smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24688362 JLSGTJDRYILORI-JSGCOSHPSA-N 358.435 1.523 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2c(s1)CCCCCC2 25024176 BERZUGSYALPSBY-ZDUSSCGKSA-N 364.467 1.911 0 40 FDAB O=C(CCNC(=O)c1ccc2[nH]nnc2c1)NCCc1cc(F)cc(F)c1 79097058 BOLAHJPIBJFOKS-UHFFFAOYSA-N 373.363 1.715 0 40 FDAB Cn1nnc(-c2cccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)c2)n1 79484578 MDJAPHXOMHHJJQ-AWEZNQCLSA-N 364.413 1.522 0 40 FDAB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCOCC1)c1ccccc1 3543411 NCPIORSCKAMNHI-UHFFFAOYSA-N 368.389 1.955 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 4496311 WYVFOASTBCRBRY-UHFFFAOYSA-N 356.400 1.789 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccs1 12602601 OSQHQSDOQUTQCE-LLVKDONJSA-N 363.464 1.534 0 40 FDAB COc1cccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 6727179 QPWGHFYPCHTRPZ-NEPXVJNWSA-N 370.449 1.862 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCN1C(=O)c3ccccc3C1=O)CS2 6944138 YLLZFRBBJIOYSA-SJKOYZFVSA-N 360.391 1.237 0 40 FDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1CCOc2ccccc21 108742093 DOBFKYWSLQZHPE-ZDUSSCGKSA-N 352.394 1.556 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)Cc1ccc(F)cc1 58185506 RYZALCHOAHSJES-UHFFFAOYSA-N 368.405 1.743 0 40 FDAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 58366512 BETISEGQXFKMSY-LBPRGKRZSA-N 362.407 1.708 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC(C)C)CC2)cc1 36383857 LWOUGBSZGDFQRJ-HNNXBMFYSA-N 353.488 1.214 0 40 FDAB Cn1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cn1 96005061 YXSZYRKCPFJQRE-OAHLLOKOSA-N 363.443 1.858 0 40 FDAB Cc1ccc(CN(CCO)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 96009088 BJJIODZEBHBRFU-QGZVFWFLSA-N 356.422 1.958 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 2636302 JUEYEPBOEWKPHQ-UHFFFAOYSA-N 352.441 1.458 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4sccc4C3)ccc21 12215303 WFTJVOLOQUAVDV-UHFFFAOYSA-N 355.419 1.970 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)cc1 100480061 NCCWJIKLDMTYLD-BETUJISGSA-N 354.428 1.814 0 40 FDAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCNC(=O)C2)cs1 12996259 LDVOIFMLQITHTE-UHFFFAOYSA-N 356.451 1.439 0 40 FDAB CN1C(=O)C[C@H](C(=O)N2CCc3c(ncn3C3CC3)C2)[C@@H]1c1cccnc1 95397154 DOGWYGHHVWOKCN-KXBFYZLASA-N 365.437 1.717 0 40 FDAB Cc1cccc(Cc2cnc(NC(=O)CN3CCC[C@H]3C(N)=O)s2)c1 72951434 CUOHKFQRHGUCSV-HNNXBMFYSA-N 358.467 1.931 0 40 FDAB CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 48792430 IJTZQLBQEFSTFF-HNNXBMFYSA-N 373.453 1.741 0 40 FDAB COC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 13494512 QBLGRWTYFRDGFV-DHSIGJKJSA-N 362.382 1.361 0 40 FDAB COc1ccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)cc1 28560229 KMEKWICOUFWDAY-UHFFFAOYSA-N 368.349 1.210 0 40 FDAB COC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 49543722 UHNVMXRISXZBOO-HNNXBMFYSA-N 367.361 1.553 0 40 FDAB biogenic CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nnc(C)o2)c1 24905077 CGCWRTRNHYKRMJ-UHFFFAOYSA-N 353.400 1.766 0 40 FDAB NC(=O)C1CCN(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 39581999 BVOLORRMIAFQHI-UHFFFAOYSA-N 362.470 1.860 0 40 FDAB COc1cc(N2CC3(C[C@H](COc4ncccc4F)CCN3C)C2)ncn1 306141506 VYKQCRZDIWDTBX-CQSZACIVSA-N 373.432 1.999 0 40 FDAB O=C(NC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccnnc1 306131236 JZCITNAEPHTBJK-CYBMUJFWSA-N 369.454 1.192 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)NC(C)C 9535935 KHTXEQYPEJNHKJ-SNVBAGLBSA-N 350.375 1.217 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 15645001 YYTTWQGIHZQKJD-RYUDHWBXSA-N 373.858 1.921 0 40 FDAB CC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1nc(N)nc(N(C)C)n1 9722753 AVGWVZVCIBLQKU-LLVKDONJSA-N 374.470 1.983 0 40 FDAB Nc1c(C(=O)CSc2nc3ccccc3o2)c(=O)[nH]c(=O)n1C1CC1 8230104 HPUWOHDBVFZMDF-UHFFFAOYSA-N 358.379 1.570 0 40 FDAB NS(=O)(=O)c1cn(CCC(F)(F)F)nc1I 408717674 NMTIISAUNQGLJA-UHFFFAOYSA-N 369.106 1.088 0 40 FDAB O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCO 96971928 IHENBYNEZPMOAT-UHFFFAOYSA-N 367.496 1.595 0 40 FDAB CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 93024947 NYVKNIPKQWMKRB-HNNXBMFYSA-N 374.441 1.895 0 40 FDAB O=C(NCc1nnc2ccccn12)C1CCN(C(=O)c2ccco2)CC1 24333393 ZCVWGBIZFOCTFV-UHFFFAOYSA-N 353.382 1.491 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@H](CO)C(C)C)C(C)C)c1 95983083 PCZIRUAHZUYIJB-IAGOWNOFSA-N 366.458 1.591 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 9953817 BOCRJIWOSFRCOJ-UHFFFAOYSA-N 368.368 1.293 0 40 FDAB O=C(NC1CCN([C@@H]2CCOC2=O)CC1)[C@H]1C[C@@H]1c1c(F)cccc1F 89768096 NLXWFLOBSLTFIO-HEHGZKQESA-N 364.392 1.964 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 548024458 DSQRLGMZHPUXMQ-UKRRQHHQSA-N 371.441 1.265 0 40 FDAB O=C(NC1CC1)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCC2 36000013 BEZSNKPYAQOTLM-HGSJOUDDSA-N 372.446 1.796 0 40 FDAB Cc1noc(C)c1S(=O)(=O)n1c(=O)cc(C)c2cn(C(C)C)nc21 36621446 HCVNCIVEVJDCFJ-UHFFFAOYSA-N 350.400 1.929 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)Cc2ccccc2)n1 224184047 GTNCPODEPQQZTD-UHFFFAOYSA-N 362.455 1.241 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCN(C)CC3)ccc21 225809888 WHSMZGNFZWVEAU-UHFFFAOYSA-N 351.472 1.358 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccc(Cl)s2)c1=O 85555772 HFNNCQPQXZMBJC-UHFFFAOYSA-N 354.741 1.746 0 40 FDAB CN(C)C(=O)COC[C@H]1CN(c2noc(C(C)(C)C)n2)CC(C)(C)O1 583616720 IASHTSQKMXWCDN-GFCCVEGCSA-N 354.451 1.456 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC(C)C)C1 96252894 URYWQTNJINDNBN-QLFBSQMISA-N 352.456 1.298 0 40 FDAB COc1c(C(=O)NCCCN(C)C)nnn1Cc1ccccc1Cl 96183570 GNCOWVWZLTZBRV-UHFFFAOYSA-N 351.838 1.670 0 40 FDAB COc1cc2nc(C)n(CCNC(=O)[C@@H]3CCCO3)c(=O)c2cc1OC 95473647 GPNMDRHUSCONFD-AWEZNQCLSA-N 361.398 1.017 0 40 FDAB O=C(c1cccs1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 96217522 SOCMZGHSECIGCC-SCLBCKFNSA-N 357.435 1.800 0 40 FDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)c4ccco4)CO3)C2)n(C)n1 248022590 INTQXCFHDGFMRK-OAHLLOKOSA-N 358.442 1.733 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)c1C 257226458 FKRQIAIRYIOEKB-AWEZNQCLSA-N 351.476 1.886 0 40 FDAB Cc1noc(C)c1CN1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 252006438 OZAYQKLHADJKBG-OAHLLOKOSA-N 371.441 1.492 0 40 FDAB Cc1cc(-c2cc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nc(C)n2)[nH]n1 257307564 SZFWGOSWRCMWCZ-LBPRGKRZSA-N 350.448 1.079 0 40 FDAB Cc1nc2ccc(C(=O)N3CCOC[C@@H](Cc4ccncn4)C3)cc2[nH]1 257216339 CUCWZLQCJSOQSJ-AWEZNQCLSA-N 351.410 1.993 0 40 FDAB Cc1ccnc([C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257252397 JUQZVJVJRKIVRU-MRXNPFEDSA-N 350.382 1.579 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)n1 257232667 GLWNTGAIQJDHNA-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCOC[C@H]1CCc1cnccn1 257268814 MNHRELRCDHSTSC-CQSZACIVSA-N 351.403 1.638 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)NCCC)C2)c1 1263722849 HOUMOLFRERFXAM-CYBMUJFWSA-N 359.426 1.895 0 40 FDAB CC1(C)C(=O)NCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 608562290 UPOYKAAPAVXNAW-UHFFFAOYSA-N 359.426 1.877 0 40 FDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N=c1[nH]c2ccccc2[nH]1 35598196 GNLICTYEDYVSQM-OAHLLOKOSA-N 363.377 1.454 0 40 FDAB biogenic C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1cccnc1)n1cnc2c(N)ncnc21 623143895 VYKIRHCEHOLAHP-QKCSRTOESA-N 353.386 1.011 0 40 FDAB O=C(c1ccnnc1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 575405002 GGVHBZVLVINCEA-BZSNNMDCSA-N 354.410 1.566 0 40 FDAB CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575403818 JXCJKWCDMURLTJ-GZBFAFLISA-N 351.472 1.783 0 40 FDAB CN(CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1cccnc1 585280565 KOCJVVMUXBFPMN-UXHICEINSA-N 353.466 1.966 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2nccn3nc(C4CC4)cc23)C1 685940936 KYWGPGZZDYAJDV-WOSRLPQWSA-N 353.430 1.702 0 40 FDAB Cc1nnsc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 49490291 MQKKMUVGTDFCOY-HNNXBMFYSA-N 363.462 1.704 0 40 FDAB CCn1cnnc1CNS(=O)(=O)c1ccccc1OC(F)(F)F 56066547 NWOUYIMSXUMSGQ-UHFFFAOYSA-N 350.322 1.675 0 40 FDAB CC1(C)O[C@H]2C(COCc3ccccc3)=C[C@@H](n3ccc(=O)[nH]c3=O)[C@H]2O1 5741963 JBSVSDSEKIKIMI-BPQIPLTHSA-N 370.405 1.755 0 40 FDAB CCN(CC)CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 11691379 WQFMTONTCDVTSN-UHFFFAOYSA-N 355.442 1.566 0 40 FDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12183207 IHXXZUFQNUFEEG-LBPRGKRZSA-N 362.393 1.415 0 40 FDAB COc1cc(C(=O)N2CCN(c3nccn3C)CC2)cc(OC)c1OC 12444475 CYNXDJIPEQEAQJ-UHFFFAOYSA-N 360.414 1.408 0 40 FDAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1 15771320 KVUFXFVDYMDJFV-UHFFFAOYSA-N 358.379 1.775 0 40 FDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 16400245 PJKAOVHQCWZPOZ-FXUDXRNXSA-N 364.829 1.867 0 40 FDAB CCOc1ccc2c(c1)c(C(=O)NCCC(=O)N1CCOCC1)c(C)n2C 19519894 BALUYBQYZXRYQB-UHFFFAOYSA-N 373.453 1.864 0 40 FDAB CCNC(=O)CN1CC2(CCN(C)CC2)Oc2cc(OC)ccc2C1=O 19529349 WHXKKDFSFKOCCV-UHFFFAOYSA-N 361.442 1.130 0 40 FDAB C[C@@H]1CCCN(c2ncc(CN3CCC4(CC3)NC(=O)N(C)C4=O)cn2)C1 19715672 PHOQYNYVGCIFAQ-CQSZACIVSA-N 372.473 1.229 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCN(c2nccn3c(C)nnc23)CC1 225798834 JFSDJCRXULZGJH-UHFFFAOYSA-N 369.429 1.319 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 5405369 KKUMIEMIQUVGEF-UHFFFAOYSA-N 353.375 1.269 0 40 FDAB O=C(c1cccc(O)n1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1147293197 DLJIYHOTKZWSEH-UHFFFAOYSA-N 367.405 1.825 0 40 FDAB COc1ccc(S(=O)(=O)NCCn2ccnc2)cc1Br 25673241 HFFQZSGAYNKCJL-UHFFFAOYSA-N 360.233 1.633 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)s1 2037985747 VBFKAYVBTOHOKM-QGZVFWFLSA-N 351.472 1.859 0 40 FDAB O=C1N(c2ncccn2)C[C@]12CCCN(c1cc(C(F)(F)F)ncn1)C2 1615101473 LXANIELPBGUDOK-OAHLLOKOSA-N 364.331 1.919 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(Cc3ccccn3)C2)C1 1565545109 DNISUVYMSSTCLL-XODKDNOYSA-N 371.481 1.415 0 40 FDAB C=CC(=O)N(CC)CC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C 1584265194 ZIIHQUHGIZDOLW-MRXNPFEDSA-N 357.414 1.979 0 40 FDAB CSc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1S(C)(=O)=O 12415075 CYYLZMMHKMJZBR-UHFFFAOYSA-N 368.484 1.846 0 40 FDAB Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 16847469 BOPGTDMRJKPUAA-GOSISDBHSA-N 374.462 1.873 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccoc2C)CC1 2055772993 HHHQOZKRGKDSPP-UHFFFAOYSA-N 360.414 1.179 0 40 FDAB O=C(CSCc1ccccc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966033 PUZVKNCDMQYHNE-UHFFFAOYSA-N 360.414 1.724 0 40 FDAB O=C(c1cc(Br)cs1)N1CC(CN2C(=O)COC2=O)C1 575614884 AGEZGAWSWSJFQG-UHFFFAOYSA-N 359.201 1.561 0 40 FDAB O=C(C[C@H](NCCN1CCOCC1)C(=O)O)Nc1ccc2ccccc2c1 22593064 QOPHVQZPIOFQHZ-SFHVURJKSA-N 371.437 1.543 0 40 FDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC2)CC1 23250612 YKKRUMOIVPKLQR-QGZVFWFLSA-N 358.486 1.562 0 40 FDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]2[C@@H](C)C(=O)[C@@H](C)[C@@H](c4ccco4)N2C(=O)[C@H]13 247858192 VEGDJTLZYKPHPF-TUQJURFOSA-N 371.389 1.499 0 40 FDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C2 40091093 MENVCMMLGZPDTL-DZGCQCFKSA-N 354.497 1.552 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)c1ccc(N2CCNC2=O)cc1 40089006 WAVOLWTXNXIKAJ-UHFFFAOYSA-N 362.393 1.727 0 40 FDAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCCn1cnc2ccccc21 40789306 LAECHCXURYOGAK-QGZVFWFLSA-N 350.378 1.942 0 40 FDAB CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 32436634 ZGVNNUHGMLXNGE-UHFFFAOYSA-N 368.427 1.057 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 32675821 FZSUFLAQJHLVHQ-KBPBESRZSA-N 362.401 1.980 0 40 FDAB COc1nc(N(C)C)nc(N(OC)S(=O)(=O)c2ccccc2Cl)n1 866565 HCZJBHSVHFHMCQ-UHFFFAOYSA-N 373.822 1.356 0 40 FDAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1 23350531 XWGHSAQUIGWDSH-UHFFFAOYSA-N 359.455 1.988 0 40 FDAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 780477 PUFXYNPBHKIRCR-UHFFFAOYSA-N 357.454 1.571 0 40 FDAB Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1-n1cnnn1 58894456 LVQNYXQWCWJEPB-INIZCTEOSA-N 356.361 1.965 0 40 FDAB O=C(NCCCn1ccnc1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4902943 MNIHWEATBZYFPL-QINSGFPZSA-N 353.382 1.782 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1 32598932 HZWWPZRULALESQ-UHFFFAOYSA-N 361.379 1.552 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 8769334 OZNVUISIDCJRQN-UHFFFAOYSA-N 355.316 1.862 0 40 FDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCc2sccc2C1 10341413 JJYJCNPKEBNNKE-LLVKDONJSA-N 365.480 1.781 0 40 FDAB O=C1NC(=O)[C@H]2[C@@H]1Sc1[nH]c(=O)sc1[C@H]2c1c[nH]c2ccccc12 100859914 YCDBVPWWHITLPH-AXFHLTTASA-N 357.416 1.797 0 40 FDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3cc(OC)ccc3n2)NC1=O 22607712 ZIPIAMHUAMFBDX-SNVBAGLBSA-N 357.370 1.024 0 40 FDAB COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1 849566 RRMZRIRFGNXEKC-UHFFFAOYSA-N 351.384 1.162 0 40 FDAB Cc1ncc(CN2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@H]32)cn1 108530278 VPDBGGPUOAYEEW-GVDBMIGSSA-N 358.467 1.752 0 40 FDAB O=C(NCCc1nnc2n1CCC2)c1ccc(OC[C@@H]2CCCO2)cc1 42502700 LCKKEPZYGCTWOC-INIZCTEOSA-N 356.426 1.755 0 40 FDAB O=C1N(CC2CC2)CCCC12CCN(S(=O)(=O)C(F)(F)F)CC2 108524583 TVSXBEAGLNTJOL-UHFFFAOYSA-N 354.394 1.951 0 40 FDAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCO)cc1 107977236 LHHULEJMIFSHCX-UHFFFAOYSA-N 364.423 1.283 0 40 FDAB O=C(Nc1cc2c(=O)[nH]c(=O)[nH]c2oc1=O)c1cccc(C(F)(F)F)c1 3041365 YCOPGLQYNHNBKL-UHFFFAOYSA-N 367.239 1.441 0 40 FDAB O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)NCc2cccs2)c1 23141407 ZHFVNBONNRQSOZ-UHFFFAOYSA-N 363.424 1.597 0 40 FDAB CCOC(=O)c1ccc(N2CCN(Cc3ccc(C(=O)OC)o3)CC2)nc1 26135952 LOKPWOOQUBHLCR-UHFFFAOYSA-N 373.409 1.960 0 40 FDAB Cc1ccccc1OCCCN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 56985568 HQABHUPAEGWGPL-UHFFFAOYSA-N 359.430 1.216 0 40 FDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 27141278 IPWWOHYBKHBAEV-OAHLLOKOSA-N 363.433 1.661 0 40 FDAB CCN(CC(=O)N1CCNC1=O)Cc1cc(Br)ccc1F 58181233 NCEKNPCZFITUJA-UHFFFAOYSA-N 358.211 1.962 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc2c(c1)OCO2 10214615 OPJZFLQHFYGTQS-UHFFFAOYSA-N 367.361 1.125 0 40 FDAB O=C(CSc1nc2ccccc2[nH]1)NCCN1C(=O)CSC1=O 3299865 KSKNWRFDMCXTIR-UHFFFAOYSA-N 350.425 1.467 0 40 FDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 58305514 ZULJEPQCUMTBPL-JKSUJKDBSA-N 359.474 1.456 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CCS(=O)(=O)C1 27977128 HPIWQNZTFXQKPT-HNNXBMFYSA-N 361.467 1.725 0 40 FDAB COc1cc2nc(CSc3nnnn3C3CC3)[nH]c(=O)c2cc1OC 8231246 NVMGSUJYRUKXGE-UHFFFAOYSA-N 360.399 1.554 0 40 FDAB O=C(Nc1cnccn1)[C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 48279354 LMMKTQNINDLKBA-ZDUSSCGKSA-N 353.382 1.693 0 40 FDAB COC(=O)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 48381961 FDXHWPQTWNQPET-UHFFFAOYSA-N 363.233 1.262 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1 6186614 PWWMCHKAAFEUQC-UHFFFAOYSA-N 352.334 1.188 0 40 FDAB COc1cc(/C=C/C(=O)O)c(S(=O)(=O)NCc2ccco2)cc1OC 4318275 FVBCHEUEDHDGBS-AATRIKPKSA-N 367.379 1.873 0 40 FDAB CC(C)n1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2c1=O 49958903 POALJFVEPOQIBR-QGZVFWFLSA-N 363.439 1.284 0 40 FDAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 14115395 NCZDGDZHVVNHBQ-MRXNPFEDSA-N 357.410 1.689 0 40 FDAB COc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)cc1 306124140 BHGLMPOMLWSNRN-MISYRCLQSA-N 367.449 1.967 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 5703393 RPQIZHJVSWYNQE-UHFFFAOYSA-N 367.471 1.668 0 40 FDAB COCc1nc([C@H]2CCCCCN2S(=O)(=O)N2CCCCC2)no1 96000622 AFYZSBNWKHUISZ-CYBMUJFWSA-N 358.464 1.864 0 40 FDAB CCOC(=O)Cc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 9327682 DWRLWTRIBCDKJI-UHFFFAOYSA-N 351.384 1.913 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 9613761 CLLKGPCVWQYNIS-UHFFFAOYSA-N 358.398 1.239 0 40 FDAB O=C(CN1C(=O)CCC1=O)OCc1nc2cc(Br)ccc2[nH]1 97164541 QMUUDPBQMHTVJL-UHFFFAOYSA-N 366.171 1.518 0 40 FDAB O=c1scc(C(F)(F)F)n1CN1CCC(CN2CCOCC2)CC1 72312384 GQFWOMGFKPSUHG-UHFFFAOYSA-N 365.421 1.930 0 40 FDAB COC[C@@](C)(O)CNC(=O)c1nnn(-c2cccc3cccnc23)c1C 72304505 XHKMZECHRHOUCH-SFHVURJKSA-N 355.398 1.251 0 40 FDAB O=C(CN1CCCC1)N1CCN(C2CCN(c3ccccc3)CC2)CC1 95457091 NXDBWVYEZQMAIX-UHFFFAOYSA-N 356.514 1.895 0 40 FDAB COCCN(CCNC(=O)c1cnn2cccnc12)C(=O)OC(C)(C)C 95453550 AXTVGAAJNGISTO-UHFFFAOYSA-N 363.418 1.343 0 40 FDAB CN1CCN(c2nc3[nH]nc(N)c3c3c2CN(C2CCCCC2)CC3)CC1 20533580 KHZDCXHQRRDACU-UHFFFAOYSA-N 369.517 1.983 0 40 FDAB CC(C)NC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335761 PAMBGVDYVGNRNF-UHFFFAOYSA-N 366.425 1.789 0 40 FDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218089965 JRGAFDLKXTYRRG-YCPHGPKFSA-N 357.497 1.905 0 40 FDAB CCCc1nc(=NC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)s[nH]1 562793657 XSLUKGUKQOMZMX-UHFFFAOYSA-N 358.489 1.488 0 40 FDAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2OC)s1 225649671 ODUYUAOKYBUCCR-UHFFFAOYSA-N 369.424 1.829 0 40 FDAB COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 223980385 TUVZRIJXBIMYEL-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB CN(c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1)S(C)(=O)=O 222413539 KRSJGTMPXAEFLO-UHFFFAOYSA-N 362.407 1.741 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccc(C)n3)CC2)O1 96243547 HUKCTRAIGDGXEM-MRXNPFEDSA-N 355.442 1.223 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cccc3c2OCO3)[C@@H]1c1ccnn1C 577636705 CVCUEGUQQGVEGE-SUMWQHHRSA-N 356.426 1.962 0 40 FDAB COc1cccc(CN2CC[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2=O)c1 96050696 AQZUHUZQAHCHGV-SFHVURJKSA-N 364.467 1.612 0 40 FDAB COc1cc(N2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)ncn1 96111182 IVFZKFYPQINHNV-KDOFPFPSSA-N 357.414 1.648 0 40 FDAB Cn1nccc1C(=O)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96218780 HDPUVSBTZKTCKN-NFAWXSAZSA-N 357.414 1.400 0 40 FDAB CCCCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccccc2)C1 96100686 DHISPCBQRWOGRS-OWCLPIDISA-N 352.456 1.844 0 40 FDAB Cc1ccc(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 242908923 GSAYPAIGKHIGKA-OAHLLOKOSA-N 374.528 1.043 0 40 FDAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)n1C 257336454 YOMLYJNKYGEGBB-CQSZACIVSA-N 363.425 1.995 0 40 FDAB O=C(NCC[C@H]1CC1(F)F)Nc1nc2c(s1)CS(=O)(=O)CC2 621474960 WPXXTKHVBWADDS-ZETCQYMHSA-N 351.400 1.781 0 40 FDAB CCCN1CC[C@H](NS(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)C1 625284013 MTSBCZBTUAJZKB-IRXDYDNUSA-N 358.479 1.787 0 40 FDAB NCc1ccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1122259003 FUFJUCMITGPACD-UHFFFAOYSA-N 351.410 1.690 0 40 FDAB Cc1ccccc1-c1cc(=NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)[nH][nH]1 644325594 ZRGWCNSXESNBAW-HNNXBMFYSA-N 351.414 1.160 0 40 FDAB NC(=O)c1cc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F 671456485 MGSBWHYWWKYDRM-WQVCFCJDSA-N 365.405 1.708 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1 36596690 LOTQOMOEKPMTDI-BZNIZROVSA-N 358.398 1.637 0 40 FDAB biogenic CN(C)CC(=O)N1CC(F)(F)C[C@@]2(CCN(c3cccnc3)C2=O)C1 585093055 DBQZDRMHZFATKG-INIZCTEOSA-N 352.385 1.234 0 40 FDAB O=C(c1ccnc(F)c1)N1CCCn2nnc(CN3CCCCC3)c2C1 585110547 DNUGTMOBGAIZEE-UHFFFAOYSA-N 358.421 1.844 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCCc3cn[nH]c3)CCO2)cc1 585278783 VFZWMKVHBRVOBP-HXUWFJFHSA-N 357.454 1.873 0 40 FDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccc(OC)c(F)c2)CCO1 585278618 PIHIQGWHQXBJGV-GOSISDBHSA-N 354.422 1.530 0 40 FDAB CCOc1cccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 592680282 DQXHLQRWPNZEEV-QGZVFWFLSA-N 369.421 1.969 0 40 FDAB O=C(O)CCSC(=S)NCCNC(=S)SCCC(=O)O 5410881 XZDBWFBHEORTNG-UHFFFAOYSA-N 356.516 1.151 0 40 FDAB Cc1cnc2c(C(=O)N3CCO[C@@H](C(=O)N4CCCCCC4)C3)cnn2c1 19747236 GTSPWKMYGZSRCF-MRXNPFEDSA-N 371.441 1.281 0 40 FDAB COC[C@@H](C)NC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C 16980996 PWMLKDAHDOCAIS-SNVBAGLBSA-N 361.446 1.273 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc2c(cc1=O)CCC2 575609607 XVJBWOIEXUYUGO-CQSZACIVSA-N 370.428 1.781 0 40 FDAB COc1ccc(N(CCC(N)=O)C(=O)COc2ccccc2C(N)=O)cc1 30023566 COCZNXZEZYTPAK-UHFFFAOYSA-N 371.393 1.082 0 40 FDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c(O)c(OC)c1 96335785 BRQHJRQXAKBVSY-CJNGLKHVSA-N 362.334 1.737 0 40 FDAB Cc1cc(N2CCN(CC3(O)CCCC3)CC2)nc(N2CCOCC2)n1 2087123176 DMUKODYSTQEAEH-UHFFFAOYSA-N 361.490 1.049 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1 1515097 SCFQJARPMPILHV-NEPJUHHUSA-N 356.831 1.832 0 40 FDAB COc1cc(OC)cc(-n2nnc(-c3nc(-c4cccnc4)no3)c2N)c1 4316719 IYTHEQGVBYGZEH-UHFFFAOYSA-N 365.353 1.979 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1 13704946 JMLIGMVPVGDDMA-UHFFFAOYSA-N 368.390 1.486 0 40 FDAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n([C@@H]2CCS(=O)(=O)C2)n1 17011645 UKHQVQSNJRCKBC-GFCCVEGCSA-N 363.395 1.532 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)C(C)(C)C)CC2)[nH]1 2055713474 UICJSCYMOXJKEJ-UHFFFAOYSA-N 358.446 1.041 0 40 FDAB CC(C)C(=O)NC[C@H]1N(C(=O)[C@@H]2CCOC2)CCCC12CCN(C)CC2 2055747547 GDSDMENEHUZOHP-IAGOWNOFSA-N 365.518 1.498 0 40 FDAB Cc1csc(C(=O)N2CCO[C@]3(COCCN(CCN(C)C)C3)C2)c1 2055815505 XXBVXKBFTSAOQA-SFHVURJKSA-N 367.515 1.162 0 40 FDAB COc1ccccc1OCC(=O)NC[C@@H](c1cccn1C)N1CCOCC1 21152543 PQJPRZQMYNFFFJ-KRWDZBQOSA-N 373.453 1.602 0 40 FDAB CN(C)c1nc(CNC(=O)Nc2ccc3c(c2)OCCO3)nc(N(C)C)n1 575608367 SQZDZWLBLZLQLJ-UHFFFAOYSA-N 373.417 1.097 0 40 FDAB C[C@H](CN(C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 19455915 OMKCYIINUUUFDC-HUUCEWRRSA-N 364.490 1.157 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCCC3=O)CC2=O)c(F)c1 40086485 HJNGNOJILDVIEH-AWEZNQCLSA-N 361.417 1.616 0 40 FDAB O=C(Cn1nc2ccccn2c1=O)Nc1ccc(-n2cccn2)c(F)c1 40152006 CWZCQYDWGCWYNQ-UHFFFAOYSA-N 352.329 1.460 0 40 FDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC2(CC1)NC(=O)NC2=O 24464978 YQDDWRQCAYYPCT-JTQLQIEISA-N 351.790 1.308 0 40 FDAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4ncnn34)C(=O)N1CC2 1384265 PKHANAXIEVXFMP-CYBMUJFWSA-N 351.366 1.437 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 25008495 PCTUWHRYHVUBGG-UHFFFAOYSA-N 363.439 1.858 0 40 FDAB Cc1ncc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)s1 78875203 UPHHSCVFCOUEFF-QWRGUYRKSA-N 363.443 1.536 0 40 FDAB CCCc1nnc(SCC(=O)N2CCOCC2)n1C[C@H]1CCCO1 1355927 DGINYBHIHLJYKN-CYBMUJFWSA-N 354.476 1.361 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c1 2710918 KHCCSPPWDHLLAM-NXEZZACHSA-N 352.412 1.521 0 40 FDAB CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 57089480 YWVSMNFJOOLTMF-KRWDZBQOSA-N 365.499 1.538 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 6327838 ZNLKZNBHVNQQHG-HNNXBMFYSA-N 354.472 1.601 0 40 FDAB CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 44835420 WIDNCJTUDVZVLV-UHFFFAOYSA-N 359.451 1.875 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58202474 HXYLCIFOVBNHJZ-ZDUSSCGKSA-N 363.845 1.822 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2nn(-c3ccccc3)nc2C)n(C)n1 10377962 UYHKMZNKDYMNDP-UHFFFAOYSA-N 354.370 1.413 0 40 FDAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)NC1CCCC1 11366878 NHMDIFFIDRDBNK-UHFFFAOYSA-N 351.476 1.601 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccccc1 11591438 CKSVPRAEYPAAAS-IBGZPJMESA-N 351.362 1.855 0 40 FDAB CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 100771201 ZVDLSJPOZVWMBQ-OWYFMNJBSA-N 369.506 1.508 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1ccc(Cl)cc1 23078923 SRUPZDDKQZMGNE-JTQLQIEISA-N 367.789 1.542 0 40 FDAB O=C(CCc1ccc2c(c1)OCO2)NCc1cccnc1-n1cncn1 47121908 JBJNZZCUURTZSL-UHFFFAOYSA-N 351.366 1.640 0 40 FDAB COc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 2927810 KVTLXSHCVVVVEL-UHFFFAOYSA-N 352.390 1.749 0 40 FDAB CN(C)C[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccccc1 12949757 OPWWGRPEUGCYEW-GOSISDBHSA-N 354.454 1.905 0 40 FDAB COc1ccccc1CN(CCO)C(=O)c1ccc2c(c1)NC(=O)CO2 63780210 IELYQIVBQGYCAV-UHFFFAOYSA-N 356.378 1.661 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)N2CCc3ccccc32)n1 5117173 FUGZHVQDABEJIV-UHFFFAOYSA-N 359.407 1.167 0 40 FDAB COCCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4392156 OQNDUYGXUGDCNR-CYBMUJFWSA-N 361.847 1.381 0 40 FDAB CSc1nnc(CCCNC(=O)c2ccc(=O)[nH]n2)n1C1CCCC1 9447911 POCPWFXRIXYBEV-UHFFFAOYSA-N 362.459 1.561 0 40 FDAB C[C@@H](CCc1ccco1)NC(=O)Cc1csc(NS(C)(=O)=O)n1 9421791 KHFGTQRTXSDGAA-JTQLQIEISA-N 357.457 1.788 0 40 FDAB O=C(NCc1nnc2ccccn12)c1ccc(OCC(F)(F)F)nc1 14166264 BZOLLNBDJZJALV-UHFFFAOYSA-N 351.288 1.995 0 40 FDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(=O)CC1 61921180 WWCKKTFATPXBLJ-UHFFFAOYSA-N 359.382 1.567 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)Cn3c(=O)n(C)c4ccccc43)ccc21 14226332 FBXILXZMLKUTGZ-UHFFFAOYSA-N 364.405 1.888 0 40 FDAB CCn1cc(C(=O)NCCC(=O)NC(C)C)c(=O)c2cc3c(cc21)OCO3 6759426 NKPVHNNYTOMDIP-UHFFFAOYSA-N 373.409 1.395 0 40 FDAB O=C(CN1C(=O)c2cccnc2C1=O)N1CCN(c2ccccc2)CC1 6721958 GZSQQZLOYBATMT-UHFFFAOYSA-N 350.378 1.026 0 40 FDAB CCN(CC)C(=O)CSCC(=O)Nc1ccc(S(=O)(=O)NC)cc1 6936413 IIZGPUIHOSEMOP-UHFFFAOYSA-N 373.500 1.135 0 40 FDAB CN1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 113958704 XFSCMIWNAFJYEU-UHFFFAOYSA-N 365.499 1.436 0 40 FDAB CCn1c([C@@H]2CCCNC2)nn(Cc2cc(OC)c(OC)cc2F)c1=O 67770873 PWHKAZKWGCMCIW-GFCCVEGCSA-N 364.421 1.736 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc2c(c1)OCO2 16023287 JAKQNMZJQIUWTK-ZIAGYGMSSA-N 358.394 1.597 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(S(C)(=O)=O)cc1 8313846 FIAMANHNUWNPDZ-UHFFFAOYSA-N 364.398 1.940 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCO2 408705786 NLTSEPXYNMQQQX-UHFFFAOYSA-N 368.455 1.830 0 40 FDAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306129829 IOHYFHJZFAZVGU-UHFFFAOYSA-N 357.414 1.490 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1cccs1 17909897 RDVVFVNUSJMBOR-NSHDSACASA-N 356.444 1.913 0 40 FDAB CCn1c(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc2ccccc21 8709747 HAYXRAXRRAXKGT-MRXNPFEDSA-N 367.496 1.842 0 40 FDAB COc1cc(CN2CCO[C@H](C(N)=O)C2)ccc1OCc1ccccc1 92735630 FKMBHANLYRIEJB-IBGZPJMESA-N 356.422 1.960 0 40 FDAB CCN(CC)C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 22309547 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Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 257332401 XXEANNUIYARJOH-KRWDZBQOSA-N 356.474 1.795 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCN1Cc1ccccc1 257250468 JMQAIICZRPOWBQ-KRWDZBQOSA-N 367.453 1.100 0 40 FDAB CCOC[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cnn(C)c1 585655724 XNWIMJBXBJQPSR-IRXDYDNUSA-N 358.442 1.169 0 40 FDAB Cc1noc([C@H]2CN(C(=O)C3=NNC(=O)CC3)C[C@@H]2c2ccccc2)n1 253472927 QQZLAWOAKWWQQD-KGLIPLIRSA-N 353.382 1.354 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cn1 257335757 YLSMGZCJSJCWJB-HXUWFJFHSA-N 369.421 1.397 0 40 FDAB C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](S(N)(=O)=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 374929383 LBJDACLGLFEPLR-SBOZNWLOSA-N 357.520 1.069 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 643850202 MNEQHDDCSXKKIR-RDTXWAMCSA-N 367.446 1.006 0 40 FDAB O=C1CN(C(=O)c2cccc(NC(=O)CCCn3cccc3)c2)CCN1 604419524 IQFCDMFQZFGYDM-UHFFFAOYSA-N 354.410 1.479 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CC1)NC(=O)[C@@H](C)O2 1615590008 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C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@H]1O 253388374 QMWJARHMJRTJMQ-HNIFWHEQSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro Cc1cc(C)cc(C(=O)OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 6841809 JJONIQNRWQIMFN-MRXNPFEDSA-N 365.451 1.638 0 40 FDAB CN(C)[C@@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 22461765 WEIOWKFIXCOMGF-KSZLIROESA-N 371.481 1.971 0 40 FDAB COC1(CC(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)CCC1 1565554132 KPWNODRNJAIFRU-ZFWWWQNUSA-N 363.483 1.828 0 40 FDAB O=C(c1cscn1)N1CCCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 1565545473 GXBJTAMIHRPWEA-UHFFFAOYSA-N 363.483 1.759 0 40 FDAB COC(=O)c1ccc(CSc2ccnc3c2c(=O)n(C)c(=O)n3C)o1 4942218 CEYVFPDMKMFGIB-UHFFFAOYSA-N 361.379 1.304 0 40 FDAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)C3CC3)c2=O)cc1 9016234 LXMIKJZMLDKFPN-UHFFFAOYSA-N 351.410 1.476 0 40 FDAB Cc1csc(C(=O)N[C@@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)c1 2055785169 REMYTRINEPYILG-PBHICJAKSA-N 365.455 1.615 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccccc1C 26455804 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10109477 SDJAEEJUZKHMNS-SNVBAGLBSA-N 356.753 1.997 0 40 FDAB Cc1ccc([C@@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)N(C)C)cc1 58264604 MRMRMWUUXVXFFZ-JKSUJKDBSA-N 370.540 1.634 0 40 FDAB CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1 58419954 NFXFNIPRXZLXMW-OAHLLOKOSA-N 366.483 1.857 0 40 FDAB COc1ccc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 25167955 WZTMJKLRSFSZBF-UHFFFAOYSA-N 367.515 1.934 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)no1 2658985 BEJGUHFSTJBUFC-NSHDSACASA-N 363.395 1.831 0 40 FDAB CCCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997466 MRMCVVQWCMUGCS-UHFFFAOYSA-N 360.457 1.222 0 40 FDAB CCCc1noc2nc(C3CC3)cc(C(=O)NCCNS(C)(=O)=O)c12 46574786 VPSFLTHLGDEJRZ-UHFFFAOYSA-N 366.443 1.332 0 40 FDAB CC(=O)c1ccc(N2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 12550862 GQQWQSYTGXOKPH-OALUTQOASA-N 367.449 1.920 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)nc2n1 5021435 JGZXCPYDAAQNFM-LBPRGKRZSA-N 365.393 1.876 0 40 FDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 6237279 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biogenic,in-vitro CC(C)NC(=O)N1CCN(C(=O)c2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 96036103 OAOLNZQSMXXFIN-SFHVURJKSA-N 362.430 1.004 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(CC1CCOCC1)C2 96050204 ZCLSNAOCICGQJY-HXUWFJFHSA-N 372.469 1.148 0 40 FDAB Cc1cnc(C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 96183547 QYVOWHNIXHRGLB-DOTOQJQBSA-N 356.401 1.902 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4ccccc4c3)C2)CN1C 247960339 DEQGAQNAUUGMRZ-KRWDZBQOSA-N 353.422 1.111 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257327542 XBTULABZPFSGHX-GFCCVEGCSA-N 356.382 1.274 0 40 FDAB Nc1cccc([C@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257257080 KOATXSNHFQSOAR-LLVKDONJSA-N 355.320 1.479 0 40 FDAB Cc1cc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)sc1C 252012790 SZEISYFNTHZZHS-CYBMUJFWSA-N 372.512 1.535 0 40 FDAB CSc1cc(C)c(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)o1 616485098 FKENUODUSGFQRI-UHFFFAOYSA-N 360.439 1.766 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 643853282 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NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)s2)cc1 4242353 GIDUPASINVPIRE-UHFFFAOYSA-N 374.827 1.844 0 40 FDAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 6880482 KLAOMZGAJFWJKI-LLVKDONJSA-N 361.423 1.783 0 40 FDAB COC(=O)[C@H]1[C@@H]2C(=O)N3[C@@H](c4ccco4)[C@@H](C)C(=O)[C@H](C)[C@@H]3[C@]23C=C[C@H]1O3 105368505 VEGDJTLZYKPHPF-WKURGRSKSA-N 371.389 1.499 0 40 FDAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 100179975 IGNOGTUSSJKHTN-RUPGSYKBSA-N 370.449 1.925 0 40 FDAB C[C@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)N1CCCCCC1 21602698 UNWKAMRUAXCBTG-ZDUSSCGKSA-N 350.390 1.890 0 40 FDAB CCCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1Cl 11566115 PJIKKDHTDIPSTE-UHFFFAOYSA-N 360.863 1.982 0 40 FDAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)CO)cc1I 41381657 XUBSZCYVFVYVNH-QMMMGPOBSA-N 362.167 1.035 0 40 FDAB CC(C)c1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccnn2C)C3)n(C)n1 100210367 YUUSUHNFMJYLCH-KBPBESRZSA-N 357.458 1.932 0 40 FDAB Cc1cc(NC(=O)CN(C)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)no1 53814709 OHCWTWRWCRNKOK-AAEUAGOBSA-N 365.434 1.258 0 40 FDAB C[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)N1C(=O)c2ccccc2C1=O 23073482 LITUUOGEEWZSPP-LBPRGKRZSA-N 361.361 1.891 0 40 FDAB Cc1occc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23325368 ADNYLWMOQHACJT-UHFFFAOYSA-N 362.430 1.979 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462456 KOCVNBNBJZXAAT-AWEZNQCLSA-N 366.425 1.479 0 40 FDAB COc1ccc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2nccn2C)cc1 12525608 LCAHYIHJNAESAD-INIZCTEOSA-N 353.382 1.042 0 40 FDAB CN(C)c1nc(N(C)C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1 3104989 RDINLJGAFXGDIW-UHFFFAOYSA-N 364.258 1.954 0 40 FDAB CC(C)CCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703979 HTOZEHPQIURJBD-ZDUSSCGKSA-N 370.471 1.775 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 3356051 KGZKFPMPUSTNGR-GUYCJALGSA-N 372.487 1.486 0 40 FDAB COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1cccs1 48237162 NFTQIVPDXQHIRL-CMPLNLGQSA-N 350.396 1.880 0 40 FDAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC1CC1 3430278 DMDDGDHYSCTWRP-GOSISDBHSA-N 366.417 1.850 0 40 FDAB Cc1cc(CN2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)on1 23187752 HVRYUXHPVGDKEX-UHFFFAOYSA-N 367.409 1.037 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1C[C@H]2OC[C@H](CN3CCCC3)[C@H]2C1 306137334 QTJXXVMCEAHAKI-IAOVAPTHSA-N 354.447 1.557 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13847124 MMNRZBINVRHIEH-UHFFFAOYSA-N 370.471 1.393 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2N1 13995563 JSUMICFMFVDWOG-UHFFFAOYSA-N 362.363 1.225 0 40 FDAB CCn1c2ccccc2c2nnc(SCC(=O)NCC(=O)OC)nc21 4509930 RLOUKLGNSWCROW-UHFFFAOYSA-N 359.411 1.381 0 40 FDAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 6509830 DPIPCPNUKOCECF-MRXNPFEDSA-N 362.426 1.994 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1F 6981700 DRKGKZUBSGWKRV-UHFFFAOYSA-N 361.398 1.571 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)[C@H]1C(=O)O 71279699 IHDCBMSLUYXDKD-KGLIPLIRSA-N 366.439 1.912 0 40 FDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(=O)NC)cc1 97013968 ULJPSTGVIIDCGF-CYBMUJFWSA-N 363.443 1.014 0 40 FDAB CN(C)C(=O)CCNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 97496296 RPMHSIFARFJDHM-UHFFFAOYSA-N 351.410 1.688 0 40 FDAB O=C1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCN1 95393513 ZFEDIRLLZYFRBA-MRXNPFEDSA-N 365.842 1.617 0 40 FDAB COC(=O)c1ccsc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 70641562 JRYVKHJVGJOMMA-AWEZNQCLSA-N 374.418 1.901 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCSCC1 71333634 LKMZVJJFRKHWLB-OAHLLOKOSA-N 362.499 1.482 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 40268314 NVGWFQSGNZZUEU-LBPRGKRZSA-N 350.382 1.787 0 40 FDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 45866111 SHVPPFGOCUYDDV-UHFFFAOYSA-N 368.436 1.849 0 40 FDAB CN(C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O 225184119 YFDXELXRGOGPGX-HZPDHXFCSA-N 370.471 1.223 0 40 FDAB COc1ccccc1-c1c2c(=O)n(CCCO)ccc2nc2nc(C)nn12 40398445 ZNSSAACYUWIHNV-UHFFFAOYSA-N 365.393 1.806 0 40 FDAB Cc1ccn(-c2ccccc2CNC(=O)N2CCOC[C@@H]2c2nc[nH]n2)n1 571641578 QBFAMZAHVVNJDG-MRXNPFEDSA-N 367.413 1.582 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@@H]3c3nnc(C)o3)cn2)n1 330345281 DZNKSPNSYJYRMP-OAHLLOKOSA-N 368.397 1.789 0 40 FDAB O=C1CC[C@@]2(C(=O)O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 95469529 GTGCWYHVZRQZMY-HXUWFJFHSA-N 374.356 1.850 0 40 FDAB COc1ccc(Br)c(S(=O)(=O)N(C)C2(CO)CC2)c1 331901374 BWRZBKIZMDULNN-UHFFFAOYSA-N 350.234 1.603 0 40 FDAB Cc1cnc(N2CC[C@@]3(C2)C(=O)N(C)CCN3Cc2cccnc2)nc1 96229616 AXIMMDBBLFIKEH-LJQANCHMSA-N 352.442 1.103 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)c3ccc(F)c(F)c3)C2)OC1 247523780 MHQUMVKHVMDZBO-NSHDSACASA-N 374.409 1.135 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](N(C)C2CCOCC2)CC1 257223262 DWOXZRDXXOGADX-HOTGVXAUSA-N 351.447 1.368 0 40 FDAB CCn1nccc1-c1cccc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257331900 XUTKZZVPYFYUQS-AWEZNQCLSA-N 363.487 1.636 0 40 FDAB CC1(C)Cc2cc(S(=O)(=O)N[C@@H]3CCC(=O)NC3(C)C)ccc2O1 585080376 CLPMWZFLOOXBNA-CQSZACIVSA-N 352.456 1.736 0 40 FDAB C[C@@]1(O)CN(Cc2ccc3[nH]ccc3c2)CC[C@H]1n1ccc(O)nc1=O 257328486 XFUZYINRZSXYRN-VQIMIIECSA-N 354.410 1.628 0 40 FDAB Cc1ccc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)nc1 253601732 DNCLPXIIJMLBMW-OAHLLOKOSA-N 364.467 1.446 0 40 FDAB CN(C)c1ncc(C(=O)N2CCCC[C@H]2c2ccn3nccc3n2)cn1 257239681 HQIQCHPBHOWATE-HNNXBMFYSA-N 351.414 1.953 0 40 FDAB C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 278342358 HAIBQXMBNNWAOK-CYBMUJFWSA-N 358.442 1.192 0 40 FDAB Cn1nccc1[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 281384325 UYEYAWXILFGEGI-KBXCAEBGSA-N 359.430 1.194 0 40 FDAB C/C=C(\C)C(=O)N1CCC[C@H]2CN(C(=O)c3cncc(OC)n3)CC[C@H]21 1775993357 YZAAJEDOCMUQRR-QUDBOTOKSA-N 358.442 1.905 0 40 FDAB CCc1ccc(F)cc1C(=O)N1CC2(CN(C)C[C@H]2c2n[nH]c(C)n2)C1 1775958081 BVXOVTCLHYRXOH-INIZCTEOSA-N 357.433 1.986 0 40 FDAB C[C@@H]1OCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H]1C(F)(F)F 622985455 ZUTILVOGJWGCJG-HZMBPMFUSA-N 370.327 1.851 0 40 FDAB Cc1cc(NC(=O)NC2(c3cc(C)no3)CCOCC2)c(N(C)C)nn1 626607437 XKCJRPSQGZZIFK-UHFFFAOYSA-N 360.418 1.975 0 40 FDAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)NCc1cc(C2CC2)ccc1F 644477481 RKSYCCNDUBBRHU-HNNXBMFYSA-N 354.447 1.438 0 40 FDAB CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 585269885 ORVUNMHRJSZTKJ-HXUWFJFHSA-N 364.486 1.371 0 40 FDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095880 RNXIQPQFFRDITK-KRWDZBQOSA-N 355.442 1.914 0 40 FDAB Cc1csc2nc(CN3Cc4ccccc4C[C@@H]3C(N)=O)cc(=O)n12 57753842 QCTHXTXQGUUIRZ-OAHLLOKOSA-N 354.435 1.477 0 40 FDAB Cc1nc2c(cc1C(=O)N[C@H](Cc1ccncc1)C(=O)O)c(C)nn2C 655600487 HXPCVHSHOBZVCZ-OAHLLOKOSA-N 353.382 1.406 0 40 FDAB COC(=O)c1ccc(F)c2c1CN(C(=O)NCCCCC(=O)O)CC2 599864326 NXGPBDJMSIOKDG-UHFFFAOYSA-N 352.362 1.935 0 40 FDAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCCN(C)C)no1 15673353 LMBLAROLURFRID-HOTGVXAUSA-N 350.507 1.853 0 40 FDAB biogenic,in-vitro CCOC(=O)CCc1c(C)[nH]c2[nH]n(-c3ccc(OC)cc3)c(=O)c2c1=O 17076067 FUUXGEZZSYYKCZ-UHFFFAOYSA-N 371.393 1.820 0 40 FDAB C[C@H]1CCCCN1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19496344 AKUAVLAEVFBKNY-JKSUJKDBSA-N 357.502 1.703 0 40 FDAB Cc1c(C(=O)OC(C)C)sc2ncnc(N3CCN(CCO)CC3)c12 19793933 KIMPAZZGRPNUQY-UHFFFAOYSA-N 364.471 1.679 0 40 FDAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)NCc2ccco2)n1 5926527 RKMSLUODESMHGR-UHFFFAOYSA-N 361.471 1.538 0 40 FDAB Fc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 782925 RUPKFUIDMWDBFV-UHFFFAOYSA-N 360.393 1.428 0 40 FDAB Cc1cc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)ncn1 1888866657 ZDMJVUSNXHTDQQ-CALCHBBNSA-N 358.467 1.683 0 40 FDAB O=C(c1cnn[nH]1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888909584 BTGNQYUUJHRNQV-GJZGRUSLSA-N 361.409 1.470 0 40 FDAB COc1cccc(S(=O)(=O)N2CCN(Cc3cnoc3C)CC2)c1 238820859 CPSOBNXYIRRTQK-UHFFFAOYSA-N 351.428 1.498 0 40 FDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)no1)CC2 238920080 SXRLWAWQTAFOQO-ZDUSSCGKSA-N 365.393 1.252 0 40 FDAB COc1cc(C(=O)N2C[C@@H](C)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)on1 1614932711 BPVZEGPPCCNABT-BFUOFWGJSA-N 370.409 1.589 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)CC4(O)CCC4)C[C@H]32)cs1 1565548282 WYPIKFRBJBINKR-CABCVRRESA-N 351.472 1.168 0 40 FDAB CCOC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256399 ISGSVAZQAHTKJM-UHFFFAOYSA-N 371.376 1.628 0 40 FDAB O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 10619291 WUIFFJCDASNWLL-UHFFFAOYSA-N 358.463 1.950 0 40 FDAB COc1cccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2)c1 2055713771 JSLUEBHOVUOPBR-UHFFFAOYSA-N 355.486 1.655 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(c2ncc(F)cn2)CC1 2055750951 QBVKTZJCSBKBFL-UHFFFAOYSA-N 359.405 1.821 0 40 FDAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1c(C)noc1C 225711879 PNEANOYLXPROGU-KRWDZBQOSA-N 366.439 1.802 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cc(-c2ccc(F)cc2)[nH]n1 575621226 ZYXGAQVGAUTDNQ-UHFFFAOYSA-N 374.372 1.111 0 40 FDAB Cn1c(O)nc(N2CCC[C@H](COc3ncccc3Cl)C2)cc1=O 2298181557 ARJUSLBJWSRDGR-NSHDSACASA-N 350.806 1.830 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1 22934767 FZGQARYTIXVFDO-SFHVURJKSA-N 372.513 1.870 0 40 FDAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1cccc(NS(C)(=O)=O)c1 40107025 YGLOGEVVRLEPDD-GFCCVEGCSA-N 373.438 1.680 0 40 FDAB Cn1cc(-c2nc(C(=O)NCc3ccc(-n4cncn4)nc3)cs2)cn1 40154690 APZGKECLMCOZQT-UHFFFAOYSA-N 366.410 1.449 0 40 FDAB Cc1cc(=O)c(C(=O)NCC(=O)NC2CC2)nn1-c1ccc(Cl)cc1 7845099 ULZKHHOLEGLQGQ-UHFFFAOYSA-N 360.801 1.203 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)OC)cc2)c2ccccc2O1 7826527 NDSHNXBNHQLBHS-MRXNPFEDSA-N 354.362 1.627 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 951736 YOLOFISUIIPWFO-PTRXPTGYSA-N 352.334 1.874 0 40 FDAB CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31610522 PHFINIZVSLADAH-CABCVRRESA-N 372.874 1.553 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)nn12 7974605 BHWMNOPIFOQEQB-UHFFFAOYSA-N 356.411 1.724 0 40 FDAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 51467152 RPUMFSFXEMRSSK-OAHLLOKOSA-N 356.463 1.935 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 7580955 KWNKFJBFDVJSBL-UHFFFAOYSA-N 358.350 1.355 0 40 FDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1 29028751 GHMIQZSNLHMOEZ-UHFFFAOYSA-N 356.429 1.866 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(N)=O)CC2)cc1 8719306 HFUYAFGNSWIIEP-LBPRGKRZSA-N 361.398 1.550 0 40 FDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 32916584 AERVEPZASZQDFA-ZDUSSCGKSA-N 356.492 1.386 0 40 FDAB O=C(c1ccccc1O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 102823680 SIICBSFAKJRPQK-UHFFFAOYSA-N 364.409 1.326 0 40 FDAB COc1ccc(CCN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1OC 101370628 FVDHBXQOSUJIFW-DEWZPKMOSA-N 359.378 1.113 0 40 FDAB CCNC(=S)N1CCC(N[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100436572 GFKQJKJRRKRIQI-HNNXBMFYSA-N 360.483 1.267 0 40 FDAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1OC 58231365 BLBKGADFDVQWOX-CYBMUJFWSA-N 351.428 1.963 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3F)C2=O)o1 58215102 IWCAWAGHCJDLBQ-SFHVURJKSA-N 359.357 1.811 0 40 FDAB COc1ccc(CCN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC 16700950 XKQALQNYFSTKJQ-UHFFFAOYSA-N 353.444 1.907 0 40 FDAB COCCOc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 48394118 RWWJZHFMLFPITB-UHFFFAOYSA-N 364.423 1.440 0 40 FDAB COc1ccc(CCNC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 3497761 INJKEIGHXQETOE-GOSISDBHSA-N 371.389 1.737 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1 3524071 HSKMKIOZBDMTGM-UHFFFAOYSA-N 361.423 1.904 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc1 48764604 YQQZARWSPZXYMI-OAHLLOKOSA-N 374.418 1.669 0 40 FDAB O=C(CCn1nc(-c2cccs2)oc1=O)NCc1cn2ccccc2n1 8279429 FDANEBDBYJNOFF-UHFFFAOYSA-N 369.406 1.919 0 40 FDAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)n1 408622149 OJJZCLOWXNJPIQ-VMPITWQZSA-N 364.862 2.509 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccccn1 13735761 HDIJXNPEPZVKEO-UHFFFAOYSA-N 350.378 1.433 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)cc1 5212629 DMXILNGLHIGUTK-UHFFFAOYSA-N 370.405 1.675 0 40 FDAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6362710 JWATXLHYIHXGFN-WXJAXGNASA-N 369.464 1.268 0 40 FDAB O=C(c1ccccc1)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 14139028 QYRZAYDATRARCH-UHFFFAOYSA-N 362.389 1.521 0 40 FDAB COc1ccccc1CCNC(=O)CNC(=O)NCc1ccc(F)cc1 14482506 ZUOCYTSEWMIXAO-UHFFFAOYSA-N 359.401 1.992 0 40 FDAB Cc1nn(CC(=O)NCC2CCCCC2)c(C)c1S(=O)(=O)N(C)C 6604989 MOEJEXFQGGSTGG-UHFFFAOYSA-N 356.492 1.447 0 40 FDAB Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CCN(CCO)C2 69894480 DDRNCPHTVMXTSY-UHFFFAOYSA-N 371.485 1.702 0 40 FDAB Cn1c(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nc2ccccc21 9467803 NOUXWQUTBVHTTE-UHFFFAOYSA-N 356.407 1.546 0 40 FDAB C[C@@H](C(N)=O)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 75107050 XYDPXQXZENCXOU-ZDUSSCGKSA-N 352.442 1.023 0 40 FDAB C[C@]1(n2cc(CNC[C@@H](O)c3ccc(F)cc3)cn2)CCS(=O)(=O)C1 84673590 UAOJVRPWFYIHLA-SJORKVTESA-N 367.446 1.379 0 40 FDAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@H](C)CCO 84637351 FYSWSIPLKQMAEE-TZMCWYRMSA-N 354.472 1.434 0 40 FDAB CN(CC(=O)N[C@@H]1CCC[C@@H]1CO)S(=O)(=O)c1ccc(Cl)cc1 79096773 CEFJNHAPOHNSTG-BXUZGUMPSA-N 360.863 1.238 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 79020006 SQAOWXDIUVTZLL-IRXDYDNUSA-N 367.405 1.149 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)CC(F)(F)F)CC3)C2=O)cn1 95961343 LWBSAEURIMDPMX-ZDUSSCGKSA-N 373.379 1.012 0 40 FDAB CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 24578850 BGZFOSSKSPCMJL-UHFFFAOYSA-N 356.444 1.246 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1 28202862 CNPPOKPIDHDSDO-UHFFFAOYSA-N 356.488 1.802 0 40 FDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1)c1ccc2c(c1)OCO2 67870741 AOSNVAMEIRVCAQ-RYQLBKOJSA-N 371.481 1.951 0 40 FDAB biogenic,in-vitro O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 547548646 NZTSXEGRLXHVAC-DGCLKSJQSA-N 371.411 1.006 0 40 FDAB COc1cc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)ccc1Cl 32647256 DFECSHFAANLYGN-UHFFFAOYSA-N 361.789 1.739 0 40 FDAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1OC 72227677 GKHIIJWFRSSHBW-MSOLQXFVSA-N 356.378 1.890 0 40 FDAB Cn1c(=O)[nH]cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1=O 70634701 BQHVIQQPXVLYHE-UHFFFAOYSA-N 367.390 1.702 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCC2)c(Cl)c1 216368941 PLDQPHCRUXNMHA-UHFFFAOYSA-N 359.879 1.927 0 40 FDAB Cn1cc(-c2ccc(=O)n(Cc3cccc(CN4CCOCC4)c3)n2)cn1 567158566 SFOKRYCTMXIKLY-UHFFFAOYSA-N 365.437 1.524 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 47030247 GNKTZBADRDPCHJ-CYBMUJFWSA-N 365.407 1.822 0 40 FDAB C[C@H](C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 571446203 ZJFWRZKHRKYVMI-WMLDXEAASA-N 354.406 1.751 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc(-c2ccco2)on1 225796541 PQGJVERCAWYZIH-UHFFFAOYSA-N 351.322 1.470 0 40 FDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 332048010 LEOJOKCWBGXYBX-CVEARBPZSA-N 361.490 1.787 0 40 FDAB Cn1ccnc1CN1CCC[C@@]2(COCCN(Cc3ccccn3)C2)C1 96229312 FMCWRROKFGDGAW-HXUWFJFHSA-N 355.486 1.930 0 40 FDAB Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cccnc4)CCN3C2)n1 96183453 ZFBOCOORUONADS-RBUKOAKNSA-N 352.438 1.901 0 40 FDAB Cn1cc(CN2CCC[C@]3(COCCN(Cc4ccccn4)C3)C2)cn1 96229311 DHZNZGVRVUVBTL-FQEVSTJZSA-N 355.486 1.930 0 40 FDAB Cc1cccc(C(=O)N2CCn3cc(CNC(=O)CC4CC4)nc3C2)n1 96059454 VWEUSLUUFRHSFJ-UHFFFAOYSA-N 353.426 1.659 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 257242095 IBCBUKHACLXQSM-LBPRGKRZSA-N 352.485 1.876 0 40 FDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 257309730 UCDXZICDDJUHAU-HNNXBMFYSA-N 356.474 1.892 0 40 FDAB COC(=O)[C@](C)(Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O 255188958 MUHTUGOSYXXGKJ-KRWDZBQOSA-N 351.355 1.148 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 257297754 RIRSOEMQVRZNRS-LBPRGKRZSA-N 354.432 1.024 0 40 FDAB O=C(O)CCNC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1 253387982 OCGXWNOFCVTCFH-JOCQHMNTSA-N 360.414 1.371 0 40 FDAB O=C(NC1CCN(c2ncccn2)CC1)[C@]1(O)CCc2ccccc2C1 585080909 NYFIBRRMPWMERR-FQEVSTJZSA-N 352.438 1.482 0 40 FDAB CN(C)C(=O)c1cc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)ccn1 607212663 XGRZEJDOOMKMTN-UHFFFAOYSA-N 359.430 1.306 0 40 FDAB Cc1ccccc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1 630656379 QPUQOZFOHBFBNZ-DLBZAZTESA-N 356.426 1.809 0 40 FDAB Cc1cccc(CN2CCN([C@H]3CCCCN(CC(=O)O)C3=O)CC2)c1 643874577 ZJRYEJPLAHFMSW-SFHVURJKSA-N 359.470 1.578 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccccc2Br)C1 644000490 MLLSGEBQYXBIFV-OAHLLOKOSA-N 355.232 1.221 0 40 FDAB Cc1ccc(C2CCN(C(=O)[C@H]3Cn4c(C)nnc4CN3C)CC2)cn1 644418039 UDQBOGKGYUSOJQ-QGZVFWFLSA-N 354.458 1.510 0 40 FDAB CO[C@](C)(C(=O)O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 663026148 MMODZANAXAYKTM-HNNXBMFYSA-N 360.332 1.844 0 40 FDAB CCC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 1775997137 WUVJLIJWFMNLRG-HNNXBMFYSA-N 369.465 1.845 0 40 FDAB O=C(Cn1ccc(C2CC2)n1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585278716 RHQLNYPOYRDWGJ-FQEVSTJZSA-N 355.438 1.593 0 40 FDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2c[nH]c3ccc(OC)cc23)C1 585279017 RXUKRIVDSNIUBN-LJQANCHMSA-N 359.426 1.670 0 40 FDAB Cc1ccn2cnc(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)c2c1 685942558 OUURHOWEHRPAMT-GZBFAFLISA-N 354.414 1.056 0 40 FDAB O=C(NCc1ccn(C2CCCC2)n1)c1coc(CN2CC[C@H](O)C2)n1 685944030 XAKZVBADXRVYQW-HNNXBMFYSA-N 359.430 1.483 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCc2cccc(Br)c2C1 95960271 PFYAPMVCAFOVOP-UHFFFAOYSA-N 361.261 1.384 0 40 FDAB Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](c4ccccc4)[C@H](O)C3)nc2n1 13225766 DVDOXFKFEJBHQH-DLBZAZTESA-N 365.437 1.661 0 40 FDAB O=C(C1CC1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 13266593 TYFJNUWAJBLLHI-UHFFFAOYSA-N 361.829 1.813 0 40 FDAB CCOC(=O)c1c[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)nc1=O 14162997 MYZCPSAEJOLHFT-UHFFFAOYSA-N 362.817 1.927 0 40 FDAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc2[nH]c(=O)oc2c1 19346188 XINLQQJVPFIHKS-UHFFFAOYSA-N 359.411 1.338 0 40 FDAB CCN1CCN([C@@H](c2ccccc2OC)c2nnnn2CCOC)CC1 19528099 WMLPEATVXVZCKO-KRWDZBQOSA-N 360.462 1.055 0 40 FDAB Cc1cc(C)n(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(=O)n1 19658249 UYTXULCWCUKIFC-UHFFFAOYSA-N 369.425 1.469 0 40 FDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)CN(C)C)C1 19696022 IVSDQHMHHRRLNQ-HXUWFJFHSA-N 370.453 1.410 0 40 FDAB CC(=O)N[C@H]1CN(Cc2cnc(C(C)C)nc2)C2(CCN(C(C)=O)CC2)C1 19704104 BRKDPDKFAUORHN-GOSISDBHSA-N 373.501 1.692 0 40 FDAB CN(C)c1ncccc1CN1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765746 PCOOFEXXFSIKOQ-UHFFFAOYSA-N 354.458 1.603 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CC[C@H](n2ccnn2)C1 206935493 NBJYAQQBRGNWDH-JTQLQIEISA-N 357.233 1.676 0 40 FDAB CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 598071 FUXVKZWTXQUGMW-HXUWFJFHSA-N 363.373 1.662 0 40 FDAB biogenic,in-vitro O=C([C@H]1CCOC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742683 OMMRSAMQIWBENR-AWEZNQCLSA-N 355.442 1.293 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC[C@@H](C)C2)n1 9037503 HZVWMZRUSLDFDC-LLVKDONJSA-N 372.429 1.023 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4n[nH]cc34)C[C@H]2C1 1888926475 WRUFJMMAYJVPEW-STQMWFEESA-N 370.438 1.110 0 40 FDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(OC(F)(F)F)cc1 1255832239 UZKJBZYBWKBTIW-UHFFFAOYSA-N 374.344 1.542 0 40 FDAB Cc1nnc2c(N3CCC(N(C)c4ncc(Cl)cn4)CC3)nccn12 1889138771 LHIVZNIBQHWSQN-UHFFFAOYSA-N 358.837 1.981 0 40 FDAB O=C1CN(C(=O)CCn2nc(O)c3ccccc3c2=O)c2ccccc2N1 22903023 FTXBDEGURJHFRR-UHFFFAOYSA-N 364.361 1.478 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 29362140 WJMMMZXCPMTQCY-VQIMIIECSA-N 371.481 1.535 0 40 FDAB Cc1c(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cnn1C 2037978491 YWYBMIPNOXJWSF-HXUWFJFHSA-N 368.437 1.624 0 40 FDAB CN1CCN(Cc2cnn(C)c2)C[C@H](Cc2ccnc3cccnc23)C1 2037838289 AWKPLQPHADHKLB-MRXNPFEDSA-N 350.470 1.970 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)Cc1ccc(F)cn1)CC2 1565552612 PJSJMKIVAILEKI-UHFFFAOYSA-N 357.385 1.881 0 40 FDAB COc1cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)on1 1565551828 WCQLWLIXUJZUNI-IFXJQAMLSA-N 371.393 1.150 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cccn(C)c4=O)C[C@@H]3C2)cs1 1565542676 IMPQHHSQTQNXAN-KBPBESRZSA-N 358.467 1.354 0 40 FDAB COc1ccc(Cl)cc1C(=O)N(C)C1CN(c2ccc3nncn3n2)C1 1565520433 TXVXENDCKVJNCE-UHFFFAOYSA-N 372.816 1.747 0 40 FDAB COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC 12759350 UBISCKOBWFDSFS-GDNBJRDFSA-N 366.402 1.778 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCN4CCCC4)C3=O)C2)cn1 2055713243 LHLXMHDQYAJPSP-IIBYNOLFSA-N 370.497 1.796 0 40 FDAB O=C(CCc1ccc[nH]1)N1CC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 2055796033 NMQUSYDPMUZRMM-FQEVSTJZSA-N 368.437 1.486 0 40 FDAB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2cccn2C)CC1 21154958 YEPRVRQXVHYLJQ-SFHVURJKSA-N 362.499 1.292 0 40 FDAB O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)N1CCCC1 49410811 UVBMHOYDDNJIIL-UHFFFAOYSA-N 356.361 1.396 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 954855 DAIIPULMQBULSD-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB COC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 585302007 HUZGGUJJIOYGPZ-UHFFFAOYSA-N 364.423 1.360 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCOCC2)cc1 24045851 MFSIECBTTKHVSW-CYBMUJFWSA-N 355.460 1.033 0 40 FDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cn1 40105652 JDJKKKTWCBULLF-ZDUSSCGKSA-N 350.448 1.264 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 24854841 CNJQDQIHCNBIEU-GUYCJALGSA-N 365.430 1.677 0 40 FDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)NC1CCCC1 932480 OVIIXQPXFPVXGF-UHFFFAOYSA-N 361.427 1.584 0 40 FDAB COc1ccc(S(=O)(=O)NNC(=S)NC(=O)c2ccccc2)cc1 2196012 ZHIKMPCYFTVQCX-UHFFFAOYSA-N 365.436 1.193 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)NC(N2CCOCC2)=N1 2227369 DSNKIGLAVFZCKC-GFCCVEGCSA-N 371.224 1.509 0 40 FDAB Cc1nnc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)s1 4393264 WUAXYCQUAVWMLP-LNGZZDABSA-N 371.415 1.182 0 40 FDAB COc1ccc(-c2csc3ncnc(N4CCN[C@@H](C(N)=O)C4)c23)cc1 57398772 FETSKWYNFHRMKR-CQSZACIVSA-N 369.450 1.630 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4559889 IHIIXTOFXQNUHT-QUSNUVHPSA-N 351.399 1.116 0 40 FDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 6204481 JCZPWIQDRYOGFM-ZDUSSCGKSA-N 370.471 1.631 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nc(N2CCOCC2)ncc1Cl 44404158 MRPZIQIZNRJYGO-GFCCVEGCSA-N 370.837 1.284 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 7805559 XEQZSEYGFHDWFV-INIZCTEOSA-N 366.483 1.624 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 7975704 MBEFKUDSSJXSDD-NSHDSACASA-N 360.863 1.714 0 40 FDAB COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)cc(OC)c1 8990368 CNFKCSBCVBMLNN-FUHWJXTLSA-N 363.435 1.983 0 40 FDAB COC(=O)[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(C)C 2111552 FPCMGCJRDLHNDM-WOSRLPQWSA-N 363.483 1.340 0 40 FDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCO[C@@H](c2ccccc2)C1 58441322 ONBDZBJMJRLKAA-CQSZACIVSA-N 352.350 1.237 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 46081799 XNIRRVADEZJOJP-ZWKOTPCHSA-N 372.465 1.879 0 40 FDAB COc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(C(C)C)C1=O 12407906 ZTJBDVRKTZLVIJ-UHFFFAOYSA-N 355.416 1.123 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 22786162 JWQKLQWDZAXNHG-INIZCTEOSA-N 358.486 1.527 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C)c(O)n2)c1C 12947617 WZYACWDQUQZVPF-VIFPVBQESA-N 350.400 1.981 0 40 FDAB CCOC(=O)C1=C(Cn2c(=O)c(C)nc3ccccc32)NC(=O)N[C@@H]1CC 12985812 MMXXEWOMQWCZBA-GFCCVEGCSA-N 370.409 1.614 0 40 FDAB COC(=O)CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 24621518 YLTLBHLWTRLLPS-UHFFFAOYSA-N 373.375 1.825 0 40 FDAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 6083156 PSXVETWQEZQFON-OAHLLOKOSA-N 357.435 1.870 0 40 FDAB Cc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 4351720 QQOWUJIOZSJPNE-ATVHPVEESA-N 361.426 1.958 0 40 FDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4495987 OJSSZKAHELBKDG-ZDUSSCGKSA-N 371.368 1.844 0 40 FDAB CCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4485904 XFGAENRIBIKASE-GFCCVEGCSA-N 367.496 1.999 0 40 FDAB CC(C)CN1CCO[C@@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 14121714 IOWNBMYWSNTUEY-HNNXBMFYSA-N 372.469 1.329 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2[C@H](CC1)CCN2C(=O)c1ccnnc1 306133968 NAKFUFBJKOAGMN-CJNGLKHVSA-N 352.398 1.034 0 40 FDAB COC(=O)COc1c(OC)ccc(S(=O)(=O)NC(C)(C)C)c1OC 4727420 HMIGXIFAHWAPRK-UHFFFAOYSA-N 361.416 1.332 0 40 FDAB O=C1CN(C(=O)COc2cccc(-n3cnnn3)c2)c2ccccc2N1 5672479 LJCPGCTUOWAJBX-UHFFFAOYSA-N 350.338 1.026 0 40 FDAB Cc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6790415 SXEMERVSXXVWKD-UHFFFAOYSA-N 365.411 1.565 0 40 FDAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1nncs1 4816339 UTTMPTOYTNVSED-UHFFFAOYSA-N 362.440 1.976 0 40 FDAB CC(C)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4943433 DXQMYHABQABRLM-UHFFFAOYSA-N 369.425 1.586 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(C)=O)c2ccccc2O1 7253647 HKXSEKSYYAYAHM-GOSISDBHSA-N 367.405 1.841 0 40 FDAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 15905587 MYRUJLQRUFUBIV-IPJQOSJUSA-N 357.391 1.657 0 40 FDAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2nccnc2N)cc1 7982142 BROKIXGDBIKSRK-UHFFFAOYSA-N 358.354 1.421 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1CCCCCC1 8132879 OMWPTZUBRHECCA-UHFFFAOYSA-N 357.410 1.816 0 40 FDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(CC(=O)NC2CC2)CC1 96908299 BJWIHOBTQLNUIJ-INIZCTEOSA-N 362.518 1.278 0 40 FDAB Cc1nc(C)c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 95998858 JNPUBCGKKHPGEQ-CYBMUJFWSA-N 373.500 1.027 0 40 FDAB N[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 91545033 IQFLCLNMEOIDGD-WCQYABFASA-N 353.264 1.620 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1cccs1 18208879 QXIOTJARALUHRD-UHFFFAOYSA-N 368.436 1.593 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2F)cc1 8945111 RKGZLLXJHQVAJL-UHFFFAOYSA-N 350.415 1.847 0 40 FDAB COCCn1nc(C(=O)N2CCCN(Cc3ccccc3)CC2)ccc1=O 22611110 DGTLZPHAYMROFY-UHFFFAOYSA-N 370.453 1.238 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)C[C@H](c2ccsc2)n2cccc2)CC1 524732959 FYMXEDKOORPPII-OAHLLOKOSA-N 367.496 1.633 0 40 FDAB COC(=O)c1cn([C@@H](Cc2ccc(OC)cc2)C(=O)O)cc2c(O)nnc1-2 524730785 XFLKSYHBRBWCKL-AWEZNQCLSA-N 371.349 1.752 0 40 FDAB biogenic COc1ccc2[nH]cc(C(=O)CN3CCN(c4ncccn4)CC3)c2c1 36743712 KCWBOLBDHQRDAV-UHFFFAOYSA-N 351.410 1.971 0 40 FDAB COCCCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 217601971 DNDWSXPRBWRWIP-UHFFFAOYSA-N 368.411 1.905 0 40 FDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)N(C)C)cc1 40267330 GGILLFUZYLHLCD-QGZVFWFLSA-N 357.410 1.758 0 40 FDAB O=C(Cn1cnnn1)N1CCN(Cc2ccsc2C(F)(F)F)CC1 529564906 GQQHNZUCVKOOIT-UHFFFAOYSA-N 360.365 1.098 0 40 FDAB CC(C)(NS(=O)(=O)N1CCC[C@@H]1C(=O)O)c1nc2ccccc2s1 530152538 QWPRJPPZPPLESC-LLVKDONJSA-N 369.468 1.915 0 40 FDAB COc1cccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 42668427 AYZBPLLUPLZXTN-UHFFFAOYSA-N 369.464 1.919 0 40 FDAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(N)cc1 96520814 OGPHSICPUBZOAO-MRVPVSSYSA-N 373.066 1.790 0 40 FDAB CC(C)CN1C[C@H]2CCN(C(=O)c3ccccn3)CC[C@H]2S1(=O)=O 96145614 KLNAKXOLKYRCIH-GDBMZVCRSA-N 351.472 1.604 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(CN(c3ccccc3)C(=O)CN2C)C1 96230439 OPAOWMWXTJUNAU-QGZVFWFLSA-N 351.472 1.149 0 40 FDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247805463 AUECEFYBZYURAB-ZDUSSCGKSA-N 358.373 1.711 0 40 FDAB Cc1ncsc1CN1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248042717 PHDXLMUCFINYMK-CQSZACIVSA-N 356.513 1.867 0 40 FDAB CCN1CCN([C@@H](C)CNC(=O)c2sc(-c3ncccn3)nc2C)CC1 586764156 VUFAXJRHCOSLOO-ZDUSSCGKSA-N 374.514 1.664 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccccc2-n2cnc(CN(C)C)c2)CC1 257272464 NCNBBNNSUBOTQB-UHFFFAOYSA-N 355.442 1.238 0 40 FDAB C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@H]1n1cnc2c(N)ncnc21 257303660 SIDGMABVJKIPJH-FZKQIMNGSA-N 352.398 1.247 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@@H](Cc2cccn3nccc23)C1 257302502 SDDSJVKHXXIWSN-GOEBONIOSA-N 359.426 1.587 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cocn2)C3)n1 253601546 TWBDBGHAZXTFJS-AWEZNQCLSA-N 358.398 1.863 0 40 FDAB Cc1nn(C)c(C)c1-c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 257271490 MYOIEBRUTBKJAM-UHFFFAOYSA-N 363.487 1.708 0 40 FDAB COc1cc(NC(=O)CN[C@H]2C[C@H](O)C23CCC3)cc(OC)c1OC 661832752 IFVYCBIMPHPLKN-GJZGRUSLSA-N 350.415 1.544 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1 36596693 LOTQOMOEKPMTDI-BDJLRTHQSA-N 358.398 1.637 0 40 FDAB biogenic Cc1nnc2ccc(NCCn3nc(-c4ccc(F)cc4)ccc3=O)nn12 1775973292 LUMJXNUHMOHZJL-UHFFFAOYSA-N 365.372 1.908 0 40 FDAB CNc1ncc(CN2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)cn1 585275844 FXDLLHNPEXYGLI-NVXWUHKLSA-N 355.442 1.663 0 40 FDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103047461 LAAPLUULLFJXTK-STQMWFEESA-N 354.410 1.697 0 40 FDAB CCOC1CC(CNc2nccc3c(O)ncnc23)(N2CCOCC2)C1 516785682 SEHKDELRTPXEEK-UHFFFAOYSA-N 359.430 1.412 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2occc2Br)C1 81665353 ZMKRDUHITBBCTL-SECBINFHSA-N 365.249 1.444 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@@](O)(COc3ccccc3C)C2)cn1 1615142924 DYERDLIRADTDNE-LJQANCHMSA-N 357.410 1.376 0 40 FDAB COc1ccc(CCN[C@@H](CC(=O)Nc2cccnc2)C(=O)O)cc1OC 5258822 HBKZNWQIAQMNBW-HNNXBMFYSA-N 373.409 1.713 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)Nc1nncs1 12086844 GAYVGKJYACNMNP-UHFFFAOYSA-N 374.422 1.561 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268085 KADDUEPKNXCZDI-HNNXBMFYSA-N 355.398 1.524 0 40 FDAB CC[C@H](C(=O)NCCCN(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716863 FHHFVQGXJGWRNU-QGZVFWFLSA-N 369.531 1.916 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 14162896 FXOLBQXCYHZAPZ-IPCMGAPVSA-N 351.443 1.497 0 40 FDAB CCc1cc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)n(C)n1 19522164 YYEOEEZJLUXTEA-UHFFFAOYSA-N 370.457 1.244 0 40 FDAB COc1cccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1 19564450 KYHUXGWSVYUMPQ-HNNXBMFYSA-N 352.438 1.690 0 40 FDAB COc1ccccc1N1CCN(Cc2cnn3cccnc23)[C@H](C)C1=O 19715806 SMDXDTDRMJOTIC-CQSZACIVSA-N 351.410 1.975 0 40 FDAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCn3ccc(C)n3)C2)c1 19750259 FQSIXSTZSKKFBS-INIZCTEOSA-N 356.426 1.479 0 40 FDAB CN(C(=O)Cc1nonc1N)C1CCC2(CC1)CNCc1ccccc1O2 19586722 MDYWLIPLUCJZGC-UHFFFAOYSA-N 371.441 1.516 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)nc(O)c1F 1888853674 JYVKHNTVPQLJQL-CHWSQXEVSA-N 364.421 1.205 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1N1CCOCC1 23732613 DBNCJGGZUCMTAL-UHFFFAOYSA-N 367.405 1.664 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25556409 IHCNCPIZRNMLJR-HNNXBMFYSA-N 353.444 1.075 0 40 FDAB O=C(Cn1cccn1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037839892 DOTHBZVXNSOKPE-UHFFFAOYSA-N 372.400 1.447 0 40 FDAB COCCNC(=O)c1cnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 1565550239 VGTQYQYTHPBHNE-UHFFFAOYSA-N 356.373 1.037 0 40 FDAB COc1cc(C(=O)N2CC[C@@]3(C[C@H](Nc4ccccn4)CCO3)C2)on1 1565551312 OPGONUGYJHEVJB-FZKQIMNGSA-N 358.398 1.954 0 40 FDAB CC(C)CNC(=O)c1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565546246 WMCANLJUGNZAOY-UHFFFAOYSA-N 357.458 1.962 0 40 FDAB Cn1cnc(C(=O)N2CCCn3ncc(C(=O)Nc4ccccc4)c3C2)n1 1565545737 MXDCWEOSBLMLPC-UHFFFAOYSA-N 365.397 1.310 0 40 FDAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccncc3)n2)cc1 9844113 INUQTHANDMXRRM-UHFFFAOYSA-N 350.378 1.744 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3cccs3)o2)CC1 13704957 BLVFJZWZMGTHAL-UHFFFAOYSA-N 356.429 1.408 0 40 FDAB CCOc1ccc(OCC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 17308063 LOMQUZBOCMABBL-UHFFFAOYSA-N 371.372 1.895 0 40 FDAB CCOC(=O)[C@H]1CSCCN1C(=O)C[C@@H](NC(N)=O)c1ccccc1 40062274 SQSQZCMDTMMSCV-ZIAGYGMSSA-N 365.455 1.293 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCO1 21033878 QEHNJBYEWZMARN-CYBMUJFWSA-N 358.485 1.718 0 40 FDAB Cc1ccsc1/C=C/C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 32731605 IIULTDWGMXGJIW-NSCUHMNNSA-N 363.483 1.073 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)C1CCN(S(C)(=O)=O)CC1 22139040 CEATUYJGCWZKJP-UHFFFAOYSA-N 364.471 1.133 0 40 FDAB CN(C)CC(C)(C)C1OCC2(CO1)COC(C(C)(C)CN(C)C)OC2 800688 APSNSVBSSYCUAN-UHFFFAOYSA-N 358.523 1.894 0 40 FDAB NC(=O)CCN(C(=O)CN1CCN(CC(F)(F)F)CC1)c1ccccc1 23248779 AXFMXKJQYMMZHC-UHFFFAOYSA-N 372.391 1.075 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3cnnn3)cc2)cc1 30856915 VUKDDRIWGXGIOB-UHFFFAOYSA-N 350.382 1.681 0 40 FDAB O=C1Nc2ncccc2O[C@H]1CCN1CCN(Cc2ccccc2)CC1 20218647 UWWDDFGVXDFNNV-SFHVURJKSA-N 352.438 1.989 0 40 FDAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)NCCc1ccccc1 3306867 VFLFIDSBYIKQAN-UHFFFAOYSA-N 365.393 1.242 0 40 FDAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 4158681 UXEDYYWVDVLBNH-WHOHXGKFSA-N 355.460 1.943 0 40 FDAB O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccccc1F 100989418 FROYRUFMXDMZBD-SFHVURJKSA-N 369.396 1.985 0 40 FDAB CCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 20756911 LQQNNSVANBVDRF-INIZCTEOSA-N 370.409 1.377 0 40 FDAB biogenic O=C(NCCC(=O)O[C@@H]1CCOC1=O)NC12CC3CC(CC(C3)C1)C2 11440951 DFAVIUYUBXXNPZ-UDMGLPGGSA-N 350.415 1.503 0 40 FDAB COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1 11518430 KCRLQYLPXXXMAD-UHFFFAOYSA-N 356.407 1.850 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 11591625 AKWDBRIMPCGVAD-ORAYPTAESA-N 357.410 1.475 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc(Br)cn2)CC1 32914655 WWOXUGBFVNVDAR-UHFFFAOYSA-N 363.215 1.495 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23403316 BSSSDQDRDVWOEB-UHFFFAOYSA-N 369.487 1.162 0 40 FDAB CC(C)CC(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 32908586 PXSCCCHXGLGHLY-UHFFFAOYSA-N 351.472 1.585 0 40 FDAB Cc1csc2nc(CN3CCN(C(=O)C4CCCC4)CC3)cc(=O)n12 29662016 FYHMVJMMVWWLDY-UHFFFAOYSA-N 360.483 1.899 0 40 FDAB Cn1ccnc1CN1CCOC[C@@]2(C[C@@H](CNc3ccccn3)CO2)C1 107795110 LRCJBGPBNWWWIM-QFBILLFUSA-N 357.458 1.535 0 40 FDAB CCN(CC)[C@@H](CNC(=O)CN1CSCC1=O)c1cccc(OC)c1 41908996 YAOXHXRHZYXVMG-INIZCTEOSA-N 365.499 1.727 0 40 FDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029593 LAGUKFQKXMRCEM-AWEZNQCLSA-N 359.469 1.129 0 40 FDAB CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 806908 CWWZUJYINHZRMO-UHFFFAOYSA-N 354.472 1.964 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(C)c3)C2=O)cc1 24478734 MVLFKINHGRSZRS-LJQANCHMSA-N 369.425 1.154 0 40 FDAB Cc1c([C@@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)cnn1C 25004607 PAMWJXJFCPBVPM-VXGBXAGGSA-N 354.414 1.244 0 40 FDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 108527030 VNYHKSIONUTFNT-ROUUACIJSA-N 355.442 1.239 0 40 FDAB COC(=O)c1ccc(CN(C)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 25477365 FQDIYYJYTHJLRR-QGZVFWFLSA-N 363.439 1.290 0 40 FDAB Cc1cnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)s1 22356792 XXCQXBZQOAAXNZ-INIZCTEOSA-N 362.386 1.996 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1 10268519 RAHGGYIUQVSLFI-LSDHHAIUSA-N 361.442 1.976 0 40 FDAB COc1cc(C(=O)NCCn2nc3ccccn3c2=O)ccc1OC(C)C 58281727 MVKAOBSOVSKKPI-UHFFFAOYSA-N 370.409 1.722 0 40 FDAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c2C1 2229301 PVMZHBLXCQTTQB-JTQLQIEISA-N 358.471 1.755 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(Br)o1 3348402 YYYICIRYHBALRZ-IVGLGHLBSA-N 359.176 1.833 0 40 FDAB O=c1[nH]c(N[C@H](CCn2cncn2)c2ccccc2)nc2c1CCNC2 82098236 AGRAZCCAZAOCMD-OAHLLOKOSA-N 351.414 1.251 0 40 FDAB CCCNC(=O)NCC(=O)Nc1cccc(I)c1 12925637 XNTQBDRMUZTYNO-UHFFFAOYSA-N 361.183 1.939 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2c(C)cc(C)cc2C)c1C(=O)OC 3906878 UUJXYKKGBDXOOO-UHFFFAOYSA-N 360.370 1.415 0 40 FDAB COc1ccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCO)cc1 13721055 AYZGIGRCSQRVQE-SJLPKXTDSA-N 363.435 1.337 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 5198194 FBRYNDBSABMBDI-MRXNPFEDSA-N 362.407 1.619 0 40 FDAB CCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314277 WTAKFGZUKAQKRA-CYBMUJFWSA-N 359.430 1.355 0 40 FDAB Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccco1 5863281 NCEVUBJXPLNUKG-UHFFFAOYSA-N 361.383 1.786 0 40 FDAB O=C(CSc1ncccn1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6986836 JFGITDLSUKJDSZ-CYBMUJFWSA-N 355.485 1.527 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 7696956 VZODWXYEGZPWOW-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB Cc1c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2 68738535 FYDIJXQDNSXRSO-LBPRGKRZSA-N 362.426 1.720 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 9515593 IFHTTXMRCZLNOP-CQSZACIVSA-N 360.458 1.961 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 89943499 JPASPIZKWOXZRH-OAHLLOKOSA-N 372.469 1.506 0 40 FDAB O=C(O)c1nccnc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 72404952 IXBSQFXHADLHHZ-QPJJXVBHSA-N 352.394 1.646 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1c(F)cccc1F)CC2 97588827 BUFVPKPAFVOPLR-UHFFFAOYSA-N 374.390 1.364 0 40 FDAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67285567 KEJCZOHUNDQWBG-OAHLLOKOSA-N 365.817 1.453 0 40 FDAB NC(=O)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 29716311 KIXOJXNHCFOUMK-UHFFFAOYSA-N 353.422 1.548 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)[C@@H](Oc1ccccn1)CCS2(=O)=O 306140467 UUKVLGGLCYQSQP-IXDOHACOSA-N 372.446 1.788 0 40 FDAB COc1ccc(CCNC(=O)CN2CC(=O)Oc3ccccc32)cc1OC 31837896 FZWHQRYTIWABTN-UHFFFAOYSA-N 370.405 1.788 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)OC[C@H]1CCCCO1)C2=O 58413478 LYMIGEAUXGYHCC-RYTBJUFESA-N 367.446 1.493 0 40 FDAB Cn1nc2c(c1NC(=O)[C@H](Cc1ccccc1)n1cnnn1)CSC2 524734671 BBLMQSXAVDEIDE-AWEZNQCLSA-N 355.427 1.576 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 408618644 KVZXBWFCKOUXRW-SNVBAGLBSA-N 368.377 1.623 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)COc3cn(C)c(C)cc3=O)c2c1 79194148 APAOQAQSZQVMBA-UHFFFAOYSA-N 369.421 1.921 0 40 FDAB biogenic COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218108494 QLIXGLJMKAXNKZ-QRVBRYPASA-N 361.463 1.881 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1F 44899992 UGRMMTSPVAITLW-UHFFFAOYSA-N 357.451 1.841 0 40 FDAB C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCC(N)=O 227158991 VCNQTDUWGXFYBO-SECBINFHSA-N 367.203 1.004 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC(C)C)cc1 225812697 IQMVCIVOMPKVRJ-UHFFFAOYSA-N 374.528 1.960 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 96100160 XYIXBZGNAFOQQS-OAQYLSRUSA-N 371.481 1.892 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 96040269 CIIBYKVIKPVFJN-DLBZAZTESA-N 354.472 1.819 0 40 FDAB Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C(=O)c4cnn(C)c4)C3)C2)n1 96107798 UJEQQJARABAUHL-MJGOQNOKSA-N 356.426 1.714 0 40 FDAB O=C(NC[C@H](O)c1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1O 97490071 WJCNYAPLTJFTPQ-WMZOPIPTSA-N 372.396 1.986 0 40 FDAB CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)N[C@H]3C=CCCC3)C2)n1 578506137 LENJAVYHTNUDEJ-HOCLYGCPSA-N 374.489 1.573 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CCOC 96261654 BLKPSHALMUQIDC-JTDSTZFVSA-N 359.474 1.298 0 40 FDAB Cc1nc(C)c(CNC(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)s1 333254453 KXWFCFUCRKAHTM-ZDUSSCGKSA-N 371.470 2.199 0 40 FDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107415 WZPQBNFGOLUBDY-ACJLOTCBSA-N 358.373 1.853 0 40 FDAB O=C(NC1CCCC1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96068107 PPGZAIDGYWSKOZ-UHFFFAOYSA-N 359.474 1.697 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1ccnn1C)C2 257214613 CMQJLPHXHZAYJD-POAQFYNOSA-N 367.453 1.102 0 40 FDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)C2(C)CCCCC2)C[C@H]1O 257280164 OJSXTGVYUITBHR-RBSFLKMASA-N 370.490 1.804 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 257297753 RIRSOEMQVRZNRS-GFCCVEGCSA-N 354.432 1.024 0 40 FDAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C)n(C)c1=O 614123426 URTHIXHMORZTLL-HZPDHXFCSA-N 358.442 1.694 0 40 FDAB CO[C@@H]1CN(Cc2nc(Cc3ccccc3C)no2)C[C@H]1c1cnn[nH]1 621319414 AEIUSCNSRKJHHY-GOEBONIOSA-N 354.414 1.701 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)c3cccnc3NC(C)C)C[C@H]2O)cn1 628247292 VGXCWVHYSCOEBQ-HZPDHXFCSA-N 359.430 1.383 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)N1CCC(Cc3cccnc3)CC1)N(C)C2 644407238 AOLAIRFFIZAIGO-QGZVFWFLSA-N 354.458 1.277 0 40 FDAB Cc1nc(N2CCOCC2)ccc1NC(=O)C1(N)Cc2ccccc2C1 648157524 JXPNOBYYIIYCME-UHFFFAOYSA-N 352.438 1.661 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2csc(C)c2C)CCO1 653553082 YDLOHYSECBXJJA-ZDUSSCGKSA-N 354.428 1.139 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@](F)(c2ccccc2)C1 669880782 BEEDGDQFOZQNIH-NVXWUHKLSA-N 354.447 1.898 0 40 FDAB COc1cc(C)nc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 597976518 YZZLKKMLSHKUQE-KRWDZBQOSA-N 367.453 1.721 0 40 FDAB NC(=O)CN1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@@H]2C1 1775988518 QASWQEDWQQRUGV-GXFFZTMASA-N 365.359 1.644 0 40 FDAB CC(=O)N1CC[C@H](N[C@@H]2CN(C)C[C@H]2c2cncn2C)c2ccccc21 1775959925 HRRHHLXQFTYFEM-FGTMMUONSA-N 353.470 1.905 0 40 FDAB O=C(NCCn1ccc(-c2ccccn2)n1)[C@H]1COc2ccccc2O1 96098882 RGVUYGUCJWWRML-GOSISDBHSA-N 350.378 1.901 0 40 FDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2ccncc2)C1 585095820 NMYZMXLPNNPYHC-GOSISDBHSA-N 369.469 1.957 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCCn3cccn3)CCO2)cc1 585275986 CNEFDTRHXLSWIS-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB COc1ccc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 679420662 BXXKMDTXHYIBLC-UHFFFAOYSA-N 373.434 1.307 0 40 FDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(c2ccccc2)CC1 85472770 CZTSZEIEYRIXIB-MRXNPFEDSA-N 357.454 1.363 0 40 FDAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(CC4CC4)C[C@@H]23)n1 1549162167 OMMCEGUHHZOKLM-MRXNPFEDSA-N 357.458 1.670 0 40 FDAB CCCN(CCC)S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998328 CGYYCAJJQKQIDZ-UHFFFAOYSA-N 374.484 1.564 0 40 FDAB O=C1NC(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3c[nH]c4ccccc34)[C@@H]12 13524459 YCDBVPWWHITLPH-GMTAPVOTSA-N 357.416 1.797 0 40 FDAB COc1ccc2c(c1)-c1nc3c(cc1[C@@H](O)O2)c(=O)[nH]c(=O)n3CC(C)C 14083612 ITVUMEXZIAQEHX-SFHVURJKSA-N 369.377 1.800 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nc12 19126869 HYQZMWZCFYSEKX-ZIAGYGMSSA-N 354.410 1.593 0 40 FDAB CN(C)C[C@@H]1CCCN(C(=O)CN2C(=O)CC(c3ccccc3)CC2=O)C1 19582047 BYXWOOSQGOVLBI-INIZCTEOSA-N 371.481 1.719 0 40 FDAB COCCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19593144 XLBMBESQDQDJLY-OAHLLOKOSA-N 360.389 1.804 0 40 FDAB COc1ccc2cnn(CC(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)c(=O)c2c1OC 169680716 UQAGHUKJCHLUCS-UMVBOHGHSA-N 369.421 1.742 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cn1 1888869881 ULLABXKCQFQSOC-GASCZTMLSA-N 364.453 1.581 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1 20797798 NKAPFDJQTVRROY-UHFFFAOYSA-N 372.469 1.068 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037840415 MBUUFHUNPLSBLC-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 710688 YSVARRTZEQMXJF-UHFFFAOYSA-N 369.425 1.163 0 40 FDAB biogenic CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 4086659 PUMIUFUSJOVJKD-UHFFFAOYSA-N 358.470 1.763 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCCC1 4479098 AHEMTTDVGFLMQW-UHFFFAOYSA-N 357.801 1.858 0 40 FDAB Cc1ccc(N2C[C@H](NC(=O)NCCCN3CCCC3=O)CC2=O)cc1 5123481 XGWHDQWRUSOLED-OAHLLOKOSA-N 358.442 1.412 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccs1 10594630 DTAYLZAHGSSTFY-UHFFFAOYSA-N 357.367 1.481 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3cccc(NC(C)=O)c3)ncnc21 13532182 HRKVZEFNOYIDCA-UHFFFAOYSA-N 371.426 1.930 0 40 FDAB COCC(=O)N1CCC2(CC1)CN(CC(C)C)C[C@@]21CCN(C)C1=O 2055796043 PCGKICPCUGZQFN-LJQANCHMSA-N 351.491 1.062 0 40 FDAB CCCN(CCC)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713643 QHRURSDQUYUQED-HNNXBMFYSA-N 362.474 1.567 0 40 FDAB COc1cnc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)nc1 2055835231 VMUVLIOFKWXQLT-XIKOKIGWSA-N 374.372 1.472 0 40 FDAB Cc1nc2sc([C@H](c3ccco3)N3CCN(CCO)CC3)c(O)n2n1 22459051 NYTKELGEYQMINJ-ZDUSSCGKSA-N 363.443 1.097 0 40 FDAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(=O)n(C)c1 23136407 WYKAWOFNVRAMFA-UHFFFAOYSA-N 355.423 1.912 0 40 FDAB COc1nc(NC(C)C)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100138800 DGCPGUJNXQQKOS-STQMWFEESA-N 356.430 1.486 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207016592 QWQDDZUMQHPMGM-LBPRGKRZSA-N 358.427 1.871 0 40 FDAB O=C(NCC(=O)N1CCC[C@@H](Oc2ncccn2)C1)OCc1ccccc1 575613379 QJUBUSMDFOAIMW-MRXNPFEDSA-N 370.409 1.773 0 40 FDAB COc1ccc(CNC(=O)c2nnn(Cc3ccccc3)c2N)cc1OC 4852207 MSEPYFCSVQXPOW-UHFFFAOYSA-N 367.409 1.856 0 40 FDAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 28050566 NNMCUWBZKNICHG-UHFFFAOYSA-N 372.535 1.767 0 40 FDAB C[C@H](O)CNC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 36569754 XDGCYZJMSVQENA-VIFPVBQESA-N 371.224 1.674 0 40 FDAB O=C(Cc1cccc2ccccc12)NCC(=O)NC1CCS(=O)(=O)CC1 40135615 XKAWDLVUDIXEMG-UHFFFAOYSA-N 374.462 1.192 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100641686 KQNSWQIZKZKVJE-OELWXQPESA-N 371.364 1.747 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cccs1 20559156 VCTOGHGWMHMLNX-AWEZNQCLSA-N 351.428 1.251 0 40 FDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2 8328030 UILQAMAJQBXZNV-UHFFFAOYSA-N 373.409 1.676 0 40 FDAB CN(C)CCOc1ccccc1CNC(=O)N1CCN(CC(F)F)CC1 58231842 PMVAPYGWQOFIRN-UHFFFAOYSA-N 370.444 1.719 0 40 FDAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)c1 107862680 CXRLXOZXRUWETH-UHFFFAOYSA-N 364.423 1.283 0 40 FDAB O=S1(=O)CC[C@H](N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 23290030 XDLMSZOMKJKJRB-HNNXBMFYSA-N 362.455 1.041 0 40 FDAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@H]1CCCCNC1=O 104875639 ISINVTRHFIXUON-JKSUJKDBSA-N 373.453 1.380 0 40 FDAB O=C(Nc1ccc(C(=O)OCC(=O)N2CCNC2=O)s1)c1ccco1 23576436 XMUPMACOLQKCSM-UHFFFAOYSA-N 363.351 1.302 0 40 FDAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24677862 ASDRNNJEROZIGF-GXTWGEPZSA-N 358.435 1.523 0 40 FDAB CSc1ncc(Cl)c(C(=O)NCc2cccnc2-n2cncn2)n1 47121930 XALOUUFOSLNWCM-UHFFFAOYSA-N 361.818 1.758 0 40 FDAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 56059054 GRLYTUSBEZMMGM-UHFFFAOYSA-N 358.467 1.913 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cccs2)c1 12521405 YJBFGXNVTPCBFU-UHFFFAOYSA-N 362.454 1.505 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc3nccnc3n2)CC1 58134717 ZADZPIRVJASOQD-UHFFFAOYSA-N 373.413 1.675 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)CC1 58393119 LCWASPIRSMGZIE-HNNXBMFYSA-N 373.453 1.517 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(C(=O)c2ccoc2)C1 48289083 ZZHLJNDRBJNRES-LBPRGKRZSA-N 366.381 1.951 0 40 FDAB CC(=O)c1cccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 8034309 DGUPZQUOCROQIF-UHFFFAOYSA-N 371.418 1.957 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1cccc(N2CCCC2=O)c1 7297709 PLLMWSAYZSZLFO-UHFFFAOYSA-N 355.394 1.861 0 40 FDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccsc2C(=O)OC)c1C 13722288 UJOXLSRJXKDZGE-UHFFFAOYSA-N 364.427 1.623 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 16802896 KRJOIPCMDBUXDS-GXTWGEPZSA-N 362.455 1.396 0 40 FDAB c1csc(N2CN(CCN3CCOCC3)CN(c3nccs3)C2)n1 21123005 JKBSXWMGUYLLDY-UHFFFAOYSA-N 366.516 1.433 0 40 FDAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(C)noc1C 6581492 FNDGMEVUPLODGM-UHFFFAOYSA-N 357.457 1.680 0 40 FDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 6623228 XMGNAVPQPANPRX-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 6673082 MGESCJIANLKUIZ-OLZOCXBDSA-N 354.453 1.325 0 40 FDAB O=C(NCCSCc1ccco1)C1=CN2CCS(=O)(=O)N=C2C=C1 8943568 QWNVMIDFRPEJCU-UHFFFAOYSA-N 367.452 1.127 0 40 FDAB C[C@H](c1cccnc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000087 CHWQGBLDOSJAHW-CQSZACIVSA-N 359.451 1.929 0 40 FDAB C/C(NN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9360214 AEBMAYRURPFDJQ-JLHYYAGUSA-N 364.789 1.034 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CN2C=Nc3ccccc3S2(=O)=O)o1 83852241 HAQMRUACKQLDNL-UHFFFAOYSA-N 369.424 1.394 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N(C)CC(C)(C)O 72313650 OIVLIKLVIKPHIS-UHFFFAOYSA-N 373.475 1.570 0 40 FDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)Cc1ccc2c(c1)CCC2 84452489 UDUQZQPXWCXVAE-QGZVFWFLSA-N 365.433 1.699 0 40 FDAB O=C(NCc1nccn1CC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O 76094450 GOABUEOOEIZQJM-GXTWGEPZSA-N 354.332 1.903 0 40 FDAB Cc1cc(CN2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)on1 95972271 WEWMIWJECZIWQM-AWEZNQCLSA-N 360.380 1.654 0 40 FDAB C[C@@H](O)CN1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H](C)C1 249111457 ARANEESSCUMENC-BSXFFOKHSA-N 372.531 1.099 0 40 FDAB O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCN2CCOC[C@@H]2C1 544674427 NUCBTFAKXZIZFF-ZDUSSCGKSA-N 365.282 1.840 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCOCC2)CC[C@@H]1O 30878639 QDPITRHWOBTJIA-FHWLQOOXSA-N 362.470 1.276 0 40 FDAB biogenic,in-vitro O=C(NCCn1nnn(-c2cccs2)c1=O)[C@@H]1C[C@H]2C=C[C@@H]1C21CC1 72341059 ZYHGBFXNNVTIAA-UPJWGTAASA-N 357.439 1.209 0 40 FDAB Cc1cc(O)n2nc(CC(=O)N3CC[C@@H](c4ccccc4)[C@H](O)C3)nc2n1 72346658 PIVJEOPPWNOGQM-LSDHHAIUSA-N 367.409 1.058 0 40 FDAB CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)CC1 71284895 NPYQTBKUDDSSIN-CABCVRRESA-N 359.426 1.370 0 40 FDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218150899 LDAHIZNWKILVRD-YCPHGPKFSA-N 371.480 1.625 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(N2CCOCC2)n1 49411103 MCAAXAJDFNZKLV-UHFFFAOYSA-N 362.817 1.680 0 40 FDAB COc1ccc(CN2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2=O)cc1 85436198 IVJJYXKAKRMHPM-QGZVFWFLSA-N 355.442 1.551 0 40 FDAB biogenic,in-vitro NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1CC(=O)c1ccccc1 82086843 YOEZDMJEOAOVQJ-UHFFFAOYSA-N 372.446 1.995 0 40 FDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 225087758 CPRRJPACAWDALR-UHFFFAOYSA-N 365.455 1.104 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCOCC2)ccc1=O 49548638 PJBIORUGXKZNJP-MRXNPFEDSA-N 370.453 1.217 0 40 FDAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCC(=O)N(C)C 227153043 WKDFREIIOKRDHD-LBPRGKRZSA-N 364.833 1.888 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)[nH]n1 96223460 YKUFMMUQOQVQOD-RDTXWAMCSA-N 356.430 1.408 0 40 FDAB O=C(c1ccno1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244262 FKLOFBBBGOSDFH-LJQANCHMSA-N 363.377 1.841 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccc[nH]1)C2 96230470 VCAPAZUJRBCDPD-LJQANCHMSA-N 356.401 1.717 0 40 FDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(c3ncc(F)cn3)C2)C1 96217976 OKYZZYCNVHLANJ-HNAYVOBHSA-N 357.433 1.986 0 40 FDAB Cc1cccc(CN2Cc3ncn(C)c3[C@@H](COCC(=O)N(C)C)C2)n1 96044879 FTKBFLSGJMLSON-OAHLLOKOSA-N 357.458 1.328 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cccnc2C)CC1 257318662 VOXXTBHOMHAYFV-UHFFFAOYSA-N 353.426 1.836 0 40 FDAB Cc1nc(CC(=O)N2CCNC[C@@H](Cc3cc(N(C)C)ncn3)C2)cs1 257246091 ISLBTKIPZNFBGR-CQSZACIVSA-N 374.514 1.141 0 40 FDAB c1cc2nncn2nc1N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 253596000 LWUYWRIIOSOIKH-OAHLLOKOSA-N 359.430 1.305 0 40 FDAB CCn1nccc1-c1cc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)ncn1 257210081 BTBSAOJMKKOXKP-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)NCCCO)CC1 269170151 RFWQNIKUDKJFGD-UHFFFAOYSA-N 350.415 1.055 0 40 FDAB O=C(O)c1cccc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 263376397 BMYCILINJCZNEF-LLVKDONJSA-N 367.452 1.964 0 40 FDAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)N1CCC(OC)CC1 656511737 YGIPULCXCWNSNB-UHFFFAOYSA-N 372.443 1.480 0 40 FDAB NC(=O)NCC(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67783819 PRCBVQPRTFAMJF-UHFFFAOYSA-N 368.372 1.562 0 40 FDAB O=C(N[C@H]1COc2ccc3ccccc3c2C1)[C@@H]1CCc2nnnn2CC1 606444655 BIICYFXFDMZWGK-HUUCEWRRSA-N 363.421 1.899 0 40 FDAB CC(C)(C(=O)O)C1(O)CCN(S(=O)(=O)c2cccc(F)c2F)CC1 558590241 AGPGLPRCLSCDMU-UHFFFAOYSA-N 363.382 1.591 0 40 FDAB O=S(=O)(Cc1cccc2c1OC(F)(F)O2)C[C@H](O)Cn1cccn1 629326700 PMQQPEIPVMSTHP-LLVKDONJSA-N 360.338 1.181 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CN(c2ncccc2C(=O)O)C[C@H]1C(F)(F)F 647455271 UDBFZKPRVGKCQX-NXEZZACHSA-N 367.349 1.038 0 40 FDAB COc1ccc(Cn2nnc(C(=O)NC(C)(C)c3nc(C)no3)c2C)cc1 650010985 NZSSUXGEJPSVIV-UHFFFAOYSA-N 370.413 2.000 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)c1 1142821723 OARZFZBVJNQVHS-UHFFFAOYSA-N 351.366 1.947 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc3c(c2)CCN3C)cc1 96362318 BSQCQNJUFQNAPI-GOSISDBHSA-N 354.406 1.929 0 40 FDAB Nc1ccc(-c2ccc(N3C(=O)NC[C@@H]4CS(=O)(=O)C[C@H]43)cc2)cc1 575421977 KCGQKUZCHCMWTF-RHSMWYFYSA-N 357.435 1.879 0 40 FDAB O=C1CN(S(=O)(=O)c2ccccc2Cl)CCN1c1cccnc1 585150347 RTACETJQBYQULE-UHFFFAOYSA-N 351.815 1.773 0 40 FDAB CN(C)C(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C 585168384 CBTVYJHGFABUSY-SFHVURJKSA-N 356.470 1.721 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(F)c(F)c3)C2)OC1 585105254 ROMCEUCNBXEDOI-AWEZNQCLSA-N 374.453 1.885 0 40 FDAB O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)C1CC(OCc2ccccc2)C1 685942970 ZAASVSXALZDHBU-MUDYYLEHSA-N 357.410 1.668 0 40 FDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100099868 QCCHALWJIVGRKR-GASCZTMLSA-N 356.378 1.753 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119647 IPJHKOXDQNHXCN-IBGZPJMESA-N 360.410 1.364 0 40 FDAB Cc1cncc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)n1 1615158867 GQPMFWIPFOHBPR-DLBZAZTESA-N 351.447 1.320 0 40 FDAB COc1ccc2cc(C)c3nn(CC(=O)NCc4ccco4)c(=O)n3c2c1 12181877 YADNIHRWMCCNHZ-UHFFFAOYSA-N 366.377 1.876 0 40 FDAB O=C(Nc1nccs1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 15905591 MYRUJLQRUFUBIV-ZOPJHEKZSA-N 357.391 1.657 0 40 FDAB CN[C@@H](ON1C(=O)[C@@H](O)Oc2cc(OC)ccc21)C(Cl)(Cl)Cl 16189371 IXBJXWSSEQIOEE-QWRGUYRKSA-N 371.604 1.586 0 40 FDAB Cc1cc2nc(CNC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc(O)n2n1 19130077 QMHBUJLQYVEZNL-CYBMUJFWSA-N 351.366 1.486 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCCN1CCCC1=O 19576232 NQXGJEJHJWQJQB-RZQQEMMASA-N 369.421 1.202 0 40 FDAB O=C(c1ccc([C@H]2CCCN2C(=O)c2csnn2)nc1)N1CCOCC1 19708215 WYFXLVBZYHMXCR-OAHLLOKOSA-N 373.438 1.383 0 40 FDAB Cc1nc(CC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)cs1 19746821 VEJLZMRPYMSPEU-KRWDZBQOSA-N 351.472 1.670 0 40 FDAB COc1ccccc1Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](C)C3 19818762 LNRGLYCFTLEIHB-LLVKDONJSA-N 365.389 1.907 0 40 FDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c1 19961174 MVTKGHRQVWTHTK-CYBMUJFWSA-N 367.409 1.743 0 40 FDAB CO[C@@H]1CN(C(=O)c2cc(C)nc(O)n2)C[C@]12C[C@@H](c1ccccc1)CO2 643588057 UFFFYCBFFIRBHQ-WRWLIDTKSA-N 369.421 1.904 0 40 FDAB O[C@@H]1CN(CC2(O)CCOCC2)C[C@]12C[C@@H](c1cccc(F)c1)CO2 643586078 WZISLBNGWCNGFE-SZVBFZGTSA-N 351.418 1.286 0 40 FDAB O=C(NCc1cccc(F)c1)N1CCN(C2CCS(=O)(=O)CC2)CC1 238876800 OGHFJZNUMDWWRO-UHFFFAOYSA-N 369.462 1.230 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1cc(CC(=O)O)ccc1OC 655593481 KXBWNOFSAPFBMT-UHFFFAOYSA-N 353.400 1.271 0 40 FDAB CCc1nc(N2C[C@@H]3CN(c4nc(C)ns4)C[C@H]3C2)nc(O)c1F 1888854011 RUELRONENKTAKD-NXEZZACHSA-N 350.423 1.616 0 40 FDAB COc1ncccc1C(=O)N1C[C@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888869530 ODKZEVNSBMRTGO-RYUDHWBXSA-N 373.388 1.242 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 37191858 QRCBPLQLRWJTRF-AWEZNQCLSA-N 371.478 1.293 0 40 FDAB O=C(NC1CCOCC1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008805 OBGGZMZMMXPCLR-UHFFFAOYSA-N 372.400 1.795 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(c2ccccn2)CC1 43941368 HQAGEFNQNKMQOQ-UHFFFAOYSA-N 370.428 1.870 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(c2ncc(F)cn2)CC1 585502397 SSYNCAZKRFEDKG-UHFFFAOYSA-N 355.377 1.275 0 40 FDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cc(O)nc2ccccc12 575620487 RGJWBFKBJDLCAY-UHFFFAOYSA-N 350.378 1.805 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16042959 CDWLMBMGTZEQEZ-MJBXVCDLSA-N 361.442 1.707 0 40 FDAB biogenic C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)C[C@@H](C)O1 40081056 PRTXSSPJFSXPPP-HUUCEWRRSA-N 373.519 1.065 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCn2ccnc2)no1 45162051 HHYMNEXPTNAUEQ-GFCCVEGCSA-N 351.432 1.446 0 40 FDAB Cn1ncc(Cl)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 2780364 BCEKURMRVHZUFO-UHFFFAOYSA-N 362.777 1.699 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1cccc(OCc2c(C)noc2C)c1 3469975 BZSIGNKYLXDYCC-UHFFFAOYSA-N 361.354 1.483 0 40 FDAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)Nc3c(Cl)cccc3Cl)cnc12 28527153 VJKRWQKZXZSKOR-UHFFFAOYSA-N 368.180 1.209 0 40 FDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 31668997 QIWFKMOTEJEPQE-UHFFFAOYSA-N 372.402 1.864 0 40 FDAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O 4356409 PJJZOMRBURCJGL-NEPJUHHUSA-N 361.508 1.649 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CN2Cc3ccccc3C2=O)c1 20718654 BDJMQKCLGUHGIX-UHFFFAOYSA-N 374.418 1.780 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@H]3C(c4cnn(C)c4C)=NO[C@H]3C2=O)cc1 101502849 WZWARHVCXKQNFK-GOEBONIOSA-N 352.350 1.224 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCc2ccc(Br)cc2)C1=O 8884065 OVLVEUUACUHGRD-UHFFFAOYSA-N 355.188 1.823 0 40 FDAB CN(C)CCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 10111684 DKEVVTYUHUAKQL-UHFFFAOYSA-N 361.467 1.807 0 40 FDAB CCN(CC)C(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506419 QADKKXCEFGROPV-UHFFFAOYSA-N 354.454 1.983 0 40 FDAB Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 9603073 JCJAGQOXBAUCBO-LBPRGKRZSA-N 366.418 1.929 0 40 FDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 27976208 VSUJWVXPTHBFBI-CYBMUJFWSA-N 372.473 1.855 0 40 FDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1OC(F)(F)F 23402245 DYHWDIBSLZPDOA-UHFFFAOYSA-N 352.334 1.484 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1Cc1cccc(F)c1 56990812 BJMXLRNOXMEPLB-INIZCTEOSA-N 354.447 1.090 0 40 FDAB CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H](C)O[C@@H]2CCC[C@H](C)C2)cn1 108156566 VQLVIKOCCOSXLH-NXNVCVFFSA-N 368.478 1.660 0 40 FDAB COc1ncccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12546088 CJGJQNFCILGDHG-UHFFFAOYSA-N 350.378 1.676 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1cc(F)cc(F)c1 58201975 UJSCMZROCFRHSY-UHFFFAOYSA-N 358.348 1.819 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](O)c1ccc(F)c(F)c1 48175177 SUMLLIKGAVDQAH-INIZCTEOSA-N 359.332 1.525 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1ccco1 3386862 GJNGQGMVWQZXHJ-LJQANCHMSA-N 353.378 1.679 0 40 FDAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cn(C)cn1)C2 306123174 AGDVFBXSEWXTQM-INIZCTEOSA-N 369.469 1.568 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3516298 GRICNEMLKYQLOA-UHFFFAOYSA-N 368.422 1.877 0 40 FDAB COc1cc(C(=O)Oc2cccc(-n3cnnn3)c2)cc(OC)c1OC 8486997 KNVHBKBVXVYLGW-UHFFFAOYSA-N 356.338 1.907 0 40 FDAB NC(=O)[C@H]1CN(C(=O)CN2CCCc3ccccc32)c2ccccc2O1 8710575 CJXUWTBCWBODNV-GOSISDBHSA-N 351.406 1.719 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1 6049119 XWKJLQQYRAIZND-VQHVLOKHSA-N 365.382 1.417 0 40 FDAB CCc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)s1 49736960 GTSYHAFCNABJOC-OAHLLOKOSA-N 359.561 1.861 0 40 FDAB O=S1(=O)C[C@H](O)[C@@H](NCCC2CCN(Cc3ccccc3)CC2)C1 13725269 JFETWLBYAQPVFG-ROUUACIJSA-N 352.500 1.036 0 40 FDAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@H]1CCS(=O)(=O)C1 6436790 ICNZWPUMZFKZDW-NSHDSACASA-N 357.453 1.243 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2nc(CC(N)=O)cs2)nn1-c1ccccc1 14134784 DNVGKOACSKIPOI-UHFFFAOYSA-N 369.406 1.278 0 40 FDAB Cc1csc(=O)n1CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14167414 WRMKRLPEJTWHPH-UHFFFAOYSA-N 372.450 1.725 0 40 FDAB COc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCCCCC2)c1 14731082 AZYBLKMRIWFWIA-UHFFFAOYSA-N 355.460 1.686 0 40 FDAB C=C1C(=O)O[C@H]2C[C@@H](C)[C@H]3[C@@H](OC(C)=O)C[C@H](O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 5722319 JXEGMONJOSAULB-JAEMWRGZSA-N 366.410 1.375 0 40 FDAB biogenic O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2cccs2)C1 7247919 NMGLBOAMRLBWRB-NSHDSACASA-N 361.466 1.719 0 40 FDAB CC(C)COC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccco1 69929498 GHTZIIPXYSJBIR-CQSZACIVSA-N 363.418 1.103 0 40 FDAB COc1ccc(C[C@H]2CCCN2CC(=O)NC2CCN(C(C)=O)CC2)cc1 59406129 ALSGEHGDGKOFHF-LJQANCHMSA-N 373.497 1.829 0 40 FDAB O=C(Nn1cnc2sccc2c1=O)c1cncc(Br)c1 9313970 QUVXITLMNGBSSW-UHFFFAOYSA-N 351.185 1.999 0 40 FDAB Cc1cc(=O)[nH]c([C@H](C)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 84114337 ZWXXDCOIWDPOSI-ZDUSSCGKSA-N 360.462 1.638 0 40 FDAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20105061 MSOCMHNGEBQVIU-MRXNPFEDSA-N 353.488 1.472 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(O)cc1 72402664 RFPNHSWBVNUKDW-ZDUSSCGKSA-N 370.413 1.041 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cccnc2)c1C 84791063 HQVSJLRFUWYJKB-CYBMUJFWSA-N 358.398 1.880 0 40 FDAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)nn2cc[nH]c12 84795691 MCRKINHQTFJLGJ-GFCCVEGCSA-N 368.349 1.559 0 40 FDAB CN(CCN1CCCC1=O)c1nc2ccccc2nc1N1CCOCC1 89346186 QJEJBYVIOSNQTL-UHFFFAOYSA-N 355.442 1.525 0 40 FDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)s1 306123729 AUSNGZXRINKLHI-YSVLISHTSA-N 360.483 1.667 0 40 FDAB O=C(C1CCOCC1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 306139364 SVJZENOQLFUFLZ-FHWLQOOXSA-N 360.454 1.888 0 40 FDAB N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 562758941 VGHMBXQMWNVXOD-BXUZGUMPSA-N 373.379 2.246 0 40 FDAB COCCN1CCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)CC1 72396872 VYACOTRWCQTKQC-UHFFFAOYSA-N 366.425 1.962 0 40 FDAB CCCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825582 FAKBPRPSVGUICI-UHFFFAOYSA-N 363.233 1.858 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)O 71328771 JSNZFSOZHJIKPE-PIGZYNQJSA-N 361.373 1.665 0 40 FDAB Cc1cc(C)nc(SCC(=O)N2C(=O)CN(C)C(=O)c3ccccc32)n1 40386001 JPRJXYVIGQWXAR-UHFFFAOYSA-N 370.434 1.831 0 40 FDAB CCOc1ccc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cn1 225448117 ODLYUJINDCXKPL-AWEZNQCLSA-N 357.414 1.630 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccccc2C)s1 225860625 BFVSPXJBAFYJTF-JTQLQIEISA-N 370.456 1.551 0 40 FDAB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCn2ccnc2C1 329083509 SPNLPBYPSIYALC-HBFSDRIKSA-N 368.481 1.976 0 40 FDAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 222625316 VPVHRSRNPHLJNW-UHFFFAOYSA-N 368.455 1.782 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccs2)cc1 224200193 TXDOKMSBFZPDTP-UHFFFAOYSA-N 354.453 1.807 0 40 FDAB COCc1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 332386157 JHHGVRBSTKXJGO-UHFFFAOYSA-N 366.483 1.168 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)c4ccccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036292 UNKCMRPOAVTHJI-LAUBAEHRSA-N 370.497 1.734 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccncc1)CN(Cc1nccs1)C2 96060748 NKISGWBKFWMLFM-CQSZACIVSA-N 356.455 1.983 0 40 FDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccc(C)s2)C[C@@H]2CCCO[C@@H]21 96057118 QGZXBMYVGDSPPN-IMJJTQAJSA-N 358.529 1.975 0 40 FDAB COc1ccc([C@@H](C)NC(=O)c2noc(-c3ccc[nH]c3=O)n2)cc1OC 96125545 KVSZVFAQDUVRLP-SNVBAGLBSA-N 370.365 1.933 0 40 FDAB CCn1c(C)cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1C 577541955 YOFZZECBEJZKHF-WMLDXEAASA-N 357.458 1.808 0 40 FDAB CN(C)C(=O)CO[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1 248017586 QOCCHYJFGBBVEB-KRWDZBQOSA-N 367.453 1.854 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cnc(C2CC2)nc1 257293481 QPQGTKAMYRBEPB-INIZCTEOSA-N 353.426 1.926 0 40 FDAB CCCn1ccnc1CN1CCO[C@@H](c2nccc(CNC(C)=O)n2)C1 257222993 DVKJVYCNIVMQPZ-MRXNPFEDSA-N 358.446 1.293 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ncnc3[nH]ccc23)c1 588896396 DJOPGYWUFXYQIN-HNNXBMFYSA-N 351.410 2.479 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(CCOc2cc(C)ccc2C)CCO1 648048944 PXFLFJFCFPWZLI-QGZVFWFLSA-N 364.442 1.316 0 40 FDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)Cc2ccnn21 585112591 RPTSBMFXRDBJHL-ZDUSSCGKSA-N 368.846 1.418 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]21 585108442 LGBLXBJFURFREC-BZUAXINKSA-N 370.384 1.270 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@](O)(CCC(=O)N(C)C)C1 585289087 DHIXORVQIAAXJY-UCFODXPJSA-N 362.474 1.272 0 40 FDAB Cn1nc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)c2c1CCC2 585275514 FNEHQPVPEGAMOK-IBGZPJMESA-N 359.401 1.704 0 40 FDAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc2c(c1)CCO2 54799005 XNEDYPDJACMHIE-UHFFFAOYSA-N 356.407 1.681 0 40 FDAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 96103431 CMJJFBGFIMSSFL-LBPRGKRZSA-N 350.444 1.246 0 40 FDAB O=C(N[C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 579327990 SVFQODXUUXGCKB-MGPQQGTHSA-N 353.444 1.345 0 40 FDAB Cc1cccc(O)c1C(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1 1634241740 JOUHXXQWHPQIBZ-UHFFFAOYSA-N 356.382 1.950 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1 5118118 KGZIRRAMUWXQQH-SECBINFHSA-N 365.386 1.744 0 40 FDAB CCCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997715 DNZKGQIBDXSAHB-UHFFFAOYSA-N 374.484 1.530 0 40 FDAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CN4CCC3CC4)ccc21 12220623 QVZLNXWJOSFEHK-CQSZACIVSA-N 365.455 1.548 0 40 FDAB Cc1c([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)n2c(nc1=O)CCC2 19554775 SURVIVUDMNXNNU-OAHLLOKOSA-N 370.457 1.276 0 40 FDAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)[C@H]2CCCO2)n1 19585798 SKFMSGWQAIMDHZ-HUUCEWRRSA-N 356.430 1.775 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC)C1)C2=O 19700017 JVQJEXMBCCIBLW-CQSZACIVSA-N 350.463 1.184 0 40 FDAB CCn1cncc1C(=O)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1 19750398 GLIAUBZBCAXYAL-SFHVURJKSA-N 368.437 1.329 0 40 FDAB CCc1ncnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1F 1888904280 ZLQKAZAZUPTUHG-UHFFFAOYSA-N 357.437 1.895 0 40 FDAB O=C(CN1CCC[C@H](C(=O)N2CCSCC2)C1)NC1CCCCC1 1888922115 KOVQKPIJJYOPAR-HNNXBMFYSA-N 353.532 1.723 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 36636323 CLADAZDVHWPBON-ZDUSSCGKSA-N 365.407 1.757 0 40 FDAB Cc1n[nH]c(C)c1C(=O)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238831330 FYVRPQHHUWRLJU-UHFFFAOYSA-N 367.409 1.919 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccc(F)c(F)c1)CCO2 2037984110 QPPBREFGNJVPRW-SFHVURJKSA-N 354.397 1.803 0 40 FDAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCCN(C(=O)c3csnn3)C2)C1 1565544690 OCRPMIDWYSALCD-MAUKXSAKSA-N 373.482 1.829 0 40 FDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1565547088 FEQXUKCRFWPVBO-UHFFFAOYSA-N 373.379 1.705 0 40 FDAB COC1(CC(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)CCC1 1565555622 LZVQJKUWDNOGLS-IEBWSBKVSA-N 367.486 1.864 0 40 FDAB COc1ccc(CCNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc1 5250837 GZEMAWIRYHFHIF-UHFFFAOYSA-N 355.394 1.951 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2[C@@H]1C 8706180 TYHJOVWDHNACBF-LLVKDONJSA-N 370.388 1.471 0 40 FDAB Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CC2)cc1 17042173 QHHMQIHRDCEAQP-UHFFFAOYSA-N 374.466 1.693 0 40 FDAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cc1 2055772774 BUXKEDRUHMARBC-UHFFFAOYSA-N 368.437 1.756 0 40 FDAB CN1CCN([C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccn2C)CC1 21153140 ITIPRRZVBWQHCJ-KRWDZBQOSA-N 370.453 1.472 0 40 FDAB CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1 21682281 LGJBOVUOILMOSY-UHFFFAOYSA-N 367.452 1.415 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1F 10518809 GSBCROVKFDICEO-UHFFFAOYSA-N 356.400 1.225 0 40 FDAB C[C@@H](C(=O)c1ccc(OC(F)F)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 1095677 YWTYNILPGZYHEN-QMMMGPOBSA-N 364.308 1.469 0 40 FDAB Cc1cccc(C)c1NC(=O)C(=O)Nn1c(NN)nc2ccccc2c1=O 1630185 CNVUUCBZYYVNDS-UHFFFAOYSA-N 366.381 1.008 0 40 FDAB CC[C@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451325 ZFUPKYXJIBPBQM-QMMMGPOBSA-N 358.320 1.029 0 40 FDAB CN1CCN([C@H](CC(=O)c2ccc(Br)cc2)C(=O)O)CC1 20432431 DIXFIBYQEKIAKO-CYBMUJFWSA-N 355.232 1.723 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 4544023 XIXQELOGSXOJAO-GGNLRSJOSA-N 373.380 1.973 0 40 FDAB O=C(NCCN1CCCC1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4984026 MXZMJDLETFRATD-SDXDJHTJSA-N 352.438 1.998 0 40 FDAB CCOC(=O)CS[C@H]1CC(=O)N(c2cc(C(=O)O)ccc2C)C1=O 101273848 PQSACCIXGZWSEF-LBPRGKRZSA-N 351.380 1.621 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1 6817855 AZYXYNWGTRNVJM-UHFFFAOYSA-N 354.457 1.750 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1 101499916 OJUOIEXQEYNWDV-WBVHZDCISA-N 352.346 1.996 0 40 FDAB COc1cccc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)c1O 32893599 LYDDQDSVRRDMCR-UHFFFAOYSA-N 363.458 1.463 0 40 FDAB FC(F)(F)CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 32869697 FMEXDNJCIQUDEY-UHFFFAOYSA-N 354.258 1.827 0 40 FDAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2cccc(O)c2)n2nnnc2N1 10232496 LZPPGXFWFZVVBA-CQSZACIVSA-N 367.321 1.297 0 40 FDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107228507 WUWZFHNSFUFROL-CJNGLKHVSA-N 357.451 1.996 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C(N)=O)cc1 2655380 VQEVZBHSWKOEFP-UHFFFAOYSA-N 368.422 1.800 0 40 FDAB Cc1nc(CCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cs1 22761695 SNQSJCKMFHYJGZ-UHFFFAOYSA-N 373.525 1.577 0 40 FDAB C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)c1nc(C(C)(C)C)no1 24048513 BVVWQHLDHDDKDX-ZETCQYMHSA-N 359.429 1.994 0 40 FDAB CC(C)N(C)C(=O)COC(=O)Cn1cnc2c(oc3ccccc32)c1=O 57941961 ZUMAJJHNDDPFBR-UHFFFAOYSA-N 357.366 1.553 0 40 FDAB C[C@H]1CN(C(=O)CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 105633014 OPJAXWXGPABBSB-QLFBSQMISA-N 368.499 1.719 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)Nc2nccs2)CC1 105801613 HBTMFVZFSVWRBP-AWEZNQCLSA-N 365.503 1.100 0 40 FDAB CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)cc1 57531461 VHOABDVMCKTZQB-KRWDZBQOSA-N 372.494 1.955 0 40 FDAB COc1ccccc1COC[C@@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 57941822 ANUUSDAMJBBMOF-OALUTQOASA-N 364.486 1.369 0 40 FDAB C[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NC(=O)NC(C)(C)C 58178839 WLGNKLNFUFXHCO-SECBINFHSA-N 373.504 1.480 0 40 FDAB CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 67197203 WYOWIUFVXSHUOL-UHFFFAOYSA-N 355.394 1.719 0 40 FDAB CC(C)[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1 61721683 WSKAUJLOZRANTE-SFHVURJKSA-N 373.501 1.997 0 40 FDAB O=C(CN1CCOCC1)Nc1ccc(-n2cnc(Cl)c2Cl)nc1 61720106 CKTNCGTYALBQAW-UHFFFAOYSA-N 356.213 1.845 0 40 FDAB COCc1cccc(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 58209774 KDPOCGLYEILABX-UHFFFAOYSA-N 369.487 1.304 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 306140630 UZGCIICVLOXTOP-GOSISDBHSA-N 373.482 1.247 0 40 FDAB COc1cccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 8379101 FQCZRPCTYUCHKT-UHFFFAOYSA-N 373.434 1.440 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 12816870 QOICXLSYZFVABA-IXDOHACOSA-N 359.470 1.469 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2 24074554 BLZFAQNYYRDKPB-UHFFFAOYSA-N 362.407 1.344 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1 8482582 JBDHFRDJQBWSBW-UHFFFAOYSA-N 358.375 1.684 0 40 FDAB O=C(COC(=O)c1ccccn1)NC(=O)Nc1ccc2c(c1)OCCO2 3507538 SOURJZQLZPDCKA-UHFFFAOYSA-N 357.322 1.358 0 40 FDAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13252437 ODBNHDLFZWXZMB-UHFFFAOYSA-N 370.818 1.397 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 13793936 LPYXIDCCWVBLIA-CQSZACIVSA-N 354.428 1.616 0 40 FDAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)C1=COCCO1 49951317 IDPQJRKJVLDCBB-XYOKQWHBSA-N 366.420 1.789 0 40 FDAB CCOC(=O)CCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O 18063687 GYFUNULOHDFYKS-UHFFFAOYSA-N 371.397 1.218 0 40 FDAB O=C(CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1 4426107 MNESCFWYVKCHRC-UHFFFAOYSA-N 372.402 1.336 0 40 FDAB COC(=O)c1c(CC(=O)NCc2ccc3c(c2)OCO3)[nH]c(C(C)=O)c1C 14198767 NXDFMPGXEDWJRR-UHFFFAOYSA-N 372.377 1.900 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1 14164042 RAMJENKWDWTXCP-UHFFFAOYSA-N 356.426 1.164 0 40 FDAB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)c1c[nH]c2ccccc12 14231107 WRMBZXKHJBYIIB-IAQYHMDHSA-N 364.423 1.706 0 40 FDAB CCCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4685295 UGEFDUVNOIXSFZ-KRWDZBQOSA-N 360.439 1.989 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679689 HSXKTKJFQMGYFF-UHFFFAOYSA-N 373.390 1.187 0 40 FDAB CCOC(=O)c1sc2nc(C[n+]3ccc(N(C)C)cc3)[nH]c(=O)c2c1C 6653023 FSBGCVZEQFNJRF-UHFFFAOYSA-O 373.458 1.872 0 40 FDAB O=S(=O)(NCCc1csc2ncnn12)c1ccc2c(c1)OCCO2 6669491 KOOUDKDLLXYDHU-UHFFFAOYSA-N 366.424 1.083 0 40 FDAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCCc1ccccc1 9156318 ODAAZNWZPKFDNI-LBPRGKRZSA-N 360.487 1.500 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)c1csc(NCCC(C)C)n1 7353391 RFYNQPHFMVFERI-UHFFFAOYSA-N 356.448 1.994 0 40 FDAB Cc1cccn2cc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)nc12 7985073 VSBHHBSEAPOGDZ-UHFFFAOYSA-N 372.450 1.637 0 40 FDAB CCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@H]2CS(=O)(=O)C[C@H]21 9304490 WHMLZMRRASSFRG-NEPJUHHUSA-N 354.453 1.050 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 9454221 DALBZRBRSCWMOJ-ZBFHGGJFSA-N 374.393 1.580 0 40 FDAB COc1ccc2[nH]c(=O)c([C@H]3CC(=O)NC4=C3C(=O)OC4(C)C)cc2c1 72324533 HUHJNJLXBOTCTR-LLVKDONJSA-N 354.362 1.730 0 40 FDAB biogenic O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc2[nH]nnc2c1 84452030 MYYMDCAIIZAISF-HOTGVXAUSA-N 357.414 1.248 0 40 FDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 95402843 NMZGAEOQVIWLJJ-SNVBAGLBSA-N 352.243 1.604 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC)cc1 22271117 GPWZQBAOYUISIO-KRWDZBQOSA-N 362.451 1.721 0 40 FDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccc(O)cc2)CC1 73759578 HDCKDYSDAUSGIJ-UHFFFAOYSA-N 366.417 1.854 0 40 FDAB COc1ccc2nnc(CCC(=O)Nc3ccc4c(c3)ncn4C)n2n1 79488505 QTJJSGIWNFPFHN-UHFFFAOYSA-N 351.370 1.591 0 40 FDAB CN(C)C(=O)NC[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 306135449 ORAOVPRDKCDITH-GOSISDBHSA-N 357.458 1.728 0 40 FDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408707697 CFCBKAKJAKTAKS-CYBMUJFWSA-N 355.394 1.052 0 40 FDAB COC(=O)C[C@@H](NC(=O)CN1CSCC1=O)c1ccccc1Cl 30374883 XVLXWTDFYYXEKK-GFCCVEGCSA-N 356.831 1.593 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCCC2)c1 42674529 MTCDZONHXRTESS-UHFFFAOYSA-N 367.515 1.933 0 40 FDAB CCOc1cc([C@H](C2=C(O)NC(=S)N[C@@H]2O)n2ccnc2)ccc1O 223812475 LCEJYIXOGJTQTF-ZIAGYGMSSA-N 362.411 1.143 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccccc2)s1 225139677 PSDOEACVJUCTNJ-VIFPVBQESA-N 356.429 1.242 0 40 FDAB Cc1ccc(C)c(OCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 224040585 UEAKRRLYFYLZKW-HNNXBMFYSA-N 354.472 1.470 0 40 FDAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ncccn2)CC1 225709813 LFUQUQYLVWFHHR-OAHLLOKOSA-N 355.398 1.002 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)c(F)c1 224223710 OJWCGGKAQJSKED-UHFFFAOYSA-N 370.381 1.070 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CN(Cc1ccncc1)CC2 96254008 NWEYZNBCMXXYEB-UHFFFAOYSA-N 354.458 1.333 0 40 FDAB CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96267577 DGSDWHIKDPQXRN-CYBMUJFWSA-N 370.457 1.919 0 40 FDAB Cc1cncc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)c1 96199804 VFFPTNZSLBQJJM-MRXNPFEDSA-N 353.426 1.402 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 247537345 AODPIQQILQLWGS-XEDVSQSKSA-N 366.498 1.653 0 40 FDAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3NC(=O)CCCC[C@@H]32)cc1 248015637 KRSBXMRZWXCXFG-KKUMJFAQSA-N 366.439 1.270 0 40 FDAB Cc1ccnc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)c1 247833880 MPTRIVVWJYUBNL-HNNXBMFYSA-N 364.467 1.446 0 40 FDAB CC(C)c1nccn1CCC(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257209486 BQPAZZCACQZVGC-LJQANCHMSA-N 357.458 1.549 0 40 FDAB CC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(O)n3n2)C1 257249830 JJYCVQFKHBZAGY-AWEZNQCLSA-N 373.457 1.536 0 40 FDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257340502 ZGKSANMNFHOUSI-KRWDZBQOSA-N 351.414 1.787 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1 257330986 XQWZQJISRIACQS-UHFFFAOYSA-N 369.469 1.724 0 40 FDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1 257324613 WPLSWTYBDPOJIC-SFHVURJKSA-N 355.413 1.898 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)N1CCc2c(cnn2-c2ccccc2)C1 644308847 GRHKXEJOOCLHAZ-SFHVURJKSA-N 368.437 1.130 0 40 FDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2CCc3ccccc3NC2=O)CC1 654627240 KCCXCZFONPVFHV-MRXNPFEDSA-N 358.442 1.498 0 40 FDAB Cc1cc(F)ccc1C[C@@H](C)NS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 656716083 FTQUEVKPDABZBR-TZMCWYRMSA-N 358.435 1.696 0 40 FDAB O=C(Cn1ccnc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 64007311 FQVQVLFWKZKYBH-LJQANCHMSA-N 371.460 1.835 0 40 FDAB C[C@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)n1cnc2c(N)ncnc21 668812986 VLMFEXJLBSKSKM-OCCSQVGLSA-N 367.413 1.182 0 40 FDAB CO[C@@H](C)C(=O)N1CCOC2(CCN(c3cncc(Cl)n3)CC2)C1 1775990163 DKNZPIMTNSLDKH-LBPRGKRZSA-N 354.838 1.363 0 40 FDAB CO[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1C 96105153 ZRLKELQAUHDTCA-SFHVURJKSA-N 370.405 1.844 0 40 FDAB COCCN1CC[C@@]2(CN(Cc3c(C)noc3C)CC(F)(F)C2)C1=O 585093296 NZCLQEJDHOANIC-MRXNPFEDSA-N 357.401 1.998 0 40 FDAB O=C(NC[C@@H]1CN(C(=O)C2(F)CC2)Cc2ccnn2C1)c1ccsc1 585098984 BICFUSVPKGMAHP-GFCCVEGCSA-N 362.430 1.835 0 40 FDAB C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cnccn1 585097510 KUWAGYBJZNYWIT-ZDUSSCGKSA-N 368.441 1.491 0 40 FDAB CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)n1cnnn1 1615151900 HPGMQCJFVCEWRK-SQWLQELKSA-N 368.445 1.709 0 40 FDAB COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCNC[C@@H]2CO3)c1 1772594649 DBPBYORZULSZQJ-MRXNPFEDSA-N 353.422 1.967 0 40 FDAB CCN1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 5438524 QNHVUNXZGCEYHD-UHFFFAOYSA-N 351.472 1.394 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 12087152 BCQHXJSNEJOSQL-QUCCMNQESA-N 358.438 1.968 0 40 FDAB O=C(NCCO)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226221 GRMDZNFPFGFXHE-OAHLLOKOSA-N 350.390 1.614 0 40 FDAB COc1ccc(N2CCn3c2nnc(C(=O)NCCC(C)C)c3=O)cc1 12233851 AESCMZRHOLNFIK-UHFFFAOYSA-N 357.414 1.575 0 40 FDAB Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N1CCOCC1 12678660 HHOSXMARQZLFSR-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 19502068 KAQGEQOXRPWPJX-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc21 19678062 UMSFZGOOZPVHIH-UHFFFAOYSA-N 359.407 1.360 0 40 FDAB CC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)COC1 19714620 IJIOPGAIHQOINM-OAHLLOKOSA-N 370.446 1.522 0 40 FDAB CSc1ccc(CCC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1 575604740 AJPIMGDRUSMDCN-UHFFFAOYSA-N 361.511 1.749 0 40 FDAB CN1C[C@H](CN2CCC(Oc3ncc(Br)cn3)CC2)CC1=O 1888834375 WXFDCPHBKOQKGI-LLVKDONJSA-N 369.263 1.561 0 40 FDAB CC(=O)N1CCC(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)CC1 1888849750 DGAFXCFLKUMRLR-UHFFFAOYSA-N 370.375 1.664 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c1 1888867048 HCKBFMCPSZFUFR-LBPRGKRZSA-N 363.443 1.177 0 40 FDAB Cc1nc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c2cnn(C)c2n1 1888890496 KOLPWCYCQZYQHY-GJZGRUSLSA-N 362.393 1.298 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4cc(N(C)C)ncn4)CC3)nn2)n1 1889139444 JUDYDCDJWJDUPK-UHFFFAOYSA-N 365.445 1.153 0 40 FDAB Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2ccc(C(F)(F)F)nc21 26129500 ZMKZKJHOERPXDU-UHFFFAOYSA-N 363.295 1.997 0 40 FDAB Cc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n2nccc2n1 2086945968 CHBOPXGTOYJADF-ZDUSSCGKSA-N 365.384 1.501 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]32)cs1 1565544114 KVQKWXZCMCBSLD-CABCVRRESA-N 364.496 1.942 0 40 FDAB COc1cc(-c2cnc3n2CCN(C(=O)c2csnn2)CC3)ccn1 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374.299 1.394 0 40 FDAB Cc1ncc(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)s1 78875200 UPHHSCVFCOUEFF-GHMZBOCLSA-N 363.443 1.536 0 40 FDAB COC(=O)[C@@H](CC(=O)CNC(=O)c1ccccc1)NC(=O)c1ccccc1 1677651 XEAYQSXSCODKHZ-QGZVFWFLSA-N 368.389 1.347 0 40 FDAB CSc1nc(Cl)c(Br)c(Nc2c[nH]c(=O)[nH]c2=O)n1 1686841 CEQJPHHLURECQL-UHFFFAOYSA-N 364.612 1.735 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C 3531842 VZIYBFQAOLMLLF-UHFFFAOYSA-N 369.381 1.928 0 40 FDAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 3609577 LVIOLNLVYXGNFK-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB Cn1c(=O)c2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2n(C)c1=O 3954148 VEFLECDGOCHYBW-UHFFFAOYSA-N 352.398 1.402 0 40 FDAB in-vitro COc1ccc(CCCNC(=O)NCCC(=O)N2CCN(C)CC2)cc1 57389845 QLGRZASEQUPGOR-UHFFFAOYSA-N 362.474 1.091 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(F)cc1 57380805 KINHMDRPULEOGD-HNNXBMFYSA-N 358.369 1.854 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1C(=O)O 35426970 UTQBTSPJLCKPGX-UHFFFAOYSA-N 359.367 1.470 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S 6963810 AGDKRRRFZGRTFH-UVTDQMKNSA-N 359.451 1.826 0 40 FDAB Cc1cccc2nc(COC(=O)c3ccc(S(C)(=O)=O)cc3)cc(=O)n12 7090184 IOKYWXYSVMFKQR-UHFFFAOYSA-N 372.402 1.763 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 107233556 DOBIPUAXUUGTED-WMZOPIPTSA-N 360.435 1.997 0 40 FDAB C[C@@]1(c2ccccc2F)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 58185870 MZRSSKXLAWYCME-KRWDZBQOSA-N 372.381 1.862 0 40 FDAB Cc1ccc(C(=O)N(C)Cc2nnc3ccccn23)cc1NS(C)(=O)=O 58343210 FJTIWWURIHDXCA-UHFFFAOYSA-N 373.438 1.681 0 40 FDAB COC(=O)[C@@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1cccs1 604569783 RKLIEZNYFNXKSE-INIZCTEOSA-N 371.418 1.832 0 40 FDAB Cc1cc(C)cc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1 101664481 UGBGUAQVWHZEJX-DGVSKKNDSA-N 358.394 1.264 0 40 FDAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(Cc2ccccc2)CC1 101969113 SVFDNDXJPQFNKF-KDURUIRLSA-N 368.485 1.824 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 12789757 HVQYKGBEHYUEQD-AWEZNQCLSA-N 369.421 1.850 0 40 FDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 12901703 KUBIHSKQJYMNPN-CRAIPNDOSA-N 370.405 1.598 0 40 FDAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCCNC(=O)c1ccco1)C(C)C 39554937 TWYZJITZCHMQJL-QGZVFWFLSA-N 371.437 1.889 0 40 FDAB O=CN1CCN(c2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)CC1 5274309 UWGCSWOQZWAPGC-ZDUSSCGKSA-N 352.394 1.373 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(Cc2ccsc2)CC1 14108338 BPRHBWLFLXJKNP-UHFFFAOYSA-N 354.439 1.682 0 40 FDAB O=C(Cn1cnc2ccsc2c1=O)NC(=O)Nc1ccc2c(c1)OCO2 14109259 GBDKKYBUHDWUQD-UHFFFAOYSA-N 372.362 1.535 0 40 FDAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(c2ncccn2)CC1 14141046 ZZFQDVJJRMOJEV-UHFFFAOYSA-N 362.437 1.944 0 40 FDAB COC(=O)C[C@@H](N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 19868915 LYCKRKGKLAYJLY-KRWDZBQOSA-N 363.435 1.835 0 40 FDAB Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C)CC2=O 9691635 JDYVRBFJAZCRCI-NWDGAFQWSA-N 351.424 1.367 0 40 FDAB CN1CC(=O)N(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)C1=O 8134749 BZLDPEUNLPVMHE-UHFFFAOYSA-N 369.406 1.895 0 40 FDAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)N2CCOCC2)c1 67246490 SUYBFRQRZYGYIO-UHFFFAOYSA-N 356.426 1.771 0 40 FDAB Cc1c([C@@H]2CCCN2Cc2cnc(N3CCN(C)CC3)nc2)cnn1C 91967550 PBCOLZLKSZCFMU-SFHVURJKSA-N 355.490 1.607 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)COC(=O)c2ccc(Cl)cc2)C1=O 18171421 IZZXRMFUKRNFGI-OAHLLOKOSA-N 353.762 1.249 0 40 FDAB COc1ccc2cc([C@H]3CC(=O)NC4=C3C(=O)OC4(C)C)c(=O)[nH]c2c1 72324671 LEMOUMGFCLYFKA-LLVKDONJSA-N 354.362 1.730 0 40 FDAB biogenic COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(C4CC4)C3=O)n2)cc1OC 8745376 IBXRBEMARJFYSJ-SFHVURJKSA-N 372.381 1.974 0 40 FDAB Nc1cc(N)nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n1 9154239 HSRURYPMHBVXTB-UHFFFAOYSA-N 358.427 1.499 0 40 FDAB Cc1cc(=O)n(C)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 75092033 KPSJBXRXJDIATK-XIKOKIGWSA-N 360.414 1.133 0 40 FDAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCCN4C(=O)CNC4=O)cc3c2C1 113192172 OKJOTIGTNGUODX-NSHDSACASA-N 354.410 1.574 0 40 FDAB COc1ccc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cn1 27065979 MPPBTPODCLQCLO-UHFFFAOYSA-N 374.422 1.623 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 306133775 MVQZGKGQCJLEDG-ZDUSSCGKSA-N 358.435 1.819 0 40 FDAB Cc1occc1-c1nn2c([C@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 1501040381 OPBGRQDWXZAFMG-JTQLQIEISA-N 367.456 1.893 0 40 FDAB Cc1cc(=O)c(OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c[nH]1 524735806 ZGGZVWNLFFXBJE-SFHVURJKSA-N 352.394 1.701 0 40 FDAB O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H](O)C1CCOCC1 531152558 QXOUWMVIWDEZON-LJQANCHMSA-N 362.470 1.047 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326774 MPBMHSOXNHFYMH-RNODOKPDSA-N 372.469 1.854 0 40 FDAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 40287399 MKCDYJQATLZLHE-OAHLLOKOSA-N 357.797 1.790 0 40 FDAB Cn1nc(C(=O)NCCc2c[nH]c3ccccc23)c2c1CCS(=O)(=O)C2 41070389 URRJQUXUXSTZIV-UHFFFAOYSA-N 372.450 1.345 0 40 FDAB CCc1ccc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)cc1 49006561 YTHYJXGICYCSIQ-UHFFFAOYSA-N 358.423 1.513 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2OC)ccc1O 40266245 NDEQJNICYSFHOJ-UHFFFAOYSA-N 358.350 1.442 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc2c(c1)OCO2 27385727 AMRIOOHOUXIFRS-LLVKDONJSA-N 362.407 1.896 0 40 FDAB COc1ccccc1OCc1cn(CC(=O)NCc2cccnc2)nn1 227160673 UZLBPZGULMGMJG-UHFFFAOYSA-N 353.382 1.577 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)s1 223133230 VEJSNLWDQMTDIN-UHFFFAOYSA-N 370.412 1.474 0 40 FDAB CS(=O)(=O)c1ccc(O[C@H]2COCCN(Cc3ccccn3)C2)cc1 85435981 MPIYWCWKSYXOBC-QGZVFWFLSA-N 362.451 1.765 0 40 FDAB biogenic,in-vitro O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2cccnn2)C1 225417853 WHXYBGVXVGSMFI-MRXNPFEDSA-N 367.409 1.399 0 40 FDAB OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCOCC2)CC1 225424009 BQHMEEBOHACIDB-UHFFFAOYSA-N 367.515 1.438 0 40 FDAB biogenic,in-vitro Cc1ccc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225422123 CQGWWUBYBCCTEO-AWEZNQCLSA-N 365.393 1.175 0 40 FDAB O=P1(O)O[Sn](c2ccccc2)(c2ccccc2)O1 195996368 YDDBPKLBIVMECU-UHFFFAOYSA-L 368.901 1.390 0 40 FDAB Cc1csc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 578218092 QAJBIEMPHCXERK-ZDUSSCGKSA-N 358.485 1.459 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)c1scnc1C(F)(F)F)CC2 582914287 DFGGXTVGVGKHFI-ZETCQYMHSA-N 361.349 1.645 0 40 FDAB Cc1noc(C)c1CN1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96059576 YYMCRAJWEHHEIK-UHFFFAOYSA-N 357.458 1.850 0 40 FDAB Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)C[C@@H]3CCCCC(=O)N3)n2)c1 332709744 ZCIPBUDHDKPWQG-OLZOCXBDSA-N 356.430 1.801 0 40 FDAB CC(=O)N1C[C@@H](NS(=O)(=O)c2cccnc2)CC[C@@H]1C(F)(F)F 583616450 VQQCZHHOZAHWMJ-CMPLNLGQSA-N 351.350 1.302 0 40 FDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 333369458 ISESWBXYKHYDRC-GXTWGEPZSA-N 364.471 1.284 0 40 FDAB COCC(=O)NCC[C@H]1CN(Cc2cccnc2OC)Cc2ccnn2C1 247820607 CXCJRJMWMVHZPR-HNNXBMFYSA-N 373.457 1.071 0 40 FDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)n1 248133751 NXJUZPGQZXQAED-KRWDZBQOSA-N 373.457 1.647 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cnc(N(C)C)nc2)n1 257254689 KEGLZCWYMMQOLA-GOSISDBHSA-N 354.458 1.911 0 40 FDAB O=C(CCNC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)NC1CCCCC1 69507747 WDGJWCXVLCDZOL-UHFFFAOYSA-N 374.466 1.781 0 40 FDAB Cc1ccc2oc(C(=O)N3CC[C@@H](O)[C@@H](O)[C@H](N4CCOCC4)C3)cc2c1 257220713 DLVIPVGGBUVCEN-MDZRGWNJSA-N 374.437 1.010 0 40 FDAB CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2F)C1 546251576 DDJRDXCVKNNMKU-NSHDSACASA-N 358.391 1.203 0 40 FDAB Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 623478145 ASGSLGDVZGDZNY-INIZCTEOSA-N 367.453 1.430 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 643807151 PUHOEWQHELMBFL-KRWDZBQOSA-N 350.369 1.353 0 40 FDAB CN1C(=O)CO[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccccc1 683440950 OSKHRUHNUBUJLH-IRXDYDNUSA-N 371.368 1.462 0 40 FDAB Cc1noc(CN(C)c2nc(-c3ccncc3)nc3c2CCNCC3)n1 72463778 LCEFHUAKLHXIDS-UHFFFAOYSA-N 351.414 1.555 0 40 FDAB O=C1NCCO[C@H]2CCCN(C(=O)c3cc(O)nc4ccc(F)cc34)[C@H]12 1261913224 NIKUOKIZQJHKCU-HOCLYGCPSA-N 359.357 1.199 0 40 FDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)C2CCCC2)CCO1 585282254 CEHDXVUKHNDCGZ-LJQANCHMSA-N 364.417 1.868 0 40 FDAB Cc1cnccc1C(=O)N1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 585277232 NMTBQYKBHLERFX-RHSMWYFYSA-N 354.410 1.570 0 40 FDAB COC(=O)c1c(SCC(=O)NC2CCC(C)CC2)nc(=O)[nH]c1C 31617907 GMLZTSVHTRMBKQ-UHFFFAOYSA-N 353.444 1.652 0 40 FDAB COc1cc(O)c2c(c1)C=CC[C@@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O 958317941 WFIUAGOQGGAREU-POHZPAGDSA-N 364.394 1.824 0 40 FDAB O=C(c1cocn1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615118418 CCTOOAMKQJXTLH-SFHVURJKSA-N 359.357 1.852 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NCCCn1cnc2ccccc21 15137708 XYBRZESMXSQDAC-UHFFFAOYSA-N 361.405 1.953 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1I 15223136 AGMFLMVSSRHZDV-USZNOCQGSA-N 367.142 1.734 0 40 FDAB CC(C)N1CCc2nc3ccc(C(=O)N4CCOCC4)cc3c(=O)n2CC1 19448635 OQRZFNJRAHYYEI-UHFFFAOYSA-N 370.453 1.135 0 40 FDAB Cc1c(NC(=O)c2cccn3nnnc23)cccc1C(=O)N1CCCC1 19661837 ZIQMZUXDFLBMEE-UHFFFAOYSA-N 350.382 1.921 0 40 FDAB CN1CCC(c2nnc3n2CCN(C(=O)COc2ccc(F)cc2)C3)CC1 19711244 UOJIJBASUMFURI-UHFFFAOYSA-N 373.432 1.648 0 40 FDAB Cc1nc2cc(C(=O)N3CCO[C@@H](C(=O)N4CCCCC4)C3)ccc2[nH]1 19747340 DNIHSCKDBXDRIF-QGZVFWFLSA-N 356.426 1.725 0 40 FDAB C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(C)c(=O)c2S1 4107738 ONBWYZGZQILEDQ-NXEZZACHSA-N 355.485 1.204 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H]1c1cnn[nH]1 657144489 KXEOOEZUZDFNIV-DOTOQJQBSA-N 358.423 1.761 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2657727 FGNSAJRDJUZKED-HNNXBMFYSA-N 367.423 1.724 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@]1(O)CSCc2ccccc21 2087143967 MCTYIGKSANDFSC-KRWDZBQOSA-N 362.476 1.615 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c1C 1565553726 CLCMCEJQYWYSDK-ROUUACIJSA-N 367.453 1.604 0 40 FDAB COCCCN[C@H](CC(=O)Nc1ccccc1Br)C(=O)O 4939722 GNANTKKRTXZWLW-GFCCVEGCSA-N 359.220 1.857 0 40 FDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2sc(C)nc2C)cc1 11739634 VEMGPPPGHOLKNW-UHFFFAOYSA-N 360.439 1.878 0 40 FDAB Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)nn12 13846189 OTYGEIQTNAFQEA-UHFFFAOYSA-N 373.847 1.505 0 40 FDAB Cn1cncc1C(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775970306 ARQGDAHLHXETBG-UHFFFAOYSA-N 366.400 1.979 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCCOc1ccc(F)cc1 29298738 BMKBKXUCKJEDIA-UHFFFAOYSA-N 356.357 1.516 0 40 FDAB Cc1cc(-c2nnc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)o2)n(C)n1 38488064 CCXYATZLUMKNJE-HZMBPMFUSA-N 355.354 1.946 0 40 FDAB CN(C)c1nc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N(C)C)n1 575607961 RINARTQDDVTXKR-UHFFFAOYSA-N 369.351 1.347 0 40 FDAB C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@]2(C)C=CC(=O)C=C12 13783390 VHRSUDSXCMQTMA-IRWUYFHFSA-N 374.477 1.804 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1F 40113926 ZSLPNPQSFVBHHD-CQSZACIVSA-N 373.432 1.842 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1(C(=O)O)CCCCC1 102396024 ZLAPEFBYNBIBAI-BETUJISGSA-N 350.415 1.455 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21 814664 PEYWYOXVXPJLHM-UHFFFAOYSA-N 361.379 1.376 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CSC[C@@H]1C(=O)NCc1ccccc1 24666017 HQMRHMSPFVIQJZ-QGZVFWFLSA-N 372.494 1.797 0 40 FDAB COC(=O)[C@@H]1SC[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1 1388690 FYJXOMLVELCADQ-QWRGUYRKSA-N 358.803 1.961 0 40 FDAB COc1ccccc1CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 25815519 VLOSLSZRCLBJTN-QGZVFWFLSA-N 351.410 1.824 0 40 FDAB CCOc1cc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)ccc1O 4908610 BZSJGXXUXHBPLL-XUWXXGDYSA-N 362.382 1.448 0 40 FDAB COc1cccc(CN(C)C(=O)CN2CCN(c3nccs3)CC2)c1 35269014 ZVFGFQHRZQWGLV-UHFFFAOYSA-N 360.483 1.932 0 40 FDAB CN(C(=O)COC(=O)/C=C/c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6642813 UYORLJXQMAFPCP-GJBLVYBDSA-N 355.387 1.028 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 6679643 QMCHZURSGGBDIZ-UHFFFAOYSA-N 351.334 1.679 0 40 FDAB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)cc1 6961565 KBONJMMTQAJNAY-DHDCSXOGSA-N 366.377 1.983 0 40 FDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccs1 7420982 MGQGRZFOFYLXHO-NSHDSACASA-N 353.469 1.855 0 40 FDAB CCn1cc(-c2cc(Br)cs2)nc2c(=O)n(C)c(=O)nc1-2 7720143 KQLNAMCOOZRKEY-UHFFFAOYSA-N 367.228 1.953 0 40 FDAB COc1cccc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 27347582 DQEWEJBANMMOJT-UHFFFAOYSA-N 350.440 1.853 0 40 FDAB Cc1c([C@@H](C)NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cnn1C 58245712 DSUJLBQKIKAUEU-GFCCVEGCSA-N 367.409 1.991 0 40 FDAB CN(Cc1ccc(OCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100452022 CHSRCBKEXPLVCF-INMHGKMJSA-N 366.483 1.762 0 40 FDAB NC(=O)N[C@H](CC(=O)OCC(=O)c1ccc2c(c1)OCO2)c1ccccc1 11742306 TVZARRNLCVLLGS-CQSZACIVSA-N 370.361 1.941 0 40 FDAB CN1CCN(CCCOC(=O)c2cn(Cc3ccccc3)nc2N)CC1 22862336 OABOQKCRGVHEFI-UHFFFAOYSA-N 357.458 1.308 0 40 FDAB Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 9337732 VBJMKUBOTKPDLG-UHFFFAOYSA-N 370.456 1.063 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1cccnc1 13943981 LJTNCQDKFZVHRU-UHFFFAOYSA-N 354.410 1.386 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2F)NC(=O)N[C@]1(O)C(F)(F)F 6439218 OTMQGFFEGSSDDZ-OUJBWJOFSA-N 350.268 1.610 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O 9494677 BNRBZQIEXZXIFL-PXAZEXFGSA-N 373.384 1.436 0 40 FDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl 7248605 YSYWBAKIURBDLQ-NSHDSACASA-N 351.877 1.928 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1 15754437 ACXIMMAPMZGWGZ-UHFFFAOYSA-N 372.402 1.596 0 40 FDAB COCCOc1ccc(S(=O)(=O)Nc2ccsc2C(N)=O)cc1 83911820 AVXOFNVSCCARPG-UHFFFAOYSA-N 356.425 1.673 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H]2C[C@H](C)OC2=O)c1 8392484 CSRRFJOTCYZSSG-FZMZJTMJSA-N 355.412 1.578 0 40 FDAB C[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1nc2ccccc2[nH]1 8775055 JXGOJQPKLUIASW-CYBMUJFWSA-N 352.394 1.935 0 40 FDAB Cn1cc([C@H]2CN(S(=O)(=O)c3cc(F)ccc3Cl)CCO2)cn1 97012585 YMCFRPZPSPMSIR-CYBMUJFWSA-N 359.810 1.975 0 40 FDAB COc1ccccc1CC(=O)N1CCCN(Cc2nnc(C)n2C)CC1 89736100 ZQGFKSVNWILHNQ-UHFFFAOYSA-N 357.458 1.409 0 40 FDAB O=S1(=O)C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccccc21 89857833 KHYFXVZBNUYADL-GFCCVEGCSA-N 359.375 1.772 0 40 FDAB CCS[C@H]1CCCCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 75610590 LOAMABXCLSQWMO-INIZCTEOSA-N 357.564 1.821 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(CNc2nnnn2-c2ccccc2)c1 26707897 NICLFZNBNUTLBL-UHFFFAOYSA-N 372.454 1.961 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2CCCC3)CC1 674748173 PSEBYIMRFMTLDC-UHFFFAOYSA-N 358.467 1.866 0 40 FDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709562 UDWVBPXGBKRIKU-UHFFFAOYSA-N 355.394 1.318 0 40 FDAB NC(=O)Cn1cc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cn1 527984596 CVZYLVSXPQWAGQ-OAHLLOKOSA-N 361.833 1.625 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(=O)CC 408698645 QWDIZXPRXBACJC-UHFFFAOYSA-N 369.487 1.760 0 40 FDAB CCOC(=O)[C@H]1CSCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 567556578 ZALRSKQBCOVCLQ-YMAMQOFZSA-N 368.499 1.579 0 40 FDAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cnn2cccnc12 72324212 HCGMKKBMAGKUSJ-MRXNPFEDSA-N 366.425 1.618 0 40 FDAB CN(C)CN1C(=O)S/C(=C2\C(=O)N(CN(C)C)c3ccccc32)C1=O 31771894 IHSVGUNOFKTLFA-YPKPFQOOSA-N 360.439 1.478 0 40 FDAB in-vitro O=C(Nc1ccon1)c1nc(N2CCOCC2)ncc1Br 72243015 AVMUUMUTKUOOQN-UHFFFAOYSA-N 354.164 1.316 0 40 FDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217535025 BJNIDTBQLITHMW-GHMZBOCLSA-N 360.432 1.145 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)NCCN1CCCCCC1 48291001 NGFONJASIPYUCE-UHFFFAOYSA-N 356.264 1.603 0 40 FDAB Cc1ccccc1NCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 570658951 LIANEAQNZXCEJI-JKSUJKDBSA-N 352.456 1.212 0 40 FDAB CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(Cc2ccccc2)CC1 40154935 FECYCXCIRXWPGZ-KRWDZBQOSA-N 363.527 1.979 0 40 FDAB O=C(NCc1ccccc1Cl)c1nc(CC(=O)N2CCOCC2)no1 40288318 DXZAQTHQJKACRQ-UHFFFAOYSA-N 364.789 1.054 0 40 FDAB Nc1cc(N)nc(S[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n1 80338753 OAUHXXFDGPGASV-SWLSCSKDSA-N 359.455 1.770 0 40 FDAB CN(C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)C1CCCC1 44900838 YIISNBDJWXTPTD-UHFFFAOYSA-N 366.483 1.863 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226056 SYTGTKPIJCOKPC-INIZCTEOSA-N 366.443 1.371 0 40 FDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2O1 96066322 BNRNTAHBYJRCTG-JQHSSLGASA-N 355.442 1.742 0 40 FDAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc(N)c1 96520823 SQZLYEOIQDDUHM-MRVPVSSYSA-N 373.066 1.790 0 40 FDAB CN1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2C)CC1 96147573 YUWVRDJUUAUKTC-UHFFFAOYSA-N 354.458 1.470 0 40 FDAB CN(C)C(=O)N[C@H]1COC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 96220720 QQEREMKDHWNDOA-CQSZACIVSA-N 367.471 1.270 0 40 FDAB O=C1COC2(CCN(Cc3cccnc3)CC2)CN1Cc1ccccn1 96049213 XQSSFVBEQALMMQ-UHFFFAOYSA-N 352.438 1.870 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248093558 CNPQLLVHIADDDV-ATUDVECKSA-N 369.465 1.715 0 40 FDAB O=C(NC1CCC1)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247735200 KKZMOMVCCWJNNR-MRXNPFEDSA-N 354.410 1.837 0 40 FDAB CC(=O)O[C@H]1[C@@H]2COC(=O)N2C[C@@H](OCc2ccccc2)[C@H]1OC(C)=O 255189971 UCYUUZHBCDFVLU-VVLHAWIVSA-N 363.366 1.270 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257255093 KGBZVAYHHKKOPK-GOSISDBHSA-N 358.446 1.211 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)cc1 257343728 ZUDQWIJOWQKKBG-RDJZCZTQSA-N 352.456 1.907 0 40 FDAB CCn1ncc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1C 257242202 IBMUJHRWKYKKTI-HUUCEWRRSA-N 351.428 1.024 0 40 FDAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260897256 KEOLQDOMFSTMBI-GFCCVEGCSA-N 358.460 1.631 0 40 FDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCCC1(F)F 673162622 LDVAKULPTNJEBW-JQWIXIFHSA-N 356.373 1.557 0 40 FDAB CCn1ccc(CN(C)[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 683030357 VUCWPGPHZGVXER-INIZCTEOSA-N 356.474 1.467 0 40 FDAB Cc1nn(C)c2nc(-c3ccncc3)nc(N3CCC(=O)NC[C@@H]3C)c12 72417753 SZIBGELHJBPZLJ-NSHDSACASA-N 351.414 1.449 0 40 FDAB CCOCCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1[C@H]2CCCC[C@H]12 1775993416 ZZTKMFDFZLRIIH-YVSFHVDLSA-N 364.486 1.678 0 40 FDAB CO[C@@H]1C[C@H](CN[C@H](C)c2cccc(CO)c2)N(c2cc(N)ncn2)C1 1775957582 CBNMUBUXPPDFBK-KBRIMQKVSA-N 357.458 1.496 0 40 FDAB CCCOCc1ccccc1CNC(=O)NCc1nnc2n1CCOCC2 1614695718 YLFGBQNQZDFHIQ-UHFFFAOYSA-N 373.457 1.777 0 40 FDAB O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1CO 637612122 JTNRZWRBWFLQGF-GBESFXJTSA-N 361.486 1.568 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)NCCc2nc3ccccc3[nH]2)cnn1C 649281074 FTSBQXNRERMDJM-CABCVRRESA-N 352.442 1.267 0 40 FDAB C[C@H]1[C@@H](O)CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 297390773 KKWQWFFIUIZDLN-GUYCJALGSA-N 363.433 1.985 0 40 FDAB O=C(N[C@H]1COCCC12CCN(C(=O)c1ccnc(F)c1)CC2)C1CC1 585103666 MUDWLQNAIGTTTB-HNNXBMFYSA-N 361.417 1.758 0 40 FDAB Cn1cnc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)n1 585108447 LUIPLEKFGAGBFG-LPHOPBHVSA-N 371.441 1.438 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCOC[C@@](O)(COc2ccccc2)C1 585276708 HMWNQSLDXJQHOL-LJQANCHMSA-N 358.394 1.835 0 40 FDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1cc(F)ccc1F 585282410 JPFNURNYYZPLAO-WMZOPIPTSA-N 357.397 1.446 0 40 FDAB Cc1snnc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)[C@H]2C 585113549 IMZFVDVBZQVDLY-LBPRGKRZSA-N 364.471 1.479 0 40 FDAB CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)c1c(F)cc(OC)cc1F 681693983 CFMDZRLABVOZFA-ZDUSSCGKSA-N 362.398 1.605 0 40 FDAB O=C(Nc1cccs1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 36708249 REZSYRSYAVLBHP-UHFFFAOYSA-N 374.470 1.729 0 40 FDAB CC[C@@H]1CN(C(=O)COc2ccccc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594853 BCPJMJGCOBBJQV-BHIYHBOVSA-N 362.470 1.243 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12144568 RPYLXCHGABYAAM-CQSZACIVSA-N 359.474 1.129 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 12693553 ZIYXDQCJKYWMLA-GJZGRUSLSA-N 355.394 1.326 0 40 FDAB O=C(CN1C[C@@H]2CCC[C@H](C1)C2N1CCOCC1)Nc1nccs1 19406349 PVGZOMUMHHSMLX-MZBDJJRSSA-N 350.488 1.514 0 40 FDAB CC(=O)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700896 BMPIMDVRLBLGHI-FQEVSTJZSA-N 353.422 1.558 0 40 FDAB CCn1ccc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)n1 19749385 GNHVOZWZTBNORS-UHFFFAOYSA-N 371.441 1.766 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(F)cc1 206455157 AXSPSOYRNZENHA-NXKWAJLKSA-N 372.352 1.115 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O 8105096 HPTMNMYFFQEKRP-JYRVWZFOSA-N 366.395 1.200 0 40 FDAB CCn1nc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O 4525552 JCBJOHGRHIAORT-STQMWFEESA-N 373.409 1.209 0 40 FDAB Cc1nsc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888866643 WDNINNYIEYATLK-GASCZTMLSA-N 364.496 1.745 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1(F)CCC1)C2 1614947699 SOZNLVFXKGGZDJ-MRXNPFEDSA-N 351.447 1.890 0 40 FDAB C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@]12CCN(c1ccsc1)C2=O 1614939135 SQDWCKCOWIXMNX-BFUOFWGJSA-N 371.462 1.962 0 40 FDAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)NCc4ccon4)OC[C@H]3C2)cn1 1565543362 BLEJZBSKZTXHKE-NXHRZFHOSA-N 373.457 1.434 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@H]2O1 1565544518 MUGQNUMROLUNPI-JCGIZDLHSA-N 371.437 1.863 0 40 FDAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 4249489 HAEJNEIXENJRPO-JTQLQIEISA-N 371.397 1.228 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COC)n1 11854529 JNEASYKTHYBLPJ-UHFFFAOYSA-N 359.411 1.831 0 40 FDAB CC(C)N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 12441379 YZRXTJXKKWYSOU-UHFFFAOYSA-N 361.442 1.268 0 40 FDAB O=C(COc1ccc(Cl)cc1Cl)NC[C@]1(OCCO)CCOC1 617717964 PILWCPZDMOMARH-OAHLLOKOSA-N 364.225 1.656 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccccc1Br 238867968 MFDKQDQPFXICQJ-UHFFFAOYSA-N 373.210 1.984 0 40 FDAB C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)NC(=O)NC1=O 40110900 RUCOVHCESDFIBX-GOSISDBHSA-N 353.334 1.722 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 40154065 SKKOYNAJOGPFTQ-XTZNXHDOSA-N 370.365 1.091 0 40 FDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)NC2CC2)o1 30707006 YUBPQRPDVCMYBY-ZDUSSCGKSA-N 362.407 1.454 0 40 FDAB COc1cc2ncn(CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c(=O)c2cc1OC 101369839 XPGCLSMKYDFJLA-IHRRRGAJSA-N 369.421 1.742 0 40 FDAB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)c3ccc(F)cc3)[C@@H]2C1=O 101363602 LFDVKZGTDCDSIB-HOCLYGCPSA-N 367.336 1.534 0 40 FDAB CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2ccc(C)nc21 20735523 VJAUBBKLZSXWLB-UHFFFAOYSA-N 358.442 1.177 0 40 FDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 32596958 VNUIDEGHDGXNJF-UHFFFAOYSA-N 362.363 1.825 0 40 FDAB C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cncn2)cc1 32895664 WQNYEMRJINXGEZ-MCIONIFRSA-N 365.459 1.272 0 40 FDAB CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 32910635 GLVLBVJJDIORIK-CYBMUJFWSA-N 374.846 1.172 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 32912006 YCGKKFAHZVGNTR-UHFFFAOYSA-N 366.425 1.830 0 40 FDAB CCOC(=O)c1oc2ccccc2c1COC(=O)CC[C@H]1NC(=O)NC1=O 22491988 NVHDWZMEILRMKA-GFCCVEGCSA-N 374.349 1.641 0 40 FDAB Cc1cccc(C(C)C)c1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22912003 CMPDWLPLJHFZHQ-UHFFFAOYSA-N 372.513 1.953 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 23692373 OAVVZESYOADEHA-UHFFFAOYSA-N 374.846 1.658 0 40 FDAB CN1CCN(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)CC1 2750904 INLDKGOALJNVSQ-UHFFFAOYSA-N 363.355 1.996 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 31687147 FXVHYWDYCTYIEK-INIZCTEOSA-N 373.409 1.612 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1 20427689 GBPWRJFQYIPTAV-INIZCTEOSA-N 351.366 1.176 0 40 FDAB CCCN1CCc2c(sc3c2c(N[C@H](CC)CO)nc2nnnn23)C1 20518022 QIKLRSBRKVWYEL-SNVBAGLBSA-N 361.475 1.685 0 40 FDAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCS(=O)(=O)C1 6158171 DYPOQGYVEKTLGC-URZJAHPPSA-N 369.483 1.439 0 40 FDAB CNC(=O)CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7546614 WCZNJGQHJLPLKV-UHFFFAOYSA-N 365.484 1.220 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 8423918 HADSRHHOEKNORS-UHFFFAOYSA-N 367.452 1.415 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101711457 XLAFSXXHMPZZBR-OKZBNKHCSA-N 368.481 1.847 0 40 FDAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cnn(C)c1 32540108 LLXKMVXYOATXJN-UHFFFAOYSA-N 359.821 1.725 0 40 FDAB COc1ccc(C(C)=O)cc1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 32674802 LEYLWTHVOJWIOX-GOSISDBHSA-N 368.389 1.720 0 40 FDAB C[C@@H]1C[C@@H](OC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(=O)O1 8328212 TVAITNYHYTVWEX-LDYMZIIASA-N 361.803 1.451 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCN1CCCC1=O 100143681 GQTVVUWYMSKYCN-ZFWWWQNUSA-N 353.426 1.638 0 40 FDAB 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CCn1c(SCc2cc(=O)n(C)c(=O)n2C)nc2ccsc2c1=O 12789393 VJHNHNNPXCKDJA-UHFFFAOYSA-N 364.452 1.168 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccccn2)CC1 12765666 GVGUAXIOQQGKFJ-UHFFFAOYSA-N 366.343 1.611 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1 48333312 BAAOFRUNMBGIFA-AWEZNQCLSA-N 355.412 1.580 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)s1 12877627 VHEOJIYGILQLQG-GFCCVEGCSA-N 372.855 1.669 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)cc1 3414004 LSPOPZAFSWZIGY-UHFFFAOYSA-N 352.456 1.816 0 40 FDAB COc1ccnc(NCc2ccc(S(=O)(=O)N3CCCC3)s2)n1 12974634 KCCCVGSJAJHIRX-UHFFFAOYSA-N 354.457 1.943 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 12996403 YCFAFSYKUXJOGM-UHFFFAOYSA-N 363.420 1.500 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CCN1C(=O)c3ccccc3C1=O)C2=O 3572835 PHWQWLGLUMMUQP-HXPMCKFVSA-N 355.394 1.783 0 40 FDAB CN(CC(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(F)cc1 16009412 ZUDBROVDHMBTRX-UHFFFAOYSA-N 366.414 1.641 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N2CCCC2)cc1 4287149 VQRSSSYPBJKAIO-CQSZACIVSA-N 368.455 1.170 0 40 FDAB CC(C)N1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1 65154772 PLSFZVQJFXRVGM-UHFFFAOYSA-N 372.448 1.658 0 40 FDAB CN(CC(=O)NCCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 39985789 ZMIXQUJISYLLJD-OAHLLOKOSA-N 356.513 1.155 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OCO2)C1=NS(=O)(=O)c2ccccc21 8060243 TWLYGYWQQJCDDX-UHFFFAOYSA-N 373.390 1.435 0 40 FDAB CN(CC(=O)Nc1ccccc1C(N)=O)Cc1nc(=O)c2ccccc2[nH]1 14773892 TXUJRVGITJNZKJ-UHFFFAOYSA-N 365.393 1.093 0 40 FDAB COc1ccccc1N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 6831082 JXNKONZOTYFBSQ-UHFFFAOYSA-N 357.410 1.757 0 40 FDAB CC(=O)N[C@@H](C(=O)NCc1ccccc1N1CCOCC1)C1CCCC1 67679675 CQRVOPQLKWFCRW-LJQANCHMSA-N 359.470 1.834 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005331 PTGJOIZUYNDLAF-MRXNPFEDSA-N 351.472 1.857 0 40 FDAB Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)NC3CC3)CCC2=O)c1 9397564 AKGWXJSCVKIWRA-ZDUSSCGKSA-N 357.410 1.997 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)CC1 408623874 QFJDOJYSKJSAGO-UHFFFAOYSA-N 369.443 1.416 0 40 FDAB Cn1cc(C(N)=O)cc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 87005141 DPINFEFWQVWPFE-UHFFFAOYSA-N 354.410 1.615 0 40 FDAB CN(CC(=O)NCCc1csc(-c2ccccc2)n1)S(C)(=O)=O 84839999 CHUYBFKRIGLDSI-UHFFFAOYSA-N 353.469 1.360 0 40 FDAB Cc1c(C(=O)NCC(=O)NC(C)C)nnn1-c1cccc2cnccc12 95953717 AEFAMTKEEVVQQQ-UHFFFAOYSA-N 352.398 1.378 0 40 FDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217511696 RTPYMDJKZQOBPY-UHFFFAOYSA-N 374.459 1.537 0 40 FDAB O=C(N[C@@]1(CO)COc2ccccc2C1)c1cc(N2CCOCC2)ccn1 529821685 WRASHMSQGKKGGO-FQEVSTJZSA-N 369.421 1.014 0 40 FDAB COc1cc(OC)cc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1 564715840 MESQIYZENAKZFV-HOTGVXAUSA-N 353.440 1.893 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 223294608 NZPITFMLHCNLPN-UHFFFAOYSA-N 354.815 1.683 0 40 FDAB CS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2cccc(Cl)c2Cl)C1 572729250 VMQMKTCQOXFTCR-QPUJVOFHSA-N 367.254 1.743 0 40 FDAB Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccn([C@@H]2CCNC2)n1 570963314 WJBBHNWOOLTRIZ-GFCCVEGCSA-N 357.443 1.835 0 40 FDAB CCc1nn(C)c(CC)c1CC(=O)N1CCN(c2ccc(F)cn2)CC1 332137993 MMKCAUMRUUCGOC-UHFFFAOYSA-N 359.449 1.970 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccco1)C2 96230515 PFYHFSGVPJFHHW-IBGZPJMESA-N 354.410 1.514 0 40 FDAB COC(C)(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 331153905 VDPMOSZQEBYTRF-UHFFFAOYSA-N 354.472 1.476 0 40 FDAB COc1cccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)c1 96077018 KSNYDWOKGVNPIW-QGZVFWFLSA-N 352.456 1.861 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 248150031 XEOHNQCPARRTBZ-WMZOPIPTSA-N 365.499 1.882 0 40 FDAB CCOC[C@@H]1CN(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCO1 529036908 VNQXGTXCLLEILC-AWEZNQCLSA-N 356.444 1.668 0 40 FDAB Cc1cc(C(=O)N2CCO[C@H](c3nccnc3N)C2)c2c(C)noc2n1 257303233 SGHBPSIZNVAKPM-LBPRGKRZSA-N 354.370 1.426 0 40 FDAB COCC(=O)N1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 257298233 RKTWBLULRLCUKF-GFCCVEGCSA-N 362.455 1.890 0 40 FDAB O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)C1(c2ccccc2F)CC1 257213329 CHBVTLPMYYQFJQ-SFHVURJKSA-N 356.401 1.405 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257333844 YDIFCDXEJZGMLM-MRXNPFEDSA-N 359.455 1.784 0 40 FDAB C[C@@H]1C(=O)N(C)CN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 646125414 VCPUMRDWEJVYMV-MRVPVSSYSA-N 355.320 1.640 0 40 FDAB Cc1nc2c(CCNC(=O)N3CCC4(CC3)NC(=O)CO4)cccc2o1 1615590100 JVMDTRKTYQPVDP-UHFFFAOYSA-N 358.398 1.327 0 40 FDAB C[C@@H]1CN(C(=O)[C@](C)(CC(=O)O)c2ccc(F)cc2)C[C@]2(CCOC2)O1 634919782 VBKPDBPZNUCXHK-ZNOIYHFQSA-N 365.401 1.965 0 40 FDAB COc1ccc(Br)c(CN2CCC[C@@](O)(CC(N)=O)C2)c1 643746543 OYMPRUKBYKNNOH-OAHLLOKOSA-N 357.248 1.660 0 40 FDAB Cc1c(Br)cccc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 644002323 JXVRAPCSGKANQX-OAHLLOKOSA-N 355.232 1.600 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)COCc2cccc(Cl)c2)C1 644031566 CBEIIMYFFWKSOF-QGZVFWFLSA-N 354.834 1.346 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCCc1ccccc1C(F)(F)F 644325084 PAEYYTPCURQNCW-AWEZNQCLSA-N 358.360 1.738 0 40 FDAB CSc1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 390830055 ILIDIDUVKFDUFP-ZDUSSCGKSA-N 354.439 1.855 0 40 FDAB Cc1cccc(NC(=O)C(=O)NCC2(OCCO)CCSCC2)c1C 828765394 MOICESHXBGKKNU-UHFFFAOYSA-N 366.483 1.633 0 40 FDAB O=C1COc2ccc(C(=O)N3CCc4ccc(C(=O)O)cc4C3)cc2N1 95442113 GCAMUBKKIPLGIR-UHFFFAOYSA-N 352.346 1.914 0 40 FDAB Cc1nc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c(-c2ccccc2)s1 663292535 YGMJCFLLWRUEGQ-LBPRGKRZSA-N 368.436 1.593 0 40 FDAB COc1ccc(CCNC(=O)NCC2(OCCO)CCSCC2)cc1 888107087 LBGJCVQBSQKTPU-UHFFFAOYSA-N 368.499 1.812 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cccc(N(C)C)c3)C[C@H]21 12088725 XSPIKZVILLVDIP-PBHICJAKSA-N 352.438 1.946 0 40 FDAB Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc21 12147738 UGYBPBNEUABXMR-UHFFFAOYSA-N 373.390 1.817 0 40 FDAB COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1OC 13576854 FVDHBXQOSUJIFW-PSLQGDIJSA-N 359.378 1.113 0 40 FDAB Cc1nc(C)n(CCC(=O)N2CCc3nc4ccccc4c(=O)n3CC2)n1 19286001 NPIIZCACCYHDHX-UHFFFAOYSA-N 366.425 1.080 0 40 FDAB CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@H]2CCCO2)C3)CC1 19588292 YJYLGUXPKMCZIO-QGZVFWFLSA-N 374.485 1.366 0 40 FDAB COc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cnc(C)cn3)CC2)cn1 19749734 YUBFXZOSXVLASH-HNNXBMFYSA-N 369.425 1.613 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 1888879567 JXWHZAGSJXIPIU-GFCCVEGCSA-N 358.485 1.141 0 40 FDAB Cc1cncc(N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)n1 1889085206 BQXCAPMJJMWTFP-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB COc1cc2ncnc(N3CCO[C@@H](C(=O)NC4CC4)C3)c2cc1OC 1889128303 GFQPFCKUPPZYFU-MRXNPFEDSA-N 358.398 1.131 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 244969131 GZOICFALRMOEDF-QGZVFWFLSA-N 360.391 1.603 0 40 FDAB COc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)on1 1146934866 JGSKLWAFIJBFHF-GOEBONIOSA-N 371.393 1.296 0 40 FDAB CCc1ccc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)cn1 1565554836 GSWXDFSGMSXNFA-XLIONFOSSA-N 373.497 1.986 0 40 FDAB O=C(Nc1ccccn1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273355 XUSQMDWERBFWCA-GFCCVEGCSA-N 354.366 1.780 0 40 FDAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4314145 GKBLWSLWCBFTQO-NSHDSACASA-N 369.381 1.249 0 40 FDAB CCc1cnc2c(c1NCc1cccc(OC)c1)c(=O)n(C)c(=O)n2C 12227181 DDWYEUGPNRWISI-UHFFFAOYSA-N 354.410 1.815 0 40 FDAB Cc1nnc2ccc(OCCNS(=O)(=O)c3cc(F)ccc3F)nn12 13846125 INWAQUJPINZKOC-UHFFFAOYSA-N 369.353 1.068 0 40 FDAB O=C(c1cc[nH]n1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974859 UGSJNUUGBCNARA-UHFFFAOYSA-N 355.785 1.984 0 40 FDAB CC(C)c1noc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 2086889740 WASAXBSJDYVPOI-UHFFFAOYSA-N 354.418 1.491 0 40 FDAB O=C(Cc1ccsc1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606592 CKFBCDLASYAQHS-UHFFFAOYSA-N 358.467 1.808 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)C1 575615011 APSARCFSLWMXMV-RWMBFGLXSA-N 358.460 1.031 0 40 FDAB Cc1cnn(-c2cccc(N3CCN(c4ccc5nncn5n4)CC3)n2)c1 376526612 ISRVOMOOILHYJV-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB CC(C)CC1(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)CCC1 79094318 SXKRNOWTJDCEIV-UHFFFAOYSA-N 362.430 1.193 0 40 FDAB 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CCCS(=O)(=O)N1CC2(C[C@@H](COCc3cccnc3)CCN2C)C1 306144967 ZTQWIWDOTQBRRB-INIZCTEOSA-N 367.515 1.734 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)cc2c1N(C)C(=O)C2(C)C 71195967 RRYUWVSFFXJJNW-GFCCVEGCSA-N 352.456 1.706 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)s2)CC1 575896873 QEQBJBHYOXYQSL-DRQUAOQDSA-N 372.512 1.812 0 40 FDAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1CCCO1)c1ccccc1F 225847316 GWDYGMCXEZKIPJ-ZDUSSCGKSA-N 358.435 1.667 0 40 FDAB O=C(NCc1cccs1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 44213525 UCCWJVLTMFINMT-NSHDSACASA-N 358.423 1.847 0 40 FDAB Cn1ncc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1N 583624000 PWMLQSFIGZDSQH-CYBMUJFWSA-N 356.430 1.291 0 40 FDAB CC(C)NC(=O)N1CCc2cc(C(=O)NCC3CC3)c(N(C)C)nc2CC1 96260378 QTFMCNSOPIHZMM-UHFFFAOYSA-N 373.501 1.806 0 40 FDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2cccnc2)CC3)C1=O 96036507 XSRASUVCIPUMRZ-OAQYLSRUSA-N 370.497 1.765 0 40 FDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnc2ccccn12 535736321 WIKNYIQVSATYBE-INIZCTEOSA-N 364.453 1.670 0 40 FDAB 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CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@]12CCCO2 257306341 STWYPJNWQHWYFY-IEBWSBKVSA-N 362.426 1.666 0 40 FDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCc2cnn(C)c2C)C1 257284544 PDCAHBQQNPICJJ-HNNXBMFYSA-N 356.474 1.974 0 40 FDAB CC[C@H]1CN(S(=O)(=O)c2csc(C(=O)O)c2)C[C@@]2(CCOC2)O1 368445097 FQDWIZMDSQDYHY-IINYFYTJSA-N 361.441 1.405 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)cc1 659129244 JHWNKCUHCYJXQP-DLBZAZTESA-N 368.389 1.870 0 40 FDAB CC[C@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N(C)CC)CCO1 1694949752 NYFLJOAMWJPVNF-HNNXBMFYSA-N 358.446 1.434 0 40 FDAB CC(=O)N1CCC[C@](O)(C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 671595335 JMJIRJFGHIHGFZ-GOSISDBHSA-N 352.381 1.486 0 40 FDAB Cc1ccnc(N2CCN(C(=O)c3cnc4sc(C)cn4c3=O)CC2)c1 678481911 TUKMBFSRUSDNND-UHFFFAOYSA-N 369.450 1.730 0 40 FDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)Cc2ccnn21 585112590 RPTSBMFXRDBJHL-CYBMUJFWSA-N 368.846 1.418 0 40 FDAB O=C(/C=C/c1cnc[nH]1)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 585290444 BIFFQMRBDPWMCS-ISZGNANSSA-N 362.397 2.110 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095864 RAVPDLKMARLTPH-AWEZNQCLSA-N 370.400 1.451 0 40 FDAB CN1C[C@H](COCc2ccncc2)CC12CN(C(=O)c1ccncc1)C2 585093785 FYJOKPCQKUQTDG-QGZVFWFLSA-N 352.438 1.840 0 40 FDAB CN(CC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 585275259 BIMZYXGKPQENKX-UXHICEINSA-N 353.466 1.966 0 40 FDAB O=C(CN1CCCCCCC1=O)NCCNC(=O)c1ccc(F)cc1F 84344237 YTLIKZQSYRBPRP-UHFFFAOYSA-N 367.396 1.604 0 40 FDAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ccccc1F 78808926 YIUXPBFJGZSYPC-UHFFFAOYSA-N 366.414 1.369 0 40 FDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CCCC1 11905919 MEWYRJOIOUQRQM-UHFFFAOYSA-N 372.468 1.282 0 40 FDAB Cc1c(C(=O)N2CCC3(CC2)C[C@](O)(c2nccs2)CO3)cnn1C 12119058 IOGDSAMRANUIFC-QGZVFWFLSA-N 362.455 1.468 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 19021441 SXOZYUBTJCXXFD-CYBMUJFWSA-N 358.446 1.324 0 40 FDAB CCn1ncc(CN2CCc3[nH]c(-c4ccncc4)nc(=O)c3CC2)c1C 19523978 ALQMAJUEMBWZFC-UHFFFAOYSA-N 364.453 1.958 0 40 FDAB O=C1CN(C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)N1c1ccccc1 225822370 DNHOKPWRBGELDH-UHFFFAOYSA-N 363.439 1.412 0 40 FDAB CC1(C)C(=O)NCCN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 21009637 YMGWEBFQEYQCCD-UHFFFAOYSA-N 358.847 1.241 0 40 FDAB Cc1nc(N2CCC[C@H](C(=O)N3CCSCC3)C2)c2cnn(C)c2n1 1888856474 AQMXNVRKZXRQFK-ZDUSSCGKSA-N 360.487 1.464 0 40 FDAB Cc1cccc(NC(=O)CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1 1888944459 KMAATFPZBMTDPK-OAHLLOKOSA-N 351.472 1.480 0 40 FDAB CC(C)N1CCCC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1=O 2037985603 PJELASSSBWTVNQ-LJQANCHMSA-N 352.475 1.822 0 40 FDAB CC(=O)N1CCN(C(=O)CN(C)Cc2nccn2Cc2ccccc2)CC1 75915306 FRDKWPJQZUKBMX-UHFFFAOYSA-N 369.469 1.054 0 40 FDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)CCc4cncnc4)C[C@@H]23)n1 1565543257 DFZDHROFCPYTFZ-OAGGEKHMSA-N 357.414 1.064 0 40 FDAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 1565544661 NKHMKGIOISRFCA-VXGBXAGGSA-N 360.414 1.450 0 40 FDAB CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 8724919 RDQMZGLDSKUGGC-UHFFFAOYSA-N 370.388 1.300 0 40 FDAB CCn1nc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1C 13703121 WYGJGRRBRGXOFQ-UHFFFAOYSA-N 365.440 1.721 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 15106328 BHBORVAXPXKDDG-GOSISDBHSA-N 373.453 1.841 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)CC[C@@H]2C1 2055729901 ZZTDIQXZYRAIKI-BCBDKAHJSA-N 370.496 1.270 0 40 FDAB CC1=C(C(=O)OC2CCCCCC2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19461915 ZHCUUKBAHUCMNI-PMACEKPBSA-N 357.406 1.902 0 40 FDAB Cc1ncnc(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)c1F 1775976232 WKTRBVBPGNHFSG-UHFFFAOYSA-N 364.446 1.619 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 40153542 JMEHAEQCHMTFLV-HNNXBMFYSA-N 364.471 1.564 0 40 FDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(c2ncccn2)CC1 40119530 YZLZWJNPWAZMJW-UHFFFAOYSA-N 373.848 1.483 0 40 FDAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1COCCO1 30847019 HVQCCQKGSFZDBL-SNVBAGLBSA-N 353.728 1.697 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 100519543 RIMPTBZGDBXUFE-XRRVDJEJSA-N 361.195 1.901 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 32759526 COJOIHUFJILJHM-JKIFEVAISA-N 365.499 1.382 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@@H](C)c2ccco2)nc(=O)[nH]c1C 32747407 CEDVAQLIBCTTGC-QMMMGPOBSA-N 351.384 1.427 0 40 FDAB Cc1ccc(Cn2ncc3c(C(=O)N4CCNC(=O)C4)cc(C)nc32)cc1 32820560 WZCNVKIUOOTMRK-UHFFFAOYSA-N 363.421 1.668 0 40 FDAB C[C@@H](c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C 625743 XYZANEIHMIWFLG-VIFPVBQESA-N 363.215 1.806 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3CCNC3=O)CC2=O)cc1 24077533 QOQTVJOHYDCGOQ-TZMCWYRMSA-N 373.409 1.085 0 40 FDAB COc1cc(C(=O)Nn2cnnc2S)ccc1OCc1cscn1 30564151 JGFDGYOGDIFVPD-UHFFFAOYSA-N 363.424 1.995 0 40 FDAB C[C@@H](C(=O)N1CCCC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 7244176 IFNJVWLASXNRCI-INIZCTEOSA-N 374.485 1.404 0 40 FDAB COc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 28199760 YNHAPJOWSIKUNQ-STQMWFEESA-N 364.442 1.947 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccncc3)n2)cc1 932036 NNMXHEGYTHMSHC-UHFFFAOYSA-N 352.354 1.551 0 40 FDAB COc1ccc([C@H](Cc2ccccc2)C2(O)C(=O)NC(=O)NC2=O)cc1 1613378 UUMIUSRDNTYCEK-HNNXBMFYSA-N 354.362 1.119 0 40 FDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)n2ccccc2n1 10956167 IHMMTUXPEDIQLV-XIKOKIGWSA-N 352.346 1.966 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1 7322779 DKVSMNBRKQGOMY-UHFFFAOYSA-N 359.407 1.838 0 40 FDAB Cc1cccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3C)c1 20560413 XNZQAHKYMOFSCO-UHFFFAOYSA-N 367.457 1.530 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@H]1CC(S(=O)(=O)c2ccccc2)=NO1 6575488 CKZRGSCIVPUYRY-GFCCVEGCSA-N 370.386 1.859 0 40 FDAB NS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1 31969757 XMNAYAAZHSEHKG-UHFFFAOYSA-N 365.480 1.354 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCCn1nnc2ccccc2c1=O 32070890 ZKEJMKASHLBGSY-HNNXBMFYSA-N 360.414 1.276 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)N[C@@H]1CCS(=O)(=O)C1 32095443 MOIFKCQYQXIMDP-OAHLLOKOSA-N 374.422 1.643 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(Cn2nc3ccccn3c2=O)CC1 54497422 QRSRFGOGCBLOTM-UHFFFAOYSA-N 373.363 1.190 0 40 FDAB Cc1ccc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)cc1Cl 20662138 RBUJIJSECGXUHW-UHFFFAOYSA-N 372.860 1.892 0 40 FDAB Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccco1 7495373 VRYLVYSHDIWODR-UHFFFAOYSA-N 372.410 1.464 0 40 FDAB COc1cc(OC)c([C@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc1OC 101414243 ILJAESZZSIXHAH-GFCCVEGCSA-N 357.362 1.872 0 40 FDAB O=c1c(NCc2cccnc2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101694876 GJVOLOFUTAWIGB-UHFFFAOYSA-N 362.433 1.612 0 40 FDAB O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ncccn2)C1 32425252 NWHIUYRTECVJAW-CQSZACIVSA-N 350.426 1.928 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccccc2c1=O 8429748 QLEJLBFPDRVEJV-CQSZACIVSA-N 365.389 1.695 0 40 FDAB CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1 658360 DKKQRNIDGQFQAG-UHFFFAOYSA-N 359.386 1.719 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1 37187812 SSWJAILOKXVKSB-MRXNPFEDSA-N 352.456 1.432 0 40 FDAB COC(=O)CCCNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 22750851 OAMKZJRSNNRFHD-UHFFFAOYSA-N 368.846 1.957 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)ccc21 23098586 PDVBQRGRLOGDGP-ZIAGYGMSSA-N 372.469 1.564 0 40 FDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(C(N)=O)cc2)cc1 23046059 XKAQRRJORDZURL-UHFFFAOYSA-N 371.349 1.299 0 40 FDAB COc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1CO 100763453 DESFQEVSXUSWPJ-IRXDYDNUSA-N 357.454 1.936 0 40 FDAB Cc1nn(Cc2cc(F)ccc2F)c(C)c1S(=O)(=O)N1CCOCC1 54177449 MQSGVFUIDBDZNB-UHFFFAOYSA-N 371.409 1.847 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 105924478 DDJUXVJSXKWFLT-IAGOWNOFSA-N 357.454 1.804 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 58019633 QUUMXIFIJILUCT-OAHLLOKOSA-N 367.515 1.595 0 40 FDAB NC(=O)c1ccc(NC(=O)Cn2c(CCCO)nc3ccccc32)cc1 12531882 BFCIADOTOMJKBN-UHFFFAOYSA-N 352.394 1.699 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)n(C)c1 27137429 UXCNXLOLDRALJB-SNVBAGLBSA-N 369.418 1.572 0 40 FDAB CCOC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 58306106 FAUHZOBGUSDICK-SNVBAGLBSA-N 352.416 1.381 0 40 FDAB COc1ccc(CCN(C)C(=O)COc2ccc(C(N)=O)cc2)cc1OC 12758302 FDNMXLFLWGNKDC-UHFFFAOYSA-N 372.421 1.883 0 40 FDAB Cc1nc(CSc2ccc(C(=O)NN3CC(=O)NC3=O)cc2)cs1 12935981 ALTMQXASLQTBCU-UHFFFAOYSA-N 362.436 1.940 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3549102 QAQDEGQMVOZUJV-IBGZPJMESA-N 372.425 1.394 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 3551948 ANLRKHSBYPAQGT-UHFFFAOYSA-N 364.404 1.517 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1N1CCOCC1 3560316 LQLIYIFERATILP-UHFFFAOYSA-N 364.405 1.872 0 40 FDAB NC(=O)[C@@H](OC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCOCC1 75094088 HOGZZRMFIGVXMK-HNNXBMFYSA-N 361.398 1.408 0 40 FDAB COc1ccc(NC(=O)C[C@@H]2N=C(N3CCOCC3)N=C2O)c(OC)c1 13690807 OXUKTHNUBRTNLP-ZDUSSCGKSA-N 362.386 1.059 0 40 FDAB CNC(=O)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8184612 ZTRJTUHDDHVVPH-UHFFFAOYSA-N 357.366 1.782 0 40 FDAB CN(C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1ccccc1 14181269 GPCMHMDXGXGZAI-UHFFFAOYSA-N 371.418 1.744 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CSc1nc(N)nc(-c2ccccc2)n1 6604050 MNSIEBDPQSJYQJ-UHFFFAOYSA-N 360.443 1.837 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 4995877 BCZLJTDOWBKMLS-SFHVURJKSA-N 357.366 1.087 0 40 FDAB COc1ccccc1CNC1CCN(c2nccn3c(=O)[nH]nc23)CC1 67350109 HRIMAOCIEUEAFR-UHFFFAOYSA-N 354.414 1.185 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)OC)cc1 8777959 GXPVXCDRCMJQDX-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 8923671 VOICICMXJZNIQE-LLVKDONJSA-N 358.350 1.540 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(O)c(OC)c2)o1 96113777 IAXVNJHBOCBDBL-LBPRGKRZSA-N 364.350 1.901 0 40 FDAB biogenic O=C(c1ccccc1OCc1ccc(F)cc1)N1CCn2c(n[nH]c2=O)C1 95942061 RPKZORWHFCPURE-UHFFFAOYSA-N 368.368 1.946 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C 23445698 UQKAQPGUCPRYHG-SNVBAGLBSA-N 363.439 1.973 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NC3(C(F)(F)F)CCC3)ccc21 544836274 ZHCOMQOSVSMOQI-UHFFFAOYSA-N 350.318 1.895 0 40 FDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(F)ccc1Cl 548202617 KEJQZPQNKQGRHY-KCJUWKMLSA-N 351.783 1.637 0 40 FDAB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 32755145 XXDCCOFXIPSHEW-UHFFFAOYSA-N 373.434 1.368 0 40 FDAB CC(C)N(C)c1cccc(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1 517950874 ZUPWIDYENJRVTJ-GOSISDBHSA-N 359.430 1.689 0 40 FDAB COC(=O)c1cn([C@H](CC(=O)O)c2cccc(O)c2)cc2c(O)nnc1-2 524733771 OAOCIHDXDGXWJY-CYBMUJFWSA-N 357.322 1.645 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354755 OXOPQILRECRSEI-AWEZNQCLSA-N 365.434 1.808 0 40 FDAB O=C1N[C@@H]2CS(=O)(=O)[C@H](CCCCC(=O)OCc3ccccc3)[C@@H]2N1 32854410 GOBJAJZVGPZALB-IIAWOOMASA-N 366.439 1.137 0 40 FDAB C[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1cccn1 36614586 QIBNFFIZDQFAGI-AWEZNQCLSA-N 362.455 1.625 0 40 FDAB COc1cnc(C2(O)CCN(C(=O)c3scnc3C)CC2)c(OC)n1 72342909 WNRKWZWNXWWBAA-UHFFFAOYSA-N 364.427 1.383 0 40 FDAB Cc1cc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c2c(C)nn(C)c2n1 223204695 SMXYKKSCJMBFIJ-UHFFFAOYSA-N 357.458 1.962 0 40 FDAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 223319812 NPXOGMXQTPWTEC-RHSMWYFYSA-N 367.515 1.945 0 40 FDAB Cc1ncc(S(=O)(=O)N2CCc3sccc3[C@@H]2C(=O)O)cc1C#N 326646546 YYMHINBCBFGMBI-CQSZACIVSA-N 363.420 1.696 0 40 FDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1 96296114 NVHGPTTWJIQGKK-QRVBRYPASA-N 358.413 1.782 0 40 FDAB biogenic,in-vitro COc1cn(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)c(C)cc1=O 95478326 RHFWQIWGSHIJOA-NSHDSACASA-N 350.400 1.507 0 40 FDAB Cc1nc(-c2noc3ccc(C(=O)NCCN4CCOCC4)cc23)co1 96266504 CLUPSHNKCRUEIR-UHFFFAOYSA-N 356.382 1.853 0 40 FDAB O=C(NC1CCCC1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96068115 GRDDDUOJHZTAPY-UHFFFAOYSA-N 356.430 1.346 0 40 FDAB CCS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)OC[C@@H](CO)O1 96531781 ZXNQLFJLXXQDJT-CHWSQXEVSA-N 365.245 1.444 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96240014 ZUQKFSBBWUZEGO-UHFFFAOYSA-N 354.414 1.026 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(c4cnccn4)C3)C2)nn1 96078498 QYDVIHZDOVWOEI-YJBOKZPZSA-N 356.430 1.299 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)C2CCOCC2)CC3)c1 96051743 YINLQFUIVHQGET-KRWDZBQOSA-N 359.470 1.953 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)n1 96083196 ATPGQVXBUMCVRI-USXIJHARSA-N 359.426 1.564 0 40 FDAB COCCN1[C@@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O 96143054 XYJOPPBZAFGVCM-LJQANCHMSA-N 373.478 1.834 0 40 FDAB CCN(C(=O)CN1CCO[C@@H](c2ccsc2)C1)[C@H]1CCS(=O)(=O)C1 246823197 ZBZFJXRDGNDUMQ-LSDHHAIUSA-N 372.512 1.157 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 250337264 AKXSSJKDVXOYII-NOLJZWGESA-N 351.472 1.848 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCN(Cc4cncs4)C3)ccnc12 257255734 KIQYPUGEUAOLHM-LBPRGKRZSA-N 356.455 1.877 0 40 FDAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3COC3)CCN21 253398246 GTIBJTLGRCXZRH-INIZCTEOSA-N 363.889 1.959 0 40 FDAB biogenic,in-vitro CCC[C@@]1(CO)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1 278117984 LKGQPCZXJUNAIN-WFASDCNBSA-N 360.501 1.569 0 40 FDAB COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1 278900847 QZHAZOKWZGQBMB-DZGCQCFKSA-N 361.435 1.169 0 40 FDAB COc1cccc([C@H](C(=O)O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 634692487 BRGANSKPJYNUTG-XJKSGUPXSA-N 370.471 1.424 0 40 FDAB COCc1ccc(CNC(=O)CN2CCC[C@@]2(COC)C(=O)O)cc1 643879741 ZENGUJTVILIIBE-GOSISDBHSA-N 350.415 1.015 0 40 FDAB CCOc1ccccc1OCCN1CCC[C@@](O)(CC(=O)N(C)C)C1 643810439 CEHSRFDWQIBEML-LJQANCHMSA-N 350.459 1.769 0 40 FDAB CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)c2cc(C)cc(C)c2)CC1 1775991332 KXFNUHJCMGLWCB-INIZCTEOSA-N 362.470 1.812 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390826237 GAJFMRLYSNTVDQ-IBGZPJMESA-N 372.352 1.680 0 40 FDAB CCCOc1cccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685943426 WJDLOODOYRZDCD-ZMSDIMECSA-N 358.442 1.888 0 40 FDAB O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)N1CCOCC1 49377764 YIRPELZVLQASNK-UHFFFAOYSA-N 374.416 1.914 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1nccn1Cc1ccccc1)N(C)C2 644311954 XZNGZWIAPXYWEP-OAHLLOKOSA-N 351.414 1.284 0 40 FDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccnc(N2CCCC2)c1 1615083691 DUWWNXOYRHTSNA-IBGZPJMESA-N 360.458 1.439 0 40 FDAB Cc1cncc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)c1 1615162001 RPOSDYWUCHOJQO-ZWKOTPCHSA-N 350.459 1.925 0 40 FDAB C[C@H]1OC2(CCN(C(=O)Cc3cc(Cl)cc4c3OCC4)CC2)NC1=O 1615591673 OQXHBOYNSOXIEO-LLVKDONJSA-N 364.829 1.671 0 40 FDAB O[C@H]1COC[C@]2(CCC[C@H](n3cc(-c4ccccc4)nn3)[C@H]2O)C[C@H]1O 1547139891 QRYIRNODMXUFBU-APAFKAMOSA-N 359.426 1.160 0 40 FDAB CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594899 FDYJPPCCBSZPJO-DJIMGWMZSA-N 374.472 1.990 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2sccc2C1 12216502 RZUWBDJTYCVJOB-UHFFFAOYSA-N 352.437 1.603 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](c3cnccn3)C2)cnn1C(F)F 12252720 YALYGLPNDGJEBO-NSHDSACASA-N 357.386 1.945 0 40 FDAB COc1ccc(S(=O)(=O)n2nc(NC(C)=O)sc2=S)cc1N 16321589 SXKDZBDVTGSXQK-UHFFFAOYSA-N 360.442 1.460 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 17075863 BRHKBAWPRUMKJO-AWEZNQCLSA-N 370.413 1.957 0 40 FDAB Cc1nc(C[C@@H](NC(=O)c2ccnn2C)c2ccc(F)cc2)cc(=O)[nH]1 19285391 HCDGIFVCHCDVDB-OAHLLOKOSA-N 355.373 1.665 0 40 FDAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)NCC1CC1 19374501 UVHSIKSOMOKKAP-UHFFFAOYSA-N 364.409 1.401 0 40 FDAB CCN1C[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CC1=O 19526989 COVDOLVDIVTIRC-HNNXBMFYSA-N 373.453 1.885 0 40 FDAB CC(=O)N[C@H]1CN(Cc2cnc(C)s2)C2(CCN(C(C)=O)CC2)C1 19704140 PNNGDBVIDQVQRS-OAHLLOKOSA-N 350.488 1.543 0 40 FDAB CN1CCC(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19748126 IAJXSOWJSKLDRJ-ZDUSSCGKSA-N 369.462 1.047 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(F)cc1 207515584 FDYXMZDLPHICEW-BHWMQLMCSA-N 374.368 1.339 0 40 FDAB O=C1[C@@H](O)CCCCN1CC(=O)N(Cc1c(F)cccc1F)C1CC1 644449850 RARPHLSARVJWOQ-INIZCTEOSA-N 352.381 1.829 0 40 FDAB CCCN(C(=O)[C@H](NC(=O)c1ccco1)C(C)C)[C@@H]1CCS(=O)(=O)C1 10025101 VLGYSMXWVDRWKU-UKRRQHHQSA-N 370.471 1.460 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NC3CN(c4cnccn4)C3)CC2=O)cc1C 1888863642 HSJWDGYRVNHSLH-HNNXBMFYSA-N 365.437 1.451 0 40 FDAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1 1888866680 IBODKMNJDVVACO-CYBMUJFWSA-N 351.432 1.215 0 40 FDAB CCc1cnc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)nc1 1888890726 QMOJBNANZLDTJJ-UHFFFAOYSA-N 364.457 1.958 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)cs1 1888900823 KVLNAXBWQJCNBX-RYUDHWBXSA-N 355.427 1.098 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1ccccn1 31206138 SXBREWVWBDHPPM-QGZVFWFLSA-N 364.449 1.779 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1 1614927938 GUNMUBNAKIKZCB-NSHDSACASA-N 369.410 1.041 0 40 FDAB CCn1nnc2c1CCN(C(=O)CCc1cncnc1)[C@H]2COCC1CC1 1565547185 LVAPJCQKWYHMCG-KRWDZBQOSA-N 370.457 1.573 0 40 FDAB O=C(CCc1cncnc1)N1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 1565549129 QJKIVZYSINJKJL-ZIAGYGMSSA-N 357.439 1.096 0 40 FDAB O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107395 YJRCTZXMPJHZER-UHFFFAOYSA-N 354.366 1.703 0 40 FDAB CCC(=O)Nc1ccc(SCC(=O)Nc2nnc(CC)s2)nn1 11739036 LAFGOOJHWJAKQR-UHFFFAOYSA-N 352.445 1.970 0 40 FDAB CCn1c(SCC(=O)c2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 16839494 GXZOMXBTWZGNAK-UHFFFAOYSA-N 358.423 1.727 0 40 FDAB O=C(Cc1ccccn1)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055739255 OXXAYDUONPMREP-AWEZNQCLSA-N 354.410 1.522 0 40 FDAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCC1 23127873 XEAWZFSQDMAZBF-QGZVFWFLSA-N 373.453 1.152 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc21 814665 DWUQABVMCPTQGX-UHFFFAOYSA-N 361.379 1.376 0 40 FDAB CCOC(=O)c1c(SCC(=O)NCc2ccccc2)nc(=O)[nH]c1C 4317601 DGKXTFHIIZGBBH-UHFFFAOYSA-N 361.423 1.664 0 40 FDAB COC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 40087903 QYYGVWVRGXZCQR-CQSZACIVSA-N 353.378 1.855 0 40 FDAB O=C(O)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCOCC1 785060 GAFLASPBSWJQRD-KBPBESRZSA-N 374.393 1.827 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 62001866 YSUUAOXSJOYRRK-CHWSQXEVSA-N 351.355 1.786 0 40 FDAB biogenic Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccccc1F 4984473 ALOKSEGCVWTOLH-UHFFFAOYSA-N 355.329 1.647 0 40 FDAB COCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 8560489 SEABKXHWSIFQRY-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB COc1ccc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N(C)OC 12615339 AAASOJOSTBYAKG-UHFFFAOYSA-N 366.395 1.835 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 10213136 PABUCTABIJXNQM-UHFFFAOYSA-N 356.334 1.555 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119299 YSPIXHLEWXPJHW-GJZGRUSLSA-N 363.421 1.599 0 40 FDAB Cc1oc(C(=O)NCC[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 58217208 BOFQQFITCDPTHP-CYBMUJFWSA-N 356.444 1.671 0 40 FDAB Cc1ccc(NC(=O)CCNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)nc1 58218730 GFWGJUWGFMWPAY-ZIAGYGMSSA-N 354.476 1.531 0 40 FDAB FC(F)(F)C1(C(F)(F)F)N=C(N2CCOCC2)N=C2N=C[CH-]C=[N+]21 53669376 SMVJIAQDFOBPMA-UHFFFAOYSA-N 355.242 1.237 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)NC[C@@H](C)NC(=O)c1c(C)cc(=O)oc1C 2294218 JJOOXTMQHFCUOZ-LLVKDONJSA-N 374.393 1.375 0 40 FDAB O=C(NCc1cccc(-n2cncn2)c1)N1CCC[C@@H]1CN1CCOCC1 74314436 OUXXRLWLOJLTFS-GOSISDBHSA-N 370.457 1.274 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 2389318 HDJWJEZNTNJMJE-UHFFFAOYSA-N 374.470 1.869 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 102334688 VDHKLNURAYLARL-XPXLGCRWSA-N 352.412 1.787 0 40 FDAB CCc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11559944 ZFYZTBAGRKKNGZ-LBPRGKRZSA-N 368.393 1.507 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@H]2c1cccc(Cl)c1 104280024 XDFXMNGEVIQLTH-MRXNPFEDSA-N 372.860 1.781 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)s1 12521721 XHTAWUFYLNVCRX-UHFFFAOYSA-N 359.451 1.841 0 40 FDAB Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)N1CCCCCC1 95458982 FVONPJJUBJKWRK-HNNXBMFYSA-N 356.492 1.531 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cn(Cc2ccccc2)nn1 48278667 YVHCUYNEDDSWHR-UHFFFAOYSA-N 360.381 1.232 0 40 FDAB O=C(Nc1cnccn1)C1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1 48299988 ILRVBPKTWZXRER-HNNXBMFYSA-N 370.409 1.589 0 40 FDAB Cc1c(NC(=O)[C@@H](C)NC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3414667 HUCRMEGWVILSTP-CZUORRHYSA-N 358.442 1.580 0 40 FDAB CN(C)C[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccccc1 12949763 OPWWGRPEUGCYEW-SFHVURJKSA-N 354.454 1.905 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 13254832 KYJGWJJBPQMDCH-ZIAGYGMSSA-N 366.439 1.851 0 40 FDAB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1C 4278150 HMOBFAPPLSCVBW-UHFFFAOYSA-N 369.377 1.071 0 40 FDAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 14198446 JRJKFNDIPRHOAM-KRWDZBQOSA-N 355.417 1.758 0 40 FDAB C[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C[C@@H](C)O1 14137902 VFKFRLMLGBMSKY-VGTOOOLASA-N 353.369 1.799 0 40 FDAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829845 LLPFDUGAXGOTMH-VIFPVBQESA-N 361.789 1.287 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCCC2)n1 67256986 LQNGDMKVLHOLJF-UHFFFAOYSA-N 360.389 1.768 0 40 FDAB O=C(c1cccs1)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 7987198 LJWDKRDIWBUIQI-UHFFFAOYSA-N 368.418 1.583 0 40 FDAB COc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc2c1OCCO2 16638515 DPJHJGQMXOYHFY-UHFFFAOYSA-N 355.394 1.824 0 40 FDAB CN1CCN(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)CC1 8209314 RGJUUUNKHWVGEE-UHFFFAOYSA-N 366.512 1.958 0 40 FDAB Cc1cc(NNS(=O)(=O)c2ccc(F)c(F)c2F)n2ncnc2n1 8746142 SZQLKVQHWGJONT-UHFFFAOYSA-N 358.305 1.155 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1O 72325450 QZYXSFKPMBGYIN-INIZCTEOSA-N 365.389 1.982 0 40 FDAB biogenic CNS(=O)(=O)c1ccc([C@@H](C)NCCc2nc(C(C)C)no2)cc1 89577932 GETCEQUYBQHOOV-GFCCVEGCSA-N 352.460 1.994 0 40 FDAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(-n2ccnn2)c1 89780897 UCQFMSPVXGOLHD-CQSZACIVSA-N 352.373 1.810 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)c1 547554649 VUZHXXISFBBFNM-LBPRGKRZSA-N 352.387 1.751 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408600829 CQFLMXPOVBHWTG-STQMWFEESA-N 358.460 1.292 0 40 FDAB C[C@@H](Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N1CCOCC1 408591533 IQPPMXUSQOBHAA-CYBMUJFWSA-N 370.471 1.390 0 40 FDAB COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OCC(N)=O 524729369 QIHCLAIQSMKDGB-GFCCVEGCSA-N 372.377 1.007 0 40 FDAB biogenic C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCNc1ncccn1 524730948 DDVKQZAROQGSDU-RFUYNDQBSA-N 367.409 1.115 0 40 FDAB biogenic CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 38754987 WHBWVTMGLDFLNE-AWEZNQCLSA-N 369.487 1.931 0 40 FDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CN1CCCCC1)CC2 72347089 PCGRPACPXIFYCM-UHFFFAOYSA-N 357.458 1.066 0 40 FDAB CN1CC[C@H](CNC(=O)N2Cc3cnn(-c4ccccc4)c3C2)CC1=O 564885021 NSJXDCQKRBUMMI-AWEZNQCLSA-N 353.426 1.766 0 40 FDAB Cc1cc(CNC(=O)Cn2cnc3ccccc32)nc(N2CCOCC2)n1 224227560 ZQNPMHIDHGSLQE-UHFFFAOYSA-N 366.425 1.288 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(OC(C)C)c2)s1 223510491 UZMSRTNOZKZPBD-UHFFFAOYSA-N 370.456 1.762 0 40 FDAB CCOc1ccccc1/C=C/C(=O)NCCCN1CCC(C(N)=O)CC1 40114596 FWOJWTFFFXHVOK-CMDGGOBGSA-N 359.470 1.802 0 40 FDAB Cc1cc(=O)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c[nH]1 95475639 QAZDWJWUTLGDIU-UHFFFAOYSA-N 355.438 1.843 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221063 WWKHFOBTMUZHCV-OAHLLOKOSA-N 355.442 1.369 0 40 FDAB CCN1C[C@@]23CN(C(=O)Nc4ccccc4C)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146043 HEBHBMQXYZRKQJ-KMFMINBZSA-N 365.455 1.404 0 40 FDAB CN(C)C(=O)N[C@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 583244788 RXDHCNNUXULQOT-MGMWPHTOSA-N 362.518 1.663 0 40 FDAB COc1ccc(CN2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)cc1 96056352 MNXYRVQWBRVZQH-KZNAEPCWSA-N 370.453 1.591 0 40 FDAB CCN1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@@H](C)C1 585082383 LIELPMKZAHPVTB-AWEZNQCLSA-N 365.499 1.541 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCN(C)C2)c1 257270136 MSXTXVKGDZPKTQ-INIZCTEOSA-N 369.469 1.580 0 40 FDAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)on1 257235662 GYUUKVYJICMBHR-SFHVURJKSA-N 359.430 1.424 0 40 FDAB CCOc1ncccc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257259488 KYQCFLYZBFEOME-IBGZPJMESA-N 356.426 1.589 0 40 FDAB CCN(Cc1ccc(C(=O)O)cc1)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257276311 NTDUQWOWEDUOHQ-SFHVURJKSA-N 357.414 1.555 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(c2nccn3nc(C4CCC4)cc23)CC1 631036562 RMRRQIBHNXHHGD-KRWDZBQOSA-N 355.442 1.824 0 40 FDAB COc1nscc1S(=O)(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1662231349 KKZBSEWCLNGGPS-DOMZBBRYSA-N 372.443 1.640 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644306571 RFSPCQSXIUTQFE-FQEVSTJZSA-N 356.470 1.796 0 40 FDAB N[C@@H]1CCCCN(Cc2nc(-c3ccc(Br)o3)no2)C1=O 644512931 MQPNHUVNUQNXJR-MRVPVSSYSA-N 355.192 1.932 0 40 FDAB Cc1cc(C(=O)N2NC(=O)C[C@@]23CCCC[C@@H]3C)nc2nc(O)nc(O)c12 1300778825 AYPUBENBRONHRJ-XTZNXHDOSA-N 371.397 1.570 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2ccc(F)cc2)[C@@H](O)C1 585284961 MINLDAGHVWTVKA-FPOVZHCZSA-N 372.440 1.482 0 40 FDAB CO[C@H]1CN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1Cc1ccccc1 585291332 PCBXYJDQUONBAT-ZLNADXECSA-N 358.482 1.981 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585278512 UDVJXHIRQXUEBR-INIZCTEOSA-N 353.781 1.648 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ncccc2Cl)CC1 96096882 UKUJVQXIKKORJV-UHFFFAOYSA-N 351.790 1.254 0 40 FDAB CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCOC1 109135306 UFWKFTAKWLGWJU-AWEZNQCLSA-N 354.472 1.874 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160367 ZQOSOKREHPHWAE-IBGZPJMESA-N 370.384 1.654 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 5059506 MWQPAWIKLMDYGG-LBPRGKRZSA-N 352.412 1.580 0 40 FDAB Cc1cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)nc(N)n1 12337509 HSVSDOHPDWIEQL-UHFFFAOYSA-N 354.410 1.951 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NCc1ccc(C(=O)O)cc1 16189898 DHGHDBXXJPBAGS-UHFFFAOYSA-N 355.393 1.711 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccnc2)c2cnccc2n1 19340376 RHVVCANPUQSMQB-CYBMUJFWSA-N 368.418 1.609 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccnc3)o2)cnn1C 19553915 GOQQDOBHTKEUJY-CYBMUJFWSA-N 374.426 1.699 0 40 FDAB COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(C)c(F)c(=O)[nH]1 19579271 UQBIMRPEIDSHHZ-GFCCVEGCSA-N 361.373 1.969 0 40 FDAB COc1ncc([C@@]2(O)CC[C@@H]3CN(CC4=CCCOC4)C[C@@H]32)c(OC)n1 19594867 ASHXHUCUYUWTCA-ALKREAHSSA-N 361.442 1.370 0 40 FDAB Cn1ccnc1[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1 19748784 FWLJLGXHUAJERX-OAHLLOKOSA-N 354.476 1.049 0 40 FDAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)O 16899614 CSFKFVCTXAETKD-KBPBESRZSA-N 364.423 1.258 0 40 FDAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 4902506 OFOXQAJXSPCQSP-UHFFFAOYSA-N 373.478 1.841 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(Cl)cn2)C1 1848737548 TZHWRVBZHYNNSQ-UHFFFAOYSA-N 358.785 1.291 0 40 FDAB COC(=O)C1(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)CCCCC1 25176124 QKXITFDYDOINTB-CYBMUJFWSA-N 360.410 1.793 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)N2CCc3ccccc3C2)CC1 26311342 SZFGENYRQYMOHH-UHFFFAOYSA-N 351.472 1.568 0 40 FDAB O=C(CCC(=O)c1ccccc1)NCCn1nnc2ccccc2c1=O 238923633 UKEGHTPNXWPKPL-UHFFFAOYSA-N 350.378 1.571 0 40 FDAB C[C@@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1ccc(Br)cc1 96319394 DSMZGRNKKDUQGV-NXEZZACHSA-N 352.250 1.201 0 40 FDAB O=C(CC1(O)CCC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 2056214964 RXLQVKOHQNTKDY-UHFFFAOYSA-N 357.454 1.870 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CO2 1614936716 MRSFNSZUFQJMJO-CYBMUJFWSA-N 362.430 1.125 0 40 FDAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542641 SKQGNPPYLLJEMG-RXVVDRJESA-N 350.418 1.740 0 40 FDAB Cn1cc(-c2cnc(N3CCN(C(=O)CCF)CC3)c3nccn23)cn1 1565555941 JXAQXHBGEWGXRZ-UHFFFAOYSA-N 357.393 1.138 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545426 IBLRRSSPDFNWTB-UHFFFAOYSA-N 355.442 1.812 0 40 FDAB Cc1ccccc1NC(=O)C1(NC(=O)Cn2nnnc2N)CCCCC1 974347 VRLMGXDIUWZBKK-UHFFFAOYSA-N 357.418 1.022 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055751175 PBWLARTYMLGXTR-UHFFFAOYSA-N 353.488 1.761 0 40 FDAB Cc1ncnc(C(=O)N2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)c1C 2055751069 DEPURBSZLCGVPP-MRXNPFEDSA-N 355.442 1.993 0 40 FDAB CN1CCN([C@H](CNC(=O)c2ccc3c(c2)OCO3)c2cccn2C)CC1 21153142 ITIPRRZVBWQHCJ-QGZVFWFLSA-N 370.453 1.472 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2cncc(N3CCCC3=O)c2)cc1 575620525 UPBMTSKIABMIHK-UHFFFAOYSA-N 353.378 1.925 0 40 FDAB CN(C)C(=O)c1cccc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 74568760 KLQIBTHWZSMYST-MOPGFXCFSA-N 367.449 1.888 0 40 FDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1-n1cncn1 40050189 ILLPMMYCRPJYOM-UHFFFAOYSA-N 362.393 1.719 0 40 FDAB Nc1[nH]nc2nc(NCCOCCO)c3c(c12)CCN(C1CCCCC1)C3 20546657 QCCVIADVDZCTOS-UHFFFAOYSA-N 374.489 1.652 0 40 FDAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1nnc2n1CCC2 32873623 CARVQCDDYGDTHL-UHFFFAOYSA-N 356.361 1.662 0 40 FDAB COCCn1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1=O 22463737 AANAMECEISGBQS-GOSISDBHSA-N 370.453 1.457 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2F)CC1 917518 CGTUDPVXTQBGEZ-UHFFFAOYSA-N 367.380 1.771 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1F 23303132 XNADGBHBTYKILP-AWEZNQCLSA-N 362.449 1.357 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@H](c2ccccc2)C1 23896053 KIODVGYREYEBOJ-SFHVURJKSA-N 374.462 1.955 0 40 FDAB O=C(NCCc1cn2ccccc2n1)c1ccc(S(=O)(=O)NC2CC2)o1 30558646 QXXZWAAGBOXEMS-UHFFFAOYSA-N 374.422 1.341 0 40 FDAB NC(=O)[C@@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1 58414809 PGYCDHZDSQBCGC-SFHVURJKSA-N 361.401 1.853 0 40 FDAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccnc3)n2)c1 891538 XLCJZMKPJWLDQI-UHFFFAOYSA-N 352.354 1.551 0 40 FDAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)cc(C(=O)OC)c1 1703112 XPYNYFCHWUVCLV-UHFFFAOYSA-N 364.379 1.643 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1 3518302 KZYVIHZSFMZIHV-UHFFFAOYSA-N 361.354 1.483 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 4948883 SVMCIXZBLPRYAM-UHFFFAOYSA-N 367.471 1.055 0 40 FDAB COCCNC(=O)c1ccc2c(=O)n(-c3cccc(OC)c3)cnc2c1 32103859 PTOODRUSMSACCF-UHFFFAOYSA-N 353.378 1.771 0 40 FDAB CC(C)[C@@H](CO)NC(=O)c1cc(Br)ccc1-n1cnnn1 20721276 KSCDMDPYKXFZNQ-LLVKDONJSA-N 354.208 1.172 0 40 FDAB COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)nc2CO)cc1 21172880 DNIAXPNBNAEMHS-UHFFFAOYSA-N 356.357 1.837 0 40 FDAB CC(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)CC1 32740467 SAQRUCSEPOMIPT-HNNXBMFYSA-N 351.472 1.630 0 40 FDAB COC(=O)[C@@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 32842919 FRBRCRJBVZWEFY-SNVBAGLBSA-N 363.439 1.405 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1 21669083 HJEKRHMTMFYJKI-CQSZACIVSA-N 351.428 1.176 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CNc2cccc3c2OCCO3)cc1 55893877 HUVMCCTVPOAGRM-UHFFFAOYSA-N 362.407 1.912 0 40 FDAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)nn12 41815155 RRBMCEGXOLMLGS-JTQLQIEISA-N 357.399 1.133 0 40 FDAB CC(C)CCNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029635 RRJCCYNDORMCBX-HNNXBMFYSA-N 373.496 1.423 0 40 FDAB CNC(=O)Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 75093261 XORRIOHWPQEWEF-UHFFFAOYSA-N 365.480 1.883 0 40 FDAB CN(C)[C@@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccsc1 25330682 HMPADPVPZRSEDY-KRWDZBQOSA-N 370.478 1.957 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CCc2cc(F)ccc21 56315066 LDROCWXXTGFSNL-ZDUSSCGKSA-N 354.428 1.969 0 40 FDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCC(NC(=O)c2ccccc2)CC1 25826462 NJDBLHUUNOIDFY-ZACQAIPSSA-N 373.497 1.905 0 40 FDAB O=C(CCOCc1ccccc1)NC[C@@]1(N2CCOCC2)CCSC1 57210855 AOYAVKYPNXULQQ-IBGZPJMESA-N 364.511 1.917 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(c2cccc(Cl)c2)CC1 12542863 NXXQZKBCLCHQNQ-LBPRGKRZSA-N 350.850 1.839 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 44599195 LXGCDFBVLQALKA-UHFFFAOYSA-N 357.395 1.627 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 12544851 JUPPCNLPXCETRM-UHFFFAOYSA-N 351.336 1.892 0 40 FDAB CC(C)c1nnc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 58166991 LUSGECWVSLGJMU-UHFFFAOYSA-N 355.445 1.631 0 40 FDAB NC(=O)c1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12 44891664 ZWXQFZSIXMWVCS-UHFFFAOYSA-N 353.469 1.972 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 58227064 NRRCMNOUCNDKDM-CYBMUJFWSA-N 353.463 1.761 0 40 FDAB Cc1ccccc1C1(CNC(=O)NCCS(C)(=O)=O)CCOCC1 58238430 YDDNBZREFBHVCO-UHFFFAOYSA-N 354.472 1.387 0 40 FDAB Cc1ccc(NC(=O)CN2CCSC2=O)cc1S(=O)(=O)N(C)C 12807298 GZLSCCIQKUOGOP-UHFFFAOYSA-N 357.457 1.353 0 40 FDAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3595613 PGVBPQXOYUHXJQ-KRWDZBQOSA-N 367.352 1.677 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68533533 UBYBDLVNQLMTEX-TZMCWYRMSA-N 357.435 1.788 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 13073598 NFNRVJQKGHGFTQ-UHFFFAOYSA-N 365.363 1.601 0 40 FDAB O=S(=O)(Oc1cc2nnnn2nc1-c1ccccc1)c1ccccc1 3767012 GDDMZFXNZKBZNB-UHFFFAOYSA-N 353.363 1.954 0 40 FDAB CS(=O)(=O)NC1=NC2=N[C@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 13122576 KISCFENOGNFEAC-JKSUJKDBSA-N 369.450 1.954 0 40 FDAB CCCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8032618 IGVHPIMVUKPAID-UHFFFAOYSA-N 373.862 1.037 0 40 FDAB COc1ccc(-c2n[nH]c(=S)n2CCN2CCOCC2)cc1OC 13692263 VOOXOGCGFMZJRM-UHFFFAOYSA-N 350.444 1.957 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 8211923 IUYYBEXBGDBWHU-DIFFPNOSSA-N 374.393 1.389 0 40 FDAB CCc1noc(COC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)n1 70019424 CJUYHGUFYDYREH-UHFFFAOYSA-N 355.354 1.372 0 40 FDAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)cc1 14182672 KDEPRSSKMJUURO-CQSZACIVSA-N 353.426 1.828 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccccc1 14231054 ASQBLJHFKKFFJI-UHFFFAOYSA-N 364.405 1.702 0 40 FDAB COc1cn(-c2ccccc2)nc1C(=O)Nn1cnc2ccccc2c1=O 17848776 WRSIZGDEKXYIFD-UHFFFAOYSA-N 361.361 1.975 0 40 FDAB CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 8779988 AILGCUZEKZUDHT-UHFFFAOYSA-N 361.471 1.641 0 40 FDAB O=C(CNC(=O)NCC(=O)N1CCCc2ccccc21)Nc1ccccc1 71824445 GJFNINRAGXDCOP-UHFFFAOYSA-N 366.421 1.904 0 40 FDAB CCCn1c(SCC(=O)NC(=O)NC)nc2sc(CC)cc2c1=O 9362115 JHQFMVVSTFWMCL-UHFFFAOYSA-N 368.484 1.978 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1c(C)cc(=O)oc1C 72299918 QRQBTGUNQDTBCZ-ZDUSSCGKSA-N 365.382 1.358 0 40 FDAB CC(C)Nc1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1 72311872 PRDJUFKAPOHNFL-UHFFFAOYSA-N 369.473 1.244 0 40 FDAB Cc1cc(=O)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)cn1C 79477285 QZFKVXJTJLNWQZ-UHFFFAOYSA-N 355.438 1.417 0 40 FDAB Cc1nc(C)c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 95998857 JNPUBCGKKHPGEQ-ZDUSSCGKSA-N 373.500 1.027 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 20458532 WQOZZLHDGCYCMA-LBPRGKRZSA-N 371.459 1.161 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCn3ccnc3)CCOCC2)o1 1547138962 XJKFEGDVSOITMZ-UHFFFAOYSA-N 361.398 1.105 0 40 FDAB biogenic COCc1nc2n(n1)C[C@@H](NC(=O)c1coc3ccc(OC)cc13)CC2 507345623 CLUBNHCXQDDXNV-NSHDSACASA-N 356.382 1.924 0 40 FDAB CCOC(=O)[C@H]1Cc2cc3c(cc2NC1=O)NC(=O)[C@@H](C(=O)OCC)C3 3844925 FRYCXCFNPMLCOU-RYUDHWBXSA-N 360.366 1.034 0 40 FDAB biogenic CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 30880912 UQXGCIIPAGKZSL-ULQDDVLXSA-N 372.531 1.639 0 40 FDAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCOC)cc1C 39986230 NITNITLRZHBEGN-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217641597 CVOWAQGHOAFNIU-UHFFFAOYSA-N 374.459 1.538 0 40 FDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCn2nnc3ccccc3c2=O)C1 47415779 MBCVDAWZPSAJPD-HZPDHXFCSA-N 371.485 1.666 0 40 FDAB Cc1cc(Br)cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c1 562645085 YASWSCKRKBMUER-NSHDSACASA-N 364.217 1.232 0 40 FDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 44450452 ZECPMQJZPSNPGN-LLVKDONJSA-N 352.350 1.398 0 40 FDAB COc1ccccc1CNC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 85472547 RHYXRNWHJYJRFX-HNNXBMFYSA-N 360.435 1.801 0 40 FDAB C[C@@H]1CCCN(c2ccc(NC(=S)NCCN3CCOCC3)cn2)C1 223893226 PRUVTUAJEAIHNZ-OAHLLOKOSA-N 363.531 1.937 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994582 RZXDLOXJDMNYRB-MRHIQRDNSA-N 350.802 1.537 0 40 FDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 514290151 UOAUXLAXILLJDA-NHCUHLMSSA-N 364.493 1.587 0 40 FDAB biogenic,in-vitro CC(C)C(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145076 UXJAASHJYGETNV-UHFFFAOYSA-N 352.456 1.622 0 40 FDAB Cn1nc(C2CCN(CCC3OCCCO3)CC2)n(-c2ccccc2)c1=O 77152550 HXUKQOWFAJTQFX-UHFFFAOYSA-N 372.469 1.904 0 40 FDAB COC(=O)[C@]12Oc3c(OC)ccc4c3[C@]13CCN(C)[C@@H](C4)C3=CC=C2OC 96316385 ROOZZSFGECGYSX-DLPLYFIVSA-N 369.417 1.968 0 40 FDAB biogenic,in-vitro CC(C)CS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 96227472 MUBDWUNSAIHBQU-AEFFLSMTSA-N 365.499 1.738 0 40 FDAB CC[C@@H](O)Cn1nc(-c2ccc(F)cc2)nc1CCN1CCN(C)CC1 96132458 JVMKAYJEIYLDNY-QGZVFWFLSA-N 361.465 1.645 0 40 FDAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 96220925 JKCGNDHIVYKROM-ZWKOTPCHSA-N 359.470 1.843 0 40 FDAB Cc1nc2c3c(F)cccc3nn2c(C)c1CCC(=O)Nc1nnn[nH]1 95479764 CCNNTARTIKHGGT-UHFFFAOYSA-N 354.349 1.723 0 40 FDAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)Nc1cccnc1 96037562 XEBNWLFIPVXMKX-UHFFFAOYSA-N 364.409 1.966 0 40 FDAB Cc1cnc(C(=O)N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)cn1 253600922 DBEJDPDNHGWFLV-AWEZNQCLSA-N 354.414 1.308 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)C1CCOCC1 257317627 VKOKOZUXEUJUNU-ZRNYENFQSA-N 374.481 1.574 0 40 FDAB Cc1cc(-c2cc(=O)n(CC3(O)CCNCC3)nc2-c2ccco2)on1 257220102 DJNSRWOQAAAILY-UHFFFAOYSA-N 356.382 1.581 0 40 FDAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3ccncc3)[C@H](O)[C@@H](C)O2)c1 257272498 NCQANUOISXWFGV-LCPZFUNLSA-N 372.421 1.462 0 40 FDAB COC(=O)[C@@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@@H](C4)C3=CC=C2OC 253505182 ROOZZSFGECGYSX-SZFUDVHCSA-N 369.417 1.968 0 40 FDAB biogenic,in-vitro CC[C@H](C)[C@@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)n1cnnn1 604419421 MZZDQYLHPUSAPI-BBRMVZONSA-N 368.445 1.709 0 40 FDAB CC[C@@H](CNS(=O)(=O)N1CCC(C(=O)O)CC1)Oc1cccc(C)c1 645991032 AXUFZWZHCVOETR-HNNXBMFYSA-N 370.471 1.783 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c2ncccc12 654772496 VJVBXBFXJPYKOL-LBPRGKRZSA-N 350.396 1.871 0 40 FDAB CNS(=O)(=O)c1csc(C(=O)N2CCOC[C@@H]2c2ccccc2)c1 673991562 SUHYZNSCEROVJD-CQSZACIVSA-N 366.464 1.870 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccccn2)cc1OC 298148795 VGUCGVUSADNJKU-UHFFFAOYSA-N 357.410 1.116 0 40 FDAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@H](C)N2CCc3ccccc32)o1 1775957413 SXLNQFVAOMLUCE-JGGQBBKZSA-N 356.426 1.718 0 40 FDAB Cc1nnc2c(N3CC[C@@H](NC(=O)c4cccc(N(C)C)c4)C3)nccn12 390828937 CGWDGGSQOXHTRS-OAHLLOKOSA-N 365.441 1.507 0 40 FDAB Cc1ccc(CN([C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423228 ZKHJIHAJENVFHN-HZPDHXFCSA-N 357.497 1.171 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)cn1 585096744 BZCHPKAZNTWNTE-INIZCTEOSA-N 353.426 1.624 0 40 FDAB CCOc1ccc2c(=O)n3c(nc2c1)CCC(=O)N3CC(=O)N(CC)CC 5452784 XLCRARKRRMSCIS-UHFFFAOYSA-N 372.425 1.074 0 40 FDAB CC(=O)c1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 12899044 NXAZUNAHGJLWOO-UHFFFAOYSA-N 371.418 1.957 0 40 FDAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)CN3CCCC3)CC2)on1 13226285 DJWZOMOEBXEQJQ-UHFFFAOYSA-N 371.441 1.947 0 40 FDAB O=C(O)COc1ccccc1/C=C1\NC(=S)N(C[C@H]2CCCO2)C1=O 13302823 VDXZKGGTJOYEQK-YFBAIUBQSA-N 362.407 1.387 0 40 FDAB CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 16601489 MLBJBGXOTKPPOW-OAHLLOKOSA-N 368.499 1.945 0 40 FDAB CC(=O)NCC(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19021408 PWWCALSOPFSDII-UHFFFAOYSA-N 359.470 1.787 0 40 FDAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCN2CCOCC2)n1 19457500 ZENOPKKWXRSGRU-GFCCVEGCSA-N 366.853 1.168 0 40 FDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2cccc(F)c2)CC3)C1 19709247 DBYZNTJCNVIZRD-MRXNPFEDSA-N 371.460 1.854 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCCc3cn[nH]c3)C2)c1 19750246 YWGJDKPTIHJCJW-MRXNPFEDSA-N 356.426 1.629 0 40 FDAB CCNC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1 3458610 YYXZCGWJZKUGCD-FMIVXFBMSA-N 368.455 1.410 0 40 FDAB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 5652275 BOLXTNXQRYLGMF-UHFFFAOYSA-N 360.438 1.374 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)nc(O)c1F 1888834779 ULIFXRVWZUTKNV-AVGNSLFASA-N 350.394 1.093 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3nccn4nccc34)CC2)n1 1889148770 DWVABLGFZDABRJ-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB Cc1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(N2CCCC2)n1 1889148792 OJSXUZKYICAOJC-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OC[C@@H]2C)n1 1848356450 JCDYJJZHWCNREW-JTQLQIEISA-N 354.432 1.269 0 40 FDAB CCn1cc(C(=O)N2CC[C@H](c3ncon3)C2)c(=O)c2ccc(C)nc21 238838035 HEKFIEBFBGAWME-LBPRGKRZSA-N 353.382 1.738 0 40 FDAB CCn1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)n1 2037984951 SSUZXEWQJZOTMK-QAPCUYQASA-N 368.437 1.797 0 40 FDAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)C3=CCCC3)CC2)[nH]1 2055771809 ACEKKRKFDAPFNQ-UHFFFAOYSA-N 368.441 1.105 0 40 FDAB CCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734517 FUEKMRCUMBICAE-UHFFFAOYSA-N 351.422 1.724 0 40 FDAB COc1cccc(NC(=O)N[C@@H]2C[C@@H](c3nc(C)nn3C)CC[C@H]2O)c1 2332241560 HBSYHFWHSHNURS-APHBMKBZSA-N 359.430 1.951 0 40 FDAB COC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CC1 40017918 FVLFOYAEYLCMKB-UHFFFAOYSA-N 359.470 1.529 0 40 FDAB COc1ccc(OCCN2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 40143832 IQOWDVHIGRPCOG-MRXNPFEDSA-N 358.442 1.676 0 40 FDAB Cn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O 2775092 YAZDHFTYWXUWPQ-UHFFFAOYSA-N 356.308 1.250 0 40 FDAB Cn1cccc1/C=C(/NC(=O)c1cccs1)C(=O)NCCc1cnc[nH]1 4902858 CUAFIBHOTKVGLR-XNTDXEJSSA-N 369.450 1.940 0 40 FDAB CCCNCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 6430856 KBDSCFOYHAKDHF-UHFFFAOYSA-N 366.487 1.876 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 3369950 LNFWCLGJHDCKMW-UHFFFAOYSA-N 358.442 1.446 0 40 FDAB COc1cc2oc(=O)c(CC(=O)NCCCC(=O)O)c(C)c2cc1OC 2121164 XSHOHYUGVNHCNQ-UHFFFAOYSA-N 363.366 1.642 0 40 FDAB biogenic Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@H]2c1ccccc1 9289399 QXCQHEMXBGGWCT-GOSISDBHSA-N 366.469 1.956 0 40 FDAB Cc1csc([C@](O)(CC(=O)N[C@@H](C)Cn2cccn2)C(F)(F)F)n1 58226876 IEKDCUZZQWFEKQ-TVQRCGJNSA-N 362.377 1.993 0 40 FDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 58202884 WAPUCNYEMMVGMQ-GFCCVEGCSA-N 366.361 1.527 0 40 FDAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 58209415 JWIOKEVVWJHTAA-NSHDSACASA-N 370.833 1.711 0 40 FDAB COC(=O)[C@@]1(CC(=O)N(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186622 VWFDYJRCOOVJST-JXXFODFXSA-N 358.438 1.630 0 40 FDAB COc1ccc(NC(=O)C[C@@H](C(=O)O)N(CCO)Cc2ccccc2)cc1 10384110 KCRFQYYRZZHQSP-SFHVURJKSA-N 372.421 1.972 0 40 FDAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN(C)CC(OC)OC 2281191 UGSXESDKYRXCJJ-UHFFFAOYSA-N 363.414 1.752 0 40 FDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1cccs1 36730751 KXCKBBNQOQMMEQ-UHFFFAOYSA-N 367.448 2.000 0 40 FDAB CNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 36812043 NPKOIYOKAKVENZ-SSDOTTSWSA-N 365.484 1.946 0 40 FDAB COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1S(=O)(=O)N(C)C 12578545 JJBSRGPLQMPMQM-GFCCVEGCSA-N 370.427 1.025 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccnc1N1CCOCC1 12595087 DOCCHYSLYMGKIP-GASCZTMLSA-N 361.442 1.865 0 40 FDAB COc1ccc(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1OC 20799881 APGBMHUOGLZSOD-UHFFFAOYSA-N 368.393 1.839 0 40 FDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1cc(Br)cs1 48374642 ANTLZCMGCLBBQE-UHFFFAOYSA-N 357.281 1.976 0 40 FDAB Cc1noc(C2CCN(C(=O)c3cnc4sc(C)cn4c3=O)CC2)n1 92883121 ZKLMICOXHLDKHX-UHFFFAOYSA-N 359.411 1.776 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 9114324 JSBSEWFKGCGYJI-LBPRGKRZSA-N 360.389 1.325 0 40 FDAB Cc1ccc(C)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9255468 YHBZYKURXDAEFC-ZDUSSCGKSA-N 363.439 1.407 0 40 FDAB COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1 4687296 APNUVAKKGLJMJD-HNNXBMFYSA-N 362.455 1.972 0 40 FDAB O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 6789730 MDWGMOOOXUDWCN-UHFFFAOYSA-N 358.410 1.988 0 40 FDAB CN(C(=O)CSc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 4835192 ZGDKGQKSHOLEQK-ZDUSSCGKSA-N 366.468 1.005 0 40 FDAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 9478734 VZANXOWQDCJGTI-XJKSGUPXSA-N 356.513 1.751 0 40 FDAB C[C@@H](Sc1nnc(CCC(N)=O)n1C)C(=O)NC1CCCCCC1 8175366 HSZVAEMRXPBCIK-LLVKDONJSA-N 353.492 1.553 0 40 FDAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)cc1 8326930 ZQVJFTQZVYPBPV-BUXKBTBVSA-N 359.426 1.605 0 40 FDAB COc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1S(N)(=O)=O 94106529 DDALVGWCBXYJTL-CSKARUKUSA-N 360.435 1.715 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCCO)nc2c1 8708766 LELJZXZHLDHAGI-GFCCVEGCSA-N 364.423 1.447 0 40 FDAB CNC(=O)NC(=O)CN1CCC(CCc2cc(OC)cc(OC)c2)CC1 8768024 QXKPSWYDRYMCJB-UHFFFAOYSA-N 363.458 1.804 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)N(C)c3ccccc3C(=O)O)cc12 97165046 OOYUJROOUFNGJZ-UHFFFAOYSA-N 360.395 1.800 0 40 FDAB C[C@@H](Cn1ccnc1)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1 72309507 UMKNZTGBKJOBTI-AWEZNQCLSA-N 371.441 1.581 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 89484463 AAMTWQJWVWOOGP-RDJZCZTQSA-N 369.531 1.133 0 40 FDAB Cn1cc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2cccnc2)cn1 306123306 AJQNUFQHRHTGCF-MOPGFXCFSA-N 362.437 1.698 0 40 FDAB COc1ccc(Cn2c(NN)nc3cc(OC)c(OC)cc3c2=O)cc1 408712732 LVAGQHCERIZHLL-UHFFFAOYSA-N 356.382 1.756 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)ccc1F 510455039 ARSZOKLLLCQBBE-HNNXBMFYSA-N 366.418 1.947 0 40 FDAB NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)c1 512270460 OYGYQANYKYPJGQ-RYUDHWBXSA-N 350.419 1.518 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CC2)n[nH]1 527196194 KXRTUAPJDVPYBK-MHDGFBEUSA-N 373.379 1.113 0 40 FDAB CNC(=O)NC[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2)CCO1 527638349 IWTYTNWHVMWORD-CQSZACIVSA-N 354.838 1.222 0 40 FDAB COc1cccc(OC)c1C(=O)NC(=S)Nn1c(C)nnc1SC 33662284 BNUQUFVWGOVWFS-UHFFFAOYSA-N 367.456 1.584 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)N(CC(=O)O)C3CCOCC3)CC2=O)c1C 532602266 OUHYSTLNPSJTGD-HNNXBMFYSA-N 374.437 1.749 0 40 FDAB COCc1nnc(NC(=O)CCCn2cnc3ccccc3c2=O)s1 36359453 IJEGMCCEIULKCQ-UHFFFAOYSA-N 359.411 1.813 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 36612394 CRARDMXWCSXRES-UHFFFAOYSA-N 372.469 1.591 0 40 FDAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[nH]c1=O 79189223 FYCINCFIQRBUIU-BBRMVZONSA-N 353.330 1.937 0 40 FDAB biogenic Cc1cc(=O)n2nc(NCc3ccc(N4CCOCC4)nc3)sc2n1 48304098 LVOUWPIBYLAFGS-UHFFFAOYSA-N 358.427 1.303 0 40 FDAB CN1CC[C@@H](N2CCC(NC(=O)Cc3nsc4ccccc34)CC2)C1=O 570039220 BWRPIAVXLIKVHQ-MRXNPFEDSA-N 372.494 1.650 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)c1 45744731 HBNPIVSVLUHLKD-CQSZACIVSA-N 354.472 1.874 0 40 FDAB CCOc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222672240 XQSXXHSZVYYGKZ-UHFFFAOYSA-N 373.409 1.609 0 40 FDAB Cc1c(C(=O)NCCc2nnc3n2CCC3)cnn1-c1ccc(F)cc1 69519355 NDDJHQPIRGIKBA-UHFFFAOYSA-N 354.389 1.830 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H]1CCCO1 223276184 GYNGMUKHHHCQEI-HOTGVXAUSA-N 370.471 1.535 0 40 FDAB O=C(c1c[nH]cn1)N1CCOC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 96240465 CUHMVRXQCWRHSY-KSSFIOAISA-N 357.414 1.165 0 40 FDAB Cn1cc(-c2nc(C3CCN(S(C)(=O)=O)CC3)cc3c2ncn3C)cn1 96267150 OPXXYGYXYHOGSB-UHFFFAOYSA-N 374.470 1.508 0 40 FDAB O=C(c1cscn1)N1CCC2(CC1)CCN(S(=O)(=O)C1CC1)CC2 96071764 FMVALSSWDHHTSW-UHFFFAOYSA-N 369.512 1.954 0 40 FDAB COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CN1c1ncccn1 96240383 RRTNOJBJPJXKRL-QGZVFWFLSA-N 356.474 1.718 0 40 FDAB CC(C)CN1Cc2c(C(=O)NC3CC3)ncn2-c2ccccc2S1(=O)=O 96147372 XNWCJXPYODTFEO-UHFFFAOYSA-N 374.466 1.925 0 40 FDAB O=C(NCCn1cnc2ccc(F)cc2c1=O)[C@@H]1COc2ccccc2O1 95475604 DILCLPZBVNYDQJ-KRWDZBQOSA-N 369.352 1.492 0 40 FDAB Cc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242701688 WKBASTRHGPAGMJ-JKIFEVAISA-N 354.472 1.728 0 40 FDAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]21 247509235 HWKHFMBLILWTMU-QGPMSJSTSA-N 361.467 1.231 0 40 FDAB O=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCOCC1)C2 247322257 MHEQJEOVGHWIIY-OAHLLOKOSA-N 366.483 1.266 0 40 FDAB Cc1oc2c(c1C(=O)NC[C@]1(O)CCN(c3cnccn3)C1)CCCC2 257336819 YQEAURBOUXTUOB-LJQANCHMSA-N 356.426 1.628 0 40 FDAB CC(C)(NC(=O)Cc1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257344176 ZWBBBBXBNLDLGG-BFYDXBDKSA-N 366.433 1.044 0 40 FDAB CC1(C)CCN(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)CC[S@]1=O 593700921 VFOSZKWZOZPUEH-AVRWGWEMSA-N 366.483 1.972 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCCN2CC=CCC2)[C@H]1c1cnn(C)c1C 614258358 ABQIKAPOGWDUBF-YJBOKZPZSA-N 359.474 1.016 0 40 FDAB C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)n1ccc(C(F)(F)F)n1 632489404 JLXORSDGABKQMY-QPUJVOFHSA-N 358.295 1.945 0 40 FDAB COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CC(F)(F)CO)CC2)c1 636132714 HXHAIIAWHWFXQW-JKSUJKDBSA-N 354.397 1.571 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCn1nc(-c2ccccn2)cc1C1CC1 96121714 FSWMLDBEVHHUQL-UHFFFAOYSA-N 367.409 1.088 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)s1 96124235 FHPTVNYZFANWSY-UHFFFAOYSA-N 370.442 1.093 0 40 FDAB Cc1ccccc1CCNC[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O 585286120 VWYLTKFRAVOXDG-RBBKRZOGSA-N 368.477 1.765 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 59320009 FMXGHKLNASYUMF-LLVKDONJSA-N 350.385 1.181 0 40 FDAB CC(C)(C)OC(=O)N1CCN(CCCNc2ccncc2C(N)=O)CC1 95997093 ODVSMKPPEKTFEV-UHFFFAOYSA-N 363.462 1.535 0 40 FDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2)n1 96375429 KRTBEBJRWRLDPH-YIONKMFJSA-N 360.439 1.448 0 40 FDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2N1 42233521 HZSYYWCUKHETFL-UHFFFAOYSA-N 366.782 1.790 0 40 FDAB COc1ccc(CNC(=O)Cn2nc(C)n3c(cc4occc43)c2=O)cc1 5149232 FEEIRUHGWDHUBT-UHFFFAOYSA-N 366.377 1.876 0 40 FDAB COC(=O)c1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12346914 VLMYMOTUFYTAQW-CZUORRHYSA-N 371.393 1.102 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)NC1CCCCC1 13943989 YCUPRAUVPBBQFD-UHFFFAOYSA-N 359.470 1.801 0 40 FDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1ccc(C)cc1 14162955 FPDWPUCVTBJNHV-DLBZAZTESA-N 372.469 1.339 0 40 FDAB CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(C)=O 19021399 XYBHXEAYUPJFMZ-ZVDOUQERSA-N 371.481 1.908 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccn(C)n4)[C@H]3C2)cc1 19211869 TXQWHUNAZRDLRH-KMFMINBZSA-N 374.466 1.168 0 40 FDAB CCc1cc2c(=O)n(CC(=O)NCCc3c(C)nn(C)c3C)cnc2s1 19714831 ARDGIFXTFFSTPH-UHFFFAOYSA-N 373.482 1.730 0 40 FDAB CCOc1nc(=NC[C@@H]2CCCN2c2cc(NC)ncn2)[nH]cc1Cl 651306322 FBLMNUSWVFFXND-NSHDSACASA-N 363.853 1.863 0 40 FDAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N4C[C@H](O)C5(CC5)C4)c3)cc21 548637356 DCMGDUGRZRFMDN-INIZCTEOSA-N 364.405 1.938 0 40 FDAB COc1ccc(OCCCC(=O)OCC(=O)NC(=O)NC(C)C)cc1 4242968 ATSVDLTZPMKVRA-UHFFFAOYSA-N 352.387 1.632 0 40 FDAB CN(C1CCCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 12809257 JZKLWOSPCISKDW-UHFFFAOYSA-N 351.428 1.560 0 40 FDAB O=C([C@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCSCC1 1888834203 SWCPKNHKEYUPDG-SNVBAGLBSA-N 362.377 1.276 0 40 FDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCc3ccccc32)OCC1=O 1888866727 ZXMOSVIWJNQJNW-QRTHJKPMSA-N 369.465 1.430 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4nccn5nccc45)CC3)nn2)n1 1889205702 NVJRXERMLAMEQV-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB Cc1ccc(C(=O)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 25819067 FSTXZUQHESAZNF-OAHLLOKOSA-N 361.419 1.987 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2=O)n1 1565553133 LHKZTZGYLFWKRG-LJQANCHMSA-N 353.426 1.768 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)n1 1565543137 FVOBRPSDLDIRGB-LJQANCHMSA-N 369.425 1.357 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1565553306 SVHAERCQSCNHQR-GOSISDBHSA-N 353.382 1.800 0 40 FDAB Cc1cc(=O)[nH]c2nnc(SCC(=O)N3CCCc4ccccc43)n12 4249857 RUEVKCBLTOGMAD-UHFFFAOYSA-N 355.423 1.798 0 40 FDAB CCn1nccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2 11695994 KMKMGZBXUDIHDY-UHFFFAOYSA-N 361.427 1.220 0 40 FDAB Cc1nc(N2CCN(c3ncnc4ncccc34)CC2)cc(-n2cccn2)n1 2086889522 NNNVTICGBXPWFF-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)n1cnc2ccccc21 31717728 ABAROUJHXLUZRH-ZDUSSCGKSA-N 364.409 1.567 0 40 FDAB COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859785 QGBCVGYBTVUUJB-UHFFFAOYSA-N 363.801 1.865 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 23075265 FIBNIGMFCRRNCU-UHFFFAOYSA-N 360.370 1.766 0 40 FDAB COc1cccc(C(=O)NCCNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 30806955 BBJZIMQGWSEEDF-MZBDJJRSSA-N 358.438 1.937 0 40 FDAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325711 FSGOMNJQDGMHSH-LRDDRELGSA-N 372.512 1.984 0 40 FDAB COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)NC(=O)C(F)(F)F)cc1 20386553 OBRYANFMSQRTTA-CQSZACIVSA-N 373.375 1.579 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 11008700 WXRXZMRVALKDKD-UHFFFAOYSA-N 365.777 1.301 0 40 FDAB COc1ccc(CNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 31663598 JVQAJWOVVYWYNI-IBGZPJMESA-N 369.465 1.914 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F 36576042 WCWVFYSOCLGELG-RFAUZJTJSA-N 364.352 1.907 0 40 FDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cc(F)ccc1F 69343127 RIKMGONCHJSFCV-CMPLNLGQSA-N 363.382 1.744 0 40 FDAB O=C(NCCCN1CCOCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 20676261 IFBWQARRSYZGQT-UHFFFAOYSA-N 355.398 1.670 0 40 FDAB COc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(C=O)CC3)nc2C1 10338439 OFOPPUOPUFAJMW-CQSZACIVSA-N 366.421 1.676 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)nc1 29096619 UMNGMXKHJLCXCB-GOSISDBHSA-N 369.421 1.672 0 40 FDAB CCNC(=O)NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 58166012 PSYSIEDETPZJJX-UHFFFAOYSA-N 366.849 1.334 0 40 FDAB Cc1cc(N2CCN(C(=O)NCCc3nc(C)no3)CC2)nc(C(C)C)n1 101619209 PLJNVLCUBKHDRD-UHFFFAOYSA-N 373.461 1.674 0 40 FDAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426463 KBSBEQSTHYQPCM-UHFFFAOYSA-N 357.435 1.810 0 40 FDAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(=O)NC1=O 100497980 RVUSHBANBDHJMU-LNSITVRQSA-N 362.382 1.286 0 40 FDAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 2971959 IKWGOBKCKRCPRE-UHFFFAOYSA-N 373.434 1.893 0 40 FDAB CN(C(=O)COC(=O)C(C)(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 23512181 LCLJTWRWPHMUSZ-CQSZACIVSA-N 353.440 1.153 0 40 FDAB COc1ccc(OC)c(CN2CCN(C(=O)Cn3ccccc3=O)CC2)c1 23642122 GBOOBOZCBVFTGZ-UHFFFAOYSA-N 371.437 1.210 0 40 FDAB CCC(CC)[C@@H](CNC(=O)CNC(=O)c1ccco1)N1CCOCC1 24838938 KDJYXRYLSPAHEU-OAHLLOKOSA-N 351.447 1.263 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(COc2ccccc2)CC1 55425787 KMVHRNIEGQGSKE-UHFFFAOYSA-N 371.437 1.622 0 40 FDAB C[C@@H]1CN([C@H](CNS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 106562656 JVIMGSUUWXJPOC-ZWNOBZJWSA-N 350.843 1.790 0 40 FDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cnn(C)c1 25046857 UGJMCDCUTMIAMG-SFHVURJKSA-N 353.426 1.607 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 25194427 QZFYHSUCEJHNQW-UHFFFAOYSA-N 361.442 1.084 0 40 FDAB CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)cc1 25467395 BSDRRKYLPLRBFM-UHFFFAOYSA-N 359.470 1.696 0 40 FDAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCC(F)(F)F 35286719 YVOVMWGYEZIPHX-UHFFFAOYSA-N 362.327 1.336 0 40 FDAB Cn1c(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(=O)n(C)c1=O 57378634 WAWXZHWTJLQESP-MRXNPFEDSA-N 371.437 1.582 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2nnc(CC(C)C)s2)CC1 57883075 KPRHYILBXFESRZ-UHFFFAOYSA-N 360.505 1.737 0 40 FDAB Nc1nc(CN2CCN(C(=O)CC[C@H]3CCOC3)CC2)nc2ccccc12 177830153 WVNHKQIEMZDUEY-HNNXBMFYSA-N 369.469 1.673 0 40 FDAB Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2ccccc2)n1 58162540 NHTYVOCQDCWNCV-UHFFFAOYSA-N 362.455 1.791 0 40 FDAB CCN(CC(=O)NC)S(=O)(=O)c1cc(Br)ccc1F 58184187 VCYOTSHMERIUJU-UHFFFAOYSA-N 353.213 1.345 0 40 FDAB Cc1cc(NC(=O)CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)no1 58178015 VZGUEZAZQKRAGW-HNNXBMFYSA-N 358.398 1.631 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1 3340539 UEYLWMMLZUIBJK-UHFFFAOYSA-N 365.411 1.138 0 40 FDAB Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2)n1 58418620 DWUNRTRAGLDIQJ-MRXNPFEDSA-N 361.467 1.713 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1cscn1)C2=O 48356050 KNNHWDAEDYVSFD-BDJLRTHQSA-N 350.444 1.602 0 40 FDAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1cccc(F)c1 3541781 HBFXHLREBWLINK-UHFFFAOYSA-N 358.373 1.434 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)n3cccn3)CC2)c1C 13019015 PJACFOSFAVVQGC-QGZVFWFLSA-N 369.469 1.844 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 13007289 CSMQNQYWMCUETJ-CYBMUJFWSA-N 363.391 1.592 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cnn(-c2ccccc2)c1 14170127 ZRYCSYAJTXMLFX-UHFFFAOYSA-N 359.389 1.968 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cc(Cl)ccc2F)c(=O)[nH]c1=O 14142184 PKKOGGSLMVGNQP-UHFFFAOYSA-N 368.796 1.988 0 40 FDAB CN(C)Cc1cccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 91701155 HTMCJHRZGSRYIK-KRWDZBQOSA-N 366.421 1.751 0 40 FDAB CN1CCN(c2c(F)cc3c(c2F)N(CCF)C[C@@H](C(=O)O)C3=O)CC1 21985219 NXMDNIYZQTTZFR-LLVKDONJSA-N 371.359 1.390 0 40 FDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1 96013494 PEMLDKPXXZEJGC-UHFFFAOYSA-N 367.452 1.279 0 40 FDAB O=S(=O)(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 96005051 CRCPNKVUERZJFM-HNNXBMFYSA-N 373.500 1.097 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 9616858 WMWQQIYVYPQFNG-UHFFFAOYSA-N 359.382 1.906 0 40 FDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C 97014044 GVKILFLPQJKUNF-JHJVBQTASA-N 357.480 1.180 0 40 FDAB C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)NCC(=O)N1CCCC1 77371379 QEKTVMLYDXGNCO-GOSISDBHSA-N 372.513 1.321 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)nn1 95997891 WEVKNSWTBAEYIR-UHFFFAOYSA-N 354.197 1.310 0 40 FDAB O=C(NCc1cccnc1)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 79101223 VRMGOAJSBHJLMH-SFHVURJKSA-N 352.438 1.972 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408625729 UBSGAIFLZZBIIJ-NXEZZACHSA-N 364.851 1.167 0 40 FDAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123433291 XIMHBRWYDJFACW-RGZWINQWSA-N 366.498 1.796 0 40 FDAB Cn1nc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c2c1CCCC2 519864514 YNHDJWJQATVBKB-GOSISDBHSA-N 366.465 1.872 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)NCc1nc2ccccc2s1 31099410 QSKUXYFIAKKXEE-UHFFFAOYSA-N 372.435 1.417 0 40 FDAB c1cnc(-c2cnc(NCCCN3CCOCC3)nc2[C@@H]2CCCO2)cn1 72324900 LFMBSYXGNZCPML-KRWDZBQOSA-N 370.457 1.919 0 40 FDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)Cc3cccs3)cc2)[C@H]1CO 72321462 WIRUPBPBZPUGOB-CRAIPNDOSA-N 360.435 1.820 0 40 FDAB biogenic,in-vitro COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)O)n2)c1 49548984 VLDPJEMTJKDCQC-INIZCTEOSA-N 373.409 1.534 0 40 FDAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)N1CCOCC1 210852647 AMIXPXKTTRRRER-UKTHLTGXSA-N 350.371 1.721 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)COc1cn(C)c(C)cc1=O 72403792 OHXQMSCHWOARLB-UHFFFAOYSA-N 359.382 1.678 0 40 FDAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NCCN1CCOCC1 225433241 WOYVJKWQMZKNFO-LBPRGKRZSA-N 363.389 1.596 0 40 FDAB biogenic,in-vitro O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](Oc2cccnn2)C1 225419151 OLEGJLYFIXSELR-CQSZACIVSA-N 356.407 1.867 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)c1 225522037 AOBYJDSJUFCDNJ-UONOGXRCSA-N 368.437 1.753 0 40 FDAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223611182 DFYWGAUVHIWBMN-DLBZAZTESA-N 360.483 1.884 0 40 FDAB C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCCCO1 332961649 LLKMVFNXZMPQCF-RWMBFGLXSA-N 356.448 1.322 0 40 FDAB O=C1N[C@@H](CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 96113936 SDMWCRRCKPGDGU-PSGMQZRDSA-N 371.437 1.281 0 40 FDAB biogenic CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccoc3C)CC2)O1 96036756 RIXZJRVDGQAJLO-AWEZNQCLSA-N 358.398 1.061 0 40 FDAB Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)o1 96240957 XAGVBSQJRDGZFL-OAHLLOKOSA-N 362.426 1.316 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)C1CCOCC1)CC2)c1cnccn1 96051543 WSGOXMUDOFTINP-INIZCTEOSA-N 358.442 1.404 0 40 FDAB Cn1cc(N2C[C@@]3(COCCN(Cc4ccc(F)cc4)C3)OCC2=O)cn1 96051433 CQYIYFMRVGFGSK-IBGZPJMESA-N 374.416 1.194 0 40 FDAB O=C(c1cnc2cnc(Br)cn12)N1CCC[C@](F)(CO)C1 583650869 IDKHAMAHOFPZEY-CYBMUJFWSA-N 357.183 1.428 0 40 FDAB O=C(CCCn1cnc2ccccc2c1=O)Nc1nc([C@@H]2CCCO2)n[nH]1 95474442 ZCWZXGZYOOMJGM-AWEZNQCLSA-N 368.397 1.785 0 40 FDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3nccs3)CCN21 253409268 ZWQZFJCYLQUKAP-ICSRJNTNSA-N 372.538 1.896 0 40 FDAB biogenic,in-vitro CC(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 257312866 UPWVJFGFLSMGIE-MSOLQXFVSA-N 357.454 1.695 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257268345 MLHDDQUZVGPCPW-GJZGRUSLSA-N 350.806 1.362 0 40 FDAB Cc1noc(C)c1CCC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1 257326718 WYHRDJKRZRRZOU-SFHVURJKSA-N 359.430 1.114 0 40 FDAB CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 257278127 OAXYMJVSOHUTME-IBGZPJMESA-N 360.433 1.898 0 40 FDAB CC(=O)N1[C@@H]2CN(C(=O)CN(C)Cc3ccccn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257297893 RJFYRJFNUWTAFZ-YOUFYPILSA-N 370.497 1.904 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)c1 257208234 BLGXOFLGCLXFME-HXUWFJFHSA-N 354.454 1.213 0 40 FDAB Cc1nc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ccc1Br 643718774 GTJJSRJCRAKYQD-OAHLLOKOSA-N 356.264 1.962 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(CCC(=O)NCc2ccccc2Cl)C1 643805150 DQRNWBXVHGXWES-KRWDZBQOSA-N 353.850 1.049 0 40 FDAB CC[C@@H](CNC(=O)N1CCO[C@@H](C(=O)O)C1)Oc1ccccc1Cl 666535079 TTZGMFZIKVCBCJ-SMDDNHRTSA-N 356.806 1.992 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575402774 BVOWVYBLWAKLFQ-UHOFOFEASA-N 358.467 1.843 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)n(C)n1 585095070 CQRCJGKIPFSPMY-QGZVFWFLSA-N 373.501 1.657 0 40 FDAB O=C(COC(=O)c1cc(Cl)ccc1Cl)N[C@@H]1CCCCNC1=O 46217495 YSRFYUDFZUYRMX-GFCCVEGCSA-N 359.209 1.935 0 40 FDAB C[C@H]1CN(CC(=O)NC2CCCCCC2)CCN1c1nccn2cnnc12 89939336 WNBFHDBJLYMLRT-HNNXBMFYSA-N 371.489 1.474 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nccn(C3CC3)c2=O)C1 547681241 XONOPJWYLZJEJX-QGZVFWFLSA-N 359.455 1.585 0 40 FDAB O=C(CCN1CCCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155433 HWMZXDWYOMNUME-NRFANRHFSA-N 371.481 1.897 0 40 FDAB CCOC(=O)C1=C(CN(C)CCOc2ccc(F)cc2)NC(=O)NC1 15101582 NHQDBUICIJZCHI-UHFFFAOYSA-N 351.378 1.266 0 40 FDAB COc1cc(C)c(NC(=O)Cn2nnc3ccccc3c2=O)cc1OC 15192584 TVRDEMOFAUVQGW-UHFFFAOYSA-N 354.366 1.756 0 40 FDAB CC(C)C[C@H](NC(=O)CCCCC(=O)N[C@H](CC(C)C)C(=O)O)C(=O)O 16575061 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O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12806633 OWXIZHSCDAFVTH-KRWDZBQOSA-N 353.378 1.206 0 40 FDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1cc(C)ccc1OC 3416592 NAJLTLYAWANGFU-UHFFFAOYSA-N 364.431 1.307 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccc(F)c1 13003632 WRGPHGNBRGQGKC-GOSISDBHSA-N 370.428 1.898 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)c3ccc(Cl)nc3)cc2)CCN1 49770114 CBUAAIJEPKGHEO-UHFFFAOYSA-N 372.812 1.237 0 40 FDAB C[C@@H](C1CC1)n1nccc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 70727900 WZKNMUFNQASDRX-NSHDSACASA-N 373.438 1.531 0 40 FDAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 8180913 YVROEAQTLBPUOM-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB CC(C)C[C@H](NC(=O)CCCn1c(O)nc2ccccc2c1=O)C(=O)O 8972250 BKETUBLOINXZQC-AWEZNQCLSA-N 361.398 1.498 0 40 FDAB biogenic CS(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 9458853 QDGSOYCQLHKYLI-UHFFFAOYSA-N 361.419 1.834 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc(F)c1 97015129 ROVYNWFMFLAHSV-ZDUSSCGKSA-N 354.407 1.518 0 40 FDAB 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679833393 ASXZXNHHIDCDAB-CQSZACIVSA-N 368.315 1.805 0 40 FDAB Cc1cc(C)n(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1 12253106 FRGFPMZITCHVRZ-UHFFFAOYSA-N 371.466 1.746 0 40 FDAB CCN(CC)[C@@H]1[C@@H](O)[C@H](NC(=O)Nc2ccc(OC)cc2)[C@H]2CO[C@@H]1O2 12483670 SZBIGZZBXHDICC-OVYGPGRDSA-N 365.430 1.012 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 13610399 LSVHLZSDPDLEPA-OAHLLOKOSA-N 352.456 1.698 0 40 FDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccc2c(c1)OCCO2 19286367 BIVKLBNHRFPQFD-LSDHHAIUSA-N 353.422 1.981 0 40 FDAB O=C(CCc1ccncc1)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19405086 QKNZGQIANOVSPI-QGZVFWFLSA-N 367.453 1.662 0 40 FDAB COC(=O)c1c[nH]c(=O)c(NCc2cc3cc(OC)ccc3[nH]c2=O)c1 19563551 XIHLIBXGOUFQFF-UHFFFAOYSA-N 355.350 1.624 0 40 FDAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)[C@@H]2CCOC2)cc1 19590917 QGXAZGWKYFNUEX-CJNGLKHVSA-N 352.394 1.935 0 40 FDAB CC(=O)N1CCc2nnc([C@H]3CCCN3C(=O)C3CCCCC3)n2CC1 19710729 JKGVLCICKCDMOC-MRXNPFEDSA-N 359.474 1.927 0 40 FDAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1 510131584 FICQAPMQCACWTN-UHFFFAOYSA-N 366.801 1.254 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)Cc2ccc(C)cc2F)C[C@H]1c1cnn[nH]1 657145524 MDZPJDCTZHJGKU-SWLSCSKDSA-N 354.407 1.196 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)[C@H]5CC=CCC5)C[C@H]4C3)ncnc21 1888866271 ODDMYYCXJHKQQP-SOUVJXGZSA-N 352.442 1.614 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)nc2ccccc21 1888909717 PYYPIHUKGQRPRV-GJZGRUSLSA-N 364.453 1.998 0 40 FDAB Cc1cc(C(=O)NCc2noc([C@@H]3CCC(=O)N3CC3CC3)n2)n(C)n1 1775964141 UCXFCEXOEBIVRI-LBPRGKRZSA-N 358.402 1.115 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)on1 2037895380 YWHKZSKOFUOWNH-WFASDCNBSA-N 361.373 1.907 0 40 FDAB CCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 11796299 RYEHPALCRLQJRO-UHFFFAOYSA-N 371.478 1.584 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)C2CC(F)C2)CC1 2055746390 WTOOZAGREDBHAG-UHFFFAOYSA-N 351.426 1.030 0 40 FDAB Cc1c(CN[C@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)cnn1C 2055772152 BVTVTYJFYWPCDW-AWEZNQCLSA-N 369.425 1.887 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccncn4)CC3)nn12 1775974157 XIVQLXNVCMJNJA-UHFFFAOYSA-N 350.308 1.260 0 40 FDAB O=C(CN1CCC(Oc2ccn3nccc3n2)CC1)N1CCCCCC1 2298049604 YNBLHFGLCZQDAF-UHFFFAOYSA-N 357.458 1.975 0 40 FDAB CCOC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@@H](OCC)[C@@H]1OCC 21986497 RFYAWWPXHYUJQA-LIBKGXAOSA-N 369.397 1.292 0 40 FDAB Nc1cc(=O)[nH]c(SCc2cc(=O)n3c(n2)sc2ccccc23)n1 16045521 VKBUAIIUFBCOET-UHFFFAOYSA-N 357.420 1.867 0 40 FDAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 40106289 YCNSVFZLPLGYDB-CQSZACIVSA-N 366.483 1.752 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCCNC(=O)c1ccn[nH]1 96006853 DNOMVCVMCMXNAK-GFCCVEGCSA-N 352.391 1.082 0 40 FDAB CC(C)(C)c1ccc(CS(=O)(=O)C[C@H](O)CN2CCCC2=O)cc1 1391327 GCVNOKCUAJGEQR-MRXNPFEDSA-N 353.484 1.882 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCC1CCOCC1 79190909 KGFOUTHDRLILHH-UHFFFAOYSA-N 357.410 1.264 0 40 FDAB biogenic CCOC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2CCO)cc1 107563660 JZRGHWFEQCUHQC-IRXDYDNUSA-N 351.443 1.840 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnc3ccccc3c2=O)cc1 6671837 JUZHUTCJAFSKKW-UHFFFAOYSA-N 365.393 1.197 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)s2)CC1 7978171 QEOSVAICXPJDOG-UHFFFAOYSA-N 360.819 1.859 0 40 FDAB Cc1cc(C)cc(O[C@@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1 101664474 UGBGUAQVWHZEJX-VLVIQNCWSA-N 358.394 1.264 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 26603083 AVCNCFJNYGDCMU-GFCCVEGCSA-N 373.240 1.852 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)on2)cc1 57777383 SKYSAFDPLOVSNF-UHFFFAOYSA-N 351.428 1.944 0 40 FDAB Cc1cn2c(=O)c(S(=O)(=O)NCc3ccc(F)cc3)c(C)nc2s1 8589419 OTSMQZGZAWGASS-UHFFFAOYSA-N 367.427 1.990 0 40 FDAB CCN(c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1)C(C)C 58218193 XKWNUAAAGWCFBR-UHFFFAOYSA-N 372.513 1.958 0 40 FDAB COc1ccc(CC[C@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 58202516 INAWVLWFJGHYGU-LBPRGKRZSA-N 359.426 1.450 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)n(C)c1 58341734 WZNWUPCTBLYNIS-UHFFFAOYSA-N 353.444 1.885 0 40 FDAB O=C(Nc1nncs1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 36352948 NCGYEFGYQWKLRD-SSDOTTSWSA-N 364.822 1.713 0 40 FDAB O=C1CN(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C(=O)N1 29019727 AQJXVRWDBWNIIY-OAHLLOKOSA-N 365.345 1.337 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c(C)s1 45958417 BQZSMCLRVSGTCR-CYBMUJFWSA-N 358.485 1.377 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCn2ccnc2)c(Cl)c1 20492653 UVNDXMBGFOFXSU-UHFFFAOYSA-N 356.835 1.728 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 60828062 GVEWQKOSCZAQTM-LBPRGKRZSA-N 353.806 1.206 0 40 FDAB O=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 95965600 GCEGCVZGWPWGOI-ZDUSSCGKSA-N 372.874 1.460 0 40 FDAB CCc1nnc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 48236973 UDFGOTYROWYQQL-HNNXBMFYSA-N 358.398 1.116 0 40 FDAB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898499 CCMXRPHHMGACKM-AWEZNQCLSA-N 354.472 1.380 0 40 FDAB O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(N2CCOCC2)nc1 20223737 WXEUDEQYSBDIBR-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)NN1CCOCC1 9504662 KWTPRDMMEWZQNH-UHFFFAOYSA-N 355.416 1.024 0 40 FDAB CCN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)[C@@H]1CCS(=O)(=O)C1 6422032 LMUVRXJUPIHWKA-LLVKDONJSA-N 374.846 1.115 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccccc2)cc1 6433513 DKRLYLFMTBTIOL-UHFFFAOYSA-N 360.435 1.656 0 40 FDAB COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)NC1CC1 14796787 FATVYJRNLQTZAX-GFCCVEGCSA-N 358.485 1.374 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 5972308 JGAOQPUULWJTLK-UHFFFAOYSA-N 351.790 1.403 0 40 FDAB CCc1ccccc1-n1c(SCC(=O)OC)nnc1N1CCOCC1 7072868 UFIXAEOCGYFBOO-UHFFFAOYSA-N 362.455 1.931 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 9836250 LKCISTTZIQSKJU-MRXNPFEDSA-N 363.414 1.921 0 40 FDAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1-n1cnnn1 73558120 RJPRTAGKGZHYET-OAHLLOKOSA-N 365.397 1.189 0 40 FDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 8324020 FPOHARCZQKKTMU-CYBMUJFWSA-N 374.470 1.095 0 40 FDAB CCNC(=O)C1CN(C(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)C1 72313804 CCTITMVUBZUCPK-SECBINFHSA-N 365.484 1.451 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1C 72307276 LAACVFYQZHCBTF-UHFFFAOYSA-N 356.425 1.457 0 40 FDAB O=C(c1cc2c(cc1O)CCCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1 84338800 BUHBKRZWXVQPJR-KRWDZBQOSA-N 372.465 1.982 0 40 FDAB COc1cc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)cc(OC)c1O 9047792 WCEZOVIEJRGHEA-LRDDRELGSA-N 365.407 1.346 0 40 FDAB COc1cccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 97325163 HZXPRKZYMGSTJJ-UHFFFAOYSA-N 361.467 1.665 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(C)(C)CN(C)C 75109999 SFFMABDVFIGYFH-CYBMUJFWSA-N 355.504 1.643 0 40 FDAB Cc1ccc(OCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 28614099 MHTGQZXGNDLWJW-UHFFFAOYSA-N 357.362 1.962 0 40 FDAB CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F 527137413 BKAXZLBWPQGKED-UHFFFAOYSA-N 373.331 1.446 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(O)CC1 35119138 KIVXLXBGFMQNSW-UHFFFAOYSA-N 350.234 1.603 0 40 FDAB O=C(CCN1CCOCC1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 72390008 MBTUUQPHHXMJEO-HNNXBMFYSA-N 371.441 1.560 0 40 FDAB Cn1nccc1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 72326897 PFILTSUDTHMIHA-UHYGZKCKSA-N 351.410 1.454 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4nc[nH]c4C3)n2)cc1 1565524446 MYPCXUXKVGBWSY-UHFFFAOYSA-N 365.393 1.227 0 40 FDAB O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@H](n2cc(CO)nn2)C1 562892253 COJLUPAKPJSSIU-INIZCTEOSA-N 356.430 1.913 0 40 FDAB CC(C)OCCNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 72394749 VKIYFLXPTZWOSI-OAHLLOKOSA-N 365.474 1.632 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1OC 72227076 IFDYLBFRWVQIHF-ZWKOTPCHSA-N 356.378 1.843 0 40 FDAB CN(C)c1nc(N)nc(CSc2nnc(Cc3ccccc3F)o2)n1 67955281 MGLKKXXTLRSFJC-UHFFFAOYSA-N 361.406 1.925 0 40 FDAB Cn1cc([C@H](NC(=O)c2ccc3cnccc3n2)C2(CO)CCC2)cn1 577116478 CQSLHXPFPVRDQD-KRWDZBQOSA-N 351.410 1.997 0 40 FDAB Cc1occc1C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 96059488 WKRQNRUBEJHTQG-UHFFFAOYSA-N 367.409 1.709 0 40 FDAB O=S(=O)(c1cnn2c1OCCC2)N1CCOc2c1ccc(F)c2F 333883229 FBUBDSKTCMVDDP-UHFFFAOYSA-N 357.338 1.532 0 40 FDAB CN1CCN([C@@H]2COC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 96074175 NVSTYAJGYYOCNU-SFHVURJKSA-N 358.486 1.022 0 40 FDAB CCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccc(C)n2)CC1 96228307 JWZGTBVORINECV-UHFFFAOYSA-N 351.472 1.697 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1ccc(-c2cnccn2)n1 244975031 HYXPIMVAQSEMSE-UHFFFAOYSA-N 363.377 1.898 0 40 FDAB COc1cccc2c(C)c(C(=O)N3CCN(C)[C@H](C(=O)N(C)C)C3)[nH]c12 257253640 JZROJSQRZRGYFA-AWEZNQCLSA-N 358.442 1.329 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)nc1 257222128 DSARQJAVZYOUGI-GOSISDBHSA-N 355.442 1.976 0 40 FDAB O=C(CC1CCOCC1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257318445 VNXYTNOKATXTPU-SFHVURJKSA-N 351.422 1.485 0 40 FDAB CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257264954 LWQSAGYSACDEDZ-BRWVUGGUSA-N 354.397 1.651 0 40 FDAB Cc1ncc(-c2cncc([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)n1C 257332523 XXQZHGPWBBSOMR-AWEZNQCLSA-N 365.441 1.939 0 40 FDAB CNC(=O)c1cnn2c(C3CCN(C(=O)c4ccncc4)CC3)ccnc12 257319778 VUADTKKTPPMXFW-UHFFFAOYSA-N 364.409 1.504 0 40 FDAB CC(C)(C)c1cc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)[nH]n1 257204495 AUXIBEPRVQAMSC-GOSISDBHSA-N 358.446 1.259 0 40 FDAB COc1ccccc1[C@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O 601989181 HSFICTDJIYYSQD-OAHLLOKOSA-N 367.409 1.653 0 40 FDAB O=C(c1cnn(-c2ccccc2)c1C(F)F)N1CCn2c(O)nnc2C1 613513034 IPBNISAFUFYGSF-UHFFFAOYSA-N 360.324 1.763 0 40 FDAB O=C(O)c1ncsc1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 656179939 COAPDILYZFZKRA-BQBZGAKWSA-N 374.362 1.620 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@H]2COC[C@H]2c2ccccc2)cc1 659129246 JHWNKCUHCYJXQP-IRXDYDNUSA-N 368.389 1.870 0 40 FDAB Cc1nnc([C@H]2CN(Cc3nc4ccccc4c(=O)n3C)C[C@@H](C)O2)o1 661929288 BSYJYNWTQFXHDP-IAQYHMDHSA-N 355.398 1.587 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)[C@@H](C)NC(=O)c2ccccc21 96343482 WUOIAECHBWTSTF-CYBMUJFWSA-N 367.405 1.477 0 40 FDAB biogenic COCCN1C[C@@]2(COCCN(Cc3ccc(OC)cc3F)C2)CC1=O 585104527 OVHKFKGLFPGALE-LJQANCHMSA-N 366.433 1.532 0 40 FDAB CO[C@]1(COc2ccccc2)CCCN(C(=O)Cn2nc(C)nc2C)C1 585277082 RUMIZQGTYCIICX-LJQANCHMSA-N 358.442 1.982 0 40 FDAB CNC(=O)C[C@]1(OC)COCCN(C(=O)CCc2cccc(F)c2)C1 585281556 ZHNVQKFUEWKEJX-GOSISDBHSA-N 352.406 1.138 0 40 FDAB Cn1cc([C@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2)cn1 681287630 KDKJDFQJEFHKEH-HNNXBMFYSA-N 365.437 1.926 0 40 FDAB COc1cc(CNC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC 44442410 HFXOJKMEPLJJAZ-UHFFFAOYSA-N 369.381 1.618 0 40 FDAB CCCn1ccnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 12581195 VFNMDDPFNKLCSD-UHFFFAOYSA-N 354.457 1.671 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 14607436 SPFVQORJZWVGPZ-IAGOWNOFSA-N 358.438 1.632 0 40 FDAB CCOc1ccc(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1OCC 17126093 UUBGQSALFHZFLS-UHFFFAOYSA-N 358.398 1.349 0 40 FDAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1C 19362580 GYEYRDLQODASDQ-GOSISDBHSA-N 372.469 1.332 0 40 FDAB CCN(CC)CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 19526328 YJZJZSDADQGZJP-KRWDZBQOSA-N 359.474 1.387 0 40 FDAB COc1ccc(CC(=O)N2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cc1 19766603 NULPHFDVNJLCAG-UHFFFAOYSA-N 368.437 1.841 0 40 FDAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(N)=O 8112933 YGKNJLPRJKKHIS-MDWZMJQESA-N 367.361 1.811 0 40 FDAB N=c1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4cccc(F)c4)CO3)C2)c[nH]1 643586006 NLDGHSLJDKFTGB-ZSZQSSIHSA-N 357.385 1.393 0 40 FDAB Cc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1C1CCCCC1 5865519 HZZBVSPDLUZBLX-LBPRGKRZSA-N 372.516 1.487 0 40 FDAB O=C(CCCn1cncn1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909049 PGAHMYPQWRSTQV-GOSISDBHSA-N 362.405 1.630 0 40 FDAB O=C(c1csnn1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565549712 ACOCFILEMISDCD-AGIUHOORSA-N 350.375 1.523 0 40 FDAB CC(C)CCN1CC[C@H]2[C@H](CC(=O)NCCc3cn(C)cn3)OC[C@H]2C1 1565543302 KGHSHRFUCLVWKY-QRQLOZEOSA-N 362.518 1.852 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2OC)n(C)c1=O 4945169 TXILDNRYWAYJQS-UHFFFAOYSA-N 369.425 1.775 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCCCCC2)no1 11898717 PPVWFLYZTUCPRG-MRXNPFEDSA-N 373.457 1.994 0 40 FDAB CCOc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13700299 GTZCNLZMTGISTG-UHFFFAOYSA-N 367.413 1.877 0 40 FDAB O=C1[C@@H](N2CCC(Oc3ncc(F)cn3)CC2)CCN1CC(F)(F)F 1775977571 VHRCTFAXOLMUDS-LBPRGKRZSA-N 362.327 1.622 0 40 FDAB Cc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1cccs1 575612648 KLNQRNUBNRNTMP-UHFFFAOYSA-N 370.500 1.236 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccccc1 102069300 CZCFRGRXCHNTJK-USJZOSNVSA-N 355.390 1.834 0 40 FDAB CCc1ccc(OC[C@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 22835402 HXWSIUJKHGSNPG-MRXNPFEDSA-N 367.409 1.441 0 40 FDAB O=c1n(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2ccccn12 22931692 BDFJARYJEPUEEF-UHFFFAOYSA-N 367.409 1.000 0 40 FDAB C[C@@H](NS(=O)(=O)N1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 23404371 NFJVHXFDYJAAMC-CYBMUJFWSA-N 360.501 1.862 0 40 FDAB CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cn2)CC1 24178527 WYWZFYYKHPAQQT-UHFFFAOYSA-N 370.475 1.391 0 40 FDAB Cc1ccc(CNC(=O)[C@@H](C)N2CCCN(CC(=O)N(C)C)CC2)cc1 24677997 QRHDXUUVSVXMRQ-QGZVFWFLSA-N 360.502 1.096 0 40 FDAB Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 928647 HHBTYQOGSCAOQR-UHFFFAOYSA-N 373.438 1.010 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccc(F)cc1 6817883 YHJKVXHQAYSCFC-UHFFFAOYSA-N 356.404 1.714 0 40 FDAB Cn1cnc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1Cl 26530240 NKCSNXMNEDCQIN-UHFFFAOYSA-N 355.729 1.793 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298294 SQARTUYQWBDAPV-QGTPRVQTSA-N 355.442 1.162 0 40 FDAB biogenic,in-vitro CN(CC(=O)N(Cc1ccccn1)C1CC1)S(=O)(=O)c1cccs1 57995560 XIJCVDSONYFPMM-UHFFFAOYSA-N 365.480 1.955 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCCCn2ccnc2)c2ccccc21 101454970 RAZCFVOSRXZLPY-INIZCTEOSA-N 369.425 1.002 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCc3nccn3C)C2)cc1 58304673 FNNDXGVYFJEQNQ-KRWDZBQOSA-N 354.454 1.940 0 40 FDAB CC(=O)N1CCN(C(=O)CNC(=O)c2cccs2)CC12CCCCC2 95451768 OUAQKCQLFSEVTM-UHFFFAOYSA-N 363.483 1.872 0 40 FDAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2359014 VUGAMOPKCDRVGL-LBPRGKRZSA-N 351.362 1.697 0 40 FDAB COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCCO3)n2)cc1OC 2449743 QZDXTJOCCKFPKX-CYBMUJFWSA-N 361.398 1.982 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(c2cnccn2)C1 29756228 IIXYWMLQRJVWAI-LSDHHAIUSA-N 354.410 1.649 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)CCOc2cccc(C)c2)n(C)c1 29707679 XMEADTJZNFZHDU-UHFFFAOYSA-N 365.455 1.393 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)N[C@@H]1CCCN(c2ncccn2)C1 46424684 JBXUKKTUVJODPC-OAHLLOKOSA-N 354.410 1.576 0 40 FDAB c1cc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)cs1 107739654 GADBELFIJSVHHF-ROUUACIJSA-N 352.500 1.830 0 40 FDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 12542246 SUAUEFURIPIWDO-QGZVFWFLSA-N 356.401 1.884 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)OCC(=O)N2 48249317 AKPNVYDHIQLLMS-CYBMUJFWSA-N 354.362 1.930 0 40 FDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCn1cccn1 48300904 YKCKMQKTWJTUAV-INIZCTEOSA-N 357.393 1.307 0 40 FDAB O=C(CCn1ccc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 48326200 PZAFIQYSWHONRO-GOSISDBHSA-N 355.438 1.881 0 40 FDAB O=C1CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccccn1 67897145 ROHKXZBBUIVLSC-MSOLQXFVSA-N 359.376 1.972 0 40 FDAB biogenic,in-vitro Cc1sc2nc(SCC(=O)NC(=O)NC(C)C)n(C)c(=O)c2c1C 3526047 RPYHAWSUSHWSEB-UHFFFAOYSA-N 368.484 1.938 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1S(N)(=O)=O 20629552 YLKYPEQACDBGIM-UHFFFAOYSA-N 362.379 1.721 0 40 FDAB Cn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1=O 9366713 MJHXSGZPFJTGTC-UHFFFAOYSA-N 356.363 1.885 0 40 FDAB CCC[C@H]1NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365118 XZULMLNRPGSUKN-XJKSGUPXSA-N 374.441 1.571 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NCc1ccco1 6004361 VXWLGVYXQMVXRN-GFCCVEGCSA-N 365.407 1.853 0 40 FDAB COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccco2)c1C 5212613 YBAFVZYMXAUZDC-UHFFFAOYSA-N 362.382 1.500 0 40 FDAB COc1noc(COc2ccccc2OC[C@H](O)CNC(C)(C)C)n1 5353311 NXTODQHJOKDVFU-GFCCVEGCSA-N 351.403 1.785 0 40 FDAB investigational CCOC(=O)Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1 14801739 LMBGOCROPLCUMZ-UHFFFAOYSA-N 360.399 1.556 0 40 FDAB COc1ccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)cc1OC 15082458 RLMKZKNVHNUPES-UHFFFAOYSA-N 360.370 1.124 0 40 FDAB CCOC(=O)CN(C[P@](N)(=O)OC)S(=O)(=O)c1ccc(C)cc1 7089634 HGIDZDCRAKDELE-QFIPXVFZSA-N 364.360 1.305 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccn3)CC1)C2=O 7074704 PFJBRJDSKODWTN-DNVCBOLYSA-N 357.458 1.662 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 7069205 UZXDHCHYDOVTRS-VIFPVBQESA-N 367.383 1.326 0 40 FDAB Cc1ccc(OCCS[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15492218 PHHLIRHHYQDSNR-UONOGXRCSA-N 357.497 1.799 0 40 FDAB CCNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 7247761 LIYNKZXFJFQMJP-UHFFFAOYSA-N 369.447 1.956 0 40 FDAB CC[C@H](C)n1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 16611289 KKMQIOYPICZRAF-MGPLVRAMSA-N 354.410 1.930 0 40 FDAB biogenic C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1F 69343098 OSAZFYMQSCWNAC-CMPLNLGQSA-N 363.382 1.744 0 40 FDAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC[C@@H]1CCCO1 8756080 AGJAJXXAFMJPBD-AWEZNQCLSA-N 367.409 1.337 0 40 FDAB Cc1nn(Cc2ncoc2C(C)C)c(C)c1S(=O)(=O)N1CCOCC1 92310757 GDDCWZZBIBTGLQ-UHFFFAOYSA-N 368.459 1.681 0 40 FDAB COc1ccccc1CNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 9060165 PADJKCGRVQWTLD-UHFFFAOYSA-N 366.425 1.894 0 40 FDAB COc1ncccc1C(=O)N[C@H]1CCCc2cn(CC(=O)N(C)C)nc21 96002947 ZGCQXLYCGPRQMJ-AWEZNQCLSA-N 357.414 1.182 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)C1(n2cnnn2)CCCCC1 72401021 RVEQFNUUCGWXCG-UHFFFAOYSA-N 352.402 1.611 0 40 FDAB CS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 95943056 KFSADKJHDMVWTQ-INIZCTEOSA-N 364.467 1.392 0 40 FDAB CSC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 11867570 FWTHXKRKYNHQHH-GFCCVEGCSA-N 351.380 1.282 0 40 FDAB biogenic Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1 306134693 NVLNQFWTZNPZPZ-AWEZNQCLSA-N 367.413 1.744 0 40 FDAB C[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc2c(c1)OCO2 554375551 RHNRXDGVBOQSME-TZMCWYRMSA-N 355.460 1.337 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc2cccnc12 548532724 JSOXBGRAPBBHDZ-WFASDCNBSA-N 364.423 1.534 0 40 FDAB O=C(NCCCN1C(=O)CNC1=O)N1CCc2cc(Cl)ccc2C1 188748600 IZEMZXYRIBGUQM-UHFFFAOYSA-N 350.806 1.350 0 40 FDAB O=c1cc(CO)oc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O 71279950 PCUDTXMYUABERN-UHFFFAOYSA-N 350.802 1.813 0 40 FDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)N2CCCC2)C1=O 32841645 UCDHWJNCFKKVJG-CQSZACIVSA-N 359.426 1.319 0 40 FDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)c(OC)c2c1OCO2 35326578 IWLNIOIFSROZLH-LBPRGKRZSA-N 371.349 1.832 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218069900 FXSULYGGDBZGQW-KGLIPLIRSA-N 370.423 1.318 0 40 FDAB CCOC(=O)c1csc(NC(=O)c2cc(-n3cnnn3)ccc2F)n1 79487890 KHUFGXPIDGPUCW-UHFFFAOYSA-N 362.346 1.687 0 40 FDAB CN(C)C1(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)Cc2ccccc2C1 525033191 DKDWSPPXCJXWLZ-SFHVURJKSA-N 369.509 1.993 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3cnn(C)c3C)ccc21 72264780 VAGVQLGTVWSDNT-UHFFFAOYSA-N 350.400 1.135 0 40 FDAB COc1cccc(-c2c3c(=O)n(CCO)ccc3nc3nc(C)nn23)c1 40398492 DAKBQXNEZRAEAC-UHFFFAOYSA-N 351.366 1.416 0 40 FDAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC(c2nccs2)CC1 328786911 WXCDOZROILJHHL-UHFFFAOYSA-N 370.434 1.965 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 222322224 KOSWIMVJIVWSQI-GUYJKWIASA-N 364.195 1.645 0 40 FDAB O=C(NCCNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 42768189 GYGKKCWHSKBZTF-UHFFFAOYSA-N 373.844 1.890 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)cc1 140457544 DDKQILJENFJTMZ-NIANNCQZSA-N 358.354 1.300 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nnc([C@H]2CCCO2)s1 95476576 LHSKLKYMWDYBDD-GFCCVEGCSA-N 357.399 1.547 0 40 FDAB O=C(Cn1cnc2ccsc2c1=O)NCCCc1nnc2ccccn12 95475791 WXLQGDSPGHCOJQ-UHFFFAOYSA-N 368.422 1.250 0 40 FDAB CCS(=O)(=O)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 96218087 UHRKPEWKAGQROD-ZDUSSCGKSA-N 352.416 1.405 0 40 FDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1cccn1C)CC2 96199862 YNGRXXAQESQPRY-OAHLLOKOSA-N 355.442 1.379 0 40 FDAB CCCc1ncc(C(=O)N2CCC[C@@H](c3nn(C)cc3C(N)=O)C2)s1 583622055 IJXGMQMRNDWOQT-LLVKDONJSA-N 361.471 1.948 0 40 FDAB O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96207758 AYSAFAAEQCONLX-UMVBOHGHSA-N 355.398 1.457 0 40 FDAB COCc1nc([C@@H]2COCCN2C(=O)[C@@H]2CCCc3c(O)cccc32)no1 330012560 KTMDLDUBRNYZTR-CABCVRRESA-N 373.409 1.942 0 40 FDAB COC(=O)[C@@H]1OCC(=O)N1C1CCN(C(=O)OCc2ccccc2)CC1 95704913 QLMWGHDSAASCEM-INIZCTEOSA-N 362.382 1.146 0 40 FDAB O=C(c1ccncn1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96215682 DHHHKKAXHLXQIG-RDTXWAMCSA-N 354.414 1.533 0 40 FDAB Cc1cc(C)n2ncc(CN3CCO[C@@H](CCc4ccncn4)C3)c2n1 257225328 FFSXNINETBJZKK-SFHVURJKSA-N 352.442 1.970 0 40 FDAB COc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)c1 257317109 VILOEUBNRMDQEN-LJQANCHMSA-N 356.426 1.589 0 40 FDAB COCCOCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257277375 NXSQIDOFRSPPSM-SFHVURJKSA-N 362.470 1.936 0 40 FDAB CN1CCC[C@](C)(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260830686 GTYDTEPZLRMVBF-MRXNPFEDSA-N 370.496 1.933 0 40 FDAB C[C@H](NC(=O)C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C)c1ccccc1 96362886 FPFGVMRKZRXDOW-IFXJQAMLSA-N 367.449 1.706 0 40 FDAB CC(C)(NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1cccs1 608137147 SALAMJGVTQJLQT-YIKOMLBNSA-N 362.451 1.652 0 40 FDAB Cn1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)c(O)nc1=O 1640297180 XFOQUVHWPPEHNQ-UHFFFAOYSA-N 350.382 1.439 0 40 FDAB COc1nn(C)cc1NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644447324 VKKPAPXGLRSQDI-LJQANCHMSA-N 358.442 1.784 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2sc(C(=O)O)cc2c1 642184002 NNCQAIZNXPSYLD-LLVKDONJSA-N 368.436 1.962 0 40 FDAB CN(C)[C@@H](CNC(=O)CN1C(=O)COc2ccccc21)c1cccc(F)c1 27591309 RTAQTRXLVKZBLV-KRWDZBQOSA-N 371.412 1.970 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)no1 585095551 WQCVYKUSSJNWKS-AWEZNQCLSA-N 352.460 1.356 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)CSC2CCCC2)c1=O 85470702 ZAUPTCKTWKPXBF-UHFFFAOYSA-N 361.471 1.436 0 40 FDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCN2CCC[C@@H]2C)C1 97010698 OPOKTSWZVIYFFM-MAUKXSAKSA-N 372.469 1.785 0 40 FDAB Cc1ccc2nc(Cn3cnc4c(cnn4C(C)(C)C)c3=O)cc(=O)n2c1 675627529 KWNMSVLLJYDPCN-UHFFFAOYSA-N 364.409 1.713 0 40 FDAB COCCn1c(=O)n(CC(=O)N2CCc3ccccc32)c2cccnc21 12117576 MCMVOOLXNQSKLB-UHFFFAOYSA-N 352.394 1.434 0 40 FDAB C/C(Cl)=C/Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C 12378395 QRXRVWFDWJXAOS-WQLSENKSSA-N 365.865 1.957 0 40 FDAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)n(C)c(=O)c(=O)n2C 13364730 QZGGLEFQXJKATK-UHFFFAOYSA-N 369.377 1.507 0 40 FDAB c1ccc(OCC2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)nc1 19402249 IHRNCJSTVSIZSF-UHFFFAOYSA-N 369.469 1.999 0 40 FDAB CCCNC(=O)CN1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19503622 HBIVQNVTIHSPJN-UHFFFAOYSA-N 359.470 1.820 0 40 FDAB O=C(c1cccc2cccnc12)N1CCC(c2nnc3n2CCNC3)CC1 19711260 XKFPLDJIHDJPSJ-UHFFFAOYSA-N 362.437 1.949 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(S(=O)(=O)N4CCCCCC4)C[C@H]3C2)n1 1888864065 FRKJHKGCHGYFMP-HZPDHXFCSA-N 365.503 1.274 0 40 FDAB COCc1nsc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888869588 GPWRDLYMOLIPHY-CHWSQXEVSA-N 372.498 1.844 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)nc1 20374370 ILNLKOAPSDWDIL-UHFFFAOYSA-N 366.377 1.153 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 6259932 NAILXPLNWRQEDJ-JTQLQIEISA-N 361.261 1.738 0 40 FDAB CN(Cc1cnccn1)[C@@H]1CCC[C@H](Oc2cccc(C(=O)O)c2)[C@H]1O 2037795281 BEAZWDACBKGRBW-SQNIBIBYSA-N 357.410 1.968 0 40 FDAB O=C(CCc1cncnc1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545876 RIWNXAIGYWTRFA-UHFFFAOYSA-N 368.441 1.274 0 40 FDAB Cc1nnc([C@H]2CN(C)C(=O)[C@H]3CCN(C(=O)C4CC(C)C4)CC[C@H]32)o1 1565550082 OSQQKGNMPCKOAC-JKITYEGOSA-N 360.458 1.835 0 40 FDAB CCOC(=O)c1nnn(-c2nonc2N)c1CN(CC)c1ccccc1 1080831 YJTZGWYVYHDESV-UHFFFAOYSA-N 357.374 1.436 0 40 FDAB CCn1cc(C(=O)N2CCOCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661387 YVHQVYROWNKEFW-UHFFFAOYSA-N 352.394 1.631 0 40 FDAB CCc1cnc2c(c1SCCC1OCCCO1)c(=O)n(C)c(=O)n2C 10216642 NMQQJPLDYWPADJ-UHFFFAOYSA-N 365.455 1.440 0 40 FDAB COc1ccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)nn1 12440255 NDJNGPABSXWVKK-XVNBXDOJSA-N 368.393 1.576 0 40 FDAB O=C1CC[C@H](N2Cc3c(I)cccc3C2=O)C(=O)N1 1857524179 BKIUJJLYXXEGFT-JTQLQIEISA-N 370.146 1.052 0 40 FDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(C(=O)N4CCCC4)c3C2)nc1 2055739154 MKJZDHSCSVXFFV-ZDUSSCGKSA-N 354.410 1.901 0 40 FDAB Cc1nc(CN2CC3(CCN(C(=O)[C@@H]4CCOC4)CC3)CC2=O)cs1 2055796011 JTCDJGUTRCYGON-CQSZACIVSA-N 363.483 1.829 0 40 FDAB Cc1ccc(C(=O)N2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)nc1 2055745700 VIYXHROLHHBNKM-UHFFFAOYSA-N 370.457 1.299 0 40 FDAB CN(C1CCN(c2nccc(C(F)(F)F)n2)CC1)S(=O)(=O)C1CC1 2086886914 CLFHLELRZMRMKS-UHFFFAOYSA-N 364.393 1.888 0 40 FDAB COc1ccc([C@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 211089417 SVRBFMQYDLTZQN-XJKSGUPXSA-N 372.421 1.731 0 40 FDAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(Cl)nc2ccccn2c1=O 1464604 APTNDFJFRQDPMK-GFCCVEGCSA-N 362.773 1.491 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccccc2)cc1 85436531 KJIYHHHILCLTIL-MRXNPFEDSA-N 356.378 1.652 0 40 FDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31370803 FGBIBDDWEWLIAS-WBVHZDCISA-N 351.406 1.550 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC 100831807 QHNPHQAEOAAEGW-WBVHZDCISA-N 352.346 1.996 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1 54293779 CWVCJIZDDWUABJ-UHFFFAOYSA-N 351.409 1.767 0 40 FDAB O=C(CSc1ncnc2ccsc12)N1CCN(c2cnccn2)CC1 42603420 YSGOIBDRBUMRDE-UHFFFAOYSA-N 372.479 1.922 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1OC 54914606 XSFOHNUEYNNFME-LBPRGKRZSA-N 368.393 1.686 0 40 FDAB CS(=O)(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 106360026 MPDGJZRAXONSBA-ZJOBFFGXSA-N 364.467 1.909 0 40 FDAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1CC(=O)N(c2ccccn2)C1 79097199 JOTNENZJJGYLEA-IAGOWNOFSA-N 356.470 1.815 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)OC)ccc2F)CC1 26500890 IFSXGPXHPSJWTC-UHFFFAOYSA-N 372.418 1.613 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1Oc1ccccc1 58369216 QPTYRRAUJFPPMT-UHFFFAOYSA-N 374.462 1.826 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cnccn2)s1 12778329 SCJGTIZYROBUQW-UHFFFAOYSA-N 354.457 1.499 0 40 FDAB Cc1ccoc1C(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108528234 LKRZKLFJEJDHMI-CYBMUJFWSA-N 356.444 1.291 0 40 FDAB O=C(COC(=O)c1ccccc1NCCO)NCc1ccc2c(c1)OCO2 2652289 CRGBASLLTVYJTH-UHFFFAOYSA-N 372.377 1.293 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(C(=O)c2cccs2)CC1 12797510 SXXVCVPUXUDICR-UHFFFAOYSA-N 368.422 1.322 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1ccc(N(C)C)cc1 12510545 SASNBURZMBYSSY-UHFFFAOYSA-N 353.430 1.961 0 40 FDAB CCCc1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 12552252 PBYGVOVNBDOUOG-INIZCTEOSA-N 357.454 1.716 0 40 FDAB CCN(c1cc(OC)c(OC)cc1C(=O)NCC(C)C)S(C)(=O)=O 22251732 ZFBHAVMGPFNYJF-UHFFFAOYSA-N 358.460 1.876 0 40 FDAB CC[C@@H]1CCCCN1C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 12888020 QPMJLLUXSTWOCG-SNVBAGLBSA-N 359.348 1.757 0 40 FDAB CCOc1ccccc1-n1nnnc1SCC(=O)NCC(F)(F)F 3496794 RSOCUZXTZDEMBV-UHFFFAOYSA-N 361.349 1.832 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cn1 108527543 SGMZUDNTOJXJGT-ROUUACIJSA-N 353.426 1.296 0 40 FDAB Cn1c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 3596260 BRDBTHTYDMLLPA-UHFFFAOYSA-N 355.375 1.805 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5054947 CMVYIFGVTBMSDP-HNNXBMFYSA-N 364.745 1.648 0 40 FDAB CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(=O)c2cc3c(cc21)OCO3 13729881 ZFBMRQPMQOQNIX-UHFFFAOYSA-N 371.393 1.088 0 40 FDAB COc1ccccc1[C@H](C)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14068179 IBLWMWOPLCGZJI-LBPRGKRZSA-N 353.378 1.576 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 14164647 LWCPGYCSGZJSOB-SNVBAGLBSA-N 352.350 1.609 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 5517959 WOMQAWSSPBVQIQ-AWEZNQCLSA-N 367.352 1.775 0 40 FDAB O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@@H]1COc2ccccc2O1 6607939 JDPDTJUFWKYHOT-CYBMUJFWSA-N 365.389 1.812 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1-n1cncn1 6648596 QEKWUZXQUKQKGD-SNVBAGLBSA-N 368.850 1.649 0 40 FDAB CC(C)S(=O)(=O)[C@H](C)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95998004 NLWAOSFXYILNPS-CYBMUJFWSA-N 362.455 1.540 0 40 FDAB CCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 7219927 NPJHTXUOYMDIFR-UHFFFAOYSA-N 373.500 1.111 0 40 FDAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nc(N)cc(N)n1 7692756 UFNNHEUXXMGDHP-UHFFFAOYSA-N 367.862 1.924 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2N1 8312288 QHMHSLMDXNSOBD-UHFFFAOYSA-N 360.391 1.995 0 40 FDAB COc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1OC 9683104 ILVAVUBPZCPYAN-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB O=C1N=C(O)[C@@]2(Cc3cc4ccccc4nc3N3CCOC[C@@H]32)C(=O)N1 17112655 RHUSTDJKSMUREU-CYBMUJFWSA-N 352.350 1.189 0 40 FDAB C[C@H]1C[C@@H](C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 18141587 XXQCWQLDWWSACD-GASCZTMLSA-N 352.504 1.500 0 40 FDAB COc1ccccc1CNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059820 GLERFSOQVWADCD-AWEZNQCLSA-N 366.425 1.894 0 40 FDAB CN(C)C(=O)CNC(=O)COC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 9156511 NSZVIGWACQPZST-UHFFFAOYSA-N 364.789 1.091 0 40 FDAB O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCCc2ccccn2)C1 96004960 ORGXPBVNHMQJFA-QGZVFWFLSA-N 365.499 1.725 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 97601805 DDJUXVJSXKWFLT-IRXDYDNUSA-N 357.454 1.804 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 95430232 KUQFCOYDXHYSAR-RDJZCZTQSA-N 350.459 1.515 0 40 FDAB COc1cccc(CN2C[C@@H]3Cn4c(nn(CC(C)C)c(=O)c4=O)[C@H]3C2)c1 306142061 WOGKROWKGRUHHN-WBVHZDCISA-N 370.453 1.299 0 40 FDAB COc1ccc(-c2cn(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)cn2)cc1 504743723 XGJVYQIPWPLMFK-QGZVFWFLSA-N 359.382 1.144 0 40 FDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCc2cccnc2)C1 543711835 UWEJHBKTZACCNG-QGZVFWFLSA-N 359.451 1.806 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326661 FEYYPRTUYZOUDV-RBZFPXEDSA-N 371.437 1.575 0 40 FDAB Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc21 225065068 IPCABNSMILGMHI-JTQLQIEISA-N 369.468 1.210 0 40 FDAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)[C@@H](C)c1cccc(OC)c1 40122952 HDOAVCSOTVRVGC-KSSFIOAISA-N 368.499 1.772 0 40 FDAB COc1ccc(S(=O)(=O)NCCSc2nc(C)n[nH]2)cc1Cl 222979449 RVGYVVWBHHPITJ-UHFFFAOYSA-N 362.864 1.846 0 40 FDAB O=C(Cc1ccc(Br)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701604 WDGHPBNDINVYKU-GFCCVEGCSA-N 367.199 1.571 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1 96208406 DMEAYXMTUUFCFX-HNAYVOBHSA-N 355.442 1.763 0 40 FDAB COCCN1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96076281 BEIDYFDDLOYFJL-HXUWFJFHSA-N 372.469 1.535 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96037137 GCDIORXXBMKTKA-UHFFFAOYSA-N 367.471 1.463 0 40 FDAB Cn1cc([C@@H]2CC3(CCN(C(=O)c4ccc(F)cc4)CC3)NC2=O)cn1 96069614 OHRWTVLPVXSUAO-INIZCTEOSA-N 356.401 1.838 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 583623106 RNDDTFRPKWBAAK-CABCVRRESA-N 368.524 1.654 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@]3(CC(C(=O)NCc4ccco4)=NO3)C2)cn1 96225861 PRERTENLMLHZFV-GOSISDBHSA-N 369.381 1.055 0 40 FDAB COC(=O)c1sc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)nc1C 95478515 GIIACAJAJSKYRW-UHFFFAOYSA-N 372.406 1.895 0 40 FDAB O=C1NCCN(C(=O)C(F)(F)C2(O)CCCC2)[C@H]1c1ccccc1F 585081965 JWZPDXVFMZFMAF-ZDUSSCGKSA-N 356.344 1.766 0 40 FDAB Cn1cccc1C(=O)N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257206659 BEKLWZVHPWNTOZ-LBPRGKRZSA-N 350.444 1.247 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3-c3cncn3C)C2)cn1 257281530 OPQQPACZGUPGTI-AWEZNQCLSA-N 363.425 1.995 0 40 FDAB CNc1cc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)nc(C)n1 257325277 WSFYCCFERPQACN-OAHLLOKOSA-N 353.492 1.388 0 40 FDAB CC(C)n1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)n1 257249101 JGVJVFREZFAVND-YRXWBPOGSA-N 372.469 1.705 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1 257257604 KQJFWECOQOODCC-HXUWFJFHSA-N 363.502 1.608 0 40 FDAB C[C@H](C(=O)NCCCn1ccnc1)n1cc(COc2ccccc2)nn1 257173614 SICPSDNINDPTAD-OAHLLOKOSA-N 354.414 1.821 0 40 FDAB CCn1cc(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 631458530 RVHWCKJZQXWADJ-NVXWUHKLSA-N 354.454 1.970 0 40 FDAB O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cccc2ccoc12 643770549 MVMRVDJOJHVLBC-KFWWJZLASA-N 350.440 1.699 0 40 FDAB CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 1139799323 VKXQQKCPJNKIOX-KRWDZBQOSA-N 371.437 1.824 0 40 FDAB O=S(=O)(c1cncc(F)c1)N1CCC[C@H](c2nncn2C2CC2)C1 679852941 UFNSOYCEKKKOKL-NSHDSACASA-N 351.407 1.715 0 40 FDAB Cc1noc(Cl)c1CCC(=O)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775960016 NCKFAXPVQILIOC-CHWSQXEVSA-N 351.838 1.517 0 40 FDAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2nccn2CC)s1 1615553475 RZYHEMKCMWMQKT-GWCFXTLKSA-N 362.459 1.865 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)O)c(C(F)(F)F)n1 646035504 MSTZQLORDULWKY-MRVPVSSYSA-N 355.338 1.457 0 40 FDAB Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)no1 585098524 UMZISYFEQKJMPI-ZDUSSCGKSA-N 354.414 1.995 0 40 FDAB CC(C)Oc1ccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc1 685942999 PPLNPSYKGAQMIN-ZMSDIMECSA-N 358.442 1.887 0 40 FDAB CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)NCc2ccccc2F)C1 509802290 GCNPCWKFUKMRMI-CQSZACIVSA-N 374.420 1.319 0 40 FDAB CC(=O)N1CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CC1 42630031 NQHSIZFNAHHMDJ-UHFFFAOYSA-N 356.426 1.477 0 40 FDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1F 5103054 VAJNOUPEZLCNGA-NSHDSACASA-N 355.329 1.985 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ncc(C)s2)cc1 14094634 QHOUNEKVELEJNS-SNVBAGLBSA-N 367.452 1.960 0 40 FDAB CCN(CC)C(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19526212 UNCDZFAUMLGDAN-UHFFFAOYSA-N 359.470 1.854 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(CC(=O)Nc3cc(C)on3)CC2)cn1 19749187 QJDRDZATVZCMLE-AWEZNQCLSA-N 372.429 1.304 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1F 19933797 FHVUTNQANJKTQT-UHFFFAOYSA-N 366.418 1.150 0 40 FDAB CCOc1ccccc1S(=O)(=O)NC1CN(c2nnc(C)s2)C1 1888876006 NVVBOWOYBMEWRR-UHFFFAOYSA-N 354.457 1.412 0 40 FDAB O=C(Cc1cccnc1)N1CCC(COc2ccc3nccn3n2)CC1 1888879489 PGQDOVXRYWEMJJ-UHFFFAOYSA-N 351.410 1.984 0 40 FDAB Cc1nc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cs1 24468570 TWRGVBXCVMUJNR-UHFFFAOYSA-N 356.473 1.563 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 1565555633 FCLHPJVMBLYSJD-UHFFFAOYSA-N 366.368 1.246 0 40 FDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)C3CC(F)(F)C3)CC[C@@H]21 1565546411 APSYPIGTMWQIQS-SNPRPXQTSA-N 367.400 1.161 0 40 FDAB CCc1nnc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)s1 4317068 HXQYQWCMIKIRLI-UHFFFAOYSA-N 351.457 1.793 0 40 FDAB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)C(=O)NC1CC1 4518957 RTEOOQUFUIORHN-HNNXBMFYSA-N 362.407 1.189 0 40 FDAB CCCc1cnc2c(c1SCC(=O)OCC)c(=O)n(C)c(=O)n2C 10216830 DCPRTWUGSIKCPN-UHFFFAOYSA-N 351.428 1.240 0 40 FDAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CC2CC2)C1 2055746471 KIKMVGCXAKZAKP-IBGZPJMESA-N 363.433 1.771 0 40 FDAB Cc1csc(C(=O)N2CCCn3nnc(C(=O)NC4CCC4)c3C2)c1 2055844899 OMGJKZCMPXWNOU-UHFFFAOYSA-N 359.455 1.976 0 40 FDAB COc1cccc(N2C[C@@]3(COCCN(C(=O)C4CC4)C3)OCC2=O)c1 2055803593 OJQCPWOFGCTLHJ-IBGZPJMESA-N 360.410 1.066 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(Cc5nc(C)no5)C[C@H]4C3)ncnc21 2086865046 CYOSCPWGMVTWNK-STQMWFEESA-N 354.418 1.106 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2ccc(Cl)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4043664 ZWTDRTNLJKBYAO-OXGONZEZSA-N 371.817 1.461 0 40 FDAB biogenic CC/C(N[C@@H]1CCCC[C@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20267179 MBHCWENHJMABNB-DVHDIFOTSA-N 362.474 1.921 0 40 FDAB C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@@H](C)O1 21540449 MOXUVVLEHWCXIS-GHMZBOCLSA-N 351.472 1.774 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21895841 WZPMABPBEXXAHW-ZDUSSCGKSA-N 353.378 1.522 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)Cc2cccs2)c1=O 33205344 CMFNIOAEUXPWDW-CYBMUJFWSA-N 371.462 1.992 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Cn2cncn2)cc1 23149616 ILTOWXMJVHACHQ-UHFFFAOYSA-N 360.377 1.675 0 40 FDAB O=C(NCCCn1ccnc1)NCCS(=O)(=O)c1ccc(Cl)cc1 54506464 BJIZODRGPJZPDH-UHFFFAOYSA-N 370.862 1.700 0 40 FDAB CCN(C(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 24243769 CFFDZMJZZXGZQM-INIZCTEOSA-N 358.486 1.324 0 40 FDAB CCn1cc(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)C(C)C)cc2)c1=O 10853936 QGAGBADLDKHNBP-UHFFFAOYSA-N 368.393 1.379 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)c1C 36610990 IPWQDZFAQSTVOJ-SJORKVTESA-N 360.458 1.523 0 40 FDAB CCOc1ccc(C(=O)NC2CCN(C(=S)NCCOC)CC2)cc1 4888591 WDXFJHKKRDEIQR-UHFFFAOYSA-N 365.499 1.800 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 32826219 VXWZPOHALWDPQG-AWEZNQCLSA-N 353.375 1.328 0 40 FDAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c1 9926466 RGXRRUGBAPKTMG-CQSZACIVSA-N 364.365 1.871 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 2655518 WNXYNHUPOAGPBA-UHFFFAOYSA-N 354.395 1.492 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)no1 2647400 JXJRLOOBGUVBFN-GOSISDBHSA-N 356.382 1.865 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 58173649 NSDSXOLMZWNVQA-UHFFFAOYSA-N 363.483 1.832 0 40 FDAB O=C1CSc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2N1 46714187 MITCCOGWEHQULP-UHFFFAOYSA-N 366.406 1.637 0 40 FDAB CNC(=O)NC(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 22800486 IRIJBBVEEGDDPN-UHFFFAOYSA-N 358.364 1.279 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)CCSCC(N)=O)c(OC)c1 23098194 RLUPGURDDKEMCO-CQSZACIVSA-N 352.456 1.976 0 40 FDAB Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1Sc1n[nH]c(=O)[nH]c1=O 938933 ZRPYCYDHNFSJHQ-UHFFFAOYSA-N 351.775 1.050 0 40 FDAB CCOC(=O)N1CCN(Cc2nc(=O)c3oc4ccccc4c3[nH]2)CC1 23698714 ZXSGWVOEKPPFRF-UHFFFAOYSA-N 356.382 1.943 0 40 FDAB Cc1ccccc1CCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051520 NTLUAWKPCMZJJU-UHFFFAOYSA-N 353.465 1.920 0 40 FDAB Cc1ccccc1NC(=O)C[C@H]1N=C(NC(=N)Nc2ccccc2)NC1=O 20799039 AVKPXSXYRIQTLV-OAHLLOKOSA-N 364.409 1.814 0 40 FDAB Cc1nn([C@@H](C)C(=O)N[C@H](C)CN2CCOCC2)cc1Br 22276791 CISMAEPXBRHKCE-PWSUYJOCSA-N 359.268 1.352 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1 23435470 JZYAJOKMXBAOKK-MRXNPFEDSA-N 366.464 1.764 0 40 FDAB COc1ncnc(OC)c1[C@H]1NC(=S)NC(C)=C1C(=O)OCC(C)C 57531515 XWUHSUNHNSSVPZ-LBPRGKRZSA-N 366.443 1.486 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 58214969 PXXAIFRGJRHSFD-UHFFFAOYSA-N 352.460 1.396 0 40 FDAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)OCC(=O)N3)CCN1 58459705 CFYFLKCEOIAINA-INIZCTEOSA-N 365.389 1.721 0 40 FDAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(O)ccc3OC(=O)[C@@H]21 12661467 NWVNEIDOXFMQFU-KHQFGBGNSA-N 351.361 1.368 0 40 FDAB biogenic Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306126617 FAHXPXNLYWXUBH-ZDUSSCGKSA-N 353.386 1.040 0 40 FDAB COC(=O)c1c(NC(=O)Cn2nnc3ccccc3c2=O)sc(C)c1C 7888241 MHEKQRRGHLKKIJ-UHFFFAOYSA-N 372.406 1.895 0 40 FDAB COc1ccccc1N1CCN(C(=O)CSc2nnnn2C2CC2)CC1 8025411 HUENPNLKEYGRNB-UHFFFAOYSA-N 374.470 1.458 0 40 FDAB C[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2C(=O)O1 4384778 DHCXGYRPQMKBHD-QGZVFWFLSA-N 360.391 1.444 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(C)=O)C(=O)NCc2ccccc2)cc1 5726210 KONQZYMOJWBQAD-KRWDZBQOSA-N 355.394 1.455 0 40 FDAB C[C@@H]1Cc2ccccc2N1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6832007 BTEJBEHWIVZSAH-CYBMUJFWSA-N 356.426 1.724 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)Nc2cccc(F)c2)c(=O)c1=O 67256418 DBQXUXOKFJUYGG-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NC1CC1 19079972 HXIAEQAEXOQWBW-LBPRGKRZSA-N 354.457 1.273 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 9184362 YXXDMSFDKVXIHG-PSFFPDNBSA-N 351.362 1.908 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 9614681 FETWLLVYPLZWLD-GFCCVEGCSA-N 365.455 1.454 0 40 FDAB C[C@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1 72293078 QKRIOGVCWSFICW-HNAYVOBHSA-N 369.506 1.908 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCc2cncnc2C1 95396051 RCFJSXRJZQBWGX-QGZVFWFLSA-N 367.388 1.279 0 40 FDAB COc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73334503 JHBHQFUZSMRXLO-NVXWUHKLSA-N 359.470 1.769 0 40 FDAB NC(=O)c1cnc(N2CCN(C(=O)c3cccc4ccccc34)CC2)cn1 95941108 LEEVBAOBAQTWMD-UHFFFAOYSA-N 361.405 1.691 0 40 FDAB COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)N1C 22922487 NTMLLGDVOMOKMH-JZXOWHBKSA-N 363.433 1.152 0 40 FDAB biogenic,in-vitro CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccco3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 3851474 OBTBBJPBCHWTRO-OKWIKPQFSA-N 353.371 1.406 0 40 FDAB biogenic O=C1C[C@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N2N=CNC2=N1 38200292 NWTNPJUSWYZVDG-MRXNPFEDSA-N 363.377 1.880 0 40 FDAB Cn1cccc1CCNC(=O)N1CCC(C(=O)NCc2ccccn2)CC1 534655494 MQQDFMVAKMZNIX-UHFFFAOYSA-N 369.469 1.701 0 40 FDAB COC(=O)c1ccc(C)c(NCCOc2ccc(S(N)(=O)=O)cc2)c1 32851008 XDEHYCAIECKXNG-UHFFFAOYSA-N 364.423 1.920 0 40 FDAB NC(=O)C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 32196950 ZEFAVBBUQUKBJB-UHFFFAOYSA-N 352.818 1.768 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72378081 VSQHYTMROZMIAO-CYBMUJFWSA-N 350.386 1.721 0 40 FDAB Cn1c(=O)[nH]cc(CC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1=O 71776331 KIGRYAFIJXBTSM-UHFFFAOYSA-N 366.421 1.293 0 40 FDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1c(F)cccc1F 224359045 UQBYJEJAGRHVJZ-UHFFFAOYSA-N 363.368 1.910 0 40 FDAB COc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 223305029 IIKRKONEBUIVSD-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB Cc1cc(N(C)C)nc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)n1 224191731 QQOZJVUEZPSHNN-UHFFFAOYSA-N 352.402 1.065 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c1 224191021 USEUYTRWDUYLQN-UHFFFAOYSA-N 366.443 1.347 0 40 FDAB CCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1C(=O)O 325430583 ZLRDPRLYKNKZSS-UHFFFAOYSA-N 350.396 1.829 0 40 FDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC(Cc2ncc[nH]2)CC1 329185956 PRSGIPAIOSPLQO-UHFFFAOYSA-N 354.458 1.897 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccoc3)CC2)C1 47088786 OFJQFXHJPSGCPL-HZPDHXFCSA-N 362.474 1.611 0 40 FDAB COC[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3F)CC2)CN1C 96207559 XIWPHPDTKROMFX-CQSZACIVSA-N 356.463 1.947 0 40 FDAB CCN(CC)C[C@H]1CC[C@]2(COCCN(C(=O)c3cscn3)C2)O1 96160241 KDZXKBWGDJCZKN-PBHICJAKSA-N 353.488 1.875 0 40 FDAB CN1C[C@@H](C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)CC1=O 238955428 XWGPGSYSYHZZIH-LBPRGKRZSA-N 373.482 1.702 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccsc1)C2 96050415 CPVNXPSXXWZJML-SFHVURJKSA-N 373.482 1.321 0 40 FDAB Cc1csc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)n1 96110146 ORMOTYNRUWQCGT-IAQYHMDHSA-N 357.426 1.814 0 40 FDAB CCOc1ncccc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257259489 KYQCFLYZBFEOME-LJQANCHMSA-N 356.426 1.589 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2C 257213482 CHTCOGIDXOHVMT-LJQANCHMSA-N 368.441 1.231 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@H](c3nccnc3-c3cncn3C)C2)n1 257220550 DLEXDQNVJURUSF-ZDUSSCGKSA-N 351.414 1.630 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2cncc(Cc3cccc(F)c3)c2)CCO1 257302056 SBEWZQDSGZDRSC-LJQANCHMSA-N 357.385 1.528 0 40 FDAB COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1OC 262775735 BPZHDXIKGJREDO-JTQLQIEISA-N 363.819 1.985 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N2CCOCC3(CCC3)C2)[C@H]1c1nccn1CC 1615546859 IEPQEQFFBWMPNF-RDJZCZTQSA-N 374.485 1.842 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C3CC3)cc2)C1 643696589 WYKXPACJUIUJRR-QGZVFWFLSA-N 352.456 1.216 0 40 FDAB C=CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1262555349 PJENOOTWDRSJQF-UHFFFAOYSA-N 359.245 1.468 0 40 FDAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccs3)C2)cc1 96121896 BWXJPJBXESXORG-UHFFFAOYSA-N 373.477 1.604 0 40 FDAB O=S(=O)(N1CC2(C[C@H](Oc3ccccn3)CS2)C1)C(F)(F)F 575402557 CIQNGZOFQWZAOV-VIFPVBQESA-N 354.375 1.870 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@@H]21 585109224 DBQSXICTKMEQST-WSTZPKSXSA-N 365.433 1.556 0 40 FDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106061 IOFQAVUDJJTTSF-MSOLQXFVSA-N 370.497 1.780 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108561 GIUABICLIHGQFX-UWVAXJGDSA-N 369.421 1.219 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21 585112197 MVTCIYQTAXCNGJ-GOSISDBHSA-N 362.499 1.996 0 40 FDAB CC1CCC(CN2CCC[C@@]3(C2)CN(CCS(C)(=O)=O)C3=O)CC1 585099286 BHROTDJOYKAAFY-LEOMRAHMSA-N 356.532 1.782 0 40 FDAB c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1 675720012 MDACWHDEBPUKIR-UHFFFAOYSA-N 353.470 1.678 0 40 FDAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nc1 678397299 SPHOIBBDPUJIAW-UHFFFAOYSA-N 366.468 1.560 0 40 FDAB CC1(C)NC(=O)N(CCCN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1=O 679655911 NFJMGEPORRNHNF-FQEVSTJZSA-N 369.421 1.350 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615907486 PXXNBDPGVVGGQN-LJQANCHMSA-N 372.400 1.597 0 40 FDAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 5681168 GDGJPBJFYWFMJZ-UHFFFAOYSA-N 370.427 1.949 0 40 FDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)Cc4cccs4)C3)c2n1 12085033 VRGVBUGQYZCGKI-GFCCVEGCSA-N 372.454 1.778 0 40 FDAB COc1ccc(OCCOC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 12909653 LVTPIRUOMVOFFQ-COXVUDFISA-N 373.405 1.957 0 40 FDAB Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)O)CC3)nn2)cc1 13363242 SSOCZTAHUJOGBU-UHFFFAOYSA-N 361.423 1.919 0 40 FDAB CCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 13521841 SOURQIMMUQNQAX-UHFFFAOYSA-N 361.379 1.416 0 40 FDAB O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)CCCN1CCCC1=O)C2 19375191 WWPVLUCGICOJGT-NRFANRHFSA-N 369.465 1.736 0 40 FDAB COc1cc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)ccn1 19550291 HEYCOYNBPXVPAO-FQEVSTJZSA-N 367.405 1.887 0 40 FDAB Cc1nn(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556478 NXAIWQZWERIZFT-QGZVFWFLSA-N 354.458 1.608 0 40 FDAB CC(=O)N[C@@]12CCNC[C@@H]1CN(Cc1nc3ccccc3n1C(C)C)C2 19713240 AXCLGBJFNKROTQ-OXQOHEQNSA-N 355.486 1.917 0 40 FDAB CC(C)c1nc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)cn1C 575608124 QOSUACFCUOPCIZ-OAHLLOKOSA-N 370.519 1.323 0 40 FDAB CCc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(C2CC2)n1 1888899250 YBMMVELAXPTALL-UHFFFAOYSA-N 364.457 1.920 0 40 FDAB C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)NC(=O)NC(C)(C)C 28893436 MCDBHASOCUXXMI-OAHLLOKOSA-N 368.522 1.624 0 40 FDAB OC[C@H](CNc1nc(N2CCCC2)nc(N2CCCC2)n1)Cc1ccco1 29965965 SBWSIZWSXQKYEY-HNNXBMFYSA-N 372.473 1.928 0 40 FDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(=O)CCc2cncnc2)C1)N1CCCC1 1565549148 MJAQTKFAQJQZRA-BRWVUGGUSA-N 358.442 1.038 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1565544860 TYKXKIOFJLNUPM-VQFNDLOPSA-N 355.438 1.458 0 40 FDAB CC(C)NC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518952 NGFPXDNJSKCLHE-HNNXBMFYSA-N 364.423 1.435 0 40 FDAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 4585938 DRXUWOCPGPOXAA-UHFFFAOYSA-N 368.422 1.987 0 40 FDAB Cc1cccc(CC(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)c1 19234609 WMFLRPNXZXVZDC-INIZCTEOSA-N 364.453 1.652 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(-c2ccco2)nn1CCO 42384687 XBTXLROKJMNMDW-UHFFFAOYSA-N 368.349 1.682 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccno3)C2)n(-c2cccnc2)n1 2332241529 DBNMBEYJTLMASO-NWANDNLSSA-N 368.397 1.386 0 40 FDAB Cc1cc(C)c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 40095771 QTSZTARVYICHHT-UHFFFAOYSA-N 354.476 1.568 0 40 FDAB Cc1nc(C)c(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(=O)[nH]1 40154868 KNCXWYWHTQOOOC-VXGBXAGGSA-N 371.441 1.577 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)NCC2(c3ccccc3)CC2)=NN1c1ccccc1 30621126 BCGYPVBXTYVPER-SFHVURJKSA-N 362.433 1.955 0 40 FDAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccn(C)n1 24472684 MPNSIDILMLOFKL-ZDUSSCGKSA-N 368.484 1.459 0 40 FDAB Cc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 55387404 JZDKQGONYKAJKD-DLBZAZTESA-N 350.484 1.774 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3nnc4n3CCC4)C2)cc1 25091576 PQWVDPSHCGRPJO-MRXNPFEDSA-N 367.453 1.701 0 40 FDAB COCCN(CCOC)C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 79068799 VOJBKHLDXSWFNE-CYBMUJFWSA-N 361.435 1.357 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 26396288 HHSYVNNKWCJJSM-CYBMUJFWSA-N 367.496 1.568 0 40 FDAB COC(=O)Cc1ccccc1CN1CCC(NC(=O)C2CCOCC2)CC1 89400976 PNSYLVROLURJML-UHFFFAOYSA-N 374.481 1.909 0 40 FDAB NC(=O)[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 58215384 SLLSDTYYFGAZNN-INIZCTEOSA-N 356.407 1.377 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)co1 89392324 WWNGMTRNZSQWPA-UHFFFAOYSA-N 363.395 1.567 0 40 FDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1 2396027 ZXUDPQMDQRLTFM-LBPRGKRZSA-N 360.476 1.956 0 40 FDAB CCN(CC)CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57279946 VOBOZPLCVJXZKR-UHFFFAOYSA-N 353.488 1.927 0 40 FDAB Cc1c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cnn1C 11838179 NVQNUZJEJBEIDN-UHFFFAOYSA-N 364.471 1.486 0 40 FDAB CCOc1ccc(NCC(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 29936925 YZRYLQYKFAYMKM-UHFFFAOYSA-N 367.471 1.560 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cnn1C 2732181 PMTCRQLWCIIUMI-CYBMUJFWSA-N 354.476 1.188 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COc1nnc3ccccn13)CC2 12749700 JHGADOKLHSOHSS-UHFFFAOYSA-N 368.393 1.710 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCC[C@@H](C)CO)cc(C3CC3)nc21 95444077 NLFRGXDSUJOEPH-LLVKDONJSA-N 374.441 1.121 0 40 FDAB O=S1(=O)CC[C@H](NS(=O)(=O)CCCCC(Cl)(Cl)Cl)C1 4070213 RKIQJPTXBCZATJ-QMMMGPOBSA-N 372.723 1.633 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 6219409 CCSCREUXMHHQQJ-MRXNPFEDSA-N 356.426 1.793 0 40 FDAB CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1cccn1C 4564443 YVMCLUINQACPJZ-UHFFFAOYSA-N 357.410 1.841 0 40 FDAB CCOc1ccc2nc(SCC(=O)N3CCN(C(C)=O)CC3)[nH]c2c1 5667661 YMNOVCSMFZSPRW-UHFFFAOYSA-N 362.455 1.744 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 9950011 CWQWMXQBBLNBDN-UHFFFAOYSA-N 370.453 1.720 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 8089137 XVBNOZJTVYHJFT-UHFFFAOYSA-N 360.435 1.984 0 40 FDAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1 8119021 DTLGSGQSPIWGOX-INIZCTEOSA-N 365.499 1.394 0 40 FDAB CNC(=O)CN1C(=O)NC(c2ccc(C)cc2)(c2ccc(C)cc2)C1=O 8187989 VKIUCFVLKRCQDC-UHFFFAOYSA-N 351.406 1.845 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCCCC1 69453714 DATYQPBUYSTTOT-QGZVFWFLSA-N 372.469 1.947 0 40 FDAB COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1OC 8428235 YOJFXILRYAAURA-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)cc2)C1=O 409130470 HZRQALGGFJKUJK-UKTHLTGXSA-N 351.380 1.921 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(Cc3scnc3C)CC2)cc1 179538847 FGAGJDGDBYJGKW-UHFFFAOYSA-N 367.496 1.967 0 40 FDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2OC)CC1 306135249 OLPZSOCBHPRBFM-UHFFFAOYSA-N 370.457 1.270 0 40 FDAB Cc1ccc(C(=O)COC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 21921041 AFYXKNDVDRRFIP-UHFFFAOYSA-N 354.366 1.255 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)[C@H]1C(=O)O 71288056 PHLDSHOBEHZFLK-OLZOCXBDSA-N 352.412 1.304 0 40 FDAB COCCNS(=O)(=O)c1cc(I)ccc1OC 72414623 XIUWEGGVZBEDIA-UHFFFAOYSA-N 371.196 1.225 0 40 FDAB C[C@H](C[S@@](C)=O)N(C)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 96012191 YFZGDHPWTDEBAI-ICBMNTSNSA-N 357.520 1.576 0 40 FDAB Cn1c(=O)c2c(nc(NN)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 62720513 UTZFEYULKBWSQP-UHFFFAOYSA-N 369.212 1.074 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 306130929 JSULYVOMSGLIJR-HOCLYGCPSA-N 365.451 1.042 0 40 FDAB COCCc1noc(CC2CCN(c3ncnc4onc(C)c34)CC2)n1 528120674 UEUDLXCDPFVMOJ-UHFFFAOYSA-N 358.402 1.957 0 40 FDAB CC(C)OCCOC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 42367987 FKDILOULPPWDIQ-UHFFFAOYSA-N 354.428 1.474 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2c(OC)cccc2OC)c1 223894064 OAEFATMVSIYBBZ-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NC[C@H]1CC(=O)N(c3ccccc3)C1)C2 225522736 GVPVUZCOHOAQTE-HUUCEWRRSA-N 352.438 1.992 0 40 FDAB COc1ccc(-n2nc(C(=O)NCc3cccnc3)c(=O)cc2OC)cc1 49407598 FPEGGQLVPYQZFE-UHFFFAOYSA-N 366.377 1.575 0 40 FDAB Cn1cc(S(=O)(=O)Nc2cc(NC(N)=O)ccc2Cl)cc1C(N)=O 48301997 UCRICDSOURNVRD-UHFFFAOYSA-N 371.806 1.069 0 40 FDAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 576700330 CAVSZMWJEYXIAR-LLVKDONJSA-N 370.818 1.656 0 40 FDAB Cc1ccccc1C(=O)N1CC[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1 96249828 WESSRJHMQIWYKR-GDBMZVCRSA-N 352.456 1.118 0 40 FDAB CN1CCCN(Cc2nc(Cn3cncn3)nn2Cc2ccccc2)CC1 95529700 XQOQYODFYZCELK-UHFFFAOYSA-N 366.473 1.104 0 40 FDAB CN(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)cc1 96230202 DPQCVAAFNXHHTF-UHFFFAOYSA-N 370.497 1.569 0 40 FDAB CN(C)C(=O)N1CCC2(CC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 96051678 VCWCPSYLHUBABA-HNNXBMFYSA-N 351.472 1.891 0 40 FDAB COC(=O)CCNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 95480500 MQGOORCKZSZPED-UHFFFAOYSA-N 371.437 1.882 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)C=C[C@@H]4[C@H](C2)N(C=O)CC[C@]341 96316341 GKBIDJHSEALBDH-RUTGWLNGSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro COCCNC(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247881820 QDPUGBAUSHSGID-INIZCTEOSA-N 372.425 1.321 0 40 FDAB O=C(c1cnccn1)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247805249 ALNWKGQWSSVZSR-CQSZACIVSA-N 355.398 1.357 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cncs1 257272861 NEDUCTAIEXEDHW-INIZCTEOSA-N 350.419 1.781 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)s1 257224696 FCXPVWIXTKERSB-KBPBESRZSA-N 350.440 1.287 0 40 FDAB CC(C)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H]1C(N)=O 257221981 DRJVDZWSZMSZTL-SFHVURJKSA-N 356.470 1.897 0 40 FDAB Cc1nc2ccccc2n1CC(=O)Nc1cccc(C(=O)NC(N)=O)c1 619824686 ZRMGWRPVJTUFSZ-UHFFFAOYSA-N 351.366 1.792 0 40 FDAB Cc1noc([C@H]2CN(Cc3cn(Cc4cccnc4)nn3)C[C@@H](C)O2)n1 628445170 NAMAXEMDTJILBV-MLGOLLRUSA-N 355.402 1.375 0 40 FDAB Cc1noc(COC2CN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)C2)n1 644206071 KLSMPESGVZQIQY-KXBFYZLASA-N 355.394 1.846 0 40 FDAB CCOCC1(C(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3CC3)C2)CC1 1775962897 TWXVZJVVBRCCHW-HZPDHXFCSA-N 374.485 1.305 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](OC(F)F)C2)c(F)c1 1615000856 XSQLEDQEWDFCSP-IUCAKERBSA-N 353.318 1.963 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 96122691 FERRTWGTRDVYCV-UHFFFAOYSA-N 361.423 1.591 0 40 FDAB CCNC(=O)COc1cccc(NC(=O)N2CCC(C)(C(=O)O)CC2)c1 647691866 ZDPLPJRMVNAWLA-UHFFFAOYSA-N 363.414 1.920 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3cscn3)C2)cn1 585111977 GHXIHJJBZDXMOS-AWEZNQCLSA-N 371.470 1.450 0 40 FDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3cccs3)C2)OC1)C1CC1 585103482 BIXRKBSOSVHNPT-CYBMUJFWSA-N 356.513 1.811 0 40 FDAB O[C@H]1[C@H](NCCCc2ccccc2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952845028 ZERKZZVJKCIMJE-HSFUPAIVSA-N 363.845 1.785 0 40 FDAB biogenic,in-vitro O=C(N1CCOCC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001656 FGMBLXPFWZVTMT-UHFFFAOYSA-N 356.426 1.561 0 40 FDAB CN(C)C(=O)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1 57278108 RUHKNQGAMQXAMG-OAHLLOKOSA-N 367.405 1.967 0 40 FDAB O=C(CCc1nc(-c2ccco2)no1)N1CCC(CN2CCOCC2)CC1 77745358 RFMSMTSZYBGIBU-UHFFFAOYSA-N 374.441 1.833 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)c1ccc(F)c(C(F)(F)F)c1 61597329 HCQLNWNYYDBBTD-UHFFFAOYSA-N 354.325 1.610 0 40 FDAB COc1ccc(-c2nc(CNS(=O)(=O)N3CCC[C@@H](C)C3)n[nH]2)cc1 84697581 BNXQJHMAFQNXPL-GFCCVEGCSA-N 365.459 1.547 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@@H](C)O1 42697331 DTKYHDPAXXOXOH-HUUCEWRRSA-N 357.458 1.885 0 40 FDAB C=CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(C)=O)nn3c(O)c2C1 19017258 PGMLQFLBENDDMY-MRXNPFEDSA-N 369.425 1.579 0 40 FDAB Cc1nc(C)c(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)o1 19559400 UZHPUTZOTVKBRZ-UHFFFAOYSA-N 357.414 1.553 0 40 FDAB CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1 19699482 OFIZHQSYEZHDMZ-UHFFFAOYSA-N 350.463 1.040 0 40 FDAB Cc1cnc2c(C(=O)N3CCC(CC(=O)NCC4CC4)CC3)cnn2c1 19748421 STMITJYEEAJHBR-UHFFFAOYSA-N 355.442 1.806 0 40 FDAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 155072673 QHYYFNHUSLHQBJ-RRQGHBQHSA-N 358.438 1.957 0 40 FDAB Cn1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)nc2ccccc21 1888854698 ROEFCROHCYTSIN-HZPDHXFCSA-N 354.454 1.895 0 40 FDAB Cc1ccc(N2CC(N(C)C(=O)c3cc(-c4cccnc4)on3)C2)nn1 1888882069 UQUGOYBQHWCQIU-UHFFFAOYSA-N 350.382 1.796 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)nn1 1889119480 WANMTAXSQQGZEA-ZWNOBZJWSA-N 366.347 1.580 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cn1 253472942 QRVFGMDTYGBQQA-CQSZACIVSA-N 353.425 1.289 0 40 FDAB CCOc1ccc(OCC(=O)OCn2c(SC)nnc(C)c2=O)cc1 4495814 NCSOXGGJANZELG-UHFFFAOYSA-N 365.411 1.647 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1ccnnc1 2055745958 VKBWBNQPTNKBOD-ZDUSSCGKSA-N 355.398 1.424 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccncn2)C1 2055750910 LGFZZGUGWCHLMB-IBGZPJMESA-N 353.426 1.652 0 40 FDAB O=C([C@H]1CN(CC(=O)N2CCCc3ccccc32)CCO1)N1CCCCC1 2086864813 KSSQFYDPOBRLTQ-LJQANCHMSA-N 371.481 1.679 0 40 FDAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1cccnc1 618254735 FJIKPRKNVYPGJW-OAHLLOKOSA-N 350.421 1.951 0 40 FDAB CCc1cnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)nc1 2298041224 SZGLYMYHUFDJFD-UHFFFAOYSA-N 371.363 1.834 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN([C@H]4CCCC[C@H]4O)CC3)nn2)n1 2298179368 ZFIOFGVGXXEUAO-DLBZAZTESA-N 356.474 1.705 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 1471238 HQQKNWUMSISPEN-AWEZNQCLSA-N 372.377 1.568 0 40 FDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3cccc(Cl)c3)nn2c1=O 9329508 XKJOHCXYVCRPOJ-UHFFFAOYSA-N 361.789 1.707 0 40 FDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 40005745 HSFINWVTWIMDFS-UHFFFAOYSA-N 365.455 1.103 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccnc(N2CCCC2)c1 40049924 LVLNWYCZPCGXNO-UHFFFAOYSA-N 374.466 1.568 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)n1 40156435 WUKNSLMNBJERQH-LLVKDONJSA-N 365.415 1.437 0 40 FDAB Cc1cccc(CN2CCN(C(=O)COC(=O)c3cnn(C)c3C)CC2)c1 31185448 WHSYDLAUNKVMOP-UHFFFAOYSA-N 370.453 1.538 0 40 FDAB CCCn1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757338 UKJBYTIOYPHQJA-INIZCTEOSA-N 354.410 1.711 0 40 FDAB biogenic CN(C)CCNc1c(NC2CCN(Cc3ccccc3)CC2)c(=O)c1=O 101691614 KDLGNAPEOFNOSQ-UHFFFAOYSA-N 356.470 1.333 0 40 FDAB O=C(NC1CCCC1)[C@H](CS(=O)(=O)c1ccccc1)N1CCOCC1 32913265 LWLVKDFXBBSARN-KRWDZBQOSA-N 366.483 1.220 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 103091191 RMJHBUWPIYMKOZ-SNEKZUEESA-N 358.438 1.895 0 40 FDAB NS(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1 23731097 SKQUPPWOORKLMT-UHFFFAOYSA-N 352.847 1.709 0 40 FDAB Cc1ccn2c(=O)cc(COC(=O)c3cnc4c(c3)c(C)nn4C)nc2c1 24149141 TUGFXKZSKKKAGM-UHFFFAOYSA-N 363.377 1.950 0 40 FDAB O=C(O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 32686 IUCPNJCAPZVNJW-UHFFFAOYSA-N 355.441 1.861 0 40 FDAB CCCC[C@@H]1C[C@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O 2345986 GZQIUADRVOTUNV-BDJLRTHQSA-N 354.428 1.785 0 40 FDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 4375549 OIOPYFCJWKFUPC-OAHLLOKOSA-N 354.472 1.603 0 40 FDAB COCCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccc(C)c1 4444659 RHCYVHCQBFZYPZ-NSHDSACASA-N 363.443 1.575 0 40 FDAB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 6326321 UYJSOPHBCSUGDZ-MRXNPFEDSA-N 365.426 1.488 0 40 FDAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1 58110489 DPDLHMWUAQOJBD-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 58054760 YUQHPBBKFCNOBO-UHFFFAOYSA-N 352.387 1.776 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)no1 101452322 FZVHAHMWMSEPNE-PXMRGAAZSA-N 355.350 1.179 0 40 FDAB Cc1cc(O[C@H](C)C(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2129590 BALLDRSEUITJHT-LLVKDONJSA-N 359.378 1.948 0 40 FDAB biogenic CN(C)C(=O)c1cccc(CSc2nnc(N3CCOCC3)n2C)c1 58203523 LLOIEZHBOXCCFU-UHFFFAOYSA-N 361.471 1.646 0 40 FDAB COCCn1nc(C)c(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)c1C 58214460 BFFXKONUSMGRJE-GOSISDBHSA-N 356.426 1.956 0 40 FDAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCCC1 10666506 RQDDGSBMEKYNKY-UHFFFAOYSA-N 358.410 1.988 0 40 FDAB O=C(Cn1ccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 29594351 OQTRPHLKVJHWSX-UHFFFAOYSA-N 374.875 1.131 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12530090 LHGXJXHMCYFVTM-SZMVWBNQSA-N 367.449 1.675 0 40 FDAB O=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1ccc(F)c(F)c1 23075063 GLVPTKRHCPFZOB-UHFFFAOYSA-N 358.308 1.309 0 40 FDAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 12748649 LGDODRURMWPWDS-KRWDZBQOSA-N 350.484 1.932 0 40 FDAB CC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3cc(Br)ccc32)C1 48279510 BBUYOAWUUVTWSE-GFCCVEGCSA-N 368.231 1.915 0 40 FDAB O=C(CCNC(=O)Cc1ccccc1)NCc1ccc(-n2cncn2)nc1 48331979 UPKUWEIJPQKOHQ-UHFFFAOYSA-N 364.409 1.028 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12808556 GIWRAMVETNHTPF-WCQYABFASA-N 365.503 1.818 0 40 FDAB CN(C(=O)CSc1nnc(SCC(N)=O)s1)C1CCCCC1 22091486 KMFQLESUFGOVGQ-UHFFFAOYSA-N 360.530 1.999 0 40 FDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Br)cc1 9366667 FSCDSUWEHNMTJE-ZCFIWIBFSA-N 369.248 1.918 0 40 FDAB CN(C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5240283 LLWONWPDVDGSRZ-CQSZACIVSA-N 356.378 1.834 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 14016274 IBWAAMVUAXWTCV-UHFFFAOYSA-N 372.377 1.844 0 40 FDAB O=C1CN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c2ccccc2N1 14138543 BZRUIIXMONPMSS-UHFFFAOYSA-N 368.324 1.628 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1=COCCO1 5525193 RETPVOUNERPPLC-UHFFFAOYSA-N 372.830 1.951 0 40 FDAB C[C@@H]1CN(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)C[C@@H](C)O1 5676431 QXPWONXMFLYAMH-GHMZBOCLSA-N 365.434 1.526 0 40 FDAB Cc1nn(CC(=O)N(CC(C)C)CC(C)C)c(C)c1S(=O)(=O)N(C)C 7024271 GHGRDNUEAIENNP-UHFFFAOYSA-N 372.535 1.891 0 40 FDAB S=C(NCCN1CCOCC1)NC1CCN(Cc2ccccc2)CC1 7571186 XLXKYSISMRJGFG-UHFFFAOYSA-N 362.543 1.447 0 40 FDAB CC[C@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 8403416 OWMMOUWECXTCBA-CQSZACIVSA-N 359.451 1.794 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060078 GSHGTAXGZYYHEC-ZIAGYGMSSA-N 357.462 1.170 0 40 FDAB Cc1nn2c(SCC3CCN(C(=O)C(C)(C)C)CC3)nnc2nc1O 96010429 AJWNAYGFDYNOII-UHFFFAOYSA-N 364.475 1.910 0 40 FDAB CC1CCN(S(=O)(=O)CC(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 89929982 WSBIWQSGVVRRFU-UHFFFAOYSA-N 365.455 1.572 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1 25386965 ROIUBNRJJICJEX-UHFFFAOYSA-N 373.390 1.907 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)[nH]c(=O)c1Cc1ccc(C(C)C)cc1 22288979 YTDMIBXJQSKNQW-UHFFFAOYSA-N 370.497 1.907 0 40 FDAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12)c1cnccn1 306128051 GOTAVAMWDPHDIU-YXJHDRRASA-N 356.401 1.493 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1CCOC1)C2 306143387 YAYHVFJPZKKEGW-AEFFLSMTSA-N 359.470 1.558 0 40 FDAB CCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 72241395 DTBLMWUXNYFWNZ-IAGOWNOFSA-N 365.861 1.402 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1557527636 RPSHPIAMVLQDKR-UHFFFAOYSA-N 363.439 1.061 0 40 FDAB Cn1c(=O)c2c(nc(N)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 72226888 WWDQHUFZPYJHFT-UHFFFAOYSA-N 354.197 1.371 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N3CCC(C(N)=O)CC3)n2)cc1 75478176 LSWKJESHQHUOAB-UHFFFAOYSA-N 358.398 1.402 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1F 32101994 UEIKMXHDWKDVPV-CYBMUJFWSA-N 355.369 1.934 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241353 OVKFNIVIJKGACK-JKSUJKDBSA-N 353.850 1.306 0 40 FDAB O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1COc2ccccc2C1 45385016 AZZPSEIEJXCWDR-HNNXBMFYSA-N 355.442 1.850 0 40 FDAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nnc(C)s1 40287761 HBEXROJYWHLWAY-KRWDZBQOSA-N 371.422 1.784 0 40 FDAB O=C(CN1CCN(c2cnnc(O)c2Cl)CC1)NCc1ccccc1 40037390 KCRPQXUHPMNPJN-UHFFFAOYSA-N 361.833 1.274 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95479371 KPMZTNAJJPQFLP-GFCCVEGCSA-N 360.389 1.598 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)c1 585079963 XPFUVDKXNALEMM-HNNXBMFYSA-N 353.419 1.992 0 40 FDAB O=C(C1CCOCC1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96061705 LDKNPDMUNHVRMV-UXHICEINSA-N 358.482 1.957 0 40 FDAB O=S(=O)(NCc1ccnc([C@H]2CCCOC2)n1)c1ccc(F)cc1 257202892 ANVKKIFASAJJEL-LBPRGKRZSA-N 351.403 1.988 0 40 FDAB CCc1ncc(C(=O)NS(=O)(=O)c2ccc(OC)cc2OC)s1 65042162 RIHOTWMIHKBZMT-UHFFFAOYSA-N 356.425 1.841 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NC[C@]1(O)CCN(c2ncccn2)C1 257212717 CEQZQIGHJWWMSV-GOSISDBHSA-N 358.446 1.188 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2cnc(C)cn2)C3)nc1 253600407 NERWCHHKZCJXMT-HNNXBMFYSA-N 368.441 1.617 0 40 FDAB CNc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)c1 257209221 BPMIFCBCBRTNQM-GOSISDBHSA-N 357.458 1.925 0 40 FDAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(CCC(N)=O)C1 257231768 GICRUAJJHLDJTG-AWEZNQCLSA-N 372.473 1.869 0 40 FDAB CN1C[C@H]2C[C@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260832572 KPKGGLGYPLCSKE-BMIGLBTASA-N 354.453 1.153 0 40 FDAB CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@@](C)(O)CC1 625170050 VHPCCMJYRIIGMA-IAGOWNOFSA-N 359.463 1.950 0 40 FDAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc(Cn2cccn2)cc1 644072532 RAEMLWGJDXEPEM-OTWHNJEPSA-N 354.454 1.649 0 40 FDAB C=CC(=O)N1CCC(C(=O)N(C)CCn2cnnc2)(c2ccccc2)CC1 1153957555 VVWZAMNLVBKLLG-UHFFFAOYSA-N 367.453 1.483 0 40 FDAB O=C(CN1Cc2ccccc2C1=O)N1CCN(c2ccc(F)cn2)CC1 678731869 DTEKNXMRILNFSD-UHFFFAOYSA-N 354.385 1.525 0 40 FDAB COC(=O)CNC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602918491 RVNQAMLWNAHAFF-PKPZWWHKSA-N 358.797 1.576 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)OC 96385163 CBIWWUSGZLPITP-QGZVFWFLSA-N 360.385 1.954 0 40 FDAB O=C(O)Cn1cc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cn1 647744413 CROWLVBXYSBZGO-UHFFFAOYSA-N 362.430 1.771 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)N3CCOCC3)C2)c1 575403443 IGWVHVGNTSAMKD-QGZVFWFLSA-N 354.410 1.247 0 40 FDAB O=C(CCc1ccccc1)N1CC[C@](O)(CNC2CCCCC2)[C@@H](O)C1 585282489 DZASULMEMYPVSI-FPOVZHCZSA-N 360.498 1.866 0 40 FDAB Cn1ccc(CC(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@@H]3C2)n1 585107959 MTHROLIRMQLDGP-QZTJIDSGSA-N 372.444 1.604 0 40 FDAB Cn1nccc1C1(O)CN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 1153048966 VJBDBSRCOVKXHC-UHFFFAOYSA-N 357.801 1.807 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)C2CCC(CO)CC2)c1 84188095 QXNMPHIYRQSPEE-UHFFFAOYSA-N 355.456 1.953 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1ccccc1 13580925 NERQYIUYGCSTJO-UHFFFAOYSA-N 366.414 1.771 0 40 FDAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(C=O)CC4)nc3C2)cc1 14671902 ZDARVECZRBELQB-INIZCTEOSA-N 350.422 1.976 0 40 FDAB CCn1cc(NC(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)cn1 19746299 CSWMFHXBGOWSKW-UHFFFAOYSA-N 357.414 1.376 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@](C)(C(=O)NC2CCCC2)C1 19746923 MFOWTOWTXIBGSZ-KRWDZBQOSA-N 366.487 1.781 0 40 FDAB CCCc1cnc2c(c1S[C@@H](C)C(=O)OC)c(=O)n(C)c(=O)n2C 10216833 IREHPTZRWILSSN-VIFPVBQESA-N 351.428 1.238 0 40 FDAB Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)nn1 1888843207 CEYDXOSRMRNFAO-GHMZBOCLSA-N 366.347 1.437 0 40 FDAB COc1ccccc1CC(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 1888860219 APWYKWJKKJMTJG-UHFFFAOYSA-N 352.438 1.864 0 40 FDAB CCc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 1888897780 ONYOZWLWZRXQMJ-UHFFFAOYSA-N 350.430 1.840 0 40 FDAB COc1cccc(NC(=O)CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1 1888930291 MSOVGPWSMSIRIP-KRWDZBQOSA-N 361.442 1.347 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1889205662 PTQYCUKDMVSPHK-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB COC(=O)c1ccc([C@H]2SCC(=O)N2CCN2CCOCC2)cc1 19898668 IAGJKMGNAOTMCD-MRXNPFEDSA-N 350.440 1.379 0 40 FDAB Cc1nc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)cn1C 244909640 AOQPCBISMDLVRI-HDJSIYSDSA-N 350.444 1.792 0 40 FDAB CC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)n[nH]1 1565552133 LNXHMGBPJQHDJM-ROUUACIJSA-N 369.425 1.123 0 40 FDAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCC2)C1 2055747183 OELYOGPVCTXJHZ-LJQANCHMSA-N 363.433 1.771 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)CC1 2055815525 YQSPEOGQURFZSE-ZWOKBUDYSA-N 374.485 1.737 0 40 FDAB CCN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1 22465339 RWUAJACIFLLRBN-IBGZPJMESA-N 374.510 1.739 0 40 FDAB COCc1nsc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884518 DQFWBNZBAPHJPR-JTQLQIEISA-N 362.402 1.147 0 40 FDAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCC[C@@H](C)C3)snc2c1=O 49409833 XWPDZFWMDBYNMY-SNVBAGLBSA-N 350.444 1.819 0 40 FDAB CCOC(=O)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1 2961193 VXYZQXVRSVRVFA-UHFFFAOYSA-N 350.419 1.320 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 79313590 HTLJIRVYNAJEFE-HUUCEWRRSA-N 358.446 1.426 0 40 FDAB COC(=O)Cn1/c(=N\C(=O)c2cc(C)no2)sc2cc(OC)ccc21 101315302 KIXCHJQNTBKEQH-WUKNDPDISA-N 361.379 1.922 0 40 FDAB C[C@@H](Sc1nncs1)C(=O)NCc1ccnc(N2CCOCC2)c1 40153887 GJCPHVNXWIRVPX-LLVKDONJSA-N 365.484 1.567 0 40 FDAB NS(=O)(=O)c1ccc(OCCn2cc(C(F)(F)F)ccc2=O)cc1 31625418 SRMJLKHLPCMYMN-UHFFFAOYSA-N 362.329 1.594 0 40 FDAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1)C(C)C 32124379 FROVKFMRLBSWEF-GOEBONIOSA-N 357.414 1.659 0 40 FDAB biogenic O=c1oc2ccc(Cl)cc2n1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 32776703 HNZXPVFCNKABCQ-GFCCVEGCSA-N 356.831 1.857 0 40 FDAB CS(=O)(=O)Nc1cccc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)c1 32771860 CPMYQWRVTFCQLE-INIZCTEOSA-N 373.434 1.798 0 40 FDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 21700034 VCAKSSCGGPVFJV-CQSZACIVSA-N 371.455 1.712 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 42236084 MQVGUZCDJGQESX-UHFFFAOYSA-N 359.407 1.536 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CCCc2ccccc2)CC1 53907331 XFAKNWFSAZUNAD-KRWDZBQOSA-N 350.484 1.198 0 40 FDAB COC(=O)c1ccccc1N(C)C(=O)CN1CCN(c2nccs2)CC1 36408664 BOJLTECBCFKZSL-UHFFFAOYSA-N 374.466 1.715 0 40 FDAB CCCCn1c(N)c(N(C)CCOc2ccccc2C(C)=O)c(=O)[nH]c1=O 11037064 CSIHLRRTZNLMLZ-UHFFFAOYSA-N 374.441 1.637 0 40 FDAB O=C(CNc1ccccc1C(=O)NC1CCCC1)NCC(=O)N1CCCC1 50783107 RLEDYNQOTBGQKX-UHFFFAOYSA-N 372.469 1.510 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(F)c2)C1=O 3369148 OSKYHNHUQLTMDE-UHFFFAOYSA-N 365.361 1.418 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 3913087 GBJQFOSTBJONDG-LMHVJCSRSA-N 355.346 1.571 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(N)=O)o2)cc1 4184317 VGPRKXILQLQLKY-UHFFFAOYSA-N 370.456 1.345 0 40 FDAB CCOc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1OC 6964064 VJRNRJXOWOMHEH-WQLSENKSSA-N 364.423 1.667 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn12 101346311 ZIUSNPVVAFJSBF-BETUJISGSA-N 361.361 1.540 0 40 FDAB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2ccccc21 11685398 JXAPUHNNJCYVEK-SNVBAGLBSA-N 368.422 1.829 0 40 FDAB Cn1/c(=N\C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)sc2ccccc21 101871945 JBKZDICKNKVGEX-UTNNDRTLSA-N 355.419 1.618 0 40 FDAB O=C(c1ccc[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32744471 VZVRIPWFQBKGNH-UHFFFAOYSA-N 353.831 1.815 0 40 FDAB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2c1 32906250 ZRXFGULFSMOTFU-LBPRGKRZSA-N 362.382 1.637 0 40 FDAB COc1ccc(C(=O)N2CCOCC2)cc1NCC(=O)Nc1cc(C)no1 58178558 WEYHYGDCKHTBCD-UHFFFAOYSA-N 374.397 1.515 0 40 FDAB COCCNC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 53229621 NHXMVYWRRPVNTG-MRXNPFEDSA-N 367.421 1.279 0 40 FDAB Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 824796 TZMJCCLERGZRRF-UHFFFAOYSA-N 353.426 1.472 0 40 FDAB CCc1nn2c(=O)cc(CNc3cccc(-c4nnnn4C)c3)nc2s1 58364029 SSGLCYGEGNUVJS-UHFFFAOYSA-N 368.426 1.516 0 40 FDAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23351889 TZTZLDMZJPVSOT-GFCCVEGCSA-N 373.482 1.919 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 23458661 WJRQQXIXMFVXHO-UHFFFAOYSA-N 361.398 1.710 0 40 FDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCCC2)C1=O 24728061 TXRGHUDTMAPGOI-FQEVSTJZSA-N 355.438 1.955 0 40 FDAB C[C@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)NC(N)=O 56187470 BKKJSCIRLDUTFA-NSHDSACASA-N 357.366 1.990 0 40 FDAB O=CN[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2137423 NSGJHPXAGOJXEQ-KWBADKCTSA-N 364.660 1.710 0 40 FDAB biogenic O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCCO3)cn1)NC1CCCC1 58222826 GLXOSJNEGDVNAW-UHFFFAOYSA-N 370.409 1.965 0 40 FDAB COc1ccc(CC[C@@H](C)NC(=O)[C@@H](CCSC)NC(N)=O)cc1 58218444 HMERIOLYGIMOEL-IUODEOHRSA-N 353.488 1.923 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3368760 FEUGAQXJFDQLLO-UHFFFAOYSA-N 367.361 1.738 0 40 FDAB CCCn1nnnc1COC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 7733062 WNWDRQYNVUBGRL-KRWDZBQOSA-N 359.430 1.510 0 40 FDAB Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 68441227 DAENSWZGFANEMY-KSZLIROESA-N 368.437 1.958 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 12995155 FAASDLOLLGWGQW-UHFFFAOYSA-N 367.453 1.510 0 40 FDAB O=C(CSc1nnnn1C1CC1)NCCOc1ccc(Cl)cc1 12924306 VJVZPTWWDWKZAU-UHFFFAOYSA-N 353.835 1.949 0 40 FDAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc(C(N)=O)cc1)OCCO3 13095753 APLOZJXCNZOXCZ-UHFFFAOYSA-N 366.377 1.854 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)c1 13146259 HZAXFCZPGVODLB-HUUCEWRRSA-N 372.421 1.960 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1 3885392 CJCRCJOYANWZJE-UHFFFAOYSA-N 363.439 1.915 0 40 FDAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C 13533751 VRVXVLAHKMXGQK-NSHDSACASA-N 353.426 1.838 0 40 FDAB COC(=O)CNC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49549122 WAOKTGOJCZHKQF-UHFFFAOYSA-N 360.320 1.844 0 40 FDAB C[C@H](NC(=O)NCCN1CCCC1)c1cccc(NS(C)(=O)=O)c1 89905260 PMSPJSDKGBXFOW-ZDUSSCGKSA-N 354.476 1.514 0 40 FDAB CCCCN1CCC(NC(=O)CCc2nc(-c3ncccn3)no2)CC1 69422711 MYFLXEUXPCIHJU-UHFFFAOYSA-N 358.446 1.840 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 6449930 YPSITKHYNUPYGK-AWEZNQCLSA-N 354.428 1.133 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)[C@H]2CCCN2C1=O 14171181 ORYXVVGMNKEORO-CQSZACIVSA-N 372.425 1.127 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)C1=O 6542125 KNFYKGDZQPMPDM-AWEZNQCLSA-N 373.409 1.054 0 40 FDAB CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCCCC1 6939757 XWACCFIBVBOGPE-UHFFFAOYSA-N 367.515 1.931 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=O)s1 8768146 LUTPXSWLQKVTLX-UHFFFAOYSA-N 369.468 1.397 0 40 FDAB CCCN(C(=O)CCn1c(=O)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 18698706 CANSKTQCKJNDEP-ZDUSSCGKSA-N 366.439 1.410 0 40 FDAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)NC(=O)NCc1ccccc1 8981439 WXLYJLJUCLOHAT-LBPRGKRZSA-N 361.427 1.774 0 40 FDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1 19530279 VDECFGPRJKXARG-KRWDZBQOSA-N 358.442 1.105 0 40 FDAB Cn1cc2c(n1)N(C(=O)c1ccccc1)CC[C@H]2NC(=O)[C@H]1CCCO1 306124896 CBRCIZAFYMBLBI-HZPDHXFCSA-N 354.410 1.807 0 40 FDAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NC1CC1 72406149 MIUZSSHUUFRADC-LBPRGKRZSA-N 350.850 1.839 0 40 FDAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2ncn(C)c(=O)c2c1 95480855 XZHRNYCVFLTTDX-UHFFFAOYSA-N 368.393 1.528 0 40 FDAB Cc1c(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)oc2c(Cl)cccc12 95997893 MYTGOMSQBAYDSQ-UHFFFAOYSA-N 359.773 1.782 0 40 FDAB O=C(c1ccccc1)N1CC(S(=O)(=O)NC2CCN(C3CC3)CC2)C1 95999900 MSPOQCTUWZLLCE-UHFFFAOYSA-N 363.483 1.057 0 40 FDAB COc1cccc2ncnc(N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)c12 543977372 VBYZTDJRHZXTBX-HNNXBMFYSA-N 369.469 1.771 0 40 FDAB COc1ccc(OC)c([C@H](O)CN2CCO[C@H](CN3CCCCC3)C2)c1 36734432 VIHIOBGECPYAES-IEBWSBKVSA-N 364.486 1.924 0 40 FDAB O=C(Nc1cccn2nnnc12)c1cc(=O)c(OCc2ccccc2)c[nH]1 524733833 UFLBVJAEUFNFFW-UHFFFAOYSA-N 362.349 1.644 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 72327002 PZCSHKFGVWACGW-BONWFUQQSA-N 368.481 1.748 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 74192901 LCVPDFSLYKIUOG-GFCCVEGCSA-N 360.382 1.376 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218072451 ZVTJNXILWRHLIV-CPUCHLNUSA-N 370.471 1.428 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C(=O)O)c2)cc1 217724708 WZAQCWDGOOPCJH-UHFFFAOYSA-N 350.352 1.050 0 40 FDAB Cn1cc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)no2)cn1 72340060 MCXNFVHOWJIEII-UHFFFAOYSA-N 371.372 1.733 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccco3)N[C@@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 229916465 CSTXXNOXJXSUHV-ULMVMLMRSA-N 368.389 1.614 0 40 FDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCO3)cc1 46722432 OXUPXNLQWAAPKS-UHFFFAOYSA-N 360.435 1.802 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 223671589 WOCRBMQQWKZNLC-UHFFFAOYSA-N 366.420 1.238 0 40 FDAB COC(=O)CSc1nnc(NC(=O)COc2ccc(F)cc2)s1 224816996 JCEDALUUICVLDQ-UHFFFAOYSA-N 357.388 1.960 0 40 FDAB COc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1OCC(N)=O 226298313 ZQXUZLPPXOSMNA-UHFFFAOYSA-N 373.316 1.744 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061272 ILUNKSGMNARPPT-INIZCTEOSA-N 350.459 1.576 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2)C(C)(C)C1 330908416 UEPMXMXQEWXJPT-UHFFFAOYSA-N 364.421 1.160 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCn2nnc(COc3cccnc3)c2C1 96256006 LXBFKTJVAOMFMC-UHFFFAOYSA-N 367.384 1.976 0 40 FDAB CCOC[C@H]1CN(S(C)(=O)=O)Cc2cnn(CC3CCOCC3)c21 96198464 ZQBWOWGIVAYRTH-OAHLLOKOSA-N 357.476 1.205 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)[nH]n1 96223453 YKUFMMUQOQVQOD-KSSFIOAISA-N 356.430 1.408 0 40 FDAB CC(=O)N1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 96249868 UMDRILMJTBATJM-NVXWUHKLSA-N 352.456 1.253 0 40 FDAB COCCNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257273459 NGQPQWMCCZQQDO-CJNGLKHVSA-N 354.834 1.639 0 40 FDAB CC(C)n1nccc1-c1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257331402 XSRSWGRYYHJGOB-OAHLLOKOSA-N 364.475 1.864 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 252516176 QLIXGLJMKAXNKZ-GUDVDZBRSA-N 361.463 1.881 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(=O)(=O)c2ccccc2)NC1 253560717 BDSNBSMJDVWFJQ-IJEWVQPXSA-N 350.488 1.966 0 40 FDAB O=C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cn2c(n1)COCC2 626544627 DTWCZXXKXTXUJQ-SNVBAGLBSA-N 369.347 1.621 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2nc3ccc(Cl)cc3n2C)C1 643757174 JISQEKCDWZPLMO-QGZVFWFLSA-N 350.850 1.690 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)C1(c2ccc(F)cc2)CC1 390830129 IXECSEDCALTCDV-OAHLLOKOSA-N 366.400 1.690 0 40 FDAB CC(=O)c1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1 390829410 YKBIKVHYJKCQBB-UHFFFAOYSA-N 362.393 1.940 0 40 FDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3ccncc3)C2)OC1)C1CC1 585104307 GZKACFVDLPJGDK-OAHLLOKOSA-N 351.472 1.144 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112612 UGBCCIZHVAYPLA-QGZVFWFLSA-N 366.462 1.909 0 40 FDAB O=C(NC1CC2(CCN(C(=O)Cc3ccccn3)CC2)C1)c1cnccn1 585104176 KBUOXSQDGBZMBC-UHFFFAOYSA-N 365.437 1.615 0 40 FDAB O=C1CC[C@@H](NS(=O)(=O)c2ccc(OC3CC3)cc2)[C@H](C2CC2)N1 685941016 NUWCONCQMIEJGE-WBVHZDCISA-N 350.440 1.563 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1 96099049 GBGOCNAJJKERGH-UHFFFAOYSA-N 351.354 1.231 0 40 FDAB CCN1OC2(CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1=O 1549166341 CWERIQBWBYPLCR-UHFFFAOYSA-N 354.428 1.402 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NCc2ccco2)n1 12735186 RHFJUVYUYPUOGB-CYBMUJFWSA-N 355.398 1.731 0 40 FDAB CC(C)CNC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O 19447355 DLFZDIRSRGDKBK-UHFFFAOYSA-N 359.470 1.758 0 40 FDAB CNC(=O)c1ccc([C@@H]2CCCN(C(=O)CCc3nc(C)no3)C2)nc1 19706042 TVDXXYGLKSYKRW-CQSZACIVSA-N 357.414 1.471 0 40 FDAB CCCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCOC)n(C)c1=O 10387016 GMKXEOITPPFTRW-GFCCVEGCSA-N 362.434 1.100 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3527736 VHUSTPWDJLUNII-UHFFFAOYSA-N 354.410 1.697 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)c1 1888843260 QMKSQBCGBURSSJ-PHIMTYICSA-N 366.347 1.437 0 40 FDAB O=C([C@@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCOCC1 1889139878 WGVDWADPTJBSKP-KRWDZBQOSA-N 373.478 1.870 0 40 FDAB CCOc1ccc(OCCSCc2cc(=O)n(C)c(=O)n2C)cc1 32909497 JIEGKDXTEYYZTL-UHFFFAOYSA-N 350.440 1.795 0 40 FDAB CCOC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 5123363 SRFIEMJJNZPGMX-OAHLLOKOSA-N 374.441 1.584 0 40 FDAB COc1cccc(CNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 10254221 RENSPFMENFPTDR-UHFFFAOYSA-N 367.361 1.795 0 40 FDAB Cn1nnc2c(SCC(=O)N3CCN(c4ccccc4)CC3)ncnc21 13531704 QYCWMHNYCPMGET-UHFFFAOYSA-N 369.454 1.199 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)no1 16976437 LGSITNVZVOJDEF-UHFFFAOYSA-N 361.373 1.925 0 40 FDAB CN(C)C(=O)CN1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055738853 VTTBZSBQMKAONH-UHFFFAOYSA-N 362.449 1.439 0 40 FDAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)c4ccc(O)nn4)C[C@@H]32)cn1 2055708136 NUYZHGBPIGKKSO-JGGQBBKZSA-N 356.382 1.052 0 40 FDAB CCN1CCN(CCn2c(S)nc3cc4c(cc3c2=O)OCO4)CC1 20644366 FEIMRSPNXFNKPM-UHFFFAOYSA-N 362.455 1.051 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 29162073 WVLHNFNZOATQPH-UHFFFAOYSA-N 358.383 1.286 0 40 FDAB COc1ccc(Br)c(C(=O)NCCn2cccnc2=O)c1 670163254 MPCDKKNDHMKSIQ-UHFFFAOYSA-N 352.188 1.444 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1 75170600 MRJCZXSRPBHUOP-HNNXBMFYSA-N 355.437 1.721 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2cccc(C)c2)C1 40091932 CBQYUCIUJKLLJL-INIZCTEOSA-N 368.499 1.942 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cnn(C)c3-n3cccc3)CC2)on1 40087821 OSPBNTBPAJKJCP-UHFFFAOYSA-N 354.414 1.465 0 40 FDAB O=C(c1cnsn1)N1CCC(NS(=O)(=O)c2cccs2)CC1 40151353 YUZXVMHXBCFLNQ-UHFFFAOYSA-N 358.470 1.183 0 40 FDAB Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H]1c1ccsc1)c(=O)n2C 40154243 AOHJRKVZXKPEGH-CQSZACIVSA-N 373.482 1.722 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 100186978 KBHHTOSFOTZBJL-GJZGRUSLSA-N 367.336 1.386 0 40 FDAB CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 2396230 HCNSCFLXMRLHNI-QGZVFWFLSA-N 360.439 1.825 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 15544097 YFRSGBDVRIGXSL-UHFFFAOYSA-N 366.506 1.583 0 40 FDAB CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 31874328 HHUNGTFOGPSSQV-ZDUSSCGKSA-N 358.460 1.999 0 40 FDAB CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 4921301 AOHYQGVMTDLXSL-QSUVIHHLSA-N 374.433 1.882 0 40 FDAB Cc1csc(NC(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 32094840 QIMZNMDVZPZNOU-ZDUSSCGKSA-N 372.450 1.949 0 40 FDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@H]1C(=O)NC1CC1 45749687 BOTLYTHZSAZASM-YOEHRIQHSA-N 355.438 1.847 0 40 FDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1 20736978 DXDBFLHRYLRRRI-UHFFFAOYSA-N 350.378 1.653 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 104828454 VNURPNKDOYXSEL-BLWYNMFXSA-N 361.829 1.879 0 40 FDAB COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 8277271 KOHTYPYDSHZDKP-CQSZACIVSA-N 360.435 1.769 0 40 FDAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 52684052 NKBUTBLJDCOBIT-UHFFFAOYSA-N 369.400 1.756 0 40 FDAB CCN(CC)C(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030436 FZFQHWHQLARETK-CQSZACIVSA-N 359.469 1.129 0 40 FDAB Cc1ccc(CCC2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1 22061959 CHWRUHLBZWETNE-UHFFFAOYSA-N 355.438 1.716 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2ccccc2=O)c1 7473581 LPWKTUDOTQIRPQ-UHFFFAOYSA-N 363.439 1.518 0 40 FDAB Cc1cc(C)n2ncc(C(=O)Nc3nc(CN4CCOCC4)cs3)c2n1 23188599 KHNCXPDGKWVYAE-UHFFFAOYSA-N 372.454 1.887 0 40 FDAB NC(=O)C1CCN(C(=O)c2cc(O)c(OCc3ccccc3)cn2)CC1 12167936 KXDZONQGNWMSDG-UHFFFAOYSA-N 355.394 1.704 0 40 FDAB CC1(C)NC(=O)N(Cc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)C1=O 942649 KGJRGOQVRAVMSI-UHFFFAOYSA-N 358.398 1.347 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cn1ncn(C)c1=S 26640138 HKSAAAKLNFUZIM-UHFFFAOYSA-N 367.500 1.612 0 40 FDAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 23348029 QVYCVEZLPZUJEP-UHFFFAOYSA-N 357.395 1.754 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 47024556 RCYVLTYDAHOMLH-AWEZNQCLSA-N 357.497 1.719 0 40 FDAB CN1CCc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C1 23608203 HGOKYYMFTXROMI-PHIMTYICSA-N 362.455 1.245 0 40 FDAB CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)c1 47190730 LQCBUPQZRWGMGZ-UHFFFAOYSA-N 353.378 1.697 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccnc1 61718646 GPPCQXNDCCMQSL-HNNXBMFYSA-N 353.426 1.940 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25064535 FJYVODJQARZYDB-UHFFFAOYSA-N 370.453 1.653 0 40 FDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 25065641 UFKTXUGKUUUSPP-UHFFFAOYSA-N 363.421 1.851 0 40 FDAB CCOC(=O)N1CCN(CC(=O)NC(=O)NCCC2=CCCCC2)CC1 34867961 ZCKJJGWWHPSWTG-UHFFFAOYSA-N 366.462 1.477 0 40 FDAB COc1cc(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 56037287 DHSVUMSISRMOHY-CQSZACIVSA-N 373.496 1.652 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 58163517 INHAATJWATZZRL-HOTGVXAUSA-N 374.485 1.559 0 40 FDAB C[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)c1ccc(-n2ccnc2)cc1 58168896 NINCYLIQADDOCY-LLVKDONJSA-N 369.347 1.911 0 40 FDAB CC[C@@H](NC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O 2159258 CFLGRRJTMXNSRV-GFCCVEGCSA-N 363.366 1.641 0 40 FDAB biogenic O=C(CN[C@H](C(=O)Nc1ccccc1)c1ccccc1)NC(=O)NC1CC1 58277522 XSJZZDHZLVNTLY-SFHVURJKSA-N 366.421 1.944 0 40 FDAB COCCN1CCCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 48299880 KPACFUNPXCOFRB-MRXNPFEDSA-N 350.459 1.781 0 40 FDAB NC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 12824357 SGJJARXJOONMTJ-SFHVURJKSA-N 368.437 1.981 0 40 FDAB CN(C)C(=O)CN1CCC(NC(=O)N(C)Cc2ccc(F)cc2F)CC1 69506169 OUQZETMMFODBCX-UHFFFAOYSA-N 368.428 1.659 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 13360130 UQCLRDXORDCROP-UHFFFAOYSA-N 365.363 1.981 0 40 FDAB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 6083155 PSXVETWQEZQFON-HNNXBMFYSA-N 357.435 1.870 0 40 FDAB COc1cccc(CN2C[C@H]3c4nn(CC(C)C)c(=O)c(=O)n4C[C@H]3C2)c1 306142059 WOGKROWKGRUHHN-NVXWUHKLSA-N 370.453 1.299 0 40 FDAB CCCNC(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306136954 QHHAVHDZVIFAPV-CYBMUJFWSA-N 364.471 1.613 0 40 FDAB COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2F)n1 4476650 DBRKXIHWFVHXGN-UHFFFAOYSA-N 356.335 1.143 0 40 FDAB C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccc2c(c1)CCC2 14240200 ARVZYEJAYCWVGF-YGRLFVJLSA-N 359.382 1.034 0 40 FDAB COc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 4945131 SMXGGVTWLBAHEF-UHFFFAOYSA-N 361.789 1.627 0 40 FDAB Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1C1CCCC1 4945221 UUMWVLHIXVORSZ-UHFFFAOYSA-N 359.430 1.264 0 40 FDAB COC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9576568 TVSWIVLSPAVSTG-SNVBAGLBSA-N 374.846 1.416 0 40 FDAB CCCNC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 8994087 KQRMDVWLVXRJRE-KRWDZBQOSA-N 351.406 2.000 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(F)c1 8993866 CAKUKCKLUAAZCI-SNVBAGLBSA-N 359.332 1.845 0 40 FDAB C[C@@H](Oc1ccc(S(=O)(=O)NCCO)cc1)C(=O)NC1CCCCC1 408596488 WIQUXVVDJJQTEH-CYBMUJFWSA-N 370.471 1.173 0 40 FDAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 9154244 IIJKCAPZBALULW-IBGZPJMESA-N 374.441 1.858 0 40 FDAB CC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)CC1 72074599 IMCXYORUCDTXSI-UHFFFAOYSA-N 372.450 1.805 0 40 FDAB O=C(CCSc1ccc(F)cc1)N(CCO)CCN1CCOCC1 84404964 ZNPIQLNQNHTPEO-UHFFFAOYSA-N 356.463 1.461 0 40 FDAB CN(C)C(=O)CC1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 95469120 QTLVEXQHXCPMMS-UHFFFAOYSA-N 365.861 1.787 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 89289573 FHFOBKQFAJXUAA-UHFFFAOYSA-N 368.437 1.334 0 40 FDAB COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)s1 31809355 KQIAHGPBKCTYQP-UHFFFAOYSA-N 358.379 1.695 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218651240 BFERPMGBDMFTQG-CKEIUWERSA-N 372.462 1.948 0 40 FDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2nnc(O)n2c1 536516549 ROQGGYOXFBSLAO-UHFFFAOYSA-N 373.394 1.227 0 40 FDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@H]1CO 72321438 AQZPKSGXKITXKV-IEBWSBKVSA-N 369.421 1.899 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)Cc1ccccc1 224043190 VTSBGHQTQCTVFN-UHFFFAOYSA-N 367.515 1.440 0 40 FDAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ncccn2)CC1 225709778 LFUQUQYLVWFHHR-HNNXBMFYSA-N 355.398 1.002 0 40 FDAB CN(C)CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223109783 FXFWDEZAMWUCCN-UHFFFAOYSA-N 361.895 1.170 0 40 FDAB Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243885 UQRKTFPMZDOYOV-INIZCTEOSA-N 373.432 1.885 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1cccnc1)C2 96060779 FVAFCVNZEAZGIW-INIZCTEOSA-N 350.426 1.921 0 40 FDAB COCCN1CC[C@]2(CCCN(S(=O)(=O)c3cccs3)C2)C1=O 96073960 SSWCYJIINBEJQH-HNNXBMFYSA-N 358.485 1.398 0 40 FDAB CN(C)S(=O)(=O)CC(=O)N1CCCN(CCCc2ccccc2)CC1 332308974 IJJZZNOEPYEVEC-UHFFFAOYSA-N 367.515 1.045 0 40 FDAB O=C(O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc21 96111625 SCQKGKFEHLRILA-HOCLYGCPSA-N 366.373 1.780 0 40 FDAB biogenic,in-vitro Cc1cc(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)nn1C 245171788 XVIPFXODFYOOFA-UHFFFAOYSA-N 357.382 1.697 0 40 FDAB Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1 585081771 ZGYKHFGOFLJYOA-CQSZACIVSA-N 359.411 1.900 0 40 FDAB CCc1nccn1CC(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257254283 KCLOFMVKRHTVII-IBGZPJMESA-N 357.458 1.330 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC2CCN(C)CC2)cn1 257207503 BIBBLRNXVFQTCD-UHFFFAOYSA-N 355.442 1.332 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)c(OC)c1 257262138 LKGHYIZJHZBKHY-KDOFPFPSSA-N 363.458 1.291 0 40 FDAB Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257278136 OAYQPNUMVDSMBR-CYBMUJFWSA-N 364.475 1.154 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)c1C 257297483 RHKXYBCESMPUIK-GFCCVEGCSA-N 351.432 1.275 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(CC(=O)Nc2cc(C)nn2C)C1 1775957390 RTOLIYUCRVVVLJ-GOEBONIOSA-N 359.430 1.230 0 40 FDAB CCCN1CC[C@@H](NS(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)C1 625284012 MTSBCZBTUAJZKB-IAGOWNOFSA-N 358.479 1.787 0 40 FDAB CN1CCO[C@@H](CNc2cc(NCC3CC3)ncn2)[C@@H]1c1ccnn1C 1775959029 CKWKWRZNLQWQMM-YJBOKZPZSA-N 357.462 1.516 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 643745709 QEWFACKKDBYMRF-QGZVFWFLSA-N 354.834 1.704 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)N1CC(Cc2ccccc2Cl)C1 644389302 IXUJJSUEPLJIJG-MRXNPFEDSA-N 350.846 1.714 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C2CCOCC2)n1 644406965 HBQUOBOUKNYMCW-AWEZNQCLSA-N 358.446 1.458 0 40 FDAB CN(Cc1nnc(C2CC2)n1C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 671562998 FVYPCMOIZWZXSS-MAUKXSAKSA-N 357.506 1.941 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@@](O)(COc3ccccc3C)C2)c(O)n1 585278301 RLHAOAAERUUYSQ-LJQANCHMSA-N 373.409 1.082 0 40 FDAB Cc1ccc(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c(C)c1 685942990 POTOWUJGLCLZKD-ARFHVFGLSA-N 358.442 1.482 0 40 FDAB Cc1cc(=O)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cn1C1CC1 685941458 ZXAODSBMPIKSJD-ZVZYQTTQSA-N 359.426 1.048 0 40 FDAB O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)N1CCc2ccccc21 85436881 MCGMDHBXBGSHSZ-SFHVURJKSA-N 355.438 1.520 0 40 FDAB Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCSc1ccccc1 12593066 LSQGCPIHQUTXJK-UHFFFAOYSA-N 353.469 1.585 0 40 FDAB CN(C)CN1C(=O)[C@@]2(N=C(N)Nc3nc4ccccc4n32)c2ccccc21 14608230 HYRRFEBTBRQKRO-LJQANCHMSA-N 361.409 1.343 0 40 FDAB O=C(NCCn1nc2c3ccc(Cl)cc3ncn2c1=O)c1ccncc1 19346024 ZSACSIHRUPITLK-UHFFFAOYSA-N 368.784 1.523 0 40 FDAB O=C(c1ccncn1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643575615 SMNBBAKKTSXLSV-ZWKOTPCHSA-N 371.437 1.446 0 40 FDAB O=C1NCCCC[C@@H]1N1CCC(Oc2ncc(Br)cn2)CC1 1888834590 QTUYZPDVNMGTOO-ZDUSSCGKSA-N 369.263 1.751 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)n1)CCC2 1888866294 SUPFHPUYJMLRIY-ZIAGYGMSSA-N 352.442 1.216 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]3C2)nc2ccccc21 1888903727 GCFXPDWOFBOIKC-CHWSQXEVSA-N 351.414 1.383 0 40 FDAB O=C(c1cccc(F)c1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888908445 ULWHLKZLXGGJMV-OKILXGFUSA-N 352.373 1.472 0 40 FDAB Cc1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(N2CCCC2)n1 1889205659 LJKVAXACCLRLMM-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB c1ccc2nc(N3CCN(c4ccc(-n5cccn5)nn4)CC3)cnc2c1 1889218770 MSUOGJRBYOEATP-UHFFFAOYSA-N 358.409 1.932 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 29675114 JCYIOBLQQPSJRA-GOSISDBHSA-N 372.513 1.952 0 40 FDAB CCCNC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775963821 FFNFTDMAYUNSDH-ZDUSSCGKSA-N 358.402 1.538 0 40 FDAB biogenic,in-vitro O=C(N1CCCC1)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225374 OZJSFCHULDKANQ-KBXCAEBGSA-N 362.451 1.397 0 40 FDAB O=C(NC1CCCC1)[C@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2O1 1565548567 FOFZEGUGRLIJCP-JQHSSLGASA-N 372.469 1.474 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)cn1 1565547097 KLOLHJFNQHPBAF-RCCFBDPRSA-N 357.454 1.647 0 40 FDAB COc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccccc2)cc1 4940925 QNUFZPGKRCTEJL-UHFFFAOYSA-N 362.451 1.587 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CC(c2nc(-c3ccccn3)no2)C1 49031935 FXFQSLVDEDVUIU-UHFFFAOYSA-N 373.376 1.952 0 40 FDAB CC(=O)NCC(=O)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147535 HBLLBQNXSXMODB-UHFFFAOYSA-N 368.437 1.285 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1 208033577 NDZXIQMFTJKYSV-UHFFFAOYSA-N 354.409 1.382 0 40 FDAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@H]2C(=O)CO 59676569 PQSUYGKTWSAVDQ-CWZKNBAESA-N 360.450 1.846 0 40 FDAB biogenic C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 11010743 LEUIFBBRGBDQAP-FZMZJTMJSA-N 351.424 1.480 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1 2438912 QXGCXUDQIMWZKH-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB CC(=O)Nc1nnc(CCSCCc2nnc(NC(C)=O)s2)s1 3209244 GYOXKYJWLWBKML-UHFFFAOYSA-N 372.501 1.825 0 40 FDAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1-c1cccc(F)c1 101041982 KSHMSKQUGOXYNO-INIZCTEOSA-N 353.353 1.606 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108535421 JCXKVUJQWRBDQI-AWEZNQCLSA-N 354.414 1.533 0 40 FDAB C[C@@H](C(=O)N1CCCC1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 8328152 ANUDYVNPMQWSNY-RBZFPXEDSA-N 355.438 1.953 0 40 FDAB Cc1noc(-c2ccc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2)n1 29198699 JQXMZABWCJOVMP-CQSZACIVSA-N 364.427 1.199 0 40 FDAB COc1ncccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 52428652 BECYRXJUBUWENS-OAHLLOKOSA-N 355.394 1.717 0 40 FDAB O=C1[C@H]2CCCCN2C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 52584240 GYYGQJMROIRYRA-QGZVFWFLSA-N 360.433 1.764 0 40 FDAB Cn1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(=O)[nH]c1=O 32913143 DIWXJKJBICDKFB-UHFFFAOYSA-N 351.746 1.141 0 40 FDAB CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCOCC3)nc2)cs1 32921394 QIXYXHSUFGPATQ-UHFFFAOYSA-N 361.427 1.263 0 40 FDAB Cc1oc(C)c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1C 53991786 AUGIHZKFFMPAMQ-UHFFFAOYSA-N 369.421 1.707 0 40 FDAB CC(C)(C)c1n[nH]c(SCc2nc3ccccc3c(=O)n2CC(N)=O)n1 12259466 GBYCPAWBTMLTMQ-UHFFFAOYSA-N 372.454 1.590 0 40 FDAB O=C([C@@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]1O2)N1CCCC1 107264055 FAMMULFAQBFPJO-GVDBMIGSSA-N 364.467 1.228 0 40 FDAB CCn1c(SCC(N)=O)nnc1-c1cc(OC)c(OC)c(OC)c1 904697 OEOPSQMMSJSFIU-UHFFFAOYSA-N 352.416 1.568 0 40 FDAB CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 23227941 JBYVMJLSCZCRSD-INIZCTEOSA-N 372.446 1.995 0 40 FDAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 46916516 KIPLCZUOUKWDEU-LLVKDONJSA-N 353.444 1.692 0 40 FDAB O=C(NCCc1nnc2n1CCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1 42502823 NRZTUTOYACVFPN-OAHLLOKOSA-N 369.425 1.314 0 40 FDAB O=S1(=O)CC=C(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)C1 1385656 VDWJPKGOUGLZEJ-UHFFFAOYSA-N 361.750 1.840 0 40 FDAB CS(=O)(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O 1438675 WQQSZUOPXYMGKN-QGZVFWFLSA-N 370.430 1.842 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)[C@H]2CCCC[C@H]2C1=O 25703288 RUKHYOYGHURBND-BBWFWOEESA-N 356.422 1.719 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 306131917 KTCFYFUSKHJHRG-DJIMGWMZSA-N 359.451 1.829 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 3240240 ZTCACIKWFIYCLC-UHFFFAOYSA-N 354.428 1.106 0 40 FDAB C[C@@H](C(=O)NCc1cn2cc(Br)ccc2n1)S(C)(=O)=O 58291375 HVGHVXPHFMGHGK-QMMMGPOBSA-N 360.233 1.146 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCC(=O)N1CCOCC1 12600180 SCTZLFVLXJZQHI-UHFFFAOYSA-N 367.833 1.342 0 40 FDAB O=C(c1ncccc1O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 58307741 LCXQBDVXYDJVBP-UHFFFAOYSA-N 371.422 1.857 0 40 FDAB C[C@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)C(=O)O 2229092 HJXUFNRLYWVCKB-HIFPTAJRSA-N 358.398 1.187 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O 3353029 TWZXLYSVNPVOJI-CWTRNNRKSA-N 373.409 1.532 0 40 FDAB O=C(CN1CCOCC1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 22328465 IGDNNAVMIVYUFD-UHFFFAOYSA-N 370.453 1.318 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)NC[C@H]2Cc3ccccc3O2)=NN1c1ccccc1 48299169 QUHWTSSGZHIFGN-WBVHZDCISA-N 364.405 1.227 0 40 FDAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3435661 PKXCJQZVYXFROU-IBGZPJMESA-N 353.378 1.632 0 40 FDAB O=S1(=O)CC[C@@H](S(=O)(=O)Nc2ccc(Br)cc2)C1 8024787 YJIAZSNOWJXCIQ-SNVBAGLBSA-N 354.247 1.378 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)C1=COCCO1 3545496 ZCAHQOZQDJIIJZ-UHFFFAOYSA-N 368.773 1.168 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O 68940623 IFRNWALRRGPJHJ-UHFFFAOYSA-N 354.881 1.255 0 40 FDAB CN(CC(=O)NC(=O)NC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 21763314 GKJZXEOPDFGVHY-UHFFFAOYSA-N 371.441 1.513 0 40 FDAB COc1ccc2c(c1)CCC[C@]21NC(=O)N([C@@H](C)C(=O)NC2CC2)C1=O 8130803 ZQWGKCRQYBNSHV-WLRWDXFRSA-N 357.410 1.446 0 40 FDAB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1Cc1ccco1 4334208 MSOBQALCLISOFS-UHFFFAOYSA-N 357.366 1.738 0 40 FDAB CCOc1c(Cl)cc(Cl)cc1CNCCNC(=O)c1nonc1N 4384160 JCDXCFPMLBKMFT-UHFFFAOYSA-N 374.228 1.877 0 40 FDAB CCCn1c(N)c(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(=O)[nH]c1=O 5357399 QEVFEMBGWFQRNU-UHFFFAOYSA-N 373.438 1.689 0 40 FDAB COCCCNC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 14168990 BLATVAHMXQQGBP-UHFFFAOYSA-N 350.444 1.059 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@@]2(CC(=O)N(c3ccccc3)C2=O)C1 4694901 FZFGKEGIXZGPND-HXUWFJFHSA-N 363.373 1.781 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OC)cn2C)n1 71281345 RPWOWLQUUBFBKD-UHFFFAOYSA-N 351.384 1.208 0 40 FDAB O=C(NC1CCCCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9154059 YDSSFLPTHGIFAB-AWEZNQCLSA-N 369.487 1.381 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccccn1 96116444 XKQYMGAJILBQGH-INIZCTEOSA-N 352.394 1.271 0 40 FDAB biogenic CC(C)CN1CCO[C@@H](CNC(=O)CN(CC(F)(F)F)C2CCC2)C1 75104905 KJJBMCXPSHMHKL-HNNXBMFYSA-N 365.440 1.876 0 40 FDAB CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1C(C)=O 96306076 KXORJSYDOCYMEM-UHFFFAOYSA-N 351.384 1.207 0 40 FDAB CCCCC[C@H](C)NC(=O)CSc1nc(CC(=O)OC)cc(=O)[nH]1 9690729 DUSNLGKAGBKMET-NSHDSACASA-N 355.460 1.663 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306129252 HYNPGKQXEIFZMA-MGPQQGTHSA-N 350.440 1.132 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)N(C)CC(C)(CO)CO)cc1 89978041 STQJRGBELNBJNM-JXMROGBWSA-N 350.415 1.718 0 40 FDAB COC(=O)[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)(C)C 72310376 NLUWYWQWGWGYBK-CYBMUJFWSA-N 365.821 1.697 0 40 FDAB CN(C(=O)NCCN1C(=O)CCC1=O)C1CCN(Cc2ccccc2)CC1 73219762 NIRWFAJFDXEFFY-UHFFFAOYSA-N 372.469 1.441 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)c1ccc(Br)o1 20479750 HKXUFIBIJXJSNP-VVJJBPBLSA-N 365.183 1.884 0 40 FDAB O=C(c1ccncc1)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306133480 MMWJNPZBZQLUPA-OAQYLSRUSA-N 373.416 1.888 0 40 FDAB COc1cccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)c1 20614884 LKMTYGSJMNGMBO-UHFFFAOYSA-N 358.398 1.085 0 40 FDAB O=C(CN1CCN(C(=O)c2sccc2-n2cccc2)CC1)N1CCCC1 32239797 UTCHWBZLHKPDTK-UHFFFAOYSA-N 372.494 1.919 0 40 FDAB CC(C)[C@H]1NC(=O)N(CC2=N[C@H]3[C@@H](C=NN3c3ccccc3)C(O)=N2)C1=O 36580035 VKTFYZZYQLGMTA-BPLDGKMQSA-N 368.397 1.380 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCN(C)C)cc(C)c21 71195936 PAPBBQWNWXRVMS-UHFFFAOYSA-N 367.515 1.869 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@H](c2ccccc2)n2cccc2)CC1 70636906 CCTQQDXGDTZYGQ-OALUTQOASA-N 367.449 1.927 0 40 FDAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccn3)on2)O[C@@H]1CNC1CCNCC1 77263113 ATXODTKISZYIKL-XKGZKEIXSA-N 372.469 1.529 0 40 FDAB biogenic,in-vitro COC(=O)c1sccc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1 70972172 NUNGOYFAAMFCIT-UHFFFAOYSA-N 361.441 1.308 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)c[nH]2)CC1 42384351 JULGJEWQUOAZEQ-UHFFFAOYSA-N 351.403 1.538 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@@H]2CCCO2)c1 47156886 SQXZREGCYKNICC-ZDUSSCGKSA-N 370.471 1.635 0 40 FDAB C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C[C@@H](C)O1 40039859 LOKYPKOGDUUIIX-ZIAGYGMSSA-N 373.906 1.816 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2OC)c1 225142491 GKBPOYZRNPNDEG-UHFFFAOYSA-N 365.407 1.839 0 40 FDAB O=C(O)CNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 40309210 CUZUEARWWRHNBN-UHFFFAOYSA-N 363.373 1.832 0 40 FDAB biogenic O=C(Nc1ccc2c(c1)OCO2)N1CC(c2nc(-c3cnccn3)no2)C1 49486011 MRZQYQKZZHREAW-UHFFFAOYSA-N 366.337 1.887 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCSc2ncn[nH]2)cc1Cl 223009245 IPEWBNWAXMWBFC-UHFFFAOYSA-N 362.864 1.927 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)CC1 223739784 QSPYKVDLWUMCBP-UHFFFAOYSA-N 357.501 1.693 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96066150 BNDOLAZRXDDEEZ-GVDBMIGSSA-N 353.426 1.214 0 40 FDAB Cc1ccc(OCC(=O)N2CCOCC2)c(-n2nc3ccccc3n2)c1 96191762 OHBLQLLZSUNLDL-UHFFFAOYSA-N 352.394 1.967 0 40 FDAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(C)C)cc1 96081244 XEMVNHOPHUXCQC-IRXDYDNUSA-N 366.483 1.820 0 40 FDAB CNC(=O)[C@H]1CC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96241629 ZLPWLWIYTLEZAM-ZDUSSCGKSA-N 356.451 1.945 0 40 FDAB COc1cc(=O)n(CC(=O)NCCCn2ccnc2)nc1-c1ccccc1 96184163 CBBGHBRCYGEWLS-UHFFFAOYSA-N 367.409 1.322 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3ccno3)CC2)CN1c1ncccn1 96240398 KBUHKULJKFXASE-CQSZACIVSA-N 357.414 1.612 0 40 FDAB Cn1cc(N2C[C@]3(COCCN(Cc4ccc(F)cc4)C3)OCC2=O)cn1 96051432 CQYIYFMRVGFGSK-LJQANCHMSA-N 374.416 1.194 0 40 FDAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1cncc(CNC(C)=O)n1 257219051 DFLCPTHAFGUAIM-MRXNPFEDSA-N 357.414 1.949 0 40 FDAB COCC(=O)N1CC[C@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257270052 MSPBHZNJZFEMHS-GFCCVEGCSA-N 356.382 1.274 0 40 FDAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C1(S(C)(=O)=O)CC1 585082412 PNKDBRFBGPQZSR-CYBMUJFWSA-N 364.467 1.505 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCn2c(Br)cnc2C1 1632928967 SYQWMSFZUGYOPG-UHFFFAOYSA-N 361.203 1.433 0 40 FDAB CN1CC[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)cc2)S1(=O)=O 648229880 USRQLLRZTIAVGC-LBPRGKRZSA-N 366.361 1.278 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)cn1 607048716 JZNYSEUNHSUNMM-SFHVURJKSA-N 352.438 1.728 0 40 FDAB Brc1cnc(OC[C@@H]2CCCN(CCn3ccnn3)C2)nc1 1775996025 RMCVWKSBKLJLIK-GFCCVEGCSA-N 367.251 1.622 0 40 FDAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 390827979 MVKCXWHYEBLBAP-HNNXBMFYSA-N 358.423 1.807 0 40 FDAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)Cc1cc(F)ccc1F 575607893 KZQKYNTXOWQZBA-UHFFFAOYSA-N 369.393 1.519 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1=O 585107120 PRROERGYQHXPDT-FXAWDEMLSA-N 352.438 1.437 0 40 FDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)cc1 585262410 RKPDMPYLIBWOMM-ZRNYENFQSA-N 370.449 1.936 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc2[nH]ccc12 585294732 IOBVGWWAIIJRGK-JSXRDJHFSA-N 352.434 1.678 0 40 FDAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)Cc3ccccn3)CC2)C1 585101319 XZBBINLVMDXDGR-UHFFFAOYSA-N 356.426 1.430 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3ccc(C)nn3)C2)c1 585277500 MJYWSBUIUSDFBE-LJQANCHMSA-N 357.410 1.376 0 40 FDAB O[C@H]1[C@H](NCc2cnc3ccccc3c2)[C@H]2CO[C@H](O2)[C@@H]1N1CCCCC1 12489837 UWRVWIGRLKRDSI-SSSFQFABSA-N 369.465 1.664 0 40 FDAB biogenic,in-vitro O=C1[C@H]2CCCN2S(=O)(=O)c2ccccc2N1CCN1CCCCC1 13267360 ANRBGRRGVGZVDL-MRXNPFEDSA-N 363.483 1.672 0 40 FDAB CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)NC1CC1 19767263 PKDBULVKTAKMCO-INIZCTEOSA-N 359.474 1.683 0 40 FDAB CNc1cccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)n1 643550966 AIGLNMUGSPRGSY-WRWLIDTKSA-N 353.422 1.883 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(c4nc5ccc(F)cc5o4)C[C@H]3C2)cc1=O 1888888180 NPYUWLXWKYICGZ-PHIMTYICSA-N 371.372 1.339 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)ccc1F 1888903897 REGVSVZRLSQBPG-STQMWFEESA-N 367.388 1.175 0 40 FDAB CNC(=O)c1cc2n(n1)CC1(CCN(Cc3ccnc(OC)c3)CC1)OC2 1775961999 MXDOJHYMZGCLRU-UHFFFAOYSA-N 371.441 1.211 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(Cc5c(C)noc5C)C[C@H]4C3)nn12 2087043862 ULEODNZCKJTHOC-GJZGRUSLSA-N 367.457 1.860 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565553930 MYSUUSRRBKVCSU-UHFFFAOYSA-N 352.385 1.227 0 40 FDAB Cc1nocc1C(=O)N1CC[C@@]2(CN(C)C[C@H]2COCc2ccccn2)C1 1565541967 GPKUYIDQLGOOBT-OXJNMPFZSA-N 370.453 1.989 0 40 FDAB CC(C)CN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148079 XOZPHTRLWPIBGR-UHFFFAOYSA-N 366.425 1.314 0 40 FDAB COc1cccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c1 16960448 HVRRZQIKVLUHSP-UHFFFAOYSA-N 353.382 1.417 0 40 FDAB Cc1ccc(OCC(=O)N2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771644 OIZLPFQDQDGOGF-HXUWFJFHSA-N 370.453 1.676 0 40 FDAB O=C(NCCCN1CCc2ccccc21)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40080473 KMCTUFNVVMPGDH-CQSZACIVSA-N 369.387 1.966 0 40 FDAB C[C@H](CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)Cn1cccn1 50151713 SNTNGULXTDMHNR-ZIAGYGMSSA-N 364.471 1.983 0 40 FDAB COc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)c1 32088517 HXYGZJLSJSUARB-CYBMUJFWSA-N 352.398 1.988 0 40 FDAB COc1cc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2cc1OC 20761182 ZHNXYLDNTCDYQT-UHFFFAOYSA-N 367.405 1.773 0 40 FDAB biogenic Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)CC(O)=N2 20720960 IIGPOLFRZOGCJE-JTQLQIEISA-N 364.199 1.970 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccn1 71333720 BNGIECIOMRVCRH-CQSZACIVSA-N 354.414 1.335 0 40 FDAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)N1CCC2(CC1)OCCO2 52532763 YCDWFAMBWVGOJY-QGZVFWFLSA-N 364.417 1.565 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420706 RQZAKLPXGJTNNF-YGTYGHESSA-N 362.401 1.803 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C2)n1 54122095 QZVHVMJBAVIRLW-GFCCVEGCSA-N 364.352 1.792 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 55345095 OSZIMZHGKNWYFU-YOEHRIQHSA-N 371.437 1.855 0 40 FDAB COc1cccc(CCC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1OC 23640991 VOVAFJGTUXUHMG-QGZVFWFLSA-N 362.470 1.960 0 40 FDAB O=C(CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 54649984 APWLUKXZOPXZDK-JTQLQIEISA-N 359.835 1.012 0 40 FDAB O=C([C@H]1CC=CCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24032144 JSRIOKKAJRSIRZ-HNNXBMFYSA-N 352.438 1.924 0 40 FDAB O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cccnc1-n1cncn1 47123100 KVHBWOIAFXTOBG-UHFFFAOYSA-N 360.377 1.363 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)cnc12 106136231 LQTGMLRULLWKLO-ZBFHGGJFSA-N 356.470 1.942 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)NCC(F)(F)F 24902248 OQQNUVSRCSVQNE-JTQLQIEISA-N 374.388 1.973 0 40 FDAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCOC(C)(C)C3)n2)c1 61719883 UBWLMXMLTLAXSV-HNNXBMFYSA-N 371.437 1.993 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)SC)CC2)c(OC)c1 56027175 VKBQUGZRESYZKH-LBPRGKRZSA-N 352.456 1.740 0 40 FDAB COc1cc(C[C@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 1667453 ZITBJWXLODLDRH-VBKZILBWSA-N 374.389 1.804 0 40 FDAB endogenous,in-man O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCCCCC1 35310598 JDDYAAWTJQZFGN-UHFFFAOYSA-N 369.469 1.723 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 24792925 KFVARADOVRSTCX-UHFFFAOYSA-N 371.422 1.569 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc2ncccc12 58266423 SRWIGIPESYSDQY-AWEZNQCLSA-N 366.464 1.904 0 40 FDAB CC(C)CNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 44903543 XXKJSBPFFXLYCN-UHFFFAOYSA-N 369.469 1.342 0 40 FDAB Cc1nnc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)s1 48346231 MHPBANZIYSIFKH-UHFFFAOYSA-N 365.440 1.380 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3451001 COYSQEKEPGGBEQ-IUODEOHRSA-N 358.394 1.521 0 40 FDAB CCOCCCNC(=O)[C@H](NC(=O)c1cnccn1)c1ccc(C)cc1 3626124 RJOOCIVIBNWMLA-QGZVFWFLSA-N 356.426 1.799 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCC(=O)Nc1ccc(F)cc1 13020978 FGXYCSXZZSFTBG-WFASDCNBSA-N 364.421 1.758 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 13147217 VFVGBVPQAQRPJT-UHFFFAOYSA-N 374.466 1.229 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)NCCCOCc1ccccc1 13985302 CWWHSFDASHYNRE-UHFFFAOYSA-N 352.394 1.515 0 40 FDAB C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 65567065 UERSXIKCSSFIEC-IBGZPJMESA-N 372.425 1.001 0 40 FDAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCCC1 6587633 QDKMVSCGQHPZPO-UHFFFAOYSA-N 369.512 1.971 0 40 FDAB Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1S(=O)(=O)N1CCCC1 8755275 YDIPPOVWUDQZCJ-UHFFFAOYSA-N 369.468 1.521 0 40 FDAB Cc1nc(-c2ccccc2)n(CC(=O)NC2CCCC2)c(=O)c1CCO 67300193 REZCEEIKKHYRPZ-UHFFFAOYSA-N 355.438 1.812 0 40 FDAB CCCC12CN3CC(CCC)(CN(C1)C3c1[nH]c(=O)[nH]c(=O)c1C)C2=O 19323541 CVXVURTZBRHGSZ-UHFFFAOYSA-N 360.458 1.157 0 40 FDAB biogenic CCCN(C(=O)CSc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 7814424 OSOMRCQNFSPACP-GFCCVEGCSA-N 368.484 1.247 0 40 FDAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 8186644 DWGTWBWJVVGXFE-UHFFFAOYSA-N 357.410 1.413 0 40 FDAB CCOc1cc2c(cc1CNC(=O)CSc1nnnn1C)O[C@H](C)C2 8100732 QSQXEFWOZJOTLG-SNVBAGLBSA-N 363.443 1.341 0 40 FDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ncccn2)CC1 8112952 WQMITXAOGQQHQS-UHFFFAOYSA-N 351.410 1.566 0 40 FDAB COC(=O)c1ncsc1S(=O)(=O)Nc1cccnc1-n1cccn1 97085148 ZAPRACBDBURTCC-UHFFFAOYSA-N 365.396 1.311 0 40 FDAB CS(=O)(=O)CC1(CC(=O)Nc2cc(Br)c[nH]c2=O)CC1 97212751 LCMIECVTICPDPA-UHFFFAOYSA-N 363.233 1.291 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)c4ccnnc4)[C@@H]3CC2)[nH]n1 306144835 ZPUMKVWJYWQAHB-CZUORRHYSA-N 354.414 1.275 0 40 FDAB CCOC(=O)c1cn([C@@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)nn1 38534521 DUKVLBYVDIGTBA-KOLCDFICSA-N 354.363 1.090 0 40 FDAB COCC(=O)N1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 527730054 ZQYLEIFEUSQAQP-QGZVFWFLSA-N 366.506 1.330 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355140 HGEAQABILSIRGN-INIZCTEOSA-N 366.531 1.607 0 40 FDAB CCOC(=O)N1CCN(C(=O)COc2cc(OC)cc(OC)c2)CC1 218887114 VOOGDQIGFOFQEC-UHFFFAOYSA-N 352.387 1.383 0 40 FDAB CN(C)C[C@@H]1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 187816125 KJCUDQKDMSKJTD-AWEZNQCLSA-N 365.453 1.150 0 40 FDAB Cn1c(CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 74052845 LVMAGJBMMKYCHR-OAHLLOKOSA-N 364.453 1.939 0 40 FDAB OC[C@@H](NCc1nnnn1C1CCOCC1)c1ccc(C(F)(F)F)cc1 564401687 YUSMKVYKJURSKS-CQSZACIVSA-N 371.363 1.867 0 40 FDAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 224314096 GEGQYVSGRKGXGD-UHFFFAOYSA-N 365.434 1.193 0 40 FDAB O=C(NCCc1nnc2n1CCCCC2)N[C@H]1COc2ccccc2C1 45385021 AZZPSEIEJXCWDR-OAHLLOKOSA-N 355.442 1.850 0 40 FDAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCN1CCOCC1 223126686 ZZQKIMIVRWNTQJ-SJORKVTESA-N 357.483 1.714 0 40 FDAB O=C(N[C@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1csnn1 96242836 VSKKRBGUYWIDNP-AWEZNQCLSA-N 374.466 1.619 0 40 FDAB COc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1 95480251 SOSGZEYDUUBRPD-CYBMUJFWSA-N 355.398 1.439 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)c1cccc(OCc2nnnn2C)c1 96193035 XPDXNSODXFAZKJ-UHFFFAOYSA-N 355.402 1.069 0 40 FDAB CC(C)NC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 248076052 ZDXSZWLGRYUQOI-CQSZACIVSA-N 356.426 1.773 0 40 FDAB CNC[C@H]1CC[C@H](c2cc(CN(C)S(=O)(=O)N(C)C)n(C)n2)CC1 257313776 UUCPRMIRSOJFOH-HDJSIYSDSA-N 357.524 1.152 0 40 FDAB Cc1ccccc1CC(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257287211 POYWNHFNQCXUOP-HXUWFJFHSA-N 354.454 1.817 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)C[C@H]1C(F)(F)F 262968783 JRVUGMJEJHHZGN-VXGBXAGGSA-N 370.331 1.781 0 40 FDAB COCCN1C(=O)C[C@H](CNc2ncncc2Cl)[C@H]1c1cnn(C)c1 664114430 DAGVNMKGTHZWFM-ABAIWWIYSA-N 364.837 1.512 0 40 FDAB COCCOc1ncccc1NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 665963870 IWHIXDUHBFIGSM-NEPJUHHUSA-N 357.432 1.194 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCCn2cc(C)cn2)[C@H]1c1ccnn1C 668868093 HGEYHBNAJFCQEI-YOEHRIQHSA-N 358.446 1.041 0 40 FDAB Cc1[nH]c2nc(C(=O)N3CCN(c4ccccc4)CC3)nn2c(=O)c1Cl 100486577 PBSRFFYDLKLCSY-UHFFFAOYSA-N 372.816 1.342 0 40 FDAB NC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 585173213 BNXDAHKZUYREBS-UHFFFAOYSA-N 366.352 1.787 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)CCn2c(C)csc2=O)ccn1 47014062 SNNHRCUHJQCWLF-UHFFFAOYSA-N 357.439 1.814 0 40 FDAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc[nH]1 49592476 WQMOGFADPKJNGM-UHFFFAOYSA-N 362.407 1.972 0 40 FDAB COCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)[C@@H]2C)cc1C 578725880 VTACWYPWUGCIQX-ZFWWWQNUSA-N 371.455 1.894 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157563 LCUCMHLGDNOVCZ-LJQANCHMSA-N 370.384 1.654 0 40 FDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3cc(C)c(O)c(C)c3)CC2)n1 12187748 WBZXGKKVSKQOTG-UHFFFAOYSA-N 357.454 1.901 0 40 FDAB C[C@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N1CCCc2ccccc21 14242653 ZVNBITUYIZKHGE-ZDUSSCGKSA-N 359.426 1.688 0 40 FDAB O=C(NCCCn1cccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 19659939 YTARWLRHPFOMPQ-AWEZNQCLSA-N 370.409 1.214 0 40 FDAB Cn1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C2CCOCC2)n1 644357728 PHEWFRPJZHOWSQ-OAHLLOKOSA-N 359.430 1.052 0 40 FDAB CCc1cc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)ncn1 1888890818 NVGRQKIPUZXPAA-UHFFFAOYSA-N 364.457 1.958 0 40 FDAB Cc1ncc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C2CC2)n1 1116899517 CWZFCFKEDLUTSK-MRXNPFEDSA-N 357.458 1.217 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)n1 253537668 CVGFWXSKXWFGGK-UHFFFAOYSA-N 369.381 1.324 0 40 FDAB Cc1nnc2sc(SCC(=O)N3CCc4ccccc43)nn2c1=O 4338828 YTWVBZBHIPFFQN-UHFFFAOYSA-N 359.436 1.536 0 40 FDAB COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941594 BTWUMZXYGBYBHP-LLVKDONJSA-N 360.439 1.709 0 40 FDAB O=c1ccn(Cc2nnc(SCc3nc4ccccc4[nH]3)o2)c(=O)[nH]1 17205260 QLUSWBMTAHBQAT-UHFFFAOYSA-N 356.367 1.137 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2csc(C)n2)CC1 2055782087 JBVKVOAWGWZTNE-UHFFFAOYSA-N 363.487 1.402 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20052057 QJKHQGWBQCVPJU-RYUDHWBXSA-N 366.414 1.538 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC[C@@H]2C)cc1 36394557 YMPPSWGTIPVOBN-ZDUSSCGKSA-N 352.456 1.911 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1C 51161267 HCGTYXVJZGENJJ-CQSZACIVSA-N 366.483 1.991 0 40 FDAB COc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 6298291 VJVPBFHLGGGYFM-UHFFFAOYSA-N 365.436 1.469 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc2c(c1)OCO2 6786643 RQDDELOHHXEHCJ-UHFFFAOYSA-N 364.379 1.001 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 32675825 FZSUFLAQJHLVHQ-UONOGXRCSA-N 362.401 1.980 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC(C(=O)OCC)CC2)n1 18063906 CGWKZHQHNPVJSB-UHFFFAOYSA-N 367.471 1.616 0 40 FDAB COc1ccc(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 32764898 DKZUWGZDSPCPEN-UHFFFAOYSA-N 353.378 1.928 0 40 FDAB COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 100872998 BVEFMEWBYKUNLX-VKAVYKQESA-N 371.484 1.470 0 40 FDAB COC(=O)c1cc(CNC(=O)c2cnc3ccccn3c2=O)ccc1OC 32894847 YWTBHAJSAQGUOD-UHFFFAOYSA-N 367.361 1.420 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1[nH]c(CC)c(C(=O)OC)c1C 9428763 LZAFJHJXZTUMGE-SECBINFHSA-N 353.375 1.063 0 40 FDAB O=C(Cc1nc2ncccn2n1)N1CCN(CCc2ccccc2)CC1 32926780 XGZZDTWKONPKGK-UHFFFAOYSA-N 350.426 1.054 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 25911146 FDLHARAYBPXFEH-UHFFFAOYSA-N 352.438 1.936 0 40 FDAB Cc1ccc([C@@H](C)NC(=O)CN2CCC(NS(C)(=O)=O)CC2)cc1C 54146185 FGLREJGWMHSCTB-OAHLLOKOSA-N 367.515 1.494 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C)no1 23183381 WINQDWOJFQMNGL-CYBMUJFWSA-N 351.428 1.650 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(N2CCOCC2)ccn1 23731491 KZZBYNRZALENEK-UHFFFAOYSA-N 369.421 1.662 0 40 FDAB CN(CCCNS(C)(=O)=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106574808 BLNFMKJPYWYLMH-KGLIPLIRSA-N 367.298 1.823 0 40 FDAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 25053919 SJLSBEYUQRUBQZ-QGZVFWFLSA-N 367.369 1.234 0 40 FDAB CN1CCN([C@H](NC(=O)OC[C@H]2CCCO2)C(Cl)(Cl)Cl)CC1 26779982 YXLQXNFQHITSNL-MNOVXSKESA-N 374.696 1.835 0 40 FDAB COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)[nH]2)cc1 57521037 DOXXRMZTWDKYSM-UHFFFAOYSA-N 358.423 1.977 0 40 FDAB CN(C)CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1826798 LZCUMWDMGKNNJY-GOSISDBHSA-N 365.433 1.572 0 40 FDAB NC(=O)COc1cccc(COC(=O)c2cc(Br)c[nH]2)c1 58202012 AYHCAWFKPSDVTN-UHFFFAOYSA-N 353.172 1.998 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCc2cc3ccccc3[nH]2)CC1 58203351 WPRFBJZHUKKMOU-UHFFFAOYSA-N 364.471 1.781 0 40 FDAB CCN(CC)C(=O)N1CCN(C(=O)Nc2cnn(CCOC)c2)CC1 47876423 MCHOGUKEMGWKDW-UHFFFAOYSA-N 352.439 1.141 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC)nc2)CC1 48018304 CXJGQGVUMKMQMC-UHFFFAOYSA-N 356.448 1.416 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 12985673 SOVLIOPPQGBEAF-HNNXBMFYSA-N 368.389 1.343 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC2(Cl)Cl)cc1 6084491 TVXDKANSSUWJLO-JTQLQIEISA-N 351.255 1.861 0 40 FDAB Cc1sc2ncn(CC(=O)NC(=O)NCc3ccco3)c(=O)c2c1C 6111001 HVKPVAOHUOQIRK-UHFFFAOYSA-N 360.395 1.694 0 40 FDAB CN1CC(=O)N(CCCC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O 14231536 CMCRXDNRCHFTIV-UHFFFAOYSA-N 358.398 1.192 0 40 FDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCSc2ccccc21 6509916 LXIMSOXMPUGUKY-UHFFFAOYSA-N 373.434 1.859 0 40 FDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 6670309 RYEWDJAJUXUSKK-UHFFFAOYSA-N 352.412 1.176 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1C(F)(F)F 7198622 XUCLKSHCQMASTN-UHFFFAOYSA-N 359.333 1.664 0 40 FDAB CCOc1c(F)cccc1C(=O)NC1CCN(CC(=O)N(C)C)CC1 80180923 VENIEPIQMHUCKF-UHFFFAOYSA-N 351.422 1.507 0 40 FDAB CS(=O)(=O)c1ccc2nnn(OCCOc3cccc(Cl)c3)c2c1 8719590 NZLSLIXZOXQHMU-UHFFFAOYSA-N 367.814 1.996 0 40 FDAB COc1ccc(NC(=O)CSCC(=O)N2CCC(C(N)=O)CC2)cc1 9184150 KGWXOCUGPMGWDV-UHFFFAOYSA-N 365.455 1.091 0 40 FDAB CC(C)N1C[C@]2(CCN(C(=O)C3CC3)C2)Oc2ccccc2S1(=O)=O 306134590 NSULSNTUVIAQCB-GOSISDBHSA-N 364.467 1.859 0 40 FDAB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C1C(=O)NC(=S)NC1=O 9332379 WULPNIUGVDALBI-VIFPVBQESA-N 369.446 1.912 0 40 FDAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1 19820907 UGFBROGLNGBWAB-CVEARBPZSA-N 357.497 1.284 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(Cc1cnn(C)c1)C2 306129377 IBPKRYKGKNNNGL-QGZVFWFLSA-N 355.486 1.928 0 40 FDAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)C1=COCCO1 62022984 YZOLRCYCISVUAT-LLVKDONJSA-N 356.338 1.417 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)c(F)c1 547881079 AWZVJGUANFTVMF-LBPRGKRZSA-N 352.387 1.751 0 40 FDAB C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-n2cccn2)ccc1=O 70640948 BLFHCACZWBCLFM-ZDUSSCGKSA-N 371.372 1.152 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)N2CCc3ccccc32)Oc2ccccc21 30946986 WZARWFAKPFRDLO-QGZVFWFLSA-N 358.419 1.803 0 40 FDAB CCN(CC)CCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71196017 HORMDHBZEMCDGO-UHFFFAOYSA-N 353.488 1.845 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3cnccn3)C2)ccc1F 225797611 AYMAVGJFLWHNPN-SNVBAGLBSA-N 367.358 1.156 0 40 FDAB COc1ccc([C@@H](CC(=O)NCc2cccnc2)NS(C)(=O)=O)cc1 225955063 KOLDMRIFQFTERZ-MRXNPFEDSA-N 363.439 1.387 0 40 FDAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCCSc4ncn[nH]4)cn1c23 225861624 MSNPBAJQKCCOBE-SNVBAGLBSA-N 355.423 1.759 0 40 FDAB O=C(O)[C@H](Cc1ccc(I)cc1)N1CCOCC1 225144814 DMORDPLOLBDYQL-LBPRGKRZSA-N 361.179 1.619 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1C 224203379 HQTHGROOIURIJV-UHFFFAOYSA-N 362.455 1.872 0 40 FDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96215341 HYLODRNGBFVRFZ-MRXNPFEDSA-N 371.528 1.313 0 40 FDAB O=C1CC[C@@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C(=O)N1 576639121 IZXSVPICMZYPOQ-NWDGAFQWSA-N 351.200 1.400 0 40 FDAB O=C(COC[C@]12COC[C@H]1CN(Cc1cccs1)C2)N1CCCC1 96108801 QDIJZRZEWQYLNF-QAPCUYQASA-N 350.484 1.836 0 40 FDAB CS(=O)(=O)c1ccc2ncn(Cc3nnc4n3CCCCC4)c(=O)c2c1 576792891 YZPCXHDSOKQDKC-UHFFFAOYSA-N 373.438 1.166 0 40 FDAB COc1cc2c(c(OC)c1OC)CN(c1ncnc3c1cnn3C)CC2 96361326 KHTMKSDPVUCABT-UHFFFAOYSA-N 355.398 1.952 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2)NCC1CC1 96206284 MBMSLBASMJRUQT-UZLBHIALSA-N 358.438 1.780 0 40 FDAB C[C@H]1CCn2ncc(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)c2C1 578510999 GFBVPZZDBZCJLV-LBPRGKRZSA-N 370.409 1.461 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(S(=O)(=O)C4CC4)C3)C2=O)n1 96048831 GRPCUSDQCGKVRM-GOSISDBHSA-N 363.483 1.697 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1CN(C(=O)Cc1ccccn1)CC2 96253870 NCHGLHXNDWTTNA-UHFFFAOYSA-N 353.426 1.144 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1CCOC 96261660 YABCUMZSJSJNHW-ZRGWGRIASA-N 357.458 1.667 0 40 FDAB O=C(CC1CC1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 247872527 RKHQLCICKREFSX-CQSZACIVSA-N 350.440 1.276 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)OC[C@]1(C)O 257290244 QCDKOFBPPUGTDT-RDJZCZTQSA-N 354.397 1.699 0 40 FDAB CCc1noc(CCC(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257324197 WNQUTMRFUVPQQW-SPYBWZPUSA-N 359.426 1.994 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C[C@H]3CCOC3)C2)c2cccnc21 253489460 FHSZIBHPEQJNMR-HZPDHXFCSA-N 357.458 1.393 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)[nH]n1 257205043 AXJZCXDSYHEGKT-IBGZPJMESA-N 364.490 1.397 0 40 FDAB Cn1nc2c(c1S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C3CC3)C1)CCCC2 634652996 FBKNTZFIEZTIHO-QWHCGFSZSA-N 353.444 1.030 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCCc2ccccn2)[C@H]1c1ccnn1C 665136762 FYFYVQIDORZDSC-YJBOKZPZSA-N 355.442 1.474 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 36593339 RQFDUHWQJFYRPF-BZNIZROVSA-N 358.398 1.637 0 40 FDAB biogenic C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096099 QQQHDRYOTUMUEB-WQVCFCJDSA-N 358.467 1.843 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112061 KOTUYDSGBOIZSO-OAHLLOKOSA-N 354.863 1.643 0 40 FDAB Cc1cccc(N2CCC(O)(CN3C[C@H]4C[C@@H](O)CN4C[C@@H]3C)CC2)c1 585285415 YKEVTFOPGHIJID-DFQSSKMNSA-N 359.514 1.466 0 40 FDAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 585110091 HWBJQWCNEAXBQP-HOCLYGCPSA-N 368.437 1.301 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)C1CC1)CCO2 585102457 UPRBSHVJJXBFGJ-HNNXBMFYSA-N 361.442 1.971 0 40 FDAB Cc1c(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cnn1C1CCCCC1 685942455 QKEIHSGDRHXCRG-DLBZAZTESA-N 359.430 1.996 0 40 FDAB Cn1c(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)nnc1C1CC1 500425192 NFWGDWAPAICNPJ-QAPCUYQASA-N 352.442 1.682 0 40 FDAB CC(=O)N1CCC(N2CCO[C@](CO)(Cc3ccc(F)cc3)C2)CC1 1615190362 HAFBISFWNSBABY-LJQANCHMSA-N 350.434 1.442 0 40 FDAB CN1C(=O)C[C@H](C(=O)N2CCc3c(O)cccc3C2)[C@H]1c1nccn1C 1615588025 BJBCKFFHFQWFNJ-YOEHRIQHSA-N 354.410 1.230 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 5000111 LCIOSHXOJKNSGH-UHFFFAOYSA-N 353.334 1.068 0 40 FDAB O=C1NC[C@]2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)Oc2ccccc21 12086766 MJSNAPHVMADXDL-SFHVURJKSA-N 374.828 1.720 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)CC1 12729903 DNCHKPUCKFFKKA-DLBZAZTESA-N 366.483 1.035 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)c2cccnc2n1 13228041 IGWPNOCVTBWZPR-KGLIPLIRSA-N 374.466 1.474 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16576575 WWCIWRDAXHDRFK-ZDUSSCGKSA-N 370.471 1.437 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19239893 VALVSZQVODDBEA-HNNXBMFYSA-N 364.409 1.353 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1ccccc1OC 19500809 NMLBEPAFAIBCIS-QCUYGVNKSA-N 360.410 1.282 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CC=CNC3=O)C2)cc1F 19559632 LPWMRLKSXFLRTJ-MRXNPFEDSA-N 354.403 1.639 0 40 FDAB COc1ncnc(N(C)C)c1NC(=O)c1cn(-c2ccc(C)cc2)nn1 152956006 NEWYZZDWHCYOLU-UHFFFAOYSA-N 353.386 1.693 0 40 FDAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)sc2C1 13789877 HURJRUZMRSZIAK-GHMZBOCLSA-N 357.501 1.878 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]4C3)n1)CCC2 1888856561 VRQXSNOFBLAGFS-HOTGVXAUSA-N 356.470 1.595 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCC(c2ccco2)c2ccco2)CC1 1888926490 KDMHOWORNWVONM-UHFFFAOYSA-N 366.439 1.792 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)/C=C/c2cnn(C)c2)c1 25728217 JQGLQEJYGVJUTR-VOTSOKGWSA-N 362.455 1.145 0 40 FDAB O=C(Cc1cccnc1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978230 JRBXIWDBJNVYER-OAQYLSRUSA-N 365.433 1.906 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(Cc5c(C)noc5C)C[C@@H]4C3)nn12 2087043863 ULEODNZCKJTHOC-HUUCEWRRSA-N 367.457 1.860 0 40 FDAB CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 2620099 UBRKGGCGVQEHIF-UHFFFAOYSA-N 350.415 1.805 0 40 FDAB COc1ccc(CCNC(=O)c2cc3cccnc3n(C)c2=O)cc1OC 5303563 BCGKZZDYUZQDEE-UHFFFAOYSA-N 367.405 1.923 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 6571803 IXBOUVNRBGHKAS-LBPRGKRZSA-N 367.409 1.274 0 40 FDAB COC(=O)c1ccc2oc(=O)c(-c3nc(-c4nonc4N)no3)cc2c1 9431207 RYZKEYPDQKOSJP-UHFFFAOYSA-N 355.266 1.262 0 40 FDAB COc1cccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)c1 10251111 PEALUFLHDXMUSS-UHFFFAOYSA-N 361.361 1.975 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccn1C)N(C)C 11897916 PNHFUEDDUZITRT-HNNXBMFYSA-N 351.472 1.923 0 40 FDAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2c1=O 12427748 FNSWSORGRHTMSS-UHFFFAOYSA-N 371.418 1.368 0 40 FDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)nc1 2055772931 YTYAYEKZIAVVMI-ZDUSSCGKSA-N 354.410 1.805 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38490299 LLSLBQBUDZLNDZ-IAGOWNOFSA-N 351.406 1.463 0 40 FDAB COc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cn1 40122801 URALMPCTFPJOCS-UHFFFAOYSA-N 352.350 1.300 0 40 FDAB COc1ccccc1C(=O)NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 15940453 LDNUOIZCIWBEDT-PBWFPOADSA-N 373.405 1.890 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(N)s2)cc1 7534766 UADJZDRQBSZTEV-UHFFFAOYSA-N 351.457 1.618 0 40 FDAB Cc1cccc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 7605531 ITCXLVXJAJWAPV-UHFFFAOYSA-N 359.382 1.438 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 32104445 IPXOFBNLMBNIHD-GFCCVEGCSA-N 365.405 1.820 0 40 FDAB CNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 8028575 IENKOPCRGZYANU-UHFFFAOYSA-N 373.434 1.621 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)no1 8036883 MMELIQHQMJWPIZ-NSHDSACASA-N 361.329 1.657 0 40 FDAB CCOC(=O)C1CCN(CNC(=O)c2ccc(OC)c(OC)c2)CC1 8816537 ZSGFZAPEVRGUAR-UHFFFAOYSA-N 350.415 1.666 0 40 FDAB biogenic,in-vitro COC1=C[C@@]23[C@@H]4[C@@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@]2(C=C1)[C@@H]3[C@@H]56 104309804 OOZBMPUTEZZCTM-PYVYYKCMSA-N 359.385 1.489 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCN1CCN(c2ccccc2O)CC1 28843800 DMMOHZHPIDKWFW-UHFFFAOYSA-N 374.466 1.703 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(OC(F)F)cc1 32689040 MEPWNHIGNLBMEM-UHFFFAOYSA-N 353.281 1.180 0 40 FDAB CN(CC(=O)Nc1ncccc1O)S(=O)(=O)c1ccc(Cl)s1 22262827 QIXYSIQTIGHSFT-UHFFFAOYSA-N 361.832 1.761 0 40 FDAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)N1CCOCC1 24747553 WFKDYKKEKDGMDQ-ZDUSSCGKSA-N 367.496 1.469 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3016010 PGPPAQKHSZMLSM-UHFFFAOYSA-N 369.425 1.312 0 40 FDAB CC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C)cc1 12551820 OJSVTQVXQOKOSP-CQSZACIVSA-N 369.425 1.010 0 40 FDAB Cc1sc2nc(-c3cccnc3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C 57423104 ZPMYENOBACQPNN-CYBMUJFWSA-N 368.466 1.634 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 306125350 CNDZKOWXGKMBOO-KRWDZBQOSA-N 371.466 1.537 0 40 FDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cn3ccccc3n2)c1 12507486 JBKQWXIPNBUYIK-UHFFFAOYSA-N 359.407 1.942 0 40 FDAB Cc1ccsc1-c1cc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)[nH]n1 58265691 JSQKBQWYMGCPJI-UHFFFAOYSA-N 359.411 1.703 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc2c(c1)CCC2 58264467 NABHPILPCNGOGF-MRXNPFEDSA-N 369.508 1.591 0 40 FDAB CCNC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 3446450 AMXSKZRNBQRLCC-UHFFFAOYSA-N 365.433 1.899 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(F)cc2)n1 8394528 GLMSIXRZQANVBY-SNVBAGLBSA-N 354.345 1.778 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 8775589 SWFJAQQINXKKOO-CQSZACIVSA-N 353.386 1.228 0 40 FDAB CC(C)(C)OC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O 49410362 VDPXUDOWWCAWNP-UHFFFAOYSA-N 356.444 1.365 0 40 FDAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1 65595959 CEEBEZJOOTVZFC-UHFFFAOYSA-N 357.435 1.382 0 40 FDAB CCn1c(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc21 8709748 HAYXRAXRRAXKGT-INIZCTEOSA-N 367.496 1.842 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(N2CCCC2)n1 67256834 BSGDQEDBCCRLRK-UHFFFAOYSA-N 372.425 1.637 0 40 FDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 8752996 RRSWYBRWFAFONF-AWEZNQCLSA-N 362.821 1.199 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NCCn1cccc1 71288715 CZUNIKKWYKMMIS-UHFFFAOYSA-N 369.469 1.518 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O)C(=O)O 71334893 KOQNOOXYEOJXHE-KPZWWZAWSA-N 373.409 1.534 0 40 FDAB Cc1cc(N2CCCC2)ccc1NC(=O)Cn1cnc2c(cnn2C)c1=O 9365445 SLDKAQKKIVNXQP-UHFFFAOYSA-N 366.425 1.677 0 40 FDAB COCCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408566800 GDUZDMVSIRHVLK-UHFFFAOYSA-N 371.437 1.599 0 40 FDAB O=S(=O)(C[C@H]1CCCOC1)NCc1ccnc(OCC(F)(F)F)c1 97104212 BYTFMELZZXIXRQ-LBPRGKRZSA-N 368.377 1.869 0 40 FDAB CC(C)NC(=O)CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95397709 SDYBVIAJDOQCEY-GOSISDBHSA-N 358.486 1.324 0 40 FDAB COC(=O)CCCc1nc(CN(C)Cc2nc(C(F)(F)F)no2)no1 95446872 TVPRQRHAEPELRN-UHFFFAOYSA-N 363.296 1.599 0 40 FDAB COC[C@](C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 84775669 PZIHVDGCHGGSDT-KRWDZBQOSA-N 366.439 1.620 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\c1cnn(C)c1 98053898 HJXDGHYEYOBTLG-QWPQOLDESA-N 352.394 1.815 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC2CCN(C3CC3)CC2)C1=O 73945149 IEOQIVJMWQADEF-AWEZNQCLSA-N 357.454 1.934 0 40 FDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 79145059 OFDIZOAZKLMQAQ-SJORKVTESA-N 355.442 1.348 0 40 FDAB Cc1ccccc1OCc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1 27972954 BIILLEQUOVRZBY-UHFFFAOYSA-N 369.377 1.817 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)COC)cc1C 408627031 XLZRHNOLLADKIS-CHWSQXEVSA-N 358.460 1.212 0 40 FDAB O=c1[nH]c(O)ncc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 32553928 XPPMGSDLUXEUIQ-UHFFFAOYSA-N 373.390 1.855 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)nc(C)n1 519838903 IHROBBGHJKQXAU-CXAGYDPISA-N 354.414 1.061 0 40 FDAB Cc1noc(C)c1C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 30443739 UHIRGEUGUFOQNO-UHFFFAOYSA-N 351.428 1.908 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NC1CCCCC1 35395537 LUYAVISVFRWDBA-UHFFFAOYSA-N 371.528 1.503 0 40 FDAB COc1cc(C[C@]2(c3ccccc3)NC(N)=NC2=O)cc(OC)c1OC 71975759 YERGWZYVHORXJY-LJQANCHMSA-N 355.394 1.595 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(N2CCCC2)n1 49410884 MJXSLCXJLUFELN-UHFFFAOYSA-N 356.382 1.519 0 40 FDAB COc1cccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1 224542986 BRFOCHVHBYDGTF-UHFFFAOYSA-N 356.425 1.868 0 40 FDAB C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 41334569 XDUDXDREMTWLNM-HNNXBMFYSA-N 365.499 1.495 0 40 FDAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCC1)C2 514289298 KWZKGKUOMUEAIY-RBUKOAKNSA-N 355.482 1.113 0 40 FDAB biogenic,in-vitro Cc1oncc1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221104 GWAFMDATCWECDZ-CQSZACIVSA-N 370.409 1.572 0 40 FDAB COC(=O)Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)c(Br)c1 90514040 PFKBWCQOGKNPGK-JTQLQIEISA-N 362.201 1.055 0 40 FDAB CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C(N)=O 96182122 ZJROWKHZOACWQO-UHFFFAOYSA-N 368.415 1.128 0 40 FDAB O=C(NC[C@@H](O)c1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccccc1O 97490072 WJCNYAPLTJFTPQ-SJLPKXTDSA-N 372.396 1.986 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96217726 OLDFDLUHMDAWSI-QFBILLFUSA-N 353.426 1.676 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cccnc1)C2 96230494 MEBDTNFLIIQTAX-LJQANCHMSA-N 351.410 1.040 0 40 FDAB O=C(COc1ccc(F)cc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247729918 GLKXBOFWMNAJHR-MRXNPFEDSA-N 373.384 1.834 0 40 FDAB Cn1ccnc1C(=O)NCC[C@H]1CCOC12CN(Cc1ccccc1)C2 248106225 FZTOEFAEQZXWCM-KRWDZBQOSA-N 354.454 1.831 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN(C)Cc1ccccn1 257306342 STWZGVOIRRKUMC-YOUFYPILSA-N 370.497 1.904 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)c4ccccn4)C3)ccnc12 257241297 HXNUYPXJVLFLCL-CYBMUJFWSA-N 364.409 1.504 0 40 FDAB Cc1cc(N2CCC(N(C)C(=O)CCc3ccn(C)n3)CC2)nc(C)n1 585085645 ATQGZPZYQHGNCB-UHFFFAOYSA-N 356.474 1.887 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)NC[C@H]2CCCO2)Oc2ccc(Cl)cc21 260380169 BPZKPCNSCWOUBC-RISCZKNCSA-N 374.846 1.162 0 40 FDAB O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCCS1(=O)=O)CC3 656234515 KLBTVSXPONEFMZ-OAHLLOKOSA-N 362.407 1.328 0 40 FDAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(CC(=O)O)cs2)C1 675945629 WUKNRPMIKQYZAY-MNOVXSKESA-N 353.444 1.993 0 40 FDAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(CCO)n2C)C1 1262849895 BZDZZSNJDQPXGQ-CHWSQXEVSA-N 353.467 1.480 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)C2 624080986 DRRNMMRXHZWLLQ-KYJSFNMBSA-N 359.426 1.547 0 40 FDAB CCOC(=O)c1ncn2c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 642881957 LGDQOEPVCUQEKT-GHMZBOCLSA-N 364.402 1.211 0 40 FDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2 575403469 LMSPAGMFROWVEH-CQSZACIVSA-N 373.478 1.973 0 40 FDAB CO[C@@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1Cc1ccccc1 585291273 OHFRGUSCKVLLNC-QNFQMBCCSA-N 358.482 1.981 0 40 FDAB O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)c1cnccn1 585112469 RCPJBFMBRJGTMT-AWEZNQCLSA-N 352.398 1.643 0 40 FDAB O=C(NCCC(=O)N1CCCCCC1)N[C@@H]1CCCN(c2ncccn2)C1 58332453 SQQCGXVGGCQLJR-MRXNPFEDSA-N 374.489 1.537 0 40 FDAB O=c1/c(=C\c2ccncc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 5804440 DUZXCCIHCKNACF-OQLLNIDSSA-N 356.838 1.842 0 40 FDAB CCCS(=O)(=O)N1CCC(n2nc(-c3ccoc3C)oc2=O)CC1 12184918 AIFUEKSXJRYCMY-UHFFFAOYSA-N 355.416 1.781 0 40 FDAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@H]1CCN1C1CCCCC1 12338310 OATRTJONHNYRRW-MRXNPFEDSA-N 354.458 1.932 0 40 FDAB CCOC(=O)COc1ccc(Br)cc1/C=C1\NC(=O)NC1=O 16682834 CGWRJNHWOMMWBD-POHAHGRESA-N 369.171 1.571 0 40 FDAB CCN1CCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 19527837 CJZOKMATSLDBRE-UHFFFAOYSA-N 359.879 1.270 0 40 FDAB CN(Cc1c(C2CCCC2)[nH]c2ncccc12)[C@H]1CS(=O)(=O)C[C@H]1O 19576509 RYTPYBVZVJDIRA-JKSUJKDBSA-N 363.483 1.810 0 40 FDAB COc1cc(C(=O)Nc2ccccc2CN2CCN(C)CC2)nc(OC)n1 19590071 MAHIWEJEASLDHS-UHFFFAOYSA-N 371.441 1.494 0 40 FDAB Cc1cccc(N(C)C(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1 19625534 LCHROGCFXSRVOP-UHFFFAOYSA-N 366.421 1.683 0 40 FDAB COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@H]2CCCN2C)C1 19767299 GULVRQHKOJXKSW-CYBMUJFWSA-N 371.441 1.718 0 40 FDAB COC(=O)[C@H](C[C@H](OC)c1c(O)cc2cc(C)oc(=O)c2c1O)OC 31168791 TWSUSRQZTZUYSD-RYUDHWBXSA-N 352.339 1.778 0 40 FDAB biogenic,in-vitro Cc1nc(N2C[C@H]3CN(c4ncc(Cl)cn4)C[C@@H]3C2)nc(O)c1F 1888855754 FRLRQDAHADGBBZ-NXEZZACHSA-N 350.785 1.646 0 40 FDAB CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22382164 BKPWJQAJOMDYHD-AWEZNQCLSA-N 368.455 1.527 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COCc1ccc2c(c1)OCO2 24095514 RUEHDMVCMCKPMP-SOUVJXGZSA-N 359.378 1.244 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@H](COc2ncccn2)C1 1775995309 NASUMEUCUWODLX-ZDUSSCGKSA-N 358.398 1.115 0 40 FDAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)NC[C@@H]1CCCO1 238957185 YBZJLOFAIGKCHO-NSHDSACASA-N 358.427 1.831 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565553744 DHZFVHSGZKPMAI-GBESFXJTSA-N 361.486 1.944 0 40 FDAB COCCNC(=O)C[C@H]1OC[C@H]2CN(Cc3cccc(OC)c3)CC[C@H]21 2055713454 RLTQSZXELZLSGW-BHIYHBOVSA-N 362.470 1.685 0 40 FDAB COc1ccc(-c2ncnc(N3CC(N(C)S(C)(=O)=O)C3)c2F)cc1 1775973524 IVCWWNNNYGHUMH-UHFFFAOYSA-N 366.418 1.371 0 40 FDAB O=S(=O)(NC[C@@H]1CC2(CCN(CC3CCOCC3)CC2)O1)C1CC1 503877477 KFCLDSFMBVKBGJ-HNNXBMFYSA-N 358.504 1.118 0 40 FDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc4c(c3)OCO4)c2n1 5271081 ISYJPGGQLZFXSQ-UHFFFAOYSA-N 355.354 1.279 0 40 FDAB CC(C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 40154755 UFXJNHJCJNCALU-UHFFFAOYSA-N 367.515 1.741 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)NCCCN2CCOCC2)CC1=O 40160350 FYCLKSRKKVTWTP-QGZVFWFLSA-N 359.470 1.440 0 40 FDAB C[C@H]1CCCN(C[C@@H](C)NC(=O)Cn2cnc3ccc(F)cc3c2=O)C1 55407462 UZYOWZQLPAQIFU-UONOGXRCSA-N 360.433 1.772 0 40 FDAB O=S(=O)(CC1CCCC1)NCCCN1CCN(c2ncccn2)CC1 79111916 ZWODCFKXPXUOPQ-UHFFFAOYSA-N 367.519 1.098 0 40 FDAB COc1cc2c(cc1NC(=O)CN1CCNC(=O)C1)oc1ccccc12 3540195 LMKOAPXYPNRHPN-UHFFFAOYSA-N 353.378 1.965 0 40 FDAB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccccc12 6576285 YOEMWLPRWFIQCU-INIZCTEOSA-N 352.346 1.868 0 40 FDAB CC(C)N(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 58180147 LNWWCOQPPAFMQS-UHFFFAOYSA-N 359.879 1.683 0 40 FDAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 10904341 JSLLOQPRJACXTK-MRXNPFEDSA-N 359.426 1.438 0 40 FDAB CCC(CC)NC(=O)[C@H]1CN(CCC(=O)NC(N)=O)c2ccccc2O1 58209725 VAOSXEZUMLMPQT-OAHLLOKOSA-N 362.430 1.144 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ncnc2nc[nH]c12 36393391 BHXSIFDWLNARKG-UHFFFAOYSA-N 362.296 1.749 0 40 FDAB CCSc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 101685379 KKNJSJLWHMQDPE-IUCAKERBSA-N 352.441 1.540 0 40 FDAB COC(=O)c1ccc(CCNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 29578484 LPBJZBJHIFPKDZ-UHFFFAOYSA-N 361.419 1.849 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1ccc(Cl)cc1 2616517 GQIBMUZBPRYEOG-UHFFFAOYSA-N 357.797 1.702 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2F)C1=O 3369394 OQCCZDATKGHNNT-UHFFFAOYSA-N 365.361 1.418 0 40 FDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(c2ccccc2)CC1 12324419 QULIPEQQNURXKE-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1 12437137 JMKLAMGFLWTUOH-LFIBNONCSA-N 354.362 1.667 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2 107806632 XXKPQEWUXWEPNW-CWRNSKLLSA-N 368.430 1.272 0 40 FDAB CC[C@H](C)NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506789 NADZIHDCVZNPEB-JTQLQIEISA-N 367.500 1.930 0 40 FDAB CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 48263860 SYFVGJKABIMULR-UHFFFAOYSA-N 358.847 1.484 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1 12800821 UOSZQGIKRMVIQC-UHFFFAOYSA-N 365.392 1.803 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)NC(N)=O)CC1 12979645 KXTQCAAXXBVFET-ZBFHGGJFSA-N 361.442 1.456 0 40 FDAB CCCCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6143888 OZMZIVUIZFRFLP-CYBMUJFWSA-N 369.468 1.891 0 40 FDAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(N2CCOCC2)cc1 6382883 KKMKOTBMYPVTHF-UHFFFAOYSA-N 370.438 1.920 0 40 FDAB C[C@@H](SC1=NN/C(=C2\C=CC=N2)O1)C(=O)NCc1ccc2c(c1)OCO2 14093219 BZJDVVREHCFCSB-YZWBREFASA-N 372.406 1.854 0 40 FDAB O=C(CNC(=O)c1cccc(Br)c1)NO[C@H]1CCCCO1 65623966 NWHVCTWHTQRKMY-ZDUSSCGKSA-N 357.204 1.753 0 40 FDAB O=C(O)CC1(CNC(=O)Cn2nnc3ccccc3c2=O)CCCCC1 6759964 VUDRKAPYLUVPBT-UHFFFAOYSA-N 358.398 1.333 0 40 FDAB Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c1 4971840 PYZXIYXMHPUMKL-UHFFFAOYSA-N 370.438 1.799 0 40 FDAB aggregator CC(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1ccnc1)C2 67770647 QTNLUPQORBRQOX-UHFFFAOYSA-N 359.430 1.799 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 17072877 HZLDVQHCSBTAEZ-UHFFFAOYSA-N 351.409 1.872 0 40 FDAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 17401339 KIXKIQXHSIECDO-UHFFFAOYSA-N 360.501 1.692 0 40 FDAB CCN1CCN(c2ccc(NC(=O)c3nc4nccc(C)n4n3)cc2)CC1 18892309 QFRJYVFSEMFHIU-UHFFFAOYSA-N 365.441 1.827 0 40 FDAB C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccco1 97062439 DFPJKWDKSHUUFV-NSHDSACASA-N 370.452 1.760 0 40 FDAB Cc1ccc(OCCNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 8922182 BTOZXMPPLAYGBT-UHFFFAOYSA-N 353.378 1.193 0 40 FDAB COc1cn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1=O 95475988 UZHXSLIYSUCGJI-UHFFFAOYSA-N 359.401 1.653 0 40 FDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95954959 CJVBNSPTBLLIKL-GDBMZVCRSA-N 358.438 1.794 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 75612193 IDSPBXJYHPZVNY-HOCLYGCPSA-N 364.442 1.894 0 40 FDAB O=C(Nc1nccs1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408923721 KWAYVZHWHVACTJ-UHFFFAOYSA-N 351.347 1.986 0 40 FDAB COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(COC(C)=O)O1 409288930 JTTPUMVOTROJMF-OLMMMNRUSA-N 357.362 1.067 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccccc1Cl 211102315 XWAOXRMYRZOJHS-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 36171566 RFCDGBXRRXFAPR-UHFFFAOYSA-N 373.453 1.840 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 32641347 DDXOLTLYXSKTTC-RISCZKNCSA-N 373.858 1.460 0 40 FDAB O=C(C1CCC1)N1CCN(Cc2ccccc2)C[C@](O)(Cn2cncn2)C1 72354479 NUSQEGOEHFSDFW-HXUWFJFHSA-N 369.469 1.154 0 40 FDAB O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 569239600 WFUOHCHWSGUYEI-SECBINFHSA-N 369.347 1.829 0 40 FDAB CN(C)c1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cc1 225717249 FDTQEVRTTCCNLO-UHFFFAOYSA-N 353.422 1.337 0 40 FDAB COc1ccccc1NC(=O)NCc1cc(C)nc(N2CCOCC2)n1 224229484 PQCDXJSCGSYGQE-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB CC(C)C[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCOCC1 48290506 KZIYSLRMGGFZKN-MRXNPFEDSA-N 372.469 1.260 0 40 FDAB COc1ccc(-n2cc(CNC(=O)N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)nn2)cc1 572715872 CSQXRALBTRIXBO-WNRNVDISSA-N 367.409 1.371 0 40 FDAB NC(=O)c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 575899045 PZKAJFCRRFJKMN-UHFFFAOYSA-N 358.349 1.377 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1 225090652 KQVADMDWGKYZLE-UHFFFAOYSA-N 371.528 1.239 0 40 FDAB Cn1ccnc1CN(C(=O)COC[C@H]1CCCO1)[C@H]1CC12CCNCC2 582885090 NTYFSJBNWLLWTK-CVEARBPZSA-N 362.474 1.086 0 40 FDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)nc1 96253301 UYUZMRIBIBRAGE-IXDOHACOSA-N 353.426 1.344 0 40 FDAB COc1cc(N2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)ncn1 96199849 HEORZODVOBTNJU-AWEZNQCLSA-N 356.430 1.204 0 40 FDAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514288961 HKTWJBRDIBAVAI-VQTJNVASSA-N 369.509 1.504 0 40 FDAB biogenic,in-vitro CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1nccs1)CC2 96077222 DERJJKUPNFKMOS-UHFFFAOYSA-N 371.510 1.847 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 95480835 AGJQQXVLQKMUSN-CQSZACIVSA-N 372.410 1.463 0 40 FDAB O=C(O)c1ccc(=O)n(-c2ccc(OC[C@@H](O)Cn3ccnc3)cc2)c1 257238643 HLXKDTDTOHOHLO-HNNXBMFYSA-N 355.350 1.172 0 40 FDAB CC(=O)NCC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257215548 CQQQUAHWAVAJDF-LPHOPBHVSA-N 361.417 1.444 0 40 FDAB Cc1cc(Nc2ncccn2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257343339 ZSMOZYWAOQSDBU-CYBMUJFWSA-N 362.459 1.519 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 27666875 UNSQXPIYMXCFJU-UHFFFAOYSA-N 363.395 1.780 0 40 FDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCN)CC1 257226173 FJLOMQKVHPXTPO-QWFCFKBJSA-N 361.486 1.171 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2cnc(CC3CC3)nc2)C1 626558311 WPUALPOFQOJBOD-CYBMUJFWSA-N 367.475 1.222 0 40 FDAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(OC2CCC2)cc1 629573316 FHYHNUVAVFVBHI-AWEZNQCLSA-N 368.455 1.008 0 40 FDAB Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 633900057 LUBXVOFZDSSTIL-UHFFFAOYSA-N 354.410 1.123 0 40 FDAB CCN(CC1CC1)S(=O)(=O)N1CCc2c(F)ccc(C(=O)O)c2C1 663289092 MXKQNBXJRARTGQ-UHFFFAOYSA-N 356.419 1.859 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 681944290 XIYIMHUAMCDZAC-LLVKDONJSA-N 372.780 1.253 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112186 KSPLGJPJUMIQTE-INIZCTEOSA-N 352.435 1.518 0 40 FDAB O=S(=O)(NC[C@H]1CN(CCc2ccccc2)Cc2ccnn21)C1CC1 585113057 YCIKBJSOHVVUFZ-KRWDZBQOSA-N 360.483 1.564 0 40 FDAB CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 97379336 NETJRWRCOYCBBV-CABCVRRESA-N 365.455 1.162 0 40 FDAB Cn1ncc(NS(=O)(=O)c2ccc(Br)s2)c1C(=O)O 95455632 FWXJNNRSGSQQGI-UHFFFAOYSA-N 366.218 1.743 0 40 FDAB Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)no1 1549161804 LNTFJRNITJYVNN-SFHVURJKSA-N 368.437 1.874 0 40 FDAB O=C(O)c1cnc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 1611565493 RYRUQLOGRDBVBR-FQEVSTJZSA-N 366.421 1.913 0 40 FDAB CC(C)CC(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775973924 QMTKNYICVCOPIO-UHFFFAOYSA-N 365.441 1.879 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cnccn3)CC1)CNC2=O 12225913 SBLMTGGPGIAQIW-UHFFFAOYSA-N 368.393 1.282 0 40 FDAB O=C(COc1ccccc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19373485 YGXKFQDYXPUMLN-CQSZACIVSA-N 366.425 1.098 0 40 FDAB COc1cc(C(=O)NCCCc2nc3cc(F)ccc3[nH]2)nc(OC)n1 19550347 BVEQKJQEHASHKU-UHFFFAOYSA-N 359.361 1.872 0 40 FDAB COc1cccc(CNC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)c1 19565560 OVWYCPFPLKEGSD-UHFFFAOYSA-N 370.434 1.879 0 40 FDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 19706522 NKKZWAGMBZASAC-MRXNPFEDSA-N 355.442 1.509 0 40 FDAB COc1ccc(CC(=O)N2CCn3c(nnc3[C@@H]3CCCN3C)C2)cc1 19707208 JSTQOPGFFZBLTB-INIZCTEOSA-N 355.442 1.638 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCCCC1 19766689 FGAPSFFGCMKOMZ-MRXNPFEDSA-N 373.457 1.211 0 40 FDAB CN1CCN([C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)O)CC1 22809426 COZOTGDTSMHHHS-ZDUSSCGKSA-N 370.247 1.478 0 40 FDAB CN(CC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)C(=O)C1CC1 588232304 QYBCBANZQDWZNT-UHFFFAOYSA-N 369.425 1.706 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1=COCCO1 3545495 RUIYSVISZYNBLI-UHFFFAOYSA-N 357.366 1.859 0 40 FDAB CCc1cnc(N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)nc1 1888859966 CZLDEWBXIDZSCN-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)C(C)(C)C)C[C@@H]4C3)ncnc21 1888866848 GWJPYDZDJHXSCT-KBPBESRZSA-N 372.473 1.413 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)c1C 1888869714 URZWUTPNONIMQO-ROUUACIJSA-N 372.494 1.991 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1889205669 WXBBRESEHOZJPT-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C)no1 23183384 WINQDWOJFQMNGL-ZDUSSCGKSA-N 351.428 1.650 0 40 FDAB CCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)C 3441874 YXJITQVFEYTKOF-UHFFFAOYSA-N 351.266 1.688 0 40 FDAB Cc1ccc(CNC(=O)c2nnc3n2CCCN(C(=O)CCF)C3)cc1C 1565553011 GRUDSSUVOXCDMB-UHFFFAOYSA-N 373.432 1.917 0 40 FDAB O=C(Cc1cn[nH]c1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565541619 HALBLURVDIFLRJ-KRWDZBQOSA-N 351.410 1.627 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 4314900 ACGOEFANBNJOBX-CQSZACIVSA-N 356.378 1.950 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1cccc(OC)c1 4570625 CSNRUPLXLVVEAQ-OAHLLOKOSA-N 370.405 1.960 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4632238 QBLGRWTYFRDGFV-JOQOYGCGSA-N 362.382 1.361 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3oc(-c4ccc(Cl)cc4)cn32)n(C)c1=O 8709874 UVATXDZCJBSEID-UHFFFAOYSA-N 372.768 1.850 0 40 FDAB O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccccc1Cl 10594586 AIBDPFQLDNZBPB-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cnnn2)cc1 15645845 YHVZJUBPJSCCBL-UHFFFAOYSA-N 357.395 1.627 0 40 FDAB COc1ccc(O[C@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 32892762 OYXHFYCIUWADRH-ACJLOTCBSA-N 354.406 1.901 0 40 FDAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(c2ncccn2)CC1 32958694 MXSOIOIZQFWKOJ-SFHVURJKSA-N 368.437 1.997 0 40 FDAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N1CCOCC1 1012896 LBJLYCGHZUXHTP-UKTHLTGXSA-N 350.371 1.721 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)O 1011576 WKAWEBYSPBDBJD-UHFFFAOYSA-N 374.374 1.558 0 40 FDAB C[C@@H](OC(=O)C1CCC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23866664 NTFWVILQBWCRBV-MRVPVSSYSA-N 358.316 1.890 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccncc3)cc2[nH]c1=O 24434895 YSABKJVYCJJPDM-OAHLLOKOSA-N 372.406 1.137 0 40 FDAB Cc1cnc2c(S(=O)(=O)N[C@]3(C)CCS(=O)(=O)C3)cccc2c1 25062282 QRAQEDLCIWSLRN-OAHLLOKOSA-N 354.453 1.399 0 40 FDAB CCN1C(=O)[C@H]2[C@H](c3ccco3)N[C@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 4884990 CSTXXNOXJXSUHV-NARAOEGZSA-N 368.389 1.614 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 6241332 RNTRZMJWDLBLJS-ZFWWWQNUSA-N 370.361 1.988 0 40 FDAB Cc1cccc2nc(COC(=O)c3ccc(OCC(N)=O)cc3)cc(=O)n12 7580781 HNBULQOICAGRBY-UHFFFAOYSA-N 367.361 1.224 0 40 FDAB COCCOc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cn1 58157643 MBQUBWPHRZCQRL-UHFFFAOYSA-N 372.429 1.687 0 40 FDAB C[C@@H](NC(=O)c1ccc(Br)cc1F)C(=O)N1CCOCC1 58282032 HATXIFAYMOLJJQ-SECBINFHSA-N 359.195 1.565 0 40 FDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O 58306695 JTONXMIIRNARDB-CYBMUJFWSA-N 374.260 1.804 0 40 FDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCc2ccccc2C1 19797385 NTEOQCTXNOTLIZ-UHFFFAOYSA-N 370.430 1.952 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccnn1C[C@H]1CCOC1 58407083 FWWWGMICZNHDNN-CQSZACIVSA-N 352.394 1.985 0 40 FDAB COc1ccc(Nc2nc(N3CCOCC3)c3nc[nH]c3n2)cc1OC 36358745 HQTWCSJFLUYOJR-UHFFFAOYSA-N 356.386 1.950 0 40 FDAB Cc1nc2ccc(N3CCOCC3)cc2c(O)c1CN1CCN(C)CC1 19793575 MTNVVUMCDIGLFN-UHFFFAOYSA-N 356.470 1.833 0 40 FDAB O=C(CS(=O)(=O)c1nnc2ccccn12)Nc1ccc(Cl)cc1 36393301 NIWOIMROTVWAQA-UHFFFAOYSA-N 350.787 1.795 0 40 FDAB Cc1cc(C)cc(OCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 55526774 INGLQVVGBZGQJT-UHFFFAOYSA-N 354.472 1.470 0 40 FDAB O=C(CNC(=O)[C@H]1CCCN(c2cnccn2)C1)OCc1ccccc1 29759599 RZXMQLROYKVZNQ-INIZCTEOSA-N 354.410 1.553 0 40 FDAB COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100637367 YNBZXRUMNLZKTN-KBPBESRZSA-N 360.435 1.665 0 40 FDAB CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)O 12419623 HIOSPFOZQQEAOW-ONGXEEELSA-N 356.400 1.328 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 3486582 YWHJXZIBFSJMIZ-ZDUSSCGKSA-N 351.362 1.353 0 40 FDAB COc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1 22690221 PULAWOYXLNTXCF-UHFFFAOYSA-N 360.414 1.126 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1 9453813 CGBBUBAEVOIHGN-UHFFFAOYSA-N 357.395 1.664 0 40 FDAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2ccccc2)N2NC=NC2=N1 409376945 CNKMRZQHXSLZGS-OAHLLOKOSA-N 363.377 1.880 0 40 FDAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 7247929 NMJWXNADNYVGQF-CQSZACIVSA-N 369.464 1.966 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCCC(=O)O)cc1 95970559 VSVHTIBDDMMISO-HNNXBMFYSA-N 368.455 1.519 0 40 FDAB O=C(NCCC(=O)N1CCCC1)c1cc(Cn2cnc3ccccc32)[nH]n1 67975318 JHZMPJLMFNAMRA-UHFFFAOYSA-N 366.425 1.550 0 40 FDAB COC(=O)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7594964 HBWOUFMEWXECTA-UHFFFAOYSA-N 362.835 1.273 0 40 FDAB COc1ccccc1C(=O)Nc1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 7982433 SFSPXPXVGDDFOF-NSHDSACASA-N 357.366 1.910 0 40 FDAB Cc1cc(CN2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)on1 95972270 WEWMIWJECZIWQM-CQSZACIVSA-N 360.380 1.654 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8376669 ZAVGEMDYCGKKOE-ZHACJKMWSA-N 362.455 1.939 0 40 FDAB CCOC(=O)Cn1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1=O 97021254 OOAMZLCVKUOPHC-UHFFFAOYSA-N 366.377 1.849 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c(C)oc(C)c2C)NC(=O)N[C@@H]1C 8993841 HJQMNYWTUNKMRA-SECBINFHSA-N 350.371 1.880 0 40 FDAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1cccc2nccnc12 72324738 QZKFMFHXOVGUIX-CYBMUJFWSA-N 370.361 1.866 0 40 FDAB biogenic O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2cncn2)c1 89780906 SLXAWWLPMIORGI-MRXNPFEDSA-N 353.426 1.788 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408601310 FJRYNWIGVOXKKF-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB Cc1noc2c1C1=NCCN1C(=O)N2CC(=O)N1CCCc2ccccc21 72342292 STZJBWYLCKVVPC-UHFFFAOYSA-N 365.393 1.965 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@@]12CCOC2 565459047 CROOJQDAHONTDJ-SWLSCSKDSA-N 361.366 1.218 0 40 FDAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCC(O)CC1)C(=O)O 71279757 BMHJXYPVQWPKAB-JTQLQIEISA-N 370.427 1.021 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72338971 HRTAGXZCVMIAKW-VHTZSSMTSA-N 372.421 1.621 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccn2C)cc1Cl 75155164 JJBYCDNMDUWJOC-CYBMUJFWSA-N 351.790 1.475 0 40 FDAB COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1OC 224265338 WOVVEXGYOVHXSO-UHFFFAOYSA-N 359.386 1.974 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(O)Cc3ccccc3C2)cc1 225715426 BNIGUXAVMZKEEZ-UHFFFAOYSA-N 374.462 1.197 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 42985690 RRQBALAGIICJKE-AWEZNQCLSA-N 372.874 1.660 0 40 FDAB O=C(NC1CC1)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239086 NAGHXZKRNWGVID-LJQANCHMSA-N 357.410 1.759 0 40 FDAB Cc1ccc(CN2C[C@@H]3[C@@H](C(=O)NC(C)C)CCS(=O)(=O)[C@@H]3C2)cc1 96250938 HYOLRSGRZPWQNY-RCCFBDPRSA-N 364.511 1.755 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccco3)CC2)CN1Cc1ccccn1 96159108 SSYYAEQACUYQKM-UHFFFAOYSA-N 355.394 1.708 0 40 FDAB CC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2)CC[C@@H]1C(F)(F)F 583616400 NTFABMPNIRAIGR-DGCLKSJQSA-N 350.362 1.907 0 40 FDAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cc(C)n(C)n3)ccc2NC1=O 96182213 CKRUOGXBSPNHQO-SFHVURJKSA-N 372.381 1.634 0 40 FDAB CN(C)c1cccc(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)c1 96230195 VPQRDTXHOUBIRV-UHFFFAOYSA-N 370.497 1.569 0 40 FDAB CCS(=O)(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 96207688 WRFUPESGSAYXEQ-HNNXBMFYSA-N 354.472 1.929 0 40 FDAB CCc1cnc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1 96187689 HLAKONYISIEEHK-UHFFFAOYSA-N 353.474 1.186 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2cccnc2)n(C)n1 248019460 HGRHCSAPEQERPC-QGZVFWFLSA-N 369.469 1.535 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1 248065414 DWSHTJMKMMHMNI-OAHLLOKOSA-N 366.487 1.746 0 40 FDAB CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)CCn3ccnc3)C2)on1 257262359 LLCFATWOSGOQOR-LJQANCHMSA-N 373.457 1.769 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccc(OC)c1 257203883 ASBFARNXAWENDG-MJGOQNOKSA-N 359.470 1.769 0 40 FDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)COc2cccnc2)n1 257299430 RQAQOABOGNIKAN-QGZVFWFLSA-N 355.442 1.984 0 40 FDAB CCn1cc(NS(=O)(=O)c2ccc(OC)c(CC(=O)O)c2)ccc1=O 271627211 OFJWXLXBMUBQOU-UHFFFAOYSA-N 366.395 1.305 0 40 FDAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(CC(F)(F)CO)CC2)c1 636136998 GBXUYQLXMZSTRD-UHFFFAOYSA-N 359.348 1.170 0 40 FDAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H]3C[C@]3(F)c3ccccc3)C[C@@H]12 661343237 YQHZPEKIMFXZAO-SVZOTFJBSA-N 368.430 1.077 0 40 FDAB CCN1CCO[C@@H](CNc2ncnc3onc(C)c23)[C@@H]1c1cnn(C)c1 664312172 AVHQLCKBFPLFDA-ZFWWWQNUSA-N 357.418 1.534 0 40 FDAB O=C(NC[C@@H]1CCCCS1(=O)=O)c1nc(N2CCCC2)ncc1Cl 680046654 LIULOZQBPLQQNI-NSHDSACASA-N 372.878 1.427 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)c1 575404610 NYXRDNKEKRYOCJ-QGZVFWFLSA-N 354.410 1.943 0 40 FDAB COc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C2 654562625 KKQVNCJHBAJINS-OAHLLOKOSA-N 367.471 1.535 0 40 FDAB COc1ccc(CN2CCC[C@@](O)(CCC(=O)N(C)C)C2)c(OC)c1 585278234 ODWQSWHCLKPFLK-LJQANCHMSA-N 350.459 1.899 0 40 FDAB CC(=O)NCCCC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111033 AWEQZGWKOHSQNT-SFHVURJKSA-N 370.453 1.578 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)c(C)o1 585098548 ZIHPEWFFBWTCNE-INIZCTEOSA-N 358.442 1.840 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)c(C)c1C(=O)O 671648001 UUCFFKPCGXPHQE-ZDUSSCGKSA-N 368.455 1.668 0 40 FDAB O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cccn2)[C@H]1O 952844646 FARQLARQSUVHMC-ARILJUKYSA-N 364.789 1.384 0 40 FDAB biogenic,in-vitro Cc1c(C(=O)Nc2cc(C(F)(F)F)cnc2O)nnn1-c1cnn(C)c1 1527042247 POEMDEKAWBQURY-UHFFFAOYSA-N 367.291 1.681 0 40 FDAB NC(=O)c1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cn1 84522443 JPDJLOXBHMQCAJ-INIZCTEOSA-N 367.409 1.666 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCc3nnc4n3CCCCC4)CC2=O)cc1 40012910 CBJRPFLMYVXPFI-HNNXBMFYSA-N 367.453 1.982 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCN(c3ncncc3C)CC2)s1 96024480 DKOMNCFYANUFBE-UHFFFAOYSA-N 352.485 1.920 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887236 QDIAQTMQPHHART-KBPBESRZSA-N 364.409 1.383 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cc4ccccc4F)CC3)c2n1 12336903 YADXXRLXQOIKJK-UHFFFAOYSA-N 370.388 1.781 0 40 FDAB CN1CCc2nnc([C@@H]3CCCN3C(=O)COc3ccccc3F)n2CC1 19710785 SRTHSYKUDQZDRP-HNNXBMFYSA-N 373.432 1.648 0 40 FDAB CC1(NC(=O)/C=C/C(=O)O)CCC(C(C)(C)NC(=O)/C=C/C(=O)O)CC1 1693095 CDUVZYADGAPCSX-YDFGWWAZSA-N 366.414 1.228 0 40 FDAB COC[C@@]1(C)CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 622629431 NOYYGCFURRBDKJ-KRWDZBQOSA-N 352.456 1.725 0 40 FDAB Cc1ccc(N2CC(N(C)S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1 1888875767 HJORGNDJPAEIDI-UHFFFAOYSA-N 360.439 1.229 0 40 FDAB Cc1cc(C)c2ccc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc2n1 1889122747 YQPNILLDQOXBRH-INIZCTEOSA-N 356.426 1.311 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)Cc1ccc(F)cc1)CCO2 2037985541 NFQBBUUHUYDNOJ-LJQANCHMSA-N 364.417 1.233 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1 1565549761 BRDCMYGLMAATPP-JQFCIGGWSA-N 361.417 1.392 0 40 FDAB COc1cccc(OC)c1C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954649 UOPPMKFDUWKAPD-UHFFFAOYSA-N 369.377 1.951 0 40 FDAB COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc(C)c1C 13790522 OXVAGOJCXHKKOM-LLVKDONJSA-N 374.484 1.762 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 20614856 USWFOCZAKVLXAG-MRXNPFEDSA-N 366.439 1.640 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1nccnc1-c1ccoc1 575619312 CSPIVCWNYKUFMC-UHFFFAOYSA-N 351.366 1.487 0 40 FDAB Cn1ncc2c(N3CCN(c4cccc(-n5cccn5)n4)CC3)ncnc21 2298080862 YSPCBEWNLFUZER-UHFFFAOYSA-N 361.413 1.271 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 13806170 HFEQBTPRUHMMFF-UHFFFAOYSA-N 369.421 1.712 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@]1(O)CCc2ccccc2C1 85560471 KCRJHNYEJVANCE-OAQYLSRUSA-N 368.433 1.348 0 40 FDAB Cc1nc(-c2ccccc2F)sc1C(=O)NCC(=O)NCC(=O)O 40284868 GGIADMAQACBABW-UHFFFAOYSA-N 351.359 1.188 0 40 FDAB O=c1c(NCc2ccncc2)c(NC[C@@H]2COc3ccccc3O2)c1=O 101691703 NEHUGWUVBJSDSX-CYBMUJFWSA-N 351.362 1.542 0 40 FDAB Cc1ccc([C@H](Cn2c(=O)[nH]c3ccccc3c2=O)N2CCOCC2)o1 42656920 JZGZXOBZHAQTAY-INIZCTEOSA-N 355.394 1.665 0 40 FDAB COCCCn1c(SCc2nc(N)nc(N)n2)nc2ccccc2c1=O 7538230 GAXRJSBJLZVDEI-UHFFFAOYSA-N 373.442 1.075 0 40 FDAB CN1C(=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)N=C1O 2415270 PYWZFXXNUSYXTC-SNVBAGLBSA-N 371.724 1.263 0 40 FDAB Cc1nn(CC(=O)NC[C@@H](O)c2ccc(F)cc2)c(=O)c2ccccc12 31316772 TYFKKXQHGLAQRX-QGZVFWFLSA-N 355.369 1.694 0 40 FDAB COc1ccc(OC)c([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 36678924 KTCYJXGABFVZPV-SJKOYZFVSA-N 373.409 1.333 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1nc(COc2c(C)occc2=O)no1 31814651 XSLHOAWGGARMTM-LBPRGKRZSA-N 362.386 1.124 0 40 FDAB Cc1ccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 4248507 PSWFNEVSQKTVNS-UHFFFAOYSA-N 373.434 1.935 0 40 FDAB COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1 4985011 PRFHXEYGJQNXBK-UHFFFAOYSA-N 353.382 1.797 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 6321622 WZJSMRJXHKEPAY-HNNXBMFYSA-N 368.499 1.991 0 40 FDAB CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 32436619 NCSCIGSXZFRWEC-UHFFFAOYSA-N 360.501 1.396 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccccn2)C1=O 11710115 JJDHBUUEFNXSAY-KRWDZBQOSA-N 356.407 1.672 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102313432 RUKHYOYGHURBND-ULQDDVLXSA-N 356.422 1.719 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9985683 ZAASXZLHMMFRMZ-ABAIWWIYSA-N 365.455 1.167 0 40 FDAB COc1cccc(Cn2cc(NS(=O)(=O)c3cnn(C)c3C)cn2)c1 2794006 VDXGWWATTYEETM-UHFFFAOYSA-N 361.427 1.783 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cs1 57762996 SQMPTDZLXPTLCA-UHFFFAOYSA-N 354.409 1.997 0 40 FDAB COc1ccccc1N1CCN(CCN2C(=O)[C@H]3CCCN3C2=O)CC1 53244629 UEVUOKDPCMGICT-MRXNPFEDSA-N 358.442 1.244 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1OC 113935637 OQKBVOMJCMIDSQ-UHFFFAOYSA-N 368.386 1.524 0 40 FDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 23041637 GNCZYSRYYGROPE-UHFFFAOYSA-N 365.430 1.773 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc3nnnn3n2)CC1 24236222 BNDGPJDUBANEEY-UHFFFAOYSA-N 371.832 1.706 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1ccc2c(c1)OCCO2 113965319 WKDBYSIGEVLMDC-UHFFFAOYSA-N 368.455 1.626 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 34863168 XKAKXCLQWUBCFI-UHFFFAOYSA-N 358.211 1.691 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]2c2ccccc2)C1 56057963 QHPFPVREQDGWKG-HZPDHXFCSA-N 352.456 1.953 0 40 FDAB O=c1[nH]nc(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)n1C1CC1 26112465 GLOKBIAVFIYNLX-NSHDSACASA-N 373.467 1.999 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(OC)cc3)nn2)CC1 44167797 NVECVJJPIYFRDF-UHFFFAOYSA-N 359.386 1.190 0 40 FDAB CCN1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)CC1 57364363 XQNVDGBIDMAYAS-UHFFFAOYSA-N 353.426 1.272 0 40 FDAB COc1c(Cl)cccc1NCC(=O)N1CCN(C(=O)C2CC2)CC1 58184082 LDYOMSMKKMBJSS-UHFFFAOYSA-N 351.834 1.841 0 40 FDAB Cc1nn(C)c(C)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 10197598 VNGNHIZEHKXOSW-UHFFFAOYSA-N 356.426 1.543 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 58202116 LDEQCMWWIJSMSG-AWEZNQCLSA-N 374.441 1.353 0 40 FDAB O=C(CSc1nnc2ccccn12)NCCc1ccc2c(c1)OCCO2 10340750 VTGSXFYLPLENKS-UHFFFAOYSA-N 370.434 1.952 0 40 FDAB Cc1cc(F)ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12787424 USKMAHYEBWEKFI-LBPRGKRZSA-N 367.402 1.238 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)c2ccccc2O1 12755749 QPYRQOXOZPDOCZ-MRXNPFEDSA-N 361.348 1.917 0 40 FDAB COc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)c(OC)c1OC 48278314 LBYBNLXRFISNJH-UHFFFAOYSA-N 350.415 1.701 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)NCCCN2CCCCCC2=O)cc1 12940234 LDEDPJRTEWTMJX-UHFFFAOYSA-N 352.456 1.613 0 40 FDAB COc1ccc2c(c1)CCC[C@]21NC(=O)N([C@H](C)C(=O)NC2CC2)C1=O 8130805 ZQWGKCRQYBNSHV-WYRIXSBYSA-N 357.410 1.446 0 40 FDAB C[C@H](NC(=O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 13654441 WJQHPORHRUVXBS-ZDUSSCGKSA-N 364.405 1.459 0 40 FDAB CNC(=O)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 6080670 SFJQQJYWFCYQOX-UHFFFAOYSA-N 367.740 1.949 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 39535846 VYLIZAQWSOGILJ-KBPBESRZSA-N 350.440 1.298 0 40 FDAB Cc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1 20026300 RSTZNNJDAMZORV-UHFFFAOYSA-N 361.471 1.687 0 40 FDAB CC(=O)N1CCN(C(=O)COC(=O)c2ccc3ccccc3c2O)CC1 6121450 SRNJIWYFALSASS-UHFFFAOYSA-N 356.378 1.393 0 40 FDAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 39998363 BNLUJJPDJNRSQV-LLVKDONJSA-N 355.485 1.979 0 40 FDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCOCC1 14163591 VZPAMPRDSDBRDY-GFCCVEGCSA-N 374.409 1.224 0 40 FDAB CCOC(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 14119905 KRUNFOZCFQLJFQ-UHFFFAOYSA-N 350.806 1.851 0 40 FDAB Cn1nc(C(=O)NCCc2ccc3c(c2)OCO3)c2ccccc2c1=O 14247578 CTAAUBBTBKDKRQ-UHFFFAOYSA-N 351.362 1.635 0 40 FDAB O=C1CN(C(=O)CCN2C(=O)COc3ccccc32)c2ccccc2N1 14851857 COPYQKIQRPGFMJ-UHFFFAOYSA-N 351.362 1.787 0 40 FDAB C/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 4986341 DQYVUMIKZZHATP-SNAWJCMRSA-N 360.819 1.648 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(I)c1 8721513 BBOMQQTXIUEWNO-QMMMGPOBSA-N 361.183 1.856 0 40 FDAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 8881895 DACWEEFWJLSHRV-UHFFFAOYSA-N 363.439 1.607 0 40 FDAB O=C(Cn1ccccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8983029 CGWAOTZCNPAWDF-UHFFFAOYSA-N 361.423 1.272 0 40 FDAB CC(C)c1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n(C)n1 96005430 ADAJTQOEHLAXRW-UHFFFAOYSA-N 354.476 1.230 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cnccn1)C2 306136522 PVVQVJPCPJCOES-MRXNPFEDSA-N 367.453 1.625 0 40 FDAB CC(C)CCc1noc(CN2CC[C@H](OCCN3CCOCC3)C2)n1 89821183 LLUUGIIVBGLTCN-INIZCTEOSA-N 352.479 1.581 0 40 FDAB NC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc2c1CCC2 9745833 XCUKAWHFGOVMIU-UHFFFAOYSA-N 374.447 1.746 0 40 FDAB Cc1ccc(CNC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)cc1 32647409 HGDUUEWGJJJIBZ-UHFFFAOYSA-N 366.377 1.188 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)ncn2)C1 95389722 ILDQVXXZJAUCAD-LSDHHAIUSA-N 363.462 1.400 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)CN2CCCc3cc(F)c(F)cc32)C1 76912496 PERDDLJWGKTRJR-AWEZNQCLSA-N 351.397 1.845 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306133796 MWNNVGDBWBCEIE-UONOGXRCSA-N 355.417 1.614 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1 95424997 YURSARFEBQKBIF-OAHLLOKOSA-N 358.325 1.582 0 40 FDAB CCN(CC)C(=O)CN1CCCN(C(=O)COc2ccc(O)cc2)CC1 84765866 OWYPUWRITWFJRW-UHFFFAOYSA-N 363.458 1.174 0 40 FDAB CC(C)N1CCC[C@H](N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1=O 95998223 HWAIVUPTHHNEGG-KRWDZBQOSA-N 369.469 1.492 0 40 FDAB CCCC(=O)N1C[C@H]2[C@@H](C1)N(C)c1ncccc1S(=O)(=O)N2C(C)C 306142319 WVWYBFZBMCVFSB-KGLIPLIRSA-N 366.487 1.310 0 40 FDAB NC1=C2C=CC=C[C@H]2NC(CSCC2=N[C@H]3C=CC=CC3=C(N)N2)=N1 38748123 GWZGKYOJBSRFGU-OKILXGFUSA-N 352.467 1.053 0 40 FDAB Cn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cn1 36615336 JVSFLARDUITYLZ-UHFFFAOYSA-N 359.455 1.587 0 40 FDAB Cc1cnc(NC(=O)[C@@H]2C(=O)c3ccccc3S(=O)(=O)N2C)s1 537969 ZAHQBPYQBHTECE-NSHDSACASA-N 351.409 1.276 0 40 FDAB biogenic O=C(NCc1ccco1)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1 35315551 UCEKEAUFSLMKIM-UHFFFAOYSA-N 368.328 1.637 0 40 FDAB O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCO[C@H](CO)C1 533196144 PAUUWEMFVLCVLM-HNNXBMFYSA-N 356.378 1.202 0 40 FDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCc3cccnc3)c(=O)c21 72335352 FSRSYTXHHDHOKC-UHFFFAOYSA-N 365.393 1.984 0 40 FDAB Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 564673100 PDHNBBMETPMWCO-AWEZNQCLSA-N 356.430 1.859 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217666768 DEYGVGFPOVSUJK-VXGBXAGGSA-N 372.443 1.289 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cnn3c2CCCC3)[C@@H]1c1ccnn1C 522019820 AGRODXMPPJLVKD-KBXCAEBGSA-N 356.474 1.766 0 40 FDAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 44631144 OAOBINSICLZUMO-GFCCVEGCSA-N 354.428 1.392 0 40 FDAB COc1ccc(NC(=O)[C@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cn1 225958886 NMDGENPZWGQIDX-MRXNPFEDSA-N 367.402 1.632 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC(F)F)ccc1F)CC2 528817545 LSZZVQJLHQJUTI-VIFPVBQESA-N 370.331 1.910 0 40 FDAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3ccncc3)ccc2NC1=O 96182280 KDRUYUKOTNQNOZ-SFHVURJKSA-N 355.350 1.987 0 40 FDAB CC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CCC(=O)N[C@H]3C)ccc21 577139725 JZYBIAQGSUSJAL-FZMZJTMJSA-N 350.444 1.563 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96206428 AOPKPEIAKWZNSM-KFWWJZLASA-N 355.398 1.457 0 40 FDAB CCCN1C(=O)N[C@H](Cc2ncnn2-c2ccc(F)c(Cl)c2)C1=O 91690213 SNZFOGWWJXJCRC-GFCCVEGCSA-N 351.769 1.933 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cn1 96059244 LUGHMCAWUOBXNA-KRWDZBQOSA-N 352.442 1.860 0 40 FDAB Cc1ccsc1CN1CC2(C1)CN(C)[C@@H](C(=O)N1CCCCO1)CO2 248098787 ZKCSILZERLYGQP-OAHLLOKOSA-N 365.499 1.496 0 40 FDAB COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 242498137 BTHDLWUSPZJOPA-UHFFFAOYSA-N 368.386 1.760 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1 257275858 NRGNFKOFPUHPDS-MJGOQNOKSA-N 359.470 1.433 0 40 FDAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc(N(C)C)n1 257205585 AZTIODVSJVOIGK-CYBMUJFWSA-N 350.448 1.110 0 40 FDAB CN(C(=O)CC1(O)CCCCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257244448 ILIMHYKCRKUVLH-JFIYKMOQSA-N 354.491 1.144 0 40 FDAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3nccnc3N(C)C)C2)n1 257242726 IDWBCRFFDYMBQK-INIZCTEOSA-N 356.474 1.919 0 40 FDAB CN(C)Cc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1 257224505 FCCNEUCUMOKSSR-UHFFFAOYSA-N 355.442 1.271 0 40 FDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1 253601298 OQUZNRUQCVLQIK-OAHLLOKOSA-N 369.425 1.665 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 585110710 FFKHMHAWFCRZOQ-HXUWFJFHSA-N 373.453 1.308 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1 260853469 YTAFPRXAWLISSV-AWEZNQCLSA-N 357.451 1.003 0 40 FDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)O 542235783 RHFQORLLAJZTOQ-UHFFFAOYSA-N 355.420 1.388 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1 643859380 CLQIDCFGAUTSBR-SJORKVTESA-N 358.442 1.839 0 40 FDAB C[C@@H]1OCC[C@]12CN(S(=O)(=O)CCc1ccccc1F)C[C@@H](C)O2 656975188 HDVOWBJVFRATNC-KEYYUXOJSA-N 357.447 1.966 0 40 FDAB O=C(NCc1ccco1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124156 NHHKIXWWKAGTFK-UHFFFAOYSA-N 353.386 1.183 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc(Cl)ccc1F 390830355 KMWSJPXKQJUZJI-CYBMUJFWSA-N 374.865 1.860 0 40 FDAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106168 ULYMUDMHAFIVIM-NXHRZFHOSA-N 370.497 1.780 0 40 FDAB O=C1NC2(CCN(C(=O)c3ccccc3)CC2)[C@H]2CN(CC3CC3)C[C@@H]12 585106042 HBEOZUBBMKDXFR-MSOLQXFVSA-N 353.466 1.749 0 40 FDAB O[C@@H]1[C@@H](NCCCN2CCOCC2)CCC[C@H]1Oc1cccc(F)c1 585290394 VXMACHRWJFNVGW-IPMKNSEASA-N 352.450 1.798 0 40 FDAB Cc1noc(C2CCN(C(=O)NC3CCC4(CC3)OCCO4)CC2)n1 61862050 RJTQLCLQOFUTOK-UHFFFAOYSA-N 350.419 1.953 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc3c2OC(F)(F)O3)c1 655464762 HALIRKDQURYTFK-UHFFFAOYSA-N 372.349 1.468 0 40 FDAB O=C(N1CCOCC1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549162582 SFLBXSQOKXFPFX-UHFFFAOYSA-N 359.426 1.637 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12143282 VKSPVCYWJGJCSX-QFBILLFUSA-N 363.417 1.774 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(O)nc2)cc1 18206194 NNLULSBPXSLJEJ-UHFFFAOYSA-N 363.439 1.748 0 40 FDAB O=C1NCC2(CCC(C(=O)N3CCC[C@@H](CO)C3)CC2)Oc2ccccc21 19374729 VXGRDMUVYVUIQA-IZINQKCZSA-N 372.465 1.969 0 40 FDAB CCN1CCN([C@H](c2ccc(OC)cc2)c2nnnn2CCOC)CC1 19528023 AUNHGIUUPPAYEL-QGZVFWFLSA-N 360.462 1.055 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)[C@@H]3CCCN3c3ncccc32)c1 19565557 KBFDVVCHKIPQPY-KRWDZBQOSA-N 366.421 1.722 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccncc3)n[nH]2)cc1 12114819 PONXLZYVGKDNJA-NSHDSACASA-N 359.411 1.915 0 40 FDAB O=C(CNS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 25131302 VVNCOTOUMDRVMT-UHFFFAOYSA-N 373.478 1.455 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226340 PLWUCGNAXURJDI-DZGCQCFKSA-N 359.348 1.120 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4cc[nH]n4)C[C@H]32)CC1 1565546503 DFVXZHYPSQIIRV-ZFWWWQNUSA-N 352.442 1.848 0 40 FDAB O=C(N[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 3245050 RWDTUIPBSYGQJR-AWEZNQCLSA-N 373.862 1.492 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 5272649 PTRAPJAVSQARRN-UHFFFAOYSA-N 374.418 1.546 0 40 FDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC[C@H]1CCCO1 12440182 KSCXZRACFQHTMX-OAHLLOKOSA-N 367.409 1.268 0 40 FDAB Cc1ccc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)s1 2055729981 LZTXIRWWTPKMNW-NSHDSACASA-N 355.485 1.741 0 40 FDAB CN(C)CCCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 19582332 KFCBASITBHQWQU-DNVCBOLYSA-N 364.490 1.159 0 40 FDAB COC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(OC)cc2)n1 75163477 JCUBBURCEJNJNJ-UHFFFAOYSA-N 353.338 1.710 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1cc(N2CCCC2=O)ccc1Cl 40090719 AHNFVLGBIHNRIZ-UHFFFAOYSA-N 363.801 1.944 0 40 FDAB CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2F)CC1 40159264 PZHQXQHAJHXLNP-UHFFFAOYSA-N 359.195 1.658 0 40 FDAB Cc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 30831837 JYZCIRMIFCOAGC-NSHDSACASA-N 351.453 1.334 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(NC(C)=O)cc1 8037785 FICGPLCCJGEDGP-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)cc1 8086925 KBXJKXBCHUAVAQ-UHFFFAOYSA-N 352.456 1.768 0 40 FDAB CCCNC(=O)CNC(=O)Cc1cc(OC)c(OC)cc1Br 8032594 QIYBPYZQVPNHFE-UHFFFAOYSA-N 373.247 1.651 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)c1C 17073272 UPKUFCAVBLTCCJ-LLVKDONJSA-N 354.354 1.541 0 40 FDAB COC(=O)c1cccc(OC[C@@H](O)Cn2c(C)nc3ccccc3c2=O)c1 28920515 RIKLAWQHMUZZSA-HNNXBMFYSA-N 368.389 1.931 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@H]12 101021970 CBDNZKUELLGRAB-BXUZGUMPSA-N 358.354 1.386 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(F)cc1 6049602 JXIRBWVXLWNLJT-OAHLLOKOSA-N 352.406 1.926 0 40 FDAB COc1ccc(OCCOC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102128789 QCKSUUJLSKZJHU-IRXDYDNUSA-N 373.405 1.959 0 40 FDAB CCn1c(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)nc2ccccc21 10652429 FJJHMRQBTBFHLM-UHFFFAOYSA-N 363.377 1.698 0 40 FDAB CCn1cnnc1CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 32931314 JVVYXCZJURVIMR-UTSBKAFOSA-N 357.414 1.141 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2csc(C)n2)c1 32905528 VWTPGSOIRHCXTG-UHFFFAOYSA-N 353.469 1.641 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(-n2ccnc2)nc1 33043391 USBSXKYBGOKZEN-UHFFFAOYSA-N 360.377 1.294 0 40 FDAB Cc1ccc([C@@H](O)CNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 41457076 PIJXBWVYQNXANJ-KRWDZBQOSA-N 367.405 1.510 0 40 FDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 53202872 JWFUGAMKFKDINO-SNVBAGLBSA-N 351.241 1.961 0 40 FDAB O=C(NC1CC1)C(=O)N1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 53662748 PIEQVEYKGBNQBW-UHFFFAOYSA-N 366.421 1.245 0 40 FDAB O=C(O)CCc1nnc(SCC(=O)Nc2ccc(F)cc2)nc1O 16806858 OKHBSRKHSYEBCU-UHFFFAOYSA-N 352.347 1.464 0 40 FDAB CC(=O)N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 23652692 DXCZVJAVZQTZPN-UHFFFAOYSA-N 365.282 1.931 0 40 FDAB Cc1cc(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)nn1-c1ccccc1 24075719 KTUZKPIVUJUYQE-UHFFFAOYSA-N 356.426 1.528 0 40 FDAB COC(=O)c1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 24574701 GKONCWIESLKUJD-UHFFFAOYSA-N 355.394 1.635 0 40 FDAB COc1cc([C@H]2C=C(C(=O)O)Nc3nc(C(F)(F)F)nn32)ccc1O 102335938 XHIQHVWZYOAAFU-MRVPVSSYSA-N 356.260 1.995 0 40 FDAB COc1ccc([C@@H]2Nc3ncnn3[C@](O)(C(=O)O)[C@@H]2c2ccccc2)cc1 106937088 HWZOXYWSBHJKOO-JTDSTZFVSA-N 366.377 1.967 0 40 FDAB CN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1 56128350 PEUUDFWIUPQZQB-KRWDZBQOSA-N 360.435 1.729 0 40 FDAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1nncs1 58179998 MKEFAQJBAYVLTL-UHFFFAOYSA-N 365.846 1.588 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OCC3CC3)nc2)C1 58223148 PQQCZQPYPXPZAQ-HNNXBMFYSA-N 367.471 1.158 0 40 FDAB COc1ccc(CC[C@H](C)NC(=O)[C@H](CCSC)NC(N)=O)cc1 58218445 HMERIOLYGIMOEL-WFASDCNBSA-N 353.488 1.923 0 40 FDAB COc1ccc(OC)c(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 58378020 AIBUPOOGAATAOQ-UHFFFAOYSA-N 356.444 1.200 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)C(=O)NC2=O 2208569 QOAWZOPXTLVVIY-QGZVFWFLSA-N 354.318 1.869 0 40 FDAB Cc1cc(C)n(-c2ccc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nn2)n1 12933568 ACYFTKRNOWAUJM-NSHDSACASA-N 371.474 1.966 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 3522958 AZIUCRRFQOGMSK-SECBINFHSA-N 351.407 1.948 0 40 FDAB Cc1ccc([C@H](CN2CCOCC2)NCC(=O)NCc2ccco2)cc1 49580984 QDSVAGOFUBHJSM-IBGZPJMESA-N 357.454 1.867 0 40 FDAB O=C1NCCNC(=O)c2ccccc2OCCOCCOc2ccccc21 4165044 PVCNEBYKCLONAI-UHFFFAOYSA-N 370.405 1.634 0 40 FDAB COc1cc(NC(=O)c2ccn(C)c(=O)c2)c(C(=O)N(C)C)cc1OC 25222153 IDHZUNZXVYTHTB-UHFFFAOYSA-N 359.382 1.357 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc2c(c1)OCCO2 5387865 LPONJYHRRLOFFE-UHFFFAOYSA-N 353.334 1.913 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)NC3CCCC3)C[C@@H]21 306134097 NDGPJPDCNYSFRJ-TZMCWYRMSA-N 361.446 1.057 0 40 FDAB O=C(NC1CCCCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20457898 HYOWGKHSYKMVJJ-UHFFFAOYSA-N 366.483 1.911 0 40 FDAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)NC1CCCCC1 6946734 XVKOPDFYPQYOPN-UHFFFAOYSA-N 360.332 1.859 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 15595329 IURKUPGRNQQCLX-UHFFFAOYSA-N 360.395 1.407 0 40 FDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C 8770014 XUUCXNNXZAIYIC-UHFFFAOYSA-N 358.394 1.894 0 40 FDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2nccs2)CC1 68384619 ZVCOHKRDENFSPM-AWEZNQCLSA-N 350.488 1.973 0 40 FDAB NC(=O)c1cccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 78079208 LDKXHVQPPBAXOM-GOSISDBHSA-N 353.422 1.303 0 40 FDAB CCCN(CC(=O)OC(C)(C)C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 95939159 FMRJZAFFKROZNC-UHFFFAOYSA-N 362.430 1.454 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)c1 409000492 WYZJKFZJYWSWGY-WFASDCNBSA-N 366.414 1.870 0 40 FDAB CCN1CCN(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)CC1 113968281 OVZXWBAKAQYHCC-UHFFFAOYSA-N 367.515 1.705 0 40 FDAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 409150030 YMCROXOOMUQOTA-YPKPFQOOSA-N 357.391 1.668 0 40 FDAB COCCOCCOc1ccc(CSc2nc(N)cc(N)n2)cc1 502352194 LDOXSWWFHJYNMR-UHFFFAOYSA-N 350.444 1.975 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cc1 408550798 FDMCUPIINMVRPY-UHFFFAOYSA-N 369.377 1.557 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@H]3COc2cccnc2)n2ncnc2n1 306132005 KVMAUMCTDRKHDY-AWEZNQCLSA-N 352.398 1.502 0 40 FDAB Cn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2 34928778 UNPSWPMSEJJPIF-UHFFFAOYSA-N 368.437 1.913 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccnc3)cc(C(C)C)nc21 32033112 LMARHMWAXCQGMO-UHFFFAOYSA-N 353.382 1.875 0 40 FDAB CC(C)OCCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225151675 HBQPOGVNWJPBQP-AWEZNQCLSA-N 372.487 1.781 0 40 FDAB CN1CCC(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 222564819 SMTZXVFIBSUSEN-UHFFFAOYSA-N 351.472 1.441 0 40 FDAB Cc1cccc(OC[C@H]2C[C@@H](NC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)n1 225504585 QIVBHYBLHYXIAT-UWIFEVILSA-N 357.410 1.701 0 40 FDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1 224164782 ZGKIDSNEZHIRNI-UHFFFAOYSA-N 362.455 1.954 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cnn3ccccc23)cc1 75162788 JOSKVUBXHIZTNT-UHFFFAOYSA-N 358.423 1.515 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1CCCCC1 80337912 PAKKKZHKXVYGDC-CQSZACIVSA-N 360.462 1.146 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)N(C)C)C2 97952800 HZYPMMIAUPJCNH-IBGZPJMESA-N 362.474 1.626 0 40 FDAB Cn1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4ccccc4)CCO3)C2)cn1 96217206 ZJOAHKIHEZRVOX-AZUAARDMSA-N 354.454 1.974 0 40 FDAB CN(C)C(=O)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96267296 NIAQMPSYKHYSBR-UHFFFAOYSA-N 358.446 1.427 0 40 FDAB O=C1NCCCN(Cc2cc(O)nc(C3CC3)n2)[C@H]1Cc1ccccc1 580525094 LZCKEJZXBAPBKN-KRWDZBQOSA-N 352.438 1.993 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 248010439 DQIUJVJBXBSORA-CQSZACIVSA-N 354.410 1.527 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 245226836 NWIQAZVQQALPMD-VZAMPYOESA-N 353.296 1.901 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1 257237721 HHVRJRJYRLYUEQ-UHFFFAOYSA-N 363.421 1.876 0 40 FDAB CC(C)c1nnc(CCC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)o1 257295523 QYQOXDBNHALFSO-CKEIUWERSA-N 350.463 1.620 0 40 FDAB C[C@@]12C[C@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)[C@@H]1CCCC[C@@H]2N3 257326087 WVSWBYHEDDMAHM-JWVYWZTKSA-N 366.465 1.918 0 40 FDAB COc1ncccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257296515 RDEIZSDZFFBQPN-MRXNPFEDSA-N 355.385 1.398 0 40 FDAB CN([C@H](C(=O)NCCCn1ccnc1)c1ccccc1)S(C)(=O)=O 260761003 DINMYMSQOMXBNB-HNNXBMFYSA-N 350.444 1.022 0 40 FDAB O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1cn2c(n1)COCC2 626291686 RZPWOJRLZGLYIY-SECBINFHSA-N 370.335 1.375 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1 629895864 XRYZGTRMWPDYGL-HOTGVXAUSA-N 365.499 1.301 0 40 FDAB CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1c1cnn(C)c1 630651062 RPHPMNAVXNDLMN-SJORKVTESA-N 356.426 1.891 0 40 FDAB Cn1cnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)cc2)n1 640866564 IWQZZKULXOQZGV-ZACQAIPSSA-N 355.442 1.200 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2cc3c(cc2Cl)OCCO3)C1 643818519 PLEMMFJPBLEASY-KRWDZBQOSA-N 354.834 1.574 0 40 FDAB CC(C)CS(=O)(=O)C1CN(C(=O)CCS(=O)(=O)c2ccccc2)C1 96121983 QHAHZQFIZRJSNF-UHFFFAOYSA-N 373.496 1.132 0 40 FDAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OCCO)nc3)cn2)C[C@@H](C)O1 1598019721 JOTGUMVJOBRTNM-OKILXGFUSA-N 372.425 1.714 0 40 FDAB CS(=O)(=O)NCCCNC(=O)Nc1ccc(Br)cc1 40095205 PGPXDLCPHSMXRA-UHFFFAOYSA-N 350.238 1.510 0 40 FDAB Cc1nc(N2CCC[C@H](NC(=O)CCn3nccc3C)C2)[nH]c(=O)c1C 12188596 HXXOROUPOUYLCI-HNNXBMFYSA-N 358.446 1.067 0 40 FDAB CN(C)CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 13670906 DGJGWMAIWMNTGM-UHFFFAOYSA-N 368.286 1.437 0 40 FDAB Cn1cc(Cl)c(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 19289993 GIPLAKAUMWMKIK-UHFFFAOYSA-N 374.828 1.871 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19460669 LPIZZOSOIWESIL-QCUYGVNKSA-N 372.352 1.801 0 40 FDAB Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCC(Cn2ccnn2)CC1 612907815 XXVDSUUZIBTEQG-HZPDHXFCSA-N 358.446 1.418 0 40 FDAB O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)c1cccc(N2CCNC2=O)c1 1115918693 ISGTZJJSOBQJMW-HNNXBMFYSA-N 363.381 1.249 0 40 FDAB O=C(NCCN1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1ccco1 26145485 FAHYQCOXEGKJPG-UHFFFAOYSA-N 363.364 1.746 0 40 FDAB O=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1cccnc1 244942681 CUYKDFRROFONFC-HNNXBMFYSA-N 353.469 1.743 0 40 FDAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccccc1 1614927795 CCNXAOOVHRRAFJ-SFHVURJKSA-N 362.401 1.540 0 40 FDAB Cc1ncnc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)c1C 2087140118 IFBGFTMOKGITKZ-UHFFFAOYSA-N 350.430 1.611 0 40 FDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)cc(OC)c1 4017108 BTKRIFONLVCTFG-OAHLLOKOSA-N 350.371 1.521 0 40 FDAB CN(C)c1cc(-n2cnc(C(=O)Nc3ccc4c(c3)OCCO4)c2)ncn1 49411338 KPMGWJHHNQXAPJ-UHFFFAOYSA-N 366.381 1.752 0 40 FDAB Cn1cc(-c2cncc(CNC(=O)[C@@H]3COc4ccccc4O3)c2)cn1 575414339 GFAPQMXUDMFGEZ-SFHVURJKSA-N 350.378 1.938 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1 1694505 DPTCBOLHKLDFER-UHFFFAOYSA-N 373.390 1.886 0 40 FDAB COc1cc(S(=O)(=O)NCCNc2ccc(C)nn2)c(C)cc1C 38670554 BZQDPWAGGXILRS-UHFFFAOYSA-N 350.444 1.801 0 40 FDAB NC(=O)c1cc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)ccc1F 33064096 VIFMOZSFSBQAFL-UHFFFAOYSA-N 365.386 1.143 0 40 FDAB Cn1cnnc1CNC(=O)COc1ccc(Br)cc1Cl 40072397 SZAWTTJASIRWHD-UHFFFAOYSA-N 359.611 1.926 0 40 FDAB COc1ccc(CCOC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 11105533 RLQKICXCOCOUAZ-UHFFFAOYSA-N 365.407 1.751 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c(OC)c1 101214811 SWSYDRKVCSOYDF-AEFFLSMTSA-N 366.373 1.992 0 40 FDAB COC(=O)c1ccc(CNC(=O)CNCCOc2ccccc2F)cc1 16695438 BEVYCJQQWDEMIK-UHFFFAOYSA-N 360.385 1.897 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 102201982 GSDIQTDFMBFMIT-OTRWWLKZSA-N 372.421 1.557 0 40 FDAB Cc1c(NC(=O)COC(=O)c2cccn2C)c(=O)n(-c2ccccc2)n1C 2654842 OOVXMPOLVTWTMK-UHFFFAOYSA-N 368.393 1.618 0 40 FDAB O=C(CN1C(=O)C(=O)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 32777532 ICVONHMVYDOXSW-UHFFFAOYSA-N 365.214 1.256 0 40 FDAB O=C1Nc2cc(Br)ccc2/C1=C1\N=c2ccccc2=C1NO 100493712 WNWSUJQVZJJGLF-FYWRMAATSA-N 356.179 1.533 0 40 FDAB in-vitro COC(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(OC)c2)cc1 9993587 ONNFYUFXTJOZEY-UHFFFAOYSA-N 356.378 1.779 0 40 FDAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCO2 8156242 NRRXHTCDYBYTRM-UHFFFAOYSA-N 354.409 1.784 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 20635800 CPPJCULIPIBTKN-LBPRGKRZSA-N 352.398 1.724 0 40 FDAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(C)(=O)=O)C1=O 53832554 MVBVQABVIQOFHB-ZDUSSCGKSA-N 364.345 1.517 0 40 FDAB COC(=O)Cn1ncc(N2C[C@@H](C)C[C@H](C)C2)c(Br)c1=O 12417574 MNBBFEZATNQOCD-UWVGGRQHSA-N 358.236 1.661 0 40 FDAB O=C(c1ccc(O)nn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559097 KEVZSWROSNCDCX-UHFFFAOYSA-N 353.304 1.558 0 40 FDAB COc1cccc(-n2cnnc2SCCn2nc3ccccn3c2=O)c1 12545419 WAJVEIJVGAOLFS-UHFFFAOYSA-N 368.422 1.878 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 12549968 NBNHDBDDYZWBFN-UHFFFAOYSA-N 367.405 1.494 0 40 FDAB CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)OC 58160966 GIGODGHRQMIZRV-PIGZYNQJSA-N 368.455 1.469 0 40 FDAB CN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 8264353 GFMSXWLTPXEARB-UHFFFAOYSA-N 368.405 1.944 0 40 FDAB COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(N)(=O)=O 8231849 HRBNNLDMHYZMDF-CQSZACIVSA-N 364.379 1.121 0 40 FDAB COc1ccc(Cl)cc1NCCC(=O)N[C@@H](C)CN1CCOCC1 58201641 GMNJRWVJHJAPOX-ZDUSSCGKSA-N 355.866 1.988 0 40 FDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NC(=O)NC1CCCC1 36383820 QNBLHEIBSPVYMN-UHFFFAOYSA-N 364.471 1.274 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCC[C@H](NS(C)(=O)=O)C2)cs1 48262009 VVMAAIVUKLIJHQ-LBPRGKRZSA-N 360.505 1.030 0 40 FDAB O=C(CN1CCSC1=O)NC[C@@H](c1cccs1)N1CCOCC1 48277981 GEOXOHFFOFKHEJ-LBPRGKRZSA-N 355.485 1.406 0 40 FDAB O=C(CCc1ccccc1)NC1CCN(C[C@@H](O)Cn2cccn2)CC1 48253239 QOOMWUWJJQEUCT-LJQANCHMSA-N 356.470 1.457 0 40 FDAB O=C(CCNC(=O)c1cnccn1)NCc1ccccc1OC(F)F 48311540 ULHJIIVEONBHQT-UHFFFAOYSA-N 350.325 1.514 0 40 FDAB CCCC(=O)NC1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 48366502 WNFVBEDEVXOVJO-KRWDZBQOSA-N 370.457 1.364 0 40 FDAB COc1cc(OC)cc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 3422664 MIHZKZUEGZXZRK-CQSZACIVSA-N 355.456 1.989 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@H](CO)C1 12915631 RDIMAWBFLLUOSQ-ZDUSSCGKSA-N 353.850 1.441 0 40 FDAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 408622386 PBMBZHWCMHCMQI-UHFFFAOYSA-N 368.850 2.118 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 12985675 SOVLIOPPQGBEAF-OAHLLOKOSA-N 368.389 1.343 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)c2sc(C)nc2C)c(=O)[nH]c1=O 8342769 BXDDVQIWMUCRGR-UHFFFAOYSA-N 365.459 1.659 0 40 FDAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3CCc2ccccc2)n(C)c1=O 4038215 GMOUXONDTOYBTR-CQSZACIVSA-N 367.453 1.615 0 40 FDAB COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(N)=O)nc2c1 6002523 OYDUTOMKIGNFSF-UHFFFAOYSA-N 373.390 1.402 0 40 FDAB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 5144695 JQWNNMJPPXXVFG-CQSZACIVSA-N 373.457 1.683 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCC(C(=O)O)CC3)c(=O)oc2c1 20610284 COQBQMFKNBXKID-UHFFFAOYSA-N 359.378 1.981 0 40 FDAB biogenic O=C(NCCCN1CCCC1=O)c1[nH]nnc1Nc1ccc(Cl)cc1 67283706 FHSSAOGXBPQVLM-UHFFFAOYSA-N 362.821 1.944 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 71287630 DPLBYACYVJKCEO-UONOGXRCSA-N 366.439 1.912 0 40 FDAB O=C(NCc1cccnc1)NC1CCN(C(=O)c2ccccc2O)CC1 72289591 UTYBGAJZOLVYFO-UHFFFAOYSA-N 354.410 1.891 0 40 FDAB CCOC(=O)[C@H]1CSCCN1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 97674840 XXWZAVKZTAUQFB-GFCCVEGCSA-N 368.455 1.581 0 40 FDAB CCOC(=O)C1(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)CCC1 95443942 HMYPEMHZEQQRGI-UHFFFAOYSA-N 361.350 1.477 0 40 FDAB COC(=O)c1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)on1 95465665 GHNQSMVRTJTDNQ-NSHDSACASA-N 353.375 1.494 0 40 FDAB CCOCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999085 XDLNOSGSXSBJMP-OAHLLOKOSA-N 352.456 1.406 0 40 FDAB O[C@@H](COCc1ccccc1Cl)CN1CCN(c2ncccn2)CC1 23387189 RIJGLNHSKRHKMT-MRXNPFEDSA-N 362.861 1.830 0 40 FDAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCn1cccn1 1548348337 LLTQOQQTYWZQDI-UHFFFAOYSA-N 368.437 1.595 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217668694 ROAHYKJCCRBPMO-MNOVXSKESA-N 360.432 1.145 0 40 FDAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)CN(C)C)n1 72360392 JLNWXGCCCMSVKR-CYBMUJFWSA-N 361.475 1.914 0 40 FDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218090033 JRGAFDLKXTYRRG-IJEWVQPXSA-N 357.497 1.905 0 40 FDAB CCN(CC(=O)NCCO)S(=O)(=O)c1cc(Cl)ccc1Cl 39985247 JJBSIOUCCSEQPI-UHFFFAOYSA-N 355.243 1.113 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCCO 217582684 XFRVKGIPJVGFIP-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@H]1[C@H]1Nc2ccccc2S(=O)(=O)N1 72342513 QUSABLDLQRTYMY-YJBOKZPZSA-N 372.450 1.345 0 40 FDAB Cc1nc(C(=O)NCc2nccc(N3CCCC3)n2)cc(-n2cccn2)n1 224157261 WNVMRJLQYAMPBZ-UHFFFAOYSA-N 364.413 1.291 0 40 FDAB CC(C)[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccnc1 572703126 HQFUUHRSVZADOU-QGZVFWFLSA-N 365.499 1.894 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)no1 40284264 ZSDHVUOHSRXBFJ-LBPRGKRZSA-N 371.353 1.011 0 40 FDAB Cc1nnc(N2CC[C@@]3(C[C@H](NC(=O)c4cccnc4)CCO3)C2)s1 96218660 NWWTUYZKUJVRBZ-RHSMWYFYSA-N 359.455 1.799 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@@]2(CN(c3ccsc3)C(=O)CN2C)C1 96238217 IOWFUTKOGIYASJ-INIZCTEOSA-N 371.528 1.457 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158855 AMYBKBYIVYJMOG-UHFFFAOYSA-N 351.472 1.241 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96224305 GVDITZURPLBEKY-IBGZPJMESA-N 353.426 1.470 0 40 FDAB COCCN(C)c1cnn([C@H]2CCCN(Cc3c(C)n[nH]c3C)C2)c(=O)c1 583618371 QNRLYYOJQMRJEV-INIZCTEOSA-N 374.489 1.503 0 40 FDAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cn4c(n3)CCCC4)C2)nn1 583618918 HJABMSNUAVJQND-SFHVURJKSA-N 358.446 1.516 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)N2CC=CC2)C1 248045555 PPOFIXDORZCANG-OAHLLOKOSA-N 353.426 1.322 0 40 FDAB COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(OC)c1 257206485 BDROKNULMGXPBV-IAGOWNOFSA-N 357.410 1.074 0 40 FDAB O=C(c1ccccc1Cn1ccnn1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 615960218 ZDYGIDBBGADTPG-SFHVURJKSA-N 374.466 1.367 0 40 FDAB O=C1[C@H]2c3c(O)nc(N4CCCCC4)nc3N[C@H]2C(=O)N1c1ccccc1 618257478 XIXUVUSILNNJTF-GXTWGEPZSA-N 365.393 1.624 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O 643876584 YRBAPHNHTGPRDW-NVXWUHKLSA-N 374.485 1.865 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(Cc2cncc(OCc3ccccc3)c2)C1 643807969 LRLVTUULVVLAKJ-FQEVSTJZSA-N 355.438 1.863 0 40 FDAB C[C@@H](O)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1179937038 GIMYJTJRCKNADR-MLGOLLRUSA-N 371.275 1.182 0 40 FDAB Cc1cccc([C@@H](C)C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 606845224 VGLMYVRDCQWQHI-SJLPKXTDSA-N 359.470 1.148 0 40 FDAB O=C(COCc1ccccc1)NCC1(N2CCOCC2)CCSCC1 1776008710 NDWSVCOHQGGCQT-UHFFFAOYSA-N 364.511 1.917 0 40 FDAB O=C1CC[C@H](C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)N1 96096378 QVHOVEKLKLCZSY-LLVKDONJSA-N 360.395 1.152 0 40 FDAB O=C(CCn1ccccc1=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585277950 ZDVMBYXIXSHJOI-SJLPKXTDSA-N 358.413 1.830 0 40 FDAB CN1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 585112071 KRHWQMVHYQWCQO-INIZCTEOSA-N 370.453 1.293 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@@H](O)C1)C2 585103792 JXBPTKGFBDNAQR-RTBURBONSA-N 373.497 1.479 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)C1CCC1 585097567 LZJUTKYZHVFYAA-CQSZACIVSA-N 367.453 1.840 0 40 FDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1O 585285930 UISHZBSQASMVKP-WQHBLYJGSA-N 351.296 1.597 0 40 FDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292401 LROJYVASRBULJI-RGDDUWESSA-N 367.457 1.752 0 40 FDAB Cc1nc(C(=O)NCC[C@H]2CN(C(=O)N(C)C)Cc3ccnn32)cs1 585112077 IGNHUOABDNVYRJ-LBPRGKRZSA-N 362.459 1.506 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 585290152 UIVCIRMCYVZOCE-LATQFLISSA-N 357.458 1.860 0 40 FDAB COC(=O)C[C@@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)C1CC1 75109605 GNTORVJYOXEBPV-CQSZACIVSA-N 354.428 1.573 0 40 FDAB c1cnc(-c2cnc(NCCN3CCOCC3)nc2[C@H]2CCCO2)cn1 19403792 WVSYAVPYLUOIDE-MRXNPFEDSA-N 356.430 1.529 0 40 FDAB CCC(CC)C(=O)N1CC[C@H](c2nn(CCNC(C)=O)c3nccnc23)C1 19500074 YOJBVCFLSWPWAQ-HNNXBMFYSA-N 372.473 1.715 0 40 FDAB Cc1n[nH]cc1NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O 19749929 PAFAAEOFRRPNHS-UHFFFAOYSA-N 357.414 1.581 0 40 FDAB COc1ccnc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 523079135 BQSOBOWNBDGDQD-UHFFFAOYSA-N 354.336 1.929 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cnc2ccccc2n1 575617319 SJARFPBEUHKFCZ-CQSZACIVSA-N 374.466 1.011 0 40 FDAB C[C@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 3221875 TYJPOAFWJMXLOZ-YFKPBYRVSA-N 361.210 1.884 0 40 FDAB Cc1cn2nc(N3CCN(c4ncc(Br)cn4)CC3)ccc2n1 1888888472 SJGYXOXIBPTHPM-UHFFFAOYSA-N 374.246 1.917 0 40 FDAB FC(F)(F)c1nnc(CN2CCN(c3ncnc4c3CCC4)CC2)o1 1889091461 KQLAYULUMXZQCP-UHFFFAOYSA-N 354.336 1.689 0 40 FDAB Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 21638906 HHDVQBOZJCTFEU-ZETCQYMHSA-N 370.818 1.726 0 40 FDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)C4CC(F)(F)C4)C3)C2)cn1 1565552444 UMARZIUGURYVBH-UHFFFAOYSA-N 352.385 1.576 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC[C@@]1(O)CCCc2occc21 1565523374 MJQZJQOBSQNWKR-HNNXBMFYSA-N 371.436 1.630 0 40 FDAB COCC(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 23139430 FNNZEGDOZXKISU-UHFFFAOYSA-N 360.439 1.531 0 40 FDAB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCC1 23127874 XEAWZFSQDMAZBF-KRWDZBQOSA-N 373.453 1.152 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38731043 IIVDOMIYKCVQGO-ZIAGYGMSSA-N 364.467 1.866 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38946846 ROOARJKDDAWADH-HOTGVXAUSA-N 368.437 1.517 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3=O)c2)cc1 575619042 LMUNHLBRINJUEP-UHFFFAOYSA-N 373.434 1.890 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3cnsn3)C2)cc1 618256064 CKJDWYBKTRJJJB-NSHDSACASA-N 369.424 1.167 0 40 FDAB O=c1ccncn1CC1CCN(c2ncc(Br)cn2)CC1 585639038 XVNJYHWREUYENH-UHFFFAOYSA-N 350.220 1.712 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)CC2)cc1 40157129 BBHJCCCEHBEXTD-LJQANCHMSA-N 373.497 1.986 0 40 FDAB COc1ccc2c(c1)CCc1cc(C(=O)N3CCO[C@H](C(N)=O)C3)sc1-2 50851836 VNACKURNVMSVCY-HNNXBMFYSA-N 372.446 1.849 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(C)CC2)c1=O 6678578 PDAKTDAAJQMNSB-UHFFFAOYSA-N 373.453 1.458 0 40 FDAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6957748 MJKUBPKIEQZNQE-UHFFFAOYSA-N 372.462 1.769 0 40 FDAB CC(C)c1nnc2ccc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)nn12 20735544 SZOBOJFTARWLJQ-HNNXBMFYSA-N 372.473 1.759 0 40 FDAB CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 8475943 WQZFGRGMLKCMGB-UHFFFAOYSA-N 369.487 1.160 0 40 FDAB COc1cc(C)c(CS(=O)(=O)CC(=O)N2CCCCC2)cc1OC 32764994 FCKXGMPZYZOJSA-UHFFFAOYSA-N 355.456 1.940 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCCN3C2=O)c1 9602604 AUMSDDHAMHZDRH-CQSZACIVSA-N 359.382 1.537 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 20456538 BIGQZTYOPDAILH-UHFFFAOYSA-N 361.442 1.433 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3F)CC2)o1 52715856 NSBIXUHTLHKZFB-UHFFFAOYSA-N 367.402 1.024 0 40 FDAB Cn1nc(CC(=O)Nc2cccnc2-n2cccn2)c2ccccc2c1=O 23171537 BUXPNTMUCFGJMV-UHFFFAOYSA-N 360.377 1.695 0 40 FDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@@H](n2cccn2)C1 104884682 KRWMOHLQVYESFM-CQSZACIVSA-N 354.414 1.242 0 40 FDAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208408 CQGRPPVQCCVFPX-UHFFFAOYSA-N 356.488 1.801 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3CCOc4ccccc43)ccc21 24051630 YUFKJXVDCBZNMS-ZDUSSCGKSA-N 360.391 1.934 0 40 FDAB CCCc1nnc(S)n1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 24660617 TXQCEEYKZJDQQG-GFCCVEGCSA-N 362.455 1.818 0 40 FDAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)CN1CCOCC1 25045012 AGXKLJDEEOIMDT-CQSZACIVSA-N 371.462 1.818 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cncn2)c(F)c1 56084824 ZTDSKLKZOGVZNT-UHFFFAOYSA-N 364.340 1.755 0 40 FDAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1nc(N)nc(N(C)C)n1 26112823 NXNDZRHOCWRORQ-SSDOTTSWSA-N 363.472 1.682 0 40 FDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCCC2)ccc1Cl 3221338 IIBPPXTXVYBYRT-UHFFFAOYSA-N 374.846 1.593 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)CC1 44392429 ZZUWUZYNCICZFB-ZDUSSCGKSA-N 372.400 1.301 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 12697102 JCFHVFXWAKNDSW-VIFPVBQESA-N 361.345 1.716 0 40 FDAB CCCCn1c(N)c(N(C)CC(=O)Nc2cccc(C)c2)c(=O)[nH]c1=O 10043928 YUKYTCLENUPYJZ-UHFFFAOYSA-N 359.430 1.302 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc(=S)n(C)c1O 2145228 HFIWMQRYZPTURO-JTQLQIEISA-N 350.352 1.838 0 40 FDAB biogenic CCOC(=O)CN(CC(=O)NC(N)=O)Cc1ccc(C(F)(F)F)cc1 58209689 JUJHWSFFZPMHPA-UHFFFAOYSA-N 361.320 1.265 0 40 FDAB O=C(CN1CCc2ccccc2C1)N1CCN(C(=O)c2ccco2)CC1 36383705 ZVAOLYXZOVWASV-UHFFFAOYSA-N 353.422 1.622 0 40 FDAB CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 36365781 ZPKXJWXNUXYVEO-UHFFFAOYSA-N 357.336 1.208 0 40 FDAB O=C(CN1CCN(C(=O)/C=C/c2nc3ccccc3o2)CC1)NC1CC1 36389550 WMHCXUMNSSLGDL-BQYQJAHWSA-N 354.410 1.264 0 40 FDAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408595512 SARZEEXEPJIETA-STQMWFEESA-N 350.440 1.658 0 40 FDAB CCN(CC)C(=O)CSCC(=O)NCc1ccc(C(=O)OC)cc1 3419583 FQVOMYNFMWBKKM-UHFFFAOYSA-N 352.456 1.691 0 40 FDAB O=C(O)c1cccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)c1 13033109 CTSWIGHOAIWVOE-UHFFFAOYSA-N 366.464 1.953 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)C(=O)O)cc2)CC1 8266948 CAGHBDTWKASNEO-LBPRGKRZSA-N 354.428 1.310 0 40 FDAB COc1cccc(NC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2nnn[nH]2)c1 4599517 QZLLGLLOCNKIPI-CQSZACIVSA-N 369.381 1.888 0 40 FDAB COc1ccc(NC(=O)COCC(=O)NCc2ccc3c(c2)OCO3)cc1 4689210 SBFZLGBUGKDNGP-UHFFFAOYSA-N 372.377 1.695 0 40 FDAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6640732 FLIBFENAYGVWCN-LBPRGKRZSA-N 368.455 1.997 0 40 FDAB O=C(c1c(O)cccc1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1 69698342 KOTUGUUDVFZNRY-GFCCVEGCSA-N 352.818 1.757 0 40 FDAB COc1cccc(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 14804278 WHKJZGJEGGPGJD-UHFFFAOYSA-N 362.451 1.804 0 40 FDAB O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)NC2(CCCCC2)C1=O 4830113 NYJWMCUWGHUJOP-UHFFFAOYSA-N 373.438 1.941 0 40 FDAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@H]2CCCNC2)nn1 67673581 QPUXPXSMJJMXLN-AWEZNQCLSA-N 352.442 1.732 0 40 FDAB O=C(Cn1c(=O)sc2ccccc2c1=O)NC(=O)NC1CCCCC1 96010322 LISCMKOUFDESOG-UHFFFAOYSA-N 361.423 1.582 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)no1 9306746 FZVHAHMWMSEPNE-MJXUCMMTSA-N 355.350 1.179 0 40 FDAB Cn1cc(N2CC[C@H](NC(=O)c3cccc(Br)n3)C2=O)cn1 89755816 ZLNRVUGCJIMGLU-NSHDSACASA-N 364.203 1.113 0 40 FDAB NC(=O)OCCNC(=O)c1ccn(-c2cccc(Br)c2)n1 95465416 QENICYXCEIXBCR-UHFFFAOYSA-N 353.176 1.460 0 40 FDAB Cc1ccccc1OCC(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306136991 QIMMCQJGZIHJHR-LZLYRXPVSA-N 368.437 1.749 0 40 FDAB COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)nn1 548678607 SFFXALZUJCBBDH-RYUDHWBXSA-N 350.419 1.889 0 40 FDAB COc1ccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)cc1OC 75166235 DYPQQKCUXWAPBZ-UHFFFAOYSA-N 358.398 1.512 0 40 FDAB O=C(c1ccc2nnc(O)n2c1)N1CCN(CCc2cccs2)CC1 534231577 OXQDHYGSVRPUIV-UHFFFAOYSA-N 357.439 1.497 0 40 FDAB Cc1ncc(CNS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)o1 414354471 VLYUZQFQSQYSCQ-UHFFFAOYSA-N 354.384 1.542 0 40 FDAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 188938592 FWMUVPNIKYAQSD-ZIAGYGMSSA-N 354.410 1.943 0 40 FDAB CC[C@@H](C(=O)N1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O 78582467 DJKMCINNEJHBBB-AWEZNQCLSA-N 357.451 1.144 0 40 FDAB CC(=O)N1CCC(N(Cc2cncs2)C(=O)CN2CC[C@H](C)C2)CC1 563400932 BIFAWPBHFQYIFI-AWEZNQCLSA-N 364.515 1.824 0 40 FDAB COCC(=O)N1CCC[C@@H](c2cncc(Nc3nc(C)cc(C)n3)n2)C1 72354344 ZKVDUAWJSFNBCA-CQSZACIVSA-N 356.430 1.979 0 40 FDAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860188 QRUVUHJYXPXNRT-GFCCVEGCSA-N 367.471 1.359 0 40 FDAB COCc1nn2c(nnc3c(=O)n(C(N)=S)ccc32)c1-c1ccccc1 40391289 SAJBNIYFXJEZSL-UHFFFAOYSA-N 366.406 1.344 0 40 FDAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(C)=O)CC2)cs1 225466621 XNMOPLOUXCQBOF-CQSZACIVSA-N 353.488 1.584 0 40 FDAB biogenic,in-vitro CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCO1)c1cn(C)c2ccccc12 75149254 LNMSYQOHPFWUHF-KSSFIOAISA-N 372.469 1.192 0 40 FDAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 226851460 XZNXYOBEBKCPKU-AWEZNQCLSA-N 356.426 1.672 0 40 FDAB Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)c1 96225653 VSNQHJQIXGLIHV-OXQOHEQNSA-N 371.437 1.651 0 40 FDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccsc2)CC3)cn1 96059507 DYFQMYMLCKECQK-UHFFFAOYSA-N 356.455 1.624 0 40 FDAB CCN1C[C@@H]2[C@H](C1)c1nc(NCc3ccccn3)ncc1CS2(=O)=O 96252106 LUOWLPPBWSNFDD-LSDHHAIUSA-N 359.455 1.200 0 40 FDAB O=C(c1cscn1)N1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 96208972 HIRUHPJBUJIZSQ-GDBMZVCRSA-N 351.472 1.343 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1CN(C2CCOCC2)Cc2cccn2C1 247462802 BMXAJLKUBTYPBH-SFHVURJKSA-N 368.481 1.853 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3cccnc3)C2)OC1 248104518 FNMCQSQLAJXKBM-KRWDZBQOSA-N 354.454 1.831 0 40 FDAB Cc1ocnc1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257327934 XDKXHFJSGXFNBS-RRCSTGOVSA-N 350.346 1.184 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)cc1 257339485 ZBYODQPKPIETCM-XJKSGUPXSA-N 352.456 1.717 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2cccc(N3CCOC3=O)n2)CC1 257254907 KFFBTDQXDCBEDJ-UHFFFAOYSA-N 368.459 1.099 0 40 FDAB CO[C@@H](CS(=O)(=O)Nc1noc(-c2ccccc2F)n1)[C@@H]1CCOC1 656734385 LOGVKDVYMZGZQC-MFKMUULPSA-N 371.390 1.669 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)N1 1775959883 DVSQSSZFQPWTSD-CVEARBPZSA-N 350.390 1.539 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 585109398 MXLKDRKXPJIMOL-RYRKJORJSA-N 355.394 1.149 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 585101129 GSDRCZMGAMEYRO-SFHVURJKSA-N 374.416 1.728 0 40 FDAB O=C1CCCN1CCC(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 585274068 ZTRYWIDVDACILP-SFHVURJKSA-N 350.390 1.180 0 40 FDAB C[C@]1(NC(=O)CCNC(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 49959007 UEESBTHMQXOBIR-HNNXBMFYSA-N 358.847 1.153 0 40 FDAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2-c2nnnn2C)c2ccccc21 1545074660 FUKUNDHJXPAIEN-AWEZNQCLSA-N 362.393 1.966 0 40 FDAB Cc1cc(=O)c(C(=O)NCCCO)nn1-c1cccc(C(F)(F)F)c1 96968229 YKDRPTMQBIACRK-UHFFFAOYSA-N 355.316 1.672 0 40 FDAB Cc1ccc(CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1F 104766085 FUBBBSVWAMTUNU-UHFFFAOYSA-N 371.416 1.660 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155376 HLRGUYULCSLIID-FQEVSTJZSA-N 371.437 1.033 0 40 FDAB CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@@H]54)C1 5082642 RNZRHJNFQWMXHB-XNROMZQHSA-N 364.445 1.909 0 40 FDAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)CCn2cnnn2)CC1 12131929 WIHMABURUVACJM-UHFFFAOYSA-N 370.438 1.794 0 40 FDAB C[C@H](Cn1nnc2ccccc21)NC(=O)Cn1cnc2ccccc2c1=O 12141910 SOEDUHGBHWCNMM-CYBMUJFWSA-N 362.393 1.346 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2N2CCCC2=O)cc1 12919798 KQSDIKAOOAJZOC-UHFFFAOYSA-N 373.434 1.391 0 40 FDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)OC(C)(C)C 14903002 XBQNTLJRBDPAOF-LJQANCHMSA-N 374.393 1.480 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16025167 ZRSUSFADMZKWGR-AVBGQMESSA-N 355.438 1.842 0 40 FDAB O=C(NCCc1ccc(F)cc1)C1CN(C(=O)c2cn3cccnc3n2)C1 19748578 KRWFRBCLWMLBGX-UHFFFAOYSA-N 367.384 1.299 0 40 FDAB Cc1nc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)ncc1C(=O)N(C)C 19766311 PRHMSEQENQVXAI-OAHLLOKOSA-N 359.474 1.289 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)NC1CCCC1 10256807 AUASDMJUZJJMGD-UHFFFAOYSA-N 365.499 1.655 0 40 FDAB COc1n[nH]c(=NC(=O)NCc2cc(Br)cnc2OC)s1 585123566 AMEUKJDKMAALJD-UHFFFAOYSA-N 374.220 1.456 0 40 FDAB CCNC(=O)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 5693084 KQNASVLDJWKEFG-UHFFFAOYSA-N 368.386 1.034 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 1888856639 OIZPUMLXOGWDGZ-UHFFFAOYSA-N 359.499 1.836 0 40 FDAB Cn1nccc1C(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888888216 YFUACQWQNDRXGX-UHFFFAOYSA-N 366.400 1.979 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(C)c2)n(C)c1 29702468 GKYNHXDOXSCBJJ-UHFFFAOYSA-N 351.428 1.050 0 40 FDAB CC(C)CC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775964205 WSQGDVGMDPIDQH-AWEZNQCLSA-N 357.414 1.991 0 40 FDAB biogenic,in-vitro CC(C)N(C)CC(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565556312 CJVBSOMYKMQHCH-DOTOQJQBSA-N 351.516 1.748 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1cccc(F)c1 9571206 DAMMNNQPNHGQNQ-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB COc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2C 9571629 OJBZIMXEKWRJHK-UHFFFAOYSA-N 374.784 1.396 0 40 FDAB CCCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569849 INEBMHZJXWPSDN-UHFFFAOYSA-N 357.451 1.194 0 40 FDAB c1cc(-c2ccc(N3CCN(c4ncnc5[nH]cnc45)CC3)nn2)ccn1 1775973152 IVLKTJGSEDJKSU-UHFFFAOYSA-N 359.397 1.532 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)cn1 225590962 WQLRWPOXYIYOBV-CQSZACIVSA-N 353.425 1.289 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 40285174 JEEXWAZYNSVASJ-UHFFFAOYSA-N 369.377 1.305 0 40 FDAB Cc1cc(=O)c(C(=O)NCC(=O)NCc2ccco2)nn1-c1ccccc1 7954354 FBBYRFASPRGWFF-UHFFFAOYSA-N 366.377 1.180 0 40 FDAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccn1 20567551 OOWDSPBRYCHDEL-FQEVSTJZSA-N 367.405 1.179 0 40 FDAB CSCC[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4085102 LFQJPEYSPBOGRQ-TYNCELHUSA-N 366.464 1.579 0 40 FDAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCOC)cc1 4938383 KRRBYZIHOYODCX-MRXNPFEDSA-N 370.471 1.391 0 40 FDAB CCCCn1nnc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)n1 6274055 CNNJVYAOZBBRDI-UHFFFAOYSA-N 364.431 1.617 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccn3)nc2)CC1 68841991 ZPYKFBBTVYHYBB-UHFFFAOYSA-N 361.471 1.067 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N3C(S)=NC(=O)C(C)(C)N23)c(C)c1 10153674 SRHUVRRBDJRVTF-LBPRGKRZSA-N 360.439 1.664 0 40 FDAB COc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)cc1 8476342 VKPZJVZEMLUDAW-UHFFFAOYSA-N 356.357 1.804 0 40 FDAB NC(=O)c1ccc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)nc1 103132273 BCUSWUBHPHFAPQ-MRXNPFEDSA-N 352.438 1.475 0 40 FDAB CC(C)c1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 886595 VHSKWGPTENSZQI-INIZCTEOSA-N 354.472 1.871 0 40 FDAB COC[C@@H](C)n1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2725856 IUIPQRBJSFQQAX-NXEZZACHSA-N 364.427 1.279 0 40 FDAB CC1CCN(C(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1 22585585 VLLMXPZVFUCBJZ-UHFFFAOYSA-N 358.486 1.745 0 40 FDAB CN(C)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cn1 24030733 FDQXJBHREIOMAI-UHFFFAOYSA-N 359.430 1.731 0 40 FDAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)CN1CCOCC1 25045005 AGXKLJDEEOIMDT-AWEZNQCLSA-N 371.462 1.818 0 40 FDAB COc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 58248648 FVZUZIYVLRQUGD-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)COc2ccccc21 23750754 LHJVMJZSROUVHY-UHFFFAOYSA-N 354.362 1.799 0 40 FDAB C[C@@H]1NC(C(=O)N[C@@H]2CCCCC[C@H]2CO)=NN(c2ccccc2)C1=O 107591563 AYEUOORFKUQZBW-OFQRWUPVSA-N 358.442 1.382 0 40 FDAB COc1cc(OC)c(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1OC 3313650 VUXFKWOBSDHQIV-UHFFFAOYSA-N 356.334 1.848 0 40 FDAB CN(Cn1nc(-c2ccc(F)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12815192 VSPVPRAKNGYEOE-CYBMUJFWSA-N 370.475 1.834 0 40 FDAB CCCN(C(=O)COc1cc(C)ccc1C(=O)O)[C@@H]1CCS(=O)(=O)C1 13033584 HPCDXQQQAVPTTE-CYBMUJFWSA-N 369.439 1.498 0 40 FDAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 5054215 XCEDWPQZPHFRQD-UHFFFAOYSA-N 355.445 1.225 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5022397 PMOQUPQTGPGSGF-IBGZPJMESA-N 371.393 1.477 0 40 FDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 14159464 JUUJCLSMHKKXAZ-CQSZACIVSA-N 369.425 1.032 0 40 FDAB Cc1ccc(C)c(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1 5440514 GXAUYVDQFLIIOR-UHFFFAOYSA-N 360.439 1.927 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)c3ccccc3CS2(=O)=O)[C@@H]1C 69929510 AHYKESFVVARNCQ-XJKCOSOUSA-N 364.467 1.913 0 40 FDAB CC(C)OC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 14903019 VWAXJIFULXMIPI-SFHVURJKSA-N 360.366 1.090 0 40 FDAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1nonc1N 4939862 WDQANKDVXRLSMG-UHFFFAOYSA-N 351.436 1.471 0 40 FDAB O=C(Cn1c(=O)n(CCO)c(=O)c2ccccc21)Nc1cccc(Cl)c1 71280157 IQSSWFMGSLOFNO-UHFFFAOYSA-N 373.796 1.448 0 40 FDAB NNc1nc2nonc2nc1Nc1ccccc1I 408822844 YINDQXXKWFQDPJ-UHFFFAOYSA-N 369.126 1.647 0 40 FDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)N1CCN(c2ccccc2)CC1 9423422 FDRCQYYNEVMLEM-UHFFFAOYSA-N 371.832 1.767 0 40 FDAB COC1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 83897755 AGWNMXRFNFZDIB-HNNXBMFYSA-N 358.504 1.056 0 40 FDAB Cc1occc1CN(C)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 89944258 QWICMBVNJCZQST-UHFFFAOYSA-N 355.354 1.160 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCc1ccccc1 72405661 ZLTLZGKGBJBYGH-INIZCTEOSA-N 361.467 1.832 0 40 FDAB CCCNC(=O)C[C@@H](C(N)=O)N(CCC)C(=O)c1cccc(COC)c1 97377529 QYVILSOVAPWLCL-INIZCTEOSA-N 363.458 1.455 0 40 FDAB COCc1nc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cs1 95425080 NZLXAZFSNPVNRK-UHFFFAOYSA-N 363.395 1.746 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)cc12 95419542 XILJCQYJRBCZIC-LLVKDONJSA-N 366.443 1.198 0 40 FDAB CCc1cc2c(N3CCC[C@H](CNS(N)(=O)=O)C3)ncnc2s1 89283010 WUIUPQYOYGOGNJ-SNVBAGLBSA-N 355.489 1.263 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 79020018 SQAOWXDIUVTZLL-SJORKVTESA-N 367.405 1.149 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 409380599 OFBAZURNUVAQHF-UHFFFAOYSA-N 358.460 1.071 0 40 FDAB COc1cccc(N2Cc3nn(Cc4c(C)noc4C)c(=O)n3C2=O)c1 1547201308 YZDKZEWRQOTVRF-UHFFFAOYSA-N 355.354 1.695 0 40 FDAB CC(C)(C)n1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20610768 IVWPESBBLNYUHS-HNNXBMFYSA-N 354.410 1.714 0 40 FDAB biogenic CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(OC(F)F)cn2)C1=O 502625932 ORSFHBWAPSWCGO-CHWSQXEVSA-N 354.357 1.445 0 40 FDAB CC(C)(O)CN/C=C(\C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O 31688259 MRTLERSTSFCYJW-GXDHUFHOSA-N 360.410 1.826 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)C(C)(C)C 39569379 ABIZLFSTLDEWQP-SNVBAGLBSA-N 352.412 1.272 0 40 FDAB CCc1ccc(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)cc1 72265449 XTYDXLJVOCBXCB-UHFFFAOYSA-N 354.472 1.419 0 40 FDAB COc1cc(OC)cc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 224225180 OSWNKONBLQAZBY-UHFFFAOYSA-N 372.425 1.569 0 40 FDAB CCCc1nnc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nn12 41076406 LJSXPUYNENTVIW-UHFFFAOYSA-N 370.394 1.373 0 40 FDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 44450451 ZECPMQJZPSNPGN-NSHDSACASA-N 352.350 1.398 0 40 FDAB Cn1cnn(CCC(=O)N2CCCc3c2cccc3C(F)(F)F)c1=O 573319178 ZZIIVQVDUFGJFD-UHFFFAOYSA-N 354.332 1.970 0 40 FDAB Cc1noc(-c2cn(CCNC(=O)CCc3c[nH]c4ccccc34)nn2)n1 225584176 BWICJDMFPIGUGM-UHFFFAOYSA-N 365.397 1.867 0 40 FDAB CNC(=O)[C@H]1CN(Cc2c(C)nn(C)c2Cl)C[C@@H]1c1cnn(C)c1 583614665 QWAGJMJAESIGMX-KGLIPLIRSA-N 350.854 1.077 0 40 FDAB Cc1cccc(N2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)n1 96254010 QPPYYYGCVYKFFY-UHFFFAOYSA-N 354.458 1.645 0 40 FDAB CC[C@@H]1c2ccsc2CCN1C(=O)CN1C(=O)N[C@](C)(COC)C1=O 332277130 VWBZQFBYKBASCB-SJKOYZFVSA-N 365.455 1.541 0 40 FDAB CCS(=O)(=O)[C@](Br)(I)C(C)=O 96518573 BBPNIESMCGINGJ-RXMQYKEDSA-N 354.991 1.494 0 40 FDAB Cc1cccc(CN2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)n1 96230485 SSIBSSCSHATONO-HXUWFJFHSA-N 351.454 1.708 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccco1)C2 96237889 KQWMZYWXAHDTCP-LJQANCHMSA-N 357.385 1.982 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2cnccn2)CC3)c1 96051719 VKCHAWJPWOKKIU-INIZCTEOSA-N 353.426 1.630 0 40 FDAB O=C(O)[C@@H](O)[C@@H](CC1CCCCC1)NS(=O)(=O)c1cncc(F)c1 584244862 CJPCGTMUYRKRQB-KGLIPLIRSA-N 360.407 1.284 0 40 FDAB COCCNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 242462543 BREJYUHJSXILHG-UHFFFAOYSA-N 350.415 1.319 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230627 VLEIQZZQYNRKKM-KYZVSKTDSA-N 364.829 1.927 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257239468 HPJPUOFKVGWTLU-AWEZNQCLSA-N 369.425 1.297 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257271353 MXYOCDBYLPPSBU-UHFFFAOYSA-N 354.414 1.724 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)c3cncs3)C2)nc2c1CC(=O)N2C 257229173 FWZGHCKNCZORII-SFHVURJKSA-N 371.466 1.954 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)C3CCOCC3)ccnc12 257287852 PRTBHJIILDQCIN-HNNXBMFYSA-N 371.441 1.569 0 40 FDAB Cc1nc(-c2ccnn2C)cc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257273239 NFUOMFGATSDDBZ-MRXNPFEDSA-N 364.475 1.519 0 40 FDAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 630658463 YXSYYZVWJZZWPA-DLBZAZTESA-N 354.410 1.569 0 40 FDAB CN1CCCC[C@H](N(C)C(=O)c2ccccc2NS(C)(=O)=O)C1=O 634146622 KSGPACLGQFEWMR-AWEZNQCLSA-N 353.444 1.141 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccccc2Cn2cccn2)C1 644044394 ZQLNUDJIRJIHFM-IBGZPJMESA-N 356.426 1.035 0 40 FDAB COCCn1cc(C(=O)N2CCC[C@]2(COC)C(N)=O)c2ccccc21 644059415 YJZRTBZAWKAEDA-IBGZPJMESA-N 359.426 1.394 0 40 FDAB CS(=O)(=O)C[C@H]1CCCCN1C(=O)NCc1ccc2cncn2c1 656367078 GOWNZMDMVLCATQ-OAHLLOKOSA-N 350.444 1.443 0 40 FDAB COc1ccc(CN(C)S(=O)(=O)N2CCOCC2)cc1OC(F)F 298333669 PTVZMIQYRDPTPS-UHFFFAOYSA-N 366.386 1.305 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@H]4C[C@@H](O)CN4C[C@@H]3C)CC2)cc1 585282991 LTLACCSYGMHPFX-DFQSSKMNSA-N 359.514 1.466 0 40 FDAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1ccccn1 585095849 PECRMZXCLSKNSL-QGZVFWFLSA-N 353.426 1.668 0 40 FDAB O=C(c1ccnnc1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111078 CMKQGOKKAPPIHV-UHFFFAOYSA-N 363.425 1.645 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(C(F)(F)F)cn2)C1 685941545 YWUKSPAIROOJEQ-KWQFWETISA-N 359.304 1.152 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 5240800 ISYBEIUFENFTPK-ZDUSSCGKSA-N 372.377 1.819 0 40 FDAB CC1CCC(NC(=O)COC(=O)c2ccccc2S(C)(=O)=O)CC1 5534540 NKOUXZSYIAOYLS-UHFFFAOYSA-N 353.440 1.942 0 40 FDAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn12 11696271 HBRHTEGBCBGNQC-UHFFFAOYSA-N 364.456 1.005 0 40 FDAB C=Cn1cc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)c(C)n1 12121336 SOXJKYKEAWPLPF-UHFFFAOYSA-N 367.500 1.927 0 40 FDAB CC(C)c1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(S(C)(=O)=O)cc2)n1 15674767 BRTOVAUXLAELRG-HIFRSBDPSA-N 365.455 1.904 0 40 FDAB biogenic,in-vitro COc1cccc(CN2CCc3[nH]c(N4CCOCC4)nc(=O)c3CC2)c1 19565481 DEHMPCWSLNLNGE-UHFFFAOYSA-N 370.453 1.216 0 40 FDAB Cc1nc2cc3c(cc2n1CC(=O)NCCCn1cccn1)OCCO3 19718230 BDXNICSQFMHCNS-UHFFFAOYSA-N 355.398 1.519 0 40 FDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 19706471 SVJDBKXCZNOIEE-CQSZACIVSA-N 356.430 1.609 0 40 FDAB COc1cccc(NC(=O)N2CCC(N3C(=O)CNC3=O)CC2)c1OC 253472743 ORTQGDJQIHLIDH-UHFFFAOYSA-N 362.386 1.252 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@@H]3C2)nc(O)c1F 1888863782 PKFXSSXNQCWHJE-GHMZBOCLSA-N 361.352 1.372 0 40 FDAB COCCCNC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 32636484 RLWVYSXKTJDKBE-IBGZPJMESA-N 359.426 1.313 0 40 FDAB O=C(N1CCOCC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008483 HRAAKMHOUPUHQJ-UHFFFAOYSA-N 360.336 1.791 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)n1 2037838466 IBXXACBZIBSNIA-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB COC1(CC(=O)N2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)CCC1 1565556540 NEJXPZYNVZQMKN-TZMCWYRMSA-N 373.457 1.075 0 40 FDAB COCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908673 LYKBLQIRDXACPW-UHFFFAOYSA-N 371.437 1.599 0 40 FDAB CCOCCCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479675 CKRISEIFGVVOEW-ZDUSSCGKSA-N 363.414 1.289 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(F)cc1 9571190 GXRBAFCDPDRMFA-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccccc2)n1C 12422559 DTBGMWRLTQOUEK-UHFFFAOYSA-N 358.427 1.955 0 40 FDAB COc1ccccc1-c1ccc(=O)n(C2CN(c3ncncc3F)C2)n1 1775974910 WSGVCQIUGRDGJD-UHFFFAOYSA-N 353.357 1.909 0 40 FDAB Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2ccccc21 101344954 NFRYBTQFFXYVGS-YOJQOHNYSA-N 353.469 1.339 0 40 FDAB CCc1c(C)sc(NC(=O)C[C@H]2SC(=N)NC2=O)c1C(=O)OC 11851759 NNZMFQKHLIFUGW-MRVPVSSYSA-N 355.441 1.900 0 40 FDAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nnnn1-c1ccccc1 40089689 OGYUUDGTNXXKLT-DGCLKSJQSA-N 358.431 1.681 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2sc(S)nc2C)CC1 40050755 CMDYFDVIOYGZHO-UHFFFAOYSA-N 363.530 1.213 0 40 FDAB COC(=O)C[C@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O 1630341 HTQIXMOSAIFIRX-WLRWDXFRSA-N 356.378 1.504 0 40 FDAB COC(=O)c1cc(C)n(C)c(=O)c1CNS(=O)(=O)c1ccc(C)cc1 1692694 PTSBWAVIKUYJJE-UHFFFAOYSA-N 364.423 1.267 0 40 FDAB Cc1cccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)c1N 7308556 JRLHTFLRYBMTMS-ZDUSSCGKSA-N 356.378 1.690 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 20636303 NMUZXAYTSVXXJL-MRVPVSSYSA-N 360.226 1.803 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 8305742 SUEJKYDZXUGTTJ-UHFFFAOYSA-N 352.398 1.672 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)n[nH]1 21096545 MQLKYIWIZOXRMC-UHFFFAOYSA-N 370.475 1.225 0 40 FDAB Cc1cc(NC(=O)CN(C)C(=O)CCCNC(=O)c2ccsc2)no1 32841921 MUGYINUXORAZLY-UHFFFAOYSA-N 364.427 1.652 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1 9337205 FBPCYCHEFKGBQJ-UHFFFAOYSA-N 364.452 1.968 0 40 FDAB O=C(NCc1ccccc1)c1ccccc1NCC(=O)N1CCNC1=O 8190690 ZEOWOHNOQVYNIR-UHFFFAOYSA-N 352.394 1.580 0 40 FDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCN3CCOCC3)ccc12 20546847 UESMYQFTBDOSSJ-UHFFFAOYSA-N 360.410 1.237 0 40 FDAB C[C@@]1(NC(=O)c2ccc(N3CCCCC3=O)cc2)CCS(=O)(=O)C1 22551346 MZVBIZWQESDGQP-QGZVFWFLSA-N 350.440 1.511 0 40 FDAB CC1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 838137 MWSQIYRUGDUSJM-UHFFFAOYSA-N 367.453 1.718 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 22235435 NNCXSUKBKOIYPA-UHFFFAOYSA-N 369.421 1.862 0 40 FDAB Cc1cc(C(=O)NCCCN(C)S(C)(=O)=O)c(C)n1Cc1ccco1 42776503 NBXDLCMGUCXZAM-UHFFFAOYSA-N 367.471 1.758 0 40 FDAB CC1(C)[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@H]1C(=O)O 61722030 HVTLHFHZUTYZJG-CVEARBPZSA-N 360.410 1.416 0 40 FDAB Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 56911042 YYVBWFRVLRWMCD-NVXWUHKLSA-N 367.453 1.689 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 58210824 OSQSBRYVWBAPMS-OAHLLOKOSA-N 373.544 1.529 0 40 FDAB CCCCc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCNC3=O)CC2=O)cc1 58438072 RIUFHWJJUHSLOS-RDJZCZTQSA-N 357.454 1.777 0 40 FDAB C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1 12792223 SEMGKTAPKJMPKI-KWQFWETISA-N 353.762 1.198 0 40 FDAB CCCCOCCNC(=O)CS(=O)(=O)c1nccn1-c1ccccc1 48310666 PESWHOQYPDGJMT-UHFFFAOYSA-N 365.455 1.579 0 40 FDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1cc(F)c(F)c(F)c1 49545416 DORCYJAMOPLELX-UHFFFAOYSA-N 368.315 1.136 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495888 KXZGDUBXGDKHOB-CYBMUJFWSA-N 371.368 1.464 0 40 FDAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 14114585 JONWUQMPWOBLFA-OKILXGFUSA-N 359.426 1.179 0 40 FDAB C[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)C[C@@H](C)O1 14137898 VFKFRLMLGBMSKY-RVPKQNPDSA-N 353.369 1.799 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1nn(-c2ccccc2)c2c1CCC2 14168615 NOZVDLXUVXZXTL-UHFFFAOYSA-N 354.366 1.070 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 4502182 OWBYOMXQYJRXOI-MRVPVSSYSA-N 354.193 1.865 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2nsnc12 19079767 OUDQHXXUBZORJW-ZDUSSCGKSA-N 374.447 1.292 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(OCCC)cc2)c(=O)[nH]c1=O 14656217 DFUAOOWLNQKBOS-UHFFFAOYSA-N 374.441 1.984 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1C 4992830 HFVYBCCJFVXAOE-LBPRGKRZSA-N 360.439 1.253 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1C 4992831 HFVYBCCJFVXAOE-GFCCVEGCSA-N 360.439 1.253 0 40 FDAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)[C@@H]1COCCO1 68124753 GHONZDUOJNLPHP-KRWDZBQOSA-N 367.877 1.384 0 40 FDAB Cc1ccc(CNC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 9117862 FLIDICXXJQCEOP-CQSZACIVSA-N 373.478 1.710 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCSCc1ccccc1 9154254 CYAHDJYMEJTMHW-UHFFFAOYSA-N 370.482 1.915 0 40 FDAB C[C@@H](OC(=O)c1cc(Br)ccc1N)C(=O)N1CCOCC1 9157914 VWHGHGGTOVLPOY-SECBINFHSA-N 357.204 1.435 0 40 FDAB Cc1noc(C)c1C[C@H](C)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 96005425 SDMWCSUOBACCRG-NSHDSACASA-N 369.487 1.543 0 40 FDAB CC(C)c1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)on1 96000216 MMISFERPKRRHEQ-UHFFFAOYSA-N 363.439 1.742 0 40 FDAB C[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1ccc(Br)cc1 96319393 DSMZGRNKKDUQGV-AOOOYVTPSA-N 352.250 1.201 0 40 FDAB CN1CCO[C@H](C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)C1 76060813 MPZSIQGXMSWUAG-SFHVURJKSA-N 374.437 1.210 0 40 FDAB COC(=O)C1=C(C)O[C@H](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)C1 95462927 PJMNSTZSIYELFD-WZRBSPASSA-N 350.415 1.969 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 547554308 KSFZABDZNJNSIR-WFASDCNBSA-N 365.411 1.030 0 40 FDAB COC(=O)[C@@H](Cc1ccncc1)NC(=O)Cc1cccc(NC(C)=O)c1 518998701 MGAAVKOLHWELND-QGZVFWFLSA-N 355.394 1.483 0 40 FDAB COC(=O)c1cn(-n2c(C)nc3sc(C)cc3c2=O)cc2c(O)nnc1-2 524734247 MTWXJURIMOVIHW-UHFFFAOYSA-N 371.378 1.575 0 40 FDAB C[C@@H](C(=O)N[C@@H](C(=O)O)c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 6908444 QWLAEQJIZIKWIV-XHDPSFHLSA-N 367.361 1.193 0 40 FDAB biogenic CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218193844 QQORDIVNAUQYLG-RDBSUJKOSA-N 362.289 1.941 0 40 FDAB CN1CCN(c2cc(NC(=O)Cn3ccc4ccccc43)ncn2)CC1 75166226 XAQPIWYWBMBNFN-UHFFFAOYSA-N 350.426 1.822 0 40 FDAB O=C(CCNC(=O)c1ccc(Cn2ccccc2=O)o1)Nc1ccccn1 48234679 AAXBTTHILJCGDE-UHFFFAOYSA-N 366.377 1.643 0 40 FDAB O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)C2CC2)CC1 42384041 VQDTYNZMSJJBSS-UHFFFAOYSA-N 361.423 1.592 0 40 FDAB CCOc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1 222672626 JVMUMJKWIHBVFU-UHFFFAOYSA-N 359.382 1.219 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1 223668939 PTBHFMNXDQVVAF-UHFFFAOYSA-N 362.477 1.514 0 40 FDAB CO[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96209031 UFDSXEXLFQNFPF-BBWFWOEESA-N 356.426 1.740 0 40 FDAB CCn1nnc2c1CCN(C(=O)c1nn(C)c3ccccc13)[C@@H]2COC 96198486 DCRKMNMKMFNBMJ-OAHLLOKOSA-N 354.414 1.571 0 40 FDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)O1 96063323 GDWPPCIFNVAPOD-MJGOQNOKSA-N 350.434 1.706 0 40 FDAB CCN1C[C@@H]2[C@@H](OCC(=O)N(C)C)CCN(Cc3ccsc3)[C@@H]2C1 96217176 FSTYMJNEWYIETH-BBWFWOEESA-N 351.516 1.748 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 96227467 XEOHNQCPARRTBZ-SJLPKXTDSA-N 365.499 1.882 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4nccn4C)C3)C2)nn1 96240547 MBWJGWXWYYFDAS-LPHOPBHVSA-N 372.473 1.238 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN1C[C@@H](C)O[C@H](C)C1 248328569 BTHVVWMTLAJHEY-KCYZZUKISA-N 369.469 1.735 0 40 FDAB Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)CCCN)CC3)c2n1 257242836 IEJUXEAFSLYYKO-UHFFFAOYSA-N 371.485 1.467 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2cccs2)C1 257243351 IGOGDUPMOMEUAE-LLVKDONJSA-N 353.469 1.970 0 40 FDAB COC(=O)c1cn(NC(=O)Cc2ccc(OC)cc2)cc2c(O)nnc1-2 524733245 JHSBXJUNLNITGO-UHFFFAOYSA-N 356.338 1.197 0 40 FDAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)/C=C/C(=O)O 257267568 MHWGGZAIALXYCR-SNAWJCMRSA-N 370.409 1.060 0 40 FDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc[nH]n2)C1 257254565 KDQWVJHTJFRJCC-GOSISDBHSA-N 360.389 1.726 0 40 FDAB CO[C@@H]1CN(c2nc(-c3cccnc3)nc(C)c2C)C[C@H]1c1cnn[nH]1 621337354 WTOAGVLWPWNJHO-GOEBONIOSA-N 351.414 1.892 0 40 FDAB CO[C@]1(CC(=O)NCc2cccc(F)c2F)COCCN(C(C)=O)C1 585280531 JWLZOTJPMILNBR-KRWDZBQOSA-N 356.369 1.235 0 40 FDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)cc1 952844925 UESBUAWDAHLNBJ-OVYGPGRDSA-N 365.817 1.361 0 40 FDAB biogenic,in-vitro C[C@@H]1CC[C@@H](NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)CS1(=O)=O 659558299 YEMGKVFTPWVDHB-YUPDFXLQSA-N 369.531 1.405 0 40 FDAB CN(C(=O)NCCc1ccn(C)n1)[C@@H]1CCCN(c2ccccc2)C1=O 546224162 ZSDZYJRTEUSOKE-QGZVFWFLSA-N 355.442 1.800 0 40 FDAB CN(C[C@H]1CCCN(Cc2ccc(C(=O)O)cc2F)C1)S(C)(=O)=O 575763246 MZGDYIAHTWGYFG-GFCCVEGCSA-N 358.435 1.627 0 40 FDAB CCN1CCN(c2nc(CSc3nc(C)cc(C)n3)cc(=O)[nH]2)CC1 13639770 RIRFKTFTXDGXHU-UHFFFAOYSA-N 360.487 1.611 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccc(F)c1)C2=O 16176913 OFRPVISAWWFOJV-UHFFFAOYSA-N 361.417 1.985 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)s1 252487240 HTJSPYYEQSZHBX-UHFFFAOYSA-N 373.482 1.891 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCN(CCn2ccccc2=O)CC1 586830227 OLLPEJCHNIUXKH-UHFFFAOYSA-N 359.857 1.889 0 40 FDAB Cc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(C(F)(F)F)n1 1888864071 GWKOGKWFSKULDG-UHFFFAOYSA-N 374.344 1.381 0 40 FDAB COCCn1cnc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1888903977 UDGDSKBKRFGZSQ-UHFFFAOYSA-N 356.405 1.938 0 40 FDAB c1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(N2CCCC2)n1 1889205348 LIOUOHXICFLGNE-UHFFFAOYSA-N 351.418 1.070 0 40 FDAB COc1cnc(OC2CCN(C(=O)Cn3cnc4ccccc43)CC2)nc1 1889224945 PCGPGLFIQRNEBN-UHFFFAOYSA-N 367.409 1.905 0 40 FDAB CCn1nccc1C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962732 AMPVJCQXQSYCJN-UHFFFAOYSA-N 360.458 1.537 0 40 FDAB Cn1cnc(C(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)n1 1565553255 QQWQXHWHYCDWMR-UHFFFAOYSA-N 374.470 1.139 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C[C@H](Cn3ccnc3)CO2)C1 1565549399 WMCZRCIZUSFDEH-BEFAXECRSA-N 374.416 1.294 0 40 FDAB COc1ccc(NC(=O)c2c[nH]c(=O)n(-c3cccc(OC)c3)c2=O)cc1 2973317 GQFVGMQASPMCPL-UHFFFAOYSA-N 367.361 1.795 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)=O)CC3)cc1 4586306 BIGORSWQDJIZDG-UHFFFAOYSA-N 354.428 1.055 0 40 FDAB COc1ccc(C)cc1NC(=O)Cn1nc(C)cc1C(=O)N1CCOCC1 11931112 TZXHKUXASIURQA-UHFFFAOYSA-N 372.425 1.620 0 40 FDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(OC)c3)C[C@H]21 2055719482 OVXDCZBUAMVBSK-CEXWTWQISA-N 362.470 1.685 0 40 FDAB O=C(Cc1ccccc1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731599 ITCHHQLQRZNYOX-HZPDHXFCSA-N 355.438 1.457 0 40 FDAB O=C(Cc1ccccn1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772175 DHRJCRRHGKEHPM-UHFFFAOYSA-N 353.426 1.071 0 40 FDAB Cn1cc(CN[C@@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)cn1 2055739047 JJOIUPFAKMYQLU-CYBMUJFWSA-N 355.398 1.578 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Oc2ccnc(C)n2)C1 575611682 FXMCSAGZUPOCDL-CYBMUJFWSA-N 367.402 1.775 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2F)C1 40091929 AJKMVDHRPJCCPM-OAHLLOKOSA-N 356.463 1.936 0 40 FDAB CC(C)Cc1ccc(CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 40062180 HTICZKHIPZTXHJ-UHFFFAOYSA-N 352.500 1.968 0 40 FDAB Cc1occc1-c1nnc(SCCn2nc3ccccn3c2=O)n1N 40063042 UZPYELJJTLXMPM-UHFFFAOYSA-N 357.399 1.162 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1F 40113960 SKNKIZYFJRHKOV-UHFFFAOYSA-N 371.412 1.991 0 40 FDAB COC(=O)C[C@H]1C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O 1630343 HTQIXMOSAIFIRX-JEOXALJRSA-N 356.378 1.504 0 40 FDAB NC(=O)[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1 36648264 VEHPGEFGWONJIM-KRWDZBQOSA-N 374.437 1.566 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)c1C 36611031 ZUWQXQUSKVYBMC-IAGOWNOFSA-N 362.474 1.747 0 40 FDAB COc1cc2ncn(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c(=O)c2cc1OC 101369840 XPGCLSMKYDFJLA-MELADBBJSA-N 369.421 1.742 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 11413299 GJKPIRFMDJDQLW-CYBMUJFWSA-N 371.386 1.473 0 40 FDAB C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 46346557 PQQTWTDPSDUFPY-ZDUSSCGKSA-N 356.378 1.980 0 40 FDAB O=C(CN1CCC(CCc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 29806489 KGEQEIRDWAKZCO-SFHVURJKSA-N 364.511 1.635 0 40 FDAB O=C(NCCN1CCOCC1)c1nc(N2CCCCC2)ncc1Cl 42765814 XNYLATITGUYDGQ-UHFFFAOYSA-N 353.854 1.182 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C)cc1 24035265 MEGUDSIQYSVIMK-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB CCn1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c(C(N)=O)n1 28305742 GLXGONDXHOLYNM-MRVPVSSYSA-N 358.324 1.725 0 40 FDAB Cc1csc(=O)n1CCCC(=O)OCCN1C(=O)c2ccccc2C1=O 26584026 PAFIMTOXKAHGQS-UHFFFAOYSA-N 374.418 1.838 0 40 FDAB Cc1cc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)no1 57486028 ACDBVCUIQPCMEO-UHFFFAOYSA-N 362.411 1.816 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H](C(F)(F)F)C1 10290143 ZTMVBMZUYQDIKG-LLVKDONJSA-N 369.343 1.881 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccnn1C[C@@H]1CCOC1 58291503 DEUVFPXPQZKALT-AWEZNQCLSA-N 353.386 1.077 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 10640632 JJQFDVOCHIGQBI-ZDUSSCGKSA-N 357.410 1.657 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CN1C(=O)CNC1=O 10641733 HXZGHPQAUFGYKL-UHFFFAOYSA-N 367.361 1.762 0 40 FDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)s1 7688312 NKBUAHSMRMRHMQ-ZETCQYMHSA-N 355.279 1.704 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@H]1COc2ccccc2O1 3369898 YMGDOYXMFNGRRJ-GOSISDBHSA-N 353.374 1.955 0 40 FDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1CCS(=O)(=O)C1 12853676 RBHWNGDMVPHWRZ-ZDUSSCGKSA-N 351.403 1.545 0 40 FDAB O=C(c1ccccn1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12806651 OWXIZHSCDAFVTH-QGZVFWFLSA-N 353.378 1.206 0 40 FDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 12863899 QFQRKJZECBTCLY-KRWDZBQOSA-N 357.385 1.537 0 40 FDAB COC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 8157084 FUXHZIBOKXKEOP-ZDUSSCGKSA-N 350.440 1.659 0 40 FDAB Cc1cccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 14199878 YKBIAKWOURFZJP-CALCHBBNSA-N 367.515 1.467 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306140741 VCVZPPFHNNWOCH-OXJNMPFZSA-N 374.485 1.665 0 40 FDAB CCN(CC)CCN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 19940153 DJKISOIIMXZWFX-DTQAZKPQSA-N 374.441 1.483 0 40 FDAB CC/C=C(\C)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 96309307 URKKPEAESWKCLI-WLRTZDKTSA-N 362.455 1.752 0 40 FDAB Cc1c(C(=O)NC[C@@H](C)C(=O)OC(C)C)sc2ncn(C)c(=O)c12 72300951 FBWJUFYBXZMMNM-SECBINFHSA-N 351.428 1.621 0 40 FDAB 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1.479 0 40 FDAB O=C1C[C@@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 72327527 UHPHOMHQXAPMIT-FQEVSTJZSA-N 372.421 1.262 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)C(=O)NCCC2 211129399 PTQZVQBRDMWYKK-ZANVPECISA-N 359.407 1.986 0 40 FDAB O=C(COc1coc(CN2CCOCC2)cc1=O)NCc1ccccc1 49546478 YLGFGBKXDDLPEY-UHFFFAOYSA-N 358.394 1.167 0 40 FDAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCCN(C)C)n2)c1 49546151 ADADXWGEOCQICT-UHFFFAOYSA-N 366.805 1.392 0 40 FDAB CCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225884646 PYLJNTWRZZXNHS-UHFFFAOYSA-N 350.492 1.610 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1 226687673 CNRCDQLZJYLHET-UHFFFAOYSA-N 352.387 1.211 0 40 FDAB Cc1csc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 578218084 QAJBIEMPHCXERK-CYBMUJFWSA-N 358.485 1.459 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3nccs3)N=C2O)cc1 95476351 OWNFGWRXAHIYRC-GFCCVEGCSA-N 360.395 1.805 0 40 FDAB Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2 96197678 QGKMYHMKTVKFEP-UHFFFAOYSA-N 357.414 1.085 0 40 FDAB Cc1oncc1C(=O)N1CCC2(CC1)C[C@H](NC(=O)c1ccccn1)CO2 96221102 GWAFMDATCWECDZ-AWEZNQCLSA-N 370.409 1.572 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 249703404 ZSXZJAXELPEUBS-GUYCJALGSA-N 366.439 1.806 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230809 ZHTHIOFSQYRLSB-FLTUCWPJSA-N 364.829 1.927 0 40 FDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)CCc1ccccc1Cl)C2 247915940 ZLLFMNMRGAIQDA-CQSZACIVSA-N 371.886 1.935 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)n1 257316606 VGGSPQNVAZAIFF-MRXNPFEDSA-N 355.442 1.419 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCN 257333109 YAESXVATUIIXGJ-LJQANCHMSA-N 357.458 1.158 0 40 FDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)COc2cccnc2)n1 257240762 HVCIUMJCNFFDMP-HNNXBMFYSA-N 357.414 1.225 0 40 FDAB Cc1cc(-c2cc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc(C)n2)[nH]n1 257207390 BHNFFLNLNADPMR-ZDUSSCGKSA-N 364.475 1.469 0 40 FDAB COc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257278575 OCUWZCDCZUFSMB-IBGZPJMESA-N 356.426 1.589 0 40 FDAB Cc1cc(CN)oc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 638319494 REMWYRONUHQTEX-KBPBESRZSA-N 363.437 1.465 0 40 FDAB CN(CCN(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)COc1cnn(C)c1 1615612385 XXGZMRIPBQRIDH-JYJNAYRXSA-N 362.474 1.542 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cnn(C[C@H]2CCCCO2)c1 390828168 PGUNEFXMFHCEMZ-CQSZACIVSA-N 356.382 1.999 0 40 FDAB O=C(CN1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 585271487 GZMQKWWEUHEUNN-IRXDYDNUSA-N 352.862 1.567 0 40 FDAB CC(=O)NCCCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111029 AWEQZGWKOHSQNT-GOSISDBHSA-N 370.453 1.578 0 40 FDAB COc1ccc(CN2CCC[C@](O)(CCC(=O)N(C)C)C2)c(OC)c1 585278233 ODWQSWHCLKPFLK-IBGZPJMESA-N 350.459 1.899 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@@H]3[C@H]2CCCCN3C(C)=O)CC1 585283998 QNFOMBDMSAJBBX-QZTJIDSGSA-N 351.491 1.225 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@@H]3CN(Cc4csc(C)n4)C[C@@H]3C2)n[nH]1 585107581 IUKCKCXTDHDQMC-BETUJISGSA-N 359.455 1.581 0 40 FDAB COC[C@@]1(CC(N)=O)CN(C(=O)c2c(C)n(C)c3ccccc23)CCO1 585277696 KNMJQALPUSYHAY-LJQANCHMSA-N 359.426 1.220 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3cccc(F)c3)C2)C1 685941655 FRVHQSNDBQEGLF-TZWLIRKLSA-N 359.401 1.034 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1CNC2 685943623 ZPOODLNDOUOFHY-MLGOLLRUSA-N 355.442 1.655 0 40 FDAB COCCN1CCC[C@@H]1COC(=O)c1cc(OC)c(OC)c(OC)c1 79096038 WQIBUKIPBXOCNN-CQSZACIVSA-N 353.415 1.980 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)n1 273439520 BHJMJKLXECCIAP-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1 178735838 FLCWBWULSBTMMM-LBPRGKRZSA-N 352.250 1.515 0 40 FDAB COc1cccc(NC(=O)c2c(O)n(-c3cccc(OC)c3)n[n+]2C)c1 5274775 OHNVSLFZVNZGBY-UHFFFAOYSA-O 355.374 1.672 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3noc4c3CCCC4)C[C@H]21 12120142 CBFQLJDWZOYGGH-RISCZKNCSA-N 354.410 1.747 0 40 FDAB O=C(CN1CCSC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 14701178 GLZOQPGDKCXQOO-OAHLLOKOSA-N 367.446 1.484 0 40 FDAB CC[C@@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1 19500642 GFWZJSORRYRAHN-KRWDZBQOSA-N 374.489 1.597 0 40 FDAB CCn1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19748083 RNEAIZFZNONONE-GFCCVEGCSA-N 366.418 1.691 0 40 FDAB CCc1nc(C)c(CN2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)[nH]1 643587130 WVAGTFJDFZAZCM-DOTOQJQBSA-N 370.453 1.813 0 40 FDAB Cc1cc(CNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)cc(C)n1 572987402 XFDUALCISKQZJI-INIZCTEOSA-N 370.457 1.260 0 40 FDAB C[C@@H](c1ccccc1)n1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 23115308 WESUXQVXSJSQCN-ZDUSSCGKSA-N 353.426 1.643 0 40 FDAB c1nc(N2CCCC2)cc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889139836 HUGFOCYVGCZVQX-UHFFFAOYSA-N 350.430 1.446 0 40 FDAB O=C(C1=NN(c2ccccc2)C(=O)CN1)N1CCN(c2ccccc2)CC1 30585674 ZAIROOIWRKYUHD-UHFFFAOYSA-N 363.421 1.285 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)N3CCOCC3)C2)cc1C 2037915917 AXIGDDDJKOEEBE-FQEVSTJZSA-N 362.470 1.368 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(c5nccc(OC)n5)C[C@@H]4C3)nn12 2087044513 QBDNOWJHIBQJEC-STQMWFEESA-N 366.429 1.058 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4csnn4)C3)C2=O)n1 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1.333 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](CNC(=O)c3ccco3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 3851468 OBTBBJPBCHWTRO-BGPZULBFSA-N 353.371 1.406 0 40 FDAB COCCNC(=S)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4132296 XSXHAFVZVDQLRJ-UHFFFAOYSA-N 363.483 1.460 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)cc1 4986811 AREQGYLVJCGJFM-WMZOPIPTSA-N 369.421 1.979 0 40 FDAB COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)N1CCOCC1 8113116 FNSRQPKFVXVOTC-UHFFFAOYSA-N 364.467 1.704 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 41165907 NBJNEFWUPZFONI-IILDEKEXSA-N 354.516 1.991 0 40 FDAB COc1ccc([C@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)cc1 52712908 LGVXRGYIJUEESV-HNNXBMFYSA-N 364.833 1.917 0 40 FDAB CCc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CC 806622 YWRQMEUICARAFI-KRWDZBQOSA-N 360.439 1.771 0 40 FDAB COC[C@H](O)CN1CCC(NC(=O)Nc2cnc3ccccc3c2)CC1 89682721 FAMBCOPZXAEVPF-QGZVFWFLSA-N 358.442 1.828 0 40 FDAB COC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(C)(=O)=O)CC1 25184924 GULOBVAPOJOFPT-UHFFFAOYSA-N 366.439 1.034 0 40 FDAB CC(C)N(C(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 24243838 FSOKFVGEWREJQO-JKSUJKDBSA-N 352.523 1.305 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1 1515102 SCFQJARPMPILHV-VXGBXAGGSA-N 356.831 1.832 0 40 FDAB COc1ccc(CNC(=O)N[C@H](C)C(=O)NCC(F)(F)F)cc1OC 56345754 DIZFLZNMXJIYGF-SECBINFHSA-N 363.336 1.570 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC(=O)N(C)C1 58265194 OLPXJJYBAAYLAF-NHYWBVRUSA-N 351.834 1.441 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)on1 44975218 IDZMEFFADFVGAS-UHFFFAOYSA-N 369.425 1.471 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)C[C@H](C)CC3 2239063 TXPSLAVGQZPNHE-BDAKNGLRSA-N 359.455 1.883 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCc3ccccc3C1)C2=O 36386286 JTFQNPZXCMHOMY-UHFFFAOYSA-N 370.453 1.577 0 40 FDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC[C@@H]1CCCO1 3440691 UZTBCGNCQIHINJ-SFHVURJKSA-N 369.417 1.761 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccnc1-n1cncn1 13012026 WGNLXKQELVDBHL-UHFFFAOYSA-N 361.365 1.171 0 40 FDAB 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COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1 6784851 VZFIENOTHZZMJP-SFHVURJKSA-N 373.434 1.840 0 40 FDAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 4951628 XADQOSADWRTNTI-UHFFFAOYSA-N 359.334 1.968 0 40 FDAB NC(=O)CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 67317610 KVFWOYIDKCYELY-UHFFFAOYSA-N 358.320 1.144 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc(Br)c3)cnc21 8733998 MDNRHFFVZBSTQN-UHFFFAOYSA-N 362.187 1.531 0 40 FDAB COCCNC(=O)CNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 8746157 IFYKUANPBBFKQM-UHFFFAOYSA-N 369.270 1.651 0 40 FDAB C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-n2cncn2)cc1 9586854 SOCVSVDGLLQELZ-ZDUSSCGKSA-N 360.381 1.734 0 40 FDAB CC1([C@@H]2CCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)OCCO1 96011022 LLEFHFZZOZMBEA-RTBURBONSA-N 374.481 1.889 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)N(C)CC(=O)N(C)C)c(Cl)cc12 9305579 YJECPSUZOAEXHV-UHFFFAOYSA-N 366.801 1.680 0 40 FDAB COc1cc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9762275 PLNCPUZEWKCJIA-ITKZLYELSA-N 355.412 1.029 0 40 FDAB Cc1ccc([C@H](N[C@@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 97019957 BFIQOWGZHOQVOU-MSOLQXFVSA-N 358.463 1.966 0 40 FDAB CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 84457036 OJUJUXYRICVDGE-INIZCTEOSA-N 372.473 1.357 0 40 FDAB CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944816 WLWPQMALLRYWBJ-UHFFFAOYSA-N 355.441 1.523 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)nn1 95997886 AUPDQKSNIRICFM-UHFFFAOYSA-N 357.389 1.411 0 40 FDAB c1ccc(OCC[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306130599 JKRYUMKFPYSSBO-OAHLLOKOSA-N 366.425 1.974 0 40 FDAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccncc5)CC4)nccn23)cn1 306141937 WKVALRLZYIQIIY-UHFFFAOYSA-N 374.452 1.847 0 40 FDAB CC(C)(C)OC(=O)N1CC[C@@]2(COCc3cnc(S(C)(=O)=O)nc32)C1 503853015 UNBGXDKKOSTRFB-INIZCTEOSA-N 369.443 1.289 0 40 FDAB CN(C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53)c1ccc(N2CCOCC2)nc1 515001631 WSNMUCKNLPWDFS-CTOUPUGWSA-N 365.433 1.208 0 40 FDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2nn(C)c3ccccc23)C1 529318445 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CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 585110089 HWBJQWCNEAXBQP-GDBMZVCRSA-N 368.437 1.301 0 40 FDAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cnccn1 585097362 JOBDPELJWZNDPV-GFCCVEGCSA-N 354.414 1.101 0 40 FDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccn2)C1 585285124 OAXNDLMJYYJKSK-PZJWPPBQSA-N 369.465 1.128 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2ccccn2)n[nH]1 585094789 MXTLIEZAUDBHAN-KRWDZBQOSA-N 352.442 1.990 0 40 FDAB Cc1ncoc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153826 FIPQIECMOMFRIT-GOSISDBHSA-N 359.357 1.770 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 5157019 AGIVSTIKIRMTOP-UHFFFAOYSA-N 352.350 1.592 0 40 FDAB CCc1nn(CC(=O)NCc2cccnc2)c(=O)c2cc3ccsc3n12 12088512 KVYNOGUXIDZTMN-UHFFFAOYSA-N 367.434 1.985 0 40 FDAB CN1[C@@H](C(=O)Nc2cccnc2)C[C@@H](c2cccs2)NS1(=O)=O 12088684 YKQQHCRJXDKEKO-NWDGAFQWSA-N 352.441 1.361 0 40 FDAB COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)cc1Cn1cccn1 12145340 JJZKEYBFAFPIHF-UHFFFAOYSA-N 365.437 1.890 0 40 FDAB CN(C)[C@@H](CNC(=O)C1Oc2ccccc2O1)c1ccc2c(c1)OCO2 12203751 XLWKUYDYJUIYBS-ZDUSSCGKSA-N 356.378 1.932 0 40 FDAB COCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16187813 VYLXUUUGJDPSKA-UHFFFAOYSA-N 364.851 1.122 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 18104429 MZHIMASDIYAXTM-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB COc1ccc2sc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)nc2c1 19460085 ZZOOTNUOVXAOPY-QGZVFWFLSA-N 374.422 1.964 0 40 FDAB COc1cc(CCC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)on1 19550401 BHFKCCRDYGVUEV-GFCCVEGCSA-N 368.393 1.868 0 40 FDAB CO[C@H]1[C@H](CNC(=O)Cn2ccc3ccc(F)cc32)COC[C@H]1OC 643585424 JJMKAKWIOANAEL-QBIMZIAESA-N 350.390 1.573 0 40 FDAB O=C1CCCN1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585946 FTGVTZAPPUZBFX-MBOZVWFJSA-N 358.438 1.145 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1F 245171824 XWZJTEHNAQZKEG-HFBAOOFYSA-N 359.419 1.839 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccsc3)CC2)C1=O 253397915 GFFKPLUNSAAXTB-UHFFFAOYSA-N 351.428 1.263 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(S(=O)(=O)c2cnc[nH]2)C3)nc1 1888868558 GDGLCUWQAAJGSL-BBRMVZONSA-N 363.443 1.378 0 40 FDAB CSc1nc(C)cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888888154 JMCDVOXDQNGQTP-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB O=S(=O)(NC1CCN(c2nccn3nc(C4CC4)cc23)CC1)C1CC1 1889138867 NRVWCMZHKDGMES-UHFFFAOYSA-N 361.471 1.657 0 40 FDAB CS(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1 1775963906 JFTOOJHMUUZBHB-LBPRGKRZSA-N 368.390 1.122 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1776001441 SMSNGTSJAVIAGR-UHFFFAOYSA-N 350.419 1.754 0 40 FDAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1146882832 PDRWYCBKVHNCTB-LJQANCHMSA-N 367.409 1.477 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCn2c(COc3ncccn3)nnc2C1 1565545834 QBIJBNGCOAZHFI-UHFFFAOYSA-N 350.329 1.035 0 40 FDAB O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565544582 MIIYHOCJNQSNQD-ZDUSSCGKSA-N 355.398 1.299 0 40 FDAB CC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 7425906 KJGPOTUDYXXYLQ-UHFFFAOYSA-N 358.423 1.163 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)CC3CC3)CC2)[nH]1 2055746039 DEQVICIQHWFRNI-UHFFFAOYSA-N 359.474 1.038 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]2OCC[C@H]21 2055747148 LBFOTCZPEHMOIC-GRDNDAEWSA-N 354.397 1.564 0 40 FDAB Cn1ccc(=NC(=O)C2(Nc3ccccc3)CCN(C(=O)C3CC3)CC2)[nH]1 2055759284 GVTPBTGMFAIZJI-UHFFFAOYSA-N 367.453 1.664 0 40 FDAB Cc1nc2ncnn2c(N2CCCN(c3ccc4nccn4n3)CC2)c1C 2086868802 LMSCYXOTKZSARP-UHFFFAOYSA-N 363.429 1.501 0 40 FDAB O=C(c1cncc(Br)c1)N1CCN(CCn2ccnc2)CC1 77119312 ZNWVXTQKLWQCBF-UHFFFAOYSA-N 364.247 1.499 0 40 FDAB Cn1c(O)c(C(=O)NNC(=O)c2ccccc2Cl)c(=O)c2ccccc21 5447799 VCVRZZQVXKENHO-UHFFFAOYSA-N 371.780 1.972 0 40 FDAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)c1nccnc1N 50691689 DTDYPJLCFOYUFM-UHFFFAOYSA-N 358.442 1.890 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 7774827 HVUWBIQAGORJKR-UHFFFAOYSA-N 370.409 1.273 0 40 FDAB CCN(CC)CCn1c(=O)c2ccccc2n(CCN(CC)CC)c1=O 1608633 AXDCLGFGKORUQH-UHFFFAOYSA-N 360.502 1.847 0 40 FDAB Cn1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@@H]32)c2ccccc21 100849847 GDCBDHYZDGAKAU-QJPTWQEYSA-N 371.443 1.807 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)n1cnc2ccccc21 31717730 ABAROUJHXLUZRH-CYBMUJFWSA-N 364.409 1.567 0 40 FDAB COc1cc(NC(=S)NCCCN(C)C)c(OC)cc1NC(C)=O 4241893 MNSFHWLQYHPIBI-UHFFFAOYSA-N 354.476 1.900 0 40 FDAB CCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2F)s1 4553574 WMVKIUMYTSMARQ-UHFFFAOYSA-N 365.419 1.946 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)cn1 6606531 TVDQEQUVKOITNY-UHFFFAOYSA-N 358.741 1.767 0 40 FDAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)c1 10111443 ZQMJBHQNSBBIDV-OAHLLOKOSA-N 355.504 1.526 0 40 FDAB C[C@H](NCc1cc(=O)n2ccsc2n1)c1ccc(S(N)(=O)=O)cc1 8403902 XKTIQVOEXOFTNK-JTQLQIEISA-N 364.452 1.254 0 40 FDAB CCC(C)(C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32745390 LEEYQAQECZVJIJ-UHFFFAOYSA-N 370.500 1.618 0 40 FDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1nnc2ccccn12 32902510 PHWKHEBPKFRZLA-UHFFFAOYSA-N 351.366 1.309 0 40 FDAB CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2C[C@@H]1C 32917495 DFHXGQSEULUZCM-ZBEGNZNMSA-N 368.455 1.762 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103623006 NGASZZXGCLUKIO-OKILXGFUSA-N 358.394 1.549 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(c2ncccn2)C1 53526570 RKOYWSQCYABGND-GFCCVEGCSA-N 350.386 1.512 0 40 FDAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccco1 47428900 HITSAVZEQJBXNW-CYBMUJFWSA-N 363.439 1.953 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C[C@@H](C)O1 12551105 CQTZZHSXCILGAH-ARGWCVDVSA-N 371.437 1.102 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)Cn3cnc4sccc4c3=O)cc12 24032977 UUFPQFNTWUKZFX-UHFFFAOYSA-N 354.395 1.687 0 40 FDAB Nc1nc(COC(=O)Cn2cnnn2)nc2sc3c(c12)CCCCC3 12543616 ZQQPJLFQZDHESJ-UHFFFAOYSA-N 359.415 1.272 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(C)c2)ccc1OC 24585114 WNASVNIHPKVQCE-UHFFFAOYSA-N 366.443 1.712 0 40 FDAB C[C@@H]1CCN(C(=O)COC(=O)CNC(=O)C2CC2)c2ccccc2S1 47846541 HSVLCTPFDHLLCP-GFCCVEGCSA-N 362.451 1.973 0 40 FDAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)o1 25450355 VUEMNEXHXOWEOO-UHFFFAOYSA-N 356.334 1.918 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc3c(c2)CCC3)C1 56008480 LGCPFCSUOZLOCF-MRXNPFEDSA-N 366.483 1.342 0 40 FDAB CC(C)(CNC(=O)c1csc(I)c1)C(N)=O 107559271 FDDLCDGRXWFSQA-UHFFFAOYSA-N 352.197 1.594 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 43936352 QQDJFHFRRLYZGJ-AAEUAGOBSA-N 368.455 1.935 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 44859739 DOPQIQCWHVOVMH-CQSZACIVSA-N 359.474 1.446 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 3327035 QTVPGGGXZIXIFY-JLTOFOAXSA-N 355.438 1.867 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc2C1 3448360 RPFLDHZNMCVVDP-CYBMUJFWSA-N 369.446 1.699 0 40 FDAB COc1ccccc1CCNC(=O)COn1nnc2ccc(Cl)cc21 12973281 BPKAHXXGBLOLJQ-UHFFFAOYSA-N 360.801 1.881 0 40 FDAB Nc1c(C(=O)NCc2ccco2)sc(=S)n1CCN1CCOCC1 13730408 OOYGOMBOPSMIEG-UHFFFAOYSA-N 368.484 1.716 0 40 FDAB Cc1cccc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)c1 4383926 AAXFSJHSHOPMQF-UHFFFAOYSA-N 356.407 1.812 0 40 FDAB COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)cc1 8326931 ZQVJFTQZVYPBPV-BLVKFPJESA-N 359.426 1.605 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 14185570 NSBXXHICALXSDK-BBRMVZONSA-N 354.472 1.920 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)CSc3ccccc32)C1 4591028 UYKHDWRGKMZZSH-CYBMUJFWSA-N 362.451 1.927 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CN2CCCC2=O)o1 6610007 VIGRYLIFMGVKQE-NWDGAFQWSA-N 352.460 1.979 0 40 FDAB COC(=O)C1=NO[C@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 4783853 IAJFZNABPJEIJR-AWEZNQCLSA-N 356.256 1.657 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NC1CCCC1 4999831 GZNXQULKXSOGBJ-UHFFFAOYSA-N 367.405 1.863 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 7081323 XAGKPACIISNBHB-LJQANCHMSA-N 367.409 1.369 0 40 FDAB C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@@H](C)O1 15341401 YLHGJEZQDFHTHD-CHWSQXEVSA-N 372.512 1.785 0 40 FDAB Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 7548056 QSPGWAPMJXOAHK-SECBINFHSA-N 363.395 1.624 0 40 FDAB CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCOCC)n(C)c1=O 8725147 HCAHUXIMXXOLCD-GFCCVEGCSA-N 362.434 1.100 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1C)CC(O)=N2 71280177 VTTYPXJTTIDIJV-NEPJUHHUSA-N 363.443 1.717 0 40 FDAB COC(=O)CNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 71285522 FHHIPAZNDISXPO-UHFFFAOYSA-N 365.389 1.277 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C 9458343 TWHJGVLOSTZAOX-UHFFFAOYSA-N 350.415 1.858 0 40 FDAB in-vitro CCONC(=O)c1cc(OC)c(OC)cc1I 72071508 FHBPINFTDSMOLT-UHFFFAOYSA-N 351.140 1.990 0 40 FDAB CCCOc1cc(C)ccc1NC(=O)NC[C@@H](O)CN1CCOCC1 89960270 NCPBCSOLAIBDDF-OAHLLOKOSA-N 351.447 1.598 0 40 FDAB Cc1nsc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)n1 72298027 XVSCZGXCINWIDW-UHFFFAOYSA-N 354.867 1.662 0 40 FDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)Cc1ccc2c(c1)CCC2 84452492 UDUQZQPXWCXVAE-KRWDZBQOSA-N 365.433 1.699 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1F 78815611 DGOOBPMTPGUTEV-CFVMTHIKSA-N 354.447 1.860 0 40 FDAB CCOC(=O)N1CCC[C@H](C(=O)NC2(C(=O)OC)CCSCC2)C1 95444084 BPUAHFHDDVNGRH-LBPRGKRZSA-N 358.460 1.410 0 40 FDAB Cc1c(CC(=O)N2CCC[C@H](c3nnc(O)o3)C2)nnn1-c1ccccc1 507884664 ASPPCAREXWBQTI-ZDUSSCGKSA-N 368.397 1.613 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 35311567 ZVMICAYDUYOZSD-ZDUSSCGKSA-N 355.460 1.034 0 40 FDAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1cccs1 56997477 OZFXVTIBTPKNOK-UHFFFAOYSA-N 351.497 1.849 0 40 FDAB CC(=O)Nc1ccc(Oc2nccnc2C2CCN(CC(N)=O)CC2)cc1 72361822 RLIOZGKSXGRGEB-UHFFFAOYSA-N 369.425 1.892 0 40 FDAB Cc1nnsc1C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O 211075268 HLSDBMDBQGHTPY-UHFFFAOYSA-N 360.399 1.230 0 40 FDAB O=C(CN1CCCC[C@H]1c1nc(O)n[nH]1)NC1C2CC3CC(C2)CC1C3 567214651 IBPOFCYMDXSPAT-RWUOKQAASA-N 359.474 1.978 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)NCc3ccn(C4CCCC4)n3)CCN2C)n1 568671391 QQLMOKOJXLOTET-INIZCTEOSA-N 373.461 1.888 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)C 224970738 VOWNGVQJLNVCAV-INIZCTEOSA-N 371.503 1.308 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1nccn1C)C1CCOCC1 569993924 NKJATCRWZCZWPV-ZDUSSCGKSA-N 354.432 1.471 0 40 FDAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c1ccc2c(c1)OCO2 225207605 JFMOJZKZTDTTCU-LBPRGKRZSA-N 356.444 1.732 0 40 FDAB Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc12 329892741 JDSAKGNBVGMXEF-NHYWBVRUSA-N 361.427 2.000 0 40 FDAB O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(S(=O)(=O)C1CC1)C2 96159769 ZIGBMEQRWSAEIL-QGZVFWFLSA-N 352.431 1.742 0 40 FDAB CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 333001131 CVJJUYZXJRKHAX-LSDHHAIUSA-N 368.397 1.588 0 40 FDAB CN1C[C@H](C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)CC1=O 238955427 XWGPGSYSYHZZIH-GFCCVEGCSA-N 373.482 1.702 0 40 FDAB COc1ccc(C(=O)CNC(=O)COc2ccccc2-n2cnnc2)cc1 95475901 YHDAZYBZFOZRFO-UHFFFAOYSA-N 366.377 1.654 0 40 FDAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)O2)CC1 96057504 GEBRPUMBGXRUDQ-RBSFLKMASA-N 350.488 1.039 0 40 FDAB Cc1occc1C(=O)N1CCC2(CC1)CN(c1cnn(C)c1)C(=O)CO2 96159179 ILJMZNQBUZDHJI-UHFFFAOYSA-N 358.398 1.360 0 40 FDAB COCCNC(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247881822 QDPUGBAUSHSGID-MRXNPFEDSA-N 372.425 1.321 0 40 FDAB CC(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257230196 GBGVCSAGXHUQBA-CKEIUWERSA-N 350.463 1.620 0 40 FDAB Cc1c(C(=O)N2CC[C@](F)(CO)C2)nnn1-c1ccc2ncccc2c1 585080622 RYUNALRTHGBFFD-GOSISDBHSA-N 355.373 1.670 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1 257209304 BPVJDGKVSKPCBE-MJGOQNOKSA-N 359.470 1.435 0 40 FDAB CCCn1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257226872 FMMZKQXUYSZLJP-NSHDSACASA-N 351.432 1.049 0 40 FDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 252490031 KHRMGSRNNGJCSP-HNNXBMFYSA-N 354.428 1.597 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)s1 260800829 YQLQKYPDJGEJQZ-LPEHRKFASA-N 358.489 1.990 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(c2ccon2)CC1 661180425 WOZBSOJYLNETKG-AWEZNQCLSA-N 370.475 1.378 0 40 FDAB C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](c2ccccc2)CO1 608256701 DTMPJLGYWMUCBI-KSSFIOAISA-N 364.405 1.780 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2cccc(F)c2)c2cccc(O)c2)C1 575422300 URODARMXZOUZCD-IAGOWNOFSA-N 351.399 1.696 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)Cc3nc(C)no3)C[C@H]1CN(CC)C2 585108209 VNGCUHLXRVXTKM-KDOFPFPSSA-N 364.446 1.044 0 40 FDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2cnc(C)nc2)C1 585268911 DJEVUYKXOMAJCH-IBGZPJMESA-N 357.410 1.722 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)n1 585108277 MTPWLLLNDUDHHC-OWCLPIDISA-N 357.414 1.047 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2cc(S(C)(=O)=O)ccc2C)s1 42318779 ROASHFZWYXTUMW-UHFFFAOYSA-N 373.477 1.887 0 40 FDAB CC[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O 49180803 VDRDRMCAECTSGB-GTNSWQLSSA-N 353.371 1.055 0 40 FDAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615589840 LFCZEDKIRLKIFH-LSDHHAIUSA-N 366.483 1.393 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2cccc(C)n2)c1 11701444 UEXWWKKUROYPPJ-UHFFFAOYSA-N 361.423 1.900 0 40 FDAB O=C(CCn1cccn1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12407994 VRAULLAPYPSFOE-UHFFFAOYSA-N 368.397 1.830 0 40 FDAB C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 13000401 SPPQQYRLECRUHJ-GFCCVEGCSA-N 354.453 1.716 0 40 FDAB C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccs1 14076985 PEBPDRWAUUVIDB-WDEREUQCSA-N 369.468 1.091 0 40 FDAB Cc1cc(Br)ccc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 15332719 HULRWWJOUSOKTB-LLVKDONJSA-N 361.261 1.473 0 40 FDAB CN1C(C(=O)NC2CCCC2)=CC(c2ccc(F)cc2)=NS1(=O)=O 15673377 BMNHQCSGDYTHKV-UHFFFAOYSA-N 351.403 1.748 0 40 FDAB CCN1CCN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)CC1 19527848 BFPRISHTEPIGPG-UHFFFAOYSA-N 353.488 1.234 0 40 FDAB COc1cc(CCC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)on1 19590597 PIJBSEGMVDHFFR-ZDUSSCGKSA-N 371.441 1.410 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2nc3ccc(Cl)cc3n2C)C1 643757173 JISQEKCDWZPLMO-KRWDZBQOSA-N 350.850 1.690 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CC(F)(F)C5)C[C@@H]4C3)ncnc21 1888866537 HNDLTTMXLJWIDY-RYUDHWBXSA-N 362.384 1.303 0 40 FDAB O=C([C@H]1CCOC1)N1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888876139 JODHZPGWJDBCQR-AWEZNQCLSA-N 372.400 1.673 0 40 FDAB Cc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)s1 18184991 YLOPKNLOKQJFRX-UHFFFAOYSA-N 354.457 1.827 0 40 FDAB O=C(c1cc[nH]n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565552316 ZMHHBXRZOBBTAV-UHFFFAOYSA-N 355.442 1.560 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)C3CC(C)C3)CC2)N1S(C)(=O)=O 1565547823 XVLXGYFWKUDWLV-YMAMQOFZSA-N 358.504 1.464 0 40 FDAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)N1CCOCC1 4376949 ZYYRLUDKHMMSTC-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272653 HGOJUINVMQHLJO-UHFFFAOYSA-N 374.418 1.546 0 40 FDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352406 QZRNJAMKXLOZQE-OAHLLOKOSA-N 366.845 1.801 0 40 FDAB CN1CCN([C@H](CNC(=O)NC(C)(C)C)c2ccc3c(c2)OCO3)CC1 22577240 QYWMFYMEUMGBAM-OAHLLOKOSA-N 362.474 1.802 0 40 FDAB CN(C)S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775974247 ZGIYTMFOVCZQCW-UHFFFAOYSA-N 365.434 1.210 0 40 FDAB Cc1ccc(NC(=O)CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)cc1 2086875526 WHYUFMPDADGUJQ-UHFFFAOYSA-N 365.499 1.822 0 40 FDAB Cc1cnc(-n2nnc(C(=O)N3CCN(c4ncccn4)CC3)c2C)s1 49032469 RUJAHCNDFOWPRH-UHFFFAOYSA-N 370.442 1.093 0 40 FDAB O=C(NCCCn1cccn1)c1cn(C[C@@H](O)c2ccccc2F)nn1 225581185 UZKGAXOLNOFXKV-MRXNPFEDSA-N 358.377 1.167 0 40 FDAB Cc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c(C)c1 22997007 BFYOLLMMWOQYHD-KRWDZBQOSA-N 363.458 1.397 0 40 FDAB C[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccn(C)c(=O)c1 40150479 GGTLKCLNJURHDB-CQSZACIVSA-N 362.451 1.347 0 40 FDAB Cc1cc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)no1 40153991 UQIQEOHRTLPLDP-UHFFFAOYSA-N 367.427 1.941 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC(N2CCCC2)CC1 58911222 QCZBRTYJPBQFMO-UHFFFAOYSA-N 366.465 1.997 0 40 FDAB CC(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 51152350 LVOPQUCPBYCHET-UHFFFAOYSA-N 354.248 1.942 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 4065821 RIMPTBZGDBXUFE-LFSVMHDDSA-N 361.195 1.901 0 40 FDAB CN(C)C(=O)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20720557 IWNFLDSUFDTQTL-KRWDZBQOSA-N 362.405 1.139 0 40 FDAB COC[C@@H](C)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O 16694972 HJZQTORYHSMTCS-MNOVXSKESA-N 353.806 1.648 0 40 FDAB CNC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 32770942 NLFCNNPRRLEYLL-INIZCTEOSA-N 365.393 1.105 0 40 FDAB CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298345 PWDMLAUPZUYCJM-UAGQMJEPSA-N 369.469 1.855 0 40 FDAB biogenic,in-vitro Cn1cc2c(n1)C[C@@H]1CC[C@@H]2N1C(=O)CNC(=O)OCc1ccccc1 100777018 SRNHSENVZXHOLL-YOEHRIQHSA-N 354.410 1.935 0 40 FDAB Cc1nc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2n1 8133459 HDFPELQVEWDRJZ-LBPRGKRZSA-N 365.480 1.676 0 40 FDAB CCc1nnc(NC(=O)c2ccc3c(=O)n(C(C)C)c(=O)[nH]c3c2)s1 33244991 QGNJFIVEIYQWBL-UHFFFAOYSA-N 359.411 1.937 0 40 FDAB CCc1nc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2C)cs1 58244858 LMFMNCAIMJYFIQ-UHFFFAOYSA-N 353.469 1.934 0 40 FDAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 8131822 VYZLUOUMERSBGZ-ZDUSSCGKSA-N 367.471 1.101 0 40 FDAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 100033376 KBQPPRAQXKMJBS-SJORKVTESA-N 363.377 1.927 0 40 FDAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)N1CCS(=O)(=O)CC1 103862985 CGPMEWLDDYBUON-UHFFFAOYSA-N 370.446 1.314 0 40 FDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)COC 22624886 GUNXWXOZZZDJBV-JSGCOSHPSA-N 367.471 1.435 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104176146 RDEDTWMRBGOMCX-NYYJTOMGSA-N 366.458 1.875 0 40 FDAB Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2F)n(C)c1=O 851616 YLZHYYFOULNTQP-UHFFFAOYSA-N 371.416 1.611 0 40 FDAB biogenic COc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cn1 23013475 QXGDTLYQUVVYAI-UHFFFAOYSA-N 370.409 1.613 0 40 FDAB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 104198376 CJXLSBLMLVFCIW-YCQQOHMZSA-N 365.364 1.771 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)C[C@H](C)O1 103434877 FXOLBQXCYHZAPZ-YXCPOTLTSA-N 351.443 1.497 0 40 FDAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(C(=O)[C@H]2CCCO2)CC1 47530466 AGGHQZAFDBSQEA-CYBMUJFWSA-N 366.801 1.532 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)c12 102014613 KQDWBQAGZRGCRP-NIUASQORSA-N 366.299 1.952 0 40 FDAB COc1ccc(C)cc1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 26103332 YIOPVACEAIOEQA-UHFFFAOYSA-N 362.451 1.998 0 40 FDAB Cc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(Nc2cccc(F)c2)n1 57506128 QFEKVXXSDICMSL-HNNXBMFYSA-N 360.389 1.730 0 40 FDAB CC(C)(C)NC(=O)c1ccccc1NCC(=O)NCC(=O)N1CCCC1 58192195 CPDQIZLHYASFTI-UHFFFAOYSA-N 360.458 1.365 0 40 FDAB C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 58229697 RBCIXUXRPLNELJ-MGPQQGTHSA-N 366.428 1.422 0 40 FDAB O=C(COC(=O)CNC(=O)c1cccs1)NCCCc1ccccc1 3274471 RCVWTOINHTTZAJ-UHFFFAOYSA-N 360.435 1.770 0 40 FDAB Cc1csc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 10555486 WYSJTVAARVEJFH-UHFFFAOYSA-N 350.425 1.519 0 40 FDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 3362646 DBYBVONEFXLQGX-QGZVFWFLSA-N 360.345 1.918 0 40 FDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 3464521 HBDYQAIFHIPUNU-KRWDZBQOSA-N 369.368 1.827 0 40 FDAB Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C1CC1 3447734 TXJHIROIZVXPEG-UHFFFAOYSA-N 374.470 1.437 0 40 FDAB COC(=O)COc1ccc(Br)cc1/C=C1\NC(=O)NC1=O 13075880 NSZLNYTZKFLOOJ-UITAMQMPSA-N 355.144 1.181 0 40 FDAB NS(=O)(=O)c1cccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 25270775 ZGQLBHXCTMKSLK-OAHLLOKOSA-N 366.826 1.607 0 40 FDAB Cc1c(CCC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)ccc12 4084234 PMNGLYVZJHHWRP-UHFFFAOYSA-N 372.421 1.868 0 40 FDAB biogenic COc1ccc(CNC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021467 NMNUULYVTSTHTM-UHFFFAOYSA-N 369.381 1.223 0 40 FDAB CC(C)NC(=O)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112440 GTWVPANSWQHOTL-UHFFFAOYSA-N 367.203 1.393 0 40 FDAB COC(=O)CC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 20178377 ZERNVPOMMPAMHK-UHFFFAOYSA-N 360.414 1.369 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 14244060 ZQPCCOHKOXQLQP-LLVKDONJSA-N 364.423 1.842 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(N)=O 408619437 HVHIWWWGKJRKAM-UHFFFAOYSA-N 362.451 1.722 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)c1ccnc(OC3CCC3)c1)CC2 90063538 JUFGHMJLPPNOLL-ZDUSSCGKSA-N 357.414 1.496 0 40 FDAB CS(=O)(=O)c1ccccc1N1CCCN(CC(=O)N2CCCC2)CC1 77911581 JCDOXQXBSPDIEP-UHFFFAOYSA-N 365.499 1.225 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCOC)cc(C)c21 71195939 JUYWHLKSJFKCCV-UHFFFAOYSA-N 354.472 1.954 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(C(=O)NC2=NCCS2)c1 71286768 UDUNDEBFTYGEQQ-VXGBXAGGSA-N 361.423 1.815 0 40 FDAB C[C@H](c1cccnc1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005407 PSRVJIIGIRAZRH-CYBMUJFWSA-N 351.472 1.805 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9420920 MQSURSPJXOQMOC-JTQLQIEISA-N 366.468 1.371 0 40 FDAB CC[C@H]1SC(NC(=O)COc2ccc(N3CCCC3=O)cc2)=NC1=O 78968288 DXOPZKYXXWADGV-CYBMUJFWSA-N 361.423 1.716 0 40 FDAB Cc1cc2nc(C(C)C)cc(N3CCC4(CC3)C(=O)NCCCN4C)n2n1 72453480 HYYINMNRQRPLFN-UHFFFAOYSA-N 370.501 1.952 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 20634579 WGBUMFUMMISSLS-HNNXBMFYSA-N 360.410 1.602 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1C 95469781 JWBYGDIIIKUXBX-UHFFFAOYSA-N 372.513 1.872 0 40 FDAB O=C(CN1CCN(C[C@@H](O)c2ccc[nH]2)CC1)Nc1ccccc1Cl 95948603 KLRNAQOHFBMVCO-QGZVFWFLSA-N 362.861 1.958 0 40 FDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1 89368756 MQWYIPHHYLNZJS-YPMHNXCESA-N 355.460 1.018 0 40 FDAB O=C(COc1cccc(-n2cnnn2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 9996174 KQNKMRFIYWSSKL-UHFFFAOYSA-N 366.381 1.488 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)cc1 408616933 BQHWGYQQEUYHSB-ZDUSSCGKSA-N 358.460 1.247 0 40 FDAB CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1OC 39985638 WKBKGVQWZDAYEZ-AWEZNQCLSA-N 370.471 1.309 0 40 FDAB CCN(CC)[C@@H](CN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl 39982538 CPLAMSYXXHLRLI-PMPSAXMXSA-N 360.907 1.470 0 40 FDAB CNC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 534586658 ZWTPJDWCVUELDN-CQSZACIVSA-N 357.376 1.937 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636533 MLKNGGKUPDWZHS-HNNXBMFYSA-N 372.368 1.931 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Oc1ccc2ccc(=O)oc2c1 32990805 LVMPCUPUIOBRFR-UHFFFAOYSA-N 356.334 1.563 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCCc3ccccc3)cc2)n1 44903681 QBRGYRILMUAWEZ-UHFFFAOYSA-N 350.382 1.175 0 40 FDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc(C2CC2)cc1)C1CCOCC1 567691368 VPBASGDJVXLXAX-MRXNPFEDSA-N 353.440 1.970 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(c2ccc(=O)n(C)n2)C1 86071717 YZBYGBUQCAQAIA-CQSZACIVSA-N 356.426 1.952 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1nc2ccccc2[nH]1 47428680 BNPRSIJGXANRJB-NSHDSACASA-N 363.377 1.444 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107405 SNMWYTHSVKIARP-KDOFPFPSSA-N 358.373 1.853 0 40 FDAB O=C(N1CCCC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96062456 IYZNXDSXDWQHKP-QGZVFWFLSA-N 350.488 1.883 0 40 FDAB COCC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)NCC(C)C)CN(C)C[C@@H]21 96143843 RCZYLEDLCBAOOQ-OXJNMPFZSA-N 365.518 1.356 0 40 FDAB Cc1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1 96117968 DSOGSZAQEVGYIR-HNNXBMFYSA-N 352.394 1.882 0 40 FDAB Cc1nnc(COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)o1 245228406 VUJIJDQJJBMWSF-MCIONIFRSA-N 361.398 1.787 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1CN(CC2CCOCC2)Cc2ccnn21 247480060 INOFHIVAXFHBSC-GOSISDBHSA-N 362.474 1.209 0 40 FDAB C[C@@]1(c2ncc(CNC(=O)CCn3ccccc3=O)cn2)CCCCO1 257252913 JWQSWPWGGJDDAG-IBGZPJMESA-N 356.426 1.761 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2cccnc2)C3)nc1 253600769 YKXALTWXYHGTJL-MRXNPFEDSA-N 353.426 1.913 0 40 FDAB O=C(NC[C@]1(O)CCN(c2ncccn2)C1)C1(c2ccccc2F)CC1 257213328 CHBVTLPMYYQFJQ-GOSISDBHSA-N 356.401 1.405 0 40 FDAB Cc1cc(C[C@@H]2COCCN(Cc3cccc(OCCO)c3)C2)ncn1 257324573 WPHOWPNBYXIHHT-SFHVURJKSA-N 357.454 1.847 0 40 FDAB Cn1cnc([C@@H]2CN(c3nc(C4CCC4)no3)C[C@H]2C(=O)NC2CC2)c1 1614995710 GGRMUDRVNKVWBM-ZIAGYGMSSA-N 356.430 1.569 0 40 FDAB CCn1nc(-c2nnc3n2C[C@H](C(=O)OC)CC3)c2ccccc2c1=O 601045679 YDKKKURGAGNPPB-LLVKDONJSA-N 353.382 1.410 0 40 FDAB NC(=O)c1cn(C2CCN(C(=O)N[C@@H]3C[C@]3(F)c3ccccc3)CC2)nn1 624245999 YKORJNVFBRMCTK-QAPCUYQASA-N 372.404 1.361 0 40 FDAB O=C(NCc1cccc2c1CCCN2)[C@@H]1C[C@H](O)CN1c1ccncn1 638237726 VNAIIKIIELXIIT-YOEHRIQHSA-N 353.426 1.091 0 40 FDAB COc1cc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)ccc1C(F)(F)F 668938832 LOHIJWCFDAUOHD-AWEZNQCLSA-N 357.288 1.138 0 40 FDAB CC(C)S(=O)(=O)CCCN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O 675727162 FRSQEACACHUMKZ-INIZCTEOSA-N 360.476 1.468 0 40 FDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCCc2ccco2)C1 680857648 NYLTZBCYRLONKK-INIZCTEOSA-N 354.472 1.923 0 40 FDAB Cn1cnc(N2CC[C@H](Oc3ccncc3Br)C2)cc1=O 1776008530 JSZBDDAMAURJSS-JTQLQIEISA-N 351.204 1.596 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(n2nc(C)cc2C)C1 603880170 YHXKLZGFYXMISO-IBGZPJMESA-N 352.438 1.857 0 40 FDAB O=C(O)CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C1CCOCC1 573724097 QIZJIFZVXIBKTF-UHFFFAOYSA-N 371.393 1.049 0 40 FDAB COc1cccc(C=O)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 584905970 ACXDHFHNMWZSSD-UHFFFAOYSA-N 364.379 1.173 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3cc(C)no3)CC(F)(F)C2)C1=O 585093195 IJDHGMGNGQZIDN-HNNXBMFYSA-N 357.357 1.329 0 40 FDAB O=C(c1cccs1)N1CCc2nc(N3CCCC3)n(CCO)c(=O)c2C1 72347612 ZPQVCMZVRSFUDV-UHFFFAOYSA-N 374.466 1.096 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC(CSCc2ccco2)CC1 85472461 SIQLHMJWBSVHMW-UHFFFAOYSA-N 350.440 1.900 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13522393 QJLVSWMMXNBJGU-NRUUGDAUSA-N 366.336 1.775 0 40 FDAB COc1ccc2[nH]cc(NC(=O)NCCCN3CCOCC3)c(=O)c2c1 13565908 JQHSDGHQDXDCCD-UHFFFAOYSA-N 360.414 1.381 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 13723750 SRAZCRUMAZASQA-CYBMUJFWSA-N 360.443 1.638 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccco1 15674520 OTNWFLBNPHWIFA-UHFFFAOYSA-N 356.429 1.948 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 17301775 AZYONUCUBUNGBC-UHFFFAOYSA-N 362.407 1.895 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 17321682 UHDMQDJQTUBQEQ-UHFFFAOYSA-N 362.451 1.850 0 40 FDAB COc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19554090 YPIDFMUUGGIZMH-HNNXBMFYSA-N 352.438 1.690 0 40 FDAB O=C(NC[C@@H](O)Cn1ccccc1=O)C1(c2ccccc2)CCOCC1 206889424 JIOZJYBQXCFJJJ-QGZVFWFLSA-N 356.422 1.074 0 40 FDAB COc1cccc(CC(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1 618255649 GSSAEVSHUKOSFN-UHFFFAOYSA-N 371.437 1.655 0 40 FDAB CCc1c(C)nc2n(c1=O)[C@@H](CC(=O)N1CCN(CC)CC1)CS2 14035411 IIRADWGPYHCXCN-ZDUSSCGKSA-N 350.488 1.315 0 40 FDAB CCS(=O)(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 19520252 BWMHOKFYARLCHN-ZDUSSCGKSA-N 351.476 1.132 0 40 FDAB CN1CCN([C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)O)CC1 22809433 COZOTGDTSMHHHS-CYBMUJFWSA-N 370.247 1.478 0 40 FDAB COc1ncccc1C(=O)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888856741 JFKSHWQVFPDSLV-HUUCEWRRSA-N 365.437 1.966 0 40 FDAB CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)cc1 25470254 PFHRVQHIMCMQIL-UHFFFAOYSA-N 365.433 1.946 0 40 FDAB COc1ccc(NC(=O)C(=O)NCC2(OC)CCSCC2)cc1OC 252536388 ILIQIESZMBKGGJ-UHFFFAOYSA-N 368.455 1.671 0 40 FDAB O=C(CC1(O)CCC1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565554123 KNFIBKQHYMIDIS-KZNAEPCWSA-N 360.454 1.909 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 1565545245 CAMFRLKRVPIDCB-APWZRJJASA-N 369.425 1.428 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565550529 BFBZLNZDVPVETR-VQIMIIECSA-N 355.442 2.000 0 40 FDAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1cccc2nsnc12 1565523416 NJCVXOFOZUUIQJ-OAHLLOKOSA-N 365.436 1.787 0 40 FDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)CCOc2ccccc2)C1 2055759235 ALDCHIPJLHDBOU-FQEVSTJZSA-N 370.453 1.758 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2sccc2C)CC1 2055745900 NVUWJWCJAOQRAC-UHFFFAOYSA-N 361.471 1.045 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCN1c1ncccn1 618255930 APZVMVAZRSLHCR-CQSZACIVSA-N 350.419 1.871 0 40 FDAB O=C([C@@H]1CCOC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742701 OMMRSAMQIWBENR-CQSZACIVSA-N 355.442 1.293 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3)C2=O)cc1 100033397 FXBHPJHQRJRUDG-SJORKVTESA-N 363.377 1.927 0 40 FDAB CCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 2348036 KGSWBMDCGPCPGG-UHFFFAOYSA-N 369.469 1.866 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1(c2ccc(F)cc2)CC1 100847220 WDXQXNLLGKIQCK-MWDDYTRKSA-N 354.381 1.738 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 2772851 TXOXZPIGFGMWIT-UGUYLWEFSA-N 364.829 1.867 0 40 FDAB C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 6086195 YGOLZAJTHPNOII-CQSZACIVSA-N 361.467 1.171 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)ccc21 101699791 UKFNFNYMWQBYBF-RWMBFGLXSA-N 354.410 1.144 0 40 FDAB N[C@H](CC(=O)O)c1cnc(NS(=O)(=O)c2cccc3ccccc23)nc1 8701486 WZYOSSGDACHMLH-CQSZACIVSA-N 372.406 1.905 0 40 FDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]1 32769047 JLWGBAKUBCQPBP-CQSZACIVSA-N 359.451 1.974 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1 53212464 FHZJDMGCMKTKBT-AWEZNQCLSA-N 367.496 1.689 0 40 FDAB COC(=O)[C@H](CN1CCN(C)CC1)[C@@H](O)c1ccccc1Br 22916221 WDMWPIJVZPESSG-HIFRSBDPSA-N 371.275 1.519 0 40 FDAB NC(=O)N[C@H](CC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1cccs1 54016606 CJXJTWYGUKYGJE-CHWSQXEVSA-N 374.470 1.423 0 40 FDAB O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 23140793 UDOLAAGQPRMWAB-INIZCTEOSA-N 365.393 1.703 0 40 FDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1csc(C)n1)CC2 108529542 JHQNMDXABOXAEV-UHFFFAOYSA-N 351.472 1.943 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Oc1ccc3c(c1)OCO3)C2=O 24008424 QFCFGMIDUKKXGS-BBATYDOGSA-N 360.366 1.821 0 40 FDAB COC(=O)c1ccc(COC(=O)c2ccccc2NS(C)(=O)=O)o1 24536223 IWWNSZYPFSNXEW-UHFFFAOYSA-N 353.352 1.795 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(N)cc(N)n2)c1 7692838 IPKXCUIZOMVWOT-VIFPVBQESA-N 363.443 1.628 0 40 FDAB CCc1nc(N[N+](=O)[O-])nc(-c2nc(N[N+](=O)[O-])nc(CC)c2C)c1C 25573560 GUXDIFAPWCHAPB-UHFFFAOYSA-N 362.350 1.882 0 40 FDAB COc1ccc(C(C)=O)cc1CC(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 58054846 XFDOALYBUZOYFL-UHFFFAOYSA-N 351.366 1.681 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(N)=O)cc1OCC 58172869 IMPOVQVDOMCTBY-ZDUSSCGKSA-N 370.471 1.903 0 40 FDAB Cc1cc(C)c(CNC(=O)COc2cccc(N3CCCC3=O)c2)c(=O)[nH]1 10459460 YLPPQOSFGHIKRD-UHFFFAOYSA-N 369.421 1.814 0 40 FDAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)c1 3381280 DRZXEYXGXPDUER-UHFFFAOYSA-N 371.393 1.933 0 40 FDAB COC(=O)c1cn(CC(=O)NCc2ccc(C(N)=O)cc2)c2ccccc12 48324976 AQBIXIXJZZLARW-UHFFFAOYSA-N 365.389 1.843 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3543832 LMHPNMPWLXJKBO-AWEZNQCLSA-N 371.437 1.857 0 40 FDAB CCc1ccc(CN(C)[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 16374009 CHCAMEFPGNSABH-WMLDXEAASA-N 352.500 1.715 0 40 FDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)c1C 49545140 ISEPCNWHZIZRMQ-UHFFFAOYSA-N 367.413 1.355 0 40 FDAB CCCNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 6110446 FOUPEYDULGVAEI-JTQLQIEISA-N 362.455 1.819 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C(N)=O 4316127 GSESUXNBKGEMST-LLVKDONJSA-N 354.362 1.633 0 40 FDAB COCCN(CCOC)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 14021856 BANJHKSBANXIKO-UHFFFAOYSA-N 368.434 1.824 0 40 FDAB CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C(=O)OC)=C(N)O2 4741516 DJJCSWWZFTUHLZ-GOSISDBHSA-N 354.366 1.336 0 40 FDAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 5797888 XLUHUWXVTJPAHM-SFHVURJKSA-N 372.381 1.787 0 40 FDAB O=C(NCc1nc[nH]n1)c1cnn(-c2ccccc2F)c1-n1cccc1 67685933 XLZCKILKXQMAPG-UHFFFAOYSA-N 351.345 1.850 0 40 FDAB Cc1c(CC(=O)NN2CCOCC2)c(=O)oc2cc(O)c(Cl)cc12 9134850 RETWLLVWVBRTQV-UHFFFAOYSA-N 352.774 1.366 0 40 FDAB CC(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 9833955 MHFAZCJMJWQLTA-UHFFFAOYSA-N 367.471 1.036 0 40 FDAB COc1cc(-c2nnc(CSc3nnnn3C)o2)cc(OC)c1OC 9819525 UFWGJJDIUDAWPJ-UHFFFAOYSA-N 364.387 1.578 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 72293177 KYTRUHXZHSGWQS-HNNXBMFYSA-N 368.566 1.706 0 40 FDAB CCOC(=O)N1CCC[C@@H](C(=O)NC2(C(=O)OC)CCSCC2)C1 95444085 BPUAHFHDDVNGRH-GFCCVEGCSA-N 358.460 1.410 0 40 FDAB CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 95446336 HQXCMPBXVOADJP-UHFFFAOYSA-N 354.476 1.509 0 40 FDAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H](C)O)c2)cc1 98075707 WZXURPSCLVIOCA-AWEZNQCLSA-N 362.451 1.931 0 40 FDAB COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@@H]2C1 306144899 ZRWVKKRJUSRSBL-CABCVRRESA-N 370.457 1.124 0 40 FDAB Cc1ccc(CC(=O)N[C@@H]2CCc3ncc(C(=O)NC4CC4)n3C2)cc1 306133134 MCYKKSIUWFEPDS-MRXNPFEDSA-N 352.438 1.757 0 40 FDAB COc1ccc([C@@H]2CCCN2C(=O)CCN2C(=O)CCC2=O)cc1OC 32904676 VXUBUPCKGBOSBC-AWEZNQCLSA-N 360.410 1.906 0 40 FDAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 210852516 SHMLWUPSNAHINR-GXDHUFHOSA-N 362.407 1.590 0 40 FDAB O=C(OCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 36627563 IZPDLMWVMAOODC-UHFFFAOYSA-N 374.462 1.850 0 40 FDAB Cc1cc(CNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)ccc1Cl 564357476 SRZSZFRKFBUMKP-UHFFFAOYSA-N 358.785 1.926 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cc2nsc3ccccc23)C1 564321959 VPDZGXCTXLEYOC-GFCCVEGCSA-N 367.496 1.721 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225406036 KFKIADGOPSNGCG-CQSZACIVSA-N 358.446 1.495 0 40 FDAB COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222674468 FBTNOAQCTCXUIL-UHFFFAOYSA-N 359.382 1.137 0 40 FDAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(N)=O)co1)CC2 49543127 HJEOOXLLVHOMCS-UHFFFAOYSA-N 374.393 1.079 0 40 FDAB biogenic Cc1ccc(C(=O)N2CCn3c(CN4CCN(C)CC4)cnc3[C@@H]2C)o1 96062030 FTRAZXGBGOEBDG-HNNXBMFYSA-N 357.458 1.749 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96219908 JOMBLUPIKVPMBE-XLIONFOSSA-N 354.454 1.926 0 40 FDAB CCS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1cccnc1)CC2 96208412 UNACHKWDYGQFHP-MRXNPFEDSA-N 353.488 1.392 0 40 FDAB Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C(=O)c4ccnn4C)C3)C2)n1 96206273 DKPIKWKWUSEWQB-APWZRJJASA-N 356.426 1.714 0 40 FDAB CN1CCN(c2ncnc3c2c(C(=O)N2CCCC2)c2ccccn23)CC1 96087909 SOBKADWRKAQROT-UHFFFAOYSA-N 364.453 1.870 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1 96224617 NAPYNYPTENMWQT-GOSISDBHSA-N 354.414 1.178 0 40 FDAB Cc1c(CCC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cnn1C 257323353 WJULXUPNQUMSSA-QGZVFWFLSA-N 357.458 1.722 0 40 FDAB Cc1nn(C)c(C)c1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257261456 LHJVKFIPFUNFKA-CQSZACIVSA-N 363.487 1.708 0 40 FDAB O=C(c1ccnc(N2CCCC2)c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257225068 FERPBNQPZJHABN-QZTJIDSGSA-N 353.422 1.946 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257315255 VANYWZMTLSPGNM-KRWDZBQOSA-N 356.430 1.371 0 40 FDAB O=S(=O)(c1ccc(-c2nn[nH]n2)s1)N1CCOC[C@H](C2CCC2)C1 1609597903 UMXHHCPADBCHQN-LLVKDONJSA-N 369.472 1.365 0 40 FDAB CNC(=O)c1ccc(=NC(=O)N2CCC[C@]2(C)Cc2ccccc2)[nH]n1 640338840 RVKRSDASEDNEPZ-LJQANCHMSA-N 353.426 1.887 0 40 FDAB CC(=O)N1CC(OCC(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)C1 653818730 UUGFORKDTKUBIL-UHFFFAOYSA-N 371.368 1.638 0 40 FDAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(C)on2)c(=O)c1=O 90610118 XGBYBZLNCGEXHU-UHFFFAOYSA-N 370.365 1.333 0 40 FDAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2C1 96103700 NPMZLUKQYYCIFW-UHFFFAOYSA-N 350.400 1.345 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1Cc1ccc(F)cc1 585280233 DJSFOJZSACXFIW-ROUUACIJSA-N 358.417 1.761 0 40 FDAB COc1cccc([C@@H]2CO[C@]3(C2)CN(C(=O)Cn2cccn2)C[C@H]3O)c1 585288321 VFFJBXBBVZFGNW-KVSKMBFKSA-N 357.410 1.038 0 40 FDAB Cc1nc(C)n(CC(=O)N[C@H]2CCCN(C)[C@H]2Cc2cccc(F)c2)n1 585280580 KVQMPVPTHGCTHZ-ROUUACIJSA-N 359.449 1.856 0 40 FDAB O=C(NCC1(OCCO)CCSCC1)C(=O)Nc1ccc(F)cc1F 828765510 ZWMPGEGIBMRCKK-UHFFFAOYSA-N 374.409 1.294 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2ccc(N3CCCC3=O)cc2)n1 12723362 QMMBZDKGFSGNRV-UHFFFAOYSA-N 356.386 1.004 0 40 FDAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC4CCN(CC(N)=O)CC4)cc3c2C1 14482372 AHTUYBDUJHHNMN-ZDUSSCGKSA-N 368.481 1.972 0 40 FDAB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCOCC1 16322235 AICZGWCWJGGRSO-AWEZNQCLSA-N 368.455 1.097 0 40 FDAB C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc2c(c1)OCCO2 18109860 URGJECWJEWVEEU-GFCCVEGCSA-N 356.378 1.813 0 40 FDAB Cc1cc(N2CCN(CCN3CCCC3=O)CC2)cc([C@H]2CCCN2)n1 19697977 NMNUNVZFBIOOKI-GOSISDBHSA-N 357.502 1.559 0 40 FDAB NC[C@H]1CCCCN1C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1 521394603 SYGMKLIPGBNVOP-SNVBAGLBSA-N 357.336 1.892 0 40 FDAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2CCC(C)CC2)n1 5254633 JLXJHCVIIHUPJO-UHFFFAOYSA-N 357.458 1.921 0 40 FDAB O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)NC[C@@H]1CCCO1 8666503 NXYVERNTXFUFPP-LBPRGKRZSA-N 367.471 1.911 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CC(F)(F)C5)C[C@H]4C3)nn12 1888849412 NCIYJWQYMPEWHX-BETUJISGSA-N 362.384 1.373 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCC[C@@H]1C 32935877 OSJADYNMMZSQLB-BBRMVZONSA-N 352.456 1.706 0 40 FDAB COc1ccc(OC)c([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)c1 36678922 KTCYJXGABFVZPV-SJCJKPOMSA-N 373.409 1.333 0 40 FDAB Cc1noc(C)c1CC(=O)NCC1(N2CCOCC2)CCSCC1 1776009062 SSWZZNUKTKHDBH-UHFFFAOYSA-N 353.488 1.548 0 40 FDAB Cc1cc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccccc4)C3)C2)n[nH]1 2056225841 CVCIBVIQAAUTPA-AZUAARDMSA-N 370.453 1.394 0 40 FDAB O=C(N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1)C1(F)CCC1 1614930238 MPKRJAWXNYSNQC-SFHVURJKSA-N 351.466 1.816 0 40 FDAB O=C(NC1CCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565548182 ZALZXNWOVVTCLM-ZACQAIPSSA-N 361.417 1.580 0 40 FDAB CS(=O)(=O)N1CCCCC12CCN(C(=O)CCc1cncnc1)CC2 1565549543 ZIXOACMPCRQYID-UHFFFAOYSA-N 366.487 1.216 0 40 FDAB CCCOc1ccnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2C 9571972 DWWJLDFGNNYNCB-UHFFFAOYSA-N 374.441 1.287 0 40 FDAB Cn1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)n1 2055745960 VMZKDFHSDMKRDN-GFCCVEGCSA-N 357.414 1.368 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cnccn1 2055745865 JGTANTCAIVDVOV-GFCCVEGCSA-N 355.398 1.424 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NC1CCN(c2cnsn2)CC1 585148987 UOVBOHFDMQHSLI-UHFFFAOYSA-N 370.438 1.033 0 40 FDAB CC(=O)Oc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cc1 575609392 KZECQEHYBMWAEC-UHFFFAOYSA-N 351.366 1.695 0 40 FDAB C[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)N(C)c1ccccc1 40108039 GBVZQVYQMAWIAD-GOEBONIOSA-N 353.488 1.442 0 40 FDAB CCCc1nnc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)s1 40145338 RVYRAGAOGCRNHX-UHFFFAOYSA-N 371.422 1.701 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc2ccccc2oc1=O 11126786 VRKVUVDSOYXOSE-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CSC(C)(C)N1C=O 1761425 GZCNYXSDXQZKMU-UONOGXRCSA-N 350.440 1.197 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)OCc4ccccc4)[C@@H]3C2=O)cc1 100916148 YASHCXBRCRLSEF-CVEARBPZSA-N 363.373 1.556 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269781 YDLUCODCJLECIE-UHIISALHSA-N 364.295 1.952 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@@H]3C[C@@H](O)[C@H](CO)O3)c2n1 4803634 PVDRONULGPDJKM-AGIUHOORSA-N 373.438 1.342 0 40 FDAB CCC(=O)O[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CSC(=O)CC 4887672 YQJXGTVKJFUUBN-TUAOUCFPSA-N 370.427 1.124 0 40 FDAB CCCN1C(=O)[C@@]2(Cc3c(F)cccc3N3CCC[C@@H]32)C(=O)NC1=S 6910358 WMWIRVSEZOAZMS-RDTXWAMCSA-N 361.442 1.990 0 40 FDAB Cc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)nn1-c1ccc(F)cc1 53273948 GUJFRTADIWZYHY-OAHLLOKOSA-N 352.391 1.022 0 40 FDAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1cnn(C)c1 32539753 YDVNEDQEUMVBIN-UHFFFAOYSA-N 361.471 1.530 0 40 FDAB CCCCn1/c(=N\C(=S)N(C)C)ss/c1=N/C(=S)N(C)C 104277126 VCNTXUVTNPELIL-PHEQNACWSA-N 363.603 1.906 0 40 FDAB CCOC(=O)Cc1nnc(S[C@H](C)C(=O)N(C)C)n1Cc1ccco1 29987673 RPUCZOVHQHWQRL-LLVKDONJSA-N 366.443 1.594 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)s1 32779192 CHJDNIJVFIXJEN-UHFFFAOYSA-N 373.891 1.593 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32820949 DYUUWVLNBVPSBU-MRXNPFEDSA-N 355.394 1.889 0 40 FDAB Cc1csc(C2=C(O)CN(c3ccc(S(N)(=O)=O)cc3)C2=N)n1 102734694 JQZXVLYIHLDZQX-UHFFFAOYSA-N 350.425 1.865 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1n[nH]c(-c2ccccn2)n1 53525530 PFDARFDUADZICQ-UHFFFAOYSA-N 362.353 1.000 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccccc2)[nH]n1 12530712 IPEMTZFFXFMHCH-UHFFFAOYSA-N 353.382 1.976 0 40 FDAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1 12531224 UCXAZCAZSWQPHE-UHFFFAOYSA-N 374.466 1.797 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NCc1ccco1 8189633 OQTLVICUIRHQBL-MRXNPFEDSA-N 366.377 1.540 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cnc3ccccc3n2)c1 25239185 WVHYLGJKGBNSHK-UHFFFAOYSA-N 356.407 1.931 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)NC[C@@H]1CCCO1 409209688 HFEPJMKIMQRFAK-IAOKNECISA-N 362.407 1.724 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 10270535 LVGVCCGMIKZJQE-UHFFFAOYSA-N 366.468 1.014 0 40 FDAB CN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 3568285 ZTSSSNZQEWJPLA-UHFFFAOYSA-N 373.526 1.764 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 13693258 VFHOIDDETZEVLK-UHFFFAOYSA-N 353.357 1.720 0 40 FDAB Cc1c(C(N)=O)sc2ncn(CC(=O)N(C)C3CCCCC3)c(=O)c12 5010100 OLSGOGXGWBAMKN-UHFFFAOYSA-N 362.455 1.656 0 40 FDAB CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 8594214 RVKMFHMDGSRVCF-GFCCVEGCSA-N 373.409 1.356 0 40 FDAB O=C1C[C@@H](c2ccccc2)N(C(=O)CCNC(=O)C2CCCC2)CCN1 65533188 OKCKFYVSKSEMSD-KRWDZBQOSA-N 357.454 1.773 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F 20459601 PVCVSJNSGLPWQJ-UHFFFAOYSA-N 357.451 1.887 0 40 FDAB CC1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 6589324 QZNIOPJNKNLLLM-UHFFFAOYSA-N 358.225 1.983 0 40 FDAB Cc1nn(CC(=O)NC2CC2)c(C)c1S(=O)(=O)N1CCC(C)CC1 7025426 VEDQMLSVSHNFGH-UHFFFAOYSA-N 354.476 1.199 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NCCc2ccc3c(c2)OCCO3)s1 8735076 KDPRYKCOFWRBGJ-UHFFFAOYSA-N 360.435 1.916 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046931 DGWABIVWJQNIOC-BLLLJJGKSA-N 356.426 1.792 0 40 FDAB Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C 7813839 HHZCETFQQRELED-UHFFFAOYSA-N 370.397 1.255 0 40 FDAB COCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940491 XLNAKKWAOXOMDQ-VIFPVBQESA-N 369.270 1.911 0 40 FDAB O=C([C@H]1COc2ccccc2O1)N1CCN(C[C@H](O)c2ccco2)CC1 27197651 PMXGOKFZMAOZJR-KBXCAEBGSA-N 358.394 1.297 0 40 FDAB COc1ccc(OCCN2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 96931031 ANLRASMAZLBSNY-UHFFFAOYSA-N 374.441 1.627 0 40 FDAB C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)C1CCC(NC(N)=O)CC1 84691817 WCRSCAMTOIEDGU-PPWQZUPISA-N 353.463 1.794 0 40 FDAB CCOC(=O)[C@H]1CCCC[C@H]1N(CC(=O)NC(C)C)CC(=O)NC(C)C 95457041 XNAAZMDVISVDLL-JKSUJKDBSA-N 369.506 1.460 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 95461082 XWMCEGZNCYFLHY-UONOGXRCSA-N 354.476 1.840 0 40 FDAB CC1(C)C[C@H](NC(=O)Cn2ccc3c(cnc4ccnn43)c2=O)CCO1 79495302 RYRHFTIXARTVHG-GFCCVEGCSA-N 355.398 1.118 0 40 FDAB O=C(Nc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998787 RLAFFORNGJZNTL-HNNXBMFYSA-N 353.444 1.345 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 95942917 KQURRNXZDCWYPV-FRFSOERESA-N 350.415 1.124 0 40 FDAB COC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)Sc1nnc(N)s1 89396153 XHCJWVNBWPFLBI-SECBINFHSA-N 364.408 1.050 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1OC)n1cnc2c1c(=O)n(C)c(=O)n2C 9975064 DIFGNCOIHSBGNN-LBPRGKRZSA-N 371.397 1.032 0 40 FDAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cnn(C)c2)c1O 1547208803 RDMQJEWHCQGRTR-AWEZNQCLSA-N 363.414 1.327 0 40 FDAB Cc1ccsc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306137463 QXDNBBRDULSXFE-CABCVRRESA-N 372.494 1.804 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32819074 WMULGBXBABCQGO-HNNXBMFYSA-N 368.455 1.544 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nccs1 31816236 ZFURNZGJGHPYSP-JTQLQIEISA-N 362.386 1.390 0 40 FDAB COc1cccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)c1 224275449 KJBGJNLTACEXIV-UHFFFAOYSA-N 350.400 1.123 0 40 FDAB Cc1cc(C(=O)N2CCN(CCNC(=O)/C=C/c3ccccc3)CC2)no1 44453706 NBGWPQBWEMFAGO-BQYQJAHWSA-N 368.437 1.570 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccccc1F 224303888 BOKOBRSKAUCYJN-UHFFFAOYSA-N 366.418 1.870 0 40 FDAB Cc1cnc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nc1 96159089 XVDYOOCDNFVZDE-UHFFFAOYSA-N 353.426 1.578 0 40 FDAB NC1(CNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C2CC3CC(C2)CC1C3 577942783 UEYMVEMMZXQGBH-VSHCVGGASA-N 360.502 1.593 0 40 FDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)c3cccn3C)CC[C@@H]21 96251543 OBHUVOBHEAUSAE-DOTOQJQBSA-N 367.515 1.385 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96220038 NOSGIPWIUDSEQR-ICSRJNTNSA-N 353.422 1.996 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1CN(C2CCOCC2)Cc2ccnn21 247517903 WJYHKERXFVVRFG-SFHVURJKSA-N 355.442 1.173 0 40 FDAB O=C(c1ccccn1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 247793381 BDWPYZJUCLCPDH-AWEZNQCLSA-N 373.434 1.185 0 40 FDAB CC(C)(C)C(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 253404257 QWKIKFZBPXXUCU-NQIIRXRSSA-N 359.514 1.812 0 40 FDAB biogenic,in-vitro O=C(Cc1ccc2ccccc2c1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257343978 ZVEVVZXAXQCECN-SFHLNBCPSA-N 354.450 1.723 0 40 FDAB CC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 521807856 DLGLGIMLYXCZPL-UHFFFAOYSA-N 368.393 1.130 0 40 FDAB COc1ncnc(OC)c1C(=O)N1CCc2c(F)ccc(C(=O)O)c2C1 630242075 XTJUMBXNJSEYNV-UHFFFAOYSA-N 361.329 1.530 0 40 FDAB COCCN1CCC[C@@H](NC(=O)C2CN(C(=O)C3CCCCC3)C2)C1 653225368 YBFSZBXCJAIZDK-QGZVFWFLSA-N 351.491 1.252 0 40 FDAB Cn1cnc2c(NCC3(O)CCN(Cc4ccccc4)CC3)ncnc21 665750915 YPKMYDLYXKDGSC-UHFFFAOYSA-N 352.442 1.802 0 40 FDAB O=C(NCCN1CCOCC1)c1cnc2ncc(Br)cc2c1 681945373 BDUXOOAEPCYEEG-UHFFFAOYSA-N 365.231 1.454 0 40 FDAB CC[C@H](O)CC(=O)N1CCN(C(=O)C[C@H](O)CC)C2(CCCCC2)C1 649029892 JFVXNBPUXKIPTR-JKSUJKDBSA-N 354.491 1.682 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121543 QUNWYEGWTSANHP-UHFFFAOYSA-N 372.347 1.046 0 40 FDAB Cc1n[nH]c(C)c1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575605046 KWMHNIPALHFYGN-UHFFFAOYSA-N 354.336 1.798 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)C(C)C)CC3)cn1 585096417 MYRVAHXTLOQSDT-ZDUSSCGKSA-N 356.430 1.471 0 40 FDAB CN(Cc1ccco1)C(=O)[C@]12CCOC[C@@H]1CN(Cc1ccnn1C)C2 685940422 KOTKOZSECWYXCQ-KXBFYZLASA-N 358.442 1.510 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 57997832 XXBQMDMCIFMBSW-OAHLLOKOSA-N 355.394 1.354 0 40 FDAB Cc1nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(C(F)(F)F)n1 514540433 IBCAZRGMFOIJND-GFCCVEGCSA-N 358.364 1.879 0 40 FDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)NCc1cc(C3CC3)ncn1)CS2 585361113 NKLOBWIDNPKCBW-CQSZACIVSA-N 371.466 1.881 0 40 FDAB Cc1ncnc(N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)c1C 585614521 HMEMRICBWAHMJX-GJZGRUSLSA-N 350.430 1.412 0 40 FDAB Cn1cnc([C@@H]2CNC[C@H]2C(=O)NCc2nc(C(F)(F)F)cs2)c1 1614995527 CFDCYZDXQKLCFI-RKDXNWHRSA-N 359.377 1.515 0 40 FDAB Cn1cncc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158676 RVCTVTPDXZNVNM-LJQANCHMSA-N 372.400 1.597 0 40 FDAB C[C@H]1CN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@H](C)O1 5346697 ZLNABWVXZALNAF-HUBLWGQQSA-N 357.410 1.262 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cc(C)no3)CC1)CNC2=O 12226124 ARHCGYCPKQMVNM-UHFFFAOYSA-N 371.393 1.789 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc21)NCc1ccc2c(c1)OCO2 12659022 OJMUVXLPRHDAJJ-UHFFFAOYSA-N 367.361 1.625 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc(C)cn1 15321218 ARLBYVWFICHJSL-UHFFFAOYSA-N 353.382 1.310 0 40 FDAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cccnc1 19696490 ULKLPLACOUUACW-UHFFFAOYSA-N 361.405 1.871 0 40 FDAB C[C@@H](CN(C)C(=O)c1cccn(CC(=O)N(C)C)c1=O)c1ccccc1 19751429 WVIZTFNHBIZEMG-HNNXBMFYSA-N 355.438 1.812 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCN(c2nccs2)C1 206810034 XLXITEWHYNRXSR-ZDUSSCGKSA-N 365.480 1.702 0 40 FDAB Cc1c(Br)cncc1C(=O)NC1(CC(=O)O)CCOCC1 663123024 HWIPTQWTXJPXRW-UHFFFAOYSA-N 357.204 1.906 0 40 FDAB O=S(=O)(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 575608512 SZBXLYKBBDQWJL-MRXNPFEDSA-N 366.483 1.401 0 40 FDAB Cn1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1=O 1888890077 MSTPSNZRQQLMPU-IAGOWNOFSA-N 373.478 1.138 0 40 FDAB CCc1cnc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)nc1 1888890577 VTWOTFHKROIZHF-UHFFFAOYSA-N 350.430 1.650 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)ccc1F 1888903895 REGVSVZRLSQBPG-BETUJISGSA-N 367.388 1.175 0 40 FDAB Cc1nc(N2CCN(c3nccn4nccc34)CC2)cc(-n2cccn2)n1 1889205699 NDMSMLJHKXUFHV-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(Cc4ncnn4C)CC3)cnc2c1 1848747353 LJEFXSDXPHKDNG-UHFFFAOYSA-N 368.441 1.446 0 40 FDAB Cc1ccc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc1C 1889084072 VCUNVAHYSMPVBM-UHFFFAOYSA-N 370.453 1.100 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985287 DTFZSIODMAAVJV-UHFFFAOYSA-N 353.470 1.929 0 40 FDAB CCOCC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840412 MAIXPHMJHMQHCC-SFHVURJKSA-N 350.390 1.587 0 40 FDAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)NCc3cccs3)ccc21 252480216 BYHRNQIVUXUPMJ-MRXNPFEDSA-N 357.435 1.706 0 40 FDAB CCc1ccc(C(=O)NC[C@@H]2CCc3ncc(C(=O)NCCOC)n32)cn1 1614928557 GKJDIFJFQAVSNK-HNNXBMFYSA-N 371.441 1.134 0 40 FDAB Cc1ccccc1OCC(=O)N(C)C1CN(c2ccc3nncn3n2)C1 1565520799 QXBNWGHGNOHIKH-UHFFFAOYSA-N 352.398 1.159 0 40 FDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccc(F)cn4)C[C@@H]32)o1 1565546885 GFECTQUQBIHBOK-BZUAXINKSA-N 360.389 1.876 0 40 FDAB COc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1 1431929 ATUIMFJAXFHHKR-UHFFFAOYSA-N 364.427 1.079 0 40 FDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccncc3)cc21 5252432 WDUZFQWPUGSZEP-UHFFFAOYSA-N 352.394 1.636 0 40 FDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccco1 12440190 GEZCMEVIJVGCJQ-UHFFFAOYSA-N 363.377 1.882 0 40 FDAB Cn1nccc1C(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974681 LDERBIPSCVRRJL-UHFFFAOYSA-N 369.812 1.994 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccc(F)c(F)c2)nn1 1889133940 GSGDTKZJFOMGQD-AWEZNQCLSA-N 363.324 1.737 0 40 FDAB Cc1cc(C)cc(-c2nc(SCCO)c3c(=O)n(C)c(=O)n(C)c3n2)c1 4341367 GLMVQBUUDNXWNG-UHFFFAOYSA-N 372.450 1.395 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccno3)C2)n(C(C)C)n1 2332241464 SZUUGBWBKLGXNN-YNEHKIRRSA-N 363.418 1.420 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 30351519 VKXWPHIYTACVDM-UHFFFAOYSA-N 353.419 1.937 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(NC(=N)N)=NC1=O 20102065 TXYUCDZJZOOPCM-VIFPVBQESA-N 355.807 1.158 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc3ccccn23)CC1=O 30712975 PHIQMKIOVBNBKK-GFCCVEGCSA-N 351.366 1.730 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 30847269 GLABPKZOIUBIST-NWDGAFQWSA-N 371.459 1.747 0 40 FDAB CC(C)(C)OC(=O)N1CCN(c2ccc3nc(O)cc(=O)n3c2)CC12CC2 1857794704 LOMKIDUODAAOHI-UHFFFAOYSA-N 372.425 1.990 0 40 FDAB CC(C)C(=O)NC1CCN(C(=O)[C@H](C)n2c(=O)oc3ccccc32)CC1 58950079 FOCZTQPDLCSXNT-ZDUSSCGKSA-N 359.426 1.919 0 40 FDAB O=c1c(NCc2ccncc2)c(NC[C@@H]2CCCN3CCCC[C@H]23)c1=O 100795089 LPLQMQYVGORXEX-JKSUJKDBSA-N 354.454 1.966 0 40 FDAB biogenic Cn1ncc2c(=O)n(CC(=O)OCc3cc(-c4cccs4)on3)cnc21 11483237 OQHFCXNZRDSONL-UHFFFAOYSA-N 371.378 1.590 0 40 FDAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCOC 2938996 PXMSMMXIYJQLRG-HOCLYGCPSA-N 356.488 1.841 0 40 FDAB Cc1ccc(S(=O)(=O)N(C[C@@H]2OC[C@H]3OC(C)(C)O[C@H]23)N=O)cc1 4973239 GEJLNAVCDDORPR-BFHYXJOUSA-N 356.400 1.586 0 40 FDAB CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 4995841 HMXVOQPLVDXFQQ-UHFFFAOYSA-N 364.423 1.645 0 40 FDAB O=C(NCCCN1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 7071405 GOGKRIRIPZWUFZ-UHFFFAOYSA-N 365.499 1.687 0 40 FDAB COc1cc2ncn(CC(=O)Nc3cccc(O)c3)c(=O)c2cc1OC 20763442 OVSZCXPEZCFROX-UHFFFAOYSA-N 355.350 1.758 0 40 FDAB biogenic CCNC(=O)CN1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20745611 LUKVELDMZLPVDP-GOSISDBHSA-N 358.442 1.356 0 40 FDAB O=C(NC[C@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 102613187 YUERGOBAXHUBMQ-BSPHMWTBSA-N 366.417 1.907 0 40 FDAB CSc1ncc(Cl)c(C(=O)NCCNC(=O)c2cccnc2)n1 32364780 YLNJAENSTSTCFD-UHFFFAOYSA-N 351.819 1.407 0 40 FDAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 22410941 OLMFAOMBYPRNQD-LLVKDONJSA-N 370.452 1.382 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2cccc(S(C)(=O)=O)c2)s1 42318754 PKUKZUUPLODUES-UHFFFAOYSA-N 359.450 1.579 0 40 FDAB CO[C@@]12C=C[C@]3(C[C@@H]1CO)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 100393813 KSIZHHFJCGTAKZ-QWWOSCSFSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro COC(=O)C1(NC(=O)Cn2cc(Br)ccc2=O)CCCCC1 47569004 RCKKOIJLMATOJZ-UHFFFAOYSA-N 371.231 1.603 0 40 FDAB C[C@@H]1CN(Cc2ccc(CNC(=O)CN3CCCC3=O)cc2)C[C@@H](C)O1 47539065 JUCDXAFPKCTDPJ-HZPDHXFCSA-N 359.470 1.534 0 40 FDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(Cc2ccccc2F)CC1 23248992 BRAMQCQKXKAEEV-AWEZNQCLSA-N 364.465 1.956 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 24590589 WCCIMHKVHXEJHU-AWEZNQCLSA-N 373.453 1.883 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 20768549 ADLYSRVRFSCOKP-UHFFFAOYSA-N 354.453 1.415 0 40 FDAB Nc1nc(CN2CCN(C(=O)c3ccccc3O)CC2)nc2ccccc12 25139415 CFTXSZCFBNWEIA-UHFFFAOYSA-N 363.421 1.876 0 40 FDAB CC(C)c1ccc(OCCNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 56073813 ROAOZYLVKBWRSD-UHFFFAOYSA-N 365.455 1.605 0 40 FDAB O=C(CN1CCN(CC(=O)Nc2ccccc2)CC1)Nc1ccccc1 23248865 CCFRYXDSBWQHKJ-UHFFFAOYSA-N 352.438 1.881 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 26525959 VBHMNMUOZWAZPC-UHFFFAOYSA-N 360.435 1.758 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2C)c1 58281668 CKJBRYREWNAGCF-UHFFFAOYSA-N 368.480 1.724 0 40 FDAB O=C(NC1=NCCS1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12782149 BUZIETODZAFGLS-NSHDSACASA-N 371.459 1.445 0 40 FDAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnnn1)c1ccccc1 12737528 GOPOUPUGXVBIRV-CYBMUJFWSA-N 350.382 1.803 0 40 FDAB CCCC[C@H]1C[C@@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O 2345987 GZQIUADRVOTUNV-ZBEGNZNMSA-N 354.428 1.785 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)CNCCc1ccc(S(N)(=O)=O)cc1 8403893 BCMWMHSWNMTFAU-CQSZACIVSA-N 373.478 1.444 0 40 FDAB COc1ccc(NC(=O)CS[C@H]2NC(=O)CC(=O)N2CC(C)C)cc1 12922611 NAAKDFPMOLBCNG-KRWDZBQOSA-N 365.455 1.655 0 40 FDAB Cc1ccccc1CN(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12994856 BJWDWXUDOBNXGP-SFHVURJKSA-N 353.422 1.706 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CN1C(=O)NC2(CCCCC2)C1=O 12936540 ZMUHIMOHOLMNHT-OAHLLOKOSA-N 356.426 1.111 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccc2c(c1)OCCO2 14138016 VWEMJQWGJZXGDM-UHFFFAOYSA-N 366.373 1.413 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCO2)cc1 4502902 VAODJJVVFFWCDA-CQSZACIVSA-N 356.444 1.001 0 40 FDAB CS(=O)(=O)NC[C@H]1CO[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@H]12 306136104 PJJVXKNYYWTDOK-WOSRLPQWSA-N 364.423 1.069 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccnc1 72027866 LEVVECNKXHCOHJ-SFHVURJKSA-N 352.438 1.592 0 40 FDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCNc1nc2ccccc2s1 95356857 HHLVHUQNZIJLDH-LLVKDONJSA-N 353.469 1.649 0 40 FDAB CC[C@@H](CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)Oc1cccc(F)c1 95992617 DAFSWLCHITYUFZ-JSGCOSHPSA-N 372.418 1.338 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1F 95940357 LSCCMKRVUCPFNJ-GWCFXTLKSA-N 368.405 1.864 0 40 FDAB COc1ccc(C(=O)[C@@H](NCCNC(C)=O)c2oc(C)cc(=O)c2O)cc1 1547139456 QGOUOHJXFHUEFM-MRXNPFEDSA-N 374.393 1.312 0 40 FDAB biogenic CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cnn(C)c3)CC2)C1 306123020 ACJYILNPIUDTNS-UHFFFAOYSA-N 367.457 1.708 0 40 FDAB COCc1nn(C)cc1C(=O)N1CCc2c(nnn2-c2ccccc2)C1 515207082 RCDOKNVTALDQPU-UHFFFAOYSA-N 352.398 1.346 0 40 FDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)NCCc2ccccc2)c1 217482321 FFMSZYBNEGFXSP-UHFFFAOYSA-N 364.423 1.310 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408625732 UBSGAIFLZZBIIJ-VHSXEESVSA-N 364.851 1.167 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)n1 72380562 FRNSGYAODHQJPI-ZDUSSCGKSA-N 370.457 1.835 0 40 FDAB C[C@H](C(=O)NC1CCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326393 RMTINRJJBGOFRN-CWTRNNRKSA-N 371.441 1.003 0 40 FDAB Cc1nc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cs1 40043067 GSGJMEZLRDYBJT-PIGZYNQJSA-N 364.471 1.611 0 40 FDAB O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)N1CCOCC1 48345390 HYZRRXMENVKELS-UHFFFAOYSA-N 355.841 1.456 0 40 FDAB C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)COc1ccccc1 222772596 TXHNBQYFRZOQQY-MRXNPFEDSA-N 356.422 1.591 0 40 FDAB Cc1noc(-c2ccn3c(CNC(=O)c4c(C)nn(C)c4C)nnc3c2)n1 225745591 WHWVSUSNXQZNOT-UHFFFAOYSA-N 366.385 1.368 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 225635153 JFUOZIQMCIFVJZ-SGESZLJQSA-N 368.433 1.498 0 40 FDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)C1CCN(CC(F)(F)F)CC1 192864233 WKHAUFCVRVIJGH-SNVBAGLBSA-N 354.398 1.361 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1nnn(-c2ccc(Br)cc2)n1 75163762 JQBYTBAONNEQPV-NSHDSACASA-N 352.192 1.334 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 225404557 XVKKVCGPOSLBPE-AWEZNQCLSA-N 370.409 1.494 0 40 FDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccc5c(c4)OCO5)CC[C@@H]23)[nH]1 96206751 DWDDGKQJHOWXMW-INMHGKMJSA-N 356.426 1.921 0 40 FDAB COc1ccc([C@H](OC)[C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 576700616 NWTZOTDTFUVKJT-BYCMXARLSA-N 372.443 1.155 0 40 FDAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CCCCN)C3)c2n1 257313423 USHPWPBZRPXPNS-FQEVSTJZSA-N 371.485 1.467 0 40 FDAB CC(=O)N1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C(F)(F)F 583620096 XUGAZEXUPDDOAE-WCQYABFASA-N 358.364 1.891 0 40 FDAB O[C@]1(CNCc2ccc(OCCF)cc2)CCCN(c2cnccn2)C1 257308401 TWPLSZXOMWGCNB-IBGZPJMESA-N 360.433 1.946 0 40 FDAB Nc1cc(CC[C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)ccn1 257272243 NBPIUIFCAGSJGL-HNNXBMFYSA-N 353.488 1.960 0 40 FDAB COC(=O)CCCCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O 590368314 XVRGCMOOXWATMS-VXGBXAGGSA-N 351.403 1.600 0 40 FDAB NC(=O)c1cc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)ncn1 641305138 DVVSLQRKCYTJAQ-UHFFFAOYSA-N 352.442 1.851 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cnnn2Cc2ccccc2)C1 643753479 HFNCIOFFWIFUTL-LJQANCHMSA-N 357.458 1.132 0 40 FDAB COC[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)c1cccc(OC)c1 656720244 QGVQPBBHYQNSLN-OAHLLOKOSA-N 372.443 1.014 0 40 FDAB Cc1cc(C(F)F)n2ncc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)c2n1 1263861284 VWUYOUYGGXSISK-LLVKDONJSA-N 361.356 1.729 0 40 FDAB C[C@@H](CCNC(=O)c1ccn(C(F)F)n1)NC(=O)CNC(=O)C(C)(C)C 1775990216 DWZKERYNKRFAOE-JTQLQIEISA-N 373.404 1.065 0 40 FDAB Cc1ncc2n1C[C@@H](C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 570934820 UMKJNRFBXOMQKD-BBRMVZONSA-N 360.845 1.620 0 40 FDAB CSCC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096054 PCRNOKVJKOFRNN-AWEZNQCLSA-N 364.496 1.550 0 40 FDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1=O 585107122 PRROERGYQHXPDT-XLIONFOSSA-N 352.438 1.437 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)cn1 585111737 ACVLGZGAZMNMDT-OAHLLOKOSA-N 354.414 1.587 0 40 FDAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)n1 585102682 FVHGXYWVEFJQCV-HNNXBMFYSA-N 365.499 1.453 0 40 FDAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 5578651 LGDZYSJMYABUIF-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12144579 IGHSUTRDEAYXBO-UHFFFAOYSA-N 360.364 1.847 0 40 FDAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O 12228943 OMULXLWVKQSWGJ-OAHLLOKOSA-N 370.434 1.809 0 40 FDAB CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1cnc(C)nc1N 17106324 ISIPQAHMLLFSFR-GDNBJRDFSA-N 366.443 1.790 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c(O)nc(C)nc32)cc1 19135460 LGYZEABTECMODB-CQSZACIVSA-N 352.398 1.849 0 40 FDAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)[C@H]2C1 19349834 FWFJIIWMMKHWLP-HIFRSBDPSA-N 352.431 1.847 0 40 FDAB COc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)ccn1 19550299 UGXRSMOSABTGKV-OAHLLOKOSA-N 369.425 1.352 0 40 FDAB COCCNC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 19593447 HYGGVRPOOKVUAH-QFBILLFUSA-N 363.433 1.841 0 40 FDAB CNc1ncccc1CN1CCC2(CC1)C[C@H](NC(C)=O)CN2C(C)=O 19696409 BIXCYRHNUQSFBT-KRWDZBQOSA-N 359.474 1.215 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC(C)C)C1)C2=O 19699905 BORBRMSTFBZEDD-HNNXBMFYSA-N 364.490 1.430 0 40 FDAB CN(C)C(=O)CN1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19759510 FWDHWSZRVUMDTA-SFHVURJKSA-N 370.453 1.398 0 40 FDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)nn1 225447640 ZNLLBBVFKINDKZ-LBPRGKRZSA-N 357.414 1.703 0 40 FDAB Cc1cccc(CC2(O)CCN(C(=O)N[C@H]3CC[S@](=O)C3)CC2)c1 525984237 MRTYAGHXCGJJDJ-FYSMJZIKSA-N 350.484 1.595 0 40 FDAB CCCN1C(=O)NC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1=O 17271804 OHQICHTXSCYFTC-UHFFFAOYSA-N 359.426 1.561 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)[C@H]5CC=CCC5)C[C@H]4C3)ncnc21 1888866270 ODDMYYCXJHKQQP-RRFJBIMHSA-N 352.442 1.614 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888866654 YZIVOYSTNFKYHP-CALCHBBNSA-N 358.467 1.683 0 40 FDAB O=S(=O)(N1CCCC1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888878967 WXEZTCLYBVHCOH-CYBMUJFWSA-N 352.460 1.395 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)[C@@H]2CCOC2)CC1 1848736882 ZZPFLFNDUQLQFO-MRXNPFEDSA-N 355.438 1.980 0 40 FDAB Cn1ccnc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984555 FOGFCKULZCSYGQ-LJQANCHMSA-N 354.410 1.316 0 40 FDAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3cnc(OC)cn3)C2)C1 2056224875 BRPJIDAOYQKREC-LJQANCHMSA-N 362.474 1.840 0 40 FDAB COc1ccc(C(=O)NCc2nnnn2-c2ccc(F)cc2)cc1OC 16959658 FEVUUNQNVASOKR-UHFFFAOYSA-N 357.345 1.749 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H](O)c2ccco2)CC1 27197174 BGCIDQPBFVTPAO-OAHLLOKOSA-N 354.403 1.459 0 40 FDAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3cncc(OC)n3)C2)cc1 225396190 ZXDHMPDFGDKPJC-OAHLLOKOSA-N 358.398 1.857 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 43979864 SXJKMXZWHPSVDG-UHFFFAOYSA-N 354.457 1.093 0 40 FDAB O=C(NC[C@@]1(O)C=CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 606440764 NWXZOSDAORFHPW-LJQANCHMSA-N 357.410 1.339 0 40 FDAB CC(C)Cc1nc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)n[nH]1 206230533 DDFSNVVZMNQDEV-SUNKGSAMSA-N 366.491 1.668 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CN1Cc1ccccn1 40087820 LLYPNZKSJCDZCK-INIZCTEOSA-N 368.437 1.368 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccccc1Cn1cccn1 30604524 OWCHYTBZLFDEQN-UHFFFAOYSA-N 373.416 1.958 0 40 FDAB CN(C)C1(CNC(=O)Cn2nc3n(c2=O)CCCCC3)CCCCCC1 30765566 ZPBOKXGHMIXTLX-UHFFFAOYSA-N 363.506 1.542 0 40 FDAB Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1 50783199 GFDQIXAYBUBQAY-UHFFFAOYSA-N 353.426 1.603 0 40 FDAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1-n1cnnn1 1325520 UQRHUCJKUSNBND-YPMHNXCESA-N 351.432 1.528 0 40 FDAB CC1CCN(c2nnc(SCC(=O)N3CCNC3=O)n2C2CC2)CC1 11424318 JFDXBDUUQVMMHP-UHFFFAOYSA-N 364.475 1.493 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1F)n1nnc(C(=O)OC)c1C(=O)OC 2686854 XMTUGJQPBATHNV-NSHDSACASA-N 364.333 1.580 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cnn1C 2732822 LQGDADRRLMQADH-OAHLLOKOSA-N 368.503 1.532 0 40 FDAB C[C@@H](O)CNC(=O)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 32072904 CQXCLJRSORAPLU-MRVPVSSYSA-N 372.303 1.380 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(C)c2)NC(=S)N[C@]1(O)C(F)(F)F 4269901 NYBXAAGEGZOEGZ-JTNHKYCSSA-N 362.373 1.944 0 40 FDAB CCC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 6944857 OUPMMVSPSRWFKF-GFCCVEGCSA-N 358.460 1.775 0 40 FDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NC1CCCCCC1 20716026 UMRIMEFZELPQKK-UHFFFAOYSA-N 370.453 1.853 0 40 FDAB CN1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1 101675891 WBKTXCSRGTUJCX-UHFFFAOYSA-N 368.481 1.111 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1cccn1 32491870 IFUMBULBPQSQFG-UHFFFAOYSA-N 351.204 1.709 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(SC)s2)C1=O 46586404 JHUKNGHKXVHFLN-NSHDSACASA-N 361.474 1.104 0 40 FDAB Cc1cc(NC(=O)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)no1 32926752 WWJYQGZHUIKXCF-UHFFFAOYSA-N 370.409 1.477 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccc(-n2cncn2)nc1 46714195 GWDCMBZVSFQKPE-UHFFFAOYSA-N 364.365 1.277 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1C1OCCO1 104093970 CAJHXQJCUYDAIJ-QLFBSQMISA-N 364.442 1.306 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100377061 XBJPWUIUZSUXFV-SKNMWMDOSA-N 363.753 1.234 0 40 FDAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 170583748 ZWRLDSYWEDNUMS-UHFFFAOYSA-N 355.442 1.899 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 24152619 SQOLSYBNZKSYSD-UHFFFAOYSA-N 374.466 1.898 0 40 FDAB CCn1nc(C)c2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc21 28304138 XFLGPQMBGPJAQN-UHFFFAOYSA-N 373.438 1.968 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(F)cc2)c1 28332882 SQCWLWQOGHSOOV-UHFFFAOYSA-N 353.371 1.970 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 58203027 VHRAMUXCTKNKFE-KBPBESRZSA-N 352.456 1.920 0 40 FDAB CCC(CO)(CO)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 12894655 UQGVYVLQHZIEKF-UHFFFAOYSA-N 373.405 1.948 0 40 FDAB biogenic O=C(CCCc1nc2ccccc2c(=O)[nH]1)NS(=O)(=O)c1ccccc1 59250544 QPFSYQAWNDZXGI-UHFFFAOYSA-N 371.418 1.751 0 40 FDAB C[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 8280795 IIDAYBSXNRVQFX-ZDUSSCGKSA-N 369.425 1.091 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 4314107 VCPGFWQTWGAPLQ-ZDUSSCGKSA-N 351.410 1.913 0 40 FDAB O=C(NCCCNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 6335206 VEONLDUDZAGZPR-UHFFFAOYSA-N 370.361 1.694 0 40 FDAB Cc1cccc(OCCNC(=O)Cn2c(NCCO)nc3ccccc32)c1 17478503 HYFVOANCMMNBQZ-UHFFFAOYSA-N 368.437 1.944 0 40 FDAB Cc1ccc2c(COC(=O)CC[C@@H]3NC(=O)NC3=O)cc(=O)oc2c1C 19001602 HUZUODJLPBTAHR-ZDUSSCGKSA-N 358.350 1.441 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H](c1ccccc1)n1cnnn1 80337452 PWWRRUCETWCDSM-QGZVFWFLSA-N 360.381 1.541 0 40 FDAB CCCCn1nnnc1COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 19297648 AEMZMHVJGAFCFS-AWEZNQCLSA-N 357.414 1.878 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005279 BLDBUEQHTOBOEI-AWEZNQCLSA-N 367.471 1.557 0 40 FDAB Cc1nc2sc3c(=O)n(CC(N)=O)cnc3c2c2c1COC(C)(C)C2 9422187 NPXMAHGPLLJYCE-UHFFFAOYSA-N 358.423 1.651 0 40 FDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccco3)cn2)C[C@H](C)O1 72304735 OXNHFEJPSLXYSV-STQMWFEESA-N 361.402 1.434 0 40 FDAB CC(=O)N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1 79107872 TTYMPEGZHZYLSX-CQSZACIVSA-N 367.471 1.114 0 40 FDAB COc1cccc(-c2ccc(=O)n(CC(=O)NCCc3ccccn3)n2)c1 79491299 QMDHIYVTMSWTKW-UHFFFAOYSA-N 364.405 1.673 0 40 FDAB COCCNc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccccc1)C2 1548338387 XAOGMNOPILXCNC-NSHDSACASA-N 371.397 1.380 0 40 FDAB CCS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 408705620 KCFGKUJMAMTYDT-UHFFFAOYSA-N 368.455 1.673 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccco4)nn23)C1 1501040515 VIJWPXMHOGPYFS-VIFPVBQESA-N 353.429 1.585 0 40 FDAB O=C(N=c1cc[nH]cc1Br)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529042405 RMBRVNNUSGOBNQ-ZJUUUORDSA-N 374.260 1.449 0 40 FDAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccnn1C 36615465 USRSANVHVANVQV-INIZCTEOSA-N 365.397 1.948 0 40 FDAB CCOCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217667658 XTAYJODTTDQYPN-GFCCVEGCSA-N 374.459 1.537 0 40 FDAB CC(=O)N1CCN(c2c(C)c(C)nc3cc(-c4nccn4C)nn23)CC1 72338506 GSZPITLLHLVORT-UHFFFAOYSA-N 353.430 1.415 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 42985692 RRQBALAGIICJKE-CQSZACIVSA-N 372.874 1.660 0 40 FDAB COc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224358353 QQEZDVMIRXDGNA-UHFFFAOYSA-N 357.414 1.640 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCO)o2)cc1 223408588 QOSRUOZNYXTOFX-UHFFFAOYSA-N 352.412 1.131 0 40 FDAB Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCCC2=O)nn1 85467583 OQKTXAQDGLWZKG-OAHLLOKOSA-N 359.405 1.308 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCc1cc(C)nc(N(C)C)n1 195468832 AAVWFHVASFKKFG-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB CCn1cc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)nc1C 332421188 QOOCLEDVBDDGCW-UHFFFAOYSA-N 364.471 1.731 0 40 FDAB CN(C)C[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 248104101 IHDWJFXDGVCUSV-MRXNPFEDSA-N 362.499 1.480 0 40 FDAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3COC3)CCN21 253400917 MELVZBAOJOEKTI-KRWDZBQOSA-N 358.486 1.375 0 40 FDAB biogenic,in-vitro CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 585091966 VLLUHUKBODQFSY-LSDHHAIUSA-N 366.462 1.401 0 40 FDAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc3ccccc3n2)CC[C@@H]1O 257267336 MGVUFICHYIDOHU-WMZOPIPTSA-N 355.438 1.973 0 40 FDAB O=C(NC[C@@]1(O)CCN(c2ccc(F)cn2)C1)c1cnc(C2CC2)nc1 257249623 JJCHUKAXSHYSRY-SFHVURJKSA-N 357.389 1.259 0 40 FDAB CCn1ccc(NC(=O)C[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257312791 UPMPPTCJRNDSIV-CQSZACIVSA-N 371.441 1.483 0 40 FDAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)c1cccc(OC(F)(F)F)c1 643858511 FNAGVMZSHYBCSO-SNVBAGLBSA-N 356.260 1.286 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1ccnn1Cc1ccccc1)N(C)C2 644270636 QWTAPQRKGPSBOP-HNNXBMFYSA-N 351.414 1.284 0 40 FDAB COCCn1ccnc1[C@@H]1N(C(=O)c2c(OC)ccnc2O)CC1(C)C 1775961578 LAAHNSLBSDUJQW-AWEZNQCLSA-N 360.414 1.862 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 1621044558 PDHYSAJSFCHQCE-UHFFFAOYSA-N 353.382 1.034 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1 96225039 IMUNXEXQBLRZNA-SFHVURJKSA-N 357.414 1.847 0 40 FDAB C[C@@H]1Cc2nnc(COc3ccccn3)n2CCN1CC1=CCCOC1 585097004 DKAVCCWAOYEBEH-OAHLLOKOSA-N 355.442 1.845 0 40 FDAB COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H](C)C2 585097370 JPUMCUOTBSEDLB-GFCCVEGCSA-N 358.398 1.169 0 40 FDAB CC(C)c1cc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)ncn1 685940720 GFOLXZVFMAXFJZ-GZBFAFLISA-N 358.446 1.688 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@@H]2[C@H](CO)O[C@H](c3ccccc3)O[C@@H]12 5339436 WZACICAIHONNQP-OROIIQQLSA-N 358.390 1.937 0 40 FDAB in-vitro O=C1CCC(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)=NN1 12669182 VOZJFMCQUCTHMA-UHFFFAOYSA-N 354.370 1.104 0 40 FDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2N1 14607168 ZXBYMIVDMQOMFP-NSHDSACASA-N 367.331 1.960 0 40 FDAB Cc1nn(C)cc1[C@@H](C)NC(=O)CN1C(=O)COc2c(Cl)cccc21 19655348 JJAMRYIHNHQTEK-SNVBAGLBSA-N 362.817 1.985 0 40 FDAB Cc1cccn2cc(C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)nc12 19746064 OYXHBSARDUMTIE-CQSZACIVSA-N 364.471 1.577 0 40 FDAB CNc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CN(C)CC2 19753246 FUFSROXJWUGJDK-HNNXBMFYSA-N 366.469 1.921 0 40 FDAB CCN1CCN(C(=O)c2nnc3c(-c4ccccc4)cnn3c2C)CC1 19817076 UMZYFXHPMSMHMZ-UHFFFAOYSA-N 350.426 1.877 0 40 FDAB COC1(CNC(=O)c2ccc(F)c(F)c2)CCN(S(C)(=O)=O)CC1 1888942790 PAFMZCFXBDIIBS-UHFFFAOYSA-N 362.398 1.135 0 40 FDAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCN1C(=O)CCC1=O 25124521 FRUWENUPHRSAJY-UHFFFAOYSA-N 352.774 1.669 0 40 FDAB Cc1cc(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)on1 245026686 NGMZABBQXHJTIS-UHFFFAOYSA-N 351.428 1.596 0 40 FDAB COc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)c(O)c1 2037873276 HVEUQCHAUQDLFR-KBAYOESNSA-N 358.394 1.839 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)c1 1557177867 CQXZUGUYWKCNLQ-KRWDZBQOSA-N 373.453 1.814 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565547374 ORJABQKNALVKAF-QFBILLFUSA-N 358.442 1.478 0 40 FDAB Cc1csc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)c1 1565555410 HGKJUCCTVOHDQA-UHFFFAOYSA-N 358.467 1.865 0 40 FDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)CCc1cncnc1)CC2 1565545675 KHCFJKNSWSYNTM-LJQANCHMSA-N 360.458 1.429 0 40 FDAB Cc1cccc(Cn2c(SC[C@@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)c1 839485 LLZLKHRQUWGUCX-LLVKDONJSA-N 360.439 1.253 0 40 FDAB COc1ccccc1CN[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055734889 WACMEOKTMBLJLE-HZPDHXFCSA-N 357.454 1.897 0 40 FDAB Cn1nc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)ccc1=O 38582173 QEJZZPXHEWSQJR-UHFFFAOYSA-N 354.322 1.094 0 40 FDAB Cc1nnsc1C(=O)N1CCN(CCNC(=O)c2cccs2)CC1 42383035 ZFGFODIFAOVOQW-UHFFFAOYSA-N 365.484 1.096 0 40 FDAB CC(C)Cn1nc(N2CCN(c3ncnc4c3CCC4)CC2)ccc1=O 2298029946 CUEQGIVSJGDWBG-UHFFFAOYSA-N 354.458 1.505 0 40 FDAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 42796341 IHDRMUCUOMMFMK-UHFFFAOYSA-N 364.379 1.602 0 40 FDAB CCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 40151813 QOKAUYUECRPXDD-GFCCVEGCSA-N 362.455 1.734 0 40 FDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C 11336080 NCXQYPQTMJHTSQ-UHFFFAOYSA-N 366.418 1.014 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3556438 CFRPTAZAMTVVKI-UHFFFAOYSA-N 370.361 1.913 0 40 FDAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 102069308 CZCFRGRXCHNTJK-LBTBCDHLSA-N 355.390 1.834 0 40 FDAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 32745178 GWLKZPGNMJTURC-OAHLLOKOSA-N 357.435 1.870 0 40 FDAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 8339028 XQJGAZZPYFQIJD-UHFFFAOYSA-N 371.850 1.773 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1C 8709635 FCINYWLKNRCXQM-QGZVFWFLSA-N 368.437 1.638 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccncc2)c1 57279512 MFLJJOJWLCEIDR-UHFFFAOYSA-N 374.426 1.242 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 46429233 NJNMWJSKMGUKBA-GFCCVEGCSA-N 366.364 1.729 0 40 FDAB Cn1c(=O)c2nc(SCCC(=O)Nc3ccccc3)n(C)c2n(C)c1=O 33274141 KQCOHRRAUZSWLK-UHFFFAOYSA-N 373.438 1.092 0 40 FDAB NC(=O)C1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 9647047 OVMVAXWADKEEDW-UHFFFAOYSA-N 368.437 1.460 0 40 FDAB C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2nc(N)nc(N)n2)CC1 22787858 DBWPLFDMICVZAG-NSHDSACASA-N 370.486 1.525 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 53959359 IKAJJAZEXPJSSA-LLVKDONJSA-N 369.368 1.888 0 40 FDAB Cc1csc(=O)n1CCC(=O)N1CCN(Cc2cscn2)CC1 55435586 WPLXTCXBAFKLKG-UHFFFAOYSA-N 352.485 1.409 0 40 FDAB CN(C)C(=O)/N=c1\ss/c(=N\C(=S)N(C)C)n1-c1ccccc1 102941159 ICECZHHAXIVRJW-VMNXYWKNSA-N 367.525 1.930 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)O[C@H](C)C1 34872093 KOYSBYBFTVXWFF-XJKCOSOUSA-N 372.462 1.764 0 40 FDAB CCCc1nnc(S)n1CC(=O)N1CCN(c2ccccc2O)CC1 26527891 RAMJADGCRGODQR-UHFFFAOYSA-N 361.471 1.574 0 40 FDAB Cn1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nc2cc(Cl)ccc21 58183870 HTWHEXUVQJUQQS-SNVBAGLBSA-N 370.862 1.837 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC(=O)CC3)c2)C1 3333377 QDYXTBJFWVCVDY-AWEZNQCLSA-N 364.467 1.912 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCNC2=O)cc1 48279276 MGKVTKJYRMQMER-UHFFFAOYSA-N 363.381 1.122 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 12940593 ARZVJDPJJSXQKM-SNVBAGLBSA-N 372.497 1.947 0 40 FDAB COc1ccccc1N(CCC(N)=O)C(=O)COc1ccccc1C(N)=O 12901934 XRORBIPVNWVDKH-UHFFFAOYSA-N 371.393 1.082 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)C1 48668237 YYLAJRKRCQNAEM-HZSPNIEDSA-N 361.442 1.240 0 40 FDAB COC(=O)c1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 13135412 RYRGRHYWMITTLS-UHFFFAOYSA-N 361.419 1.948 0 40 FDAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 8548221 YYTXMCLVOIEMEK-SFHVURJKSA-N 359.357 1.844 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4269895 GDGFRDSVSUXHNL-MISXGVKJSA-N 362.373 1.944 0 40 FDAB Cc1nn2c(=O)/c(=C/c3ccc(-c4ccc(F)cc4)o3)sc2nc1=O 4351716 ZEFZXAGTKGHCOA-ZSOIEALJSA-N 355.350 1.766 0 40 FDAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc1 13810097 PRRVEKWVCYHNJG-MFOYZWKCSA-N 369.421 1.941 0 40 FDAB Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1C(F)(F)F 6223862 ITTFMMQMDMELTP-UHFFFAOYSA-N 373.360 1.952 0 40 FDAB O=C(CCCc1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 39985501 MEEOQHSSPYOPSC-AWEZNQCLSA-N 356.513 1.402 0 40 FDAB COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 6384612 CHRBJPALLKWMGI-UHFFFAOYSA-N 367.379 1.674 0 40 FDAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 5343405 QMMNALATACNWML-UHFFFAOYSA-N 372.406 1.990 0 40 FDAB O=C([C@@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1)N1CCCC1 65564993 IRIQZTFTIMZYBR-SHQCLWGWSA-N 352.481 1.984 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCc2sccc2C1 14139675 OQUACQVJESHVNG-MRXNPFEDSA-N 355.463 1.545 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 14236061 HHANHCRRHJRTBG-UHFFFAOYSA-N 360.414 1.438 0 40 FDAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1cccc[n+]1[O-] 5780011 VLHMOHIXDCGUIE-UHFFFAOYSA-N 354.409 1.829 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 7029276 ZCNCZDDGKYSBSZ-GFCCVEGCSA-N 355.398 1.250 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccn1 7099786 FBFXXRIUQYFURU-UHFFFAOYSA-N 367.453 1.612 0 40 FDAB COc1ccc(OCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 7764379 LDHFPCNLDBZTGS-IBGZPJMESA-N 369.377 1.572 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(-n2cnnn2)c1 7989484 DNIOIOBMHKDBBN-UHFFFAOYSA-N 351.366 1.406 0 40 FDAB O=S(=O)(CCc1ccccn1)NCCN1CCc2sccc2C1 96999206 XSBHLWXGUJYSET-UHFFFAOYSA-N 351.497 1.663 0 40 FDAB CCc1cc2c(N3CCO[C@H](CN4CCN(C)CC4)C3)ncnc2s1 95393105 QSOSUKBYGNCFKQ-CQSZACIVSA-N 361.515 1.706 0 40 FDAB CC(C)(CNC(=O)Cc1ccc2c(c1)CCO2)N1CCS(=O)CC1 74108161 GHIBXIANKUXBRU-UHFFFAOYSA-N 350.484 1.123 0 40 FDAB CCc1n[nH]c(=O)c(CNC(=O)Nc2ccc3c(c2)OCCO3)c1CC 79111407 NRJFMANRHFLRPP-UHFFFAOYSA-N 358.398 1.988 0 40 FDAB C[C@H](CC(=O)c1cccc(Br)c1)C(=O)OCC(=O)NC(N)=O 95962729 JRTQQFFZWAUDCM-MRVPVSSYSA-N 371.187 1.396 0 40 FDAB CN(Cc1cccs1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 9908651 NBHJVJYXVLKXRM-UHFFFAOYSA-N 356.407 1.216 0 40 FDAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCCOC)S(C)(=O)=O 22251783 RKZAMMJZCQUTEY-UHFFFAOYSA-N 374.459 1.256 0 40 FDAB Cc1nnc(N2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)s1 306142995 XQEINZRWEHVTSX-LBPRGKRZSA-N 372.441 1.993 0 40 FDAB COCCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833063 PTMBTOKNOXCBST-CYBMUJFWSA-N 362.835 1.020 0 40 FDAB C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NC(c2nccn2C)c2nccn2C)C1 527613948 KXSHCVPWPDSTDU-WCQYABFASA-N 353.430 1.448 0 40 FDAB CCOC(=O)C(CC(=O)c1ccc(OC)cc1)(NC(C)=O)C(=O)OCC 32173592 BXNVVKJZNKLRLH-UHFFFAOYSA-N 365.382 1.269 0 40 FDAB CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 77271176 VWSSPNVLVQHWRB-GFCCVEGCSA-N 369.487 1.285 0 40 FDAB in-vitro O=C(O)c1nnn(-c2ccc3c(c2)OCCO3)c1CSc1ncccn1 85398260 DRTPSROJUHYCKZ-UHFFFAOYSA-N 371.378 1.819 0 40 FDAB COC(=O)c1ccccc1NCC(=O)NC[C@H]1COc2ccccc2O1 40007844 XMIAPGCPSZNCQQ-ZDUSSCGKSA-N 356.378 1.841 0 40 FDAB C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222927204 DMGAEEXBWZJQCX-OAHLLOKOSA-N 374.412 1.730 0 40 FDAB Cc1cc(NC(=O)N2CCC(n3cnnc3O)CC2)nn1[C@H](C)C1CC1 573390735 MBNPLHLOYRNQMW-GFCCVEGCSA-N 359.434 2.329 0 40 FDAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCN1CCOCC1 223126556 ZZQKIMIVRWNTQJ-IAGOWNOFSA-N 357.483 1.714 0 40 FDAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 77184856 PJICFKFZYKKQCU-HXUWFJFHSA-N 374.412 1.560 0 40 FDAB CN(C)C(=O)N[C@@H]1COC2(CCN(C(=O)NCc3cccnc3)CC2)C1 96220728 IVWPOMUPQBLMRO-HNNXBMFYSA-N 361.446 1.186 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@]3(C[C@H](Nc4ccccc4)CO3)C2)c1 96218818 DBDAEAJMQXIEDJ-RDJZCZTQSA-N 362.455 1.454 0 40 FDAB Cc1cccc(C(=O)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)n1 96049163 ZRDMJWOKGLLRMM-IBGZPJMESA-N 353.426 1.692 0 40 FDAB Cc1ccn2cc(CNC(=O)Nc3cnc(N4CCNCC4)nc3)nc2c1 581775372 KIXHIANXSBJVHE-UHFFFAOYSA-N 366.429 1.164 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(C(=O)O)cc2)o1 96114301 KDOHTLYDSPSPLO-ZDUSSCGKSA-N 362.334 1.885 0 40 FDAB biogenic Cc1ccccc1NC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCN(C)CC2)C1 96253272 IYZRJNBOBWKLIG-SOLBZPMBSA-N 372.469 1.390 0 40 FDAB CC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 96143295 QXRSCIAIILHJDE-KRWDZBQOSA-N 364.833 1.542 0 40 FDAB Cn1ccnc1C(=O)NCC[C@H]1CCOC12CN(Cc1cccs1)C2 248095860 CXVPQOQQBDIBHC-AWEZNQCLSA-N 360.483 1.893 0 40 FDAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)C(=O)Nc1ccon1 253397573 FUFCPCIBMVFDPJ-LBPRGKRZSA-N 350.400 1.112 0 40 FDAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O)c1cncs1 257331740 XUBAEEYYWQQSTI-QHSBEEBCSA-N 352.387 1.344 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)N2CCCn3nccc32)[C@H]1c1ccnn1C 622792224 NTWNZCPYOYBJLI-GUYCJALGSA-N 356.430 1.353 0 40 FDAB CCN1C(=O)CO[C@H](C(=O)N(C)c2nc(C)cs2)[C@H]1c1nccn1C 636677810 YNLVBUOUFZVUIB-STQMWFEESA-N 363.443 1.136 0 40 FDAB COc1c(C)cnc(CN(C)C(=O)[C@H]2Cn3c(C)nnc3CN2C)c1C 644325584 UFFDREVDQIWPJQ-OAHLLOKOSA-N 358.446 1.080 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C(F)F)nc1 653893757 JFLXDPBGPMLUMB-LLVKDONJSA-N 368.361 1.984 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)C(C)(C)CC(F)F)C[C@H]1c1ccnn1C 1615545848 CPLZYODQLYVFTM-VXGBXAGGSA-N 372.416 1.159 0 40 FDAB CCN(C(=O)c1conc1-c1ccc(F)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 585286358 KRORJRJDYWAIEN-FMKPAKJESA-N 350.346 1.063 0 40 FDAB Cc1cn([C@@H]2CN(C3CCN(C(C)C)CC3)CC[C@@]2(C)O)c(=O)nc1O 1615156996 NHYOEXZBGOUBPN-VQIMIIECSA-N 364.490 1.128 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1)C(=O)O 5633367 UHZQNHHFDVABCG-KBPBESRZSA-N 364.398 1.365 0 40 FDAB CCn1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2O3)c1C 12183798 HLTMYGWIDPMPJJ-LJQANCHMSA-N 354.410 1.966 0 40 FDAB Cc1ccccc1CCNC(=O)CCc1c(C)nc2nc(N)nn2c1C 12942582 GNTSOHAJRBMCGL-UHFFFAOYSA-N 352.442 1.923 0 40 FDAB Cn1c(=O)n(C)c2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)ccc21 13265442 XUYVBXSWBBNOIZ-UHFFFAOYSA-N 352.398 1.002 0 40 FDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)s1 13996723 XYBXSLRTPDUGCF-UHFFFAOYSA-N 374.469 1.181 0 40 FDAB O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 14405811 HKQFIDVBLRMRNK-UHFFFAOYSA-N 363.337 1.084 0 40 FDAB CC[C@@H](NC[C@@H](O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)C(=O)O 16839703 NLLCXQCZLUXLPZ-HUUCEWRRSA-N 372.487 1.192 0 40 FDAB CCC(CC)C(=O)N1CC[C@@H](c2nn(CCNC(C)=O)c3nccnc23)C1 19500073 YOJBVCFLSWPWAQ-OAHLLOKOSA-N 372.473 1.715 0 40 FDAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCn1cnnn1 19589080 CIHBALGWWGZRJP-NSHGMRRFSA-N 368.485 1.932 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](Oc2cnccn2)C1 225474436 LNWHLJGRJZTPQP-GOSISDBHSA-N 368.437 1.997 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)n1 225406519 ZPKSVLCGVWBQGW-SJORKVTESA-N 368.437 1.664 0 40 FDAB c1cc(N2CCCC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889205339 GRWADCGXCWHEQN-UHFFFAOYSA-N 351.418 1.070 0 40 FDAB C[C@@]1(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)CC=CCC1 1565553519 BOZAPOWJRNNLCR-HXUWFJFHSA-N 356.470 1.928 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)CC1 9704781 ATLYXSHLVMQQRP-UHFFFAOYSA-N 358.394 1.945 0 40 FDAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(=O)[nH]c1 206838643 QPMGQYHLIJPCNJ-AWEZNQCLSA-N 352.350 1.664 0 40 FDAB Cn1cc(-c2nccnc2CNC(=O)c2ccc3nsnc3c2)cn1 575620155 PYBDJCJCLNIOJN-UHFFFAOYSA-N 351.395 1.812 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@H](O)C(F)(F)F)CC1 585501459 FVYCQSSYSRKVIW-ZDUSSCGKSA-N 371.363 1.064 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C1 40086242 HJEIPEYTPIBFLN-QGZVFWFLSA-N 366.531 1.375 0 40 FDAB COC(=O)c1ccc(OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100551163 YLLVDTARIOJGOI-GJZGRUSLSA-N 359.378 1.944 0 40 FDAB COc1ccc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2661369 ASBLTIDCLYXDCZ-UHFFFAOYSA-N 362.451 1.634 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269780 BBUYUNRMQOEVPD-JTNHKYCSSA-N 364.295 1.952 0 40 FDAB CCn1nc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 11545477 VIERBNBYKSDMMH-UHFFFAOYSA-N 362.393 1.432 0 40 FDAB Cn1ncc2c(NCCCN3CCN(Cc4ccccc4)CC3)ncnc21 29170866 HNJCWSVDJTUDDE-UHFFFAOYSA-N 365.485 1.983 0 40 FDAB COc1cc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)NC(=O)[C@H]23)ccc1O 101338815 DLDBZAVQHDYZBM-IXDOHACOSA-N 353.378 1.104 0 40 FDAB Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7974954 DQTYJXWBSQASDQ-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB Cc1ccc(C(=O)N[C@H](C(=O)NCCC(=O)N2CCCC2)C(C)C)cc1 32716771 YAVIADAEPRNZHF-SFHVURJKSA-N 359.470 1.878 0 40 FDAB Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102374414 IECQJDHZFPLEGC-IYBDPMFKSA-N 370.405 1.106 0 40 FDAB CCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NCC 12137458 NDZCJBRRWPKHRJ-UHFFFAOYSA-N 365.455 1.983 0 40 FDAB CC(C)c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 22777150 AGKGZRSQCWWEKZ-MSOLQXFVSA-N 352.500 1.086 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23078572 KPLWOMMUDDEPFR-SUMWQHHRSA-N 365.430 1.677 0 40 FDAB O=c1[nH]nc(-c2ccc(O)cc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1 12376194 DQUPGMMNJHRUQJ-MRXNPFEDSA-N 359.349 1.824 0 40 FDAB O=C(NCCc1nnc2n1CCC2)c1ccc(OC[C@H]2CCCO2)cc1 42502703 LCKKEPZYGCTWOC-MRXNPFEDSA-N 356.426 1.755 0 40 FDAB CC(C)Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1 55246059 FJFXLSLMCXBFCV-UHFFFAOYSA-N 354.472 1.446 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccn(C)c2)c1 25254496 GZTUFEBSCXELHW-UHFFFAOYSA-N 351.428 1.100 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCCOc2ccccc2)CC1 25908376 SVOOLWVVWXYDNS-UHFFFAOYSA-N 354.472 1.633 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc(NC(=O)C(C)C)n1 44404194 XQZJZBYSDZKWFZ-GFCCVEGCSA-N 355.460 1.984 0 40 FDAB CCC[C@H]1CCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 57931153 LDXDTVJHGJHEFU-ZDUSSCGKSA-N 360.501 1.925 0 40 FDAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCN1CCOCC1 27773320 DRMVIPGTTUGWQX-UHFFFAOYSA-N 364.833 1.771 0 40 FDAB CCN(C)S(=O)(=O)c1c(C)nn(CC(=O)NCc2cccs2)c1C 58174648 OMLHZSANOAQFLC-UHFFFAOYSA-N 370.500 1.518 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)Cc1cnn(C)c1 58191989 WBBJMJSAHVCVRI-UHFFFAOYSA-N 362.455 1.676 0 40 FDAB CC[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CCO1 58192252 LDNBTGZXIKHGBU-KPZWWZAWSA-N 363.389 1.230 0 40 FDAB COc1ccc(CC(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1 58217575 IBMBDLHNIKIPBV-UHFFFAOYSA-N 356.426 1.843 0 40 FDAB CCOC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC)c1 58201432 WXUYRACOXDWRNO-CQSZACIVSA-N 354.428 1.153 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cnccn2)CC1 27632073 URMXYMKOWUNCRW-UHFFFAOYSA-N 351.410 1.285 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc2n(c1=O)CCS2 12876299 PBXUVFPKRPAXIQ-CYBMUJFWSA-N 360.439 1.509 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 12856143 ORTZNSHVPXWAMT-KBPBESRZSA-N 364.423 1.204 0 40 FDAB Cc1cc(=O)nc2sc(N3CCN(C(=O)CC4CCCC4)CC3)nn12 12864274 AWKDJCSGSSZJBP-UHFFFAOYSA-N 361.471 1.688 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2CC(N)=O)c1 13023375 GACGBMVTGQWRJD-UHFFFAOYSA-N 373.482 1.843 0 40 FDAB C[C@]12C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)N1CCc1c2[nH]c2ccccc12 4042615 VKJLHLPVZYUVCS-VOJFVSQTSA-N 373.434 1.391 0 40 FDAB biogenic CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)NCCO)c(Cl)c2)[C@H]1C(=O)O 71286886 QTLHJGRMSNJLFE-NEPJUHHUSA-N 354.790 1.357 0 40 FDAB CC(=O)Nc1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 13692393 BAQMJSUUZYLKOQ-JTQLQIEISA-N 353.425 1.172 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 13733006 DRHGQVXXCWERCA-UHFFFAOYSA-N 362.345 1.927 0 40 FDAB O=C(c1ccccc1Br)N1CCN(C(=O)[C@@H]2CCCO2)CC1 49941975 CZEWFXARPWJNHX-AWEZNQCLSA-N 367.243 1.913 0 40 FDAB COC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 65512564 XUZDFQOSCWWHNP-IAQYHMDHSA-N 366.439 1.175 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 5422999 TYQOXMVBUUHRMY-UHFFFAOYSA-N 359.426 1.908 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046929 DGWABIVWJQNIOC-LRDDRELGSA-N 356.426 1.792 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 7989525 XIZRZLUYYMKEOD-UHFFFAOYSA-N 351.362 1.719 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCc3ccc(Cn4cccn4)cc3)nc2n1 16302470 JOPQEWOLSBMWRS-UHFFFAOYSA-N 361.409 1.916 0 40 FDAB Nn1c(S[C@H]2CC(=O)N(c3ccccc3)C2=O)nc2ccccc2c1=O 22607180 CIEATEFQSHFURA-AWEZNQCLSA-N 366.402 1.535 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2OCC(N)=O)c1C 9497611 AIEDEIJWPJPJQB-UHFFFAOYSA-N 372.377 1.738 0 40 FDAB CC(C)(C)c1csc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 95410279 FNTHTHXBOSGVRK-ZDUSSCGKSA-N 357.545 1.745 0 40 FDAB Cn1cccc1[C@@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 78561131 VUCYGNZDCWUONZ-INIZCTEOSA-N 352.394 1.392 0 40 FDAB CCc1cc(N2CCC(CS(N)(=O)=O)CC2)nc(-c2ccncc2)n1 78650550 QSWANBSGZUISBU-UHFFFAOYSA-N 361.471 1.606 0 40 FDAB Cc1c(C(=O)O[C@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1Cl 95947899 RAYWAOHJXFDIEU-JTQLQIEISA-N 355.803 1.573 0 40 FDAB C[C@@H](NC1CCN(CC(N)=O)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C 95996249 BLVNCZVDPCRWFP-UKRRQHHQSA-N 354.495 1.314 0 40 FDAB O=C(c1ccccc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380529 IMEOFTCLCSNRHN-MRXNPFEDSA-N 368.437 1.902 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(F)c(F)c1F 35267940 YEMJAWVAFWEEHC-CYBMUJFWSA-N 371.359 1.366 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306129028 HRWSXFJJOYCKLJ-FMKPAKJESA-N 364.467 1.270 0 40 FDAB Cc1nn2c(=O)/c(=C\c3ccc(Br)cc3)sc2nc1=O 35386787 XQYYEEQRXOYLSE-UXBLZVDNSA-N 350.197 1.130 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1)O2 38832804 BAVKQRPAQHAHAM-KRWDZBQOSA-N 360.435 1.838 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 75164213 MPHRNWQZWVSTTH-QGZVFWFLSA-N 356.426 1.044 0 40 FDAB COc1ccc(CNC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cc1 238895167 QYYLSUFJIMLRJR-CALCHBBNSA-N 369.421 1.540 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(c2ccccn2)C1 130954813 BDXCJBNAHNKEFM-AWEZNQCLSA-N 352.394 1.775 0 40 FDAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@@H]4[C@H]5COC[C@H]54)c3)cc21 527271087 KECBGPOTLNHGFQ-FOLVSLTJSA-N 350.378 1.716 0 40 FDAB COc1ccccc1NC(=O)NCc1nc(C)cc(N2CCOCC2)n1 224180931 MNTXMNKXMCRGKC-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB CCc1ccc(CN2CCc3c(C(=O)N4CCOCC4)nn(C)c3C2)o1 96187488 DEMXBOHMUTXKBM-UHFFFAOYSA-N 358.442 1.606 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)COCCN(Cc1cccnc1)C2 96239920 KJNODIHWUOVQAY-UHFFFAOYSA-N 355.486 1.930 0 40 FDAB COc1ccc(Br)c(CO)c1OCC(=O)N1CCOCC1 95095173 NLRRDUPAKKECDD-UHFFFAOYSA-N 360.204 1.188 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 247537336 AODPIQQILQLWGS-OXYIFRSGSA-N 366.498 1.653 0 40 FDAB N=c1[nH]cncc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 583621212 VHVCDTHZKHEUQU-NOZJJQNGSA-N 352.316 1.856 0 40 FDAB O=C1CO[C@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]2N1C1CCOCC1 257256241 KKQHUHMIOZMFTO-HOTGVXAUSA-N 351.834 1.326 0 40 FDAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)cs1 252492105 MCVYFJORWMZPHG-QMMMGPOBSA-N 353.425 1.649 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4cc(C)on4)C[C@@H]23)n1 253478580 LVNGVURGSIRPCL-DZKIICNBSA-N 358.398 1.638 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)Cc4cccnc4)C3)ccnc12 257288150 PTBVLXANSUFNDA-AWEZNQCLSA-N 364.409 1.043 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1cnccn1 252492705 MTFIPJYKGWERDL-UHFFFAOYSA-N 368.382 1.277 0 40 FDAB O=C(Nc1cncnc1-n1cccn1)[C@H](C[C@@H]1COCCO1)C(F)(F)F 622829046 RRFAYISHWJJNRT-MNOVXSKESA-N 371.319 1.585 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)N2CCc3ccccc3C2)cn1 630650699 PLIUXFSINPGDFJ-SJORKVTESA-N 354.410 1.427 0 40 FDAB Cc1ccc(C2CCN(C(=O)[C@@H]3Cn4c(C)nnc4CN3C)CC2)cn1 644418037 UDQBOGKGYUSOJQ-KRWDZBQOSA-N 354.458 1.510 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc1 96343521 AXIKWPVEHAWWTN-SJLPKXTDSA-N 354.458 1.965 0 40 FDAB biogenic CCCC[C@H](COC)NC(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 605983495 IXAIZCFZRBULMM-HRCADAONSA-N 357.495 1.764 0 40 FDAB CN1CCN(C(=O)c2cccc(CNc3ccncn3)c2)C[C@]12CCOC2 1615588275 ATQMDTOIMKGNFR-FQEVSTJZSA-N 367.453 1.635 0 40 FDAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CCOCC1)C2 585104871 UZCCARJNGNOQOQ-IBGZPJMESA-N 374.481 1.665 0 40 FDAB CO[C@]1(COc2ccccc2)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291158 LVLOSDUFNSDIFG-AEVNEEFTSA-N 374.481 1.961 0 40 FDAB CC(C)Oc1nnc(S[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 58203533 XOBHCBONDWKNEI-ZJUUUORDSA-N 358.489 1.530 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)/N=c3/ccccn3Cc3ccccc3)cnc21 104779792 QYVMKSRVDYNUHY-QJOMJCCJSA-N 374.404 1.107 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C(N)=O)ccc21 15325821 DHGLXNQGQYUAPS-UHFFFAOYSA-N 360.391 1.462 0 40 FDAB NC(=O)c1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)cc1 16121646 IYEFFIKQHMPZCF-UHFFFAOYSA-N 368.798 1.443 0 40 FDAB OCCN(/C=C/c1nnnn1-c1ccc(-c2ccccc2)cc1)CCO 16493207 NVLJEZBUQRJDDG-ZHACJKMWSA-N 351.410 1.587 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)CCN2CCc3ccccc32)CC1 19287850 DZVXSZJFQCGJPQ-UHFFFAOYSA-N 368.481 1.998 0 40 FDAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc1Cn1cccn1 19559436 DRWNCFIHZGMSRB-PMACEKPBSA-N 370.497 1.971 0 40 FDAB Cc1cn(C)c2ccc(C(=O)NCCCN3CCC(C(N)=O)CC3)cc12 19714449 UWYXJLFBKKKRIW-UHFFFAOYSA-N 356.470 1.804 0 40 FDAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)CC(C)C)cc2C1 8840381 UJUBNEITSNSXJC-UHFFFAOYSA-N 360.501 1.792 0 40 FDAB CCN(C(=O)CSc1nc(C)c(C)c(C)n1)[C@@H]1CCS(=O)(=O)C1 6611872 AOZYAXBUCRJMRH-CYBMUJFWSA-N 357.501 1.530 0 40 FDAB CCOc1ccc(-n2ccn3c(=O)n(C[C@H]4CCCOC4)nc3c2=O)cc1 1888908406 IIFJMSKVWICFRV-CQSZACIVSA-N 370.409 1.472 0 40 FDAB CCc1ncnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1F 1888941628 FVQGPRJZDAUMDZ-UHFFFAOYSA-N 354.393 1.480 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)s1 15097683 TUJVHGPZFKHWHZ-UHFFFAOYSA-N 360.501 1.705 0 40 FDAB Cc1nnc2ccc(N3CCCN(c4cc(C5CC5)ncn4)CC3)nn12 1775986129 WSMYVROBOPXGIO-UHFFFAOYSA-N 350.430 1.817 0 40 FDAB Cc1ncc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840865 USDMFLVJLDTMEW-IBGZPJMESA-N 370.384 1.572 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nccc(-c5ccccn5)n4)CC3)nn12 2087045369 FVWPOYSKXBDKJW-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]2O1 1565548347 AWMNBAJYCBFQFK-JQFCIGGWSA-N 369.425 1.083 0 40 FDAB CC[C@@H](C(=O)OC)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 4251618 STVGGVSUSJNMBO-LBPRGKRZSA-N 361.789 1.814 0 40 FDAB O=C(c1ccnc(F)c1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772330 XZPQHYRIWBPHIW-UHFFFAOYSA-N 357.389 1.281 0 40 FDAB COCCN1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2OC)CC1 23127576 ZSZOJTUUNTVRMR-UHFFFAOYSA-N 370.515 1.949 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(N(C)C)CCCCC2)C1 40091869 OQEZQMGPKDNJFJ-INIZCTEOSA-N 373.563 1.819 0 40 FDAB O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc(-n2cccn2)nc1 40040737 ZDOVLKIWJJXWKS-UHFFFAOYSA-N 369.812 1.967 0 40 FDAB Cn1cc(-c2nc(C(=O)N3CCN(Cc4ccncc4)CC3)cs2)cn1 40143600 ZNTPJXCZEFHKBJ-UHFFFAOYSA-N 368.466 1.897 0 40 FDAB COC(=O)c1ccc(OCc2noc(C(=O)NC[C@@H]3CCCO3)n2)cc1 32103310 KTNQZMSCXYCAOZ-ZDUSSCGKSA-N 361.354 1.344 0 40 FDAB OC[C@@H]1O[C@@H](n2c(SCc3ccccc3)nc3ccccc32)[C@H](O)[C@@H]1O 4824722 LARSJCJUSJIUAU-BSDSXHPESA-N 372.446 1.940 0 40 FDAB COc1cc(OC)cc([C@H](NC(=O)c2ccc[n+]([O-])c2)c2nccn2C)c1 29130734 GUNPIZSXACJOOK-KRWDZBQOSA-N 368.393 1.590 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOCC)c(C)c1 7604569 PCEUQUXEYIGZLP-UHFFFAOYSA-N 372.487 1.605 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCc1nnc2ccccn12 32271072 YZFOJXXCMQCRAA-UHFFFAOYSA-N 359.411 1.073 0 40 FDAB C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 29681443 ALQLTUSRFQHIBL-NWDGAFQWSA-N 369.462 1.627 0 40 FDAB COC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476173 VKUKRRXRWMLCLM-LBPRGKRZSA-N 356.444 1.244 0 40 FDAB COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10338641 QYHXUOMBLQZUCC-UHFFFAOYSA-N 371.459 1.161 0 40 FDAB COc1ccc(CCN2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 102771774 GGHWPYWDIVLJDC-SMDDNHRTSA-N 356.469 1.395 0 40 FDAB COC(=O)C(C)(C)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 23152274 JXPZOBZYGOSAQW-UHFFFAOYSA-N 356.444 1.235 0 40 FDAB CN(CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CCCC1 104573121 ZXXACDNQUQGCTH-SFHVURJKSA-N 371.485 1.738 0 40 FDAB COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)[C@H]2OCC[C@H]21 108524686 YIPWDRIRAKTWJH-NLWGTHIKSA-N 367.449 1.996 0 40 FDAB CCCC[C@]1(C)NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 24988432 SQKVNVZEGSJVMW-BUXKBTBVSA-N 373.409 1.144 0 40 FDAB O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cnccn1 306133939 MZTXPTFGMCJAPN-INIZCTEOSA-N 363.425 1.445 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 62119979 XSONVPIZFZEOCD-QMMMGPOBSA-N 364.217 1.553 0 40 FDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 58268131 FYUCOOIILIPOSV-MRXNPFEDSA-N 362.455 1.221 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc3c(s2)CN(C)CC3)C1=O 27988527 BZMYDNABLCCKIV-LLVKDONJSA-N 372.450 1.884 0 40 FDAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)n1 2390194 GIVGLZJZTYNMRP-UHFFFAOYSA-N 368.372 1.413 0 40 FDAB COc1cccc(C[C@H](C(=O)NCCCn2cccn2)n2nnnc2C)c1 48291048 YNKOWUOTGSEHBX-QGZVFWFLSA-N 369.429 1.177 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1c(=O)n(C)c2ccccc21 12821291 NWFCKXQHGSPLMU-UHFFFAOYSA-N 366.421 1.712 0 40 FDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(N)=O)c1 3431627 KIEBICWFLLCZIE-GFCCVEGCSA-N 374.418 1.469 0 40 FDAB O=C1CCC(=O)N(c2ccc(C(=O)NCCSC(F)(F)F)cc2)N1 70003851 JKODBARVCJOGLK-UHFFFAOYSA-N 361.345 1.827 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 13136580 GJFKBBWRFAARTD-KBPBESRZSA-N 371.437 1.903 0 40 FDAB Cn1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c2ccccc2c1=O 13224440 NENSPHOIRQZNCG-HNNXBMFYSA-N 351.362 1.879 0 40 FDAB Cn1cnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8394621 CPMPUKVAIFBSPN-CYBMUJFWSA-N 359.411 1.201 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C 69591178 SDPQXJCPZLETBT-OCCSQVGLSA-N 361.442 1.416 0 40 FDAB O=C(CCc1ccccc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 39985496 XRYNDUOBPNEFEV-HNNXBMFYSA-N 370.902 1.604 0 40 FDAB Cn1cccc1C(=O)NC(=O)CSc1nc2ccsc2c(=O)n1C 14141631 YBNVRPNFPJVIET-UHFFFAOYSA-N 362.436 1.382 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCCCC1 14187334 IAUPZTARSANHHN-CYBMUJFWSA-N 351.472 1.488 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)Nc3ncc(C(N)=O)s3)CC2=O)cc1 14170104 NUNFFRNCEHXOFI-NSHDSACASA-N 358.423 1.796 0 40 FDAB Cn1ncc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C(=O)NCc1ccco1 17885159 LCQUJGWHPFNPDI-CHWSQXEVSA-N 356.382 1.623 0 40 FDAB Cc1ccc(Cl)cc1N1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 6931567 NCMGSPISOCHHQV-ZDUSSCGKSA-N 364.833 1.285 0 40 FDAB O=C(COc1ccc(-c2nnco2)cc1)N1CCN(c2ncccn2)CC1 7773998 AITAHCOSBQTPEZ-UHFFFAOYSA-N 366.381 1.254 0 40 FDAB O=C1O[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)Cc2ccccc21 7784776 WFUUNUCAVUCIDW-HNNXBMFYSA-N 370.430 1.814 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1 8945521 CCLCPJNJUJOLCX-JZKQVHKSSA-N 371.437 1.721 0 40 FDAB Cc1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)no1 96005018 YWFSSFGKVWNNNC-CYBMUJFWSA-N 356.448 1.841 0 40 FDAB Cc1[nH]cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c(=O)c1Br 84008153 LLQJKXOMEZTMPH-VIFPVBQESA-N 371.231 1.861 0 40 FDAB O=C(CC1(O)CCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 95398676 IUHRPSVNDWSTDW-UHFFFAOYSA-N 368.455 1.810 0 40 FDAB O=C1C[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc21 95996944 BHHUHZFJEGKCIG-HNNXBMFYSA-N 355.379 1.268 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1cccc(F)c1 95940684 CYMSXGGOKJIXIY-UHFFFAOYSA-N 353.371 1.940 0 40 FDAB CCCc1noc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)n1 29340379 VLGUPCBWRRWBHK-QGZVFWFLSA-N 358.354 1.718 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[C@H]1CSC[C@@H]1O 36569745 GDADARBDJPFRRR-DKKOHOGUSA-N 370.477 1.377 0 40 FDAB COc1cccc(-c2cc3nc(SCC(N)=O)n(N)c(=O)c3s2)c1 36646165 CEEJBZMGRIVEDF-UHFFFAOYSA-N 362.436 1.425 0 40 FDAB O=C(NCCc1nnc2ccccn12)[C@H]1CCCN(c2ncccn2)C1 32425466 SHIVGHJWDSEFNL-AWEZNQCLSA-N 351.414 1.095 0 40 FDAB COc1cccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)c1OC 35648456 JHSVWUSWXNROAF-VKRGWIQLSA-N 369.420 1.351 0 40 FDAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CO)C2)c1 72359085 SIRRIBJGGQYOAY-OAHLLOKOSA-N 354.410 1.800 0 40 FDAB COc1ccc(OCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 72390802 IXVNVUUFWAGKCY-SFHVURJKSA-N 368.437 1.873 0 40 FDAB Cc1ccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCSC2)cc1Cl 1565519876 RBDGJSUAJSRZMZ-INIZCTEOSA-N 372.874 1.588 0 40 FDAB O=C(NC[C@H]1CCCO1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 33739637 HKHPGBPFRMVRDW-CYBMUJFWSA-N 362.411 1.186 0 40 FDAB CN1C[C@H](C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)CC1=O 72389838 ZQAPTPINPURZIJ-OAHLLOKOSA-N 353.426 1.417 0 40 FDAB Cn1nc(NC(=O)c2cccn(C)c2=O)c2c1NC(=O)C[C@@H]2c1ccco1 42380654 GYTMDPOXYOVPCW-LLVKDONJSA-N 367.365 1.438 0 40 FDAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 40025571 MITFXNXGJQLBJD-GLIVKDKESA-N 352.456 1.956 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2nc(-c3ccncc3)no2)c1C 522238220 WRTSTKMXYUSYAW-UHFFFAOYSA-N 355.354 1.793 0 40 FDAB CSCC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 75157525 FGYXHQWUQYIHMY-OAHLLOKOSA-N 360.501 1.171 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 229911374 YEZNKYFKDZHBMC-GPINWOSQSA-N 360.410 1.370 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c1 573120814 GKLKLLPRRXTJCN-CQSZACIVSA-N 362.455 1.473 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 225499545 GKMGLUVUJSIRFW-AWEZNQCLSA-N 371.393 1.826 0 40 FDAB O=C(CCO)N1CC[C@]2(c3ccccc3)CN(c3ncccn3)C[C@H]2C1 96083341 ULQKCPKWJRQHGG-YLJYHZDGSA-N 352.438 1.466 0 40 FDAB CCNC(=O)[C@H]1CC2(CCN(C(=O)c3nc[nH]n3)CC2)c2ccccc2O1 96080202 QWBBMHHGXDAQAB-OAHLLOKOSA-N 369.425 1.266 0 40 FDAB CN(CC[C@@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 583621844 BOEZAYRTJSDRIF-ILXRZTDVSA-N 365.453 1.344 0 40 FDAB Cn1nccc1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 248035450 MQNLSAJGOKGLRT-KRWDZBQOSA-N 351.410 1.858 0 40 FDAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCOC[C@H]3c3nc[nH]n3)cnc21 585082177 WQKJDVPHRFFOAA-ZDUSSCGKSA-N 369.429 1.598 0 40 FDAB CN1CCC(c2nccnc2CNS(=O)(=O)c2cccs2)CC1 257269299 MPJULKFDRGWUQJ-UHFFFAOYSA-N 352.485 1.826 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@H]1CCc1cnccn1 257263685 LRAFPVQXGCGRCW-OAHLLOKOSA-N 351.403 1.638 0 40 FDAB O=C(CCc1ccc(F)cc1)NC[C@@]1(O)CCCN(c2cnccn2)C1 257262056 LJVVQUFSVPXCSN-IBGZPJMESA-N 358.417 1.696 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C 269720486 UJGLSDKANGSLIY-AWEZNQCLSA-N 363.501 1.426 0 40 FDAB CS(=O)(=O)N(CCN1C(=O)CC2(CCCC2)C1=O)Cc1ccccc1 276641705 ZENJPFWDTILQJN-UHFFFAOYSA-N 364.467 1.768 0 40 FDAB CCC[C@H](C)N1C[C@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775959363 XLPDFQMGDFHKNT-PMOUVXMZSA-N 364.446 1.704 0 40 FDAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@H](C(N)=O)C2)cc1 614122685 PNZKWZLVLBVXCY-CQSZACIVSA-N 367.405 1.895 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC(=O)O)c2cccs2)C1 630100497 FHGVKWRZERUTFY-QWRGUYRKSA-N 360.457 1.052 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2n[nH]c4c2CCC4)C3)n1 575405713 UQTDQQXYTCMSBW-CYBMUJFWSA-N 369.425 1.449 0 40 FDAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCO)cc2)cc1 585262588 XOZBFIYLRNJINB-QGZVFWFLSA-N 361.438 1.938 0 40 FDAB Cc1nc(C(=O)NCC[C@@H]2CN(C(=O)N(C)C)Cc3ccnn32)cs1 585112075 IGNHUOABDNVYRJ-GFCCVEGCSA-N 362.459 1.506 0 40 FDAB COc1ccc(CCC(=O)N2CCN(C(=O)C(C)(C)C(=O)O)CC2)cc1 580716247 CXYLOXZZLOJQIK-UHFFFAOYSA-N 362.426 1.409 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCCC3)C1 685943317 YRIJBSUNATVPCG-GZBFAFLISA-N 358.446 1.023 0 40 FDAB O=C(c1cc(-c2cccc(O)c2)on1)N1CCC(Cc2nn[nH]n2)CC1 1651238882 VOQWHKOLPFETMO-UHFFFAOYSA-N 354.370 1.655 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160431 RGDLOIQCOYELRO-IBGZPJMESA-N 352.394 1.515 0 40 FDAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)NCc2ccccc2)n1 5926525 UTIZHQYIYUNTOW-UHFFFAOYSA-N 371.510 1.945 0 40 FDAB Cc1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1-n1cccc1 11492384 DRPQACWFGJKWAX-UHFFFAOYSA-N 352.398 1.976 0 40 FDAB Cc1cnc2c(c1SCC(=O)N1CCCCC1)c(=O)n(C)c(=O)n2C 10216234 AXCUQPYXSGMIIS-UHFFFAOYSA-N 362.455 1.045 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@@H]3C2)n1 1888843216 FFJFKNOISAYRJV-PHIMTYICSA-N 366.347 1.867 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4cn(C)nc4C(F)F)C[C@@H]3C2)n1 1888843513 HULVTSFIJXMSAJ-VXGBXAGGSA-N 362.384 1.665 0 40 FDAB Cc1cc(C)nc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1 1888844376 XFWPOVWACKKVEJ-UHFFFAOYSA-N 371.363 1.889 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@@H]4C3)ncnc21 1888885380 AZDNTBVOVKFHML-KBPBESRZSA-N 369.473 1.866 0 40 FDAB Cc1ccc(OCCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 14021381 LEPZLIMAFJALCI-UHFFFAOYSA-N 359.470 1.577 0 40 FDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)Cc2c(C)n[nH]c2C)C1 2037938497 LERDQFNPOXWQJC-FQEVSTJZSA-N 373.453 1.546 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)Cc1cccc(F)c1)CCO2 2037985295 DXDAXXIQIOQQGE-IBGZPJMESA-N 364.417 1.233 0 40 FDAB O=C(O)COC(=O)COC(=O)Cc1cccc(C(=O)c2cccs2)c1 2061000605 QFVMHJCNJYHOON-UHFFFAOYSA-N 362.359 1.693 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccco1 4576970 HFUKQQPASJRFPB-VIFPVBQESA-N 353.381 1.779 0 40 FDAB Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)ccnc2n(C)c1=O 4942193 MMQBZJHCLUVPIG-UHFFFAOYSA-N 370.434 1.041 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)CCc1ccccc1 8954754 STPGSYHCRMTHGM-UHFFFAOYSA-N 373.434 1.665 0 40 FDAB CSc1nn(CC(=O)Nc2cccc(C)c2C)c(N)c1S(C)(=O)=O 12415074 HKRBXKZWTFYGCJ-UHFFFAOYSA-N 368.484 1.846 0 40 FDAB O=C(N[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1ccccc1 40017347 MBPCNFOUKYERNV-SJORKVTESA-N 372.446 1.461 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40113774 HSFMKPQMVNKYJO-UHFFFAOYSA-N 366.439 1.956 0 40 FDAB C[C@H](NC(=O)NC[C@@H](C)Cn1cccn1)c1ccc(S(C)(=O)=O)cc1 50151707 SNTNGULXTDMHNR-KGLIPLIRSA-N 364.471 1.983 0 40 FDAB Cc1cc([C@H]2CCCN2C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)no1 31161700 ITNQVVYJJRGFFM-OAHLLOKOSA-N 354.366 1.350 0 40 FDAB Cc1cc(NC(=O)CN(C)Cc2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 28965729 DNLZIHSJWBXGPS-CYBMUJFWSA-N 366.443 1.215 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 7783389 GFJFIKVQRWYTDY-UHFFFAOYSA-N 362.349 1.568 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102259701 BERLLYQWCZKKNP-AOOOYVTPSA-N 365.411 1.434 0 40 FDAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3CC)n(C)c1=O 10356828 AFCIYIWENZMDBF-VQHVLOKHSA-N 358.446 1.715 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1 10384985 LEZCTCDWKCLIFQ-UONOGXRCSA-N 364.423 1.381 0 40 FDAB CCOc1ccc(OCCn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 7143371 XRMRXSIISCVRFL-UHFFFAOYSA-N 353.382 1.917 0 40 FDAB O=S(=O)(Cc1ccccc1CNCc1ccccn1)N1CCOCC1 67693168 TXPVMDOEKFFEKY-UHFFFAOYSA-N 361.467 1.533 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCn2nnc3ccccc3c2=O)n1 23246699 WYVDYVIIMSTYNP-UHFFFAOYSA-N 354.414 1.201 0 40 FDAB CNC(=O)c1nn(C)cc1NC(=O)[C@H](C)n1cc(Br)c(C)n1 2804211 UALJBMXVRPOYLI-QMMMGPOBSA-N 369.223 1.247 0 40 FDAB CC[C@@H](CNC(=O)CN1CCN(CC(=O)N(C)C)CC1)c1ccccc1 22912256 JWVFCEITINZVTI-KRWDZBQOSA-N 360.502 1.002 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H]3c3ccncc3)cc2[nH]c1=O 24434897 YSABKJVYCJJPDM-HNNXBMFYSA-N 372.406 1.137 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 24987974 VBNMTRMASKJYQA-KRWDZBQOSA-N 362.393 1.906 0 40 FDAB CCNC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCOCC)cc1 67896994 IDGOGRIFWFDGSF-NVXWUHKLSA-N 365.430 1.125 0 40 FDAB biogenic,in-vitro COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1 106922563 KRIMBMBZBARCGF-XKQJLSEDSA-N 367.490 1.395 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1ncccn1)CN(Cc1ccoc1)C2 306139647 TWORGBBXPZJAID-AWEZNQCLSA-N 352.398 1.219 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3S2(=O)=O)cs1 306126886 FIBGUEFFVVZQOF-WCQYABFASA-N 370.525 1.554 0 40 FDAB CCOc1cc(CNCCNC[C@@H](C)O)cc(Br)c1OC 22076082 UYYQUEZDINDIEH-LLVKDONJSA-N 361.280 1.916 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1)c1ccccc1 58328573 STEFGRJRHOVJRD-OAHLLOKOSA-N 357.454 1.161 0 40 FDAB O=C(CN1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1)NC1CC1 36386843 FJRSSJGXZRDDIL-MDZDMXLPSA-N 364.449 1.671 0 40 FDAB O=S(=O)(Nc1cnn(CCO)c1)c1ccc(F)c(C(F)(F)F)c1 48375348 RFBWBLVDXNXAJT-UHFFFAOYSA-N 353.297 1.834 0 40 FDAB Nn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1cccnc1 3428470 KWMJHMOTUBWEQG-UHFFFAOYSA-N 361.818 1.833 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 3505731 NTCGVDDWKIYMSY-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB Cn1c(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 8135958 QUOWAULGPBPKTK-UHFFFAOYSA-N 355.398 1.054 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(COC1=O)N2 4495884 OAMNHZZRDZNOCH-CYBMUJFWSA-N 353.378 1.325 0 40 FDAB COc1ccc(O)c(C(=O)c2cnn(C(=O)Cn3c(C)csc3=O)c2)c1 14160675 CMYZEJCSVAHIEK-UHFFFAOYSA-N 373.390 1.700 0 40 FDAB CN(C)c1cc2c(cc1NC(=O)c1ccccc1)n(C)c(=O)c(=O)n2C 20428068 JYEWWHZMDRPOGK-UHFFFAOYSA-N 352.394 1.556 0 40 FDAB CCCCn1nnnc1Cn1cnc2c(cnn2-c2ccccc2)c1=O 6842507 FXMSPEJUDHEFBH-UHFFFAOYSA-N 350.386 1.417 0 40 FDAB COc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 6993059 ZMRMPUQMVDXKGT-UHFFFAOYSA-N 361.398 1.532 0 40 FDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3S(C)(=O)=O)c2C)c1 96000375 WZOSEHRZIVSJMK-INIZCTEOSA-N 365.455 1.831 0 40 FDAB COc1ccc(/C=C(\C(=O)N2CCOCC2)n2ccccc2=O)cc1OC 9660026 SSEMKXPCUGSZHK-DTQAZKPQSA-N 370.405 1.722 0 40 FDAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccnc1 72191598 HTUVCIHBTIDZPZ-UHFFFAOYSA-N 372.410 1.464 0 40 FDAB O=C(CCN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1)NC1CC1 75612142 HQYFYJQUZISBRK-UHFFFAOYSA-N 367.453 1.299 0 40 FDAB C[C@H](Cc1ccccc1)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 72310901 XRRGDFBWUOQWJQ-LLVKDONJSA-N 356.382 1.057 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)NC1CCN(C[C@H]2CCOC2)CC1 77017640 QXGVEDVOTGDHGM-MRXNPFEDSA-N 359.470 1.342 0 40 FDAB O=c1ccnc2sc(N3CCCC[C@H]3c3nnc4n3CCCC4)nn12 95393720 WSXFAEVIWUDXMY-NSHDSACASA-N 357.443 1.810 0 40 FDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@]1(C)CCOC1 543468520 JSBKUZAOBDSBOF-QGZVFWFLSA-N 354.472 1.557 0 40 FDAB O=C(NCc1cn2ccccc2n1)c1cccc(N2CCCS2(=O)=O)c1 23754777 HDMKVVZGZXQXQH-UHFFFAOYSA-N 370.434 1.804 0 40 FDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408556366 ICHHHUUDBFCSGU-CQSZACIVSA-N 354.472 1.931 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 218356053 CQLLHGXSRBIUBY-UONOGXRCSA-N 372.414 1.839 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 31812943 XHESBJSAOQFQNW-LLVKDONJSA-N 364.402 1.811 0 40 FDAB CS(=O)(=O)NNc1ncc(Br)c(N2CCCCC2)n1 73658690 MMBHGCBYEZFFQL-UHFFFAOYSA-N 350.242 1.106 0 40 FDAB COc1ccc(CC(=O)N2CCc3nnc([C@H]4CCCN4C)n3CC2)cc1 72380194 YLIVJNJSIJBQJE-QGZVFWFLSA-N 369.469 1.681 0 40 FDAB COC(=O)c1ccccc1NCC(=O)NC[C@@H]1COc2ccccc2O1 40007842 XMIAPGCPSZNCQQ-CYBMUJFWSA-N 356.378 1.841 0 40 FDAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CCOCC1 225730028 CUQDLCCMESOFNG-UHFFFAOYSA-N 351.200 1.623 0 40 FDAB CCC(=O)C1(C(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)CC1 574717190 DROCRIPWQBNSEA-UHFFFAOYSA-N 363.502 1.539 0 40 FDAB O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccnc3)C2)C1)c1cnccn1 96206256 CRKYCIHJPXODTO-QFBILLFUSA-N 353.426 1.425 0 40 FDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)cn1 96100073 JGOXJOWHPJDIOF-FGTMMUONSA-N 358.442 1.557 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](NC(=O)N(C)C)CO2 96073266 OWVLMPXTCDIOTM-ZDUSSCGKSA-N 350.419 1.326 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cc1 96071527 XVNVXXQUFGAOHH-QGZVFWFLSA-N 352.456 1.725 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106934 NUVYRMYUMQRMBY-OAHLLOKOSA-N 352.456 1.714 0 40 FDAB CCOC(=O)c1sc(NC(=O)COc2cn(C)c(C)cc2=O)nc1C 95476133 DLBWBNGYGSNVGL-UHFFFAOYSA-N 365.411 1.653 0 40 FDAB Cc1cccc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)c1 247883087 CLMDNSFFIKYYQG-QGZVFWFLSA-N 373.478 1.853 0 40 FDAB CCOc1ccc([C@@H](C)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 245224773 DISFUJJIKWSRFI-HIFRSBDPSA-N 354.472 1.381 0 40 FDAB CO[C@@]12C=C[C@@]3(C[C@H]1CO)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 253504722 KSIZHHFJCGTAKZ-KUIZKKERSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro CN1C[C@H]2C[C@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260832412 JIAYBQJIQNMQFJ-PELKAZGASA-N 350.318 1.558 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nnnn2-c2c(C)cccc2C)C1 643859066 VXPJPGYXHZYGBK-CABCVRRESA-N 353.430 1.964 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 647927600 VPFUEIOKGNHKGC-INIZCTEOSA-N 370.427 1.208 0 40 FDAB CN1CCN(C(=O)C(=O)NC[C@H]2CC[C@H]3C[C@H]2CO3)[C@H](c2ccccc2)C1 1262501516 NNFCAQIEZMRCPX-XWSJACJDSA-N 371.481 1.433 0 40 FDAB Cn1c(=O)n(CC(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)c2ccccc21 653333077 KUMAZPVQHRXQHO-LSDHHAIUSA-N 365.389 1.769 0 40 FDAB CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCC[C@H](C)O2)CC1 661071335 HGCGIFPJJRCXEH-DZGCQCFKSA-N 361.508 1.446 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 67332513 BQFIDJIXRXCWRR-JKSUJKDBSA-N 364.398 1.951 0 40 FDAB O=C1NC[C@@H](C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c2ccccc21 1638882106 ISGSTBPRZFYSOI-SJORKVTESA-N 361.405 1.732 0 40 FDAB CC1(C)C[C@@H]1C(=O)N/C(=C/CCCCSC[C](N)C(=O)O)C(=O)O 1560408714 AXWYGJIGPSTFCH-HAAVITCDSA-N 357.452 1.596 0 40 FDAB CCOc1cc(C)c(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC 5980196 NGXKSAXGHOENEE-MDWZMJQESA-N 362.382 1.858 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1 12144576 MALRMODEOFQURV-UHFFFAOYSA-N 374.466 1.426 0 40 FDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCn2c1nc1ccccc12 13129741 CZGQAKJNXZXCAE-STQMWFEESA-N 352.394 1.558 0 40 FDAB Cn1ncc(Cl)c1C(=O)N1CCc2nc3sccc3c(=O)n2CC1 13265330 RZGKUPYGHCMQDI-UHFFFAOYSA-N 363.830 1.543 0 40 FDAB Cc1cccc(C)c1N(CC(=O)NCCCN1CCCC1)S(C)(=O)=O 13673234 QZNZNKMXYWIVRK-UHFFFAOYSA-N 367.515 1.672 0 40 FDAB CC(C)OCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15913676 FHSBVTQOWFJHQT-UHFFFAOYSA-N 362.879 1.892 0 40 FDAB CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 19699836 DVXWVVCMYAGPHD-OAHLLOKOSA-N 364.490 1.572 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(CN(C)C)n(C)n2)C1 19709021 GBZFPEBMQWYASF-CQSZACIVSA-N 357.524 1.248 0 40 FDAB Cc1ncnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1C 1888853984 MCFVPZWWWIYMLC-UHFFFAOYSA-N 371.466 1.755 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cscn5)C[C@H]4C3)ncnc21 1888904191 OBKGDWRCOPTADF-VXGBXAGGSA-N 369.454 1.511 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)c3nc4ccccc4s3)C2)ccn1 1889217657 OJTDAGDTMQOEKR-UHFFFAOYSA-N 354.391 1.694 0 40 FDAB Cn1c(C(=O)N2CCO[C@H](c3nccnc3N)C2)cc2cc(F)ccc21 1848353837 ONWMODAMMXAMKD-HNNXBMFYSA-N 355.373 1.903 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cnccn3)CC[C@H]21 1848354203 RNJRYRYKZYHGDZ-ZHALLVOQSA-N 350.422 1.953 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)c3ccsc3)C[C@H]2O1 1565546370 ZIHHODTWFCYCSU-FPMFFAJLSA-N 358.423 1.796 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)COc4ccccc4F)C3)nn12 1565519709 XFCWUEHRUYXWEU-UHFFFAOYSA-N 370.388 1.298 0 40 FDAB Cn1cccc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)c1=O 1565554551 VCHYLAVRGZUBQB-UHFFFAOYSA-N 353.422 1.905 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1)c1ccccc1 1565523238 JYIHSHAZIQPFBV-UHFFFAOYSA-N 370.384 1.844 0 40 FDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 3015832 WKIOOKMHUYZHMA-UHFFFAOYSA-N 369.425 1.393 0 40 FDAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 4495924 SLWPFZUDYLJXOB-LLVKDONJSA-N 359.769 1.578 0 40 FDAB COCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945222 WKQZMXQPIRGENQ-UHFFFAOYSA-N 359.430 1.528 0 40 FDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)N1CCOCC1)CSC2 5437815 BIUATYKESVXXQK-UHFFFAOYSA-N 372.450 1.725 0 40 FDAB COCC(=O)Nc1c2c(nn1CC(=O)NCCc1ccccc1)CSC2 23139652 MYSWELCTPFUYTE-UHFFFAOYSA-N 374.466 1.574 0 40 FDAB O=S(=O)(NC[C@H](c1cccnc1)N1CCOCC1)c1cccs1 23203208 QBZLAEIWECZKME-CQSZACIVSA-N 353.469 1.495 0 40 FDAB COCc1nsc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298049369 WIQFTRYLNPUCBW-UHFFFAOYSA-N 374.470 1.755 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 9338441 NRDUOAFSSKWOTP-UHFFFAOYSA-N 370.408 1.141 0 40 FDAB CCOC(=O)CCC(=O)Nc1nn(C)c2c1[C@@H](c1ccco1)CC(=O)N2 36705568 MSKIHXWWSMXPGP-SNVBAGLBSA-N 360.370 1.769 0 40 FDAB COc1ccc(CNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC 13341689 BZMBXKAMRUONCW-UHFFFAOYSA-N 351.380 1.881 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[C@H]1CSC[C@H]1O 36569747 GDADARBDJPFRRR-YEXMUNATSA-N 370.477 1.377 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2nnc3n2CCCCC3)C1=O 40024695 GNMAIXBMROSCKX-ZDUSSCGKSA-N 369.425 1.435 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1 30437650 JMMUZKZGQSKKNW-UHFFFAOYSA-N 369.421 1.986 0 40 FDAB COC(=O)c1c(SCC(=O)NCc2cccs2)nc(=O)[nH]c1C 31618113 AQBQKEMNBKZXEW-UHFFFAOYSA-N 353.425 1.335 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4544756 MLBZDPXVBJLMEN-GGNLRSJOSA-N 371.389 1.452 0 40 FDAB O=C(Oc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680826 ZRXBQAYUYIERFY-UHFFFAOYSA-N 353.421 1.988 0 40 FDAB Cn1cc(S(=O)(=O)NCCOc2cccc3c2OC(C)(C)C3)cn1 46036204 YHAOWDJAFFEEGS-UHFFFAOYSA-N 351.428 1.491 0 40 FDAB C[C@]1(NC(=O)Cc2cc(Cl)cc3c2OCOC3)CCS(=O)(=O)C1 29786078 XQQYBFYGOHXDSQ-HNNXBMFYSA-N 359.831 1.442 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1 21669086 HJEKRHMTMFYJKI-AWEZNQCLSA-N 351.428 1.176 0 40 FDAB CC(C)CNC[C@@]1(COc2ccc(S(C)(=O)=O)cc2)C[C@H](O)[C@H](O)C1 107283923 RXBLDJHONVYQDI-PIIMJCKOSA-N 371.499 1.217 0 40 FDAB biogenic,in-vitro CCCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997661 RCFHILPALOMYJD-UHFFFAOYSA-N 360.457 1.140 0 40 FDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N(C)Cc1ccccc1 7250306 GBZHYDLLKZZSDW-AWEZNQCLSA-N 365.393 1.866 0 40 FDAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(Cc2ccncc2)CC1 22792088 JTFVIWMUQQQLFJ-UHFFFAOYSA-N 371.485 1.802 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@@H](O)[C@H]2O[C@]2(C/C=C(\C)C(=O)O)[C@@H]1O 100063102 AGWIINKICRXDEB-SYVRRXKOSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro COc1ccc(CN(C)C(=O)c2cccc(-n3cnnn3)c2)c(OC)c1 29266960 WARZWXWFDYVCKY-UHFFFAOYSA-N 353.382 1.952 0 40 FDAB O=C1CN(C(=O)CN2CCC[C@@H](CN3CCOCC3)C2)c2ccccc2N1 69803004 JUVHEKZTXRZCLN-INIZCTEOSA-N 372.469 1.016 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)nc1)N1CCN(c2ncccn2)CC1 55079428 NXNOIWNMQUUFRO-UHFFFAOYSA-N 369.429 1.062 0 40 FDAB COc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)cc(Cl)c1OCC(N)=O 57553660 MXVTZYKJFHSDFI-NSHDSACASA-N 367.833 1.179 0 40 FDAB COC(=O)c1sccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 24778778 MOMQNWBGMOWHTH-AWEZNQCLSA-N 373.434 1.385 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 170609946 KYKUIYWAQVIUIM-RBSFLKMASA-N 353.422 1.798 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1ccc2c(c1)OCO2 25349032 IVALYXHXOQHPQU-UHFFFAOYSA-N 368.311 1.955 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCCc2ccccc2OC)CC1 26310736 YTOUXUNNDVNJQK-UHFFFAOYSA-N 369.487 1.351 0 40 FDAB Cc1c(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)nnn1-c1cccc2cccnc12 108391275 SQOIWINGPFHQNF-ZOBUZTSGSA-N 363.421 1.967 0 40 FDAB COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 68933159 RBTFBWBCHDXHKV-GJZGRUSLSA-N 354.472 1.547 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1 44697984 FTTOPKWXLBPIQM-AWEZNQCLSA-N 363.443 1.410 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 10089600 MRRICKDELWJVKA-HNNXBMFYSA-N 365.397 1.095 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)C2CCCCC2)c1 3242830 ARAYSLRKSOIZGW-UHFFFAOYSA-N 368.455 1.543 0 40 FDAB CN(C)C(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1F 58192180 CQLHJRLENXSOBF-UHFFFAOYSA-N 353.213 1.297 0 40 FDAB CCn1c(N)c(N(C)Cc2coc(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O 58313167 FRKSVVAJMAGRPS-UHFFFAOYSA-N 359.361 1.569 0 40 FDAB COC(=O)c1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)nc1 36394967 REWGCXXLSGSJJA-UHFFFAOYSA-N 367.361 1.770 0 40 FDAB NC(=O)c1ccc(-c2nnn(CC(=O)N3CCc4sccc4C3)n2)cc1 12972028 KQSGYZNTTHHWKA-UHFFFAOYSA-N 368.422 1.085 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)CC1 13364751 DZNUCWFKZMFVOK-UHFFFAOYSA-N 367.427 1.128 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(F)cc1 16596287 BKLJGPLPKNUPOF-INIZCTEOSA-N 358.369 1.456 0 40 FDAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3C[C@H]3CCCO3)nc12 8547753 QTJRFAMPWZMBBR-LLVKDONJSA-N 358.427 1.689 0 40 FDAB COC(=O)CNC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 6108766 YYGANSKQNHHSBP-UHFFFAOYSA-N 366.468 1.534 0 40 FDAB NC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2cc(Br)ccc2n1 14093878 KONMXEYYMNLPOT-LBPRGKRZSA-N 365.231 1.297 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 14083912 IJRWPBKFBSNZIS-UHFFFAOYSA-N 359.401 1.932 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 5450069 IJOQTQCOJOLRRR-SFHVURJKSA-N 361.398 1.345 0 40 FDAB O=C(NCCN1CCCC1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4699132 IGWWDXGAECSOFJ-SFHVURJKSA-N 371.412 1.623 0 40 FDAB CC(C)OC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C 14903018 VWAXJIFULXMIPI-GOSISDBHSA-N 360.366 1.090 0 40 FDAB COC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 9313683 KRLGUPHCGJESPC-VIFPVBQESA-N 357.204 1.247 0 40 FDAB CC(C)c1ccc(CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 9366751 JAUNQPZSQPNLBV-UHFFFAOYSA-N 373.478 1.966 0 40 FDAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccc2c(c1)OCO2 9421726 IDTJWKFEUSKPKH-VIFPVBQESA-N 357.395 1.879 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1C 9667959 CXDPDKAKIFFBKQ-UONOGXRCSA-N 370.471 1.356 0 40 FDAB CC(C)Cn1nc(C(=O)NCCCNC(=O)C(C)C)c2ccccc2c1=O 89856631 NMDCGZJOIFQYRH-UHFFFAOYSA-N 372.469 1.945 0 40 FDAB CCN(CC)[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)c1ccsc1 89967778 LLYBTISYGLBJFT-JKSUJKDBSA-N 353.488 1.495 0 40 FDAB COC(=O)c1ccc(CN(C)Cn2nnn(-c3cccs3)c2=O)cc1 95349861 GPXUUGYTQSGDMI-UHFFFAOYSA-N 359.411 1.367 0 40 FDAB O=C1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CN1 95996745 KFBPNVNHJDBVNC-CHWSQXEVSA-N 370.236 1.603 0 40 FDAB Cn1nccc1C(=O)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95998368 DHDSPXVURHSYLV-SFHVURJKSA-N 367.453 1.374 0 40 FDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306128397 GZHKPGWFZJDAJV-ZMSDIMECSA-N 355.442 1.806 0 40 FDAB COc1cc2c(cc1OC)[C@@H](NC(=O)COc1c[nH]c(C)cc1=O)CC2 524732219 OMZWMJBLPTWGRJ-AWEZNQCLSA-N 358.394 1.883 0 40 FDAB biogenic COc1ccc(CCN(C)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 32895412 KSPPYUNCUDZTHB-KBPBESRZSA-N 372.487 1.532 0 40 FDAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cnc(C)nc4)C[C@H]32)c(OC)n1 72392625 PVVHYVRPNYDBPF-ZSZQSSIHSA-N 371.441 1.322 0 40 FDAB CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)s1 224362025 ICCWNQUQNUPQLU-VIFPVBQESA-N 364.518 1.650 0 40 FDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCn2c1nc1ccccc12 85472748 XNJDLZRSXAKCDC-CYBMUJFWSA-N 354.410 1.410 0 40 FDAB O=C1CC[C@@H](NC(=O)[C@@H]2CCc3cc(Br)ccc32)C(=O)N1 576639123 IZXSVPICMZYPOQ-VXGBXAGGSA-N 351.200 1.400 0 40 FDAB COC(=O)CCC(=O)N1CC[C@@H]2CN(CCC(C)C)S(=O)(=O)[C@@H]2CC1 96145564 KNIFQMRYJRVNDB-HUUCEWRRSA-N 374.503 1.238 0 40 FDAB CCOc1cc(C=O)c(Br)cc1OCC(=O)N1CCOCC1 95095112 DMZLLRQGWKIFFB-UHFFFAOYSA-N 372.215 1.898 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2ncnn2CC(C)C)C1 583618891 YMFAGPJJWCZCLN-KGLIPLIRSA-N 356.434 1.334 0 40 FDAB CC(C)NC(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225258 WFCHVCXABWCCDH-IBGZPJMESA-N 373.457 1.769 0 40 FDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)CC3=CCCCC3)C2)C1 96209829 FUWORZPYVXTDGT-NVXWUHKLSA-N 356.488 1.576 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@@H](Oc1ncccc1F)CO2 96107054 VVWYCXFTLLHAKA-CYBMUJFWSA-N 358.373 1.853 0 40 FDAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 580933059 MMILZSYAKVHTRP-MRXNPFEDSA-N 351.410 1.825 0 40 FDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)nn1 96043350 TVPIDNPLENJXPD-IXDOHACOSA-N 356.426 1.926 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)on1 96215353 IPIOOBXIMQQXEU-MGPQQGTHSA-N 358.398 1.963 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)cn1 257252474 JUYCNAYYMMTLHK-HNNXBMFYSA-N 351.410 1.993 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257336699 YPQHMJBKAXRFAC-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 257330418 XOHNELAXDYIYHZ-OAHLLOKOSA-N 367.457 1.812 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCCn2cccn2)n1 257329151 XISUNPIYFOYJKX-KRWDZBQOSA-N 356.430 1.453 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 257314829 UYQSSYWJNUYBED-CYBMUJFWSA-N 351.414 1.656 0 40 FDAB Cc1c[nH]c(-c2cnc(C[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)n1 257343548 ZTLGPSUQQIUIFT-CYBMUJFWSA-N 364.475 1.236 0 40 FDAB O=C(NCCC(=O)N1CCC[C@@](O)(CN2CCCC2)CC1)c1cccnc1 257322679 WGYNJLNSMSECQZ-FQEVSTJZSA-N 374.485 1.041 0 40 FDAB Cc1cc(N(C)C)nc([C@H]2COCCN2S(=O)(=O)C2CCCC2)n1 257201981 AJYHHBYKMCIPML-CQSZACIVSA-N 354.476 1.497 0 40 FDAB C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 265137379 AUMRMHLVMOWQLY-MRXNPFEDSA-N 366.469 1.991 0 40 FDAB CCCCCOC(=O)Cn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C 85554782 UEMMNUQZTKEXOB-UHFFFAOYSA-N 354.432 1.269 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CCc3cnccc32)cc2c1OCCO2 544937527 RIMGFLCXDKRLAU-UHFFFAOYSA-N 362.363 1.302 0 40 FDAB COC1CCN(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)CC1 656623522 GFASMWZRCNRDCG-UHFFFAOYSA-N 370.427 1.502 0 40 FDAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(N)=O 679039740 JXYJYWYUKGRYGE-XYPWUTKMSA-N 358.442 1.339 0 40 FDAB CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2nc(CC3CC3)no2)cn1 602821222 NCJHCIDPFZUYQI-CQSZACIVSA-N 365.459 1.210 0 40 FDAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1)C(C)C 36575326 FROVKFMRLBSWEF-GDBMZVCRSA-N 357.414 1.659 0 40 FDAB biogenic Cc1[nH]c2c(C(=O)N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)cccc2c1C 628257825 CMZPDBFBGDRQAZ-IAGOWNOFSA-N 354.410 1.783 0 40 FDAB O=C(O)[C@@H]1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)[C@@H]2CCC[C@H]12 630280262 MOHQFPYNLZBFFC-LALPHHSUSA-N 371.393 1.204 0 40 FDAB CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1 630651058 RPHPMNAVXNDLMN-DLBZAZTESA-N 356.426 1.891 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585111817 HHXNFBJSJUDONS-ZDUSSCGKSA-N 356.398 1.267 0 40 FDAB Cc1ccc(OC[C@]2(O)COCCN(C(=O)Cc3ccccn3)C2)cc1 585276719 HQUFRAIDFZRWHJ-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB CN1C(=O)COC12CCN(C(=O)Cc1ccccc1N1CCCC1=O)CC2 1615589361 GVQBAKHQBCTMER-UHFFFAOYSA-N 371.437 1.163 0 40 FDAB O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 5045608 PMDDJPDHAJRDGR-UHFFFAOYSA-N 351.472 1.896 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12087264 XUVRVTIIIDQCKO-ASTRLGPVSA-N 368.433 1.771 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)NCc1ccccc1 12899710 TWIFZGZWUUHSKM-UHFFFAOYSA-N 368.437 1.858 0 40 FDAB CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 13036887 DWWAHVSNMVNJCM-UHFFFAOYSA-N 369.404 1.798 0 40 FDAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 16575238 UGMNVASVYDJPRY-CQSZACIVSA-N 370.471 1.247 0 40 FDAB CCc1ncc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cn1 19523382 ORWGOJBBMHNJEA-LBPRGKRZSA-N 367.500 1.674 0 40 FDAB CNc1cc(CN(C)CC(=O)NC2CCCCC2)nc([C@@H]2CCCNC2)n1 19709701 QYEHJZFSUBQKCT-OAHLLOKOSA-N 374.533 1.866 0 40 FDAB COCCC(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19752343 DWZTVQNZPCBYID-INIZCTEOSA-N 361.490 1.621 0 40 FDAB CCOC(=O)c1sc2nc(CN3CCN(C)CC3)[nH]c(=O)c2c1C 19926567 BDXIYZOVJXKMLX-UHFFFAOYSA-N 350.444 1.217 0 40 FDAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CN)CC2)C1=O 643587829 PDVIAVLALCUBAV-UHFFFAOYSA-N 373.497 1.818 0 40 FDAB NC(=O)c1cnn2c(O)cc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 643550298 BZFMJWSWNYGNAT-SECBINFHSA-N 355.329 1.193 0 40 FDAB c1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 12234975 QOMHXPIAWMUJCN-UHFFFAOYSA-N 370.457 1.199 0 40 FDAB Cc1c(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 2037839696 APKGPOWXJGCGGY-LJQANCHMSA-N 372.400 1.516 0 40 FDAB COc1c(C)cnc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1C 2086988577 KSDMQRSNXYMRFC-AWEZNQCLSA-N 353.488 1.753 0 40 FDAB O=C(CC1(O)CCC1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565554126 KNFIBKQHYMIDIS-RCCFBDPRSA-N 360.454 1.909 0 40 FDAB O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCC2 1565552738 VGNLFJOGOCLQPK-VQFNDLOPSA-N 366.421 1.760 0 40 FDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)Cc1ccc(F)cn1)CC2 1565547181 LRGFQCUQKFCMCS-LJQANCHMSA-N 363.433 1.783 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)OCc1ccccc1 575616952 OPJWPYLLCUSFOE-INIZCTEOSA-N 352.456 1.564 0 40 FDAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(Nc4cccnn4)C3)cc2)co1 606440585 GWAMVXCYAPWJTG-UHFFFAOYSA-N 371.422 1.925 0 40 FDAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1nnc2n1CCCCC2 40012911 NZRWBCYJLKKYNR-UHFFFAOYSA-N 372.425 1.911 0 40 FDAB Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 40151587 DPXKVEBLKAAXKN-MRXNPFEDSA-N 353.488 1.998 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Br)c1 1032252 FNUWEPYQFFFCTK-OXIQGZBJSA-N 350.168 1.254 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccccc1F 11591532 OSEPAAVLFFLBHN-IBGZPJMESA-N 369.352 1.994 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547919 ILGGWIYUKGGGFE-UHFFFAOYSA-N 360.345 1.113 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)COc1ccccc1Cl 6462595 OVZVUTXIDWASRH-UHFFFAOYSA-N 354.823 1.629 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 21053805 ZVLGDVDPWVDIRH-OKILXGFUSA-N 368.499 1.708 0 40 FDAB Nc1nc(CSc2nc3ncccn3n2)nc(Nc2ccccc2)n1 10074864 XFABYRHHMSXAGU-UHFFFAOYSA-N 351.399 1.927 0 40 FDAB CCCN1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CC1 102845107 MURHACRHKGGHOW-HOTGVXAUSA-N 353.894 1.922 0 40 FDAB CC(=O)c1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 32907372 AGTBDSCPTJIPRI-WMZOPIPTSA-N 361.442 1.748 0 40 FDAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccco1 58202810 VCGYUDBQNUNQQQ-HNNXBMFYSA-N 365.455 1.740 0 40 FDAB CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22618852 GYRVFMQXDRQEHN-TZMCWYRMSA-N 368.455 1.526 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2F)cc1 26105642 QPPZZJJGOOVJFI-UHFFFAOYSA-N 354.378 1.982 0 40 FDAB C[C@H]1CCc2c(sc3nnn(CC(=O)NCc4ccco4)c(=O)c23)C1 958779 QADMECDLWOUNDU-JTQLQIEISA-N 358.423 1.887 0 40 FDAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12409512 HWXZZRRUZCGHGC-CQSZACIVSA-N 366.215 1.830 0 40 FDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 1308193 AXCRNWLUWGWNQH-YMTOWFKASA-N 356.165 1.374 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420373 YENWSLMVIZNSGK-QCUYGVNKSA-N 360.410 1.138 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCc2cc(Cl)c3c(c2)OCO3)C1=O 24888182 GAQBUSGZRJFQQX-UHFFFAOYSA-N 354.746 1.442 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCn1nnc2ccccc2c1=O 24991393 IPZZZFLGVHYXKD-AWEZNQCLSA-N 352.398 1.109 0 40 FDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F)cc1OC 56345753 DIZFLZNMXJIYGF-VIFPVBQESA-N 363.336 1.570 0 40 FDAB C[C@@H](C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)n1cncn1 44579665 UCWVUDBGYKDLOG-AWEZNQCLSA-N 373.432 1.576 0 40 FDAB Cc1cc(OCC(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2099566 OXKAXBBLQVAISI-NSHDSACASA-N 359.378 1.948 0 40 FDAB biogenic Cc1cccc(C[S@@](=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 58183152 VKIUCCBDBKLIRB-SANMLTNESA-N 374.462 1.821 0 40 FDAB O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 58180481 OTSMSYMUYWCNOK-ZDUSSCGKSA-N 351.305 1.863 0 40 FDAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 58174923 ORYQQRPRHVYSGO-GOSISDBHSA-N 366.356 1.769 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1 3203076 YOEAZRJJDPUDPP-KBPBESRZSA-N 352.456 1.721 0 40 FDAB O=C(CN1CCCN(S(=O)(=O)c2cccs2)CC1)N1CCCC1 28038362 CXQKGNJNGWQWCV-UHFFFAOYSA-N 357.501 1.067 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cccs1 22023441 XLEXANOSINQXQE-SECBINFHSA-N 358.466 1.535 0 40 FDAB CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 24316196 CYWMUJHTJBBFST-UHFFFAOYSA-N 367.515 1.789 0 40 FDAB C[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024927 KXSALVHRLVXAQD-LRZJYZTRSA-N 361.829 1.879 0 40 FDAB NC(=O)c1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12869127 BJRPKMIJIBTVOZ-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2 68738536 FYDIJXQDNSXRSO-GFCCVEGCSA-N 362.426 1.720 0 40 FDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1 14129165 AKJSQOTZWBMONU-IBGZPJMESA-N 360.377 1.556 0 40 FDAB CC(=O)N1CCC(NC(=O)COc2ccc(Br)cc2)CC1 14185595 NKLPWMNYQFBWKO-UHFFFAOYSA-N 355.232 1.955 0 40 FDAB COCCCNS(=O)(=O)c1ccc(I)cc1 4539584 VDTIVCTUKJSFJA-UHFFFAOYSA-N 355.197 1.606 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(F)c(F)c1 4945312 GYVNEFYUEVRVMN-UHFFFAOYSA-N 372.397 1.134 0 40 FDAB Cn1nc(C(=O)Nc2ccccc2SCC(N)=O)c2ccccc2c1=O 7002600 JYDDKAFWOAGWOY-UHFFFAOYSA-N 368.418 1.763 0 40 FDAB COC(=O)CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9576546 CVKDGGIVYHANJX-UHFFFAOYSA-N 368.455 1.463 0 40 FDAB CC(C)NC(=O)CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 8937375 BQQZGRPVZMLPNV-UHFFFAOYSA-N 364.423 1.508 0 40 FDAB O=C(Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3)NCc1ccco1 8914650 MWOFPMMYBMFKGW-UHFFFAOYSA-N 359.407 1.540 0 40 FDAB NC(=O)Cn1cc2c(n1)[C@H](NC(=O)C1(c3ccccc3)CCC1)CCC2 96002886 ZRELSOJOYJHTTQ-MRXNPFEDSA-N 352.438 1.984 0 40 FDAB Cn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCS(=O)(=O)C1 9390286 FHTUKTKEALNJQA-GFCCVEGCSA-N 351.453 1.692 0 40 FDAB O=C(O)C[C@H]1CN(S(=O)(=O)c2ccccc2Br)CCO1 97696063 JGFADXRODQUCLZ-VIFPVBQESA-N 364.217 1.313 0 40 FDAB COCC[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(N)=O 95463323 QBXVFQWCEOCTMH-AWEZNQCLSA-N 350.346 1.618 0 40 FDAB C[C@@H]1CN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)CCO1 95468475 ZMONOYNKGCJNEW-QGZVFWFLSA-N 353.507 1.058 0 40 FDAB CN(CCNC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 25079463 ZAYSIKUSOPPFOR-UHFFFAOYSA-N 361.467 1.560 0 40 FDAB CC1CCC(NC(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 95947581 YTIACUMOXVKARV-MNAZLIDISA-N 351.491 1.393 0 40 FDAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(N)=O)n2C)C(C)C)cc1 409165747 BIKQSPKIYUDIDE-AWEZNQCLSA-N 361.471 1.828 0 40 FDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 408504528 VFNVPVCYHOTZMJ-BFHYXJOUSA-N 350.440 1.630 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1cnc(C2CC2)s1 1548453983 NTDPANJAGHKXAB-NSHDSACASA-N 353.425 1.390 0 40 FDAB Cn1cc(-c2ccccc2CNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cn1 551260225 YHHINTGVMWTFGM-KRWDZBQOSA-N 373.478 1.918 0 40 FDAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NC[C@H]1COCCO1 35315860 ONPJOFZCHWLNCB-AWEZNQCLSA-N 363.801 1.095 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)nc2n1 30030165 GFBFMGUVRDHYMO-INIZCTEOSA-N 350.426 1.870 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC3CC3)c12 30057352 LTSDVDPZKLEVEU-ZDUSSCGKSA-N 374.466 1.869 0 40 FDAB O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218505060 NQRJUERJIVZLHG-YQQAZPJKSA-N 350.367 1.829 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)c2ccnn2C)c1 574804260 WASPCYXDEAXEIS-AWEZNQCLSA-N 351.384 1.117 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@H](C)C2)c1 46958755 OGHGBCQVMZKQML-AWEZNQCLSA-N 353.488 1.447 0 40 FDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 229951007 RBTFBWBCHDXHKV-CABCVRRESA-N 354.472 1.547 0 40 FDAB CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 222606320 APCQKCLBXYSOQR-MRXNPFEDSA-N 368.499 1.806 0 40 FDAB CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 514290279 WCECJHBNPNJKII-RTBURBONSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro Cc1nnc(N2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)s1 96039786 LQBOZBHCSOICDP-CZUORRHYSA-N 354.476 1.327 0 40 FDAB O=C(N[C@@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1cnccn1 96079880 ILSKNXUVXHVMNI-MRXNPFEDSA-N 368.437 1.557 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95478810 CDYPCIZADPSDTP-NSHDSACASA-N 353.357 1.766 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96038954 GBWKDVDHNIISFM-DJIMGWMZSA-N 353.426 1.514 0 40 FDAB COCCN(C)C(=O)c1ccc2nnc3nc(C)n(CCOC)c3c2c1 96146605 MKUZYCVLVGLNKX-UHFFFAOYSA-N 357.414 1.653 0 40 FDAB COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3ccoc3C)C2)c(=O)c1 583620143 GKCMSUVRRFWLHY-OAHLLOKOSA-N 374.441 1.705 0 40 FDAB Cc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)no1 247954577 CNYDDPRDKFIYLO-INIZCTEOSA-N 365.474 1.849 0 40 FDAB Nn1c(COC(=O)c2ccccc2)nnc1COC(=O)c1ccccc1 255187067 BCFKYMFSLGRZLD-UHFFFAOYSA-N 352.350 1.706 0 40 FDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)Cc1nonc1C 257322129 WERPTIVCYHVALA-OAHLLOKOSA-N 358.402 1.019 0 40 FDAB Cn1cncc1-c1cncc(CC2CCN(C(=O)c3cncnc3)CC2)n1 257261106 LFTCSWIZIDVWEJ-UHFFFAOYSA-N 363.425 1.762 0 40 FDAB CN(C)C(=O)Cn1cnc(NC(=O)NCC2CCc3ccccc3CC2)n1 528997093 SSYBJGGDMYHOOU-UHFFFAOYSA-N 370.457 1.683 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 257284923 PEWSETDVFHZVEI-SUMWQHHRSA-N 362.393 1.281 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3noc4c3CCCC4)C2)ncn1 257222298 DSTLKPFLVPZHBB-AWEZNQCLSA-N 356.426 1.983 0 40 FDAB O=C(NCCCn1ncccc1=O)c1cc(OCc2ccccc2)no1 90726745 HAVOIFPIRIJRNP-UHFFFAOYSA-N 354.366 1.630 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)NCc3nc4ccccc4n3C)CCN2C)n1 284777544 LGTBFQROPKATEZ-HNNXBMFYSA-N 369.429 1.463 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1CC(=O)N(C)Cc1ccccc1F 643826841 WLSVIDCYZIJRFU-SFHVURJKSA-N 351.422 1.011 0 40 FDAB O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)c1ccc(OCC(F)(F)F)cc1 643856139 VIONZWXBSKOQFX-NSHDSACASA-N 370.287 1.328 0 40 FDAB O=C1CC[C@H](c2ccc(C(=O)N3CCC(c4nnc(O)o4)CC3)cc2)N1 1140582745 XRQHANLXRIFZNY-CQSZACIVSA-N 356.382 1.746 0 40 FDAB CCNC(=O)c1ccc(N2C[C@H](OC)C[C@H]2COc2cccnc2)nc1 1775956991 NMTZJBRFPYRKGX-DOTOQJQBSA-N 356.426 1.899 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2cccs2)n1 96103892 DBHPRNGWBWTEHK-UHFFFAOYSA-N 365.484 1.940 0 40 FDAB CN1CCC(N2CC[C@@H](NC(=O)N3CC(=O)Nc4ccccc4C3)C2)CC1 654447499 YCJVMECDTOYHLI-MRXNPFEDSA-N 371.485 1.319 0 40 FDAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2c(C(C)C)noc2C)CCO1 585279683 XFVNCAUUGSDPFQ-KRWDZBQOSA-N 353.419 1.100 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 52135305 YIXUCVUNJFAAIB-LLVKDONJSA-N 372.516 1.767 0 40 FDAB COc1ccccc1CCNC(=O)C[C@@H]1CSc2nc(C)cc(=O)n21 11025855 VEMJFSHHTWWZPL-CQSZACIVSA-N 359.451 1.956 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12239202 YHOSSHUEJNEGOZ-AWEZNQCLSA-N 356.879 1.963 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C(N)=O)cc2C[C@H]1C 12968625 LMIOLDMHTAEMNI-LLVKDONJSA-N 374.418 1.851 0 40 FDAB Cc1c(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)no2)cnn1C 19554143 KHMWURQQVRDWLW-UHFFFAOYSA-N 367.365 1.991 0 40 FDAB Cc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncc1C(N)=O 19766604 CLMZJPIBKDHMRB-UHFFFAOYSA-N 356.401 1.972 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 207292000 ZEILULIBKPSTCY-LUVWLHFXSA-N 368.389 1.284 0 40 FDAB CN([C@H]1CCN(c2ncc(Br)cn2)C1)S(=O)(=O)C1CC1 1888844639 UPUDTIVFIUTTHJ-JTQLQIEISA-N 361.265 1.242 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2Cc2ccccc2)CC1 22025337 WJTZXBVMJUUOQI-AWEZNQCLSA-N 360.487 1.366 0 40 FDAB Cc1cncc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)n1 2037978362 RVEKPOWLWGCXBO-QAPCUYQASA-N 366.421 1.679 0 40 FDAB CN1CCN(c2ncnc3[nH]cnc23)C[C@@H](COCc2ccccc2)C1 2037843796 JWYYEDRRFOIGCX-INIZCTEOSA-N 352.442 1.938 0 40 FDAB Cc1nc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@H]3COc2cccnc2)cs1 1565542864 YSRDZAMUAJKRTR-SCLBCKFNSA-N 372.450 1.504 0 40 FDAB COCCO[C@H]1CCN(C(=O)CCc2cncnc2)[C@H]1Cc1cccnc1 1565549007 LEPQYNDCGMRUOA-OALUTQOASA-N 370.453 1.679 0 40 FDAB CCOC(=O)N1CCN(C(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1 4062435 OZZGPXKVDLJTGD-UHFFFAOYSA-N 357.410 1.970 0 40 FDAB CC(C)C[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 4581115 ACFSALJTHZUQDJ-IOFRSVQKSA-N 369.465 1.886 0 40 FDAB CCOC(=O)c1c(SCC(=O)Nc2nnc(C)s2)nc(=O)[nH]c1C 10213752 UZPWFCPGKJUNIC-UHFFFAOYSA-N 369.428 1.146 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 11795971 JJAAPTGWUSJNHS-LBPRGKRZSA-N 355.441 1.352 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)CC(NC(=O)c2cccnc2)C3)on1 2055844903 RXWATKVGJZAWBP-UHFFFAOYSA-N 370.409 1.893 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NCc1cnn2ccccc12 75162969 LAVFXHMVHJKGIU-UHFFFAOYSA-N 351.409 1.661 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccc(F)cc1F 30586115 TVZLEYXFFGFGKT-JTQLQIEISA-N 359.332 1.845 0 40 FDAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)CN1CCOCC1 28689984 KDNBWRDEKJEYAY-OAHLLOKOSA-N 371.462 1.818 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 6679415 HYTFMCRJMFNBFU-UHFFFAOYSA-N 371.462 1.992 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2)cc1OC 7918448 IUOCCXZNDHXVDW-UHFFFAOYSA-N 364.423 1.299 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 32814363 FJPKOZXGNJWBMD-UHFFFAOYSA-N 357.391 1.986 0 40 FDAB O=C(Cc1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983314 UPRSKOFSFKMNFX-QGZVFWFLSA-N 372.446 1.801 0 40 FDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420264 YEZNKYFKDZHBMC-QCUYGVNKSA-N 360.410 1.370 0 40 FDAB NC(=O)C1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 22407308 WZEAUDTXAVPPMR-UHFFFAOYSA-N 354.332 1.779 0 40 FDAB Cc1cc(Br)c(S(=O)(=O)N(CCO)CCO)cc1Cl 54363135 HNYZWKAPBQGOGL-UHFFFAOYSA-N 372.668 1.386 0 40 FDAB Cc1cc(NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)no1 53814708 OHCWTWRWCRNKOK-WCQYABFASA-N 365.434 1.258 0 40 FDAB CCCCn1nc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O 23101274 OBIAKXJZUBWJHD-UHFFFAOYSA-N 355.442 1.969 0 40 FDAB CN(CCCC(=O)NCC[C@H]1CCCO1)S(=O)(=O)c1cccs1 23189908 XQHPDMBUGSSNNC-CYBMUJFWSA-N 360.501 1.834 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)c1ncccc1F 89651137 BKVYNZQDQZTACV-UHFFFAOYSA-N 358.416 1.758 0 40 FDAB Cc1cc(O)n2nc(C3CCN(C(=O)CCCn4cncn4)CC3)cc2n1 100137504 VLPOXQICAMNNGH-UHFFFAOYSA-N 369.429 1.521 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 24888271 LQCBYKYTINXYNM-UHFFFAOYSA-N 361.379 1.641 0 40 FDAB COc1cc(CC(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC 26151879 YUNOTPBNLYENRH-UHFFFAOYSA-N 365.411 1.378 0 40 FDAB CCCCNC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520107 GQXHQYYVWCSOIR-UHFFFAOYSA-N 374.470 1.563 0 40 FDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 109034644 CLIBGOIZKNEGFD-RPLLJCPNSA-N 353.422 1.807 0 40 FDAB CCOc1ncccc1NC(=O)N(C)C[C@@H](O)COCCOC(C)C 58018146 VVVZISMITSAPHA-CQSZACIVSA-N 355.435 1.747 0 40 FDAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 10044401 LXUSLZLJBYFBJT-UHFFFAOYSA-N 370.855 1.181 0 40 FDAB Cc1cc(S(=O)(=O)NCC(=O)OCC2CC2)ccc1Br 58265468 LDBJITKRKXYJAV-UHFFFAOYSA-N 362.245 1.989 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)Nn1cnc2ccccc2c1=O 12885159 BFQUHQVTNGDYGR-UHFFFAOYSA-N 369.406 1.293 0 40 FDAB COc1ccc(-c2nnc3s/c(=C\c4ccco4)c(=O)n23)cc1OC 3641674 STWBEWXQNIREED-ZROIWOOFSA-N 355.375 1.976 0 40 FDAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccc(Cl)cc2)N1CCO 13721040 ASYXQBYECQUGTH-RDJZCZTQSA-N 367.854 1.981 0 40 FDAB CN(C(=O)COC(=O)c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 4332335 AWPJOFHOZBPHEN-LBPRGKRZSA-N 351.380 1.235 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 14108905 VKDGOTHAAONEJJ-HNNXBMFYSA-N 373.482 1.888 0 40 FDAB CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 14184046 OGICNLWFNSUGPU-NSHDSACASA-N 372.830 1.284 0 40 FDAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)O 408708117 GVHSTRGCCYAGBB-CQSZACIVSA-N 369.421 1.361 0 40 FDAB CNS(=O)(=O)c1cc(NC(=O)CCNC(=O)c2ccco2)ccc1C 8132904 UQMKKDXNYHSAJG-UHFFFAOYSA-N 365.411 1.255 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1C 9306650 HAQCKEXEZKQNGS-JTQLQIEISA-N 355.441 1.964 0 40 FDAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1O 72313019 MXFMIKUVEMJZKX-UHFFFAOYSA-N 374.378 1.687 0 40 FDAB Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCc1ccncc1)C(=O)N2C(C)C 95346297 ISDZVRVKRHRSAL-KRWDZBQOSA-N 366.421 1.619 0 40 FDAB Cc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 95998943 RMUKBABYCZGWNI-MRXNPFEDSA-N 352.456 1.262 0 40 FDAB C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@@H](C)O1 95962845 SKOBHDUIYXYVCK-TXEJJXNPSA-N 355.385 1.616 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(OCC(N)=O)c3)C2=O)o1 60349899 FUQKSHKVBMIWNG-SFHVURJKSA-N 357.366 1.419 0 40 FDAB CN(C1Cc2ccccc2C1)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 511910861 XVFRWWOBBYMTFE-UHFFFAOYSA-N 371.418 1.829 0 40 FDAB COc1ccc2c(c1)CC[C@H](C(=O)N1C[C@H]3OCCN(C(C)=O)[C@@H]3C1)C2 1552892649 KRCNWWJHDZNREB-QXAKKESOSA-N 358.438 1.258 0 40 FDAB CCOC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 528017251 ATAHZVNLDOZULO-WBVHZDCISA-N 351.422 1.851 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218108044 MHMRORRQEJMFBI-ROUUACIJSA-N 360.479 1.847 0 40 FDAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCn2c(nnc2[C@@H]2CCCN2)C1 72373950 BLXLHXDEZIYDKR-ZDUSSCGKSA-N 354.389 1.979 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@@]12CCOC2 565459046 CROOJQDAHONTDJ-IUODEOHRSA-N 361.366 1.218 0 40 FDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2cc(NC3CC3)ncn2)CC1 562721086 ALQAGVAHPVQHOA-CQSZACIVSA-N 358.490 1.620 0 40 FDAB COCCNC(=O)c1ncn2c(C3CCN(C(=O)C4CC4)CC3)ccnc12 96267232 XIOUEPLWVFWVPU-UHFFFAOYSA-N 371.441 1.222 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)o1 96240958 XAGVBSQJRDGZFL-HNNXBMFYSA-N 362.426 1.316 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(CC3CCOCC3)C[C@H]2O1)NCc1cccnc1 96206056 UQKLAASUPMWARD-IPMKNSEASA-N 359.470 1.604 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@]1(CO)COc2ccccc2C1 529819222 ICSKALMTXJJWPO-GMVOTWDCSA-N 355.390 1.697 0 40 FDAB COc1ccc(CC(=O)N2CCN(Cc3cnoc3C)CC2)cc1OC 98211252 ZFQODSDIBCJYGH-UHFFFAOYSA-N 359.426 1.887 0 40 FDAB COc1ccc(C[C@H]2CN(C(=O)CS(C)(=O)=O)CC[C@H]2OC)cc1 96110278 JGUZMABQLZYGTE-GOEBONIOSA-N 355.456 1.146 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)Cc3ccsc3)CC2)C[C@H]1C(=O)O 96157055 JNQBHZWCSVXSNW-AWEZNQCLSA-N 350.440 1.605 0 40 FDAB CN1CCN(C[C@H]2CO[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)CC1 96228460 BLKRFBJFMNTCBA-FXAWDEMLSA-N 358.486 1.340 0 40 FDAB COCCC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244307 BYFMWTKTFFGLNF-IBGZPJMESA-N 354.410 1.575 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2cccc(OC)c2)Cc2ccnn2C1 247875727 GUXXJUOEKHIFJZ-INIZCTEOSA-N 358.442 1.286 0 40 FDAB COCc1cccc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)c1 257238320 HKLADESNHNTEGW-LJQANCHMSA-N 356.426 1.384 0 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1.620 0 40 FDAB CNS(=O)(=O)c1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 31748377 HMULFUWLYSYYGR-GFCCVEGCSA-N 351.255 1.795 0 40 FDAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 4968875 KCYBYOXQZGOUQP-UHFFFAOYSA-N 368.415 1.627 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6399603 BEFORCFFPINKCM-WVWOOGAGSA-N 362.430 1.728 0 40 FDAB Cn1c(SCC(=O)Nc2ncccn2)nnc1-c1ccc2c(c1)OCO2 11666899 JBACRRWVHLGDBC-UHFFFAOYSA-N 370.394 1.732 0 40 FDAB Cc1c(NC(=O)[C@H](C)Sc2n[nH]c(N)n2)c(=O)n(-c2ccccc2)n1C 8490497 XEXLSHCDNWFYHN-JTQLQIEISA-N 373.442 1.304 0 40 FDAB O=C(NCC(=O)N1CCCC1)c1ccccc1I 21004020 SFEYOHXCHSCWAF-UHFFFAOYSA-N 358.179 1.643 0 40 FDAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O 1748775 LEKPYENKNYAOTB-AWEZNQCLSA-N 361.398 1.805 0 40 FDAB Cc1ccc(NC(=O)COC(=O)C2CCC2)cc1S(=O)(=O)N(C)C 10808613 BTULGULGJXBSQZ-UHFFFAOYSA-N 354.428 1.527 0 40 FDAB Cc1nc(CN2CCN(CN3C(=O)C(=O)c4ccccc43)CC2)cs1 32771185 YOZBJJJHWMOOCC-UHFFFAOYSA-N 356.451 1.756 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1 9288570 UBFPANHYVGUYIX-UONOGXRCSA-N 350.440 1.795 0 40 FDAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)CC1 11950210 CJQFSRNKMGOGQA-UHFFFAOYSA-N 356.426 1.790 0 40 FDAB CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc(Br)s1 12193447 UTFBGAXHYSUXIQ-UHFFFAOYSA-N 354.247 1.837 0 40 FDAB C[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 46951103 XUYKHSZGJCPFLR-DZGCQCFKSA-N 356.513 1.548 0 40 FDAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCCCN1CCOCC1 27936933 FOWNPLYKPISPFM-UHFFFAOYSA-N 360.380 1.618 0 40 FDAB CC(=O)N1CCN(c2ccccc2CNCCC(=O)N2CCCC2)CC1 75110437 FPNFHXMPBKGTJI-UHFFFAOYSA-N 358.486 1.457 0 40 FDAB CC(=O)[C@@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 863360 JLSBKIJRCKGEJG-GFCCVEGCSA-N 372.450 1.552 0 40 FDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 891964 FRJYUVCDLWUOFV-UHFFFAOYSA-N 355.442 1.637 0 40 FDAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 105675798 AHRJELFYHLYFOW-WBVHZDCISA-N 350.484 1.641 0 40 FDAB 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2240969 RDDQLSZVHFIHPJ-UHFFFAOYSA-N 362.363 1.939 0 40 FDAB CN(Cc1ccccc1NC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCCC1 36395488 BVLXQXNRLXZLEC-UHFFFAOYSA-N 370.453 1.940 0 40 FDAB Cc1cccc(OC[C@@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 58626358 VPVXJHKIIPBYKF-HNNXBMFYSA-N 353.382 1.187 0 40 FDAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCc3ccccc3C2)cc1 12768557 LIHALFBCBZQJFK-UHFFFAOYSA-N 367.449 1.962 0 40 FDAB CC1(C)Oc2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2O1 49307043 NHKQFABTMLZHSX-LBPRGKRZSA-N 354.428 1.947 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 6365410 MLCFMPLFZZWVGO-UHFFFAOYSA-N 355.412 1.422 0 40 FDAB CCOC(=O)CCCNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14170332 CZFALVVMAHWMIQ-CYBMUJFWSA-N 361.398 1.303 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 14136488 SWKDILQNBJFGGS-KRWDZBQOSA-N 353.369 1.894 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H]([C@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 4649455 OJTAKJORQOHLEH-DMRZNYOFSA-N 371.393 1.949 0 40 FDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)NCc1ccccc1 409219110 NIVFIZNCRAAZHO-UHFFFAOYSA-N 364.357 1.589 0 40 FDAB Cc1nn(CC(=O)NCc2ccccc2)c(C)c1S(=O)(=O)N(C)C 6604985 FTPKUJHFLSOEIH-UHFFFAOYSA-N 350.444 1.067 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccnc2)cc1C 4935369 OYAQKMORIMBHGZ-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)noc1C 7214973 IHUNUQZJGFBAAD-UHFFFAOYSA-N 369.418 1.758 0 40 FDAB NC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842604 NSPRDRGYGIVROY-UHFFFAOYSA-N 373.390 1.104 0 40 FDAB Cc1cc(N)nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 18338139 CENZUFNICSFOBO-UHFFFAOYSA-N 357.439 1.990 0 40 FDAB CCc1ccc2c(COC(=O)CC[C@H]3NC(=O)NC3=O)cc(=O)oc2c1 19001582 QQADIBRXYGHMMO-CYBMUJFWSA-N 358.350 1.387 0 40 FDAB COc1cccc(CCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 71768175 ULHXFVVRJMTGHP-UHFFFAOYSA-N 373.497 1.960 0 40 FDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 89683930 LBKFNHYWAMMJQF-STQMWFEESA-N 355.402 1.820 0 40 FDAB Cc1nc(N(C)C)nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 89718038 MKVNJBTVYFZKTO-UHFFFAOYSA-N 352.446 1.445 0 40 FDAB CC(C)Cc1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n[nH]1 72325350 BZUOFTJRONLGMS-GFCCVEGCSA-N 356.386 1.083 0 40 FDAB biogenic CC[C@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 97497948 SVQJCHUXZVFLKK-GOSISDBHSA-N 358.486 1.644 0 40 FDAB O=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1ccc(F)c(F)c1F 79483307 LRCPJRBBKCOYPE-UHFFFAOYSA-N 374.282 1.495 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1 20245004 ACIYCQMCWZCQFR-UHFFFAOYSA-N 357.451 1.887 0 40 FDAB CCCCCn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 20354916 WNHPOKBUEUFWJX-STQMWFEESA-N 363.462 1.223 0 40 FDAB c1cc2n(n1)C[C@@H](CCN1CCCCC1)CN(c1ccc3nncn3n1)C2 306133876 MYJNFQMRMCPMCI-INIZCTEOSA-N 366.473 1.833 0 40 FDAB CN(C)C(=O)NCC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 306123478 AOLBEGWOGRIWSF-HNNXBMFYSA-N 371.441 1.830 0 40 FDAB CCc1nc(-c2cncnc2[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)no1 72356097 ALSKLCNGIHLAOY-LLVKDONJSA-N 366.447 1.075 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCc4c3cnn4C)ccc21 31594630 PBUWGUGBAWWKNE-CYBMUJFWSA-N 367.409 1.251 0 40 FDAB O=C1CCCC(=O)N1CCS(=O)(=O)NCC1(c2cccs2)CC1 38593108 CERLJCVIZMANJK-UHFFFAOYSA-N 356.469 1.238 0 40 FDAB O=C(c1cccs1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341950 ONCSAWDCCFUOEQ-CQSZACIVSA-N 355.423 1.968 0 40 FDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccc(Cl)cc1)S(C)(=O)=O 37062874 MDFJVQNABQCNGW-BXUZGUMPSA-N 360.863 1.790 0 40 FDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)C2C(C)(C)C2(C)C)cc1 184173171 ODKGMHRHUJYKSL-UHFFFAOYSA-N 352.456 1.876 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(F)cc(Cl)c1 566831837 WEGHZGGLRFAQPX-UFBFGSQYSA-N 351.783 1.637 0 40 FDAB COc1ccccc1OCCNS(=O)(=O)c1cnc(NC(C)=O)s1 226794959 FLTXCVDNYUWRQZ-UHFFFAOYSA-N 371.440 1.467 0 40 FDAB COc1cccc(CN(C)C(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 45330093 IZPYMYBSQFFCQE-UHFFFAOYSA-N 373.434 1.392 0 40 FDAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163082 IBSILCDZLMVBSB-UHFFFAOYSA-N 359.773 1.880 0 40 FDAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)cs1 227168594 KJRKNSDQFMQZNC-UHFFFAOYSA-N 353.425 1.285 0 40 FDAB CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1NC(C)=O 224357291 DDNJATSUWOAISY-UHFFFAOYSA-N 357.501 1.739 0 40 FDAB NC(=O)[C@]1(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CCOC1 576002233 SWGWPYKKEAJWAI-HNNXBMFYSA-N 368.315 1.265 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccc(F)cc2)C[C@]2(CNC(=O)C2)C1 96035999 JGYHBNYDFVUIND-IBGZPJMESA-N 362.449 1.568 0 40 FDAB CCN1C[C@H]2CCN(C(=O)Nc3cccc(OC)c3)CC[C@H]2S1(=O)=O 96263747 VXPCNYYXIHOYTR-CZUORRHYSA-N 367.471 1.973 0 40 FDAB Cc1cccc(CN2CC[C@]3(C2)C(=O)NC[C@H]3COc2cccnc2)n1 96218730 RUPQPMQYDGHDGQ-OXJNMPFZSA-N 352.438 1.802 0 40 FDAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96243637 HQKOTHARTDUUOT-INIZCTEOSA-N 358.442 1.891 0 40 FDAB CCCOCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 95116345 XMQVKHBPZOJUNA-UHFFFAOYSA-N 374.422 1.742 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4nccn4C)C3)C2)nn1 96240550 MBWJGWXWYYFDAS-VQIMIIECSA-N 372.473 1.238 0 40 FDAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 96183054 VLWXJJDSURRBET-UHFFFAOYSA-N 365.499 1.657 0 40 FDAB COc1cc(N2C[C@@H]3COC[C@]3(CC(=O)NCc3ccco3)C2)ncn1 96207438 YIYXZZQTNORUDJ-ACJLOTCBSA-N 358.398 1.238 0 40 FDAB COc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)cc1 96052220 ZAYLLFFWPOXOKT-IBGZPJMESA-N 374.481 1.783 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247832945 MFVCLEAAAPDCJE-OAHLLOKOSA-N 356.426 1.917 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NC[C@]1(O)CCN(c2cnccn2)C1 257319833 VUFQKAOFKUTXTA-GOSISDBHSA-N 358.446 1.188 0 40 FDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)c1 257289150 PXEBTMRFIVRATI-INIZCTEOSA-N 352.398 1.688 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)CC1 257253971 KBBCDKKFCJWYTH-HNNXBMFYSA-N 359.474 1.489 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@@H](C[C@@H](C)C(=O)O)C2)c1 585091628 WUAKKBUEAFKKLR-OLZOCXBDSA-N 368.455 1.605 0 40 FDAB CNC(=O)c1sc2nccnc2c1C1CCN(S(C)(=O)=O)CC1 257218827 DENSGUWFVNDYBQ-UHFFFAOYSA-N 354.457 1.190 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1F 250337236 AINDASDUSSAWRM-YDHLFZDLSA-N 369.462 1.743 0 40 FDAB CC(F)(F)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 277306460 WDTPDEVDYGYGDJ-UHFFFAOYSA-N 355.389 1.007 0 40 FDAB CC(=O)N1CC(C(=O)N2CCC(C3(NC(=O)c4ccccn4)CC3)CC2)C1 1775993074 XTQOPHQMMJDGOO-UHFFFAOYSA-N 370.453 1.061 0 40 FDAB Cc1cnn([C@H]2CCN(C(=O)NCCn3c(=O)[nH]c4ccccc43)C2)c1 290925725 FTYRQCXCBSHOPJ-AWEZNQCLSA-N 354.414 1.491 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4c(c3)C(=O)NCC4)cc21 96025947 MDHIUHMJZVRJJG-UHFFFAOYSA-N 373.390 1.218 0 40 FDAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 575405069 RHLRUJLLDBDLBP-ZWKOTPCHSA-N 359.470 1.558 0 40 FDAB O=C([C@@H]1CCOC1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111074 CECIAARWMXCKLR-LLVKDONJSA-N 351.357 1.563 0 40 FDAB O=C(CCc1cccnc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585275981 CGMFXLKIPWLNCH-FQEVSTJZSA-N 358.413 1.986 0 40 FDAB O=C(CCCc1c(F)cccc1F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941886 KDVCEQNYMJLIGZ-JKSUJKDBSA-N 351.353 1.973 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(C(=O)OC)c(C)o1)n2C 48876118 SFRYHWHWYDEINW-UHFFFAOYSA-N 360.370 1.578 0 40 FDAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 12183282 WFECMBHPUQSRGD-GFCCVEGCSA-N 364.409 1.440 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)C[C@@H](C)n1ccnc1)CC3 12221534 UIHBHDLKADZWJI-GFCCVEGCSA-N 371.466 1.999 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc(C(=O)OC)cc3)ncnc21 13532177 GGNXRLGISREBEY-UHFFFAOYSA-N 372.410 1.759 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 16635755 FHCAACGCXIJZBD-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB Cc1cccc(OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 17135459 JBORRUSMNWJSDL-CQSZACIVSA-N 363.439 1.877 0 40 FDAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)N1CCCC1 19374486 GMNGMPQUDOCTQX-UHFFFAOYSA-N 364.409 1.497 0 40 FDAB COc1cc2cc(C(=O)NC[C@@H](C)N3CCOCC3)n(C)c2cc1OC 19456494 BYUNNVCBFIFPDH-CYBMUJFWSA-N 361.442 1.646 0 40 FDAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCCN4C)n3CC2)o1 19706315 KVSGGCKFAIJLMT-AWEZNQCLSA-N 358.446 1.738 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ncc(C(C)(C)C)o1)CC2 152874184 NKVSMSKVNYMFTH-NSHDSACASA-N 362.434 1.524 0 40 FDAB O=C(CN1CCCS1(=O)=O)Nc1ccnn1-c1cccc(Cl)c1 103034198 CVYJAJHMWQOSAT-UHFFFAOYSA-N 354.819 1.500 0 40 FDAB Cc1ncn(CC(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(=O)c1C 220753119 KJSVUGXEMMKPJL-AWEZNQCLSA-N 371.441 1.602 0 40 FDAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC[C@H](N2CCCC2)CC1 654638983 MMHWNGNIPJOLNW-LSDHHAIUSA-N 362.478 1.816 0 40 FDAB N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 16900022 KNEYGOJFOKQPQX-WCBMZHEXSA-N 363.222 1.770 0 40 FDAB COc1ncc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)cn1 575608446 SQZFFIFTVSPEJB-VIFPVBQESA-N 356.308 1.131 0 40 FDAB c1ccc2nc(N3CCN(c4cc(-n5cccn5)ncn4)CC3)cnc2c1 1889223278 QXASWISANLPJQU-UHFFFAOYSA-N 358.409 1.932 0 40 FDAB CO[C@]1(COc2ccccc2)CCCN(C(=O)Cn2nc(C)ccc2=O)C1 2037915991 FTIAWOLDXXWNIR-HXUWFJFHSA-N 371.437 1.638 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(F)c1 9571231 OHBFYXYKVOXEEI-UHFFFAOYSA-N 369.328 1.558 0 40 FDAB COc1cccc(CN2CCCn3nnc(COCCN(C)C)c3C2)c1 2055718422 ZJXSCCYXEAUUKR-UHFFFAOYSA-N 359.474 1.771 0 40 FDAB O=C(N[C@@H](NCCN1CCOCC1)C(=O)c1ccccc1)c1cccs1 22860235 BWIKZHKOYAUENE-GOSISDBHSA-N 373.478 1.609 0 40 FDAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1cccnc1)c1ccccc1 217981171 OUYNXMDJOXZAMF-AWEZNQCLSA-N 361.379 1.080 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38946845 ROOARJKDDAWADH-JKSUJKDBSA-N 368.437 1.517 0 40 FDAB CC(C)(C)c1ccc(=O)n(CC2CCN(CCN3CCOCC3)CC2)n1 585499866 POEVYHCEVCGJDP-UHFFFAOYSA-N 362.518 1.585 0 40 FDAB Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C 19557123 GIKPCHVDELTTLP-SFHVURJKSA-N 368.485 1.998 0 40 FDAB O=C(c1nnn(-c2ccc(Cl)cc2)n1)N(CCO)Cc1ccccc1 75163615 MNQMEEOEWOAYMI-UHFFFAOYSA-N 357.801 1.950 0 40 FDAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1324797 MCSIIFVISAGUFS-HNNXBMFYSA-N 364.423 1.667 0 40 FDAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646882 FMQXWRIEQOZIQH-RJEFMMBLSA-N 359.378 1.765 0 40 FDAB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccccc2)[C@@H]1OC(C)=O 4023394 XDSMSDIUHZDZLQ-TWMKSMIVSA-N 352.339 1.217 0 40 FDAB biogenic COCCNC(=S)N(CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4131917 LPKJORAZTDDEJE-UHFFFAOYSA-N 363.483 1.460 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc(C(=O)OC)c1 4628713 CZQZRGWTZWIFML-MMDVMMEASA-N 373.361 1.721 0 40 FDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 6582054 JTOFGMGPWQTUGY-UHFFFAOYSA-N 367.409 1.927 0 40 FDAB COc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 7939731 YFYSRGVMOTYFJH-UHFFFAOYSA-N 360.366 1.867 0 40 FDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3cn(C)nc3C)=NO[C@H]2C1=O 101494322 QWJNWUDAYXXSQH-DZGCQCFKSA-N 358.785 1.983 0 40 FDAB O=C1O[C@H](C(=O)N2CCN(C(=O)C3CCCC3)CC2)Cc2ccccc21 29326430 HJBSKKFMWGTRKW-KRWDZBQOSA-N 356.422 1.629 0 40 FDAB Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(N)n2)c(=O)n(-c2ccccc2)n1C 8490496 XEXLSHCDNWFYHN-SNVBAGLBSA-N 373.442 1.304 0 40 FDAB C[C@H]1CN([C@@H](CNS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 46035984 JVIMGSUUWXJPOC-GWCFXTLKSA-N 350.843 1.790 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C(N)=O)C1 41132594 CECSEIBMABSNSX-UKRRQHHQSA-N 359.426 1.024 0 40 FDAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(NS(C)(=O)=O)CC1 32865294 XQTXUTJODUOROH-KGLIPLIRSA-N 365.499 1.366 0 40 FDAB COCCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C 32831058 IKUSRGZCSMYANV-UHFFFAOYSA-N 364.423 1.920 0 40 FDAB CN(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 60392273 WSRZESRIOAKHDP-KRWDZBQOSA-N 350.422 1.966 0 40 FDAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 32906042 LLFBPKFSPKWOHG-LBPRGKRZSA-N 368.434 1.839 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3nccs3)CC2)cc1 54620991 IKZKZJKENDLBBQ-AWEZNQCLSA-N 360.483 1.979 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)O1 24668964 YFHMNEVSOBRZRT-RBSFLKMASA-N 365.499 1.530 0 40 FDAB CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Br)cc1 1402844 BLWMWNJHCKFFIB-UHFFFAOYSA-N 362.230 1.493 0 40 FDAB CCS(=O)(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 56198733 OKDPLDOFGZHLOB-NSHDSACASA-N 370.475 1.873 0 40 FDAB COc1ccccc1CSc1nnc(Nc2nccs2)c(=O)n1N 28536419 QCACUIOPAOJYLK-UHFFFAOYSA-N 362.440 1.853 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118933017 FFPUNPBUZDTHJI-GMTQZSKHSA-N 368.514 1.445 0 40 FDAB Cn1c(=O)n(CC(=O)NCc2nc(-c3cccs3)no2)c2ccccc21 58193317 RGNGCMZXFIKMLD-UHFFFAOYSA-N 369.406 1.768 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(CN2CCOC2=O)c1 58166747 IIDCLSJOFHLYJQ-ZDUSSCGKSA-N 360.414 1.771 0 40 FDAB Cc1cc([C@]2(C)NC(=O)N(Cc3nnnn3-c3ccccc3)C2=O)c(C)o1 58179892 HHFLAUSGICGZPA-SFHVURJKSA-N 366.381 1.839 0 40 FDAB Nc1nccnc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10139049 VQJVJOCJTRVPAE-UHFFFAOYSA-N 369.381 1.278 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nnnn3-c3ccccc3)C2=O)o1 58203002 ZJBXRMVIUMCXEM-QGZVFWFLSA-N 352.354 1.531 0 40 FDAB COc1ccc(N(C)C(=O)CCn2nnc3ccccc3c2=O)cc1OC 58246623 MDUGGPMYPXZKNG-UHFFFAOYSA-N 368.393 1.862 0 40 FDAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(=O)[nH]c(O)n1 12658263 PIKZNSMAQCVGNV-MDZLAQPJSA-N 352.387 1.636 0 40 FDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CCCO1 48169642 XJSMQULEGSCMTR-IUCAKERBSA-N 361.261 1.924 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1C 3382761 QSSLHMRHZYSCPN-UHFFFAOYSA-N 357.414 1.561 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)Cn2nc3ccccn3c2=O)c1 48273578 XDBPJVHXMLLUAI-UHFFFAOYSA-N 353.426 1.264 0 40 FDAB CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 48409434 YDZOYADRBOVBJU-UHFFFAOYSA-N 374.484 1.495 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5022383 ZYVGYLKAGSKGJY-MRXNPFEDSA-N 363.757 1.123 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2O)CC1)NCc1ccccc1 14086028 FFRZOIHBWQULDR-UHFFFAOYSA-N 353.422 1.466 0 40 FDAB CN(C)c1cccc2c(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)O)cccc12 38636061 KPMHEEJRFWEAKY-ABAIWWIYSA-N 364.423 1.114 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4731928 ACCCDVODAGKDFS-LBPRGKRZSA-N 353.378 1.786 0 40 FDAB O=C(COC(=O)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 5636182 QRQSGWRFNJGXAI-UHFFFAOYSA-N 351.384 1.191 0 40 FDAB O=C(c1ccon1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 66857824 NVMTYEZXUKOYJL-UHFFFAOYSA-N 354.410 1.412 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 5850451 HXTSOTCBKQPZRP-BBRMVZONSA-N 362.426 1.663 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCOC[C@@H]32)C1=O 4915642 LNLZMBILLKLZSQ-CYBMUJFWSA-N 363.801 1.138 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)cc1 6981590 IDPWXOMHSROYAF-UHFFFAOYSA-N 357.454 1.796 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1 7227514 WTVRFCGTYPLGNF-UHFFFAOYSA-N 363.420 1.712 0 40 FDAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 18516446 YESSLUPFHGCBBQ-LBPRGKRZSA-N 357.366 1.751 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccnn2C(C)C)c1C 9602306 PLLPUOKBAXOFLK-UHFFFAOYSA-N 362.386 1.991 0 40 FDAB COC[C@@H](O)CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 84016818 YTCUPOUWBVYARK-HNNXBMFYSA-N 351.834 1.809 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1OC 72284003 HNVIQZFQXRBMLU-BEFAXECRSA-N 369.421 1.935 0 40 FDAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NC(C)(C)C)c1=O 67235383 GMXDWUKXQBFXQG-UHFFFAOYSA-N 368.437 1.620 0 40 FDAB COc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 9953538 TUXMPDSEOQHTRB-UHFFFAOYSA-N 367.405 1.810 0 40 FDAB C[C@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)n1nnc(-c2ccccc2)n1 179359360 LNGMPATZEJTBQU-TZMCWYRMSA-N 352.402 1.773 0 40 FDAB O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NS(=O)(=O)Cc1cccc3c1OCCO3)C2 408502313 QSDCYCHPZGUHMF-CYZMBNFOSA-N 365.407 1.019 0 40 FDAB CO[C@@H]1CCC[C@H]([C@H]2NC(=O)N(Cc3ncnn3-c3ccccc3)C2=O)C1 517238925 JTAQOXMFCUZSTJ-YSVLISHTSA-N 369.425 1.893 0 40 FDAB CCn1ncnc1CNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 565865418 FZFJNOHROXBHSR-ONGXEEELSA-N 369.472 1.466 0 40 FDAB CC(=O)N1CCN(C(=O)COC(=O)c2nc(Cl)ccc2Cl)CC1 9365239 MOTPQUVHUKCOSM-UHFFFAOYSA-N 360.197 1.236 0 40 FDAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21 225695220 GNGBUOFGJKPDLD-UHFFFAOYSA-N 366.468 1.648 0 40 FDAB CC(C)(C)CN1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)CN12 514290425 ZCVIWLYPLSCMFB-DLBZAZTESA-N 358.486 1.073 0 40 FDAB biogenic,in-vitro O=C(NCc1cccnc1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100436 SRLTUOCXHSOYTO-UHFFFAOYSA-N 364.287 1.886 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C(=O)N(C)CCN2CC(C)C 96230274 ZQPQGVFDTBBQNA-UHFFFAOYSA-N 362.474 1.696 0 40 FDAB CCS(=O)(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244381 DTXOVLGTBFPNGU-SFHVURJKSA-N 359.451 1.967 0 40 FDAB Cc1nc(CN2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)cs1 96224186 UAYOHGMWAJCYFX-KRWDZBQOSA-N 350.488 1.354 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96158866 OODCGCCVSNRVEA-AWEZNQCLSA-N 351.472 1.516 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248159815 XDCQXSSPOXQACO-QAETUUGQSA-N 360.502 1.929 0 40 FDAB COc1cccc(S(=O)(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)c1 248097030 GVAHTUHMCRAVAG-CQSZACIVSA-N 354.472 1.427 0 40 FDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cc2cccnc2)C1 257232476 GKZVCLHVVHLRTM-HXUWFJFHSA-N 357.429 1.859 0 40 FDAB Cc1ccc(-n2cccc2)c(C(=O)N(CCO)CCN2CCOCC2)c1 585080160 PNODLKAPHZLMDT-UHFFFAOYSA-N 357.454 1.552 0 40 FDAB COc1cc(NS(=O)(=O)N(C)C)c(C(=O)O)cc1Br 285315269 ZHMBCVHZDFCNMC-UHFFFAOYSA-N 353.194 1.374 0 40 FDAB Cn1cc(O[C@@H]2CN(C(=O)CCc3nc4ccccc4o3)C[C@H]2O)cn1 628256867 PHWPMYBJUAWJJC-GDBMZVCRSA-N 356.382 1.145 0 40 FDAB CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1 630651060 RPHPMNAVXNDLMN-IAGOWNOFSA-N 356.426 1.891 0 40 FDAB COCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1 643770829 AZKGGCRUMHKMDU-OIISXLGYSA-N 354.472 1.099 0 40 FDAB CC(=O)N1CCC[C@@](O)(C(=O)NCC2(c3ccc(F)cc3F)CC2)C1 671595336 JMJIRJFGHIHGFZ-SFHVURJKSA-N 352.381 1.486 0 40 FDAB COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccc1OC 585097192 IMYNIHDGMWCZSY-INIZCTEOSA-N 358.442 1.429 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3C)C2)CC1 585277573 NDFKUNKVPXEWIO-FQEVSTJZSA-N 362.470 1.448 0 40 FDAB COCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 585095668 AQOSEOJIFCOSOA-AWEZNQCLSA-N 362.455 1.223 0 40 FDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2ncc(Br)cn2)CC1 46065140 KSUWYZYJMQWVJX-LLVKDONJSA-N 356.268 1.274 0 40 FDAB O=C(C1c2ccccc2Oc2ccccc21)N1CC2(C[C@@H](O)CNC2=O)C1 1528991794 FGLMGIWTWGDCSU-CYBMUJFWSA-N 364.401 1.634 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)Nc2cccs2)CC1 585322396 KJAFAFAIUVZBOG-UHFFFAOYSA-N 354.457 1.952 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615161523 ZQAYFNOVEYEZME-IBGZPJMESA-N 354.410 1.458 0 40 FDAB C[C@@H](O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 5257079 ZUZLZMUVPLANJJ-OAHLLOKOSA-N 356.415 1.578 0 40 FDAB C[C@@H]1Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 5260601 DAEYIVCTQUFNTM-IAQYHMDHSA-N 369.373 1.919 0 40 FDAB endogenous,in-man CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 11613349 MHBONNWPLSQNMS-LBPRGKRZSA-N 355.423 1.755 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(CC)c3ncccc32)C1 12222287 GURFXIYFZSGTLR-ZDUSSCGKSA-N 360.414 1.020 0 40 FDAB C[C@H](Cn1cccn1)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19457602 ANGTZARLHBEBRS-RHSMWYFYSA-N 354.458 1.709 0 40 FDAB CN1CCN(CC(=O)N[C@H](Cc2cccs2)c2nccs2)CC1 19589988 XVTXVGYJAJJFKR-CQSZACIVSA-N 350.513 1.852 0 40 FDAB COc1ccc(CNC(=O)CSc2nnc(C3CC3)n2N)cc1OC 3337053 WBPMWSBKJDUENT-UHFFFAOYSA-N 363.443 1.295 0 40 FDAB Cn1c(N2C[C@@H]3CN(C(=O)c4ccc(O)nn4)C[C@H]3C2)nc2ccccc21 1888890418 AKWAUQBJBNENSE-STQMWFEESA-N 364.409 1.277 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](COc3ncc(C)cn3)C2)CC1 1775996001 QIEWKKWOEUWIKO-INIZCTEOSA-N 360.458 1.661 0 40 FDAB CN(C)c1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)nn1 1775985898 HIUGCDDUCCZXNP-UHFFFAOYSA-N 368.441 1.454 0 40 FDAB CCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 1891150 WHHIIMRGPWDFLO-ZHCJQAHYSA-N 354.399 1.200 0 40 FDAB biogenic O=C(CNS(=O)(=O)Cc1ccccc1)N1CCO[C@H](c2ccccc2)C1 16847591 CYCAEPVNJPBCRT-SFHVURJKSA-N 374.462 1.706 0 40 FDAB COc1ccc2cc(C(=O)N3CC(S(=O)(=O)c4nccn4C)C3)[nH]c2c1 585322837 HVYITWYZEDPSRF-UHFFFAOYSA-N 374.422 1.208 0 40 FDAB COc1cccc(C(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)c1 19564815 SMUJQEIRFWERKL-AWEZNQCLSA-N 366.425 1.342 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 31545939 KIDNKFKWFKDPJR-LLVKDONJSA-N 364.471 1.494 0 40 FDAB O=C(NCCCCNC(=O)NCc1cccnc1)NCc1cccnc1 40545882 QDQDEYBJKROUGO-UHFFFAOYSA-N 356.430 1.555 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)N(C)C 40087922 VGKCRFOMRDIZLK-DOTOQJQBSA-N 361.486 1.919 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 20028254 WYXRVQXVAROURU-MRVPVSSYSA-N 360.226 1.803 0 40 FDAB O=C(NCCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccn1 20081819 AYMPWPOKNNZAAO-UHFFFAOYSA-N 356.401 1.409 0 40 FDAB CNC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 40152931 RWOGKCODOCOGEE-INIZCTEOSA-N 361.423 1.411 0 40 FDAB COc1ccc([C@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1F 45565193 BIJLNQGTVDSXBY-WCQYABFASA-N 358.435 1.130 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 45741817 CJQGDEQXYKMYAI-CYBMUJFWSA-N 350.444 1.782 0 40 FDAB CCC(CC)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCOCC1 29208116 HCRMAIBXERWDDU-QGZVFWFLSA-N 372.469 1.790 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1c(C(=O)O)cnn1C 20614463 YZPOOUUEYPZHDK-UHFFFAOYSA-N 359.308 1.462 0 40 FDAB Cc1cccn2c(=O)nc(SCC(=O)NCCc3ccccc3)nc12 4504099 QXEKRNQIYTWYMJ-UHFFFAOYSA-N 354.435 1.849 0 40 FDAB COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1 4876072 OGNUKQDPHDXOCH-UHFFFAOYSA-N 367.409 1.227 0 40 FDAB CC(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 6023981 RXFSAARTXLCYCI-UHFFFAOYSA-N 362.411 1.812 0 40 FDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 6742003 ZITSWVTWVKXAFX-WTTBNOFXSA-N 372.421 1.844 0 40 FDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 6951513 RWBUIGGUHOQCBZ-UKTHLTGXSA-N 362.382 1.940 0 40 FDAB COc1ccc(CN(C(=O)CSc2nc(N)cc(N)n2)C2CC2)cc1 7692799 IQTDENJZKJAYAY-UHFFFAOYSA-N 359.455 1.933 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 21325777 KTQPOOXDXYZFTC-UHFFFAOYSA-N 368.380 1.886 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2CC)C(=O)N1 10385114 RURXPOBRUHSWRQ-ZIAGYGMSSA-N 350.440 1.741 0 40 FDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC1CCCCC1 32777718 LQAXIUUSYYGAMM-SNVBAGLBSA-N 359.473 1.513 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102298630 NHXQADGIHQRKNO-HUUCEWRRSA-N 373.384 1.174 0 40 FDAB COC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157436 VVBCNHFJWFMFSG-HNNXBMFYSA-N 350.415 1.519 0 40 FDAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 100781631 ISUQCQFSRIVKHU-QMHWVQJVSA-N 369.506 1.508 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccccc3F)cnc21 29809552 UFLBVEQHRKFDFB-UHFFFAOYSA-N 356.357 1.564 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCOCC3)CC2)s1 23041034 AUUNYDJYGVBFJS-UHFFFAOYSA-N 358.485 1.316 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)CCC2CCCCC2)CC1 54292245 AWGFCUVSIZQVIC-CQSZACIVSA-N 352.479 1.335 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 102084280 LZUYCICNJCUOBS-FQLKCXHASA-N 350.418 1.917 0 40 FDAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 26977524 AWOMQEFLZAHQJT-NSHDSACASA-N 360.863 1.889 0 40 FDAB O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc21 3163899 AHRADVNJRVYTJK-UHFFFAOYSA-N 357.387 1.536 0 40 FDAB Cc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1C 35307849 OTWKTLGFZGFEBN-UHFFFAOYSA-N 358.442 1.506 0 40 FDAB Cc1noc(NC(=O)CSc2nnc(Cc3cccs3)n2C)n1 58167176 OPICADOGXFEZNP-UHFFFAOYSA-N 350.429 1.890 0 40 FDAB CSC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1C)C(=O)O 2159392 WTUKTXKBSQUWCT-LBPRGKRZSA-N 365.407 1.721 0 40 FDAB biogenic COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(OC)c(OC)c1 2155652 KWZKZVSWWZAODI-LBPRGKRZSA-N 356.444 1.798 0 40 FDAB biogenic Cc1cc(C)n2c(SCC(=O)Nc3sccc3C(N)=O)nnc2n1 3345619 DSUKQYFECYMVNI-UHFFFAOYSA-N 362.440 1.632 0 40 FDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCCCN(C)C)n1 36359021 RZPBNVHABUOGMO-UHFFFAOYSA-N 361.402 1.289 0 40 FDAB C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 36390074 YWRBQXPGWIOXIM-OAHLLOKOSA-N 365.499 1.440 0 40 FDAB CCOC(=O)C(=CNc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC 3342848 OMGQTPLHBFSEBG-UHFFFAOYSA-N 370.427 1.359 0 40 FDAB CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(NC(N)=O)cc1 48290425 KQTPNUASADXPRM-CYBMUJFWSA-N 352.460 1.441 0 40 FDAB COC[C@@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O 16694970 HJZQTORYHSMTCS-GHMZBOCLSA-N 353.806 1.648 0 40 FDAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(C)(=O)=O)s1 13550371 RUWSUXWDVUZDMD-VIFPVBQESA-N 359.404 1.877 0 40 FDAB COc1cccc(CCC(=O)N2CCN(c3ncccn3)CC2)c1OC 8304211 VGFCPIPUJLKTNE-UHFFFAOYSA-N 356.426 1.775 0 40 FDAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3cn4ccccc4n3)o2)C1 39996310 JBKQZMOLVBBCIL-NSHDSACASA-N 364.452 1.987 0 40 FDAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CCS(=O)(=O)C1 5578546 CSRQZOMJWZZFHY-NSHDSACASA-N 353.831 1.751 0 40 FDAB O=C(c1ncccn1)N1Cc2ccnn2C[C@@H](OCc2ccncc2)C1 306123084 AECIAENVKDQLAV-INIZCTEOSA-N 350.382 1.310 0 40 FDAB Cc1cc(C(=O)COC(=O)Cn2cnnn2)c(C)n1Cc1cccs1 7036394 VLCZVMRUUITYNO-UHFFFAOYSA-N 359.411 1.627 0 40 FDAB CN(CCC1CCN(c2ccncc2)CC1)S(=O)(=O)N1CCOCC1 92335001 UPLPVAHDGDFPMG-UHFFFAOYSA-N 368.503 1.197 0 40 FDAB Cc1nnc2ccc(N3CCN([C@@H]4Cc5ccccc5[C@@H]4O)CC3)nn12 89740944 WQUGJHBFPROCLT-APWZRJJASA-N 350.426 1.213 0 40 FDAB CC(C)[C@H](C(=O)Nc1cnc2c(c1)CCCC2)N1CCCS1(=O)=O 96007853 XHVYUWQVLYLZEB-MRXNPFEDSA-N 351.472 1.959 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 72081509 YYEJEVGBHLVBNA-UHFFFAOYSA-N 358.416 1.559 0 40 FDAB O=C(CNC(=O)[C@H](c1ccccc1F)N1CCOCC1)Nc1ccccc1 89845651 PSIHYNVTVQJQJJ-IBGZPJMESA-N 371.412 1.954 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCC[C@H]1C(=O)O 9593981 NZIIMAPWLMBIQF-AWEZNQCLSA-N 354.428 1.325 0 40 FDAB C[C@H](Nc1ccn(CC(N)=O)n1)C(=O)Nc1cccc(Br)c1 97162136 KIPABYSOSRSSDJ-VIFPVBQESA-N 366.219 1.570 0 40 FDAB CCNS(=O)(=O)c1cc(/C=C/C(=O)OCC(=O)OCC)ccc1OC 78413914 CNIVWCAQFRQHFY-VQHVLOKHSA-N 371.411 1.113 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)ccc2c1=O 95992903 HBLGUSROTYRKMF-ZBFHGGJFSA-N 373.453 1.579 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nc3n(c2=O)CCCCC3)c1C 9954657 KNKQXEDWPPYQET-UHFFFAOYSA-N 360.414 1.776 0 40 FDAB C[C@H](C(=O)NCCCNS(C)(=O)=O)n1ccnc1-c1ccccc1 89478637 ZFMQUAOPKREIPJ-CYBMUJFWSA-N 350.444 1.167 0 40 FDAB Cc1nc(NC(=O)Cn2ccc3c(nnc4ccnn43)c2=O)sc1C 79473606 DNYHNMAEYRJXFY-UHFFFAOYSA-N 355.383 1.151 0 40 FDAB CCOc1ccc(C[C@@H](CNc2ccc3nnnn3n2)C(=O)OC)cc1 506766661 IBLVXNLIGUNMBD-ZDUSSCGKSA-N 356.386 1.362 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc21 519962779 CLDDBDGYAZARLF-UHFFFAOYSA-N 365.393 1.272 0 40 FDAB Cc1c([C@H]2CN(C(=O)c3ccc(C(C)C)cn3)C[C@@H]2C(N)=O)cnn1C 527578980 FHRLDOFGVHRFCH-CVEARBPZSA-N 355.442 1.588 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)Cn1nc(-c2cccs2)ccc1=O 72403382 MPUXCFSXXBGPTA-UHFFFAOYSA-N 357.439 1.639 0 40 FDAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CCc4nncn4C3)n2)c[nH]1 550859343 ONMMCHDRQAKEEQ-VIFPVBQESA-N 372.410 1.717 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225878793 WOFCJJKJKPMTRX-CHWSQXEVSA-N 364.519 1.712 0 40 FDAB CCCNC(=O)CNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48062869 OPAYSIFZODWRRY-UHFFFAOYSA-N 353.728 1.932 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(OC)cc2)s1 223362904 MMYRSPZSSKPZLK-VIFPVBQESA-N 370.456 1.935 0 40 FDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40058560 YLNWHECMNFQOAS-CQSZACIVSA-N 351.472 1.049 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 96040073 FCPAWFVTCSZAEX-DLBZAZTESA-N 352.456 1.824 0 40 FDAB Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)s1 96057506 VWKALYZRMRVOCY-KZNAEPCWSA-N 363.527 1.952 0 40 FDAB COc1cc2nc(C)n(CC(=O)Nc3ccn(C)n3)c(=O)c2cc1OC 96118766 QEYQLNWFBXGXBS-UHFFFAOYSA-N 357.370 1.094 0 40 FDAB COCCNc1ccnc([C@@H]2COCCN2C(=O)c2cncc(C)c2)n1 96217503 MVMGUGSZJFIGFH-HNNXBMFYSA-N 357.414 1.452 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1 96221437 MIHDCBCWCHQJBW-INIZCTEOSA-N 368.393 1.217 0 40 FDAB biogenic CC(C)(CC(=O)O)CC(=O)N1C[C@H](O)[C@H](Cc2cccn3nccc23)C1 257302503 SDDSJVKHXXIWSN-ZBFHGGJFSA-N 359.426 1.587 0 40 FDAB O=C(CCc1ccc(F)cc1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257301439 RYLAXONAQJWFRJ-IBGZPJMESA-N 358.417 1.696 0 40 FDAB CCC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 257306479 SUKRPZDUEDAHAF-MRXNPFEDSA-N 374.485 1.611 0 40 FDAB CCc1cc(N2CCC[C@H](NC(=O)N3C[C@H](OC)[C@H](OC)C3)C2)ncn1 276814711 DZTMHFODSIJBDO-HRCADAONSA-N 363.462 1.063 0 40 FDAB O=C(O)[C@H](CO)NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 1608485517 VHMSEQIBABEXLN-LSDHHAIUSA-N 351.305 1.647 0 40 FDAB CNc1ncnc2cc(C(=O)N3CCC(c4nc(=N)n(C)[nH]4)CC3)ccc12 614288180 FYDSBBKJUJMZCU-UHFFFAOYSA-N 366.429 1.232 0 40 FDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cnc(C)[nH]1)CC2 630160941 GQWPYZZSOUEUFL-CQSZACIVSA-N 359.382 1.950 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 644035703 WWHBPQMYNOUAIX-IBGZPJMESA-N 356.426 1.284 0 40 FDAB Cn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644072393 HWKSNXYBUBDYHY-XQQFMLRXSA-N 356.264 1.505 0 40 FDAB COc1ccc2c(c1)C[C@H](C(=O)N1CC(OCc3nc(C)no3)C1)CO2 644210932 XBECAGNEDLDGQH-ZDUSSCGKSA-N 359.382 1.365 0 40 FDAB CN(C1CC1)S(=O)(=O)N[C@H](C(=O)O)c1ccccc1Br 681565326 LRYZBRJDBYAZTL-NSHDSACASA-N 363.233 1.503 0 40 FDAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)Cc3ccc4c(c3)COC4)C2)n1 1775958074 BBXFXHSQCIIMBH-ZMSDIMECSA-N 357.410 1.622 0 40 FDAB CNC(=O)c1cccc(C(=O)NCCCN(C(=O)CCC(C)C)C2CC2)n1 1775996631 BBIUVPFHKDSIKY-UHFFFAOYSA-N 374.485 1.988 0 40 FDAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575402944 FYAPWWUIVHUWIL-DOTOQJQBSA-N 367.405 1.619 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@@]3(C)[C@@H]2CCCC(=O)N3C)CC1 585282816 IAWKYJHUYRFCMB-WMZOPIPTSA-N 351.491 1.225 0 40 FDAB O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@@H]1COc1cnccn1 585098357 WRJXYFDIXBLKJI-OAHLLOKOSA-N 357.414 1.158 0 40 FDAB O=C(NC1CCCC1)c1cc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n[nH]1 72380513 QKMAPFYOOLGIEO-GFCCVEGCSA-N 356.430 1.825 0 40 FDAB O=C1NCC2(CCC(C(=O)NC[C@H]3COCCO3)CC2)Oc2ccccc21 12086811 JNLPSVNCVWZWIY-CHWWFWEZSA-N 374.437 1.269 0 40 FDAB COC(=O)Cc1cc(=O)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2[nH]1 14607084 ALWIAOXNEGUANP-UHFFFAOYSA-N 356.363 1.332 0 40 FDAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCC(=O)N(C)C)cnc12 16283846 OWIHAYYXXJTMDV-UHFFFAOYSA-N 374.422 1.254 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCN3CC(=O)N3CCCCC3)ncc2C1 19018594 VDRSTEHXHCJYME-GOSISDBHSA-N 371.485 1.531 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1=O 19459998 RYLVWLSXQGRORA-UHFFFAOYSA-N 363.389 1.526 0 40 FDAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c(OC)c1 19552557 BGDFTEVPKRGQKX-UHFFFAOYSA-N 370.365 1.741 0 40 FDAB Cc1ncc(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)c(C)n1 19747416 HTWKUFBEKKFJLD-UHFFFAOYSA-N 356.401 1.663 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)n(C)n1 2056224390 PKDIIBZKLWSZGG-HNNXBMFYSA-N 357.483 1.613 0 40 FDAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc2c(c1)OCO2 4499746 KOPITZVPYJKRQW-UHFFFAOYSA-N 356.363 1.549 0 40 FDAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3cccnc3)CC2=O)cc1 8808608 NGWKNXPVPFHUCU-ZDUSSCGKSA-N 361.423 1.422 0 40 FDAB COc1ccc(CCNC(=O)c2c(O)nc3scc(C)n3c2=O)cc1 10166727 BTAGYIKQLARZHB-UHFFFAOYSA-N 359.407 1.751 0 40 FDAB CN(C)CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055772102 WSCIAXQKNCNLQY-OAHLLOKOSA-N 361.490 1.140 0 40 FDAB CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(C)c(=O)n3c2c1 23126239 BQZNPQWYHBTFRD-UHFFFAOYSA-N 357.414 1.315 0 40 FDAB C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccco1 206716284 QTUBJWLLBNBQBA-HNNXBMFYSA-N 359.350 1.913 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCN(c2cccc(C)c2)CC1 40082457 YDQHAKBVUFZHDX-HXUWFJFHSA-N 372.513 1.634 0 40 FDAB CCCc1sc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1CC 40070327 LRLGESVNJLDWQS-UHFFFAOYSA-N 373.544 1.827 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccn(-c3ccccc3)n2)cc1 40149974 HZWCGGCZRSTPNQ-UHFFFAOYSA-N 371.422 1.841 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 36755247 VMZAPCRBQRPZIZ-CYBMUJFWSA-N 368.455 1.479 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1 3458513 KRUUMMGRGVVQOX-UHFFFAOYSA-N 356.407 1.250 0 40 FDAB CN1CCN(Cc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)CC1 20533161 FIJIFIKXLNRLDZ-UHFFFAOYSA-N 372.498 1.938 0 40 FDAB CCN(CC(=O)NCCCO)S(=O)(=O)c1cc(Cl)ccc1Cl 6205031 YVAXXFCTPLWOQD-UHFFFAOYSA-N 369.270 1.503 0 40 FDAB CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 8034317 MTNQJRWZVNWTRN-UHFFFAOYSA-N 350.371 1.945 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32657625 JYPFDPDGNRJVQM-SJORKVTESA-N 373.453 1.722 0 40 FDAB CCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1C 100737811 MAFXIWIQQRTKGL-ROUUACIJSA-N 371.485 1.635 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 41673513 ZAVOTUKAEPYGKK-GFCCVEGCSA-N 360.863 1.507 0 40 FDAB Cc1ccccc1NCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 21348889 QNRHQMUTYZKGIX-UHFFFAOYSA-N 361.467 1.974 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc2c(c1)OCO2 12407786 FLTUUUQRALSIHC-ZDUSSCGKSA-N 363.395 1.074 0 40 FDAB COc1cc(CNCCNCCO)ccc1OCc1ccc(Cl)nc1 22074902 WGRNAWZQJZBKPR-UHFFFAOYSA-N 365.861 1.994 0 40 FDAB Cc1cc(C)cc(C2(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)CCC2)c1 53916411 JQGJZOSUNRBGED-UHFFFAOYSA-N 372.465 1.992 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1F 22934478 HXRRFHDBQFQLST-UHFFFAOYSA-N 362.449 1.313 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 12568658 MVAKIVYCUUVBGD-GBIKHYSHSA-N 366.414 1.599 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 101943205 IGDJUVKHKVQMQL-XSLAGTTESA-N 356.422 1.606 0 40 FDAB Cc1cc(C(=O)CCC(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)s1 24779770 BCQVRAFGMIDZTI-UHFFFAOYSA-N 372.512 1.822 0 40 FDAB CC(C)(O)CNC(=O)[C@@H]1CCCN1C1CCN(CC(F)(F)F)CC1 89761723 KKSFOYZHEYPPDQ-ZDUSSCGKSA-N 351.413 1.365 0 40 FDAB CC(C)[C@@H]1NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 12681120 MXRDVLHRJXUYID-LBPRGKRZSA-N 354.204 1.964 0 40 FDAB CC(C)C[C@@H]1C[C@@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)CC(=O)N1 108176904 FLZMDZOGWDVLTG-RRFJBIMHSA-N 366.531 1.563 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3332849 MGCJISUENYAHDZ-OAHLLOKOSA-N 350.330 1.858 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNCc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H](C)O1 58100019 BSZOQVAIRDVUKC-HGTKMLMNSA-N 356.488 1.932 0 40 FDAB CCOC(=O)CN(CC(=O)Nc1cc(C(=O)OC)ccc1C)CC1CC1 58133801 CVXFRGXTJICGIK-UHFFFAOYSA-N 362.426 1.995 0 40 FDAB Cc1cc(NC(=O)CNC(=O)[C@@H](C)n2cncn2)ccc1Br 58231225 BXKKALHFXKBXSK-SNVBAGLBSA-N 366.219 1.665 0 40 FDAB O=C(Nc1cccnc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 7777586 FAYYHIGQOBMTFL-UHFFFAOYSA-N 370.434 1.881 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1 23249087 NJYRQFUWOWWYCC-SFHVURJKSA-N 372.513 1.952 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)O)n2)cc1 49544886 FQVSVFIEEJJJNE-INIZCTEOSA-N 373.409 1.534 0 40 FDAB CC1(C)Cc2sc3c(=O)n(CC(=O)N4CCOCC4)cnc3c2CO1 13720708 DTKSRYJDGKERDD-UHFFFAOYSA-N 363.439 1.168 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1 8230802 TZJLZTLXGJHIMC-UHFFFAOYSA-N 362.389 1.927 0 40 FDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 24685909 GFXCRTTYNZNLTF-GFCCVEGCSA-N 350.362 1.995 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1cc(F)ccc1F 13961537 BJORPSDJTNUWJD-UHFFFAOYSA-N 350.325 1.423 0 40 FDAB C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 6461348 FMUVPVLBGUEUEH-FYJFLYSWSA-N 354.428 1.820 0 40 FDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 22322818 WKBFWEOFAAHFOP-UHFFFAOYSA-N 369.377 1.166 0 40 FDAB C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 6646023 UKRITCXKHZUBSA-DIYINZTRSA-N 373.384 1.952 0 40 FDAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)n[nH]c1=O 6610529 PTNSXNUVRRYBEX-UHFFFAOYSA-N 350.400 1.499 0 40 FDAB C[C@]1(C(=O)N2CCN(c3ncccn3)CC2)Cc2ccccc2C(=O)O1 6848715 XTBJVPBMAWGPRI-LJQANCHMSA-N 352.394 1.297 0 40 FDAB CC(=O)Nc1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 7063662 SWCNQEUMYPMWMN-UHFFFAOYSA-N 371.393 1.601 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O 8778518 VSTKHFOOEUPFOT-UHFFFAOYSA-N 359.430 1.029 0 40 FDAB NC(=O)NC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 19233590 LKZLFRWONQSMKX-UHFFFAOYSA-N 357.351 1.105 0 40 FDAB CCCn1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n[nH]c1=O 9053055 YPAGJJBRPNQGRD-SNVBAGLBSA-N 364.427 1.507 0 40 FDAB CN(C(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 87006166 AFTWOHMIPJXOGK-LBPRGKRZSA-N 353.831 1.989 0 40 FDAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C(=O)N1c1ccccc1 89920108 HEWLOBAUKYCMNA-LZQZEXGQSA-N 371.481 1.940 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCCc1ccc2c(c1)OCCO2 9575578 DKODJOHTEONOMR-UHFFFAOYSA-N 354.362 1.725 0 40 FDAB C[C@@H](NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccccc1 79028835 WHCJMLZJTHXLMI-MRXNPFEDSA-N 358.486 1.943 0 40 FDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCc2cncnc2C1 95396050 RCFJSXRJZQBWGX-KRWDZBQOSA-N 367.388 1.279 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 95451422 NVXOYYJTBKYPMR-KGLIPLIRSA-N 354.472 1.414 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)C(C)(C)C)cc1 95949413 MNJKPISYGOYUMQ-CQSZACIVSA-N 370.471 1.946 0 40 FDAB CCCNC(=O)NC(=O)CSc1nnc(NCCCOCC)s1 9952552 AMPDPVLRXSQXGG-UHFFFAOYSA-N 361.493 1.705 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218110887 PBJGCISNFYSCRO-QZTJIDSGSA-N 362.447 1.914 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC(F)F)ccc1F)CC2 528817539 LSZZVQJLHQJUTI-SECBINFHSA-N 370.331 1.910 0 40 FDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1cccc2nsnc12 1565523415 NJCVXOFOZUUIQJ-HNNXBMFYSA-N 365.436 1.787 0 40 FDAB CC(C)n1ncc2cc(NC(=O)CCCN3C(=O)CN(C)C3=O)cnc21 31496801 LFMTUGIAKDXHAC-UHFFFAOYSA-N 358.402 1.625 0 40 FDAB O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 72321739 ZREJRPVQLMRHBG-OHDICMOHSA-N 355.390 1.466 0 40 FDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)Nc2cccc(I)c2)CC1 40098298 HIRMRQGOLKBGMS-UHFFFAOYSA-N 373.194 1.987 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCO1 566077173 ZOLNKPMCIZEHDI-SECBINFHSA-N 371.745 1.416 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)[C@@H]1CCn2cncc2C1 329967320 WBXDKKJCUNVHNV-RYRKJORJSA-N 374.464 1.250 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 89212870 IKFPBBWPRNOQQM-AWEZNQCLSA-N 368.455 1.959 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCc1ccco1)Cc1ccccc1 223990637 AIHLZIXBIHSPNI-UHFFFAOYSA-N 350.440 1.790 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3ccnc(O)c3c2)C1=O 570711612 XJRYWPOQBUGLNO-SFHVURJKSA-N 354.366 1.599 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(C[C@@H]1CCOC1)CC2 96230133 UVHWLORKGXXQDC-SFHVURJKSA-N 358.486 1.227 0 40 FDAB CS(=O)(=O)CC1(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CC1 581183130 PHYFAEKQMBTJOQ-GOSISDBHSA-N 355.475 1.877 0 40 FDAB CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCC[C@]2(C(=O)O)C1 96064208 SJYKSFFHCZHMRC-WBVHZDCISA-N 352.456 1.245 0 40 FDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@H](COCC1CCOCC1)C2 96106073 SWFNRPIMOUFHKG-KRWDZBQOSA-N 354.491 1.389 0 40 FDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 96225638 KEAJMPWKLODTCY-KXBFYZLASA-N 372.425 1.735 0 40 FDAB CO[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96108590 OKQLJBCRHVVZLP-QXAKKESOSA-N 352.438 1.838 0 40 FDAB Cn1cc(C(=O)N2Cc3cccn3C[C@H](OCc3ccncc3)C2)cn1 248102025 FBZRVDYIJFAOPH-SFHVURJKSA-N 351.410 1.858 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242400311 ATYDAPZGAJGXBD-JFIYKMOQSA-N 361.419 1.665 0 40 FDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3nccs3)C2)OC1)C1CC1 247306556 GXAOUUYQPLHADR-LBPRGKRZSA-N 357.501 1.206 0 40 FDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@@H]32)cs1 248002633 CKSZYGPVLHSQCX-BFYDXBDKSA-N 358.467 1.723 0 40 FDAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1ccsc1)C2 248018132 GZPOEUFXFQBANZ-OAHLLOKOSA-N 360.483 1.893 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccc(Cl)cc1 257324723 WPVUIZXYUGXYMW-NHYWBVRUSA-N 362.817 1.848 0 40 FDAB CCCn1cc(CN2CCO[C@@H](c3nccc(CNC(C)=O)n3)C2)cn1 257292546 QMAPXMSBHPPQHB-QGZVFWFLSA-N 358.446 1.293 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc3c(c1)OCO3)C2 253381942 GKUPBTFGGWWHGJ-CQSZACIVSA-N 353.440 1.441 0 40 FDAB CC1(c2ccccc2)CN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C1 621638897 FBRMZYWLZSITGY-UHFFFAOYSA-N 372.446 1.829 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cccc(Cn2ccnc2)c1 643948085 JGRNNPBFMDTCGV-LJQANCHMSA-N 356.426 1.299 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1ccnn1Cc1ccccc1)N(C)C2 644270638 QWTAPQRKGPSBOP-OAHLLOKOSA-N 351.414 1.284 0 40 FDAB COCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 604419517 HVYKRQUKYQDUCC-GOSISDBHSA-N 365.389 1.564 0 40 FDAB Cc1cc(OCC(=O)NC2(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)CC2)no1 1775997172 BDTKAJWSWNACFF-WFASDCNBSA-N 361.442 1.905 0 40 FDAB CC(C)(C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1)c1ccc(F)cc1F 1775994672 BPXFTBXFUSOXNC-KRWDZBQOSA-N 350.369 1.871 0 40 FDAB O=C(C1CCC1)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 575406724 ZWCYHRNQPHTMQF-CQSZACIVSA-N 352.385 1.824 0 40 FDAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575406042 VSGCQRQOEBUXOK-OAHLLOKOSA-N 368.422 1.248 0 40 FDAB CC(C)C[C@H](C(=O)O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 574815886 ASAYKDWBUWBVFE-MRXNPFEDSA-N 354.472 1.633 0 40 FDAB Cc1snnc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)[C@@H]2C 585113548 IMZFVDVBZQVDLY-GFCCVEGCSA-N 364.471 1.479 0 40 FDAB O=C(N[C@@H]1COCCC12CCN(C(=O)c1ccnc(F)c1)CC2)C1CC1 585103671 MUDWLQNAIGTTTB-OAHLLOKOSA-N 361.417 1.758 0 40 FDAB Fc1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 676312247 GDOVCQJFTVQEIQ-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB Cn1nc2c(c1C(=O)N1C[C@H]3[C@H](NC(=O)CCC4CCC4)[C@H]3C1)CCC2 1615058511 PPENEHUVQYNSIE-HWWDLCQESA-N 356.470 1.676 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161490 YWOCTEMJWOPUOV-HXUWFJFHSA-N 366.421 1.823 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 8105072 RBSIOOLULWCJJL-GHXNOFRVSA-N 370.814 1.845 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 5027336 HTVDMLDHTTWATO-GHYKFQNRSA-N 363.410 1.699 0 40 FDAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)c(C)o1 12183788 AHCZYDSMRGFFFS-AAEUAGOBSA-N 360.414 1.559 0 40 FDAB C[C@]12CC=CC[C@@H]1C(=O)N(CCN1C(=O)[C@@H]3CC=CC[C@@]3(C)C1=O)C2=O 17143573 IOWPIAKWRDDMBS-GOFCXKROSA-N 356.422 1.669 0 40 FDAB CN1CCC2(CC1)CN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1O2 19083051 KMEMNVLLZXUEOT-UHFFFAOYSA-N 359.470 1.900 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 225404810 KQEHVWWCCMITFB-LBPRGKRZSA-N 357.414 1.703 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NCCC3=CCCCC3)ccc2c1=O 3906586 KOXQGVYJGLCFRT-UHFFFAOYSA-N 371.437 1.957 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@H]32)CC1 659191044 WISJWMNRDUZCOF-HRCADAONSA-N 365.474 1.872 0 40 FDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(CCF)CC1 575616992 MABMSMKOHPUWEF-UHFFFAOYSA-N 350.362 1.410 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCC(c2ccccc2)=N1 11656824 QETJWNGMEQEIIA-UHFFFAOYSA-N 354.395 1.127 0 40 FDAB Cn1ccc(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)n1 1888843249 OTSRBQPTSVXQHP-QWRGUYRKSA-N 366.347 1.437 0 40 FDAB CCc1nc(N2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)nc(O)c1F 1888866649 XTQJQKMEPIOCKH-QWRGUYRKSA-N 361.377 1.389 0 40 FDAB CCS(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888869726 XUPIDSFICIAUMM-LLVKDONJSA-N 351.432 1.052 0 40 FDAB Cc1nc(C[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc(C(=O)N(C)C)n1 1848353140 HFAUIILCHDHFPF-HNNXBMFYSA-N 367.453 1.977 0 40 FDAB COc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 866124847 AZZODGPEVPNOIC-UHFFFAOYSA-N 369.469 1.644 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1F 238849703 JEEPIWJIHJWAQJ-VIFPVBQESA-N 374.415 1.293 0 40 FDAB CCn1ncc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c1C 2037985439 JVPRYGASELQGRM-LJQANCHMSA-N 362.474 1.844 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@@]2(CO1)CN(c1nc(C)cc(C)n1)CCO2 2056226223 NJLNTFONKPRTKB-LPHOPBHVSA-N 362.474 1.763 0 40 FDAB Cc1ccc(C(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(CC(C)C)S4(=O)=O)O3)o1 1565550803 GDKKRIJXVIRSPM-UKPHBRMFSA-N 368.455 1.242 0 40 FDAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CC1 2694888 DUJGJEXEAPDIKU-UHFFFAOYSA-N 367.452 1.666 0 40 FDAB CCc1ccc(NC(=O)Cn2c(=O)c3c(OC)ccnc3n(C)c2=O)cc1 9571590 OPNSMLOAKFVCIB-UHFFFAOYSA-N 368.393 1.305 0 40 FDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccccn1 12440188 YWRQIZPCEPPBDC-UHFFFAOYSA-N 374.404 1.684 0 40 FDAB COc1ccccc1NC(=O)Cn1nc2c3sccc3ncn2c1=O 13349829 QPNVJVRMJVHMME-UHFFFAOYSA-N 355.379 1.753 0 40 FDAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@]1(OCCO)CCOC1 617717963 PILWCPZDMOMARH-HNNXBMFYSA-N 364.225 1.656 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 31530369 YQOIZEQBVDCYTF-INIZCTEOSA-N 357.454 1.796 0 40 FDAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1CCc1ccccc1 20410497 DMYDHSNULWPSNS-GOSISDBHSA-N 363.417 1.720 0 40 FDAB biogenic COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 101021094 IUOAIADSKHKEMQ-KOLCDFICSA-N 350.718 1.032 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCCC[C@H]1C 6354366 JUGPPZMJVOASHL-IOASZLSFSA-N 372.421 1.909 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 58250516 MSLMTWGRCWMZIW-BETUJISGSA-N 367.515 1.659 0 40 FDAB COCCn1c(=S)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20757552 QJYKODIAYAYSDI-HNNXBMFYSA-N 372.450 1.974 0 40 FDAB biogenic C[C@@]1(NC(=O)Cc2cc(Cl)cc3c2OCOC3)CCS(=O)(=O)C1 29786077 XQQYBFYGOHXDSQ-OAHLLOKOSA-N 359.831 1.442 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 52135306 YIXUCVUNJFAAIB-NSHDSACASA-N 372.516 1.767 0 40 FDAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCC(=O)N1CCCC1 32716757 YRGZHGDALUXPDC-UHFFFAOYSA-N 370.453 1.532 0 40 FDAB CCN(CC)C(=O)CN1CCN(Cn2nc3ccccn3c2=S)CC1 32770261 XYLNWHNDJNAARF-UHFFFAOYSA-N 362.503 1.309 0 40 FDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 102207552 PSBXDDIXCNKGDP-QWRGUYRKSA-N 350.444 1.850 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cnn1C 2732368 LMLDAVGSEQIHQE-CYBMUJFWSA-N 366.443 1.039 0 40 FDAB COc1cccc(CNC[C@]2(COc3cnccn3)C[C@H](O)[C@H](O)C2)c1 107430546 SJAIWFYXJTYSEB-IZZQQSIFSA-N 359.426 1.156 0 40 FDAB biogenic,in-vitro Cc1noc(COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)n1 23382146 DOLJDPRDXWQPAV-AWEZNQCLSA-N 353.400 1.424 0 40 FDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)C1 1255744 MPKFXHIMPMIXHL-LBPRGKRZSA-N 371.416 1.847 0 40 FDAB Cc1cc(NC(=O)CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 12523236 JSNFDINQODPUGB-UHFFFAOYSA-N 352.416 1.592 0 40 FDAB Cc1ccccc1-n1cnn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S 12514917 CVTZJXYPCIRNBQ-CYBMUJFWSA-N 352.485 1.788 0 40 FDAB CC(=O)N1CCN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 24769956 PNNWWNLMBZSYMX-UHFFFAOYSA-N 373.482 1.997 0 40 FDAB COc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc(OC)c1OC 3242932 IIXXGHWXWLJSLX-GFCCVEGCSA-N 353.371 1.164 0 40 FDAB NC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 27133602 LQCCLBPJOWBDIL-LLVKDONJSA-N 365.484 1.653 0 40 FDAB CCO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 58293438 PNGUVZNQYVINIM-HIFRSBDPSA-N 370.471 1.185 0 40 FDAB CCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 58263166 DANSKXHDQRZAMM-AWEZNQCLSA-N 353.440 1.742 0 40 FDAB O=C(NC1CC1)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 58391575 IXSBRKFLAWCVKW-UHFFFAOYSA-N 368.474 1.980 0 40 FDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 58323390 MEUNSPDIIPXASK-ZDUSSCGKSA-N 357.410 1.143 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)on1 12884065 REXJPAZIJWMQHN-UHFFFAOYSA-N 369.830 1.783 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 62522038 CRVNYRFYSCFBAS-CQSZACIVSA-N 374.416 1.955 0 40 FDAB CN(Cc1cccs1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 12989656 XEIGABQZHSTQMJ-HNNXBMFYSA-N 360.414 1.966 0 40 FDAB COc1ccc(OCC(=O)N2CC(=O)c3ccccc3S2(=O)=O)cc1 5274918 TUKOWFARJDWMOO-UHFFFAOYSA-N 361.375 1.488 0 40 FDAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NC1CCCCC1 6385724 XYTDZDIFAJGIFL-LBPRGKRZSA-N 357.410 1.846 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3cccs3)C1)OC2 306142900 XNTQCCVGJNZOEA-KRWDZBQOSA-N 362.455 1.222 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)s1 14199384 PSADXZVGESRBJC-UHFFFAOYSA-N 351.453 1.598 0 40 FDAB CCNC(=O)NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 6610898 DVHPEDDMSSQNMM-UHFFFAOYSA-N 355.394 1.841 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1 6651654 UGNOMHWPCOQLRP-UHFFFAOYSA-N 372.410 1.682 0 40 FDAB C[C@@H](C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1)n1nnc2ccccc2c1=O 6760218 VYTFPZIOZIJHNA-ZUZCIYMTSA-N 368.349 1.000 0 40 FDAB CC(=O)N1CCC(NC(=O)CN2C[C@H](c3ccccc3)OCC2(C)C)CC1 66897195 KJSLVJWROKKFST-LJQANCHMSA-N 373.497 1.966 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(C2CCOCC2)Cc2cncn21 306134655 NUOJPRUYZNAGME-SFHVURJKSA-N 355.442 1.472 0 40 FDAB CCOC(=O)C1CCN(CC(=O)NCCOc2ccccc2OC)CC1 15487508 CKXHGJXRVXKMNI-UHFFFAOYSA-N 364.442 1.465 0 40 FDAB Nc1nc(CSc2n[nH]c(=O)n2C[C@H]2CCCO2)nc2ccccc12 18325555 KBPUARBNZHVENE-SNVBAGLBSA-N 358.427 1.568 0 40 FDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)nc1 96013496 YSWVCDXFOZPQKV-UHFFFAOYSA-N 363.367 1.069 0 40 FDAB CCN1CCN(C(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)CC1 23410322 MFZATQTXNZFHFI-UHFFFAOYSA-N 353.488 1.234 0 40 FDAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 72403946 CVFNZSNSYMCHLN-UHFFFAOYSA-N 362.437 1.929 0 40 FDAB CN1CCO[C@@H](C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)C1 76060817 MPZSIQGXMSWUAG-GOSISDBHSA-N 374.437 1.210 0 40 FDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCS(=O)(=O)C1 88241784 WYKMFBUQJOIDSV-ZDUSSCGKSA-N 364.398 1.409 0 40 FDAB Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 73796827 OWYBOYRBGSGZDN-SFHVURJKSA-N 369.469 1.888 0 40 FDAB Cc1ccc(-n2nc(C(=O)NC3(CO)CCOCC3)c3c2CCC3)cc1 95997263 HACYOBAWIWGYMZ-UHFFFAOYSA-N 355.438 1.941 0 40 FDAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nc(N3CCCC3)ncc2C1=O 306143959 YRWDFVSKGFNGEF-UHFFFAOYSA-N 369.469 1.433 0 40 FDAB Cc1cc(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)no1 1501040374 NDEUSSAOXNRIBO-UHFFFAOYSA-N 368.444 1.288 0 40 FDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)n1 553091485 WMGLGSIVABHOMK-OAHLLOKOSA-N 370.457 1.291 0 40 FDAB Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NC[C@@H]2CCCO2)n1 36614975 FPQXHGYBEFRTCB-VIFPVBQESA-N 359.308 1.550 0 40 FDAB CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC 135891440 SUJCDMBYNNJRJV-YOEHRIQHSA-N 361.490 1.378 0 40 FDAB C[C@H]1CCCCN1C(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 72263787 IUQCWXJKFYICGN-NSHDSACASA-N 361.427 1.854 0 40 FDAB Cc1nn2c(nnc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccccc1 40390968 USHOZIVKABMNBZ-UHFFFAOYSA-N 372.392 1.934 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCSc2nc(C)n[nH]2)cc1C 222995952 LWVYHJFEMBVGQH-UHFFFAOYSA-N 356.473 1.891 0 40 FDAB CSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)s1 225835960 RMIBQRGVYYJUMH-UHFFFAOYSA-N 358.470 1.908 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccc(C)cc2)s1 224177875 LSCGBOHLKOATOC-JTQLQIEISA-N 370.456 1.551 0 40 FDAB CN([C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O 223233402 IPHLZWZFZLNVMJ-MRXNPFEDSA-N 362.407 1.987 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223669326 BZIPNNOXSHOTBG-UHFFFAOYSA-N 369.420 1.678 0 40 FDAB Cc1cc(CNS(=O)(=O)c2ccccc2F)nc(N2CCOCC2)n1 224232069 NVCGUCXPIFGUSV-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(c3ncccn3)CC2)O1 96144901 XZJZHAWNJBWUHU-HNNXBMFYSA-N 370.457 1.436 0 40 FDAB Cc1nc(CN2CC[C@@]3(CCCN(C(=O)CN(C)C)C3)C2=O)cs1 96224395 LPFPDMLZBQWTJH-QGZVFWFLSA-N 350.488 1.354 0 40 FDAB CC(C)C(=O)N1CC[C@@H]2CN(Cc3ccncc3)S(=O)(=O)[C@@H]2CC1 96145442 SBOMEBQNVKZHBN-HZPDHXFCSA-N 351.472 1.490 0 40 FDAB COCc1cnc2n1CCN(S(=O)(=O)c1cccc(OC)c1)[C@H]2C 96109563 VSPBTMKQIVGFGA-LBPRGKRZSA-N 351.428 1.804 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(CN(c3ccccc3)C(=O)CN2C)C1 96237865 SDCSWZBCFDUKQI-SFHVURJKSA-N 365.499 1.539 0 40 FDAB CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 96260387 UDABZJDCZSQGMS-UHFFFAOYSA-N 366.469 1.779 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](Oc2cnsn2)C1 618257263 TZIQTKGVYICSGM-LBPRGKRZSA-N 371.422 1.318 0 40 FDAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)c1 247901493 ISUZAPQRAWZVMG-INIZCTEOSA-N 354.410 1.770 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCO[C@H](CCc2ccncn2)C1 257303150 SFZOGXJSQPSAMY-CQSZACIVSA-N 351.403 1.638 0 40 FDAB CS(=O)(=O)N1CCc2c(cccc2NCc2ncnn2CC(F)F)C1 585085238 ZDJTWPPDUANQDS-UHFFFAOYSA-N 371.413 1.473 0 40 FDAB Cc1noc(C)c1CN1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 252006327 OUUIWOBUZHGKQO-OAHLLOKOSA-N 354.472 1.707 0 40 FDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cnc(N(C)C)nc2)n1 257203500 AQIVOZAHNCAQMH-OAHLLOKOSA-N 355.446 1.372 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1=O 542726190 NWFFSWINGJAHDG-SFHVURJKSA-N 374.485 1.706 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)c1noc2c1CCCC2 257205391 AYUYFGNGZJCDJR-GOSISDBHSA-N 357.414 1.057 0 40 FDAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 260743617 NPXOGMXQTPWTEC-PBHICJAKSA-N 367.515 1.945 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)C2 624080988 DRRNMMRXHZWLLQ-UWWQBHOKSA-N 359.426 1.547 0 40 FDAB CC(C)N1CC[C@@H](N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1=O 674345781 OOSCNWBVULOCEG-CQSZACIVSA-N 371.441 1.025 0 40 FDAB O[C@H]1CCOC2(CCN(c3nnnn3Cc3ccc4occc4c3)CC2)C1 1262462888 YRUMSICKJSKZII-INIZCTEOSA-N 369.425 1.978 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C(=O)N(Cc2ccc(OC)cc2)[C@H]1c1cccnc1 575623558 BLZYEXMGSMGVAG-IRXDYDNUSA-N 368.389 1.922 0 40 FDAB CCn1cccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1=O 570934180 KKANYURJCLTQCO-UHFFFAOYSA-N 350.396 1.984 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 585292441 MIFQLQVRNOFMJU-FNORWQNLSA-N 366.469 2.439 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 585269242 MRQZUWUQKZDAGJ-FQEVSTJZSA-N 362.470 1.448 0 40 FDAB Cc1ccccc1C(=O)N1C[C@H]2C[C@H](CNC(=O)c3cccn3C)O[C@H]2C1 585108534 QLOMRHFUDHNAAO-MDZRGWNJSA-N 367.449 1.993 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@H]2O1 585109032 PAFBFAFTAVQZIR-LMCYLSQRSA-N 361.417 1.452 0 40 FDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)COc3ncccn3)C2)c1 585275856 HPKHHHKZALZNFW-LJQANCHMSA-N 357.410 1.596 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3ccc(F)c(F)c3)ccc21 51134367 KKTPIFOOZQYIRC-UHFFFAOYSA-N 354.334 1.923 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1 75158041 NIBDVJMYWYRGEF-UHFFFAOYSA-N 364.471 1.207 0 40 FDAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1CN1CCC[C@H]1CO 96008250 BTAJEMNOMFRLNQ-SFHVURJKSA-N 356.470 1.924 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccnc1 657075693 BTCHFQIHJNBAIA-XJKSGUPXSA-N 350.444 1.744 0 40 FDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2O)C1=O 8103675 FKJWQJIUGOLVEI-LCYFTJDESA-N 350.396 1.581 0 40 FDAB CC(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4)ccc3OC[C@@H]2C1 1772594466 CHTHMXYOKLQNKF-KRWDZBQOSA-N 366.421 1.612 0 40 FDAB O=S(=O)(CCCCS(=O)(=O)N1CCCCC1)N1CCCCC1 5375731 BYDJETPSOXGEPF-UHFFFAOYSA-N 352.522 1.398 0 40 FDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 12142942 XXXVKJFYOUZUHD-INIZCTEOSA-N 360.458 1.507 0 40 FDAB CCOC(=O)[C@@H](C(=O)C(F)(F)F)[C@@H](NC(N)=S)c1ccsc1 12339369 KJHDTGFPBYGSCW-SFYZADRCSA-N 354.375 1.933 0 40 FDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 12366171 CRRYRFUXSBNMAT-ZBFHGGJFSA-N 366.483 1.163 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)c3cnn(C)c3C)nc12 19127018 JSMQGOPJMBIENB-UHFFFAOYSA-N 364.409 1.430 0 40 FDAB OCC[C@H]1CN2CCC[C@H]2CN1Cc1ccnc(N2CCSCC2)n1 19404026 VIMOBRZNRROVRU-IRXDYDNUSA-N 363.531 1.061 0 40 FDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Br)OCO2 19575868 YBKKKJNFMCMNBT-CYZMBNFOSA-N 369.259 1.817 0 40 FDAB COc1c(C)cccc1C(=O)N1CCC[C@H](c2nnc3n2CCNCC3)C1 19709237 QSUXIXGDAPPFHQ-HNNXBMFYSA-N 369.469 1.761 0 40 FDAB CNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1C 19711157 ZAAFZXNCWLZFHK-CQSZACIVSA-N 363.443 1.009 0 40 FDAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccs1 19991101 ZCXMXHNPSIKKAR-IBGZPJMESA-N 372.446 1.845 0 40 FDAB CCc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)nc(C2CC2)n1 1888897988 TXTJHYKRAWSYRR-UHFFFAOYSA-N 364.457 1.920 0 40 FDAB CCc1cc2c(N3CCO[C@H](C(=O)N4CCOCC4)C3)ncnc2s1 1889128286 VEZXSLGWTCIUIJ-AWEZNQCLSA-N 362.455 1.318 0 40 FDAB CC(C)(CNC(=O)N1CCN(c2ccccc2F)CC1)N1CCOCC1 24572990 OLALSXMKFHNNIR-UHFFFAOYSA-N 364.465 1.768 0 40 FDAB O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)O1 1775958402 WUTUMAVBJDAZPB-JKSUJKDBSA-N 357.410 1.976 0 40 FDAB O=C(c1cnccn1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984478 CFAUTXMEQZBLTH-FQEVSTJZSA-N 366.421 1.905 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)C3CC(C)C3)CC2)CN1S(C)(=O)=O 1614939648 VDLKCHAWUIPCQV-NRXISQOPSA-N 358.504 1.322 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565552172 PRKHLARUIJTEQI-TWGXZMITSA-N 355.438 1.171 0 40 FDAB O=C(CC1CCOCC1)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738773 PSPZDKKZEWOSGL-CQSZACIVSA-N 361.442 1.701 0 40 FDAB CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccco1 225653565 ZXMHXAHCBSDFJH-OAHLLOKOSA-N 352.412 1.647 0 40 FDAB Cc1cccc(N2CCN(C(=O)c3nc(-c4cnccn4)no3)CC2)c1 44122213 AIJXYAIUSWCQMW-UHFFFAOYSA-N 350.382 1.797 0 40 FDAB C=Cc1ccc(Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1 49410390 WUZHRFKGIUCOIZ-UHFFFAOYSA-N 360.435 1.561 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)/C=C/c2cccs2)CC1 575616016 NGJMVXBGVZGXDK-AATRIKPKSA-N 357.501 1.396 0 40 FDAB Cc1cc(C(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)cs1 19572002 XDHRRMLXADEJKE-LBPRGKRZSA-N 356.455 1.703 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40011965 BBEOMBVXHGOSNX-HNNXBMFYSA-N 374.408 1.725 0 40 FDAB O=C(CN1CCOCC1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 40039012 KNACHFFMHJIIMC-UHFFFAOYSA-N 372.296 1.970 0 40 FDAB NC(=O)COc1ccc(CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 40114614 LPNQJCSKUZFNDX-INIZCTEOSA-N 367.405 1.335 0 40 FDAB O=C(NCCCN1CCOCC1)C1CCN(C(=O)c2ccsc2)CC1 30512760 LLKFJTUAZVAFFQ-UHFFFAOYSA-N 365.499 1.439 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCCc1ccccn1 30525167 ANOKCBGYHVEUFQ-UHFFFAOYSA-N 373.478 1.814 0 40 FDAB CCOC(=O)[C@H](C)On1c(-n2nc(C)cc2C)nc2ccccc2c1=O 2423293 CORLURGZSGZLTN-ZDUSSCGKSA-N 356.382 1.579 0 40 FDAB CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1cccc(OC)c1 903296 PALQOFVCSVAZGS-UHFFFAOYSA-N 352.394 1.972 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12 101022873 ADBHLWJITZEUHY-GMSGAONNSA-N 371.136 1.377 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccnc1 32070172 MOVROMYQEILLLB-KBPBESRZSA-N 352.394 1.578 0 40 FDAB CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 36833114 CWFDOEVEMMYFCX-UHFFFAOYSA-N 370.408 1.557 0 40 FDAB CCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 7263318 PNKXAQNJNWLAKW-UHFFFAOYSA-N 354.798 1.221 0 40 FDAB CNC(=O)NC(=O)Cn1cnc2cc(-c3ccc(F)cc3)sc2c1=O 17173071 IWMJHGVJTCFIJF-UHFFFAOYSA-N 360.370 1.720 0 40 FDAB CCCCc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8012105 WMBIOFUOFGCDLY-UHFFFAOYSA-N 354.410 1.659 0 40 FDAB CN([C@@H]1CC(=O)N(Cc2ccccc2)C1=O)S(=O)(=O)c1cccnc1 101476980 QZFIVPVIBRSLIA-OAHLLOKOSA-N 359.407 1.030 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 8605465 DOQKPDOHIMRRJS-UHFFFAOYSA-N 371.418 1.846 0 40 FDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102188417 VYWRDAAIMSPADK-JNTCMIMUSA-N 374.387 1.819 0 40 FDAB CCOC(=O)c1cnc(SCc2csc(N(C)C(C)=O)n2)nc1N 52889502 PJMYPPCDWBXLSV-UHFFFAOYSA-N 367.456 1.967 0 40 FDAB C[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 18049129 JBMITGRVLGIEJZ-HNNXBMFYSA-N 356.426 1.689 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC(=O)c2sc(C)nc2C)c1 42299603 ZTZMPZJLNKISKA-UHFFFAOYSA-N 356.425 1.896 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 54321701 TVLIHRTWEPDUQA-ZDUSSCGKSA-N 365.861 1.530 0 40 FDAB CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc2nsnc12 12406738 LQLATCXFANJJMC-UHFFFAOYSA-N 358.445 1.494 0 40 FDAB NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1 55091528 YSQVQWQOLOSOSC-MRXNPFEDSA-N 371.462 1.697 0 40 FDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCCC2)C1=O 24728066 TXRGHUDTMAPGOI-HXUWFJFHSA-N 355.438 1.955 0 40 FDAB COCc1nc2[nH]c(=O)c3c(n2n1)NC(=O)C[C@H]3c1ccccc1Cl 61720570 DIXRAKYLBFAAQN-VIFPVBQESA-N 359.773 1.692 0 40 FDAB CC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768772 UBRTYTAYDWWWCD-UHFFFAOYSA-N 367.471 1.002 0 40 FDAB COc1cccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 57176042 HJGBJRNGEGUVGE-DLBZAZTESA-N 366.483 1.556 0 40 FDAB Cc1nnnn1-c1ccc(F)c(NC(=O)CCS(=O)(=O)CC(C)C)c1 108170638 FTKBHDBEKQJKPP-UHFFFAOYSA-N 369.422 1.509 0 40 FDAB COc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2CCCOCC2CC2)cc1 58154839 MQIRDAARIXYYBZ-IRXDYDNUSA-N 357.414 1.623 0 40 FDAB COc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1OC 3365951 DIPRXNHTMYJQKI-UHFFFAOYSA-N 353.378 1.730 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1ccccc1 3376851 OCYJHVJBTCJYGR-OAQYLSRUSA-N 363.417 1.739 0 40 FDAB O=C1CN(C(=O)Cc2csc(N3CCCC3=O)n2)c2ccccc2N1 12790182 XMHWMDQFCFVRNG-UHFFFAOYSA-N 356.407 1.798 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1cccs1 7816821 BPPFPOXHRAGRST-UHFFFAOYSA-N 350.421 1.252 0 40 FDAB COCC(=O)Nc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 13008084 CFVQSMXSMRZDDT-UHFFFAOYSA-N 366.377 1.620 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1OCC 13183646 DBTMWDDXKNEELE-LBPRGKRZSA-N 357.428 1.969 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N3CCN(C(C)=O)CC3)c(=O)oc2c1 13690906 CVZBMMANLHIZDL-UHFFFAOYSA-N 372.421 1.733 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1 6167503 RMBIRPUQTOIBCR-UHFFFAOYSA-N 358.394 1.382 0 40 FDAB biogenic C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@](CO)(CCO)O2 4424624 XYPPDQHBNJURHU-BEVBPZNGSA-N 356.503 1.855 0 40 FDAB COCCN1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348751 MBMMNTCGVZRGGO-IHSNIMORSA-N 371.437 1.100 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCC(c2ccccc2)=N1 14141380 AKJORRWALUNCEG-IBGZPJMESA-N 362.433 1.535 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N1CCCCC1 14241950 PVFMQUBNPMZEAX-UKRRQHHQSA-N 350.415 1.978 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)C[C@H](C)O1 5676425 QXPWONXMFLYAMH-QWRGUYRKSA-N 365.434 1.526 0 40 FDAB Cc1cccc(OCCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 7138312 NZHCXAOLDFWGTJ-UHFFFAOYSA-N 367.405 1.584 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 8944870 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643857603 AHMMUBMJNGXLSG-SJORKVTESA-N 358.442 1.634 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)CCOc2ccccc2Cl)C1 644044824 UKYUVKJSGMPJMF-KRWDZBQOSA-N 354.834 1.599 0 40 FDAB CN(CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1 662010751 UIPRXYCCHSRWJK-QGZVFWFLSA-N 359.474 1.712 0 40 FDAB CC1(C)CN(C(=O)NCCC2CS(=O)(=O)C2)CCc2ccccc21 664729736 LYVCOUCAYZNDMJ-UHFFFAOYSA-N 350.484 1.967 0 40 FDAB CSCc1ccc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)o1 91325949 PCUNEEDGRRLBTL-KRWDZBQOSA-N 351.472 1.569 0 40 FDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](OCC3CC3)C2)c1 390830221 JPOPDHBCQPBPAO-MRXNPFEDSA-N 366.483 1.691 0 40 FDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)Cc2cccnc2)C1 585277605 NMCDICWJSCHUMR-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)nc1 585275857 FYIUQDQTKCNXOH-RHSMWYFYSA-N 354.410 1.570 0 40 FDAB C[C@@]1(C(F)F)CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CCO1 685938953 QTYIMAWZQFQGKW-INIZCTEOSA-N 351.357 1.833 0 40 FDAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 43822757 DOVVFFXQLUBZAJ-KRWDZBQOSA-N 361.490 1.270 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1nc(C2CC2)no1 47393746 MIGAMHPVUAODPF-UHFFFAOYSA-N 350.400 1.981 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)[C@]12CCCO2 572701594 WBMNHCPUNJQREK-KZNAEPCWSA-N 368.499 1.753 0 40 FDAB CCOc1cccnc1C(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H]1COC[C@@H]12 1615592616 YUHCOYCQTVTEHY-JKSUJKDBSA-N 373.453 1.580 0 40 FDAB COCC(=O)N1CCOC2(CCN(Cc3cc(C)ccc3OC)CC2)C1 1615612441 YMPTYEHLQDDCNH-UHFFFAOYSA-N 362.470 1.843 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1 5118117 KGZIRRAMUWXQQH-VIFPVBQESA-N 365.386 1.744 0 40 FDAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnn4cccnc34)cc2n1 12154050 KENRQBCAHDKYFG-CQSZACIVSA-N 363.381 1.763 0 40 FDAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCNc3ccccn3)C2)c1 19750228 OBJDZXRIACILTL-INIZCTEOSA-N 368.437 1.781 0 40 FDAB Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c1 19961178 MVTKGHRQVWTHTK-ZDUSSCGKSA-N 367.409 1.743 0 40 FDAB NCC(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643556292 HSHDOMPOSBGJAQ-UHFFFAOYSA-N 373.497 1.866 0 40 FDAB CC(C)c1nc(S(=O)(=O)NCc2nc(C3CCOCC3)no2)cn1C 575616467 LKDGUGKKZFZETL-UHFFFAOYSA-N 369.447 1.299 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888860379 PTGCJCKCZKTZPP-RYUDHWBXSA-N 360.439 1.059 0 40 FDAB Cc1ncnc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1F 1888881753 IJBPIRYSVOYKQF-UHFFFAOYSA-N 354.389 1.623 0 40 FDAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)n1 1888897156 VSRAFPBPQMPNEY-KBPBESRZSA-N 350.430 1.343 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@]1(O)CCCc2sccc21 1889128433 KKLDNBYUVJSBHJ-MRXNPFEDSA-N 350.465 1.766 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)nc1 30434454 MHCNNGYOUFWCTC-QPJJXVBHSA-N 369.425 1.354 0 40 FDAB O=C(c1ccc(O)nn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1146984776 PPDDUZKSYHJQPI-AWEZNQCLSA-N 352.394 1.318 0 40 FDAB O=c1ccc(N2CCN(c3ncncc3F)CC2)nn1Cc1ccccc1 2086992644 HJIQNYFPFRGYRD-UHFFFAOYSA-N 366.400 1.547 0 40 FDAB O=C(Nc1ccccc1)c1ncn2c1CN(C(=O)C1CC(O)C1)CCC2 1565553451 ZDJPCVDFHLZYQI-UHFFFAOYSA-N 354.410 1.639 0 40 FDAB O=c1cccnn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 11856334 VNEZXBOINJPBBG-UHFFFAOYSA-N 363.317 1.120 0 40 FDAB COc1cccc(OCC(=O)NCc2nnnn2-c2ccc(F)cc2)c1 16960542 AMTSEEIQBLVVLI-UHFFFAOYSA-N 357.345 1.505 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2F)C1 2055771878 GODXLMPGZKBWIK-IBGZPJMESA-N 358.417 1.671 0 40 FDAB Cn1nc(-c2ccccn2)cc1CNC(=O)Cn1c(=O)oc2ccccc21 1775966605 ORERXAHNTUEFFP-UHFFFAOYSA-N 363.377 1.706 0 40 FDAB O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134790 OFPXODNVSTWSEA-UHFFFAOYSA-N 374.351 1.492 0 40 FDAB CCNC(=O)N1C[C@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@@H]2C1 2086894020 NRJIYUXALWIPOD-HUUCEWRRSA-N 355.446 1.377 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2[nH]cnc2c1 21634156 HEWIHPDTMXJKGI-UHFFFAOYSA-N 358.423 1.743 0 40 FDAB Cc1ccn(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36619164 VAQQMOHHGBYOAR-UHFFFAOYSA-N 365.372 1.865 0 40 FDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31370811 FGBIBDDWEWLIAS-DOTOQJQBSA-N 351.406 1.550 0 40 FDAB COc1cc2ncn(CCC(=O)NCc3cccnc3)c(=O)c2cc1OC 31820733 UJMLYUWXFIYWEK-UHFFFAOYSA-N 368.393 1.515 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1-n1cnnn1 20718684 VHXUUMAIDWOMDJ-LBPRGKRZSA-N 351.794 1.633 0 40 FDAB COc1ccc(CNC(=O)c2ccc(F)cc2-n2cnnn2)cc1OC 20732810 YFDROOMRUWLMLU-UHFFFAOYSA-N 357.345 1.749 0 40 FDAB COC(=O)CCCN(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 32278238 RHDQHEPMXLODGA-UHFFFAOYSA-N 354.428 1.153 0 40 FDAB COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)NC(C)C 7468760 WTUOVYAQTHARPW-UHFFFAOYSA-N 363.439 1.707 0 40 FDAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 32759287 OMEGTRLQOMPCPI-CYBMUJFWSA-N 370.409 1.164 0 40 FDAB CC(C)OC(=O)CCNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 32862916 JGSYJWMYFHVPSE-UHFFFAOYSA-N 361.442 1.932 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1F 100033331 PDAPDSZYZMUXMB-HOTGVXAUSA-N 367.340 1.758 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1CN1CCOCC1 29876606 AXFITNPPCUUYRR-UHFFFAOYSA-N 351.406 1.570 0 40 FDAB CC(C)CN(Cn1nc(CCC(N)=O)n(C)c1=S)CC(F)(F)F 54496664 FQGHGUAECUDQNJ-UHFFFAOYSA-N 353.414 1.847 0 40 FDAB CC1CCC(N(C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 46562627 XNCYALWPVZJQIT-JXQTWKCFSA-N 369.487 1.189 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1C[C@H]1C)n2CCC 22403807 OZTBTTNVATXNDL-NEPJUHHUSA-N 362.430 1.796 0 40 FDAB Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 175886023 LSXJUCBFPBURRL-DLBZAZTESA-N 369.473 1.825 0 40 FDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 54228882 PKNAXFHTTWRWAS-BXUZGUMPSA-N 372.874 1.392 0 40 FDAB O=C1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCN1 23420240 DUXIVSMMJXDTKQ-UHFFFAOYSA-N 352.481 1.893 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CN(Cc2ccccc2)CCO1 23762749 FUPPCKHOABILAV-MRXNPFEDSA-N 372.446 1.732 0 40 FDAB CCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23394739 FWJLRNVFTLMBDN-UHFFFAOYSA-N 373.434 1.817 0 40 FDAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 29645113 CCAMRDKIHDWYJF-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB COc1ccc(CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OC 24732897 MMPFLMMAFHABSL-SCLBCKFNSA-N 364.467 1.817 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCCN(c2nccs2)CC1 70012670 FZPOHNVUCVENPA-ZDUSSCGKSA-N 365.503 1.812 0 40 FDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)ccc12 35979967 VXQZRBZOKHMUQN-ZDUSSCGKSA-N 350.396 1.464 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCN(CCc2cccs2)CC1 58192111 LVDLQCXNBMINMV-UHFFFAOYSA-N 372.494 1.646 0 40 FDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)NCCCSc1ccccc1 58344118 UFDLYMCQQCEXHA-AWEZNQCLSA-N 357.497 1.879 0 40 FDAB CN1CCN(C(=O)C2CCN(Cn3c(=O)oc4ccccc43)CC2)CC1 48279286 MHFRZUKESMSTNM-UHFFFAOYSA-N 358.442 1.038 0 40 FDAB C[C@H](Sc1nncs1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 48272750 HEDWMMARBUJQJX-LBPRGKRZSA-N 369.516 1.769 0 40 FDAB CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CCCC(=O)NC 48314801 OIGQPQRYAADGGD-UHFFFAOYSA-N 366.443 1.274 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H](C)O1 12855536 BJOWPDFHBKKXER-HUUCEWRRSA-N 364.471 1.358 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 8392043 YPHGXCFZEGSIIG-MRXNPFEDSA-N 374.418 1.292 0 40 FDAB CC[C@@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CCO1 12947148 JGEGGJAOOVSCNA-OAHLLOKOSA-N 357.410 1.573 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12930131 AEWDQMOOPLXLNW-GFCCVEGCSA-N 370.409 1.752 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC(=O)Nc3ccccc31)C2=O 3595666 IYQIHLZXDOWXPZ-BLVKFPJESA-N 370.409 1.472 0 40 FDAB COc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 5215960 PRJBBDPATNXWSX-UHFFFAOYSA-N 361.375 1.731 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)c1ccc[nH]1 14021987 WKKWGNMZYHOSTF-UHFFFAOYSA-N 365.411 1.177 0 40 FDAB CN(C)[C@@H](CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccco1 14182627 SUDPGEQRTQVOHP-ZNMIVQPWSA-N 359.426 1.340 0 40 FDAB CN(C)CCNC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 8991063 YYASIVMWWTVDQE-UKTHLTGXSA-N 351.403 1.540 0 40 FDAB COCc1cc(=O)n(CC(=O)NCc2ccccc2)c(N2CCCC2)n1 67256813 NDWZWCWZNKZZAO-UHFFFAOYSA-N 356.426 1.306 0 40 FDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC[C@@H]1COc2ccccc2O1 4957499 BUSRERQMUUEPAI-CQSZACIVSA-N 369.356 1.435 0 40 FDAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC[C@H]1CCCO1 7498967 FWDVXTSWXTWQBS-GFCCVEGCSA-N 366.219 1.398 0 40 FDAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)O)n2)c1 71333960 VLDPJEMTJKDCQC-MRXNPFEDSA-N 373.409 1.534 0 40 FDAB C[S@](=O)CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 83990111 ZBMUQRXHBWKYPN-HXUWFJFHSA-N 362.245 1.719 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)o1 84199640 WXZZEXFQESJCGL-MNOVXSKESA-N 371.459 1.130 0 40 FDAB COc1ccc(-c2nnc(S(=O)(=O)C[C@H]3CCCCO3)n2C)cc1 97101371 VZJJOUUZBSKZNS-CQSZACIVSA-N 351.428 1.834 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](C)N2CCN(C)CC2)c1C 97598539 RAFDRJJDJYAUGZ-OAHLLOKOSA-N 353.532 1.834 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306125796 DCRIOUQTZITRRH-CYBMUJFWSA-N 353.386 1.040 0 40 FDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCC[C@H]3CCC[C@H]3O)c(C)c12 89499589 PMMSVVPKEKXRBV-GDBMZVCRSA-N 374.485 1.868 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCO)Cc1ccc(Cl)c(Cl)c1 408604541 DTGWAVFYWYLGSH-UHFFFAOYSA-N 369.270 1.254 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 306137833 RHSUYPVYLRCXBN-CABCVRRESA-N 352.442 1.260 0 40 FDAB Cc1nc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)sc1C 32093072 KEYCXNPDTTXBIF-CYBMUJFWSA-N 372.450 1.868 0 40 FDAB O=C1OCCN1c1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 40149946 DCLXYIJUZJOMIQ-UHFFFAOYSA-N 357.391 1.882 0 40 FDAB COc1c2c(c(S(=O)(=O)NCC(C)C)c3c1OCO3)CCN(C)C2 40309039 HVHLFWSDFITASJ-UHFFFAOYSA-N 356.444 1.346 0 40 FDAB biogenic COc1cc2c(cc1OC)CN(C(=O)COc1c[nH]c(C)cc1=O)CC2 85879685 FNVMTFIARWYOBG-UHFFFAOYSA-N 358.394 1.664 0 40 FDAB biogenic C[C@@H](C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 571446197 ZJFWRZKHRKYVMI-RHSMWYFYSA-N 354.406 1.751 0 40 FDAB O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1COc2ccccc2O1 43977165 KIWQWZILJITWSB-KRWDZBQOSA-N 354.410 1.649 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101131 WTDYNMSPCYWAKQ-UHFFFAOYSA-N 370.331 1.181 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)c1ccnnc1)CC2)c1cnccn1 96051522 HYHITUTWQYDMAD-HNNXBMFYSA-N 352.398 1.081 0 40 FDAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)CC1 96228466 CFZBLXZUBZATMS-PXNSSMCTSA-N 358.486 1.340 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccccn4)CC3)[C@@H]1CN(C(C)=O)C2 97952830 QTIIULZGNLPFBJ-GHTZIAJQSA-N 370.497 1.668 0 40 FDAB CCOC[C@@H]1CCC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)N1C 96209727 VMKYGPRZLRZHKX-AWEZNQCLSA-N 356.492 1.074 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCCn3nnc(CN4CCOCC4)c3C2)c1 96259614 ZZHNPVUGGLGPOF-UHFFFAOYSA-N 369.469 1.773 0 40 FDAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(S(C)(=O)=O)C[C@H]21 514288578 CVMICDTVXWKEIK-PWSUYJOCSA-N 364.345 1.182 0 40 FDAB biogenic,in-vitro O=C(COCC(=O)N1CCCCCC1)Nc1cnn(CC(F)(F)F)c1 96182859 GBNCCKADTOHNEM-UHFFFAOYSA-N 362.352 1.803 0 40 FDAB Cc1ncsc1CN1CCC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 96206975 KNXFYSVCTNUKGG-YOEHRIQHSA-N 353.488 1.680 0 40 FDAB O=S1(=O)NCC2(CCN(c3ncccn3)CC2)COc2ccccc21 96145085 KRJGMWUVNMZMEQ-UHFFFAOYSA-N 360.439 1.434 0 40 FDAB CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1cccnc1 96251064 FZQKNDMTUWTJIU-BRWVUGGUSA-N 365.499 1.801 0 40 FDAB Cn1ccnc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2 248095864 CXVPQOQQBDIBHC-CQSZACIVSA-N 360.483 1.893 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1cccnc1 247866710 OUTGPOMWWNODMV-LJQANCHMSA-N 369.469 1.768 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)s1 245227119 AVMPQSVJOPOXAL-OBFZLBHCSA-N 358.423 1.092 0 40 FDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1 248138091 PKUHURHZCGLZQN-OAHLLOKOSA-N 371.441 1.609 0 40 FDAB CC(=O)NCC(=O)N1[C@H]2CCCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257265850 MAPUOXUESSLDSF-LQWHRVPQSA-N 371.481 1.784 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)CCO1 257317637 VKOZGVQAIFHQFE-IBGZPJMESA-N 357.385 1.528 0 40 FDAB Cc1cn(-c2ccnc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)c(C)n1 257277213 NWWWOVVRGXUAGD-HNNXBMFYSA-N 363.487 1.870 0 40 FDAB O=S(=O)(NCc1ccnc([C@@H]2CCCOC2)n1)c1ccc(F)cc1 257202891 ANVKKIFASAJJEL-GFCCVEGCSA-N 351.403 1.988 0 40 FDAB Cn1cc(O[C@@H]2CN(c3cncc(OCC4CCCC4)n3)C[C@H]2O)cn1 624423815 VWAKICRYRXTIHB-HZPDHXFCSA-N 359.430 1.408 0 40 FDAB O=C(NC1CCN(C(=O)c2csc(CO)n2)CC1)C1CCCCC1 630847378 UZAAOTCUILXZOK-UHFFFAOYSA-N 351.472 1.937 0 40 FDAB O=C(Nc1cccnc1N1CCCC1)N1CCO[C@H](Cn2ccnn2)C1 631537299 RHLRXEVSRGUORY-AWEZNQCLSA-N 357.418 1.206 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(c2nc(-c3ccncc3)nc(C)c2C)C1 643720393 CVWPSSAYPYNNPG-IBGZPJMESA-N 355.442 1.623 0 40 FDAB O=S(=O)(NCCO)c1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)cc1 653512336 IZDKVXNAQNAFPQ-IBGZPJMESA-N 361.463 1.938 0 40 FDAB Cc1cnc2nc(C(=O)N(C)Cc3ccccc3N3CCOCC3)nn2c1 665590890 QDINPHQIOYWVIX-UHFFFAOYSA-N 366.425 1.542 0 40 FDAB CCO[C@H](CS(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1)C1CC1 606444801 YNSLKEORHXLMNQ-DIECFANBSA-N 361.504 1.790 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3ccc(N(C)C)nc3)CCO2)c1 585279667 WWXSBDOALLTFBK-OAQYLSRUSA-N 369.465 1.902 0 40 FDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106224 XPSWPDISLHSHRE-SJORKVTESA-N 356.470 1.390 0 40 FDAB COCC(=O)N1CC(F)(F)C[C@]2(CCN(c3ccc(C)nc3)C2=O)C1 585093060 IDKMLYMMLWEDNE-MRXNPFEDSA-N 353.369 1.627 0 40 FDAB O=C(CCc1cncnc1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 585102415 JWNJFKHJUHSCGO-HKUYNNGSSA-N 371.441 1.083 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@H]12 585109488 UGRPXFZJGZYQBL-IIAWOOMASA-N 364.467 1.520 0 40 FDAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1 630219419 MWWYPCYEGOAOMO-DALJILGISA-N 364.423 1.280 0 40 FDAB O=C([C@@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1)N1CCOCC1 631048688 HMRIHUUGPXKGQC-OAHLLOKOSA-N 355.442 1.682 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256994 NNXGWFDKACTRCO-HUUCEWRRSA-N 354.410 1.987 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 169299463 RQZAKLPXGJTNNF-GPINWOSQSA-N 362.401 1.803 0 40 FDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc2nnnn2c1 535722238 NPSLYMJMIFKNNV-NSHDSACASA-N 360.780 1.926 0 40 FDAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC(C)C)c3=O)cc1 12234024 NCMTYQOYVHFBJF-UHFFFAOYSA-N 371.441 1.965 0 40 FDAB CS(=O)(=O)c1cccc2sc(=NC3CN(c4ccccn4)C3)[nH]c12 1888882118 YVSYKNWGMXJHIS-UHFFFAOYSA-N 360.464 1.817 0 40 FDAB O=C(c1cnn[nH]1)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901143 AFGABQAPDIEXRZ-GFCCVEGCSA-N 368.372 1.942 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)nn12 1888904328 WGQFVWDSVLILDY-HUUCEWRRSA-N 363.425 1.290 0 40 FDAB COc1ccc(OC)c2sc(N3CCO[C@H](C(=O)NC4CC4)C3)nc12 1889128442 OERTXPVPOOBIHX-ZDUSSCGKSA-N 363.439 1.797 0 40 FDAB Cc1ccc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)nn1 1889138762 CGEKVDKKGJJAIN-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1cncnc1N1C[C@H]2CN(C(=O)Cn3cnc4ccccc43)C[C@@H]2C1 1889215583 GPFKOKOLSYHMBU-HZPDHXFCSA-N 362.437 1.730 0 40 FDAB CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)C1 1565549560 TWNATFSXOSRQLL-YMAMQOFZSA-N 353.426 1.921 0 40 FDAB O=C(NCc1cccnc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708565 WGYYASPAVOOLOW-UHFFFAOYSA-N 350.378 1.172 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055750701 QZXAYYHBUZIMEZ-FUHWJXTLSA-N 354.410 1.672 0 40 FDAB COc1cc(OC)nc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298192560 WHLFBEUNKVQAKG-UHFFFAOYSA-N 352.460 1.286 0 40 FDAB C[C@H]1CCc2c(nc(N)n(CC(=O)N3c4ccccc4C[C@H]3C)c2=O)C1 12240165 SCSIMQIZTHPCCX-QWHCGFSZSA-N 352.438 1.928 0 40 FDAB NCCn1nc([C@H]2CCN(C(=O)Cc3ccccc3)C2)c2nccnc21 19370078 JDEPTUWDKRVFAB-HNNXBMFYSA-N 350.426 1.344 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cccn2C)c(C)c1 77101911 WWEGWFLBPPDRNP-OAHLLOKOSA-N 365.455 1.694 0 40 FDAB NC(=O)c1cccc(CNc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 29997713 PDLFBEQVFJBYGM-UHFFFAOYSA-N 367.457 1.783 0 40 FDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)[C@@H]2CCCCNC2=O)CC1=O 105782136 AKHFZGSXJIOESF-DJIMGWMZSA-N 357.454 1.723 0 40 FDAB COc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044895 PYOHCHDXCGQCEV-MRXNPFEDSA-N 362.407 1.861 0 40 FDAB C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccn(C)c(=O)c1 40150478 GGTLKCLNJURHDB-AWEZNQCLSA-N 362.451 1.347 0 40 FDAB Cc1cccc2nc(CN3C(=O)c4ccccc4S3(=O)=O)cc(=O)n12 11215515 PPTITSJVILSGGB-UHFFFAOYSA-N 355.375 1.348 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 1707476 NONJJLVGHLVQQM-JDTTZNEISA-N 364.423 1.086 0 40 FDAB CCO[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 51137390 KMJDYPOBXCXEPR-LBPRGKRZSA-N 353.444 1.067 0 40 FDAB O=CN[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 6192334 NSGJHPXAGOJXEQ-OPQQBVKSSA-N 364.660 1.710 0 40 FDAB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c1C 6962523 BMXVHAVBSSBNLP-ZROIWOOFSA-N 366.377 1.983 0 40 FDAB COC(=O)c1nnsc1NS(=O)(=O)c1cccc2nsnc12 20728467 JGXVZIJLNOCULH-UHFFFAOYSA-N 357.398 1.130 0 40 FDAB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 2616657 AQOHHNWSVGCWQQ-MRXNPFEDSA-N 356.334 1.059 0 40 FDAB O=C1N[C@@H]2CS(=O)(=O)[C@@H](CCCCC(=O)OCc3ccccc3)[C@H]2N1 32854416 GOBJAJZVGPZALB-YCPHGPKFSA-N 366.439 1.137 0 40 FDAB COc1ccccc1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nccn1C 32842440 GPWUFFHXUVIUPC-WFASDCNBSA-N 363.439 1.069 0 40 FDAB COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2C(C)C)n(C)c1=O 12232018 UZGBUPIBWXKPMF-UHFFFAOYSA-N 374.445 1.235 0 40 FDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C[C@@H](C)O1 22611926 WFXYHELBTODMLK-XQQFMLRXSA-N 363.483 1.958 0 40 FDAB O=C(Nc1ccc(N2CCCC2)nc1)c1cnc2nc(O)[nH]c(=O)c2c1 47404047 FUNCIVQPYDGOPX-UHFFFAOYSA-N 352.354 1.271 0 40 FDAB CCOCc1ccccc1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 42483599 VLUQYXWXZPWIKP-HNNXBMFYSA-N 357.497 1.760 0 40 FDAB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCN(c2ncccn2)CC1 12549043 SZBOQGBBWGGJIX-OAHLLOKOSA-N 354.458 1.692 0 40 FDAB O=C([C@H]1CCCN1C(=O)c1ccco1)N1CCN(Cc2ccco2)CC1 54481247 UNUQDYQDIYJSCC-MRXNPFEDSA-N 357.410 1.822 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@@H](c1cccs1)N1CCOCC1 23745248 PAJWNYJQFICNMD-INIZCTEOSA-N 373.478 1.668 0 40 FDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 42772977 YIAMHRNBTWMHOS-VNHYZAJKSA-N 354.472 1.876 0 40 FDAB COc1ccccc1NC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 24691768 WDERYHDKESCNBT-UHFFFAOYSA-N 360.458 1.857 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@@H](c3ccco3)N(C)C)c(O)nc2c1 24939734 IJDOAZJFHUEIHQ-AWEZNQCLSA-N 357.366 1.785 0 40 FDAB COCCN(Cc1ccco1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 25095519 QZIULSAZUNAREC-UHFFFAOYSA-N 360.366 1.413 0 40 FDAB Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)OCC(N)=O)c1O 12602751 ZZIVZJBGOKCYGX-UHFFFAOYSA-N 368.345 1.139 0 40 FDAB CN(C(=O)C[C@H]1C=CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 57765043 NOEGZZZHTBZJRH-ZDUSSCGKSA-N 354.410 1.486 0 40 FDAB Cn1cc2c(n1)N(C(=O)c1ccccc1)CC[C@@H]2NC(=O)[C@@H]1CCCO1 306124895 CBRCIZAFYMBLBI-HOTGVXAUSA-N 354.410 1.807 0 40 FDAB CC1(C)NC(=O)N(CCSc2ccc(C(=O)N3CCCC3)cn2)C1=O 58183040 PQRBZVRWGQAGFV-UHFFFAOYSA-N 362.455 1.740 0 40 FDAB C[C@H]1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H](C)CO1 27642783 ONXCXECPNDWRIC-GJZGRUSLSA-N 354.472 1.317 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCC[C@H]32)C1=O 36369728 VIITXPZFDRVLCR-HNNXBMFYSA-N 364.405 1.797 0 40 FDAB biogenic CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 22512367 JUSRYDXAMUXGIY-SNVBAGLBSA-N 363.842 1.936 0 40 FDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F 65565287 HPSLQFDXAAQWLM-BXKDBHETSA-N 364.439 1.943 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cnn(C)c1C)OCO2 21603740 VSZVEXICAHLNES-UHFFFAOYSA-N 359.338 1.455 0 40 FDAB O=C(CN1CCN(C(=O)NCCc2ccccc2)CC1)N1CCCCCC1 14158736 OVCXAKIXWUMBEJ-UHFFFAOYSA-N 372.513 1.959 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)NCc3ccco3)ccc21 6535110 DNLYPPDRLCQHGY-UHFFFAOYSA-N 369.377 1.791 0 40 FDAB CC[C@H](CO)NC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6759486 WTJQWMZNKLJIRU-MRVPVSSYSA-N 370.427 1.123 0 40 FDAB CCOC(=O)c1nnsc1NC(=O)Nc1snnc1C(=O)OCC 8694223 ZEUSPQYUEKFXAE-UHFFFAOYSA-N 372.388 1.387 0 40 FDAB O=C(NCCN1CCOCC1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 26440116 ACGCIBCQIUQNJI-SDXDJHTJSA-N 368.437 1.234 0 40 FDAB O=C1CCN(c2ccccc2C(=O)Nc2cnc3n2CCCC3)C(=O)N1 67743011 ULFUPNPIMMBIQG-UHFFFAOYSA-N 353.382 1.918 0 40 FDAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 7338005 SFWOIPXAJIZWKH-UHFFFAOYSA-N 357.410 1.726 0 40 FDAB Cc1cccc(-n2c(=O)[nH]c(O)c([C@@H]3OC(=O)c4ccccc43)c2=O)c1 9042750 KOYUCMBTQLBCFC-OAHLLOKOSA-N 350.330 1.800 0 40 FDAB CC(C)CCNC(=O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 71287115 ZUIRCTALANPOJZ-UHFFFAOYSA-N 350.438 1.820 0 40 FDAB COc1cc2c(=O)nc3n(c2cc1OC)[C@@H](c1ccccc1)NC(N)=N3 9108676 YGEGFQGZODJGGM-HNNXBMFYSA-N 351.366 1.510 0 40 FDAB CC(=O)NCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9477208 LFLYRWWWLLSXFI-UHFFFAOYSA-N 368.455 1.075 0 40 FDAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccc2c(c1)OCO2 9421727 IDTJWKFEUSKPKH-SECBINFHSA-N 357.395 1.879 0 40 FDAB COC(=O)c1cnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)s1 9514689 MTLLASQDCAMUDZ-QMMMGPOBSA-N 359.363 1.553 0 40 FDAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CN1CSCC1=O 29234018 MTTXKBFNPMAEOW-UHFFFAOYSA-N 351.428 1.015 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)o1 84199635 WXZZEXFQESJCGL-GHMZBOCLSA-N 371.459 1.130 0 40 FDAB CN(C)CCNc1ncccc1CNC(=O)c1nc2ccccc2c(=O)[nH]1 72306007 YNBFPTSACXSNCT-UHFFFAOYSA-N 366.425 1.222 0 40 FDAB CC(C)[C@@H](NC(=O)c1cc(F)ccc1I)C(N)=O 78655544 DZZNDIAWJANZRR-SNVBAGLBSA-N 364.158 1.670 0 40 FDAB COCCN(CC(N)=O)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 78718668 OBYAMEZSKJKABB-UHFFFAOYSA-N 360.389 1.074 0 40 FDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2OC)CC1=O 95390019 JFHOXNUBGJPQHC-DLBZAZTESA-N 360.454 1.724 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](O)Cc1ccc(F)cc1F 95940355 LSCCMKRVUCPFNJ-GXFFZTMASA-N 368.405 1.864 0 40 FDAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2 95980760 ZDLFSQIIPOITQD-UHFFFAOYSA-N 370.446 1.531 0 40 FDAB C[C@@H](C(=O)NOCc1cccnc1)N1CCN(c2ccc(F)cc2)CC1 89518710 OAPKZPHMZDIQCQ-HNNXBMFYSA-N 358.417 1.979 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)s1 61717851 OPWGIQKSDXXJJT-SMDDNHRTSA-N 364.402 1.982 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@H]1C2 306140572 UXQAOLXCSJYIJS-NEPJUHHUSA-N 358.471 1.321 0 40 FDAB Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ncc3c(F)cccn23)cn1 529137723 ARNNRGWSAWCREJ-PWECECGKSA-N 361.402 1.153 0 40 FDAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3ccccn3)c(=O)c1n2C 72335334 HZRKPBFEEUGYKY-UHFFFAOYSA-N 351.366 1.501 0 40 FDAB Cc1cccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)c1C 32508643 NYBMUUNIIYKGJX-ZIAGYGMSSA-N 367.496 1.442 0 40 FDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1CCc1ccccn1 49410010 AIKAPZOWGJGKIE-UHFFFAOYSA-N 351.391 1.846 0 40 FDAB COc1ccc(OC)c(CN2CCC(C(=O)NC(C)(C)CO)CC2)c1 199402301 GVWIRYYWPBXLBY-UHFFFAOYSA-N 350.459 1.803 0 40 FDAB COc1cncc(O[C@@H]2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n1 225392954 IWQOAYMSFOOEEP-LYKUJDHUSA-N 369.377 1.907 0 40 FDAB COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225875233 XSVXJOHOBXWKCD-QGZVFWFLSA-N 362.451 1.944 0 40 FDAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(CCn2ccnc2)CC1 75157996 INYDOSZHPDMZLG-UHFFFAOYSA-N 356.455 1.793 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225679089 YMWCNIDZDKBJHG-UHFFFAOYSA-N 374.344 1.132 0 40 FDAB COc1cc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc(OC)c1 224171672 ROLOPXMELUTDMZ-UHFFFAOYSA-N 373.413 1.652 0 40 FDAB Cc1cc(C)nc(N2CCC(C(=O)NCc3nnc4ccccn34)CC2)n1 95480119 WLVXDVHLSKXIPO-UHFFFAOYSA-N 365.441 1.669 0 40 FDAB CCN1C(=O)[C@H]2CN(C(C)=O)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 96143638 MSAXIXVUHKMKBM-ZWKOTPCHSA-N 369.465 1.618 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106771 SYIMLKCHLUZTDA-INIZCTEOSA-N 354.410 1.852 0 40 FDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 247316320 KGRTTYFXLALHKJ-INIZCTEOSA-N 369.487 1.565 0 40 FDAB CN(C)C(=O)CO[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1 248017589 QOCCHYJFGBBVEB-QGZVFWFLSA-N 367.453 1.854 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@]2(O)C=C[C@@]3(C[C@@H]2C(=O)O)[C@H]1C5 253505045 PHVHFUCWRHIUOT-AMGUXXHJSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro Cc1cc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)cc(C)n2n1 257290673 QDWNRUYWQOAIRX-OAHLLOKOSA-N 355.442 1.530 0 40 FDAB O=C(Cn1ncccc1=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 253394654 BHYBTXYPFKORML-LSDHHAIUSA-N 351.366 1.036 0 40 FDAB O=C(Cn1c(O)nc(=O)c2ccccc21)N1CCC(c2ccncc2)CC1 277348846 TZLPJAQRHIGTEB-UHFFFAOYSA-N 364.405 1.903 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c1 1634297089 HJSGHEHEOOKTEA-ZDUSSCGKSA-N 366.439 1.556 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N(C)c2cc(OC)ccn2)[C@H]1c1cnn(C)c1C 622887443 VXKLVEUUQDHODX-KSSFIOAISA-N 371.441 1.705 0 40 FDAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(C(=O)O)nc1 640422237 YYNYQMVXFLEZNC-QGZVFWFLSA-N 355.394 1.583 0 40 FDAB C=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1775986610 AQCMJPAYKIQNDO-IGOJGBNBSA-N 364.449 1.707 0 40 FDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 575404243 MIMXVERKKAWIRD-KRWDZBQOSA-N 362.474 1.745 0 40 FDAB CCN1CC[C@]2(CN(C(=O)c3cccnc3OC)CC(F)(F)C2)C1=O 585093325 POBHJYVRLMCQQR-INIZCTEOSA-N 353.369 1.810 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(O)n1 585287676 AHLBZKNGSXKKMZ-XAUMDUMWSA-N 354.406 1.855 0 40 FDAB COCCOc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccn1 179746019 ZZKDVFMJWLUWSJ-UHFFFAOYSA-N 356.426 1.460 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 5628280 LLGXHSYSQYXQCT-UHFFFAOYSA-N 362.436 1.941 0 40 FDAB COc1ccccc1C1(O)CCN(CCNC(=O)c2cc(C)no2)CC1 12326263 UIJBEERCUWASAE-UHFFFAOYSA-N 359.426 1.705 0 40 FDAB NC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)CC1 18029926 WUGIZUHZLVSMHY-CYBMUJFWSA-N 370.236 1.823 0 40 FDAB O=C1[C@H]2CN(Cc3n[nH]c4c3CCCC4)C[C@@H]2C(=O)N1c1ccccc1 1888853705 UVBASLCLOWNXGE-HOTGVXAUSA-N 350.422 1.910 0 40 FDAB Cn1c(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888854699 ROEFCROHCYTSIN-IYBDPMFKSA-N 354.454 1.895 0 40 FDAB O=c1c2nn(Cc3cccc(F)c3)c(=O)n2ccn1-c1cccc(F)c1 1889269660 SALNGBTUGPMCHO-UHFFFAOYSA-N 354.316 1.973 0 40 FDAB CC(C)c1noc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 2087045440 XLCKOOOPTCUEFB-UHFFFAOYSA-N 368.445 1.990 0 40 FDAB COc1cnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)nc1 1565545401 HPLHYUHPIFJLRM-UHFFFAOYSA-N 358.442 1.740 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC[C@H]1CCCO1 4076295 PHYLWFIJSVMWBF-CQSZACIVSA-N 371.372 1.017 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4742193 WHSCMTAKHIAURM-MRVPVSSYSA-N 354.193 1.865 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)CCOc2ccccc2)C1 2055771603 LNCBZPSEBBRAAB-FQEVSTJZSA-N 370.453 1.758 0 40 FDAB Cc1cnc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc1 1775973038 DUDDCODAYRIYOE-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2ccncn2)C1 575607355 BQZSVBXDEQYEQK-AWEZNQCLSA-N 365.393 1.257 0 40 FDAB Cc1cc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)ncn1 2298063529 NSZUGVNVMKIQIA-UHFFFAOYSA-N 362.437 1.717 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@]3(O)CCc4ccccc43)cc21 96025819 RLQLEPMNMKLTLQ-GOSISDBHSA-N 374.418 1.244 0 40 FDAB O=C(CN1C(=O)CSc2ccccc21)NCc1nnc2n1CCCCC2 40012923 JKIIIXRZFWDSEV-UHFFFAOYSA-N 371.466 1.760 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccn2)CC1 4056848 OUZCBEUUKPGWLV-UHFFFAOYSA-N 364.427 1.726 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)s1 11610583 WPMUNACEGNQINO-MRXNPFEDSA-N 357.395 1.179 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 32093153 ICYLUOWYDXJIMH-KBPBESRZSA-N 355.394 1.454 0 40 FDAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101154390 KFSGQTBZORVWCO-YXUGBTPSSA-N 367.401 1.836 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2ccncc2)CC1 8122521 YLBFNHYPJMZGMU-UHFFFAOYSA-N 366.421 1.546 0 40 FDAB O[C@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@H]1O[C@H](c2ccccc2)OC[C@H]1O 8579491 NVEGGHPETXMRSV-UEDNIHKISA-N 358.390 1.937 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC 20763168 BFNSUZCEOLMXND-KRWDZBQOSA-N 374.397 1.257 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1 32774521 UHTMQWMASKCOQH-CHWSQXEVSA-N 370.471 1.508 0 40 FDAB C[C@@H]1Cc2ccccc2N1CCC(=O)N1CCN(c2ncccn2)CC1 32777935 HTUOLUZSAKODML-MRXNPFEDSA-N 351.454 1.967 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 8211932 IUYYBEXBGDBWHU-PIGZYNQJSA-N 374.393 1.389 0 40 FDAB CCc1nc(COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cs1 22357852 SMOFMIMTSKUZQV-UHFFFAOYSA-N 356.425 1.719 0 40 FDAB COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103060321 CFVKYCWATICINK-RCBQFDQVSA-N 371.389 1.856 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)OCc2noc(-c3cccs3)n2)CC1 24119290 ZGJYXPZNGNHZSF-UHFFFAOYSA-N 371.440 1.513 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609634 QGQHIXQYGBQMBD-UHFFFAOYSA-N 372.462 1.520 0 40 FDAB Cc1noc(COC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 25448095 HSVKWIZFCPPEGU-GOSISDBHSA-N 370.365 1.205 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1 25438997 XSFMCYQBFCNLKQ-INIZCTEOSA-N 372.421 1.751 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1 57395827 HLHXAAFKVKMDJQ-UHFFFAOYSA-N 357.458 1.806 0 40 FDAB COc1cc(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1SC 58283658 ILDGDAXTFDWTMQ-CYBMUJFWSA-N 372.512 1.993 0 40 FDAB COc1cccc(CC(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)c1 58244560 LFJSZMBXEWXBJU-UHFFFAOYSA-N 357.410 1.955 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58201398 GDANCPVAZNLBDL-CMDGGOBGSA-N 357.428 1.921 0 40 FDAB COC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 58306870 GEMGSPCHHPECJS-CYBMUJFWSA-N 355.416 1.106 0 40 FDAB CN(CC(=O)NCC(C)(C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 58393753 BTFOVNSCTKBWKB-OAHLLOKOSA-N 372.918 1.853 0 40 FDAB CN(C)C(=O)c1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 36358823 UTEAVLJMEDYTAA-UHFFFAOYSA-N 352.412 1.811 0 40 FDAB NC(=O)c1nn(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c(=O)c2ccccc12 8368007 PIVPGXBPQXDDSM-CZUORRHYSA-N 368.437 1.677 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2nnc3n2CCCCC3)c1 12803657 NYWUCIAQGWNSED-UHFFFAOYSA-N 355.442 1.668 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 3497846 WLZVUCPLUJKLHH-OAHLLOKOSA-N 356.334 1.107 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C3CC3)n2N)cc1 3441744 JONQDDZPWKTGCX-UHFFFAOYSA-N 374.470 1.367 0 40 FDAB CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595072 PWEOMPTXFNZKCI-CQSZACIVSA-N 373.196 1.216 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1 8984112 SRVKSKYROGYVFC-UHFFFAOYSA-N 354.497 1.371 0 40 FDAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)ccc1F 13371781 ASWXPZNHVXKUJW-GJZGRUSLSA-N 361.460 1.169 0 40 FDAB Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n(C)n1 63318366 RTVICHLVEIJMRW-INIZCTEOSA-N 356.426 1.567 0 40 FDAB O=C(c1nnsc1[S@](=O)c1ccc(Cl)cc1)N1CCOCC1 4051853 WMRWVWBYLXHASB-QFIPXVFZSA-N 357.844 1.831 0 40 FDAB O=C(NC1CCN([C@@H]2CCOC2=O)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F 89768097 NLXWFLOBSLTFIO-XJKCOSOUSA-N 364.392 1.964 0 40 FDAB C[C@@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249448 HFFVBVNISQYSIS-SNVBAGLBSA-N 359.817 1.875 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1 4248544 GYZSCVVSXSLQOT-UHFFFAOYSA-N 364.452 1.875 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](COc3ncccc3F)CCN2C)C1 306128827 HLVQOBBUMFBTID-AWEZNQCLSA-N 371.478 1.734 0 40 FDAB CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(S(N)(=O)=O)cn1 14241567 AKEHNURGAFLHJF-UHFFFAOYSA-N 357.439 1.610 0 40 FDAB O=C(NCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1)c1ccco1 15081816 MVKQZNRZEWYBIT-UHFFFAOYSA-N 370.321 1.218 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 7021658 PDTJDZGOJTWRAW-UHFFFAOYSA-N 356.382 1.026 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 15497106 HGIHGGGZOHKFCP-UHFFFAOYSA-N 367.471 1.057 0 40 FDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2OC)c2ccccc21 9184435 ZKERDKYLSXCNSQ-QGZVFWFLSA-N 367.405 1.535 0 40 FDAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCN(c2ccccc2)CC1 9322601 CNOIQHAVLRJUCC-OAHLLOKOSA-N 353.422 1.902 0 40 FDAB O=C(COC(=O)c1nn(-c2ccccc2)c2c1CCC2)NC[C@@H]1CCCO1 9316070 HRTRMKIFODGTIA-HNNXBMFYSA-N 369.421 1.813 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O 9533067 VUESEVBEFAUVAC-MLCYQJTMSA-N 371.397 1.295 0 40 FDAB COC(=O)C1(NC(=O)Cn2ncc(=O)c3ccccc32)CCC(C)CC1 84689199 NICLGLNSGIKNAP-UHFFFAOYSA-N 357.410 1.635 0 40 FDAB CCCn1cnc(S(=O)(=O)Nc2cccnc2N2CCOCC2)c1 95430185 WYKNUEWXGRPDEE-UHFFFAOYSA-N 351.432 1.326 0 40 FDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408954828 NOPIETNTBHTBRP-RGCFKVTRSA-N 357.362 1.093 0 40 FDAB Cc1ccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)cc1 56999920 GLYRHZOCQBWGCG-UHFFFAOYSA-N 355.442 1.526 0 40 FDAB NC(=O)c1nnn(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 70999740 NITHJEKBTUFQSV-ZHACJKMWSA-N 370.394 1.174 0 40 FDAB CCOc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)ncn1 77199340 IRVUYSDWCQHFMX-LBPRGKRZSA-N 356.382 1.876 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 225808785 COAFIISCWXWWPZ-CYBMUJFWSA-N 357.366 1.436 0 40 FDAB O=C1C[C@H](C(=O)N2CCC[C@H](c3nnc(O)o3)C2)CN1Cc1ccco1 570305943 WGYJPAQURKCEJY-RYUDHWBXSA-N 360.370 1.123 0 40 FDAB Cc1ccc(CNC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)cc1 49411141 SWYCTYXEVNCWAP-UHFFFAOYSA-N 356.426 1.013 0 40 FDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(Br)c1 225962303 XKUOTTNWONLDNF-UHFFFAOYSA-N 350.238 1.126 0 40 FDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)nn1 225464709 AOQSUBMKTWOXID-AWEZNQCLSA-N 367.413 1.523 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1nccn1C 574350453 UCSQMFSHDKCVOO-WMLDXEAASA-N 351.410 1.851 0 40 FDAB CCN1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@]2(C)CO 514290077 SHPABTILBZLPFG-WMZOPIPTSA-N 351.878 1.553 0 40 FDAB biogenic,in-vitro CN1CCC(n2nc(-c3ccccc3)nc2Cn2ccc(=O)[nH]c2=O)CC1 96136746 IDGMGNRVVZERNK-UHFFFAOYSA-N 366.425 1.110 0 40 FDAB O=C(O)CC1(NS(=O)(=O)c2cnn(-c3ccccc3)c2)CCOCC1 579828821 SLKYACZHQJQPSG-UHFFFAOYSA-N 365.411 1.175 0 40 FDAB CN(CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)S(C)(=O)=O 331465455 LFADBGAVHRGDKR-CMPLNLGQSA-N 351.255 1.857 0 40 FDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96206959 GGDHLDCNMARSKE-AEFFLSMTSA-N 350.415 1.882 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)no1 96244087 RDCWXMMUQCBQND-IBGZPJMESA-N 369.425 1.909 0 40 FDAB COc1cc2ncn(CC(=O)NCCc3ccco3)c(=O)c2cc1OC 95474502 NQCHRALRDNDRGG-UHFFFAOYSA-N 357.366 1.366 0 40 FDAB Cc1noc(CCCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524733117 WBVLMRIMPUWETP-URKNILKWSA-N 370.409 1.537 0 40 FDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccccc2OCC(=O)O)n1 257277185 NWTXQYHSQVNJRY-OAHLLOKOSA-N 359.382 1.528 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3OC[C@H](CCOc4nccc(C)n4)[C@@H]3C2)on1 253600299 MUSCGDQDJRIJRW-DZKIICNBSA-N 358.398 1.638 0 40 FDAB Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N(CCO)CCO)cc12 255187910 HOBQWULSAZUKJD-UHFFFAOYSA-N 350.396 1.144 0 40 FDAB COC(=O)C1(CNC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CCCC1 618202270 PFCBZAZKLOVDQZ-CYBMUJFWSA-N 360.476 1.329 0 40 FDAB COc1cc(CS(=O)(=O)N2CCO[C@@H](c3cccc(O)c3)C2)sn1 641384135 FHNHVNANKMPTJV-CQSZACIVSA-N 370.452 1.761 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc(C2CC2)c1 656857669 OCZYXEVZRNBYAN-KSSFIOAISA-N 353.426 1.925 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(C)cc2)CCO1 643846480 RAVIJSPVCLMVOG-BZSNNMDCSA-N 374.437 1.259 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnn3C)C[C@H]1CN(C(C)C)C2 585108082 RVZFDBHEOSWWMW-KXBFYZLASA-N 362.474 1.546 0 40 FDAB Cc1ccsc1CCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 675007975 INOUVQLMLHAZOR-CYBMUJFWSA-N 356.455 1.822 0 40 FDAB CC(=O)Nc1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1 634452 OORVQTNEXRBQGH-DHDCSXOGSA-N 363.402 1.719 0 40 FDAB CCOc1cccc(CN2C(=O)N[C@@H](Cc3cn(C(C)C)nn3)C2=O)n1 509059867 GMFFOAFTZZWURU-AWEZNQCLSA-N 358.402 1.316 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)CC1 5791928 MWPQREVCESGFQO-GOSISDBHSA-N 365.380 1.990 0 40 FDAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)N2CCCC2)C3)C1 19079427 FSIZJCAMKKZQAE-GOEBONIOSA-N 371.485 1.181 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406890 XJACGCFESIDEPK-QNWHQSFQSA-N 355.389 1.544 0 40 FDAB CC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694745 SZRZRLNSGGSBKX-OAHLLOKOSA-N 353.426 1.644 0 40 FDAB O=C1CCCN1Cc1cn(C2CN(C(=O)CSC3CCCC3)C2)nn1 225631948 CXPCZPXSKYXXEC-UHFFFAOYSA-N 363.487 1.460 0 40 FDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCC2)cc1 13371618 VOXTWBRBGVRQCA-HOTGVXAUSA-N 373.496 1.167 0 40 FDAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2cccnc2S)cc1F 36397593 QKRIPAORONEMPV-UHFFFAOYSA-N 369.443 1.990 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)CCC(F)(F)F)C[C@H]4C3)nn12 1888843495 DNHUTWOPKHPUPL-VXGBXAGGSA-N 368.363 1.670 0 40 FDAB CCOC(=O)N1CCN(CC(=O)N2CCN(c3ccccc3C)CC2)CC1 36011812 CAHXGWNLGVNEJQ-UHFFFAOYSA-N 374.485 1.418 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(Cc4c(C)nn(C)c4C)C[C@@H]32)cs1 2056224416 IRDYGOFLZZHNMT-ROUUACIJSA-N 361.515 1.887 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3C2)n1 2056224481 KEECNMRHAXCXLI-HOTGVXAUSA-N 374.466 1.581 0 40 FDAB O=C([C@@H]1CN(c2ccc(C3CC3)nn2)CCO1)N1CCC(F)(F)CC1 2087127718 KGUJSESAQXXRLW-AWEZNQCLSA-N 352.385 1.817 0 40 FDAB O=C(NC[C@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1)c1cc[nH]c1 1565548096 QZCVKQFPPLVFMC-CYBMUJFWSA-N 357.414 1.282 0 40 FDAB NC(=O)c1nc(-c2ccccc2O)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338301 KVYKZCXDULOHQJ-UHFFFAOYSA-N 365.324 1.719 0 40 FDAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 7419064 BMWXZQAMDVWWLW-UHFFFAOYSA-N 353.382 1.762 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc3nncn3n2)CC1 13700289 CFOQWWKBVQKANJ-UHFFFAOYSA-N 367.369 1.207 0 40 FDAB CCCS(=O)(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055772691 QHWPOVUSYRBINU-LLVKDONJSA-N 367.427 1.384 0 40 FDAB Cn1ncc2c(N3CCN(c4ccc(Br)cn4)CC3)ncnc21 29624996 CMBSMFQEGSGBTD-UHFFFAOYSA-N 374.246 1.847 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1c(C)noc1C 7057039 ONTGUXSZVGWILG-UHFFFAOYSA-N 373.456 1.651 0 40 FDAB NC(=O)c1ccc(-c2nnn(C[C@H](O)COc3ccccc3F)n2)cc1 40050230 IEXZOTRKLWFWNY-ZDUSSCGKSA-N 357.345 1.018 0 40 FDAB O=C(c1csc(-c2ccco2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40052308 XCAPRRZCVSIOCY-AWEZNQCLSA-N 361.423 1.867 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1cccnc1 40285509 VMJROCNFXOSZSE-UHFFFAOYSA-N 370.428 1.966 0 40 FDAB O=C(Nc1nnc2ccccn12)C1CCN(C(=O)c2cccnc2)CC1 30711645 ULURVRDCXCGGKV-UHFFFAOYSA-N 350.382 1.615 0 40 FDAB O=C(COC(=O)Cn1cccn1)Nc1ccccc1C(=O)NC1CCCC1 11118432 WKQYYQJTPGOTRK-UHFFFAOYSA-N 370.409 1.737 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 3368493 OMOWOWVCENVORO-UHFFFAOYSA-N 368.436 1.015 0 40 FDAB COCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548280 CRMMGIAVJUNCAL-ZKNHNOBHSA-N 371.437 1.100 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 101021097 IUOAIADSKHKEMQ-MWLCHTKSSA-N 350.718 1.032 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccccc1 32770796 QCMJXECXWJWTRP-CQSZACIVSA-N 352.350 1.474 0 40 FDAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1 9577978 XBQGWMIGRGXNGF-FQEVSTJZSA-N 374.404 1.946 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Br 100184983 ZHPPUSPCAJHRPV-JUFZMCDQSA-N 350.168 1.254 0 40 FDAB NC(=O)C1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 22892792 RNMXYFLKVTVEEV-UHFFFAOYSA-N 363.418 1.627 0 40 FDAB NC(=O)NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25436650 XAKXTTOGHLFIDD-UHFFFAOYSA-N 352.438 1.589 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Oc1ccccc1C(N)=O 60127391 AOLOILJPIZENBI-UHFFFAOYSA-N 374.418 1.988 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3CCc4sccc4C3)cc2N1 26113136 RNZVLURQGSBBNE-UHFFFAOYSA-N 350.421 1.826 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473297 UVPMZKXACGYTSP-UHFFFAOYSA-N 371.462 1.992 0 40 FDAB COc1ccc(CNC(=O)CN2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12597406 ITIJXWZFYCESMV-KRWDZBQOSA-N 355.394 1.064 0 40 FDAB CCC[C@@H]1CCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 57931150 LDXDTVJHGJHEFU-CYBMUJFWSA-N 360.501 1.925 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCOc2ccc(Cl)cc2)c1 12774800 TZHHCHUJNLHBBV-UHFFFAOYSA-N 356.831 1.831 0 40 FDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)c1ccccc1 48286720 WAPWKDHVZPXLNW-GFCCVEGCSA-N 356.444 1.490 0 40 FDAB C[C@H](c1ccccc1)N(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 15523742 OGNOLEZWJKOMFO-CQSZACIVSA-N 358.442 1.965 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3460902 KYCJSAUITQYVPP-HNNXBMFYSA-N 368.231 1.741 0 40 FDAB CCN1CCN(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)CC1 22585836 QXOXCPWGXUZQIP-SFHVURJKSA-N 374.485 1.171 0 40 FDAB O=C(NCc1cn2ccccc2n1)c1ccccc1CN1C(=O)CNC1=O 23754659 MGPWNMCBUXKGFH-UHFFFAOYSA-N 363.377 1.316 0 40 FDAB NC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O 8005406 XSJIIVRHXFFLDK-UHFFFAOYSA-N 360.993 1.407 0 40 FDAB CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2ccccc21 4545105 UCUBESDGMJFTCA-LJQANCHMSA-N 357.362 1.958 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)Oc1cccc(CC(N)=O)c1 61104256 ONIIPFBSAOXYTC-UHFFFAOYSA-N 351.362 1.338 0 40 FDAB COc1ccc(C2(CN3C(=O)[C@@H]4CCC(=O)N4C3=O)CCOCC2)cc1 8765131 QPXACUFEPMSKPL-HNNXBMFYSA-N 358.394 1.697 0 40 FDAB biogenic Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)N(C)C)CC1 70751357 HHDPAUFBJIZQQE-UHFFFAOYSA-N 352.456 1.339 0 40 FDAB COCc1nc2nc(SCC(=O)OC)nn2c(N)c1-c1ccccc1 20676235 CGAUGONGOPVLFV-UHFFFAOYSA-N 359.411 1.785 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059763 AFZNVVFRJVVMLZ-AWEZNQCLSA-N 366.425 1.894 0 40 FDAB O=C(NC1CCCCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9154058 YDSSFLPTHGIFAB-CQSZACIVSA-N 369.487 1.381 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C(C)=O)cc2)c2ccccc2O1 9335563 DQQIRZZTBBRGFB-GOSISDBHSA-N 368.389 1.808 0 40 FDAB O=C(NCc1ccccc1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 97019979 RGPDAKIZWIZZCZ-INIZCTEOSA-N 351.472 1.137 0 40 FDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 79092633 IKLDFEZJQGXDNC-AWEZNQCLSA-N 366.439 1.633 0 40 FDAB C[C@H](OC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)Nc1ccc(C(N)=O)cc1 95454605 JCVNKNUBQBFKOG-VOJFVSQTSA-N 361.398 1.105 0 40 FDAB COCCNS(=O)(=O)c1c[nH]c(C(=O)OCCc2ccc(F)cc2)c1 79110462 PJDBPGGNOGMDEN-UHFFFAOYSA-N 370.402 1.478 0 40 FDAB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 36079407 QJPFBZSKUFGFCC-LJQANCHMSA-N 359.495 1.954 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)C1CCC(OC(F)F)CC1)CC2 552294026 CVGMKPZOTWMKJN-MOENNCHZSA-N 358.389 1.654 0 40 FDAB COc1ccccc1CNC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1 35485440 SUPPQMCVIBMPTE-KRWDZBQOSA-N 353.422 1.142 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182876 RKGHYYWVKZDMBG-UHFFFAOYSA-N 356.385 1.084 0 40 FDAB O[C@@H]1CO[C@H](c2ccccc2)O[C@@H]1[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O 4353279 NVEGGHPETXMRSV-MUJBESKKSA-N 358.390 1.937 0 40 FDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCNc2ccc(C)nn2)cc1Cl 35597955 QDUWITHFFXGVQO-UHFFFAOYSA-N 356.835 1.837 0 40 FDAB COCCNC(=S)Nc1nc(OC)cc(N2CCc3ccccc3C2)n1 225897113 XRDCGBOCISBNCS-UHFFFAOYSA-N 373.482 1.981 0 40 FDAB Cc1nc([C@@H]2CCN(C(=O)N=c3nc(Cc4ccc(F)cc4)[nH]o3)C2)n[nH]1 572824498 QGSFIMPILBMPJF-GFCCVEGCSA-N 371.376 1.669 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 195481485 RHIBFIXSUVNZIM-DPDCMNJDSA-N 354.362 1.219 0 40 FDAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)NCc2cccs2)cc1 75155579 UZDMDXLFIVIWSZ-SFHVURJKSA-N 362.451 1.483 0 40 FDAB CN(CCc1nccs1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 190288427 HAAUEFHQHHZXMO-GJZGRUSLSA-N 363.483 1.585 0 40 FDAB COc1ccccc1N(CCCC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 224705039 UKBOABZWXJQVRI-AWEZNQCLSA-N 370.471 1.537 0 40 FDAB CC(=O)NCc1ccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)s1 579999056 YASALEPOPFRIRR-OAHLLOKOSA-N 363.483 1.761 0 40 FDAB Cn1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cn1 80332264 AEWICYXXKBWFQC-UHFFFAOYSA-N 367.409 1.874 0 40 FDAB Cc1ccn(-c2ccccc2NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)n1 575825485 OTLDBDPSQDUBER-GOSISDBHSA-N 368.397 1.339 0 40 FDAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@H](CN3CCOCC3)O2)C1 96160289 RWTYGNGLAUITAZ-AEFFLSMTSA-N 350.415 1.002 0 40 FDAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1 96103230 KRRRIWOZBKQEGH-AWEZNQCLSA-N 355.485 1.771 0 40 FDAB O=C1CCCN1Cc1ncn2c1CN(S(=O)(=O)c1ccccc1)CCC2 96259380 NQUJRCGFAXDFBI-UHFFFAOYSA-N 374.466 1.600 0 40 FDAB O=C(c1ccccc1F)N1CCc2ncnc(N3CCOCC3)c2CC1 96255731 PJBRIGSLTZYREW-UHFFFAOYSA-N 356.401 1.693 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 246669820 PQDLOTZTSIUQSK-CABCVRRESA-N 372.469 1.584 0 40 FDAB O=C(CCc1cccc(F)c1)NC[C@]1(O)CCCN(c2ncccn2)C1 257261324 LGTQCZODKZTAOA-LJQANCHMSA-N 358.417 1.696 0 40 FDAB CCCn1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1 257242829 IEIZFYZXEOXEDW-GOSISDBHSA-N 358.446 1.187 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2ccnc2C)C1 257250648 JNKMYPMGAWBIRZ-LJQANCHMSA-N 357.458 1.072 0 40 FDAB COCc1ccc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cc1 257273965 NIYKXSNJTOYHCN-QGZVFWFLSA-N 357.410 1.802 0 40 FDAB O=C(CCOc1ccccc1)NC[C@]1(O)CCCN(c2cnccn2)C1 257334701 YHBIDBMMKUAVGV-LJQANCHMSA-N 356.426 1.393 0 40 FDAB CCN(CCO)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257248738 JEYXQXVOTZSCEG-PBHICJAKSA-N 368.861 1.717 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC1(F)F 673380012 LPNNKKOWCMBTFW-JOYOIKCWSA-N 350.362 1.797 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cc1 90608848 PGKROBHOZVPCJT-UHFFFAOYSA-N 354.428 1.215 0 40 FDAB NCc1cn([C@@H]2CCN(Cc3nc(-c4ccc(F)c(F)c4)no3)C2)nn1 631845315 YNQYHGZZDCSUJW-GFCCVEGCSA-N 361.356 1.512 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 96098107 IBAJEDNXIAVVRK-SNVBAGLBSA-N 353.849 1.156 0 40 FDAB O=c1cc2c(nn1CCNS(=O)(=O)c1ccccc1Cl)CCCC2 575608735 OVSYPFZXQNUQAM-UHFFFAOYSA-N 367.858 1.754 0 40 FDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095733 GNVDLPUAAXRQRH-OAHLLOKOSA-N 358.398 1.926 0 40 FDAB Cc1ccc(C)c(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 585112651 USAFMPPVDVVPLV-SFHVURJKSA-N 362.499 1.996 0 40 FDAB COc1ccccc1[C@@H](C)N(C)C(=O)NCCC(=O)N1CCN(C)CC1 46227133 VFNXEWBULGMOBE-OAHLLOKOSA-N 362.474 1.562 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C)s2)CC1 55930991 VEANIFGGXXJXLL-GFCCVEGCSA-N 352.460 1.049 0 40 FDAB CC(C)c1nc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cn1C 1565522535 SONLQDJZZAHMGD-CQSZACIVSA-N 356.492 1.029 0 40 FDAB OC[C@@H](O)[C@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]21 87492656 FMZUHGYZWYNSOA-RKGSWTEASA-N 358.390 1.937 0 40 FDAB in-vitro Cn1nc(CN2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1C(F)(F)F 1615002587 AVXVBTMYXUQGNF-OLZOCXBDSA-N 373.379 1.196 0 40 FDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 1615084276 JYNVTIUNTRGYCN-FQEVSTJZSA-N 372.469 1.719 0 40 FDAB COc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 1615143376 KAVLBMIOOADTBA-IBGZPJMESA-N 360.385 1.676 0 40 FDAB Cc1ccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)cn1 1549160474 DOCMPCCWQMTATH-MRXNPFEDSA-N 356.426 1.017 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)NC1=S 8106866 UXXFVWAZTTZINI-WMZJFQQLSA-N 370.814 1.588 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc4ccsc4c(=O)n3CC2)c(C)c1C 12746856 ISGQANUUJARKCP-UHFFFAOYSA-N 371.466 1.665 0 40 FDAB C[C@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 17074239 RERZAKSBNXNJPN-VOUTZNEASA-N 360.435 1.680 0 40 FDAB O=C1CCOC[C@]2(CN(C(=O)c3ccncc3)C[C@H]2c2ccccc2)N1 19373770 VCTDQUTVQDJTET-PXNSSMCTSA-N 351.406 1.597 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2 19661975 LXPPLPXRCKKELL-LBPRGKRZSA-N 372.391 1.908 0 40 FDAB CC1(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)CCC1 19749341 BKPWMQVBWGXZCT-UHFFFAOYSA-N 371.412 1.976 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 19819977 YIRBTFBBEBMWTN-LBPRGKRZSA-N 370.388 1.863 0 40 FDAB CCN(CC(=O)N[C@H](C)COC)S(=O)(=O)c1ccc(OC)c(C)c1 19929945 ILLUHSUSWMILHV-CYBMUJFWSA-N 358.460 1.165 0 40 FDAB COc1c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cnc2c1cnn2C 680042291 IAYNBDZFWBYSPS-UHFFFAOYSA-N 370.388 1.473 0 40 FDAB Cc1cc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)ncn1 1888866659 ZDMJVUSNXHTDQQ-IRXDYDNUSA-N 358.467 1.683 0 40 FDAB Cc1ccccc1C(=O)N1C[C@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888890187 USPQVUFJOOZOQW-HZPDHXFCSA-N 362.437 1.950 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@@H]4C3)nn12 1888904327 WGQFVWDSVLILDY-GJZGRUSLSA-N 363.425 1.290 0 40 FDAB CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(F)cc3)C2)NC(=O)NC1 29538809 HXXKZJDZBBXWSM-MRXNPFEDSA-N 363.389 1.329 0 40 FDAB COC1(CC(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)CCC1 1565544812 SGBYYKHRLNICCG-UHFFFAOYSA-N 360.458 1.200 0 40 FDAB Cc1cc(Sc2nc(N(C)C)nc(N3CCOCC3)n2)nc(Cl)n1 4498431 KGWQZIFXCKNWAU-UHFFFAOYSA-N 367.866 1.677 0 40 FDAB Cc1ccccc1NC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C 4942167 ZAYBGKXAKNRTHE-UHFFFAOYSA-N 370.434 1.671 0 40 FDAB O=C(NCCO)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4941750 JINSBBPZVGOHJR-UHFFFAOYSA-N 366.830 1.320 0 40 FDAB Cn1cc(C(=O)NC2CCCC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821177 JCQOPLQNHMUIBY-UHFFFAOYSA-N 366.421 1.749 0 40 FDAB COc1ccc(-c2cc(CC(=O)NCCCN3CCOCC3)no2)cc1 12866423 UAPILTQZJIZQEN-UHFFFAOYSA-N 359.426 1.731 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772975 FKIHKBLUUDJBGT-UHFFFAOYSA-N 366.412 1.772 0 40 FDAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(C(N)=O)cc3)cnc21 40074756 DHIQHFBZLNSJPN-UHFFFAOYSA-N 359.411 1.912 0 40 FDAB CCOc1ncccc1C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 11225473 NIBSMMLIVZMHOK-UHFFFAOYSA-N 369.468 1.722 0 40 FDAB CCOC(=O)COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1OCC 2488663 YXLYRWBDRGRGSP-XHDPSFHLSA-N 355.412 1.815 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@H]2C)cc1 2497735 ZJRZONWPQBLVMG-CQSZACIVSA-N 353.444 1.100 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCc2cccc3cccnc23)n(C)c1 32076220 RWUVZJSHDBVVNN-UHFFFAOYSA-N 372.450 1.454 0 40 FDAB COc1ccc([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)c(OC)c1OC 101414417 HZIGYSSFHKDELH-LBPRGKRZSA-N 357.362 1.872 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1 6763102 CFJXGHWCZTXIJJ-AWEZNQCLSA-N 362.451 1.721 0 40 FDAB O=C1[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@]14Br 101179039 GABJUTVSUROVBC-MMNYIMEXSA-N 362.017 1.331 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccccc1 8778222 DRGZCDRJQVCVQM-AWEZNQCLSA-N 373.478 1.444 0 40 FDAB CC[C@@H](C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946614 XACCCMKPYMKSIA-SECBINFHSA-N 356.473 1.228 0 40 FDAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 52823281 VBHNNLYTTQTIBO-UKRRQHHQSA-N 356.513 1.849 0 40 FDAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2c1cccnc1 9265085 ZSLPISOHWZAGGZ-KRWDZBQOSA-N 367.457 1.351 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)Cc1ccccc1 41617560 ZYRNJQKZAWOLIO-UHFFFAOYSA-N 363.483 1.701 0 40 FDAB Cc1cn([C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c(=O)[nH]c1=O 820566 DWGOTSMHXCYCBW-MRVPVSSYSA-N 356.637 1.876 0 40 FDAB biogenic Cc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1 845752 KUUPZFMUWYODRB-UHFFFAOYSA-N 364.409 1.583 0 40 FDAB CCOC(=O)N1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 23003900 XAYRWNMUUYMXIS-UHFFFAOYSA-N 362.430 1.177 0 40 FDAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1C(F)(F)F 20635129 MFAVDFJJNUTTEO-ZJUUUORDSA-N 362.329 1.719 0 40 FDAB O=C(CN1CCN(Cc2cccc3cccnc23)CC1)N1CCOCC1 25435003 ISTXXQKVSYTZBY-UHFFFAOYSA-N 354.454 1.211 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccnc2N2CCOCC2)C1 12595083 YWRUTOBHPLPCFS-GASCZTMLSA-N 361.442 1.580 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 57704649 FFBRPWQFJPUVDU-ZDUSSCGKSA-N 367.446 1.335 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 58184099 ZCOJALZXXJWHNU-UHFFFAOYSA-N 365.455 1.008 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 58172963 RCHSTLZAMYETJO-UHFFFAOYSA-N 360.501 1.195 0 40 FDAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NS(C)(=O)=O 2211281 HZVMSGXDARTRFH-UHFFFAOYSA-N 359.407 1.981 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)CCCC3 2341293 OOQCVYLJVIXUMC-UHFFFAOYSA-N 358.471 1.818 0 40 FDAB Cc1c(CCC(=O)NCCc2ccsc2)c(=O)[nH]c2c1c(O)nn2C 48341194 FKZDFTLSFGBDJY-UHFFFAOYSA-N 360.439 1.629 0 40 FDAB CCN1C[C@H](C(=O)O)C(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 13692471 QRDKWRSKLQHSFK-ZDUSSCGKSA-N 363.389 1.218 0 40 FDAB C[C@@]1(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 23743391 GTHBHBXEQKIWDK-LLVKDONJSA-N 358.268 1.849 0 40 FDAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C1=NNC(=O)CC1 4334295 GZKHHUWBHWVLFV-QMMMGPOBSA-N 353.762 1.485 0 40 FDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCCCC2)C1=O 5218719 UXOICPMEFABVCO-QGZVFWFLSA-N 351.353 1.744 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(N2CCCC2=O)c1 14086486 YPNKIZAAFPRJTK-UHFFFAOYSA-N 370.409 1.713 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)N(C)CC(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 14092909 XBOCJCOCMXXBOM-MJBXVCDLSA-N 351.422 1.720 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N1CCCCC1 14241949 PVFMQUBNPMZEAX-DZGCQCFKSA-N 350.415 1.978 0 40 FDAB CCCOc1ccc(NC(=O)COCC(=O)NC[C@@H]2CCCO2)cc1 4682635 NNRNCFHDRWIPOY-INIZCTEOSA-N 350.415 1.726 0 40 FDAB O=C(/C=C/c1cc(F)cc2c1OCOC2)N1CCN(c2ncccn2)CC1 8881877 OCRGLDVAWFIJAO-NSCUHMNNSA-N 370.384 1.844 0 40 FDAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)s1 306143657 YIFPJLJCLKUFFD-CHWSQXEVSA-N 357.483 1.845 0 40 FDAB Cc1ccccc1-n1ccn(CC(=O)NCc2ccc(F)cc2)c(=O)c1=O 67320640 GERHDFVANJXGRZ-UHFFFAOYSA-N 367.380 1.763 0 40 FDAB COc1ccc(CNC(=O)c2snc(C(=O)NCC3CC3)c2N)cc1 67335018 RGBSCQLPSPTMLY-UHFFFAOYSA-N 360.439 1.804 0 40 FDAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 7411749 RBLBSXIIMBFGKI-HXUWFJFHSA-N 373.453 1.951 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)[C@H](C)Oc2cccc(C)c2)c(=O)[nH]c1=O 7799506 GRXPRAUMVFXCGB-ZDUSSCGKSA-N 374.441 1.658 0 40 FDAB CN1CCN(C[C@H](CC(=O)NCc2ccccc2Cl)C(=O)O)CC1 71283982 QKGFLHPISIZAPC-AWEZNQCLSA-N 353.850 1.295 0 40 FDAB COC[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9368263 KLTRZUWYKXWUKG-GFCCVEGCSA-N 365.455 1.933 0 40 FDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1nc(C2CC2)no1 84136921 FMTQJXIXFQVFDC-UHFFFAOYSA-N 358.442 1.896 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 20636279 LKVIAWSGZJWYPJ-ZETCQYMHSA-N 360.226 1.803 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](C)N2CCN(C)CC2)c1C 97598540 RAFDRJJDJYAUGZ-HNNXBMFYSA-N 353.532 1.834 0 40 FDAB Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CNC(=O)C1 95467313 RVXAZHNIBYEWNE-JTQLQIEISA-N 350.216 1.717 0 40 FDAB CCC(C)(C)NC(=O)CONC(=N)[C@H]1COCCN1C(=O)OC(C)(C)C 95449563 DVUOAUPZULVSHZ-GFCCVEGCSA-N 372.466 1.426 0 40 FDAB Cn1c(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)nc2ccccc21 95473243 ROQIGUBQIQGALN-GOSISDBHSA-N 361.409 1.508 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)c(C)c1 408550814 FJKMLQXSWSVSTO-HNNXBMFYSA-N 354.472 1.121 0 40 FDAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 306140823 VEQNFULINXQBTL-NSHGMRRFSA-N 359.470 1.843 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 32641474 IZJCPHFPJKJNSQ-AWEZNQCLSA-N 373.858 1.461 0 40 FDAB COc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(OC)c1 408620374 IMDYNSAOZKEKBX-VJQGBAFWSA-N 353.374 1.897 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 3875871 NONJJLVGHLVQQM-XDYICZGBSA-N 364.423 1.086 0 40 FDAB biogenic,world CC(=O)NCc1cnc([C@H]2CCCN2S(C)(=O)=O)cc1C(F)(F)F 72356030 BZRZZKDZRQCPGQ-CYBMUJFWSA-N 365.377 1.833 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21 72265357 RHDTYGGITRDPAE-UHFFFAOYSA-N 350.400 1.766 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 73742967 PXGPEFAIBSIUOU-ZDUSSCGKSA-N 354.248 1.988 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 223278948 HVDIIPNENGTSMB-UHFFFAOYSA-N 360.435 1.558 0 40 FDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O 85436128 ZTMUUCBSZNSKNB-OAHLLOKOSA-N 354.414 1.574 0 40 FDAB biogenic,in-vitro Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C(=O)c2cccnc2)C3)n1 96110461 QCPISLZSYUODMJ-APWZRJJASA-N 354.410 1.880 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96055171 MKRDRCWIMCDNDE-NVXWUHKLSA-N 351.472 1.097 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4cnccn4)CCO3)C2)no1 96209225 MSCOOPOGXPIWRF-RDTXWAMCSA-N 357.414 1.327 0 40 FDAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(c3ncccn3)CC2)O1 96144767 QDAPBJJBULQWRR-HNNXBMFYSA-N 370.457 1.340 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)NCCCn2ccnc2)[C@@H]1c1ccc(F)cc1 96181793 BRWSHDWQBOJJBG-DLBZAZTESA-N 360.389 1.127 0 40 FDAB Cc1cccc(C(=O)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1 96049164 ZRDMJWOKGLLRMM-LJQANCHMSA-N 353.426 1.692 0 40 FDAB CC(=O)N1CC[C@@H](n2cccn2)c2cc(NC(=O)c3nc[nH]n3)ccc21 96087116 NWIRMPRRTQBFEW-OAHLLOKOSA-N 351.370 1.600 0 40 FDAB O=C(NCCCN1CCOCC1)c1nnn(Cc2ccccc2)c1Cl 96183320 UMALRHXHNNDXFO-UHFFFAOYSA-N 363.849 1.432 0 40 FDAB COCCNC(=O)C[C@H]1COCCN(Cc2ccc3c(c2)OCO3)[C@@H]1C 249702276 ZACZTPKLDSUDQH-ZBFHGGJFSA-N 364.442 1.405 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)[nH]n1 257274106 NJPCMEFFUBRPLE-CYBMUJFWSA-N 359.430 1.677 0 40 FDAB CC(=O)NC1CCN(C(=O)c2ccccc2-n2cnc(CN(C)C)c2)CC1 257233074 GNQPUNGVMUNDNG-UHFFFAOYSA-N 369.469 1.675 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@@H](Cc2cc(C(=O)N(C)C)ncn2)C1 257315212 VAKHXYCKYSFDED-AWEZNQCLSA-N 368.441 1.372 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257254536 KDNVNBXCGRMBSW-OAHLLOKOSA-N 359.430 1.680 0 40 FDAB CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc(-c2nnco2)c1 585084750 PUBZTGGYSRRZTB-CQSZACIVSA-N 350.444 1.841 0 40 FDAB CN1CCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ncnc3[nH]cnc13)CC2 1775992638 UEURIPPPUDYAMC-CKFHNAJUSA-N 369.473 1.455 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CCc1ccc2c(c1)CCO2 1775957179 HMGMAFSKGLYSNO-HOTGVXAUSA-N 358.442 1.943 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CN3CCC2CC3)ccc1C 601445328 BSURCXJBINBNKP-INIZCTEOSA-N 352.456 1.496 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(OCC(F)(F)F)cn1 616775263 FTDNALCWIFHCAT-YNEHKIRRSA-N 356.304 1.324 0 40 FDAB O=C1CC[C@@H]2CN(C(=O)[C@@]34CCC(=O)N3c3ccccc3S4)CC[C@@H]2N1 618214508 DOFCOBIFUSNWKU-NQCMUKECSA-N 371.462 1.743 0 40 FDAB N[C@H](c1cn(C[C@H](O)COc2ccccc2Cl)nn1)[C@H]1CCCO1 641204513 FYDGVAYLRKREQL-IUIKQTSFSA-N 352.822 1.550 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)CC1 653331802 WMNPODPHPKKTEN-JKSUJKDBSA-N 359.426 1.809 0 40 FDAB C[C@@H](NC(=O)N[C@H]1CCc2c(nnn2C)C1)c1ccccc1-n1cccn1 654490322 BBRLWVMSUDOONU-KGLIPLIRSA-N 365.441 1.919 0 40 FDAB CC[C@@H](CNC(=O)N1CCO[C@H](C(=O)O)C1)Oc1ccccc1Cl 666535076 TTZGMFZIKVCBCJ-FZMZJTMJSA-N 356.806 1.992 0 40 FDAB Cn1nnc2cc(C(=O)N3CCCNC(=O)[C@@H]3Cc3ccccc3)ccc21 294038580 FEBBXRLNASDPKH-SFHVURJKSA-N 363.421 1.542 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]2O1 585108683 XNILXDAENMRZIR-RCBQFDQVSA-N 370.384 1.874 0 40 FDAB CO[C@]1(COc2ccccc2C)CCN(C(=O)Cn2cccnc2=O)C1 585277850 WTBIXANUQBVLIM-LJQANCHMSA-N 357.410 1.248 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C[C@H](C)O1 42168965 PBOWNRASUWZIMH-KBPBESRZSA-N 369.487 1.847 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Oc2ncccc2Br)CC1 96097009 WKRAMNZYYZFRJR-UHFFFAOYSA-N 364.265 1.494 0 40 FDAB C[C@H](O)[C@@](C)(CNC(=O)c1cnnn1C1CCNCC1)Cc1ccccc1 662539876 NDYKVCPIWWUXFA-MGPUTAFESA-N 371.485 1.562 0 40 FDAB C[S@@](=O)(=S)OCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 1569985957 HEMRLNYUNOVYAV-DEOSSOPVSA-N 363.460 1.955 0 40 FDAB 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PQJQJIUVDYOGGR-NSHDSACASA-N 372.418 1.499 0 40 FDAB CCN1CCO[C@@H](CNCc2cn3cccnc3n2)[C@@H]1c1nccn1C 1775959031 CNUVVSFFSVIFNF-JKSUJKDBSA-N 355.446 1.014 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)c1cnn(C)c(=O)c1Br 602846763 SCMBHSHOAGOCCX-JTQLQIEISA-N 366.215 1.819 0 40 FDAB CNS(=O)(=O)c1ccc(CN2CC3(CCOCC3)CC[C@@H]2CO)cc1 625762311 SNLKAEHAFNTIDD-MRXNPFEDSA-N 368.499 1.348 0 40 FDAB CC(=O)Nc1nc([C@H]2CCCCN2CC(=O)Nc2ccn(C)n2)cs1 585271697 IQLYBZAOIONIBA-CYBMUJFWSA-N 362.459 2.001 0 40 FDAB Cn1ccc(CC(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2cccnc2)n1 585108802 MRVAVPRZOJSONA-LNLFQRSKSA-N 356.426 1.333 0 40 FDAB COc1cc(C)nc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 592209669 PAAURBRBWMEQPH-UHFFFAOYSA-N 367.453 1.505 0 40 FDAB COC(=O)C1=C(C(=O)OC)[C@@]2(OC(C)=O)C=C(OC(C)=O)[C@@H]1C(C)(C)C2 5052634 SYWZUHNZDYUYCY-SCLBCKFNSA-N 366.366 1.438 0 40 FDAB COc1ccc(OC)c(CC(=O)NCc2nc(-c3cccnc3)n[nH]2)c1 12114714 QUUUCEVXRVWSON-UHFFFAOYSA-N 353.382 1.743 0 40 FDAB O=C(O)c1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1N1CCOCC1 13388679 ROKYNMWYXSKGTI-OKILXGFUSA-N 358.394 1.901 0 40 FDAB CCCn1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 19654843 LHVZIFAVKICJOR-LBPRGKRZSA-N 371.397 1.451 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2ccccc2OC)no1 19660686 KXHOZNVHBCJULA-CYBMUJFWSA-N 358.398 1.415 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1CC(=O)N(C)Cc1ccccc1F 643826840 WLSVIDCYZIJRFU-GOSISDBHSA-N 351.422 1.011 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)NC(C)(C)C 7660627 CABANUNKOKOUMS-CYBMUJFWSA-N 360.458 1.597 0 40 FDAB COc1cnc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)cn1 2056224790 WBANAPGXTXNSDB-AWEZNQCLSA-N 371.466 1.370 0 40 FDAB O=C(CC1(O)CCC1)N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1 1565555214 AZQMBKHWWPADIC-OAHLLOKOSA-N 370.496 1.419 0 40 FDAB O=C(c1cn2cc(Cl)ccc2n1)N1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 1565552684 SNLFSHZSDYQEQG-CVEARBPZSA-N 360.845 1.923 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1cccc(F)c1 8954700 MURQVCLSZIFGMI-UHFFFAOYSA-N 363.370 1.621 0 40 FDAB COc1cc(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc(OC)n1 11765315 RRUAHISDILAENE-UHFFFAOYSA-N 373.413 1.857 0 40 FDAB O=S(=O)(C1CC1)N1Cc2nnn(CC3CC3)c2[C@H](COCC2CC2)C1 2055747732 QWWHELKVEHAHHX-AWEZNQCLSA-N 366.487 1.506 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCOC[C@@H]1c1nccc(=NC2CCC2)[nH]1 2055704337 NVJKYZCYJIUTCS-MRXNPFEDSA-N 355.442 1.724 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618474 WBSVSOHTVVIIPN-CYBMUJFWSA-N 367.409 1.616 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@](O)(c1cccs1)C1CC1 75155339 MYIFDWIDPXFGHS-SFHVURJKSA-N 362.426 1.917 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCc1ccccc1 40151591 FZJBYWQCYSWIKY-INIZCTEOSA-N 353.488 1.733 0 40 FDAB O=C(c1ccoc1)N1CCC[C@@H](C(=O)N2CCN(c3nccs3)CC2)C1 30584059 YMWFNPZSZOGNNL-CQSZACIVSA-N 374.466 1.937 0 40 FDAB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cc(=O)[nH]c2ccccc12 50320280 IVUZNJYYTJXJKF-IRXDYDNUSA-N 370.405 1.855 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccc2cccnc12 11224829 DUJWBCJIZJGMDL-UHFFFAOYSA-N 352.379 1.677 0 40 FDAB O=C(NCc1ccccc1Br)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4749917 ZFLPDMLARUAPFU-XQHKEYJVSA-N 352.184 1.720 0 40 FDAB COCCCNC(=S)N1CCC(NC(=O)NC2CCCCC2)CC1 4909919 GZFRZRJIKFYOCK-UHFFFAOYSA-N 356.536 1.994 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2ccccc2Br)n1 6593910 ACCKAAOASJCSSU-UHFFFAOYSA-N 369.248 1.972 0 40 FDAB CCN1CCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 6953325 JEFDBJKIBCPGOR-UHFFFAOYSA-N 359.879 1.270 0 40 FDAB COc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F 7360624 MDOWSFJPBJDDGN-UHFFFAOYSA-N 365.386 1.826 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1 2502117 NHTCOYCPJRZKLI-UHFFFAOYSA-N 366.464 1.648 0 40 FDAB CCS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 10119398 CZANMRUXVMVTPA-UHFFFAOYSA-N 358.485 1.573 0 40 FDAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 8196803 FKRLJEPKCUAHKM-UHFFFAOYSA-N 356.444 1.003 0 40 FDAB COc1ccccc1CCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8328449 CPRKCFSPMDCZET-UHFFFAOYSA-N 369.377 1.979 0 40 FDAB O=C(NCCCO)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 101451911 OMFCRMVVPPBROP-FSZRXZPDSA-N 362.813 1.125 0 40 FDAB Cc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1S(N)(=O)=O 32719000 ULZXJDAWSAWSBF-UHFFFAOYSA-N 353.425 1.007 0 40 FDAB C[C@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@@H](C)O1 32770431 GVAVHHQXLDPYBW-BETUJISGSA-N 356.430 1.723 0 40 FDAB COc1cc(CNC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1OCC(N)=O 18081667 HWSAZFPMIIIAMM-JNKARSBBSA-N 360.454 1.733 0 40 FDAB CN(C)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 103100764 DBVAKEJEAKDMHC-UHFFFAOYSA-N 357.458 1.529 0 40 FDAB O=C(N[C@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccco1 799223 JKDYPSHOZBSDBC-SECBINFHSA-N 370.551 1.568 0 40 FDAB Nc1nnc(SCc2cc(=O)n3nc(-c4cccnc4)nc3[nH]2)s1 100071829 TXKWGHBFWWMUEQ-UHFFFAOYSA-N 358.412 1.206 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CCCO2)c(=O)[nH]c1=O 23077465 GAPSJJBCMKPBNP-LBPRGKRZSA-N 352.435 1.087 0 40 FDAB Cc1cccc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)n1 108534795 QZTBFSDQGKBFDW-OALUTQOASA-N 352.438 1.901 0 40 FDAB COc1cc(C(=O)NCCO)cc(I)c1OC 107584212 XMNRPNPHNQWWEO-UHFFFAOYSA-N 351.140 1.031 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cccnc1-n1cccn1 24795862 MYJABGUROXYJDV-UHFFFAOYSA-N 360.377 1.363 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc21 43282363 AUAWNGXSKAMZDB-OAHLLOKOSA-N 369.425 1.837 0 40 FDAB CCOC(=O)/C(=C\NC1CCCCC1)c1[nH]c(=O)[nH]c1C(=O)OCC 1408291 VTAMJCTXSUUREC-BENRWUELSA-N 351.403 1.706 0 40 FDAB C[C@H]1c2cccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2O[C@@H]1C 35307983 FLGMNZNRQOXBMC-HZPDHXFCSA-N 371.481 1.951 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 26462572 AHUSJMZGCRTPDB-GFCCVEGCSA-N 373.240 1.852 0 40 FDAB CCCn1nc(C(=O)Nc2ccc(CC(=O)NCCOC)cc2)ccc1=O 48332276 VIEXKSGPFUCPIG-UHFFFAOYSA-N 372.425 1.211 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCC1 408600617 BFVNWBDDASIHHG-UHFFFAOYSA-N 351.472 1.167 0 40 FDAB CC(C)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371595 XIFCWLAMYWEJTQ-GJZGRUSLSA-N 363.476 1.401 0 40 FDAB CC[C@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O 6114507 SZGFRTCITXKILQ-ZDUSSCGKSA-N 373.409 1.782 0 40 FDAB C[C@@H]1O[C@H](C)CN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]12 5346696 ZLNABWVXZALNAF-XUJVJEKNSA-N 357.410 1.262 0 40 FDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NC[C@@H]1COc2ccccc2O1 6879137 BWQBNAWLACKBSL-CQSZACIVSA-N 369.356 1.435 0 40 FDAB NC(=O)C1(NCC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 84613289 XKEBFCQPCGGBNN-UHFFFAOYSA-N 356.451 1.920 0 40 FDAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Br 89091805 OQYKOUUELKAYIG-GZMMTYOYSA-N 351.241 1.994 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670192 WVQPXYTWLGXRJM-DVKYCARXSA-N 368.389 1.364 0 40 FDAB CN1CCCN(c2ncc3c(=O)n(-c4cccc(F)c4)c(O)nc3n2)CC1 67264308 RFKWPAYUSUULQP-UHFFFAOYSA-N 370.388 1.162 0 40 FDAB COc1cccc([C@H](NS(=O)(=O)c2sc(C)nc2C)C(=O)O)c1 547882751 YHVJSQQJAIOWCZ-LBPRGKRZSA-N 356.425 1.873 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218108340 QLIXGLJMKAXNKZ-QYZOEREBSA-N 361.463 1.881 0 40 FDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 39986865 LXIMZUPJARBTCK-UHFFFAOYSA-N 362.879 1.893 0 40 FDAB CC(C)(O)CN/C=C(\C(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 31672498 VHVMXANONLXMPZ-DRCAHHLTSA-N 366.458 1.705 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc(C)no2)n1 39982511 ZQKASHFRBYDKRX-UHFFFAOYSA-N 372.337 1.913 0 40 FDAB CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cncc(C(=O)O)c1 566180635 PXKYMYRDLXKMNQ-UHFFFAOYSA-N 350.396 1.999 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 40266507 YTRYPECJKOVIRF-UHFFFAOYSA-N 353.378 1.339 0 40 FDAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCc1ccccn1 49390127 XTVUDJVUGRIFKZ-UHFFFAOYSA-N 368.393 1.411 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)N1CCCCCC1 40286325 WKJXPGBSLQSZNB-UHFFFAOYSA-N 355.398 1.436 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3cccc(F)c3)ccc21 49544677 FVCTWEWYISWDAU-UHFFFAOYSA-N 356.357 1.271 0 40 FDAB CC1=C[C@]2(Nc3cc(C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40545613 OPLQQAQDTRYZKU-CQSZACIVSA-N 352.188 1.848 0 40 FDAB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 89212882 BQTNZKNALYHUAB-UHFFFAOYSA-N 368.455 1.959 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1ccccn1)CC2 96059496 OADQLAGKUWIADL-UHFFFAOYSA-N 364.409 1.203 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2COCc3c(-c4ccnn4C)nnn3C2)o1 96045668 BYLJLDGXUFAYDH-LBPRGKRZSA-N 356.386 1.156 0 40 FDAB O=C(c1cccs1)N1CCc2nnc(COc3cncnc3)n2CC1 96084589 MKQNLPQCPMZKHH-UHFFFAOYSA-N 356.411 1.407 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1COCC(=O)N1Cc1cccs1 90608498 DAUNUMZVKPWAAX-AWEZNQCLSA-N 374.418 1.885 0 40 FDAB Cc1cccc(CN2C[C@H]3OCCN(C(=O)c4cscn4)C[C@H]3C2)n1 96110917 DWZUQQVGIMFFQK-RHSMWYFYSA-N 358.467 1.820 0 40 FDAB COc1ccccc1CN1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 247968488 GYEVJLMANQAFHM-OAHLLOKOSA-N 350.484 1.860 0 40 FDAB O=S1(=O)CC[C@@H](COCc2ccccn2)C12CN(C1CCOCC1)C2 247322239 MHEQJEOVGHWIIY-HNNXBMFYSA-N 366.483 1.266 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(OC)cc(OC)c1)C2 247918766 ZXYRSKSVKWRQAZ-AWEZNQCLSA-N 355.456 1.339 0 40 FDAB COc1ncccc1CN1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 248036200 UTGCANOUPQILRJ-QGZVFWFLSA-N 358.442 1.381 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@H](c2nccnc2Nc2cnccn2)C1 257330417 XOHNELAXDYIYHZ-HNNXBMFYSA-N 367.457 1.812 0 40 FDAB CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257262598 LMAPZILQNXMTHM-OWCLPIDISA-N 354.458 1.609 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc1 257242020 IARYFIOHOGXUQU-GOSISDBHSA-N 355.442 1.964 0 40 FDAB Cc1n[nH]c(C)c1-c1nccnc1C[C@H]1CCN(S(=O)(=O)N(C)C)C1 257309539 UBHZOXWYDDOLPH-CYBMUJFWSA-N 364.475 1.154 0 40 FDAB O=C(O)[C@H]1CC12CCN(C(=O)[C@H]1CCN(c3ccc(F)cc3)C1=O)CC2 262443781 OFILNXDMJORTSE-HUUCEWRRSA-N 360.385 1.892 0 40 FDAB O=C(O)c1cccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 263421470 POIUFCCIYSPHAC-UHFFFAOYSA-N 359.333 1.977 0 40 FDAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 265238608 IHQBXPPJCLCYQI-AWEZNQCLSA-N 366.421 1.932 0 40 FDAB O=C(N[C@H](c1ccccc1)c1nn[nH]n1)c1cccc(N2CCNC2=O)c1 1115918694 ISGTZJJSOBQJMW-OAHLLOKOSA-N 363.381 1.249 0 40 FDAB COC(=O)[C@@H]1CCc2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C1 601043960 FQYHGWIAVPKCCA-GFCCVEGCSA-N 367.409 1.971 0 40 FDAB Cc1nc2ccnn2c(C)c1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 629267141 YCHWWUUYSMBRNG-SUMWQHHRSA-N 354.414 1.967 0 40 FDAB Cn1cc(N2[C@H](C(=O)N3CCCc4ccccc43)CC[C@@H]2C(=O)O)cn1 630651432 SMLROWWHKSRZPE-DLBZAZTESA-N 354.410 1.822 0 40 FDAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 631957457 USNMFDSJLHWFNJ-BRIYLRKRSA-N 364.511 1.504 0 40 FDAB Cn1cnnc1[C@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 1665266777 REIWVMPLWUFJQA-AWEZNQCLSA-N 357.439 1.784 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](OC2CCC2)C1 654557239 QHWHDJPPUIWPFW-BPUTZDHNSA-N 373.519 1.447 0 40 FDAB CSCC[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(N)=O 599135732 UGIFQCRFDPRKAZ-LBPRGKRZSA-N 360.418 1.949 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCc2ncc(CN3CCOCC3)n2CC1 585110654 VFMNBDQQBODOGM-UHFFFAOYSA-N 357.458 1.061 0 40 FDAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@@H]1CCCN(c2ncccn2)C1 58379817 OLLZVBGHISZDLT-LSDHHAIUSA-N 356.430 1.565 0 40 FDAB CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1Br 40156769 DSFXZUUIWJWUCR-UHFFFAOYSA-N 363.277 1.938 0 40 FDAB O=C(Cc1ccccc1F)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181450 HWNHXSHNQWVKPR-UHFFFAOYSA-N 356.401 1.637 0 40 FDAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 13636671 LUOXKFDDCSIAJQ-OAHLLOKOSA-N 360.410 1.556 0 40 FDAB CC(C)c1nn2c(=O)cc(CN3CCN(c4ncccn4)CC3)nc2s1 15731822 NRLUHBMVTNKYRW-UHFFFAOYSA-N 371.470 1.387 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 19705613 IRTVZCSDRGBGIR-OAHLLOKOSA-N 355.442 1.845 0 40 FDAB Cn1cnc(S(=O)(=O)NCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 206632956 PMNYULVORUQDNN-UHFFFAOYSA-N 366.487 1.031 0 40 FDAB Cc1ncnc(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)c1C 1888869713 URZWUTPNONIMQO-QZTJIDSGSA-N 372.494 1.991 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nc(C)cc(C)n5)C[C@@H]4C3)ncnc21 1888897436 FCHJOPDFUAGWIF-GJZGRUSLSA-N 364.457 1.826 0 40 FDAB Cn1cnc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)ncnc21 1889139005 BABUDYBNRBBGFD-UHFFFAOYSA-N 364.335 1.499 0 40 FDAB Cn1c(C(=O)N2CCO[C@@H](c3nccnc3N)C2)cc2cc(F)ccc21 1848353838 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C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2c(F)cccc2Cl)CC1 40162236 OIUAOTMWPYOXHG-CQSZACIVSA-N 369.868 1.844 0 40 FDAB COc1cccc(N2C(=O)C[C@H](NCc3ccc4c(c3)OCO4)C2=O)c1 100552031 OQPONCSSSJHFGI-HNNXBMFYSA-N 354.362 1.846 0 40 FDAB O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1cccnc1 31819813 XSEBQKNLCWDCOV-INIZCTEOSA-N 366.421 1.257 0 40 FDAB Cc1cc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)no1 2643433 QMGYESDPSXEFSJ-UHFFFAOYSA-N 369.381 1.780 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1 101658189 XUUGJNMYPCPYOE-AVGNSLFASA-N 368.393 1.690 0 40 FDAB O=C(Cc1noc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1)NCc1ccccc1 101638017 LTFUXICOVDQLPT-JYJNAYRXSA-N 366.421 1.871 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)cc1 8158169 LMKNDDFZFJLUFD-UHFFFAOYSA-N 352.456 1.980 0 40 FDAB CC(C)NC(=O)CNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 21557439 QEKZEVKIUXAHHJ-UHFFFAOYSA-N 372.425 1.503 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773050 GVEKQFZUZOCJLX-SKLAPFLYSA-N 352.431 1.485 0 40 FDAB Cc1ccc(C(=O)NCC(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1C 89643185 VBRFOGNFULEPLC-HNNXBMFYSA-N 356.426 1.905 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 52939048 KVNANBFRLRIGEC-AWEZNQCLSA-N 362.455 1.274 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 52940659 URIWUVJADRVHIR-DOMZBBRYSA-N 367.471 1.494 0 40 FDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCN1CCCCC1 53514576 BHGLHWXAWBITTH-UHFFFAOYSA-N 355.442 1.285 0 40 FDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1 106531245 DFESHQFESHDDKM-QMTHXVAHSA-N 362.398 1.888 0 40 FDAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 57669787 FZHYNYOZDRKSDL-OAHLLOKOSA-N 360.437 1.854 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1OC 101969225 SZOHAIPFLDCBAC-OTVXOJSOSA-N 359.430 1.813 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 26559987 ZHFOFCDHRHPETF-IBGZPJMESA-N 368.441 1.929 0 40 FDAB CC(C)C(=O)N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 57456833 ZCWXLPYDWALGSC-CQSZACIVSA-N 361.442 1.585 0 40 FDAB COCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 57411676 MJTAFTDKCWZWSQ-UHFFFAOYSA-N 355.243 1.522 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1ccco1 57835975 AGVDFSICZHROCB-AWEZNQCLSA-N 356.378 1.972 0 40 FDAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 17053706 JCGXRAFCCYHQHA-UHFFFAOYSA-N 366.830 1.277 0 40 FDAB COCCn1nc(C(=O)N2CCCCC[C@H]2c2cccn2C)ccc1=O 49590108 QQXTYCYSMAIDIH-KRWDZBQOSA-N 358.442 1.986 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC 13625596 NZYXEJQFJCVIAO-LBPRGKRZSA-N 367.471 1.691 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2cccc(C)c2)NC(=S)N[C@]1(O)C(F)(F)F 4269898 NYBXAAGEGZOEGZ-COPLHBTASA-N 362.373 1.944 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 5450142 TXJUWACSHGMDSO-IBGZPJMESA-N 373.409 1.585 0 40 FDAB O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1cccs1 4622892 NLZPLIKUUUNOAA-INIZCTEOSA-N 371.462 1.903 0 40 FDAB COc1cc(OC)c(OC)cc1CNCCCSc1nnnn1C 4993826 CKPGBETZOYAYSR-UHFFFAOYSA-N 353.448 1.508 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(N2CCCC2=O)c1 6987918 KUIUJTOFMHAEJA-CYBMUJFWSA-N 350.444 1.542 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(Cl)ccc1OC 15299298 HXIYGCDIBBVIJB-AWEZNQCLSA-N 374.890 1.474 0 40 FDAB CCc1ccc(-c2noc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1 7064847 KEXYDNVRNSZCHT-UHFFFAOYSA-N 366.381 1.094 0 40 FDAB CCCNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 8751926 HZKZNIGORSAVOT-UHFFFAOYSA-N 366.491 1.931 0 40 FDAB O=c1[nH]c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 15545379 MGJCDRVAOVFKFB-UHFFFAOYSA-N 361.379 1.818 0 40 FDAB Nc1cc(N)nc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1 7692773 DMVBIMDPPRWWGA-UHFFFAOYSA-N 362.434 1.221 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 8131428 HWYKKMSQAJVWKH-IBGZPJMESA-N 374.416 1.195 0 40 FDAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 9644101 QEBLGYPFQIEAHG-UHFFFAOYSA-N 359.415 1.689 0 40 FDAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1CCOCC1 9315235 BNGWRHNURPZNML-JTQLQIEISA-N 363.395 1.805 0 40 FDAB CCOc1ccc(OCCNC(=O)CN[C@](C)(CC)C(=O)OC)cc1 95398693 LNTJNTCATWOLTR-GOSISDBHSA-N 352.431 1.512 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)CC(F)(F)F)CC3)C2=O)cn1 95961344 LWBSAEURIMDPMX-CYBMUJFWSA-N 373.379 1.012 0 40 FDAB COC(=O)c1cccc(-c2nnn(CC(=O)Nc3cccnc3Cl)n2)c1 78876823 VRNCRTITHDZSLB-UHFFFAOYSA-N 372.772 1.814 0 40 FDAB CCn1c(=O)n(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)c2ccccc21 79110195 MPPUABLAFMLRFZ-MRXNPFEDSA-N 372.469 1.192 0 40 FDAB CNC(=S)NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1 408724379 DTCPOXBZYXMHIT-UHFFFAOYSA-N 366.454 1.623 0 40 FDAB Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2F)n(C)c1=O 62720374 XBOCZVRHIVEHDF-UHFFFAOYSA-N 367.178 1.384 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1 409093595 AOXTZHAUTAQWSZ-UHFFFAOYSA-N 361.423 1.186 0 40 FDAB Cc1ccc(C(=O)N2CCN(C(=O)NCCc3cnn(C)c3)CC2)cc1F 122627166 FBHWFIBBFUYURW-UHFFFAOYSA-N 373.432 1.578 0 40 FDAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 306131988 KVAODUMSORAYIE-APHBMKBZSA-N 368.430 1.084 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980236 XPCPOJQDHOMIHJ-AWEZNQCLSA-N 354.353 1.702 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccoc2)n1 548679697 NQSYSTXXCFDNRZ-KBPBESRZSA-N 362.409 1.552 0 40 FDAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35910686 KWQHSPZZIPROAQ-RQJABVFESA-N 358.329 1.058 0 40 FDAB O=C(CN1CC(=O)Oc2ccccc21)Nc1nnc([C@@H]2CCCO2)s1 71287770 QLHURVTWSMMHPL-LBPRGKRZSA-N 360.395 1.754 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C 75055158 XMKKUMHAEAXHNV-MRXNPFEDSA-N 366.483 1.624 0 40 FDAB CC(C)(C)CN1CC2(C1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](O)CN12 225386441 SBRICMFVNOKOBF-SJORKVTESA-N 371.481 1.091 0 40 FDAB biogenic,in-vitro Cc1cccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 44892089 VSXPVELIFILLRP-UHFFFAOYSA-N 353.426 1.853 0 40 FDAB CC1=CCN(CCNC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)CC1 568485844 MIXCOMFWSNDUDC-UHFFFAOYSA-N 355.504 1.391 0 40 FDAB C[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)c1nc(-c2ccccc2)no1 568793890 IURQSIANWBHKTN-BFUOFWGJSA-N 372.425 1.330 0 40 FDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCn2nnc3ccccc3c2=O)C1 47415776 MBCVDAWZPSAJPD-HOTGVXAUSA-N 371.485 1.666 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)c(O)n1 574710580 FIYNCRGJWJIBTN-ZDUSSCGKSA-N 352.398 1.773 0 40 FDAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)NC[C@@H]1CCCO1 77104322 WMXGOTDXWDIBAV-HNNXBMFYSA-N 365.499 1.339 0 40 FDAB CC(C)NC(=O)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96145467 WWKSCYZZWGZITF-HZPDHXFCSA-N 366.487 1.426 0 40 FDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCOCC1 96057225 YXPKMMHNPKUTPE-INMHGKMJSA-N 350.484 1.691 0 40 FDAB C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccnc3c2nnn3C)C1 333963923 OKTSLHQUBIEXQK-JTQLQIEISA-N 356.352 1.320 0 40 FDAB CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2 96069761 HGZIQCJWMUUXJJ-AWEZNQCLSA-N 357.414 1.419 0 40 FDAB Fc1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)cc1 247563594 ZNOUBTJUXXVMAQ-PMACEKPBSA-N 364.461 1.908 0 40 FDAB CCCCCCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(CCOC)n1 604382173 ITAHAILEKUKOCT-NCXUSEDFSA-N 365.518 1.736 0 40 FDAB biogenic,in-vitro Cn1cnc2c1[C@@H](C(=O)N1CCOCC1)CN(Cc1ccccc1F)C2 248061193 UPMJXCAYFUKRKE-HNNXBMFYSA-N 358.417 1.517 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)C1 249381552 BERWYFHREGPXLH-CPUCHLNUSA-N 360.458 1.345 0 40 FDAB COCCC(=O)N1CC[C@@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1 257209886 BSGVZWQPGXNUTD-CQSZACIVSA-N 360.458 1.267 0 40 FDAB CS(=O)(=O)N1CCC(c2cncc(-c3ccccc3C(=O)O)n2)CC1 257323527 WKQDVGOJDRDKJN-UHFFFAOYSA-N 361.423 1.981 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257266252 MCEFLEIMBCZWPF-INIZCTEOSA-N 356.430 1.408 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1cnc(C2CC2)nc1 257284824 PEMDIPRXMYPZDV-BRWVUGGUSA-N 354.410 1.840 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)C2CC2)CC[C@@]1(C)O 604383110 JVYKDWYIXJMAEZ-YQQAZPJKSA-N 352.456 1.314 0 40 FDAB biogenic,in-vitro Cc1cnc(C(=O)N2CC[C@H](Cc3cnc(-c4nccn4C)cn3)C2)cn1 257315658 VCHMTYZKFPPSIL-CQSZACIVSA-N 363.425 1.680 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(CCC(=O)N2CCCc3ccccc32)C1 643818871 WXHUCJCXCWBCJJ-FQEVSTJZSA-N 359.470 1.319 0 40 FDAB C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C[C@@H]1C(=O)O 659064589 OFNXWWLUSKFQLB-HZMBPMFUSA-N 357.366 1.036 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(CC2CCOCC2)Cc2cccn2C1 585095505 UMXIHOGYUHPWEN-INIZCTEOSA-N 355.504 1.286 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585288934 AWZCYOUISDUELA-GLCJEOIMSA-N 369.465 1.883 0 40 FDAB Cn1cccc1C(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585281749 ALGJQUDLYXIONQ-UHFFFAOYSA-N 351.409 1.057 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21 585112764 VZXDJLCHOVLGEZ-KRWDZBQOSA-N 364.453 1.994 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@H](C)C2 585098284 SZRMCJHKRVNBTB-GFCCVEGCSA-N 358.398 1.283 0 40 FDAB Cn1cnc(C(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@@H]3C2)n1 585107893 CCPMPEPSLBZEKY-HUUCEWRRSA-N 359.405 1.070 0 40 FDAB O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccn(-c2ccccc2F)n1 673831104 VDWCTZBCQBOHFD-MRXNPFEDSA-N 372.400 1.521 0 40 FDAB 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Cc1nnc2c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nccn12 1889116597 UQSXZNVFQKKYMB-UHFFFAOYSA-N 364.400 1.907 0 40 FDAB Cc1ncn(CC(=O)N2CC[C@@H](COc3ccc(F)cn3)C2)c(=O)c1C 1889136305 CMQBSGBCRTVXSK-CQSZACIVSA-N 360.389 1.322 0 40 FDAB O=C([C@@H]1CN(c2cnc3cc(Cl)ccc3n2)CCO1)N1CCOCC1 1889138951 MGBZCJDHEQDOIY-HNNXBMFYSA-N 362.817 1.347 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(C(=O)C3CC3)CC2)n1 32665168 ALKOWIUWDXEDTK-UHFFFAOYSA-N 367.457 1.560 0 40 FDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1csnn1)CC2 1146816776 VFZZXZWBAQONNS-LBPRGKRZSA-N 352.460 1.275 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 1565549646 XUIXKFCOJXWHAO-UHFFFAOYSA-N 357.454 1.490 0 40 FDAB O=C(CN1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1)N1CCCC1 1565542757 NUGHDZJBWHSFBU-OAQYLSRUSA-N 371.481 1.360 0 40 FDAB O=C1Cc2cc(C(=O)N3CCc4ncnc(NC5CC5)c4CC3)ccc2N1 1565555129 SVYFRTNXWDMSGA-UHFFFAOYSA-N 363.421 1.787 0 40 FDAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 4386558 FYERKAVPSKYPBV-UHFFFAOYSA-N 369.400 1.974 0 40 FDAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3)ccnc2n(C)c1=O 4942177 WGWFZYAIWDZZPF-UHFFFAOYSA-N 374.397 1.502 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(C3CCCCC3)o2)C1 13790710 ZWWCNMSNPOTBTO-LBPRGKRZSA-N 356.448 1.727 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1cccs1 13799750 RQCRCSDVBGGSJM-UHFFFAOYSA-N 365.436 1.933 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2cccs2)CC1 2055747073 CVOAEHPFJJZLMB-UHFFFAOYSA-N 361.471 1.243 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@]3(COCCN(c4cccnc4)C3)C2)n1 2055750674 PUWMPQFZHQTZTP-LJQANCHMSA-N 371.441 1.461 0 40 FDAB COCCNC(=O)Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 32090265 MPMUKKFZXWZMPV-UHFFFAOYSA-N 367.427 1.397 0 40 FDAB COc1ccc([C@H]2CCCCN(C(=O)CN(C)S(C)(=O)=O)C2)cc1 206883318 VBLWPFMNDQADTA-HNNXBMFYSA-N 354.472 1.683 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1F 390830823 NRWUNAUCJFSEBX-UHFFFAOYSA-N 364.421 1.582 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12 32459793 DSDLHYJBGKGUJY-ZIAGYGMSSA-N 351.414 1.613 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 40094724 XJJLXYPTWFJEIP-GFCCVEGCSA-N 357.303 1.891 0 40 FDAB COC(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)nc1 40062227 FGBAAIYHYZOJTA-UHFFFAOYSA-N 374.349 1.924 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccnc2N2CCOCC2)n1 40121604 QFXVHGPQAAYZBR-AWEZNQCLSA-N 357.458 1.798 0 40 FDAB COC(=O)Cc1cc(C)n(C)c(=O)c1CN1C(=O)c2ccccc2C1=O 1728028 STCPSPQPBODBCW-UHFFFAOYSA-N 354.362 1.205 0 40 FDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(N)n2)c1 3545085 FOFIRDAYFLHLJB-UHFFFAOYSA-N 361.836 1.175 0 40 FDAB CCSC(SCC)[C@H](NC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](O)CO 4963060 CPZZZXVMPRHIAW-FVCCEPFGSA-N 367.533 1.197 0 40 FDAB COCCNC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1O 6914514 XBPLVXNCUPYDJJ-BJMVGYQFSA-N 355.188 1.833 0 40 FDAB Cc1ccccc1N(CC(=O)NCCCN1CCCCC1)S(C)(=O)=O 10277794 QQKXPMQGWPPOID-UHFFFAOYSA-N 367.515 1.753 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1 32876438 QJZWOVDHUZOMIV-UHFFFAOYSA-N 359.382 1.220 0 40 FDAB COc1ccc(-c2csc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 32912360 PKYIGPKRBXVHFP-FZMZJTMJSA-N 364.448 1.969 0 40 FDAB CSc1ccc(N2C[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 32909596 PPAWLQVFNJPDOA-VXGBXAGGSA-N 368.480 1.065 0 40 FDAB CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(n1)c(C)nn2C 28557567 ZFPUWBJAMLUKEW-UHFFFAOYSA-N 354.414 1.790 0 40 FDAB COc1ccc(S(=O)(=O)NC2=NS(=O)(=O)c3ccccc32)cc1 59488057 GKMANMWUNDLPGA-UHFFFAOYSA-N 352.393 1.123 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)C1 100128837 YWMLTYUQXPFEHA-MWDXBVQZSA-N 360.502 1.739 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(Br)c1 100521194 FIMAFPQESYXHQJ-WTTBSCSTSA-N 361.195 1.901 0 40 FDAB O=S1(=O)CC[C@@H](N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 23253204 ZCPXIPBNYREKGC-OAHLLOKOSA-N 368.890 1.292 0 40 FDAB COc1ccccc1CNC(=O)Cn1cc(Br)ccc1=O 8340210 WCUWQQWLYDJUQN-UHFFFAOYSA-N 351.200 1.936 0 40 FDAB CCOC(=O)C1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 23995804 SYQFZJZRWLIUAH-UHFFFAOYSA-N 351.447 1.720 0 40 FDAB Cc1ccc(-c2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n2)cc1 44804031 MRPJJFHMHRLRSL-UHFFFAOYSA-N 364.361 1.981 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3329826 NRXIIUIWFLTDTB-CYBMUJFWSA-N 363.377 1.797 0 40 FDAB CC(C)(C)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3340156 YWVVDQRGMQFFPY-UHFFFAOYSA-N 369.439 1.480 0 40 FDAB CC[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 36330088 JGNLMGOSRAOVNA-ZWNOBZJWSA-N 370.500 1.909 0 40 FDAB Cc1ccnc2nc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)nn12 12761918 JTYAFELPGKYQDC-UHFFFAOYSA-N 364.287 1.219 0 40 FDAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CC3)n2N)cc1 12721781 YFNSRVSHTYDXDZ-JTQLQIEISA-N 360.443 1.436 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 3484713 HYSMMNKJWBHBLA-UHFFFAOYSA-N 374.324 1.466 0 40 FDAB COC(=O)c1cc2ccccc2cc1OCC(=O)N(C)CC(=O)NC1CC1 12983081 ZAFVKNQQRNSQCN-UHFFFAOYSA-N 370.405 1.742 0 40 FDAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC1=O)c1ccccc1 64092504 WYCIRZMYUALWEF-ZWKOTPCHSA-N 365.433 1.423 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)COC)cc1C 13858182 PBUYYHXXZGNOJO-CQSZACIVSA-N 372.487 1.555 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 14136490 SWKDILQNBJFGGS-QGZVFWFLSA-N 353.369 1.894 0 40 FDAB Cc1ccccc1NC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O 7994956 GIIGWWSSMORIEH-UHFFFAOYSA-N 356.407 1.812 0 40 FDAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 9601517 CKEIXWYQXPDRHL-UHFFFAOYSA-N 365.861 1.628 0 40 FDAB CCN(CC)C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 96000358 XAIPAWWITMUMOR-KRWDZBQOSA-N 366.506 1.236 0 40 FDAB Cn1c(SCC(=O)c2ccccc2)nnc1[C@H]1CCS(=O)(=O)C1 9390287 FHTUKTKEALNJQA-LBPRGKRZSA-N 351.453 1.692 0 40 FDAB CN(C)C[C@@](C)(O)CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 89901151 XCWQTWKMYXKBTH-KRWDZBQOSA-N 356.417 1.999 0 40 FDAB CONC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C1CCCCC1 97212483 BBFACQKJGHJQTF-CQSZACIVSA-N 351.428 1.352 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 95430230 KUQFCOYDXHYSAR-WBVHZDCISA-N 350.459 1.515 0 40 FDAB N[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 85368362 KXCWCPJHGPWZCJ-OLZOCXBDSA-N 353.264 1.620 0 40 FDAB COC[C@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 408601485 ACQGZFRCPSOLTR-JTQLQIEISA-N 364.851 1.266 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)s1 31816319 PNOYNEZITUOCCS-VIFPVBQESA-N 350.375 1.815 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N3CCN4CCC[C@H]4C3)c12 36619103 OTSOYCSKPCEODX-AWEZNQCLSA-N 366.425 1.852 0 40 FDAB CCC(CC)(CC)C(=O)N[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C 1513287284 QUHHLHCMYQOJAE-BZUAXINKSA-N 354.491 1.971 0 40 FDAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-n2ccnc2)nn1 522591717 XXRWMEIPISJHKV-LLVKDONJSA-N 354.336 1.276 0 40 FDAB CNC(=O)c1ccc(CNc2nccc(-c3cc(C(=O)O)ccn3)n2)o1 72417795 ZWXNILHWJJCEPV-UHFFFAOYSA-N 353.338 1.802 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cn3cc(C)ccc3n2)c1 31646463 ZSWNEFDSFWKEPS-UHFFFAOYSA-N 374.466 1.883 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70968798 ADSFDZKVNLECDK-NRFANRHFSA-N 368.433 1.725 0 40 FDAB CC(C)N(C(=O)CS(=O)(=O)Cc1nnnn1C1CC1)c1ccccc1 46113660 PCELXFNKGRMCHO-UHFFFAOYSA-N 363.443 1.364 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2C)s1 225860640 BFVSPXJBAFYJTF-SNVBAGLBSA-N 370.456 1.551 0 40 FDAB C[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc(S(N)(=O)=O)cc1 43360250 GXVSEYWDCTUZRE-MRVPVSSYSA-N 367.456 1.946 0 40 FDAB O=C(Nc1cnc2ccnn2c1)c1ccccc1S(=O)(=O)C(F)F 225574308 ATRLNLGADCNRIE-UHFFFAOYSA-N 352.322 1.978 0 40 FDAB COc1cc(NC(=O)N2CCN(CCn3cccn3)CC2)cc(OC)c1 75156480 NTRSVMVEPVMRPB-UHFFFAOYSA-N 359.430 1.750 0 40 FDAB O=C(NCc1ccccc1)N1CCN2C(=O)N(Cc3cccnc3)C[C@H]2C1 85436061 IGVOXCXUCVDECF-GOSISDBHSA-N 365.437 1.913 0 40 FDAB biogenic,in-vitro O=C(CNC(=O)c1cnccn1)Nc1ccc(-c2nnc3ccccn23)cc1 95480863 LPSBJYFOZAFVNC-UHFFFAOYSA-N 373.376 1.555 0 40 FDAB Cc1nc([C@@H]2COCCN2S(=O)(=O)c2c(C)nn(C)c2C)cs1 96219636 LTDRPJCYMCHMDJ-ZDUSSCGKSA-N 356.473 1.564 0 40 FDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)nn1 96073795 PXEKJIHYFCZIMQ-BBRMVZONSA-N 352.460 1.313 0 40 FDAB CC(C)(C)OC(=O)N1CCN(c2cc(N)cc(S(C)(=O)=O)c2)CC1 98181666 GGMLBPLMIQUIST-UHFFFAOYSA-N 355.460 1.729 0 40 FDAB Cc1cc(C(=O)N2Cc3cncn3[C@@H](CCNS(C)(=O)=O)C2)c(C)o1 247558873 YCNVXHHIJWSVBD-ZDUSSCGKSA-N 366.443 1.229 0 40 FDAB COC(=O)c1ccc2nc(CNC(=O)[C@H]3CCCc4n[nH]cc43)[nH]c2c1 584179543 FKFWASQFLBJDGB-NSHDSACASA-N 353.382 1.809 0 40 FDAB Cc1cc(C(=O)N2CCC[C@](C)(c3nc(C)c4c(n3)N(C)C(=O)C4)C2)no1 257283159 OWYAKPMDBQSKSC-IBGZPJMESA-N 369.425 1.794 0 40 FDAB O=C(Nc1ccc(F)cc1N1CCOCC1)N1CCC[C@H]1Cn1ccnn1 584515361 IVGISKYLRPJXPZ-HNNXBMFYSA-N 374.420 1.950 0 40 FDAB CCc1noc(CCC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)n1 257219772 DIBYQUOPMLFPDD-GOSISDBHSA-N 359.430 1.107 0 40 FDAB CC(C)[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCS1(=O)=O 262231773 YPNLMTOXGBCGPZ-CQSZACIVSA-N 354.428 1.061 0 40 FDAB Cc1nnc(CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)s1 271480861 XTGXGECWJXRTKB-UHFFFAOYSA-N 356.455 1.813 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)Cn2c(=O)cnc3ccc(Cl)cc32)C1 629193505 YHURRHOHPHJNLR-CYBMUJFWSA-N 362.817 1.177 0 40 FDAB CN1CCN(c2ncccc2CNC(=O)C2(C(=O)O)CCCCCC2)CC1 663060031 GOLFFLIMAZNBNG-UHFFFAOYSA-N 374.485 1.875 0 40 FDAB O=C(O)COc1ccc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 663105058 FIJQPZNCLXIGCR-UHFFFAOYSA-N 370.405 1.814 0 40 FDAB CN1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 585112074 KRHWQMVHYQWCQO-MRXNPFEDSA-N 370.453 1.293 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3CN(CC4CCOCC4)C[C@@H]32)c(C(F)F)n1 585108233 ALQCOEIGLLQULQ-JSGCOSHPSA-N 354.401 1.541 0 40 FDAB COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C 585098594 ZPFMYBGZQLNMLL-HNNXBMFYSA-N 358.442 1.633 0 40 FDAB NS(=O)(=O)c1ccc(OCCn2ncc(Cl)c(Cl)c2=O)cc1 59927465 JQZSBKQNZHXARD-UHFFFAOYSA-N 364.210 1.277 0 40 FDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCCc2cnccn2)[C@@H]1O 585280848 QCNYJFAQJISJRD-QRVBRYPASA-N 354.454 1.407 0 40 FDAB COc1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)on1 585094173 LRAJXVKORSCMBM-UHFFFAOYSA-N 351.384 1.289 0 40 FDAB Cc1c[nH]cc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)c1=O 685941751 HZNDKPVBXROMKK-CABCVRRESA-N 353.426 1.945 0 40 FDAB CN(C)C(=O)CCNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 58341228 ZFSQRWPLFMZEDB-UHFFFAOYSA-N 368.428 1.707 0 40 FDAB CC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594947 JMMJEDDWUWLQJQ-BHIYHBOVSA-N 360.502 1.785 0 40 FDAB CCc1nn(CC(=O)NCCCN(C)C)c(=O)c2cc3sccc3n12 12115312 QIGWPXLVUDBRLN-UHFFFAOYSA-N 361.471 1.341 0 40 FDAB Cc1nonc1NC(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12144521 WQYFLTFEZWFIKE-NCNPBXTDSA-N 360.389 1.970 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 16248487 FKXYWBIHYIPFCM-CQSZACIVSA-N 369.462 1.146 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 19237938 OXXWABHQSRGPJS-KDOFPFPSSA-N 368.485 1.969 0 40 FDAB Cc1nn2c([C@H]3CCN(C(=O)C(C)C)C3)ccnc2c1CN1CCOCC1 19707956 XEMPGSVJTFMEOU-INIZCTEOSA-N 371.485 1.842 0 40 FDAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)C(C)(C)n1cnnn1)cn2C 19714401 VLANBWVKLUODIH-GFCCVEGCSA-N 356.430 1.656 0 40 FDAB Cc1cccn2cc(C(=O)N3CCC[C@]3(C)C(=O)N3CCOCC3)nc12 19746509 AUQXNOXZXUJUNW-LJQANCHMSA-N 356.426 1.496 0 40 FDAB CC1CCN(CCC(=O)N2CCO[C@@H](C(=O)Nc3ccccc3)C2)CC1 19747653 LWECGQUOXMNPIY-GOSISDBHSA-N 359.470 1.975 0 40 FDAB COC(=O)CC1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 604267853 FEFNKCNDGAKWSA-MRXNPFEDSA-N 357.414 1.259 0 40 FDAB CN1[C@@H]2CCNc3ccccc3CN(C(=O)c3cn(C)nn3)C[C@H]1CC2 643589079 QNGMHIQOZQIURD-JKSUJKDBSA-N 354.458 1.736 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C(=O)O)C=C1COC(=O)[C@@]12O 252516652 VRZDHXFAIKNSLX-FMNJWYEQSA-N 364.394 1.600 0 40 FDAB biogenic,in-vitro O=C(O)[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 572008038 QOYLNAVRJWCKQQ-HNNXBMFYSA-N 366.464 1.880 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888860375 PPPVWEDQCANBLC-DZKIICNBSA-N 367.453 1.229 0 40 FDAB CCN=c1nc(N2CCN(c3nc(C)nc4cnccc34)CC2)cc[nH]1 1889152044 CARPHGBQIXVMJK-UHFFFAOYSA-N 350.430 1.304 0 40 FDAB COc1ccc2nnc(CNC(=O)c3ccc(OC(F)(F)F)cc3)n2n1 239578945 DBSWBOAGVUQJSH-UHFFFAOYSA-N 367.287 1.962 0 40 FDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1614927774 BQKMRPVFEUYKSE-QGZVFWFLSA-N 351.422 1.987 0 40 FDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3csnn3)CCO2)C1=O 1565549526 YYEZLXHBVLLUJG-DYVFJYSZSA-N 358.423 1.005 0 40 FDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1cccc(F)c1 10704912 YCGPGJIDAVLEKD-UHFFFAOYSA-N 362.426 1.944 0 40 FDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccccc1F 10704911 QDGRWOIBHGOHFL-UHFFFAOYSA-N 362.426 1.944 0 40 FDAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(S(C)(=O)=O)CC1 2055739113 LPHKRVBYCMQEQX-UHFFFAOYSA-N 357.451 1.556 0 40 FDAB CCn1cc(CN2CCC[C@](C(=O)NCC3CC3)(n3ccnc3)C2)cn1 2055772539 SCOIIUBBAMMXHJ-IBGZPJMESA-N 356.474 1.617 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CCc1ccc[nH]1)OC2 2055754633 LJCJXHFLLGEPSW-ZDUSSCGKSA-N 359.430 1.068 0 40 FDAB CN(C)S(=O)(=O)N(C)C1CN(Cc2noc3ccc(Cl)cc23)C1 1775972833 XXTUTOTYUFBTLZ-UHFFFAOYSA-N 358.851 1.404 0 40 FDAB Cc1cc2c(cc1NC(=O)Cc1c(C)noc1C)N(C)S(=O)(=O)N2C 575613612 VJZSNNRNCZEWNJ-UHFFFAOYSA-N 364.427 1.912 0 40 FDAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 40058532 VULKVCBUXXJRMQ-CQSZACIVSA-N 368.455 1.879 0 40 FDAB NC(=O)CNC(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 40146785 GXWZWPWAPIJEFI-BJMVGYQFSA-N 371.824 1.885 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 30848449 KZPYOUSVPHXVEL-AWEZNQCLSA-N 350.415 1.519 0 40 FDAB O=C(O)CC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 4501578 IQGHPUPMOUUHPP-OAHLLOKOSA-N 363.391 1.950 0 40 FDAB in-vivo CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCC(N)=O 8339898 IYEYRWITEMQCTM-UHFFFAOYSA-N 354.798 1.221 0 40 FDAB C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)N1CCc2sccc2C1 32429498 QTFQAQOWCAQQCU-CYBMUJFWSA-N 371.466 1.121 0 40 FDAB c1ccc(CN2CCOC[C@]3(C[C@@H](CNc4cnccn4)CO3)C2)nc1 107795260 RMDNHENRBJIFNW-LPHOPBHVSA-N 355.442 1.591 0 40 FDAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cs1 32784459 NGGLBXIMOFOTGG-ZDUSSCGKSA-N 366.464 1.947 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCOCC1 32980156 IKOFMULASWGVDY-AWEZNQCLSA-N 360.863 1.502 0 40 FDAB COC(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 22191056 KHNDQJXYPCWBQN-LBPRGKRZSA-N 372.377 1.284 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H]([C@H]3[C@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 622430 OJTAKJORQOHLEH-DRPJVOAASA-N 371.393 1.949 0 40 FDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(C)C)cc1 107799984 XEMVNHOPHUXCQC-DLBZAZTESA-N 366.483 1.820 0 40 FDAB Cc1ccc(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1C 24688802 KKOHCVJRWHIDPA-HNNXBMFYSA-N 354.472 1.613 0 40 FDAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)COC)CC1 100205723 OSBFNMPRFSTBQW-GASCZTMLSA-N 362.474 1.995 0 40 FDAB C[C@@H](C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 3294134 CCYFBGZWKLMSIT-LBPRGKRZSA-N 358.394 1.663 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccs1 57415917 YXLQYRIKJMAGBH-CYBMUJFWSA-N 353.469 1.578 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccoc1 10025576 VFASCFIYPRTSIQ-UHFFFAOYSA-N 356.425 1.292 0 40 FDAB CN(C)[C@H](CNC(=O)CN1C(=O)COc2ccccc21)c1cccc(F)c1 27591314 RTAQTRXLVKZBLV-QGZVFWFLSA-N 371.412 1.970 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc3ncccn3n2)cc1 48345936 MCSBXKMUJRNUBV-UHFFFAOYSA-N 360.399 1.063 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCC(=O)O 12945994 RLBYQWSAHOVUTH-UHFFFAOYSA-N 354.428 1.374 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c(C)c1 13041253 BVTJPZDRAAJYRX-UHFFFAOYSA-N 367.515 1.382 0 40 FDAB NC(=O)COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 14112177 NXNYXGKQNCRWJV-UHFFFAOYSA-N 350.378 1.666 0 40 FDAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NC(=O)NC)nc21 4509950 WZNOICVHOZWWRE-VIFPVBQESA-N 358.427 1.936 0 40 FDAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)N2CCNC2=O)cc1 7338294 FLICFHSWFHXSHV-UHFFFAOYSA-N 356.382 1.419 0 40 FDAB CCc1nnc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)s1 8747984 FCJVJMKNNRSPEX-UHFFFAOYSA-N 370.818 1.879 0 40 FDAB COc1ccc([C@@H]2Nn3c(nnc3C(F)(F)F)S[C@H]2C(N)=O)cc1 27752691 UVINPQDAYONPDV-DTWKUNHWSA-N 359.333 1.550 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 96005144 YSQLWGPFCNKCRI-UHFFFAOYSA-N 357.520 1.133 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccccc2)o1 96231570 PNUVQTCMTORCAX-INIZCTEOSA-N 373.405 1.873 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCn2ccnc2)c1 9415051 HQFRUXXZCISUEH-UHFFFAOYSA-N 356.835 1.816 0 40 FDAB O=C(Nc1ccccc1N1CCOCC1)C(=O)N[C@H]1COc2ccccc21 89857826 MFVWSBPSHWNVIQ-INIZCTEOSA-N 367.405 1.712 0 40 FDAB CCOC(=O)C1CCN([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 9514876 HXWGQINLEJIGDY-CYBMUJFWSA-N 362.426 1.695 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C(C)(C)C)CC2)CC1 89984745 LZNLHHGUJMVITC-UHFFFAOYSA-N 361.508 1.763 0 40 FDAB O=C(Nc1ncc(F)cc1I)c1cnsn1 84338555 STOAJMJYANGNFB-UHFFFAOYSA-N 350.116 1.929 0 40 FDAB COc1ccc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cc1F 73723215 DSEGVKZANLKKGK-HNNXBMFYSA-N 351.422 1.841 0 40 FDAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2ccon2)s1 95995617 NIZPNOJOECWFHB-UHFFFAOYSA-N 365.458 1.019 0 40 FDAB O=S(=O)(C1CC1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 306130005 ITWGJAAFEGGJSS-ZDUSSCGKSA-N 351.403 1.778 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1cc[nH]n1)C2 306142136 WQUBNPWCYSJNES-OAHLLOKOSA-N 355.442 1.558 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 409000533 XJABGSFFRMKWAP-ZBFHGGJFSA-N 361.442 1.724 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CCCn1cccc1)[C@H](C(N)=O)C2 524732218 OHZIGJFKVITEGQ-INIZCTEOSA-N 371.437 1.724 0 40 FDAB biogenic O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccccn1 72325122 AOOWWOKFKPXTKY-KRWDZBQOSA-N 364.405 1.349 0 40 FDAB biogenic CC(=O)NCC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355200 WQLLMAXLBYYDJE-QGZVFWFLSA-N 358.486 1.463 0 40 FDAB Cn1nc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c2ccccc21 185868208 OHQPRZFGLKYTGO-CQSZACIVSA-N 353.430 1.754 0 40 FDAB Cc1cccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)c1C 32508644 NYBMUUNIIYKGJX-KGLIPLIRSA-N 367.496 1.442 0 40 FDAB CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2sccc2F)C1 1573179041 HTUFAOFNDRENGI-VHSXEESVSA-N 355.435 1.413 0 40 FDAB NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnn3c2CCC3)c1 1568270662 LRPLUOUWCHFPGH-UHFFFAOYSA-N 356.386 1.079 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCOc2cc(C)ccc2C)CC1 224041028 XSKCRSHMQGHOIA-UHFFFAOYSA-N 368.499 1.860 0 40 FDAB CCN(CC)C(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 199418544 ZCNAXDDQJBIAGF-UHFFFAOYSA-N 351.422 1.359 0 40 FDAB O=C(Cc1nsc2ccccc12)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 573713171 KMVFEFZNQDYBOO-RVZJWNSFSA-N 359.451 1.781 0 40 FDAB NC(=O)[C@@]1(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CCOC1 576002234 SWGWPYKKEAJWAI-OAHLLOKOSA-N 368.315 1.265 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC[C@@H](N2CCCCC2)C1 1586317959 XXIJQGVFXODGDG-OAHLLOKOSA-N 369.462 1.191 0 40 FDAB COc1ncc(Cl)c(=NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)[nH]1 583618912 GXGSRMIPQAECRU-SMDDNHRTSA-N 350.854 1.789 0 40 FDAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cnc[nH]c2=N)C1 583617900 HGJFWNFDYPOWIG-SECBINFHSA-N 354.336 1.661 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)c1 96252932 QVKRSMINCKGNCO-HYVNUMGLSA-N 366.483 1.545 0 40 FDAB Cn1c(CO[C@H]2CN(C(=O)c3cnccn3)C[C@H]2F)nc2ccccc21 96111988 AQKWBJVRIDPUKY-WBMJQRKESA-N 355.373 1.743 0 40 FDAB biogenic,in-vitro O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccnnc2)C1 96057722 GNOMBENUEWQIKH-NUEKZKHPSA-N 356.382 1.006 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)c(C)o1 91707393 RURGRFISWQCVQA-WBVHZDCISA-N 364.442 1.924 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224430 DQBIPYIBZPTMKS-IBGZPJMESA-N 353.426 1.470 0 40 FDAB COCCNC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96078864 TUDJFIOVAPOMRC-UHFFFAOYSA-N 367.471 1.156 0 40 FDAB CCOC(=O)[C@]12CCCN(S(=O)(=O)C3CC3)C[C@H]1CN(C(C)C)C2 96055923 OFVPFJNPPVAFFB-PBHICJAKSA-N 358.504 1.464 0 40 FDAB COC[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccc(F)cc1 332376804 UCSYXAMMCOREKO-SWLSCSKDSA-N 358.435 1.589 0 40 FDAB COCc1nocc1C(=O)Nc1cc(CN2CCN(C)CC2)ccc1OC 585085489 COIFQLKKMHYQDP-UHFFFAOYSA-N 374.441 1.829 0 40 FDAB O=C(CN1CCC[C@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 585082139 NKKXIYADSJSQPL-HNNXBMFYSA-N 353.426 1.580 0 40 FDAB CCCc1nnsc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257282333 OTISISIXBADOQL-ZIAGYGMSSA-N 351.403 1.894 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCN1C(C)C 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CNc1cccc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)n1 1615154618 GCMZBLGJAGYAHI-DLBZAZTESA-N 365.474 1.658 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159528 VVYMLJMNDGKFSQ-LJQANCHMSA-N 372.400 1.516 0 40 FDAB COc1cccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1615546757 DLWUUOKMNCEUNE-JKSUJKDBSA-N 364.442 1.988 0 40 FDAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 5018799 POYKCYHNXPUISY-BJMVGYQFSA-N 354.746 1.725 0 40 FDAB CCc1nn(CC(=O)NCc2ccccn2)c(=O)c2cc3ccsc3n12 12088510 VPOLNGVPMOVQQO-UHFFFAOYSA-N 367.434 1.985 0 40 FDAB CC1CCN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)CC1 12145859 XHLXQCKDSDGMBZ-UHFFFAOYSA-N 369.469 1.687 0 40 FDAB COCC(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1 12187285 SOOFTEVJNNOABD-UHFFFAOYSA-N 371.437 1.274 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccccn3)CC1)CNC2=O 12225917 GVWZZOLFXKLFCP-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB COCc1ccc(CN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)o1 12231794 YHYPLYZKECQQRG-JXFKEZNVSA-N 369.421 1.999 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 17076221 GSDIQTDFMBFMIT-FSDCSDTHSA-N 372.421 1.557 0 40 FDAB COCC(=O)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C 19288601 OQWXYHWFZDTHTM-MRXNPFEDSA-N 370.457 1.787 0 40 FDAB CC(=O)N1CCc2nc(C3CCN(S(=O)(=O)C(C)C)CC3)ncc2C1 19451018 XWNSYQNWHPIFLT-UHFFFAOYSA-N 366.487 1.299 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225427141 YTYYHVNUFYUNNW-UONOGXRCSA-N 352.460 1.023 0 40 FDAB COCc1nsc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888869962 VUZMRVOUTRJPIB-CHWSQXEVSA-N 358.471 1.925 0 40 FDAB O=C(Nc1ccc(F)cc1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921821 TVKHBYUXJZWWSL-CHWSQXEVSA-N 367.388 1.864 0 40 FDAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1 14403417 HAVBITBCGNRYHM-MRXNPFEDSA-N 356.357 1.788 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)[C@]2(CCNC2=O)C1 1565546181 VGRVMUYWHHXUKQ-GOSISDBHSA-N 351.466 1.575 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1 2504008 XMZDGQCFQQOALE-UHFFFAOYSA-N 360.482 1.491 0 40 FDAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)CC)n2)cc1 9844729 USDOUNOMMPWMLL-UHFFFAOYSA-N 351.428 1.248 0 40 FDAB Cn1cccc1C(=O)N[C@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2 2055750860 FRYPAOQJIKQLTG-HNNXBMFYSA-N 351.472 1.492 0 40 FDAB Cc1cc(=NC(=O)C(=O)NC[C@@H](c2csc3ccccc23)N(C)C)[nH]o1 575620083 IOEPUKYAZLRAPI-AWEZNQCLSA-N 372.450 1.977 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 40091381 HASGFPCENSAVMG-CYBMUJFWSA-N 359.338 1.495 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 40152034 GIRVDOCFROHNAK-LBPRGKRZSA-N 364.471 1.938 0 40 FDAB CCOC(=O)[C@H]1CSCCN1Cc1cc(=O)n2c(C)csc2n1 31579810 IJJLPSYTGOSUIT-GFCCVEGCSA-N 353.469 1.545 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cn1C 31722416 NVPOTBFMMOULQA-UHFFFAOYSA-N 373.438 1.430 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691778 SYRPPKBGHHVDAO-KWBADKCTSA-N 366.336 1.775 0 40 FDAB CN(C(=O)Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 29793503 HMZMJHBVRDAZIH-ZDUSSCGKSA-N 359.831 1.395 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c[nH]c3ccccc23)n2ncnc2N1 10157075 ZNOJHXGGUSOIDM-QGZVFWFLSA-N 364.409 1.907 0 40 FDAB COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1 32882712 YNBDYRMPBUZTDC-UHFFFAOYSA-N 370.457 1.366 0 40 FDAB CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 32909760 RLYIVLHTQRVOCM-NSHDSACASA-N 369.368 1.097 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1cccc(C)c1-n1cccc1 32933309 KAIMJQZDHBUVPS-UHFFFAOYSA-N 359.382 1.415 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2csc3ccccc23)CC1 22787824 YVGLXBZYHMYTTL-CYBMUJFWSA-N 360.483 1.863 0 40 FDAB O=P(OCC(F)(F)C(F)F)(N1CCOCC1)N1CCOCC1 910869 GMQKBWDBHBHIKA-UHFFFAOYSA-N 350.249 1.676 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)c(C)c1 25060863 RECPNLHSSAQLAD-UHFFFAOYSA-N 354.453 1.893 0 40 FDAB O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 24444557 QPCHVTJAFIXHHT-NSHDSACASA-N 359.817 1.547 0 40 FDAB CCCc1nnc(S)n1CC(=O)NC1CCN(C(=O)OCC)CC1 24472260 SPVJEXPOASQEMS-UHFFFAOYSA-N 355.464 1.256 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 1379259 GQECZASJHCYICF-GOEBONIOSA-N 352.456 1.443 0 40 FDAB COC(=O)c1cccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 25436993 BHDCWTUAFDAVSF-UHFFFAOYSA-N 367.361 1.777 0 40 FDAB COc1ccc(C)cc1CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O 26212392 JUZNNVJWXHKFDU-OAHLLOKOSA-N 354.472 1.476 0 40 FDAB Cc1nccc(CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 57075065 IJPWYPORBHPCKK-UHFFFAOYSA-N 366.425 1.975 0 40 FDAB CCNC(=O)CN1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 48149557 QRARUYPVTYSUOJ-UHFFFAOYSA-N 356.430 1.158 0 40 FDAB CN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 3332860 RLQWIXZCZWBSQS-UHFFFAOYSA-N 350.421 1.551 0 40 FDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnc2sccn2c1=O 10455327 UYNAGJAEJUCBOZ-UHFFFAOYSA-N 368.418 1.813 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 10514422 UVPNELXJFPKNRB-UHFFFAOYSA-N 352.437 1.476 0 40 FDAB COc1cc(NS(=O)(=O)c2c(C)noc2C)c(C(=O)O)cc1OC 13267729 SACKXZSKOHKWQR-UHFFFAOYSA-N 356.356 1.808 0 40 FDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6432161 OGZUNGDXPQHGIQ-UHFFFAOYSA-N 371.871 1.943 0 40 FDAB CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 14114304 QBQZMKHWRFEGHM-UHFFFAOYSA-N 366.270 1.509 0 40 FDAB C[C@@H](OC(=O)c1ccccc1NC(=O)CSc1nccn1C)C(N)=O 5755250 HPMDIWVMOSPBPB-SNVBAGLBSA-N 362.411 1.182 0 40 FDAB C[C@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 6831011 RALFHQGHBCRCHG-LBPRGKRZSA-N 366.381 1.873 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O 6847864 OYOSTEYFBOVJOA-GOSISDBHSA-N 372.429 1.839 0 40 FDAB NC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nnnn1-c1ccccc1 18175373 PRBZKRPOZFUUNL-CYBMUJFWSA-N 351.395 1.442 0 40 FDAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCOC1=O 8709663 LGUJGAQVAAVOCH-UHFFFAOYSA-N 355.379 1.886 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 15563193 YBHLTYYLAZKVKX-UHFFFAOYSA-N 358.398 1.156 0 40 FDAB CCC1CCC(C(=O)N[C@@H](C(=O)NCCN2CCOCC2)C(C)C)CC1 19938191 QSDJFTQOLWZUAO-DAWZGUTISA-N 367.534 1.792 0 40 FDAB C[C@@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005404 DXTMRUMKADLWFQ-ZDUSSCGKSA-N 351.472 1.805 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 71892825 BQIRYOYUYWHTSK-MRXNPFEDSA-N 358.438 1.981 0 40 FDAB COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N(C)C 72295726 MFBBUDLVDRZGMN-OCCSQVGLSA-N 370.471 1.226 0 40 FDAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)n(C)n1 97010001 ARZRTVXNRKYCQX-OAHLLOKOSA-N 362.455 1.344 0 40 FDAB CNS(=O)(=O)c1ccc(NC(=O)NCCCOC2CCCC2)nc1 97164588 FYZCMSRVXQVFBC-UHFFFAOYSA-N 356.448 1.461 0 40 FDAB Cn1c(=O)oc2cc(NC(=O)N3CCN(CC4CCOCC4)CC3)ccc21 77444291 UFVSSSAWWPXSOO-UHFFFAOYSA-N 374.441 1.708 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)N[C@H](CCO)C1CCOCC1 95943070 MPQZUZQYDDFOHM-OAHLLOKOSA-N 354.834 1.364 0 40 FDAB COCCN(C(=O)CN1CSCC1=O)c1nc2ccccc2s1 26971653 DKGCNYYTNIYEED-UHFFFAOYSA-N 351.453 1.809 0 40 FDAB Cc1cc(CN2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)on1 23417879 TUUGYHBWAGXBBX-UHFFFAOYSA-N 367.409 1.106 0 40 FDAB CC[C@H](C)N(C)C(=O)c1nnc2n1C1(CC2)CCN(CCN(C)C)CC1 306134906 OBEMZXKDGQGWHW-HNNXBMFYSA-N 362.522 1.448 0 40 FDAB O=C(N[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1O)c1cnc(O)c2ccccc12 1023696993 ABRDLJNXMCFWGA-IAGOWNOFSA-N 367.405 1.352 0 40 FDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)Cn1ncc2ccccc2c1=O 72324203 SSQNBOMKHVJNGR-ZDUSSCGKSA-N 362.393 1.346 0 40 FDAB O=C(O)CN(C(=O)CCN1C(=O)CCc2ccccc21)C1CCOCC1 532259446 HRQWBCPSSUKEQY-UHFFFAOYSA-N 360.410 1.448 0 40 FDAB Cn1nc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cc1C1CC1 555121960 MLIYEIRMHJHMBI-UHFFFAOYSA-N 366.443 2.220 0 40 FDAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCSCC1 49213138 JSPKOBRMWFSZSU-UHFFFAOYSA-N 360.526 1.724 0 40 FDAB Cc1cc(CNC(=O)Cn2cc(COc3ccc(F)cc3)nn2)nn1C 227161298 BTLWRQIUOHGGRB-UHFFFAOYSA-N 358.377 1.355 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 75166805 JBLNONYQWHALAT-CQSZACIVSA-N 369.439 1.827 0 40 FDAB CC(C)(C)C(=O)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225469264 LQIQPQWAIQGOAD-UHFFFAOYSA-N 367.515 1.831 0 40 FDAB biogenic,in-vitro Cc1nc(NC(=O)c2ccc(-n3ccnc3C)nn2)sc1C(=O)N(C)C 77197103 QHOKDBJUEQGRHA-UHFFFAOYSA-N 371.426 1.690 0 40 FDAB COc1ccc(CN2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)cc1 96060670 GKWAYGYGLAJIHR-MRXNPFEDSA-N 359.474 1.501 0 40 FDAB Cn1c(N2CCN(C(=O)CCNc3ncccn3)CC2)nc2ccccc21 95475163 SAWUZZZRWHPXLZ-UHFFFAOYSA-N 365.441 1.514 0 40 FDAB O=C(NCC1CC1)C1=NO[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 96225477 FYKMMKKUGHEBAI-LJQANCHMSA-N 357.410 1.662 0 40 FDAB CN1CCN(C[C@H]2CO[C@]3(CCCN(C(=O)Cc4ccccc4)C3)C2)CC1 96228468 MFSVLOWSCXGOAV-RBBKRZOGSA-N 371.525 1.874 0 40 FDAB CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC)[C@H]2CC1 96145750 BUWCFKKQFZPZQY-KBPBESRZSA-N 352.456 1.859 0 40 FDAB CCS(=O)(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244311 IBAQHFJSOLWJDH-KRWDZBQOSA-N 360.439 1.362 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@@H](c1ccccc1)N1CCOCC1 245225979 CMOKGAZAWQMAAN-LTFXXXRZSA-N 352.434 1.867 0 40 FDAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccnn1C)C2 248103080 FGXBTVGSASOVHL-HNNXBMFYSA-N 355.442 1.431 0 40 FDAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)CC[C@H]2CCCOC2)CC1 583623180 REWPHXKXXUOVKV-CVEARBPZSA-N 354.447 1.507 0 40 FDAB CC(=O)N1CC(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)C1 583619849 PNPVBDHZYNFZFL-WMZOPIPTSA-N 354.410 1.297 0 40 FDAB CNCCOc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 257292658 QMMCIFXHHSVDPU-GUDVDZBRSA-N 372.469 1.708 0 40 FDAB O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257248288 JCYPVYXWIQYWHO-PSBWJHGTSA-N 360.385 1.211 0 40 FDAB CN(c1nnc(-c2ccccn2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 585085321 WLEIUBWXBDFKMI-ZDUSSCGKSA-N 373.438 1.605 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257305788 SRMVZTOYVGYUNE-QGZVFWFLSA-N 357.458 1.499 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ncccc2C)cc1CC(=O)O 546253167 KXLWUCXUGBZXCY-UHFFFAOYSA-N 350.396 1.504 0 40 FDAB CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)n1 607487849 BCOIHZCGHLXTIB-IFXJQAMLSA-N 354.410 1.650 0 40 FDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC2)cc1 282594184 GYQRNZZDEHLGSM-QGZVFWFLSA-N 374.485 1.291 0 40 FDAB CCC[C@H](C(=O)Nc1ccccc1N1CCC(CO)CC1)S(N)(=O)=O 612433893 JQVLZRHXLJSKHI-MRXNPFEDSA-N 369.487 1.291 0 40 FDAB Cc1cccc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)c1Br 644004780 VRZLUTHKJCZOPK-HNNXBMFYSA-N 355.232 1.600 0 40 FDAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cn(CCN)nn2)CC1 662376818 SIIFEPPHBVIFEO-CYBMUJFWSA-N 362.865 1.409 0 40 FDAB Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1 681821318 OZBYUOQMYPDIER-MEBBXXQBSA-N 365.411 1.464 0 40 FDAB O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)C1 575419933 AYFKYUWBZSCBSS-HUUCEWRRSA-N 361.460 1.002 0 40 FDAB O[C@H]1CCN(CC2(O)CCOCC2)C[C@]1(O)COc1cccc(Cl)c1 585284889 ANGRCBWUECBGMP-WMZOPIPTSA-N 371.861 1.058 0 40 FDAB Cn1ccc(CC(=O)N2CCN3C[C@@H](OCc4ccccc4F)C[C@H]3C2)n1 585107960 MTHROLIRMQLDGP-ROUUACIJSA-N 372.444 1.604 0 40 FDAB CN(CCc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O 585283854 IGYMOXJYQZZLJK-RBBKRZOGSA-N 368.477 1.799 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102802 IEPPEHQJDJQXLM-PXNSSMCTSA-N 357.454 1.502 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)N1CCC(CN2CCOCC2)CC1 47423526 UYFTYWMGZRIAJL-UHFFFAOYSA-N 359.470 1.296 0 40 FDAB C[C@@H](C(=O)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1)c1ccccc1 72346907 WKSVELZYBANYFH-CQSZACIVSA-N 368.437 1.295 0 40 FDAB COc1cccc(CNC(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)c1OC 582337801 GEVOFMOGEBMUHO-OCCSQVGLSA-N 352.387 1.383 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 1611390806 VMZZWNHWHVDQLX-QGZVFWFLSA-N 371.437 1.665 0 40 FDAB O=C1OC2(CN(CC3CCOCC3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549161642 HRQQQQBBOOAWBQ-IBGZPJMESA-N 371.481 1.804 0 40 FDAB COc1ccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)cc1 1549161849 NXHMMHZMCYKKDU-QGZVFWFLSA-N 371.437 1.323 0 40 FDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)c1ccccc1 12232486 NWMHRYJOSPNRDG-ZDUSSCGKSA-N 357.414 1.003 0 40 FDAB CC1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 14401919 NMQAKFWJUBUJMG-UHFFFAOYSA-N 354.472 1.715 0 40 FDAB CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1 14405693 GIDQPPIEMCSLBC-UHFFFAOYSA-N 364.365 1.873 0 40 FDAB CCN1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 16756983 DCBTUDWFSKPSHE-UHFFFAOYSA-N 354.454 1.849 0 40 FDAB Cc1c(C(=O)NCCn2nnn(-c3cccs3)c2=O)oc2ccccc12 19566270 DFZXXNPHHBGEST-UHFFFAOYSA-N 369.406 1.975 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)nn1C 1888888445 DTZNFRRFLYMEKA-GJZGRUSLSA-N 364.453 1.824 0 40 FDAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2cccnc2)[C@@H]1O 1848354650 OHLWOGIPZIZHGI-MYFFOXHASA-N 360.385 1.593 0 40 FDAB O=C(c1cccnc1O[C@H]1CCOC1)N1CCN(Cc2ccccn2)CC1 244975114 ICFYFMPWCTXZFX-KRWDZBQOSA-N 368.437 1.602 0 40 FDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 1565553251 QNIUEHWQORNCCK-HNNXBMFYSA-N 350.484 1.978 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)C3CC3)n2)CC1 9815714 OMSZFWSIRXCSPX-UHFFFAOYSA-N 365.455 1.836 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCCc1ccccc1 11927607 BBZWGWKUWDUAEC-UHFFFAOYSA-N 356.426 1.023 0 40 FDAB COCC(=O)N1CCC(F)(F)[C@]2(CCN(Cc3c(C)noc3C)C2)C1 2055806584 OGXXGRIDTMUOOC-INIZCTEOSA-N 357.401 1.998 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(Cc1cn(CC(=O)O)c3ccccc13)C2 12117852 ZOOPESMAQQKLJK-UHFFFAOYSA-N 352.394 1.676 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)no1 13578979 JSBGAVDISTUXFZ-VOTSOKGWSA-N 373.321 1.358 0 40 FDAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC2CCOCC2)C1 2332241680 VHDRXMHASDOSKX-IAOVAPTHSA-N 357.458 1.643 0 40 FDAB CC(C)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241804 LELBUMPWIAXEIP-XOSAIJSUSA-N 364.490 1.223 0 40 FDAB O=C(c1cn[nH]n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 40151228 JCUNMYNULZUMOD-UHFFFAOYSA-N 371.422 1.105 0 40 FDAB Nc1nccnc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 30566108 VSGNTULOWTUHBX-UHFFFAOYSA-N 361.833 1.549 0 40 FDAB COc1ccccc1CCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 11027362 BPSOPMJEXKHPCM-UHFFFAOYSA-N 373.434 1.280 0 40 FDAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)NCc1ccccc1 36663236 YRCSEJJTPVNDPF-VIFPVBQESA-N 368.509 1.913 0 40 FDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31370806 FGBIBDDWEWLIAS-RDJZCZTQSA-N 351.406 1.550 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccc(F)cc2)cc1OC 3061048 PCJUVVKKGMDKNG-UHFFFAOYSA-N 374.412 1.861 0 40 FDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100870003 YSWNWJUKLUOERO-MCYUEQNJSA-N 350.168 1.820 0 40 FDAB Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)[nH]c(=O)c1CCO 11848523 QZQVFTRHBZNBTP-UHFFFAOYSA-N 367.858 1.675 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)O 21164213 UUSGKLWQZVWMDK-OAHLLOKOSA-N 352.412 1.223 0 40 FDAB CCN(C(=O)NCc1nncn1CC)[C@@H]1CCN(c2ccccc2)C1=O 75104817 YDKCNIZHQNBIAY-OAHLLOKOSA-N 356.430 1.635 0 40 FDAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CC[C@@H]2NC(=O)NC2=O)cs1 32843023 OWDZSFYUMHHCLJ-ZDUSSCGKSA-N 370.434 1.996 0 40 FDAB CS(=O)(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 52798401 WXFQQTNUTWPKGY-UHFFFAOYSA-N 356.473 1.308 0 40 FDAB Cc1nc2cc(C3CCN(C(=O)c4ccnn4C)CC3)nn2c(O)c1C 100137364 MSYOQUMTJPKADJ-UHFFFAOYSA-N 354.414 1.805 0 40 FDAB CN(C)C(=O)COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 23136757 VMGDESBTENBGOW-UHFFFAOYSA-N 366.381 1.382 0 40 FDAB Cc1nn([C@H](C)C(=O)N[C@H](C)CN2CCOCC2)cc1Br 22276782 CISMAEPXBRHKCE-ZYHUDNBSSA-N 359.268 1.352 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1 12637711 KVNDGMSQEWGESF-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12647733 JPFCOZYGHBARDH-NSHDSACASA-N 357.389 1.844 0 40 FDAB O=C(NCc1cccnc1-n1ccnc1)NC[C@@H]1COc2ccccc2O1 26388573 RXORCVMXCFTJKG-OAHLLOKOSA-N 365.393 1.907 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 62119980 XSONVPIZFZEOCD-MRVPVSSYSA-N 364.217 1.553 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2-n2cccn2)CC1 48151011 FAMXZBWWHBWWPG-UHFFFAOYSA-N 363.443 1.418 0 40 FDAB COc1ccc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1 58192829 CEGSXEBRXKMSGW-SJKOYZFVSA-N 351.424 1.317 0 40 FDAB Cc1cc([C@@]2(C)NC(=O)N(Cc3nnnn3-c3ccccc3)C2=O)c(C)o1 58179891 HHFLAUSGICGZPA-GOSISDBHSA-N 366.381 1.839 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCC[C@@H]32)C1=O 36369727 VIITXPZFDRVLCR-OAHLLOKOSA-N 364.405 1.797 0 40 FDAB biogenic COc1ccc(NC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 12825259 LRIGBPABJCRLKN-UHFFFAOYSA-N 370.457 1.819 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3460122 CRKGZOKMCXMINF-FQEVSTJZSA-N 363.373 1.750 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1 306134694 NVLNQFWTZNPZPZ-CQSZACIVSA-N 367.413 1.744 0 40 FDAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCSCC3)cc2s1 13686184 QDNDPBSGPIFEES-UHFFFAOYSA-N 357.482 1.857 0 40 FDAB CN(C(=O)CSc1nc(-c2cccs2)n[nH]1)[C@H]1CCS(=O)(=O)C1 6035431 PPIIDCIXZNGMIJ-VIFPVBQESA-N 372.497 1.271 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)CC1 6421943 HIDSHWBXXNTTSR-UHFFFAOYSA-N 369.805 1.380 0 40 FDAB CNC(=O)CN1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 14250127 DJLHSIALKKQMAN-AATRIKPKSA-N 366.259 1.353 0 40 FDAB COCCNC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 14235200 RIWNSYBKFDBYFH-JTQLQIEISA-N 356.806 1.473 0 40 FDAB COc1ccc(-c2noc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)n2)cc1 8718289 GLDMBRZWTLLPGM-UHFFFAOYSA-N 370.365 1.979 0 40 FDAB Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(Cc2ccccc2)CC1 8705529 HBKYBFFTFGYFJL-UHFFFAOYSA-N 361.467 1.767 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 70770278 ZLLJEFWIRGRHDN-KGLIPLIRSA-N 374.503 1.717 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NC1CC1 19079969 HXIAEQAEXOQWBW-GFCCVEGCSA-N 354.457 1.273 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 89943506 DSFBKIHXWOWFMT-OCCSQVGLSA-N 363.483 1.648 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 89943501 DSFBKIHXWOWFMT-JSGCOSHPSA-N 363.483 1.648 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c[nH]1 75606921 AYKCZHJWOIILHO-UHFFFAOYSA-N 350.331 1.839 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccc1 9578903 OBLDUPYOTGPNQE-KRWDZBQOSA-N 365.437 1.174 0 40 FDAB C[C@@H](NC(=O)c1nccnc1N)c1cc(F)ccc1N1CCN(C)CC1 78727019 PAQNFUCQORPVFI-GFCCVEGCSA-N 358.421 1.441 0 40 FDAB CC(C)(Cc1ccccc1)CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 97045888 YYRPAWNNQXYUBE-AWEZNQCLSA-N 352.456 1.610 0 40 FDAB CC(C)C[C@@H](NC(=O)NCc1cccnc1)c1nc(-c2nc[nH]n2)no1 95461013 QYVFAPDACFENHL-GFCCVEGCSA-N 356.390 1.836 0 40 FDAB COc1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1OC 408969043 GFQWVPWSEVARKX-UHFFFAOYSA-N 350.415 1.055 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(C(=O)c3ccco3)C[C@@H]1C2 306130377 JEINLWDUHMABQD-RYUDHWBXSA-N 355.398 1.098 0 40 FDAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4cccnc4)nn23)CC1 1501040260 JIQNUGVSVRCRIG-UHFFFAOYSA-N 364.456 1.387 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)NCCNc1cnccn1 511840838 BTMXVKLHKCSDNT-UHFFFAOYSA-N 371.260 1.938 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1OC 33560618 AWBQQOSVQSHXMJ-LLVKDONJSA-N 356.444 1.429 0 40 FDAB O=C(CN1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)Nc1nccs1 72334242 KEVTURWNTNGBLU-GOSISDBHSA-N 372.450 1.739 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 32744469 KIBGCNJEUGTMHN-UHFFFAOYSA-N 363.439 1.560 0 40 FDAB Cc1nnc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)s1 185412329 FINWYQWXFLCJQV-UHFFFAOYSA-N 352.366 1.723 0 40 FDAB CN(C)c1cc(C[C@@H]2CNCCN(C(=O)CCc3ccccc3)C2)ncn1 72355101 TUIKSUNSGIOIFB-GOSISDBHSA-N 367.497 1.766 0 40 FDAB CN([C@@H](C(=O)NCCCN1CCCCC1)c1ccccc1)S(C)(=O)=O 223307516 NPIWCBFNJCSMEX-QGZVFWFLSA-N 367.515 1.611 0 40 FDAB CCN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC(C)(C)OC4)CC1 40266268 LTXHEWWYCRSFAZ-UHFFFAOYSA-N 362.499 1.973 0 40 FDAB CO[C@H]1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1(C)C 332614329 LDMYWJVVLXYMLW-ZDUSSCGKSA-N 358.391 1.696 0 40 FDAB COc1ccc(CNC[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)cc1 96059732 PPBXQCQLHFWOHU-KRWDZBQOSA-N 358.442 1.384 0 40 FDAB NC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1 96221332 UKKXAXLUNKXVMV-HNNXBMFYSA-N 366.377 1.235 0 40 FDAB biogenic CN1[C@H]2CCN(C(=O)C3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145714 ZHYSBHCFZKAJDM-KBPBESRZSA-N 350.440 1.469 0 40 FDAB Cn1cc(CN2C[C@@H]3C[C@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)cn1 96208049 MFDKMZZKULGUAF-RCCFBDPRSA-N 355.442 1.111 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cscn2)CCN1CCc1ccccc1 257318566 VOMKJTXWWSOKSK-INIZCTEOSA-N 358.467 1.258 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](Cc2nccnc2N(C)C)C1 257333216 YAQYIZYONKEZBJ-HNNXBMFYSA-N 356.474 1.906 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CCO1 257206874 BFGQXYACBINISD-LJQANCHMSA-N 357.385 1.528 0 40 FDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccnc1 257275964 NRTMSQYMWFMGSO-GOSISDBHSA-N 352.438 1.197 0 40 FDAB Cc1ccc2nccc(N3CC[C@@](O)(CNC(=O)CCCCN)C3)c2n1 257244649 IMFRAJOHKNWDIT-LJQANCHMSA-N 357.458 1.125 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cncc(Br)c1 253402618 OMHFRQDVOVMQQZ-UHFFFAOYSA-N 374.198 1.379 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cc2c(s1)CCC2 257299119 ROVAYZXYZAUHNP-GOSISDBHSA-N 358.467 1.788 0 40 FDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C[C@@]1(C)O 257310362 UEULNRKLJWKQRA-KNIMUDFMSA-N 350.434 1.345 0 40 FDAB COCCN1C(=O)C[C@H](C(=O)NCc2ccsc2)[C@H]1c1nccn1C 1615551660 MKLACTCSYVHFJQ-ZFWWWQNUSA-N 362.455 1.334 0 40 FDAB CON1CCC(CC(=O)NCCc2nnc(-c3ccccc3)n2C)CC1 613537790 NWKAYXXVYAFKEK-UHFFFAOYSA-N 357.458 1.804 0 40 FDAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2ccc(=O)c3ccccc32)C1 622761628 ULDNKFUORXGUCP-ABAIWWIYSA-N 353.344 1.882 0 40 FDAB CCOC[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)CCO1 623746600 HNWYHESJTLQDKR-KBMXLJTQSA-N 353.463 1.080 0 40 FDAB O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CC3 656234514 KLBTVSXPONEFMZ-HNNXBMFYSA-N 362.407 1.328 0 40 FDAB CCn1cnc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3ccncc3)ncnc21 664336640 GFERKGJTJGRRBP-BBRMVZONSA-N 351.414 1.873 0 40 FDAB CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C[C@@H]1c1ncc[nH]1 681893188 AUYLAFNWNYHRAK-DOTOQJQBSA-N 367.453 1.816 0 40 FDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 585113569 WFKVHGFBGHRUJL-LJQANCHMSA-N 373.432 1.319 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCC2CCCCC2)C1 585284978 MMNWJAQBLHZQOF-PZJWPPBQSA-N 360.498 1.723 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 585113079 ZCKXUBASDQEJRW-IOASZLSFSA-N 361.442 1.856 0 40 FDAB CC(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 670290523 NGQSYUZRBVTAOP-ZDUSSCGKSA-N 371.507 1.086 0 40 FDAB CN(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)cn1 56979944 YEJCVNYGWUAUIO-JTQLQIEISA-N 362.377 1.341 0 40 FDAB Cn1cnc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615160179 ZALYYVJPKKUAHL-UHFFFAOYSA-N 358.417 1.957 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615161133 VNLFPRCODGBVGG-LJQANCHMSA-N 372.400 1.597 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3cccnc3)C[C@@H]12 1549162954 YRFPNNMVIZDKTH-QGZVFWFLSA-N 370.453 1.489 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)cn1 1772595533 DFFVJNJQKZQMEQ-RYRKJORJSA-N 356.401 1.852 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859044 DAVNREGNPPKABN-GYSYKLTISA-N 362.304 1.479 0 40 FDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCCC3)CC2)Oc2ccccc21 12086255 QQVLAWMWOIFACN-FQEVSTJZSA-N 371.437 1.530 0 40 FDAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnccn1 12185178 VCQXGLGYAYTHAZ-LBPRGKRZSA-N 355.423 1.970 0 40 FDAB Cn1cc(C(=O)N2CCC(c3noc(-c4ccc(O)nc4)n3)CC2)cn1 12408011 XKNHQABZNANNBO-UHFFFAOYSA-N 354.370 1.591 0 40 FDAB NC(=O)CN1CCC[C@@H](c2nnc(-c3ccc(N4CCCC4)nc3)o2)C1 19341934 BJOCBTRPYXLYRK-CQSZACIVSA-N 356.430 1.397 0 40 FDAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)C1CC1 19751221 ZTZMHDXAGDYXLA-CYBMUJFWSA-N 371.412 1.832 0 40 FDAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2CC2=CCCOC2)n1 19760582 YKUSMEQCCKZRDK-KRWDZBQOSA-N 359.474 1.980 0 40 FDAB CC(C)(O)C1CN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 548363184 SBWNFXWVNOMGFO-KRWDZBQOSA-N 359.470 1.632 0 40 FDAB CCn1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)cn1 12239411 TUBUSDLZTLQYMO-CQSZACIVSA-N 366.443 1.213 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 244986169 JIWBKCZQIKDILI-OIISXLGYSA-N 367.467 1.475 0 40 FDAB COc1cccc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1889186957 ZBXAVUYPTHOLHK-UHFFFAOYSA-N 350.426 1.993 0 40 FDAB COc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350537 MAKARSGWGCGTGV-UHFFFAOYSA-N 361.427 1.380 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565545725 MOGQXYMYYPTZBA-UHFFFAOYSA-N 351.472 1.410 0 40 FDAB Cc1ccccc1NC(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575616024 NNHMDWFNULAASM-UHFFFAOYSA-N 354.476 1.635 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Br)c1 100059882 FNUWEPYQFFFCTK-OZTPJHRESA-N 350.168 1.254 0 40 FDAB CC(C)Oc1ccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 40071190 UMHVUQMECFXHKP-HNNXBMFYSA-N 354.472 1.209 0 40 FDAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)N1CCCC1 1105203 SZPRPWBKCXVKKA-UHFFFAOYSA-N 364.467 1.704 0 40 FDAB Cc1ccccc1-c1noc(CN2CCN(CN3CCOC3=S)CC2)n1 31784026 PIXYHSBALAXBEN-UHFFFAOYSA-N 373.482 1.737 0 40 FDAB CCOC(=O)C[C@H](C)C(Br)(C(=O)OCC)C(=O)OCC 1757740 FTEZHNNDKKQVNF-VIFPVBQESA-N 353.209 1.836 0 40 FDAB COCCN([C@@H]1CCSC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C 51135725 WSCSJXRVPNIFDB-CQSZACIVSA-N 373.496 1.924 0 40 FDAB COc1ccc(Nc2nc(NCCCO)c3cnn(C)c3n2)cc1OC 32102690 AVVQPIGFBZRICG-UHFFFAOYSA-N 358.402 1.918 0 40 FDAB O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)N1CCOCC1 20721358 PPMIVWYWHOMXAZ-UHFFFAOYSA-N 359.401 1.831 0 40 FDAB Cc1noc(C2CCN(C(=O)NCC(=O)N3CCc4ccccc43)CC2)n1 102069970 LPFXSLOEALSCNQ-UHFFFAOYSA-N 369.425 1.856 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2cccc(C)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11859283 NYBXAAGEGZOEGZ-MJVIPROJSA-N 362.373 1.944 0 40 FDAB C[C@@H]1CN(CCCCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 75107650 GLABMPWIVVBHQN-HZPDHXFCSA-N 359.474 1.830 0 40 FDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C)n1 32900118 MDSLWIUJQGCCPG-CQSZACIVSA-N 361.427 1.122 0 40 FDAB O=C1O[C@@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)Cc2ccccc21 46422520 NWGGMDGJHCUOIA-GDBMZVCRSA-N 352.394 1.343 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 22472991 XOCIMEZHCLFYEX-UHFFFAOYSA-N 365.459 1.277 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)nc2ccccn2c1=O 911273 KUACZWMWGDAOBQ-GFCCVEGCSA-N 362.773 1.539 0 40 FDAB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 24765330 JFGVSNOWCRWGOM-GXFFZTMASA-N 374.846 1.634 0 40 FDAB CN(CCc1ccc(F)cc1)C(=O)Cn1nc(O)c2ccccc2c1=O 55369969 ZVZRXUKFMSBIQX-UHFFFAOYSA-N 355.369 1.942 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 55348746 DODIIEPEUZNGAU-DOTOQJQBSA-N 367.453 1.514 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 35351282 HTOVFDMRHJHWCW-QGZVFWFLSA-N 363.508 1.962 0 40 FDAB CC(C)Oc1ccc(-c2noc(C(=O)NCCN3CCOCC3)n2)cc1 20736811 LRZKDWRIAXHIPC-UHFFFAOYSA-N 360.414 1.586 0 40 FDAB CC(C)(C)NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520306 QCQRCMWUFNQPIA-UHFFFAOYSA-N 374.470 1.561 0 40 FDAB O=C(COC1CCCC1)NCCC(=O)N1CCN(c2ccccc2)CC1 58182138 QPRJMHKASTZCFI-UHFFFAOYSA-N 359.470 1.801 0 40 FDAB NC(=O)C(NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(N)=O 58343707 YCENSJPBUNYADY-UHFFFAOYSA-N 373.221 1.186 0 40 FDAB CN1C(=O)N(C)[C@H]2[C@H]1N(CN1CCCCC1)C(=O)N2CN1CCCCC1 2226395 VXQIGHVZYQZUHN-HZPDHXFCSA-N 364.494 1.260 0 40 FDAB CC(C)[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 10678922 NJONRYYMEACXNL-MRXNPFEDSA-N 357.389 1.783 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cn2)CC1 12613103 HVOGJIKILDBAPM-UHFFFAOYSA-N 364.409 1.322 0 40 FDAB CCCNC(=O)CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8032358 NFNQFSUZNRLDFX-UHFFFAOYSA-N 364.405 1.642 0 40 FDAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 3362419 DDIHPCMHOVBGPD-CQSZACIVSA-N 369.439 1.182 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2ccccc12 12777784 YWWJNHKFFHUSTA-KRWDZBQOSA-N 360.479 1.965 0 40 FDAB C[C@H]1C[C@H](Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C(=O)O1 12898309 IHOPFCXVLBGJDO-UFBFGSQYSA-N 356.425 1.874 0 40 FDAB CSCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 8428782 VVYMIAISQGZAJM-UHFFFAOYSA-N 358.485 1.708 0 40 FDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Br)c2)n1 6315523 PFKRYIIOBFUWRF-UHFFFAOYSA-N 355.217 1.845 0 40 FDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1n[nH]c(=O)c2ccccc12 14119652 WFJYBIUBMNNHEC-OAHLLOKOSA-N 367.361 1.143 0 40 FDAB CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(=O)[nH]c3ccccc23)no1 65757653 NBLSFIVMVZNOGE-UHFFFAOYSA-N 355.398 1.638 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649341 UUAAEKNRCJNWBI-UHFFFAOYSA-N 353.334 1.727 0 40 FDAB COc1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)c(OC)c1 6642056 IAUIZUQBEQNDBG-UHFFFAOYSA-N 371.440 1.154 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)c1C 14914230 WIFONANJIJHDRY-INIZCTEOSA-N 366.483 1.542 0 40 FDAB Cc1ccc2nc(CN3CCN(C(=O)c4ccccc4)CC3)cc(=O)n2c1 7267205 FVWQJNSNUVDSTP-UHFFFAOYSA-N 362.433 1.961 0 40 FDAB CC1CCN(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 7616203 OCJVDVQCXLTWIP-UHFFFAOYSA-N 351.472 1.845 0 40 FDAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCOCC2)cc1 9238788 ZCIIVUBTOXKPOV-GJZGRUSLSA-N 359.455 1.513 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](Oc4cccnc4)C3)cc12 97015531 AYGKBKPOYJUNQF-AWEZNQCLSA-N 373.438 1.514 0 40 FDAB O=C(c1ccc(S(=O)(=O)NCc2ccsc2)cc1)N1CCOCC1 97298187 JTENWEWOJKRQIN-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB CCCCn1c(N)c(N(CC)Cc2cccc3nsnc23)c(=O)[nH]c1=O 95424190 NQYCDCBMRHQGOH-UHFFFAOYSA-N 374.470 1.950 0 40 FDAB COc1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)ncn1 306139743 TYZVEIHEXQBUGB-MGPQQGTHSA-N 360.439 1.428 0 40 FDAB O=C1CCN(CC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)C(=O)N1 512390873 CBNTXSQVZFPUPV-MRXNPFEDSA-N 353.781 1.679 0 40 FDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc2c1OCCO2 524729870 MIBUOSCJLVWFNQ-LBPRGKRZSA-N 357.362 1.915 0 40 FDAB biogenic O=C(O)c1cccc(CN2CCN(S(=O)(=O)C3CC3)CC2)c1Cl 530165723 SOVKIDRDZGDMJY-UHFFFAOYSA-N 358.847 1.648 0 40 FDAB CNc1cc(Nc2nccc([C@@H]3CCCN(CC(=O)N(C)C)C3)n2)ncn1 72377912 VUZXYAPWJNVZLW-CYBMUJFWSA-N 370.461 1.320 0 40 FDAB Cc1cnc(C(=O)N2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cn1 72395844 BGPRNRMQVFOQSP-UZLBHIALSA-N 364.405 1.584 0 40 FDAB CCOC(=O)C[C@H](c1cn(CC)nc1C)c1oc(CO)cc(=O)c1O 72402100 XGPDCEGSLHAXJW-GFCCVEGCSA-N 350.371 1.448 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)nn(C(F)F)c2C)C1 36611156 WDCAYJVXTLAODN-NSHDSACASA-N 365.402 1.859 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NCCCO 217604800 QPCYUJHNYMDOHT-UHFFFAOYSA-N 364.423 1.658 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 72346364 SYJJFJRUQDJXNK-UHFFFAOYSA-N 356.426 1.624 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)s1 223115857 OVGAMCZEUSFFCO-UHFFFAOYSA-N 370.456 1.762 0 40 FDAB O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1 225703842 DJCOSWWHSYVYMK-CYBMUJFWSA-N 360.391 1.582 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCSc2ccccc2)s1 225863158 GUJNDYIDNIUUAI-UHFFFAOYSA-N 372.497 1.957 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1 224221942 FQRHVFVLBCPANP-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915200 PIQUFCJOYRWLPG-HNNXBMFYSA-N 358.413 1.894 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 223298633 IMQANFNWSIDHMB-UHFFFAOYSA-N 363.395 1.310 0 40 FDAB CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 96260393 XCFJBPVJVPZHDC-UHFFFAOYSA-N 366.469 1.779 0 40 FDAB C[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1nnc2ccccc2c1=O 95479824 OXZBGTGDOFALNN-VIFPVBQESA-N 356.411 1.472 0 40 FDAB CN(C)CCN1CC[C@]2(CN([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201883 CWIYFXSQUQAHJL-IRFCIJBXSA-N 357.498 1.655 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3c(F)cccc3NC3CC3)cnc21 530588083 PKAVNFYZGLBJBI-UHFFFAOYSA-N 356.361 1.482 0 40 FDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)NCc3cccnc3)C[C@H]21 96248826 IJUJFPCPAGABEI-MSOLQXFVSA-N 371.441 1.481 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cscn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96209377 XYKWAVJVINYTHK-USXIJHARSA-N 358.467 1.900 0 40 FDAB CCc1nnc(NC(=O)C2CCC3(CC2)N=CN(CCOC)C3=O)s1 96087485 ISTSEEOTZKOGSW-UHFFFAOYSA-N 365.459 1.485 0 40 FDAB COC[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCN(Cc1ccoc1)CC2 247880575 PTFDBSWTRVOLSV-INIZCTEOSA-N 368.499 1.932 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21 247503959 GKOHQBZVRUNCFJ-HNNXBMFYSA-N 352.460 1.206 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 247955381 SHEDVXCOPDOLID-ZRRCRCOKSA-N 368.433 1.737 0 40 FDAB COC(C)(C)C(=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257325543 WTKMUBBQRHQXKD-HUUCEWRRSA-N 350.390 1.189 0 40 FDAB C[C@@]12C[C@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)[C@@H]1CCC[C@@H]2N3 257275214 NOJWNFADJVXJPO-REGYPHIPSA-N 352.438 1.528 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 257298722 RMZUMOCTEJTWEC-AWEZNQCLSA-N 363.425 1.680 0 40 FDAB NCc1ccccc1CNC(=O)CNC(=O)N1CCc2ccccc2C1 1118260122 CGJAVHIONYTYPL-UHFFFAOYSA-N 352.438 1.529 0 40 FDAB CC1CC(n2nnc3c2CN(S(=O)(=O)[C@@H]2C[C@H]4CC[C@H]2O4)CC3)C1 641639426 AANGDMFWENYHMP-QEHQXTMFSA-N 352.460 1.257 0 40 FDAB N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 55371341 JVIPUJYYHXMYNQ-INIZCTEOSA-N 364.409 1.243 0 40 FDAB Cc1cn(C)c(=O)n(CC(=O)NCC2(c3ccccc3)CCCCC2)c1=O 664059549 BGAYQCQVIAFHNE-UHFFFAOYSA-N 369.465 1.874 0 40 FDAB C[S@](=O)C1(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CCNCC1 602520050 GNVOJBIYHRVIQF-BZQUYTCOSA-N 361.467 1.575 0 40 FDAB COc1cccc(S(=O)(=O)NCCc2nc(C)c(C(=O)O)s2)c1F 585091272 JRZFLPNTWGSNSB-UHFFFAOYSA-N 374.415 1.818 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(OC)cc3)CCN2C12CCOCC2 1772595311 LQZHSKDWAJMMRP-QGZVFWFLSA-N 373.453 1.190 0 40 FDAB CCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233988 GHDRPZJGJCLMMK-UHFFFAOYSA-N 357.414 1.719 0 40 FDAB CCN1CCN([C@@H](c2ccc(C)cc2)c2nnnn2C[C@H]2CCCO2)CC1 19527992 TYKWMTXENHUXOC-MOPGFXCFSA-N 370.501 1.887 0 40 FDAB O=C(NCCS(=O)(=O)N1CCCC1)c1ccc2c(c1)ncn2C1CC1 19663082 YBLFICVGPMFDRD-UHFFFAOYSA-N 362.455 1.527 0 40 FDAB Cc1cc2ncc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(N)n2n1 19664228 SLUSPTKMNJTUCY-LLVKDONJSA-N 353.382 1.882 0 40 FDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1 19670491 VLLHDVSGXKGTFX-OAHLLOKOSA-N 362.449 1.393 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)c1F 1888856587 BYZQLEILNDYWGQ-QWRGUYRKSA-N 362.384 1.694 0 40 FDAB Cc1nc2ccc(OCC3CCN(C(=O)c4nc[nH]n4)CC3)nn2c1C 1888881721 QBHVVWBQVYKGQO-UHFFFAOYSA-N 355.402 1.395 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)ncnc21 1888904298 KUGZDCLZARCPKV-GASCZTMLSA-N 363.425 1.450 0 40 FDAB O=C(CCCn1cncn1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909013 MBBHGSKWORVVPX-IBGZPJMESA-N 358.442 1.881 0 40 FDAB O=C([C@@H]1CN(c2ccn3nccc3n2)CCO1)N1CCC(F)(F)CC1 2086939638 UZGOCATWOXHJQG-LBPRGKRZSA-N 351.357 1.192 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359945 GUUVMTQHBUCASD-HOCLYGCPSA-N 367.405 1.931 0 40 FDAB COc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1OC 5056479 VTTWKGFBGYFXIB-UHFFFAOYSA-N 369.381 1.001 0 40 FDAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)N3CCCC3)c(=O)c21 12228453 GTNJXJMUZGRPTP-UHFFFAOYSA-N 351.410 1.821 0 40 FDAB COCCNC(=O)[C@@H]1CCc2c(C(=O)NCc3cccs3)ncn2C1 2055714716 MUWKECGFNREMJJ-GFCCVEGCSA-N 362.455 1.200 0 40 FDAB O=C(NCC(F)(F)F)[C@]1(n2ccnc2)CCCN(Cc2cccnc2)C1 2055772480 MUNMICQGKVQBJD-INIZCTEOSA-N 367.375 1.948 0 40 FDAB CCC(CC)[C@H](N)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)[C@@H]1O 504659601 SECXLAHYOAZIGA-MRLBHPIUSA-N 358.479 1.813 0 40 FDAB C[C@]1(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)CCS(=O)(=O)C1 40017314 JPDMCVOWGSUDIT-ZDUSSCGKSA-N 357.300 1.618 0 40 FDAB COc1cccc(-n2ccnc2SCC(=O)N[C@H]2CCCCNC2=O)c1 40127547 DADBXVFVLCWQMK-HNNXBMFYSA-N 374.466 1.758 0 40 FDAB CCSc1nnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 7212469 NIUJSZDDNJWNOK-UHFFFAOYSA-N 369.472 1.843 0 40 FDAB CCc1nc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)sc1C(=O)OC 937893 ROQBYCNDKGIBSY-VIFPVBQESA-N 357.457 1.741 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1936061 OIUMPUUWGUNOSG-UHFFFAOYSA-N 352.346 1.773 0 40 FDAB Cn1nc(C(=O)OCC(=O)Nc2cccnc2Cl)c2ccccc2c1=O 3587163 MSNUMNYQKMZRFX-UHFFFAOYSA-N 372.768 1.777 0 40 FDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c1 100377207 WKKAPEKUXJUAHC-KODHJQJWSA-N 357.362 1.059 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420694 NQUHMJFFFHSEEE-QCUYGVNKSA-N 360.410 1.370 0 40 FDAB COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298356 CDBQOXKKQOUWCC-OLMNPRSZSA-N 355.442 1.774 0 40 FDAB biogenic,in-vitro COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 52567314 YSNFIMTYOJMRNI-UHFFFAOYSA-N 373.453 1.652 0 40 FDAB O=S(=O)(NC[C@@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2 52537031 WDKWFLYZZOMLBA-CYBMUJFWSA-N 361.419 1.987 0 40 FDAB COc1c(F)cc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1F 75109176 ROFWLYQWWDDOLJ-AWEZNQCLSA-N 371.384 1.978 0 40 FDAB Cc1ccc([C@H](O)CNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 41457072 PIJXBWVYQNXANJ-QGZVFWFLSA-N 367.405 1.510 0 40 FDAB C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@@H]1C[C@H]2CC[C@H]1C2 103159064 XTYMRHPUEMVNQC-AJNGGQMLSA-N 360.458 1.447 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1 107714762 VOOCWIMBBYGAGQ-BPUTZDHNSA-N 357.389 1.311 0 40 FDAB O=C1COc2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)ccc2N1 54016593 SOEWOGUZFQAGMK-ZDUSSCGKSA-N 353.382 1.206 0 40 FDAB CCOc1ncccc1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 23101860 AJJDSLGSEATAGT-ORAYPTAESA-N 374.441 1.597 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2)nc1 42497584 JVSRSLLHVAJFNT-AWEZNQCLSA-N 369.512 1.218 0 40 FDAB O=C(NC1CCN(C(=O)C2CCC2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 61718231 VNAWPODELMSJAV-INIZCTEOSA-N 369.465 1.947 0 40 FDAB CC(C)(C)OC(=O)NCCCC(=O)NCCc1nnc2n1CCCCC2 42753077 MBHIFGDESJVZJY-UHFFFAOYSA-N 365.478 1.968 0 40 FDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(Br)cc1 78652112 SJPRHVSQFFWDBR-SNVBAGLBSA-N 364.261 1.719 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 12549304 HJIMWTPTHMWEIK-KBPBESRZSA-N 373.906 1.816 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCCN1CCCC1=O 100217115 NQXGJEJHJWQJQB-TWOQFEAHSA-N 369.421 1.202 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 24243057 JIPDRWZFDOKKJN-CYBMUJFWSA-N 373.432 1.660 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)CCN1CCOC1=O)N1CCCC1 55109499 LNKDLGLGEMPMPG-MRXNPFEDSA-N 361.442 1.791 0 40 FDAB COC(=O)c1ccc(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)o1 25176651 DPNUDZWWOVJMSU-UHFFFAOYSA-N 363.322 1.296 0 40 FDAB NNc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1 1500100 XCQMSYJASCWSQO-UHFFFAOYSA-N 366.223 1.500 0 40 FDAB CNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 26432584 QUJWJVYYLVKIPS-GFCCVEGCSA-N 351.362 1.677 0 40 FDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57481868 LSLLKAIHEZOGED-LLVKDONJSA-N 354.325 1.792 0 40 FDAB CCc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2ccc(F)cc2)n1 57508572 MXTBFWBVEAXGHH-MRXNPFEDSA-N 359.401 1.907 0 40 FDAB CC(C)n1cc2c(n1)C1(CCN(Cc3cnn(C)c3)CC1)CN(C)C2=O 306137774 RFYOVVWGFIDBDF-UHFFFAOYSA-N 356.474 1.817 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 10753595 UTSNRZYJJVYIBE-GFCCVEGCSA-N 350.362 1.947 0 40 FDAB COc1ccc2nc(C(=O)N3CCC(NS(C)(=O)=O)CC3)ccc2c1 48231846 JZQVLZXCCVSZPT-UHFFFAOYSA-N 363.439 1.397 0 40 FDAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)o1)[C@H]1CCS(=O)(=O)C1 12865668 AAFJIVUOPDRQHF-ONGXEEELSA-N 359.473 1.463 0 40 FDAB O=c1c2ccccc2nnn1CSc1nnnn1-c1ccc(O)cc1 3430401 CCGMUFBWWNQDHS-UHFFFAOYSA-N 353.367 1.223 0 40 FDAB C[C@H]1Cc2cc(C(=O)OCC(=O)NC(C)(C)C)ccc2N1S(C)(=O)=O 7936155 YEZKEKZPPIAOBV-NSHDSACASA-N 368.455 1.469 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 8097239 YHJLDXJCMKYXBV-NEPJUHHUSA-N 367.471 1.042 0 40 FDAB CN(CC(=O)Nc1sccc1C(N)=O)C[C@@H]1COc2ccccc2O1 16629204 HFHUGKSPVMXICY-LLVKDONJSA-N 361.423 1.557 0 40 FDAB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1[C@H]1CCS(=O)(=O)C1 21896856 ZAMZULXHXCKJOS-AWEZNQCLSA-N 353.440 1.991 0 40 FDAB CCNC(=O)[C@@H]1CCN(Cc2ccc(C(=O)Nc3ccc(C)nn3)cc2)C1 65397625 WADPLUQTKWWGDW-QGZVFWFLSA-N 367.453 1.995 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCCC34CC5CC(CC(C5)C3)C4)cnc21 14054400 POPSDNPGQCTVKD-UHFFFAOYSA-N 369.469 1.853 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1COc2ccccc2O1 14234770 AQHAWKPYNJCJTC-CYBMUJFWSA-N 365.389 1.812 0 40 FDAB CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)cc1 14253735 CPHXCOIKIFDPEK-CQSZACIVSA-N 353.378 1.824 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 25699354 WIVJXQBKUAQPBD-RDTXWAMCSA-N 362.357 1.763 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 5850481 HXTSOTCBKQPZRP-CZUORRHYSA-N 362.426 1.663 0 40 FDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)O)nc(CC(C)C)nc21 6935762 FNVPWENAPDGQSY-UHFFFAOYSA-N 366.443 1.275 0 40 FDAB Cc1cc(=O)n2ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2[nH]1 67225554 HUJUNRPJVDAIRX-UHFFFAOYSA-N 371.828 1.947 0 40 FDAB COCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C 67237974 YSVZOFDDIFIGLL-UHFFFAOYSA-N 366.487 1.934 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1cccc2cccnc12 8982425 PQEYCYPUDJSEJQ-UHFFFAOYSA-N 368.418 1.781 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2cncc(Br)c2)n1 9114457 JMFMBMWXBOBXGF-UHFFFAOYSA-N 353.180 1.034 0 40 FDAB Cc1ccc(SCCNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 9364796 OPNWFYMCGLMVLB-UHFFFAOYSA-N 357.439 1.347 0 40 FDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(=O)NC2CC2)C1=O 9578774 UASSEKHRBLHTAZ-INIZCTEOSA-N 364.789 1.095 0 40 FDAB CC(C)N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1 26942140 JVHOAWVITWGDBN-LBPRGKRZSA-N 351.472 1.484 0 40 FDAB COCCOc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1C 95455631 JWCGRFIDCGBULV-UHFFFAOYSA-N 369.399 1.253 0 40 FDAB Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCOCC1 95477964 KBUQFWFMWHZJCQ-UHFFFAOYSA-N 369.465 1.481 0 40 FDAB C[C@@H](CN(C(=O)CCC(=O)N[C@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O 95991933 VDTKQEIHOPFJLM-UONOGXRCSA-N 374.437 1.866 0 40 FDAB 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Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCCC(=O)NC1CC1 227150147 IHAOLSPHWZHMRQ-CQSZACIVSA-N 356.426 1.733 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccco1 44214093 LOHSGXPAGKYVPB-UHFFFAOYSA-N 352.387 1.608 0 40 FDAB COc1ccc(OCCNC(=O)CCn2nnc3ccccc3c2=O)cc1 40012223 SHQWCNVQQJIURH-UHFFFAOYSA-N 368.393 1.385 0 40 FDAB CN1CCN(c2ncc(NC(=O)Cn3cnc4ccccc43)cn2)CC1 224255246 BXILBYJFSZTEOS-UHFFFAOYSA-N 351.414 1.217 0 40 FDAB Cc1noc(C)c1C(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 330662801 DJBHYMVRMXPLKU-UHFFFAOYSA-N 368.459 1.545 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1cccnc1)CCN(C(=O)N(C)C)C2 96036218 RLGAOHRNIKELHC-LJQANCHMSA-N 359.474 1.119 0 40 FDAB CCS(=O)(=O)N1CCn2c(COCC3CCOCC3)cnc2[C@H]1C 96109809 LRWIKYUIKJBPHX-CYBMUJFWSA-N 357.476 1.553 0 40 FDAB CN(C)C(=O)[C@]12CCCN(C(=O)C3CCC3)C[C@H]1CN(c1ncccn1)C2 96251220 HAPIEXLQBNATMB-JXFKEZNVSA-N 371.485 1.410 0 40 FDAB NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ncc(Br)cc2[nH]1 95481987 JSGKUQMDKABWGW-JTQLQIEISA-N 366.219 1.129 0 40 FDAB 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C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806652 ODHUGLGMTGSEQT-MYODQAERSA-N 374.528 1.489 0 40 FDAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O 15699800 OHFUABOMJAHLFA-SECBINFHSA-N 363.395 1.825 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 9184363 YXXDMSFDKVXIHG-NVQRDWNXSA-N 351.362 1.908 0 40 FDAB Cc1ccccc1[C@H](OC[C@@H](O)CN(CCO)CCO)c1ccccc1 9218196 IQXJESSNJFFGID-PZJWPPBQSA-N 359.466 1.749 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C(=O)O)C(C)C 9885226 JHZUDDPPWPLUSF-OAHLLOKOSA-N 368.455 1.619 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1nnc(-c2ccccc2)o1 84460016 GIGZCJMRLOCWIU-ZIAGYGMSSA-N 369.377 1.955 0 40 FDAB Cc1ccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1 73760942 MKVBAQPKRQKFDP-KRWDZBQOSA-N 368.437 1.844 0 40 FDAB CSCc1nc2ccccc2n1CC(=O)N[C@@]1(C(N)=O)CCCOC1 89493790 MHRFYBNNPCXJRS-KRWDZBQOSA-N 362.455 1.050 0 40 FDAB CCOC(=O)c1cccc(S(=O)(=O)NCCn2cnnc2C2CC2)c1 79062372 FHPUAOIKEVEYJD-UHFFFAOYSA-N 364.427 1.311 0 40 FDAB C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(-n2cncn2)cc1 173766449 HLBZPNYECBNPFN-CRAIPNDOSA-N 370.457 1.444 0 40 FDAB COCCNC(=O)c1nc(Cc2cc(C(=O)OC)ccc2Cl)no1 61720309 YGTMLFYBPWYEKH-UHFFFAOYSA-N 353.762 1.477 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 408554471 SDPAPHCOOPPFKI-UHFFFAOYSA-N 372.356 1.478 0 40 FDAB COCCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 33654251 NPKMXLOIGRDFOR-UHFFFAOYSA-N 369.270 1.912 0 40 FDAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C)[C@@H]3CO)cc2)cc1 72321435 LEKIPZQJUGWKMH-IEBWSBKVSA-N 370.405 1.838 0 40 FDAB biogenic,in-vitro CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35375540 ZRSUSFADMZKWGR-UYFOVEDQSA-N 355.438 1.842 0 40 FDAB Cc1c(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cnn1C 72342240 RFQZKDHPOOOYHD-UHFFFAOYSA-N 355.402 1.433 0 40 FDAB CN(C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)[C@@H]1CCCC[C@H]1O 223642010 HKIOIZKUPUSARB-BZUAXINKSA-N 354.472 1.381 0 40 FDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cccc(OC(F)(F)F)c1 40386526 LHKSVAPIOXQYLP-MRVPVSSYSA-N 355.276 1.774 0 40 FDAB C[C@@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCO2 75155474 DAYUXONJLUQWTP-HXUWFJFHSA-N 374.437 1.746 0 40 FDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 223733513 XMJUAAVZZYJKPV-UHFFFAOYSA-N 359.454 1.912 0 40 FDAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cn(Cc3ccccc3)nn2)C1 583619781 HBAMSGQWJAKBJZ-OCCSQVGLSA-N 353.348 1.821 0 40 FDAB COc1ccc(CNC[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)cc1 96059733 PPBXQCQLHFWOHU-QGZVFWFLSA-N 358.442 1.384 0 40 FDAB COc1ccc(CNC(=O)Cc2ccc(OCc3nnnn3C)cc2)cc1 96101416 NBWQDNPBMLRWLY-UHFFFAOYSA-N 367.409 1.657 0 40 FDAB COc1nc(OC)nc(N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)n1 257272338 NCAUOELJJUQVTO-CQSZACIVSA-N 358.402 1.261 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1F 250337233 AINDASDUSSAWRM-KCQAQPDRSA-N 369.462 1.743 0 40 FDAB Nc1cc(CC[C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)ccn1 257239688 HQIXEXPAULPNAU-LJQANCHMSA-N 357.454 1.869 0 40 FDAB Cc1n[nH]c(C)c1-c1cncc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257204273 ATTZFRFUZMCMRN-CYBMUJFWSA-N 364.475 1.469 0 40 FDAB Cc1cc(F)ccc1CC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257282681 OUUGHMVKFYLXCP-IBGZPJMESA-N 358.417 1.566 0 40 FDAB COC[C@]1(C(=O)O)CCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 643879427 RUFTUGQDWWPFTR-INIZCTEOSA-N 351.790 1.414 0 40 FDAB COc1cc(CN(C)C(=O)CN2CCCC[C@@H](O)C2=O)cc(OC)c1 644298120 GAUGBOIQRBNYBZ-MRXNPFEDSA-N 350.415 1.036 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)c(F)c1 646045734 HWTLMAWYWMZLAJ-CQSZACIVSA-N 359.419 1.681 0 40 FDAB CN1CC[C@@H](C(=O)NCCc2ccccc2OC(F)(F)F)S1(=O)=O 648320930 VWXKMJXJGUOSMF-LBPRGKRZSA-N 366.361 1.278 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)OCCO2 656857519 IOKHARJEUZODKQ-AUUYWEPGSA-N 356.426 1.784 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCc2nccc(C(F)(F)F)n2)N1C1CC1 663232026 SOECBTPXEQBYNN-ZJUUUORDSA-N 358.320 1.192 0 40 FDAB Cn1nccc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1Cc1cccc2c1OCO2 1775959731 STHLXDGKEYWOHW-LRDDRELGSA-N 357.366 1.713 0 40 FDAB O=C(Nc1ccc2c(n1)OCCO2)[C@@H]1CCN(C(=O)c2ccccc2)C1 628071683 MUUDPFLAQJSBQJ-CQSZACIVSA-N 353.378 1.954 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cnn2c(-c3ccc(F)cc3)ccnc12 585171875 NEQJZWKZWGKIPE-ZDUSSCGKSA-N 374.397 1.452 0 40 FDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 96098240 KRCLVJPGWDLOQM-UHFFFAOYSA-N 371.402 1.903 0 40 FDAB O=C(c1cocn1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615124107 VCTOWBNEMAQJIT-UHFFFAOYSA-N 359.357 1.852 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 12117696 GYISPQRPPITPAF-UHFFFAOYSA-N 357.414 1.156 0 40 FDAB CCOC(=O)[C@H]1C[C@H](C(=O)OCC)[C@H](C(=O)OCC)C[C@@H]1C(=O)OCC 16922980 KRVFDQLWSXYEOD-XDQVBPFNSA-N 372.414 1.497 0 40 FDAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)CN 19585198 IVDGUDBBNHJWHU-HIFRSBDPSA-N 352.442 1.833 0 40 FDAB CN(C)Cc1ccc(CNC(=O)CC2CCN(S(C)(=O)=O)CC2)cc1 19748174 FBWWWXDHFHDXGD-UHFFFAOYSA-N 367.515 1.426 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)N(C)CCn2cccn2)[C@H]1c1nccn1C 668578895 ZHYZFMAWMRVJGJ-HOCLYGCPSA-N 358.446 1.075 0 40 FDAB C[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(N2CCOCC2)cc1 4504230 IQLRDJBGIRKFGV-CYBMUJFWSA-N 356.382 1.497 0 40 FDAB O=C([C@@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCSCC1 1888834202 SWCPKNHKEYUPDG-JTQLQIEISA-N 362.377 1.276 0 40 FDAB Cn1c(O)nc(N2C[C@@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)cc1=O 1888885443 JMTDFHNZEHXSLI-GHMZBOCLSA-N 370.438 1.063 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4n[nH]cc34)C[C@@H]2C1 1888926474 WRUFJMMAYJVPEW-CHWSQXEVSA-N 370.438 1.110 0 40 FDAB COCCN([C@H]1CCSC1)S(=O)(=O)c1cccc2nsnc12 26870437 MGJAAOPZHMAJTQ-JTQLQIEISA-N 359.498 1.834 0 40 FDAB Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)CCF)CC2 1565556695 RGUHMLXAHKNKAR-UHFFFAOYSA-N 364.446 1.698 0 40 FDAB CCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823074 PKJRINNZKRQJEE-UHFFFAOYSA-N 359.817 1.821 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CCc2ccccc2)CC1 2055746433 DPSHCACPLSSWMC-UHFFFAOYSA-N 369.469 1.572 0 40 FDAB Cn1cnc(N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)cc1=O 1775973622 LBMJTHCWNQIRQY-UHFFFAOYSA-N 369.812 1.719 0 40 FDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)C1CC1 20436007 PDWFLFVIIHQSPB-ZDUSSCGKSA-N 352.412 1.361 0 40 FDAB CCCNC(=O)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241509 BNBSMRVYZXQKCQ-NWANDNLSSA-N 358.446 1.583 0 40 FDAB CC(C)n1cnnc1SCC(=O)Nc1cccc(-c2nnnn2C)c1 28506034 SFJZHLBEBBQOPG-UHFFFAOYSA-N 358.431 1.780 0 40 FDAB CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C(=O)OC 8151857 VZCBFBGRVCOVON-XPTSAGLGSA-N 357.790 1.906 0 40 FDAB Cc1ccc(C(CO)(CO)OC(CO)(CO)c2ccc(C)c(C)c2)cc1C 1686603 KVXQEIKRYOOWDA-UHFFFAOYSA-N 374.477 1.997 0 40 FDAB O=C1OC[C@]2(C(=O)OCc3ccccc3)C(=O)C(=O)N(C3CCCCC3)[C@H]12 1714898 OIUSZHXYFDKCQE-FOIQADDNSA-N 371.389 1.386 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 3913088 GBJQFOSTBJONDG-OWLDWWDNSA-N 355.346 1.571 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8253968 MJDMFAWRQALCBS-BMFZPTHFSA-N 352.442 1.329 0 40 FDAB biogenic,in-vitro CCc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 52140722 DGOGVHKMZRIIHS-CQSZACIVSA-N 369.487 1.271 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)NC(N)=O 8718876 XOIKFRYXQLGIKT-VIFPVBQESA-N 371.235 1.211 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O 8849862 WCZSODGSMKHCGG-UHFFFAOYSA-N 373.413 1.154 0 40 FDAB COc1cc2c(cc1OC)CN1C(Nc3nc(C)cc(C)n3)=NC(=O)[C@@H]1C2 9482495 HUWRCUNUJGTRDU-AWEZNQCLSA-N 367.409 1.846 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102915312 QRCKQLURDRBYPT-GJZGRUSLSA-N 357.410 1.550 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1-n1cnnn1 103119461 RWBOTCMJUTZAIR-OKILXGFUSA-N 368.397 1.084 0 40 FDAB CCOc1cccc2c(C)nc(NC3=NC[C@H](CC(=O)OC)C(=O)N3)nc12 22607747 RQTAUUDHTCGGJF-NSHDSACASA-N 371.397 1.414 0 40 FDAB Cc1cccc(OC[C@@]2(CNC(=O)c3cccnc3)C[C@H](O)[C@H](O)C2)n1 107430239 SXEZAKNLHTYZFV-HGKCTWBKSA-N 357.410 1.096 0 40 FDAB biogenic,in-vitro O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 106152129 GSMKNLSBCFZLRD-SRVKXCTJSA-N 370.409 1.097 0 40 FDAB COc1cc(Br)c(OC)c(C(=O)NCCNC(=O)C(C)C)c1 24980122 SYFODXJRJFWRFK-UHFFFAOYSA-N 373.247 1.968 0 40 FDAB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 54670784 WVHMSXRPJVKDIL-LBPRGKRZSA-N 352.387 1.288 0 40 FDAB CCn1ncc(Br)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 28223738 OZDOPOLAXDHWMT-UHFFFAOYSA-N 373.232 1.565 0 40 FDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O 10029791 JCLIDBLPZDSGEG-BBATYDOGSA-N 363.414 1.386 0 40 FDAB O=C1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCN1 48290907 XRLOJRMXUFNQGE-UHFFFAOYSA-N 363.211 1.940 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC(F)F)cc2)cc1 3517674 BPKROGLQLXPBAQ-UHFFFAOYSA-N 370.377 1.908 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@@H]1C 13001173 LGPIWWNSWVIXLV-JFIYKMOQSA-N 369.465 1.999 0 40 FDAB Cc1ccc2c(COC(=O)CCCN3C(=O)CN(C)C3=O)cc(=O)oc2c1 8428925 KSQHAKJTJUNIIC-UHFFFAOYSA-N 372.377 1.819 0 40 FDAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)N2CCOCC2)cc1 4275633 KTPPFABNGRULEH-UHFFFAOYSA-N 354.472 1.693 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)c2ccccc2)cc1 4350856 CUBTUOYYGVLLAD-GFCCVEGCSA-N 354.362 1.919 0 40 FDAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCOCC2)C1=O 4352480 JMSZXZTZNIWMKW-UVTDQMKNSA-N 362.407 1.590 0 40 FDAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)s1 8777682 QUJDSHBGBWGGNT-ZETCQYMHSA-N 374.382 1.557 0 40 FDAB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-n2ccnn2)c1 89780898 UCQFMSPVXGOLHD-AWEZNQCLSA-N 352.373 1.810 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 6679652 WPWDXVZINUHXEV-UHFFFAOYSA-N 355.419 1.741 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1 6999929 ARBJAHJFPQGUDK-UHFFFAOYSA-N 364.409 1.737 0 40 FDAB CN(C)Cc1ccccc1CNC(=O)Cn1cnc2ccccc2c1=O 6992718 JUTIDIKAAJEGTR-UHFFFAOYSA-N 350.422 1.775 0 40 FDAB CCNCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 7141493 AGFWUOYLUKPONR-UHFFFAOYSA-N 355.460 1.418 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccnn1C)C2 306131089 JWJWYZIEEDFYIP-INIZCTEOSA-N 369.469 1.568 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2OC)c2ccccc2O1 7826112 USSONGJOGRXFBE-KRWDZBQOSA-N 356.378 1.614 0 40 FDAB CCN(CC)CCN/C(C)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 19361364 KLKCFJJGXATAFU-DTQAZKPQSA-N 374.441 1.483 0 40 FDAB COc1ccccc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 96000655 UVGSZHBWPSXQHS-GFCCVEGCSA-N 350.444 1.703 0 40 FDAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCCCO)cn(C3CC3)c12 9531524 XXQWDTBVHAVUKC-UHFFFAOYSA-N 352.337 1.735 0 40 FDAB CCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CCN(CCO)C3)c1C 71890387 KZDVPQZMHKCEES-UHFFFAOYSA-N 371.485 1.845 0 40 FDAB Cc1nn(C)c(=O)c(C(=O)NCC(=O)N2CCCc3ccccc32)c1C 84057782 CZQLFLZWMYQSGV-UHFFFAOYSA-N 354.410 1.106 0 40 FDAB COCCn1nc(C)c(NC(=O)C(=O)NCc2cnc(C)s2)c1C 84013946 ATZAAEJRAZDUMB-UHFFFAOYSA-N 351.432 1.166 0 40 FDAB CC(C)CC[C@](C)(O)CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 72304535 PWDGWYXVWTYRLI-BEFAXECRSA-N 350.459 1.874 0 40 FDAB CC[C@](C)(CCCNC(=O)c1cccc(OCC(N)=O)c1)C1OCCO1 72306327 PGVCPRPFZMFOEO-LJQANCHMSA-N 364.442 1.850 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1 72402630 ILGIKKKCVIRIEZ-HNNXBMFYSA-N 372.429 1.342 0 40 FDAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207265 DFRXAVFFXJYVCD-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CCOc1cc(C)ccc1NC(=O)N1CCCN(S(N)(=O)=O)CC1 95460886 FBLYXLQUNYTUCJ-UHFFFAOYSA-N 356.448 1.137 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC 95972919 LDOFWIFBSXOXNO-ZIAGYGMSSA-N 372.487 1.088 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@]2(CN(Cc3ccccc3)c3cccnc32)C1 306123636 ASRNVADKBCSLMD-LJQANCHMSA-N 372.494 1.852 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408595007 RPVRURPPMGTCSA-NXEZZACHSA-N 364.851 1.167 0 40 FDAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)ncn1 79438993 SRWGJWVABQOQOF-NSHDSACASA-N 352.391 1.386 0 40 FDAB O=C(NCc1ccc2c(c1)C(=O)NCC2)NCc1cn2ccsc2n1 543644086 CCOBREVXQUQGDA-UHFFFAOYSA-N 355.423 1.681 0 40 FDAB O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)N1CCCC1 39972185 KDXRADVEIJSHJN-UHFFFAOYSA-N 355.442 1.477 0 40 FDAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO)c1ccccc1 217476937 RKFUZCONOJWGTO-LBPRGKRZSA-N 364.423 1.829 0 40 FDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2cc(NC3CC3)ncn2)CC1 562721085 ALQAGVAHPVQHOA-AWEZNQCLSA-N 358.490 1.620 0 40 FDAB COC(=O)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058361 IBDNOBSYOAASPQ-CQSZACIVSA-N 372.418 1.048 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 85344812 YKMQWSPCSGHYAC-CQSZACIVSA-N 363.391 1.667 0 40 FDAB COc1ccc(C(=O)N2C(=O)CN(C)C(=O)c3ccccc32)cc1OC 40385933 NJCLXBFIRSYMPH-UHFFFAOYSA-N 354.362 1.963 0 40 FDAB Cc1nnc([C@H]2COCCN2S(=O)(=O)Cc2noc3ccccc23)o1 569066441 BYTZAIVTRFKGIZ-CYBMUJFWSA-N 364.383 1.423 0 40 FDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(Br)cc1 40386558 PNRUIDICQHGLNF-QMMMGPOBSA-N 350.176 1.638 0 40 FDAB CN1CCC(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)CC1 222507188 RVAOGCPLOWKGFF-UHFFFAOYSA-N 359.879 1.560 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 224382760 YTAFPRXAWLISSV-CQSZACIVSA-N 357.451 1.003 0 40 FDAB Cn1nnnc1COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 96101294 GFRQTOYXANNSNK-UHFFFAOYSA-N 353.338 1.770 0 40 FDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 96049490 DVDBKZSDJAYBKQ-HXUWFJFHSA-N 361.486 1.356 0 40 FDAB Cn1ccnc1CN1CCC[C@]2(C(=O)O)CN(Cc3ccoc3)C[C@@H]2C1 96185217 UIBSGZHCZZTADS-LPHOPBHVSA-N 358.442 1.812 0 40 FDAB O=C(NCc1nnc2ccccn12)c1cc(-n2cnnn2)ccc1Cl 95479500 LXUDBPKPILUAMX-UHFFFAOYSA-N 354.761 1.288 0 40 FDAB Cn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 96231552 NHTUYBFJUOHQDJ-UHFFFAOYSA-N 353.430 1.578 0 40 FDAB COc1cccc(O[C@H]2CCN(C(=O)c3ccnc(C)n3)CC[C@@H]2O)c1 257331749 XUCASFCKYNNNCL-ROUUACIJSA-N 357.410 1.838 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)CN3CCCCC3)CC2)C[C@@]1(C)CO 257292069 QJVKMJUFDMIEQS-SFHVURJKSA-N 351.491 1.084 0 40 FDAB Cc1cc(-c2cncn2C)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257249704 JJKBIXIUXNRPAQ-ZDUSSCGKSA-N 350.448 1.129 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)Cc2c(C)noc2C)CC[C@@H]1O 257324523 WPCGVVHYGHAMNT-WMZOPIPTSA-N 359.426 1.968 0 40 FDAB Cn1cnc(S(=O)(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)c1 257275868 NRIIEJQKIGPVRI-HNNXBMFYSA-N 351.432 1.104 0 40 FDAB O=C(c1nnc(O)nc1O)N1CCN(c2ccc(Cl)cc2Cl)CC1 617790477 RCOBJJIZHVXHHG-UHFFFAOYSA-N 370.196 1.552 0 40 FDAB CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1)C2 630672643 LFCJRXWELNRGAZ-JKSUJKDBSA-N 358.442 1.565 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1Cc1cc2c(cc1Cl)OCCO2 643829713 IATOFEUBQCJZMA-KRWDZBQOSA-N 354.834 1.838 0 40 FDAB O=C1NCCc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21 677775443 KYNZRQATFYDXKV-UHFFFAOYSA-N 369.400 1.861 0 40 FDAB CCO[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 684530647 SGNGWWDRNPIPTL-MGPQQGTHSA-N 367.243 1.874 0 40 FDAB CNC(=O)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)cc1 569456879 NFBNXJRVNCFCEH-DOMZBBRYSA-N 363.414 1.776 0 40 FDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccc(C)cc1 575422222 TXDPSJXKQTYUDE-STQMWFEESA-N 371.484 1.193 0 40 FDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(C(=O)c1cccc(O)c1)C2 575404053 PKANTGGPBISROQ-CQSZACIVSA-N 350.440 1.197 0 40 FDAB O=C(COc1ccccc1)N1CCOC[C@](O)(COc2ccccc2)C1 585278372 SLAGQVMTFWQBFF-FQEVSTJZSA-N 357.406 1.734 0 40 FDAB O=C(c1ccnnc1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 585094049 VJHQQAFBFXLVPL-SZMVWBNQSA-N 354.410 1.566 0 40 FDAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)C2(c4ccccc4F)CC2)C3)o1 685941363 RVLCKKJDHZAXMH-DJJJIMSYSA-N 357.385 1.975 0 40 FDAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)c2c(=O)[nH]n(C)c2n1 56405952 FIJXJINHMYWLHY-UHFFFAOYSA-N 368.397 1.054 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102337640 RAQGODYBPDFUIG-HUUCEWRRSA-N 373.384 1.174 0 40 FDAB Cn1cc(N2[C@@H](C(=O)O)CC[C@@H]2C(=O)N2CCc3c(F)cccc32)cn1 630670501 WYHKGBMVYULJLV-HZPDHXFCSA-N 358.373 1.571 0 40 FDAB COc1cc(NC(=O)CSc2nc(O)cc(=O)[nH]2)cc(OC)c1OC 5095319 RTWDPCJGNRPOPD-UHFFFAOYSA-N 367.383 1.232 0 40 FDAB COc1ccccc1C[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1 12196655 SVHQVMYNNUCZNB-AWEZNQCLSA-N 356.426 1.683 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@@H]1CN1CCCC1 12238132 YEIXLPCXYXNPRW-OAHLLOKOSA-N 354.454 1.943 0 40 FDAB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)c1ccccc1 12809753 ONKULJNJCOXUIN-LBPRGKRZSA-N 352.346 1.917 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@H](c3cc4ncccc4c(O)n3)C2)c(=O)n1C 19131560 PSOMWDIRCHNDFV-CYBMUJFWSA-N 364.405 1.972 0 40 FDAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)NCCN1CCOCC1 19347163 NBPZCUYFNHVNBS-UHFFFAOYSA-N 370.375 1.894 0 40 FDAB COCCN(C(=O)c1ccc2c(c1)ncn2C)C1CCN(C(C)=O)CC1 19718638 PORHVQBWJSRWDF-UHFFFAOYSA-N 358.442 1.673 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 6247543 ZYTHOENMBCTSIX-LFIBNONCSA-N 368.393 1.609 0 40 FDAB CCn1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2C)c1=O 23136361 KZKWDOUZRXPFJS-UHFFFAOYSA-N 361.471 1.815 0 40 FDAB Cc1ccc(OC[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)nn1 1888901220 YIHNUYFRSBQUGE-HNNXBMFYSA-N 364.409 1.907 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3cnc(O)c(Cl)c3)CC2)nc1 1889139458 ZMDGWRASKUQKTI-UHFFFAOYSA-N 364.789 1.923 0 40 FDAB NC(=O)c1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1F 31987441 IUUMXNLEZDWTLU-UHFFFAOYSA-N 366.352 1.782 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)NC3(CCCC3)C1=O)CC2 33530621 NBCPWJTYGJMGGS-UHFFFAOYSA-N 359.426 1.884 0 40 FDAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)C3=CC=NC(=O)C3)C2)C1 2056224702 QJTRFWNQPCAWGM-FQEVSTJZSA-N 369.469 1.552 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]2O1 1565548658 GZLQJWLQZYBBJC-IMJJTQAJSA-N 359.426 1.331 0 40 FDAB COC(=O)[C@H]1C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1ncn(C)n1 1565549096 PTUPHESSZQRCBR-HZPDHXFCSA-N 371.441 1.093 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499755 KRQAIIOQAJZWPX-UHFFFAOYSA-N 370.390 1.607 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N2CCOCC2)cc1 23106875 NHFYONRFTFXTJJ-GOSISDBHSA-N 359.470 1.543 0 40 FDAB CCn1c(O)nc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 2086865334 LBSLJHNLIWUPHC-UHFFFAOYSA-N 354.414 1.887 0 40 FDAB Cn1cc(-c2cc(CNC(=O)c3cnn(-c4ccccc4)n3)ccn2)cn1 575618053 HOQWVKQWYLHOEZ-UHFFFAOYSA-N 359.393 1.993 0 40 FDAB CN(C)c1nc(NC(=O)NC(=O)c2c(F)cccc2F)nc(N(C)C)n1 1869747 ADNSNBWGONLUBY-UHFFFAOYSA-N 365.344 1.244 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4131631 AYUOOUUEVWCLKN-YTBGYOSVSA-N 350.367 1.989 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)n1 6593884 GVZCMHAUQBFOBU-UHFFFAOYSA-N 354.823 1.872 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101709713 WJRQKUIGLOYRLP-SOUVJXGZSA-N 360.483 1.125 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccccc1Br 32689177 ZXZBKEDJBUEHGQ-UHFFFAOYSA-N 366.171 1.341 0 40 FDAB O=C(CCn1cnc2ccsc2c1=O)N1CCN(c2ccccn2)CC1 32801688 PUOOASXSIPBZGU-UHFFFAOYSA-N 369.450 1.592 0 40 FDAB Cc1cc(O)n2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nc2n1 102721128 HXPWLNKGMVHUJB-UHFFFAOYSA-N 370.388 1.169 0 40 FDAB COc1cccc(OCCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 103072964 MJQCNWVZCOHAIC-HZPDHXFCSA-N 360.410 1.365 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68533532 UBYBDLVNQLMTEX-GXTWGEPZSA-N 357.435 1.788 0 40 FDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCCCNC1=O 47275085 ALAHPNUBPAQITR-SFHVURJKSA-N 365.433 1.868 0 40 FDAB C[C@H](OCC(F)(F)F)C(=O)NCCNS(=O)(=O)Cc1ccccc1 43045107 JSESSXIORYJICT-NSHDSACASA-N 368.377 1.190 0 40 FDAB CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1N1CCOCC1 12534670 ZZBIKJBZLYNJPM-UHFFFAOYSA-N 362.474 1.579 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3Cl)nnc12 1422953 KZEANOGWBGYLDX-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1 25608784 RJQVNRCLVBKQHV-UHFFFAOYSA-N 350.843 1.868 0 40 FDAB C[C@H]1CC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)N1 26780233 AKIJNLMQHHSTSZ-RYUDHWBXSA-N 370.544 1.752 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCC3(c4ccccc4)CCC3)cnc21 10222033 LCHORPFVOJEREW-UHFFFAOYSA-N 351.410 1.368 0 40 FDAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12612422 VZANXOWQDCJGTI-BBRMVZONSA-N 356.513 1.751 0 40 FDAB COc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1OC 3391248 CEOJGJNOZBFKJZ-UHFFFAOYSA-N 350.400 1.654 0 40 FDAB CCN1CCc2c(sc3c2c(NCCCN(C)C)nc2nnnn23)C1 2341177 PHPZWEPRXBOQRZ-UHFFFAOYSA-N 360.491 1.476 0 40 FDAB C[C@H](NC(=O)N[C@H](C)c1nnc2ccccn12)c1nnc2ccccn12 12779533 MMTVPBCXSJPHOZ-TXEJJXNPSA-N 350.386 1.893 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc[nH]1 48353525 OFSXHFPXDROHET-MRXNPFEDSA-N 352.394 1.772 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 12818077 FVEOANIDJJFTPB-UHFFFAOYSA-N 369.381 1.254 0 40 FDAB Cc1ccc(-c2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12812132 MODGIQLSHZGTFB-CYBMUJFWSA-N 352.485 1.993 0 40 FDAB Nc1c(C(=O)CSc2ncnc3ccccc23)c(=O)[nH]c(=O)n1C1CC1 8230101 UEUBMHABFLPMLX-UHFFFAOYSA-N 369.406 1.372 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)[C@H]3COc4ccccc4O3)nc2s1 5321317 UHENJJRFSREHES-CYBMUJFWSA-N 373.390 1.597 0 40 FDAB NC(=O)NC(=O)CCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 14158775 FRJHFMZEUIZKQJ-UHFFFAOYSA-N 359.352 1.198 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cnn(-c3ccccc3)n1)C2=O 14140935 MPOXTHGKFCMDGF-UHFFFAOYSA-N 368.397 1.413 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1ccccc1F)C(F)(F)F 4653795 QEVIVYMOLANIDP-CQSZACIVSA-N 360.263 1.433 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 8775936 QTZDGPVWIPDWDT-UHFFFAOYSA-N 374.466 1.485 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCCC[C@H]1CO 5659373 XQEVMBABMQZHAU-ZDUSSCGKSA-N 371.528 1.789 0 40 FDAB CCOC(=O)C1=C(N)OC2=C(C(=O)O[C@H](C)C2)[C@]12C(=O)Nc1ccccc12 4862923 KYKFYHXAKITAHY-HOGDKLEQSA-N 370.361 1.230 0 40 FDAB CCCn1c(N)c(C(=O)CSC(=S)N(CC)CC)c(=O)[nH]c1=O 5988534 DPBINQQKTLIQKA-UHFFFAOYSA-N 358.489 1.071 0 40 FDAB CCN(C)S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002615 ITBVRWPRCIULIL-ZDUSSCGKSA-N 353.423 1.185 0 40 FDAB COCc1nc(CN2CCC(NC(=O)c3scnc3C)CC2)no1 96002298 NIEFDFBNIIAGJM-UHFFFAOYSA-N 351.432 1.375 0 40 FDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)NC(=O)NCCc1cccs1 9313945 DSAJLXUUFGQWJA-UHFFFAOYSA-N 368.440 1.151 0 40 FDAB CCCc1cc(N2CCN[C@@H](C(=O)NCc3ccccn3)C2)nc(C)n1 72145316 DLQJHPYEVHBTLE-QGZVFWFLSA-N 354.458 1.227 0 40 FDAB O=C(O)CC1(NC(=O)CNS(=O)(=O)c2cccs2)CCCCC1 95970270 YXIWHIRWWIUMPY-UHFFFAOYSA-N 360.457 1.320 0 40 FDAB COc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1S(=O)(=O)N(C)C 9912025 JJBSRGPLQMPMQM-LBPRGKRZSA-N 370.427 1.025 0 40 FDAB COc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 23462145 MQGRPNTYCKAQKF-UHFFFAOYSA-N 352.398 1.334 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 306127316 FVIBWSMRUQIWLJ-ARFHVFGLSA-N 358.467 1.723 0 40 FDAB COc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)cc1 306139878 UDJFGDOKYHALKE-HOTGVXAUSA-N 369.469 1.729 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3c(C)nn(C)c3C)ccc21 72264778 AKNWPLYAGRXEHG-UHFFFAOYSA-N 364.427 1.443 0 40 FDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217533819 STXWSQOQZCHZLV-GFCCVEGCSA-N 374.459 1.537 0 40 FDAB CC(C)Cc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1 31710057 ICFLCMKHTPEFLJ-UHFFFAOYSA-N 366.443 1.263 0 40 FDAB C[C@H](C(=O)O)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326484 ZLVHYSNXCHQSOG-JDNHERCYSA-N 351.790 1.677 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)o1 96062377 FPNMPPPKHFSZTP-LJQANCHMSA-N 358.442 1.686 0 40 FDAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4ccnnc4)C3)CC2=O)cs1 96077592 IXNYHZZSTJUFNX-KRWDZBQOSA-N 357.439 1.506 0 40 FDAB O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(nc3ccccn3c2=O)O1 96231955 BYFISESHDJBZCQ-GFCCVEGCSA-N 359.341 1.977 0 40 FDAB CN(Cc1ccco1)[C@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1 96048036 XXJKOUWDIZPETJ-CQSZACIVSA-N 354.472 1.827 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244552 AFAXDLXJAITWAV-QGZVFWFLSA-N 366.487 1.430 0 40 FDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 96209286 RAIZLEIVWCRMCJ-CQSZACIVSA-N 352.398 1.363 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccccn3)C2=O)cc1 96224221 KEOBWPPUYLDURT-INIZCTEOSA-N 368.393 1.217 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(S(C)(=O)=O)C1 96244551 YDLMEPOXGWLRGS-INIZCTEOSA-N 352.460 1.040 0 40 FDAB COc1ccccc1-n1nc(C)nc1CN(C)[C@H]1CCS(=O)(=O)C1 96133239 IGYMGMNGOKJBAM-ZDUSSCGKSA-N 350.444 1.203 0 40 FDAB O=C(COc1ccc(/C=c2\sc3ncnn3c2=O)cc1)N1CCCCC1 256055551 KYKBCLYSESKTAQ-GDNBJRDFSA-N 370.434 1.090 0 40 FDAB O=S(=O)(N1CCOCC1)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257311013 UHOGVNXGFYBBKN-HNNXBMFYSA-N 361.467 1.676 0 40 FDAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cncs3)n2)CC1 257280817 OMNWCRAJZRPBKV-UHFFFAOYSA-N 353.473 1.586 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1Oc1ccc(F)cc1 257276657 NUQGJSQKFWIRDX-YOEHRIQHSA-N 374.416 1.584 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1occc1C)CC2 253480036 UNUPPPVMROLURG-AWEZNQCLSA-N 370.471 1.348 0 40 FDAB CN(C)c1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)cn2nccc12 257334978 YICBPIJEARATST-CYBMUJFWSA-N 351.414 1.605 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(c4cnccn4)C3)ccnc12 257223241 DWMXAHHNDDONFP-CYBMUJFWSA-N 351.414 1.605 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85467028 IBQBCKCNXZPZBS-QGZVFWFLSA-N 354.472 1.163 0 40 FDAB Cc1c(NC(=O)[C@]2(C)CCN(C)C2=O)cccc1N1C(=O)N[C@@H](C)C1=O 635932698 AAHXQJHMVBBARN-VOJFVSQTSA-N 358.398 1.247 0 40 FDAB COC(=O)[C@H]1CCc2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C1 601043962 FQYHGWIAVPKCCA-LBPRGKRZSA-N 367.409 1.971 0 40 FDAB N[C@H](c1cn(C[C@@H](O)COc2ccccc2Cl)nn1)[C@H]1CCCO1 641204511 FYDGVAYLRKREQL-HFBAOOFYSA-N 352.822 1.550 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(OC)c(C)c1C 643972735 YOMRXWNADJWUBD-INIZCTEOSA-N 357.428 1.566 0 40 FDAB CCc1nnc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)s1 650042067 FFCOGUDTGRTFQX-UHFFFAOYSA-N 372.454 1.987 0 40 FDAB Cc1ccc2nc(C(=O)NCCNc3cc(C)nc4ncnn34)cn2c1 1148660563 LRQQRIZKXFNEKZ-UHFFFAOYSA-N 350.386 1.231 0 40 FDAB COc1ccc(N2CCN(S(=O)(=O)c3cccnc3)[C@H](C)C2=O)cc1 72167914 LRIYXGFZVIIKAP-CYBMUJFWSA-N 361.423 1.516 0 40 FDAB CN(C(=O)CN1CCCC1)[C@@H]1CCCN(C(=O)c2cnc3[nH]cnc3c2)C1 1775986823 GXMCDCHJBFLMAL-OAHLLOKOSA-N 370.457 1.117 0 40 FDAB Cc1cc(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)ccc1F 585282685 MRTVUWOVGYVGGY-HKUYNNGSSA-N 353.434 1.616 0 40 FDAB CN(C(=O)[C@H]1CCCCO1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565522069 IDIVMJGAYQGQGP-CQSZACIVSA-N 372.473 1.638 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(Cc2ccccc2)nn1 901214596 BORIBBZKNUTQTP-OAHLLOKOSA-N 357.439 1.682 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnn(OCCOc3ccccc3)c2c1 5457385 WWHGRJBHWHWODF-UHFFFAOYSA-N 362.411 1.189 0 40 FDAB OC[C@@H]1O[C@H](n2c(C(F)(F)F)nc3cc4ccccc4cc32)[C@@H](O)[C@@H]1O 5487723 OSDOIUWYXRFOJG-XGUBFFRZSA-N 368.311 1.820 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@@H]1c1cccnc1 12147993 FLTSQEZFAHYYMN-QFBILLFUSA-N 355.442 1.501 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cnccn3)CC1)O2 12225575 UBTPBENNWAWHKZ-UHFFFAOYSA-N 352.394 1.582 0 40 FDAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCc3ccncc3)cc2s1 13690278 YILCBEWSJDGMIQ-UHFFFAOYSA-N 362.436 1.993 0 40 FDAB O=c1cc(CN2CCN(c3ncccn3)CC2)nc2sc(C3CC3)nn12 15731879 VQSYHCVOVCWXLD-UHFFFAOYSA-N 369.454 1.141 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19457634 RXGSIOSRQRPNEL-HNNXBMFYSA-N 368.485 1.703 0 40 FDAB COCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C)CC3)cc1 19710787 USHGWBTWFKMPAD-QGZVFWFLSA-N 369.469 1.890 0 40 FDAB COCCOC(=O)C1=C(OC)NC(=O)N[C@H]1/C=C/c1ccccc1OC 2672474 URNCHTIVANWXJL-XEHSLEBBSA-N 362.382 1.437 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888855778 ITBZSUVALMOGAG-OKILXGFUSA-N 354.458 1.716 0 40 FDAB Cc1cc(N2CCN(c3ncnc4ncn(C)c34)CC2)nc(C2CC2)n1 1888875939 OZTOXGNJHXNIKK-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB Cn1ccnc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 1888906783 XFWURELWZDLOMK-UHFFFAOYSA-N 357.439 1.932 0 40 FDAB CCN=c1cc(C)nc(N2CCN(CC(=O)N3CCCCCC3)CC2)[nH]1 1889128375 DVXQUDUWANWFKN-UHFFFAOYSA-N 360.506 1.163 0 40 FDAB COCCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 30883015 VABCJGRATNMXNH-UHFFFAOYSA-N 370.405 1.820 0 40 FDAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 32816096 IRMZXYGUELCKTK-WDEREUQCSA-N 363.405 1.878 0 40 FDAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCCNC1=O 32913424 ISINVTRHFIXUON-CVEARBPZSA-N 373.453 1.380 0 40 FDAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1260064810 RYZWANPDBSBMTH-STQMWFEESA-N 350.469 1.603 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565544643 PGHDBFGPEASVIH-KCTOORRSSA-N 358.438 1.497 0 40 FDAB COc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)n1N 5257371 AODVAYJXVOEGQI-UHFFFAOYSA-N 362.440 1.855 0 40 FDAB COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C 9571474 FROQBPUIDVBIIF-UHFFFAOYSA-N 372.356 1.190 0 40 FDAB CCOC(=O)CCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 9789841 CKQJOYRAVIMCAU-UHFFFAOYSA-N 362.386 1.192 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)N1CCCC1 11898237 TVPKATQTRFZMMO-MRXNPFEDSA-N 360.483 1.656 0 40 FDAB CC(=O)N1CC[C@@H](CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)C1 585503239 AMBKGXQLALQVLI-KRWDZBQOSA-N 358.486 1.701 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)cc1 253470890 AEEKKGAEVXQEIO-GFCCVEGCSA-N 350.400 1.355 0 40 FDAB CCc1c(C(=O)NCCCN(C)C(C)C)cnn1-c1ccc(OC)nn1 40090697 RNEJPZOPMOVPIO-UHFFFAOYSA-N 360.462 1.693 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)[C@H]1Cc2cc(Cl)ccc2O1 40108973 USZDFPZBQRNWET-OAHLLOKOSA-N 355.785 1.936 0 40 FDAB CCSc1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc2n1 20190976 MWWDDTHJBBHDGH-UHFFFAOYSA-N 367.434 1.888 0 40 FDAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN(C)CC(OC)OC 2454150 MMWSKDFGVVORGQ-UHFFFAOYSA-N 363.414 1.752 0 40 FDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@H]2CCCCNC2=O)c(C)c1 45666830 CRHQASMFQJFIHN-HNNXBMFYSA-N 360.458 1.860 0 40 FDAB NC(=O)[C@H]1CN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c2ccccc2O1 28935838 VAYUHQQPZFTCEE-BXUZGUMPSA-N 371.359 1.540 0 40 FDAB Cc1ccc2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2c1 11429257 NSJCXMNLAONEIK-UHFFFAOYSA-N 354.395 1.687 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1-n1cnnn1 31995709 LCQKSJIWGQPQFN-BBRMVZONSA-N 358.427 1.363 0 40 FDAB CN1CCN(CCCNC(=O)c2nc(-c3ccc4cc[nH]c4c3)no2)CC1 20678105 BAJOWRRTYZWPAO-UHFFFAOYSA-N 368.441 1.585 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O 37178558 WYFGKTRBDJBBIR-GOSISDBHSA-N 374.397 1.627 0 40 FDAB CCOC(=O)C1=NO[C@@]2(CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)C1 633651 IRMXHUMHSLQBHJ-OAHLLOKOSA-N 354.721 1.821 0 40 FDAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103628002 GVZNECSEVODKFR-GREKMHCPSA-N 358.394 1.858 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@@H]1COc2ccccc2C1 104080691 OSTMKMNGPGWHOC-OIISXLGYSA-N 370.449 1.919 0 40 FDAB Cn1c(NC(=O)C2c3ccccc3Oc3ccccc32)cc(=O)n(C)c1=O 997288 SGIASCCTFOWOLZ-UHFFFAOYSA-N 363.373 1.960 0 40 FDAB Cc1ccc(OC[C@@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)c(C)c1 42757594 GSLVEHJQQMLOGI-AWEZNQCLSA-N 367.405 1.552 0 40 FDAB CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)cc1 1247460 VLXVKESLGUTVND-YVLHZVERSA-N 364.430 1.391 0 40 FDAB O=C(CNC(=O)Cc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1 24816941 BSSUJUZQWANXLA-GOSISDBHSA-N 351.450 1.988 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 25060869 QJKFPAOYFNZHSS-UHFFFAOYSA-N 366.439 1.153 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c1 57312590 BTPAXCUMDIAERA-AWEZNQCLSA-N 353.426 1.828 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)c1c[nH]c2ccccc12 22357441 GFGHFAXNYUQNQK-LLVKDONJSA-N 357.366 1.614 0 40 FDAB CC(C)c1noc([C@@H](C)N2CCN(CCNC(=O)c3ccco3)CC2)n1 58014232 OTBRMCNXMTVTRY-CQSZACIVSA-N 361.446 1.895 0 40 FDAB CCc1ccccc1NCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 10049280 MJWIMCHVDOYIII-UHFFFAOYSA-N 366.425 1.659 0 40 FDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2nccs2)CC1 10270155 ZPLASJLZBXEBDQ-UHFFFAOYSA-N 371.422 1.309 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C)n2C)n1 3399005 WZFFCMDHFPACQJ-UHFFFAOYSA-N 374.426 1.989 0 40 FDAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCC3 2115243 SSCQBGTYSDKBPR-QWRGUYRKSA-N 359.378 1.947 0 40 FDAB biogenic COC(=O)c1cc(NCC(=O)N(C)Cc2cnn(C)c2)cc(C(=O)OC)c1 58357742 HGZHYNYFONHBIY-UHFFFAOYSA-N 374.397 1.064 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2NC1=O 12745380 BNJHBMMXIONDCZ-LLVKDONJSA-N 357.410 1.993 0 40 FDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncnc2c1cnn2C 12933194 SUYBFNPRCZQLEL-UHFFFAOYSA-N 350.304 1.856 0 40 FDAB C[C@@H]1COCCN1C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 67932319 YBIAWLGIMGMXBX-RHSMWYFYSA-N 361.442 1.526 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3cccc(Cl)c3)ccc21 49548052 SBTGLGOFVFBILD-UHFFFAOYSA-N 372.812 1.785 0 40 FDAB CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 5103444 ZNZGSHMKSDHSCU-AWEZNQCLSA-N 353.440 1.444 0 40 FDAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 8185919 UUKKPCKQSUSRPU-CQSZACIVSA-N 372.454 1.581 0 40 FDAB C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(N)=O)n1-3 5501310 OCAMYYKRQXODMG-ZETCQYMHSA-N 373.467 1.592 0 40 FDAB CC(=O)NCc1ccc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)o1 6905366 OSFNDTHAYDTRAT-KRWDZBQOSA-N 359.334 1.482 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1N1CCOCC1 8747410 VYMORIVFSLKKDB-UHFFFAOYSA-N 370.434 1.933 0 40 FDAB C/C(=C\C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CC1 96309060 JHMHIVHAVQBFIB-ZHACJKMWSA-N 353.444 1.481 0 40 FDAB CCC[C@H]1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)CCN1CCOC 95452154 OOPGKZZKYVLYTB-INIZCTEOSA-N 374.485 1.299 0 40 FDAB CC(=O)N1CCC(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)CC1 95469109 NYQGEXHJCFAIKV-LJQANCHMSA-N 358.486 1.102 0 40 FDAB COC(=O)[C@@](C)(O)CN1CCO[C@H](c2cccc(Br)c2)C1 95961036 XEYBVDKSXOUEBL-ZFWWWQNUSA-N 358.232 1.746 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 218168002 SKANLEXBWIVOHE-ROUUACIJSA-N 374.462 1.567 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306140832 VEVXHQJXAHTSBO-STQMWFEESA-N 357.483 1.926 0 40 FDAB O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1Cc1cccc2ccccc12 78443690 PPHCZIMELKFSMO-UHFFFAOYSA-N 358.419 1.839 0 40 FDAB Cc1ncc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cn1 72338959 WQNBYVWVTAWNIA-SFHVURJKSA-N 373.482 1.727 0 40 FDAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1nccnc1C(=O)O 72400730 WJSPOMKCHORTBT-UHFFFAOYSA-N 366.333 1.950 0 40 FDAB O=C(O)CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 34926615 HMLJIMYGABUKHJ-UHFFFAOYSA-N 371.393 1.155 0 40 FDAB COc1ccc(Cc2nnc(NC(=O)c3nccnc3C(=O)O)s2)cc1 72406086 JYLCTNARPVPQAX-UHFFFAOYSA-N 371.378 1.878 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 565810619 OFAXNWUBDSDYBO-YUELXQCFSA-N 372.437 1.823 0 40 FDAB COCCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 224982609 QVGBCNUGNSRYGZ-UHFFFAOYSA-N 358.460 1.031 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2)s1 225628099 XCPJFIYQBWQZAH-UHFFFAOYSA-N 372.497 1.708 0 40 FDAB CC(=O)Nc1ncc(S(=O)(=O)NCc2cnn3c2CCCC3)s1 225613785 JNKBRJLQCPKKHL-UHFFFAOYSA-N 355.445 1.113 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCNC[C@@H]1c1ccncc1 573676508 ZGSZTPBQMZUYAO-QGZVFWFLSA-N 359.451 1.580 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2ccccc2C)CC1 48367505 UUQGUTTVIOESHN-CQSZACIVSA-N 360.458 1.423 0 40 FDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1 75157315 NWBLACZTHGBJQT-LLVKDONJSA-N 354.291 1.841 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148896 XDPRCKHLOCPUTG-KZULUSFZSA-N 365.389 1.778 0 40 FDAB CNC(=O)c1ccc(CS(=O)(=O)N2CCC[C@@H](OCC3CC3)C2)cc1 333404260 JCAPAVOGIKQRIU-QGZVFWFLSA-N 366.483 1.767 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1cccs1)CCN(C(=O)N(C)C)C2 96036209 ZLYOMHPNNGDWCS-SFHVURJKSA-N 364.515 1.786 0 40 FDAB COc1c(Br)c(C(=O)NCCCn2nc(C)cc2C)nn1C 96181016 UYMFUGBNIKLSOW-UHFFFAOYSA-N 370.251 1.825 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cc(C)on3)C2)O1 96216120 OYCAJOITBMBJNB-HZPDHXFCSA-N 357.476 1.436 0 40 FDAB CNC(=O)N1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 96260622 CTRHFPUISVWCDK-UHFFFAOYSA-N 371.485 1.880 0 40 FDAB Cc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 96238054 NXHIAOZYJQYDJQ-OAQYLSRUSA-N 364.449 1.953 0 40 FDAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc(-c3cccs3)ccc2=O)n1 95473543 OMSISUNVLHYLJZ-UHFFFAOYSA-N 358.427 1.927 0 40 FDAB COc1ccccc1CN1CCO[C@H](c2nccc(CNC(C)=O)n2)C1 257294820 QVWHWBCELXBJCP-SFHVURJKSA-N 356.426 1.695 0 40 FDAB Cc1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)no1 257230494 GCOBCVFJDNUKSM-QGHHPUGFSA-N 360.370 1.793 0 40 FDAB COC(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C(=O)c1ccc(CCN)cc1 257290477 QDCMUIQQFNOYHD-QYZOEREBSA-N 367.449 1.644 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257212602 CEDFRNXRULGCIU-QGZVFWFLSA-N 350.382 1.784 0 40 FDAB CN(CC(=O)Nc1ccc(OCC(=O)O)c2ccccc12)S(C)(=O)=O 262561449 ZVFNSHXLOSQPPS-UHFFFAOYSA-N 366.395 1.133 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3ccc(-c4ccccn4)nc3)C[C@H]2O)cn1 625627615 VCRRLOLELJDXSF-RTBURBONSA-N 351.410 1.501 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(CC2=Cc3ccccc3OC2)C1 643723416 MMCPQHVIVZNSKT-IBGZPJMESA-N 354.410 1.891 0 40 FDAB O[C@@H](CNc1nccc(N2CCOCC2)n1)COc1ccc(F)c(F)c1 676310189 TWEZEZVUSPCEIZ-LBPRGKRZSA-N 366.368 1.443 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025394 UHJMZXVKLDRQRN-CQSZACIVSA-N 370.452 1.528 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCn3nc(C4CC4)cc3C2)cc1 390830871 NZHPFOHBQBOBCS-UHFFFAOYSA-N 374.466 1.667 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575404616 OYBPEXPTBBAJOK-CYBMUJFWSA-N 354.410 1.746 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2cc[nH]c2c1 575615849 GWOPTDSNPNDWBZ-MRXNPFEDSA-N 361.467 1.549 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)c2ccccc21 572373537 AJPDPOPMYPAHMR-QAPCUYQASA-N 368.481 1.899 0 40 FDAB CC(C)c1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 575423687 PUTBTXSKQOMGDQ-MRXNPFEDSA-N 374.528 1.255 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 575423203 ZGNCFXYCVSXYKY-WOJBJXKFSA-N 374.506 1.436 0 40 FDAB O=C(NCC[C@H]1CN(C(=O)c2ccco2)Cc2ccnn21)N1CCCC1 585112156 JRLCZEQFFJSZQE-AWEZNQCLSA-N 357.414 1.869 0 40 FDAB CC(=O)Nc1nc([C@H]2CCCN2CC(=O)Nc2cn(C)nc2C)cs1 585273633 XFVAMBVSXIQZFO-CQSZACIVSA-N 362.459 1.919 0 40 FDAB Cc1ccc(C)c(N(C)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 54273434 JFTFXVUMHWSKRE-UHFFFAOYSA-N 361.467 1.703 0 40 FDAB O=C(O)CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 95397868 QEUNCISGNAEPMW-UHFFFAOYSA-N 361.402 1.804 0 40 FDAB CC(C)c1nc(S(=O)(=O)N2CCCN([C@@H]3CCSC3)CC2)cn1C 1565522134 JAEJWUHMXBQTEL-CQSZACIVSA-N 372.560 1.745 0 40 FDAB CSc1nnc([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1C(C)C 5001418 CPZRAOFXWNYQRW-AWEZNQCLSA-N 367.519 1.619 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCCOCCOCCOCC2)cc1 5003019 BUMNVFUYBUSHRO-UHFFFAOYSA-N 373.471 1.066 0 40 FDAB Cc1c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 12142556 MBMCWHPTRCVYAT-MAUKXSAKSA-N 354.458 1.617 0 40 FDAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCC(C)CC4)nc3c2c1C 12336885 HBJKUBMMLNSQGO-UHFFFAOYSA-N 359.455 1.981 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C3CCC3)C2)c2cccnc21 19021623 MTKBOHBWGCXZAI-HNNXBMFYSA-N 355.442 1.683 0 40 FDAB COCCCN1C[C@@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O 19585989 BSVOQLWUQUQKJS-FUHWJXTLSA-N 360.454 1.644 0 40 FDAB COCC(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(N)=O)C1 19592867 AGMTYHSLURVWQA-NRFANRHFSA-N 368.433 1.625 0 40 FDAB CN1CCN(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 4575544 ZLIIJWXASJYNQB-NBVRZTHBSA-N 365.437 1.131 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(C)cc1Br 643940687 NXBKUCOGQLPKBP-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4c(C)noc4C)C[C@H]3C2)n1 1888860029 RHQQWZIKBNZNDF-OKILXGFUSA-N 363.443 1.147 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)CC(C)C)C[C@H]4C3)n1)CCC2 1888869722 WRCYMVGAQFIEOF-GASCZTMLSA-N 364.515 1.628 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3nccs3)C[C@@H]2C1 1888875736 VCROZPHMSQDKND-TXEJJXNPSA-N 354.457 1.505 0 40 FDAB c1cnn(-c2ccc(N3CCN(c4ncnc5ccsc45)CC3)nn2)c1 1889211482 LDXIZENIYYFEBH-UHFFFAOYSA-N 364.438 1.994 0 40 FDAB O=C(c1cncs1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840829 SQXWWJCHSLMQPX-KRWDZBQOSA-N 361.398 1.930 0 40 FDAB CC(C)c1ocnc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1 2087128977 QZMNRZWMLGGHNE-UHFFFAOYSA-N 372.473 1.747 0 40 FDAB O=C(Nc1ccc(SCC(=O)N2CCOCC2)nn1)c1ccccc1 11737815 QPLLIUSQZPOCDK-UHFFFAOYSA-N 358.423 1.680 0 40 FDAB Cc1cccc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)c1 12422876 RZXANELOMWUKRV-ZDUSSCGKSA-N 358.423 1.850 0 40 FDAB N=c1ccc(-c2nc(-c3ccc(=N)[nH]c3)nc(-c3ccc(=N)[nH]c3)n2)c[nH]1 2048532833 UZLCPUMFMBIKEM-UHFFFAOYSA-N 357.381 1.295 0 40 FDAB COc1cc(C[C@@H]2CC(CN3CCOCC3)=NO2)c(OC)c2c1OCO2 15081418 FAVYMINBLHJLDW-CQSZACIVSA-N 364.398 1.452 0 40 FDAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(Cn3ccnn3)C2)CC1 1775968700 RXROFIUXOPSHNA-UHFFFAOYSA-N 363.462 1.774 0 40 FDAB O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1ccc2c(c1)OCCO2 75154966 HUMQDZXMYGJBLI-QGZVFWFLSA-N 365.407 1.627 0 40 FDAB O=c1nnc(S)c(N(O)N2CCOCC2)nc1-c1ccc(Cl)cc1 704194 ZZCOQWVYENWIRM-UHFFFAOYSA-N 367.818 1.284 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccncc2)cc1 4935623 YCBSSIRONJRLPS-ZDUSSCGKSA-N 363.439 1.464 0 40 FDAB Cc1nn(CCCNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Cl 6921006 KPSPKXULKTWTAU-XQHKEYJVSA-N 355.822 1.538 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 89943507 DSFBKIHXWOWFMT-TZMCWYRMSA-N 363.483 1.648 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 7637443 RCXLHQSCZCQNLH-GFCCVEGCSA-N 351.472 1.631 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 8190276 CWWJUAKVGLRTRI-AWEZNQCLSA-N 362.451 1.987 0 40 FDAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082317 CBWRUFIRIAFTMJ-ZMOHYTEUSA-N 350.418 1.744 0 40 FDAB CCc1c(O)nc(SCC(=O)Nc2nnc(C(C)C)s2)[nH]c1=O 10060484 QNIFNHJSCOLKQN-UHFFFAOYSA-N 355.445 1.744 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)n1 58174326 GMZMDPVATAEGLW-UHFFFAOYSA-N 365.393 1.245 0 40 FDAB Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57279919 VWWCBJRZSAWFQI-UHFFFAOYSA-N 362.455 1.745 0 40 FDAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cnc2sccn2c1=O 11166804 VTSBXZFPTFFEFR-UHFFFAOYSA-N 365.418 1.914 0 40 FDAB OCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20051669 ZTDHVDAGPTYZFR-UHFFFAOYSA-N 371.466 1.969 0 40 FDAB CNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 57498686 DPQDDMCKMBGFJY-UHFFFAOYSA-N 373.434 1.739 0 40 FDAB COc1ccc(C)cc1NC(=O)CSc1nnc2[nH]c(=O)c(C)nn12 11905874 PGLSSFHPJPWDBT-UHFFFAOYSA-N 360.399 1.169 0 40 FDAB O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCOCC1 12321385 LXSUCYCEQTUDPH-UHFFFAOYSA-N 356.426 1.485 0 40 FDAB biogenic CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(C3CC3)C1=O)OCO2 12758631 STVSMNDQQSJLFB-GOSISDBHSA-N 373.365 1.277 0 40 FDAB COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1cccs1 48237158 NFTQIVPDXQHIRL-JQWIXIFHSA-N 350.396 1.880 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNc2cncc(-n3cccn3)n2)cc1 48311413 KCOMCVHDGMVEAV-UHFFFAOYSA-N 358.427 1.324 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cccs1 12818933 NPZPMPTXQMSNCH-UHFFFAOYSA-N 357.435 1.921 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCOc1ccccc1 12974358 SFZASMOYOBDVND-UHFFFAOYSA-N 353.378 1.275 0 40 FDAB COC[C@H](C)n1c(C)cc(C(=O)Cn2nnn(-c3ccccc3)c2=O)c1C 9478523 GNESTSYBIIGZGO-AWEZNQCLSA-N 369.425 1.938 0 40 FDAB Cc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1 4496027 ZLZOWZQDNGRUGS-CQSZACIVSA-N 367.405 1.869 0 40 FDAB COc1ccccc1CNC(=O)c1nnn(Cc2cccc(F)c2)c1N 4852538 VNLJXUAPOWKXHA-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C)s2)cc1 6941238 UTNXGCMZKYORBC-UHFFFAOYSA-N 370.456 1.552 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 7228497 MKUIXTBEDIZRKU-UHFFFAOYSA-N 366.400 1.828 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 68533219 VIRGLECCYUBBON-IRXDYDNUSA-N 366.421 1.188 0 40 FDAB O=C(CNC(=O)Cc1cccc2ccccc12)NCc1nnc2ccccn12 7898717 FPUWLXJCVFMYPG-UHFFFAOYSA-N 373.416 1.858 0 40 FDAB O=C(COCc1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 8134690 FUESDOAKMNKYHO-UHFFFAOYSA-N 369.450 1.952 0 40 FDAB COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCOCC1 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355.460 1.921 0 40 FDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccc2OC)cc1 72321707 LSFYFAWMONYUMM-PSBWJHGTSA-N 357.406 1.712 0 40 FDAB biogenic,in-vitro CSC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 75157282 ZURFDOMAFDBOSD-INIZCTEOSA-N 372.512 1.315 0 40 FDAB O=C(N[C@@H]1CCSC1=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 75163717 BIWLDIRTDZTDKM-SECBINFHSA-N 357.317 1.443 0 40 FDAB CCN(CC)[C@H](CN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl 39982540 CPLAMSYXXHLRLI-OAGGEKHMSA-N 360.907 1.470 0 40 FDAB COCc1nc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cs1 564769249 ALSCEBDMYCCQMO-GOSISDBHSA-N 361.467 1.543 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2F)cc1 224199736 VMVFVOOAXLOPCP-UHFFFAOYSA-N 366.414 1.885 0 40 FDAB CN1CCN(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 41689831 LHJNHWOXQRAJON-NRFBVMONSA-N 352.519 1.597 0 40 FDAB O=C(O)[C@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCC2 49467089 OMYXVVYKXCNHHI-QGZVFWFLSA-N 358.438 1.956 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(N)=O)s1 225297973 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350.375 1.321 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1OC 4941502 AEWMSIWHCHOLCS-CYBMUJFWSA-N 364.398 1.444 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1)c1ccco1 36708286 GLWCJZUVHVNRHD-UHFFFAOYSA-N 354.366 1.903 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 32795180 AGZNQYPQJYDICY-QGZVFWFLSA-N 355.438 1.219 0 40 FDAB COc1ccc(O[C@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 32892758 OYXHFYCIUWADRH-FZKQIMNGSA-N 354.406 1.901 0 40 FDAB C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)N(C)c1ccccc1 22870732 MROCGUDOICXRJX-ZDUSSCGKSA-N 368.455 1.253 0 40 FDAB O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1[C@@H]1NCCc2ccccc21 1256084 ZSJYEYLPTLDJBW-MRXNPFEDSA-N 353.353 1.606 0 40 FDAB O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N[C@@H]1CCS(=O)(=O)C1 79489452 XYISXEMLWZNRIS-CYBMUJFWSA-N 374.422 1.454 0 40 FDAB CCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N(C)C)n1 3653610 VWRJQFNTMGNHBE-UHFFFAOYSA-N 353.386 1.708 0 40 FDAB CCOC(=O)C(=O)N1N=C(c2ccc(OC)cc2)C[C@]1(O)C(F)(F)F 4265983 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362.382 1.025 0 40 FDAB C[C@@]1(c2cccs2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 9513769 DKIQRIUTZQJEGG-INIZCTEOSA-N 364.427 1.284 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 14197876 JHBLMHZZTKWMNI-RDTXWAMCSA-N 360.479 1.963 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3cccnc3)n2)cc1 15082643 UWWXGISZRKFRNY-UHFFFAOYSA-N 367.365 1.300 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 9699653 HVBZXBHWFWXCOR-LBPRGKRZSA-N 356.444 1.244 0 40 FDAB CCCC[C@@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O 7425786 VEPNMRYQAJBKQI-NWDGAFQWSA-N 351.451 1.432 0 40 FDAB CNC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 68928374 AXUCKBGCCGNJRH-NSHDSACASA-N 354.401 1.615 0 40 FDAB CC(=O)N1CCN(C(=O)COc2ncnc3sc4c(c23)CCC4)CC1 8274025 PQLPMMNTNSVXBI-UHFFFAOYSA-N 360.439 1.250 0 40 FDAB COc1ccc(CNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 8428789 AHIGJWDDXPTQIX-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB Cc1nnsc1C(=O)NCCNC(=O)c1nnsc1-c1ccccc1 72239954 YJQJZJXFXXLFTR-UHFFFAOYSA-N 374.451 1.525 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 8503814 FGTMJDJNFSIQAM-SECBINFHSA-N 362.411 1.432 0 40 FDAB O=C(Nc1cc(N2CCCC2=O)ccc1F)N[C@@H]1CCN(C2CC2)C1=O 89769743 CNKDJHVZFWMQTO-CQSZACIVSA-N 360.389 1.837 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccnn3C)C2)no1 306139174 SRJYZWPOVWXQME-OAHLLOKOSA-N 369.429 1.290 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@@H](COc3ccccn3)CCN2C)C1 306134930 OBXLODRSMWMLQT-HNNXBMFYSA-N 353.488 1.596 0 40 FDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC2CCN(c3ccccn3)CC2)C1 515238937 HODUHZFUPHGARK-CABCVRRESA-N 371.445 1.340 0 40 FDAB CCC[C@@H]1C[C@H]1C(=O)NC1CC2(CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 1014019505 GOJRWHFWQKDZOJ-RPXJSBCTSA-N 361.486 1.635 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccnc(Nc2nccs2)n1 72377837 SSQNINOMTYSOTB-NSHDSACASA-N 354.461 1.620 0 40 FDAB CCOCCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30758751 SUFAKYAVXVHQGP-UHFFFAOYSA-N 370.471 1.005 0 40 FDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(OC(F)(F)F)cc1 40386532 AFZWTQRFOOJUCZ-QMMMGPOBSA-N 355.276 1.774 0 40 FDAB Cc1ncccc1CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 529117553 APHGVGHPMQJRJD-UHFFFAOYSA-N 352.441 1.639 0 40 FDAB CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2ccsc2)CC3)CC1 569751020 WQKKNRCOBKQIOP-HNNXBMFYSA-N 373.526 1.684 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386809 DWZNUPXFTRNFII-LBPRGKRZSA-N 357.370 1.360 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCC(C)(C)N1CCOCC1)c1cccs1 40043195 GQRMQXXGFQEPRP-AWEZNQCLSA-N 353.488 1.542 0 40 FDAB O=C(O)C1CCN(S(=O)(=O)NCC2CCc3ccccc3CC2)CC1 530150235 ILEDFBJYKWJKHN-UHFFFAOYSA-N 366.483 1.813 0 40 FDAB COc1ccc(O[C@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3)C2)nn1 225442137 VUFBMQSEZAPOFN-AWEZNQCLSA-N 367.402 1.607 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228210 WGBKTYGYNJXFEB-UHFFFAOYSA-N 353.426 1.613 0 40 FDAB Cc1nc(CN2CCOC[C@]3(CN(Cc4cccnc4)CCO3)C2)cs1 96049825 GKAAAWOFPGCSAJ-IBGZPJMESA-N 374.510 1.950 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NCCCc1nnc2ccccn12 95473720 LHEHGFBXCHJWBC-UHFFFAOYSA-N 368.422 1.250 0 40 FDAB O=C(c1ccncc1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96229126 BUXJPEVBEVMHAJ-IBGZPJMESA-N 353.426 1.631 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 96230448 VQZNJLMLNOPMOQ-OAQYLSRUSA-N 364.449 1.921 0 40 FDAB CS(=O)(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3ccsc3)O2)C1 96208731 FYEWKLIBOLDGJT-DZGCQCFKSA-N 358.485 1.451 0 40 FDAB Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCC(=O)N(C3CCCC3)C1)C2 91321205 PJOZFENIXDDXCG-CYBMUJFWSA-N 358.442 1.112 0 40 FDAB CCOC[C@@H]1C[C@]2(COCCN2S(=O)(=O)c2ccc(OC)cc2)CO1 96240747 OQIFZUMVDSFQIU-RDJZCZTQSA-N 371.455 1.280 0 40 FDAB CN(C)c1ncc2c(n1)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1S(=O)(=O)C2 96251920 LYJDXWDRFKIYEY-QWHCGFSZSA-N 366.487 1.202 0 40 FDAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 96216569 ROAPJOTZEJVATH-WOJBJXKFSA-N 355.486 1.786 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCC12CCOCC2 582114289 GEISKUHOAASODE-HZPDHXFCSA-N 359.536 1.586 0 40 FDAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C1(S(C)(=O)=O)CC1 585082413 PNKDBRFBGPQZSR-ZDUSSCGKSA-N 364.467 1.505 0 40 FDAB CC(=O)N1CCN(CCOc2cccc(C(F)(F)F)c2)C[C@H]1C(N)=O 257227690 FQMGRQPEMOOATO-AWEZNQCLSA-N 359.348 1.102 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257279721 OHXDHYLPYAABBX-GFCCVEGCSA-N 353.382 1.390 0 40 FDAB Cc1n[nH]c(C)c1-c1cncc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257308659 TXPIMVQTURKDHR-UHFFFAOYSA-N 364.475 1.469 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1ccc(F)cc1 257294878 QWBSXCNWGGHWQP-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NCc1ccc2c(c1)nnn2C 656857497 HOOCYYFXNLSUFB-UGSOOPFHSA-N 353.430 1.294 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)noc1C 657147911 UWWHONLUCOJAEK-QWHCGFSZSA-N 354.432 1.564 0 40 FDAB Cc1ccc(C(=O)NCCNS(=O)(=O)c2cnc(C(C)C)[nH]2)cc1F 673818782 MWXYRGYXOPEHDN-UHFFFAOYSA-N 368.434 1.689 0 40 FDAB Cn1nc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 96343519 HBFUBCYVJJEDSY-RHSMWYFYSA-N 354.454 1.928 0 40 FDAB biogenic Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCC1(C(=O)O)CC1 621572150 ATGMLCXCFCJWQW-UHFFFAOYSA-N 352.412 1.130 0 40 FDAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 623002899 CZZXQYHWDHYPHF-NSHDSACASA-N 373.356 1.838 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(Br)ccc1C 643941756 NQXUJJGAJGWJPT-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21 585111717 GNNJPFFDGHARIQ-OAHLLOKOSA-N 352.435 1.518 0 40 FDAB Cn1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCC(F)(F)C2)cn1 585098593 ZOZYBQHMFSDMRZ-OAHLLOKOSA-N 350.417 1.732 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009363 XHOOZLBVBCDBQJ-UHFFFAOYSA-N 354.354 1.145 0 40 FDAB COc1ccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)cc1 1549161848 NXHMMHZMCYKKDU-KRWDZBQOSA-N 371.437 1.323 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 5628853 OMBNGTDDSWMVOJ-UHFFFAOYSA-N 373.365 1.145 0 40 FDAB CCOC(=O)[C@H](C(=O)C(F)(F)F)[C@@H](NC(N)=S)c1ccsc1 12339368 KJHDTGFPBYGSCW-YUMQZZPRSA-N 354.375 1.933 0 40 FDAB CNc1ncc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cn1 19718560 OBJFIJGVGKRWFC-QGZVFWFLSA-N 355.442 1.630 0 40 FDAB CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1cnn(C)c1 604277758 PDRIPKWNHZICOU-BLLLJJGKSA-N 373.388 1.206 0 40 FDAB CCCc1nc(C(=O)N2CCO[C@H](C(=O)O)C2)nn1-c1ccccc1F 521365992 JQYZXTDHVPFSSF-ZDUSSCGKSA-N 362.361 1.285 0 40 FDAB CCn1ccnc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 11695631 WCHVDIQFQFHRAE-UHFFFAOYSA-N 374.441 1.891 0 40 FDAB O=c1[nH]c2ccccc2n1CCCSc1nnnn1C[C@H]1CCCO1 16411302 ZPDNREWGZFSGGS-GFCCVEGCSA-N 360.443 1.678 0 40 FDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3Cc2nnc(C(F)(F)F)o2)OCC1=O 1888849371 CQRSODFSWNTHHE-XFLKPENQSA-N 360.336 1.443 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)Cn2ncccc2=O)C3)nc1 1888853594 NDZYOZAKJUXSJD-BEFAXECRSA-N 369.425 1.049 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nc(C)ns3)CC2)n1 1889085071 HWRHIABDOYHHES-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)NC2CCOCC2)CC1 1889119496 ZMZPABHOJGSZQO-UHFFFAOYSA-N 353.854 1.919 0 40 FDAB CS(=O)(=O)N1CCCN(Cc2cc(Cl)cc3c2OCOC3)CC1 24922924 NTMCTAQXOOTTQQ-UHFFFAOYSA-N 360.863 1.674 0 40 FDAB Cc1csc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)c1 1565547702 WHVQMRVMSVZLHD-JKSUJKDBSA-N 351.516 1.924 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCOCC1 4165876 HOPUAKFHNQHDSG-UHFFFAOYSA-N 373.800 1.094 0 40 FDAB COc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)c(OC)c1 8954608 XYRAGDMDMLAXPE-UHFFFAOYSA-N 369.377 1.951 0 40 FDAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1ccc(F)cc1)CC2 2055734876 UWFGMLIEODSQHK-LBPRGKRZSA-N 353.419 1.711 0 40 FDAB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccccc1F 19879762 YQAKOICDJOMFQO-LBPRGKRZSA-N 357.359 1.388 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCOCC1 21152448 ZYCMOOHUKLCGKQ-MRXNPFEDSA-N 357.410 1.557 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccco2)cc1 206619283 IWMUKEFAGNIXED-MRXNPFEDSA-N 352.412 1.510 0 40 FDAB O=C(c1ccc(OC2CCCC2)nc1)N1CC(CN2C(=O)COC2=O)C1 575616895 QLQXCZQWTLQTQK-UHFFFAOYSA-N 359.382 1.454 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1 206936574 QVXCHAZTENYGPA-GFCCVEGCSA-N 351.388 1.092 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NC1CCN(c2ncccn2)CC1 40134374 GNRKSLYJSFULSY-UHFFFAOYSA-N 366.487 1.309 0 40 FDAB CN(C(=O)c1ccc(OCc2cscn2)cc1)[C@H]1CCS(=O)(=O)C1 31610646 LQJKJHMMXHMOLL-AWEZNQCLSA-N 366.464 1.981 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110827 WVBMDGGNILANLG-JTQLQIEISA-N 370.812 1.081 0 40 FDAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3nccnc3N)n2)o1 21448907 AEBGHAFZGDCNIE-UHFFFAOYSA-N 358.383 1.664 0 40 FDAB C[C@H]1Sc2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2NC1=O 32970975 WOYVBDZBSIMIKN-RFAUZJTJSA-N 354.453 1.426 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2cccs2)C[C@@H](C)O1 32914951 OLLCBJBIOHZFFW-CHWSQXEVSA-N 360.501 1.236 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1ccc(Cl)cc1Cl 33327140 VCGHCJFBAWCLLE-UHFFFAOYSA-N 364.210 1.157 0 40 FDAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)cc1 794254 BMZHHVQDGWPIPA-CQSZACIVSA-N 367.405 1.851 0 40 FDAB COc1ccc2c(COC(=O)CN(C)c3ncccn3)cc(=O)oc2c1 23199731 HUTCLFHEEGUGMV-UHFFFAOYSA-N 355.350 1.771 0 40 FDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 23695388 XASKKDINMHXKBO-GOSISDBHSA-N 352.438 1.740 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccccn3)CC2)cc1 23701253 HPJDZFIBQVGRCP-INIZCTEOSA-N 354.454 1.917 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc21 2431974 ISYSCLMEDNXBQR-UHFFFAOYSA-N 362.363 1.339 0 40 FDAB CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646792 PJOLYMNTLWHFHR-DBHJNWBFSA-N 359.378 1.765 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2927678 BXLMNVKJUCONPG-UONOGXRCSA-N 365.389 1.402 0 40 FDAB COC(=O)c1ccc(OCc2noc(C(=O)NC[C@H]3CCCO3)n2)cc1 32103312 KTNQZMSCXYCAOZ-CYBMUJFWSA-N 361.354 1.344 0 40 FDAB CCn1cc(C2=NO[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c(C)n1 6804930 KYZXWTNFZABMGN-QGZVFWFLSA-N 356.382 1.750 0 40 FDAB NS(=O)(=O)c1ccc(OCCSc2nnc3n2CCCCC3)cc1 7281012 SMPZLEVIVHJXEB-UHFFFAOYSA-N 368.484 1.823 0 40 FDAB OCCOCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616965 LGKKVCKMQXHVKS-UHFFFAOYSA-N 355.398 1.553 0 40 FDAB C[C@@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@@H](C)O1 32770429 GVAVHHQXLDPYBW-CHWSQXEVSA-N 356.430 1.723 0 40 FDAB CS(=O)(=O)N1CCN(Cc2ccc(F)cc2Br)CC1 22392886 NWRZDSQXIHAROM-UHFFFAOYSA-N 351.241 1.665 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 780469 GQARTWRFMHGISM-UHFFFAOYSA-N 362.426 1.415 0 40 FDAB C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N[C@@H]4[C@H]2C[C@@H]1[C@@]3(C(=O)OC)[C@H]5O 103563860 RLUORQGMBKDXPO-JWUUHLMRSA-N 352.434 1.675 0 40 FDAB in-man COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1 821203 HCBFQOVWSDCIFW-UHFFFAOYSA-N 356.444 1.482 0 40 FDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cnccn2)CC1 24617971 RMBQSJVZNJAXEJ-UHFFFAOYSA-N 374.466 1.623 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C)c1 25043768 IITFARAUALXJQT-AWEZNQCLSA-N 367.471 1.091 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 26901936 NAMWXOVQKPKBGD-UHFFFAOYSA-N 373.434 1.756 0 40 FDAB O=C1CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 57738222 BODJKGDROMZEQI-ROUUACIJSA-N 356.447 1.701 0 40 FDAB CCCCN(C(=O)CS(=O)(=O)c1n[nH]c(=O)n1CCC)[C@H](C)CC 58174163 FOCCKEHBMLPSEI-GFCCVEGCSA-N 360.480 1.182 0 40 FDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 58162619 IYJYXRKBPNSDTQ-CABCVRRESA-N 368.455 1.241 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 58419688 OBJALYYIYTVMGL-GDBMZVCRSA-N 363.433 1.184 0 40 FDAB COc1cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 28199758 YNHAPJOWSIKUNQ-BETUJISGSA-N 364.442 1.947 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12768248 ZAVUOAOGCKJEMU-UHFFFAOYSA-N 366.468 1.014 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O 12896708 VPRXGOTWIFSKGI-KRWDZBQOSA-N 371.422 1.821 0 40 FDAB Cc1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cnn1C 13297517 MRPPXLGVOCCBBC-COPLHBTASA-N 350.419 1.536 0 40 FDAB CCC(NN1CCCC[C@H]1c1cccnc1)=C1C(=O)N(C)C(=O)N(C)C1=O 3999776 CWVGJTQDAHZJCP-HNNXBMFYSA-N 371.441 1.828 0 40 FDAB biogenic O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2ccc3nccnc3n2)C1 96005003 VHUKVLAVSIDLNY-AWEZNQCLSA-N 361.471 1.856 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(-n3cccn3)cc2)n(C)c1=O 8540950 DDVWRCPLPZFVGQ-UHFFFAOYSA-N 370.800 1.321 0 40 FDAB O=C(NC1CC1)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 14197224 SWJHADMUNUCOST-CABCVRRESA-N 359.455 1.964 0 40 FDAB COc1ccccc1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 5837138 HEHPZSKYEOPCPD-UHFFFAOYSA-N 361.375 1.697 0 40 FDAB COCCNC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 5981680 LPSKXJVSUWTKMM-UHFFFAOYSA-N 356.835 1.988 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ncccn2)CC1 7268288 CXGTUAPNUFCGNL-UHFFFAOYSA-N 353.382 1.123 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1cccnc1 408560311 OLBQRTJLIKNIGV-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB CCCCOCCCNC(=O)COCC(=O)Nc1ccc(OC)cc1 9763536 OXJDCFADJGPWKL-UHFFFAOYSA-N 352.431 1.973 0 40 FDAB COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73334512 JHBHQFUZSMRXLO-WBVHZDCISA-N 359.470 1.769 0 40 FDAB CCC1(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)CCC1 95998306 DANXEWJBVGNSFW-KRWDZBQOSA-N 373.501 1.640 0 40 FDAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O 60389596 UYEORVCAWBSLTF-WCQYABFASA-N 352.818 1.997 0 40 FDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cncc(N2CCOCC2)c1 548727229 DFDFUDRKVFTCSG-AWEZNQCLSA-N 371.441 1.798 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C 67235339 UAARIDLQDVPRNB-UHFFFAOYSA-N 354.410 1.230 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCS[C@H](c2cccs2)CC1 219467337 QFESCLJQUOSHFY-ZDUSSCGKSA-N 365.480 1.695 0 40 FDAB COc1ccc2nc(-c3noc(CCn4ncn(C)c4=O)n3)ccc2c1 550956985 RZCKJLMJXIGCNL-UHFFFAOYSA-N 352.354 1.431 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 408589348 FBURQMMWEBGXEH-ZDUSSCGKSA-N 358.460 1.151 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 229951002 RBTFBWBCHDXHKV-HUUCEWRRSA-N 354.472 1.547 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 85863662 CVHPBMVWVNRGJY-KGLIPLIRSA-N 359.426 1.765 0 40 FDAB biogenic COC[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccc(F)cc1 332376805 UCSYXAMMCOREKO-WFASDCNBSA-N 358.435 1.589 0 40 FDAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 96047072 IEPBOOUJLMTALK-HXUWFJFHSA-N 357.454 1.963 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)cn1 96059235 CPDVYCZDQQEOJO-GOSISDBHSA-N 352.442 1.860 0 40 FDAB C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1nnc2ccccc2c1=O 95472456 HAMZPLPLMKEADP-PJIJBLCYSA-N 356.426 1.506 0 40 FDAB CS(=O)(=O)N1C[C@@H]2CN(Cc3ccsc3)CCC[C@]2(C(=O)O)C1 96185196 KSJFKLFHTHFRAN-ZFWWWQNUSA-N 358.485 1.306 0 40 FDAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4cccnc4)CCO3)C2)cs1 96049826 GKAAAWOFPGCSAJ-LJQANCHMSA-N 374.510 1.950 0 40 FDAB COC(=O)C[C@H](c1cnn(C(C)C)c1)c1c(O)nc2ccccn2c1=O 96117318 YCBNGVRABMSGMV-CYBMUJFWSA-N 356.382 1.873 0 40 FDAB N=c1[nH]cncc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 583621215 VHVCDTHZKHEUQU-ZANVPECISA-N 352.316 1.856 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)[C@H]1n1cccn1 632377098 SXPXOOWUQCJFDV-YRGRVCCFSA-N 371.846 1.939 0 40 FDAB COc1cc(CNC(=O)CN2CCCC[C@H](O)C2=O)c2ccccc2n1 644372540 XFKNKUFQTQGRHY-INIZCTEOSA-N 357.410 1.233 0 40 FDAB CS(=O)(=O)NCc1ccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)cc1 659122039 JPBGKOHDDXEBQC-UHFFFAOYSA-N 366.439 1.709 0 40 FDAB O=C(C1CC(O)C1)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 585110976 MNXWTTPPTYSCAS-IIIMJFFVSA-N 359.470 1.916 0 40 FDAB Cc1ccn2cc(C(=O)N3CSC[C@H]3C(=O)NCC(F)(F)F)nc2c1 56980713 FRWQTNMVVROKQS-NSHDSACASA-N 372.372 1.836 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(c2cc3ncccc3cn2)CC1 12224266 RWOXWXTVEVILIO-HNNXBMFYSA-N 359.451 1.771 0 40 FDAB CNC(=O)c1cc2c(nc1N)CCN(C(=O)CCc1ccc(OC)cc1)C2 19700629 JDQLAYIWAOWTLQ-UHFFFAOYSA-N 368.437 1.550 0 40 FDAB Cc1cc(NC(=O)CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)no1 19705797 SLMCBKLUULJSLY-UHFFFAOYSA-N 371.441 1.898 0 40 FDAB C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@@H](C)O1 5438364 MAIPWJZZMHFUMM-GHMZBOCLSA-N 366.487 1.959 0 40 FDAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccc(O)nn3)C2)nn1 1888850464 YITDRHMXNJYIDW-LBPRGKRZSA-N 357.414 1.811 0 40 FDAB O=C([C@H]1CN(c2ncnc3ccsc23)CCO1)N1CCSCC1 1888855846 RBFHVUMMOPANPL-GFCCVEGCSA-N 350.469 1.472 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2c(nn1)CCCC2 1888864035 XNGGPQNZTRZXNC-UHFFFAOYSA-N 353.426 1.517 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@@H]4C3)ncnc21 1888904299 KUGZDCLZARCPKV-GJZGRUSLSA-N 363.425 1.450 0 40 FDAB O=C([C@H]1CN(Cc2cccc(Br)c2)CCO1)N1CCOCC1 1889130304 YODOFLDLBNSDKC-OAHLLOKOSA-N 369.259 1.509 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3C[C@@H](COc4cncc(Cl)c4)O[C@@H]3C2)n1 1565553821 KKTCBXHMZYCRLD-LEWSCRJBSA-N 363.805 1.172 0 40 FDAB O=C(CN1CCCCC1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553770 IRFDFRROGOWNPM-UHFFFAOYSA-N 351.454 1.952 0 40 FDAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)c1 5056942 LURHTOZNYCNMPZ-UHFFFAOYSA-N 364.365 1.195 0 40 FDAB COc1ccccc1OCC(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250869 NSJFRYRONSZDQP-UHFFFAOYSA-N 371.397 1.506 0 40 FDAB NC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 11856617 DTAQHWYRRSQXBY-UHFFFAOYSA-N 356.378 1.556 0 40 FDAB CNC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 40153424 SANIEGGDGMDEIB-UHFFFAOYSA-N 362.389 1.909 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)[C@H]1CCCN(c2cnccn2)C1 31227090 AKVVUPFHYLMIIQ-INIZCTEOSA-N 363.425 1.590 0 40 FDAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 894400 LAYLZGGSMJKXBZ-UHFFFAOYSA-N 364.814 1.589 0 40 FDAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NC1CCCCC1 1344742 DEGDSAWGOMIYFR-UHFFFAOYSA-N 352.398 1.426 0 40 FDAB Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1 3522800 DNZKGIPDTGUMHA-LLVKDONJSA-N 361.354 1.611 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)n(C)n1 11586887 KRYUWPHTMZUDSV-UHFFFAOYSA-N 358.354 1.208 0 40 FDAB OC[C@@H]1O[C@@H](n2c(SCc3ccccc3)nc3ccccc32)[C@@H](O)[C@@H]1O 4824725 LARSJCJUSJIUAU-XWTMOSNGSA-N 372.446 1.940 0 40 FDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 4905662 CAEYWFCCOQSFRZ-UHFFFAOYSA-N 357.435 1.859 0 40 FDAB CCn1nnc2cc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)ccc21 7988794 XKVMIDKKIBFTNT-NSHDSACASA-N 373.438 1.590 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 8946337 WJZJAHCUBCVAQP-SXGZJXTBSA-N 373.453 1.870 0 40 FDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 32768931 AHNRLFPRNYSIRG-MRXNPFEDSA-N 373.453 1.319 0 40 FDAB O=C(Nc1nccs1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 9306569 MYRUJLQRUFUBIV-MRHIQRDNSA-N 357.391 1.657 0 40 FDAB COc1ncccc1CNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 32802184 SDLSPPKFOWAHDV-GOSISDBHSA-N 370.453 1.963 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)[C@@H]1CCS(=O)(=O)C1 100753375 PDEOGIIKKZCXCM-YRGRVCCFSA-N 360.439 1.061 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc2c(c1)OCCO2 102843400 JDVUINGUURPLQU-ZIAGYGMSSA-N 358.394 1.249 0 40 FDAB COc1ccccc1NC1=NN/C(=c2\ccc3c(c2)OC(=O)N=3)CS1 104981186 WQHYYAFXUBYKFE-JLHYYAGUSA-N 354.391 1.655 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1OC 24148320 JNCJTVIPEPENEG-UHFFFAOYSA-N 364.427 1.317 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc(O)cc2)CC1 24165195 JGYCEVVKZHLCQM-CQSZACIVSA-N 368.437 1.640 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CCc1ccccc1 55576714 GCZZSNGNPUEOQI-UHFFFAOYSA-N 366.464 1.269 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccncc1 25436610 CQNXXENPLUHZBG-UHFFFAOYSA-N 367.452 1.094 0 40 FDAB CC(=O)N[C@@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C1CCCC1 43802254 ZZKSXAABNKKVSE-QGZVFWFLSA-N 361.442 1.695 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 12552710 WNSMOKNPVVDQTQ-UHFFFAOYSA-N 360.391 1.793 0 40 FDAB C[C@H](C(=O)OCC(=O)N1CCCCCC1)N1C(=O)c2ccccc2C1=O 3294618 RRYSBQXHEAGODR-CYBMUJFWSA-N 358.394 1.617 0 40 FDAB COc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1 3239725 ZMDBSUPDFXNRKQ-UHFFFAOYSA-N 357.362 1.860 0 40 FDAB NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 58147156 RRUUKNFYQHEYQV-UHFFFAOYSA-N 357.395 1.308 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1N1[C@H](O)c2ccccc2S1(=O)=O 58161069 WWEQTWXXGHAZFH-OAHLLOKOSA-N 353.421 1.598 0 40 FDAB O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(c2ccccn2)CC1 44849161 HXXYHRIUDLLTHE-UHFFFAOYSA-N 356.401 1.228 0 40 FDAB Cc1nn2c(=O)cc(CN3C[C@@H](C(N)=O)Cc4ccccc43)nc2s1 58294679 VEAQWWWAUBOUSI-LBPRGKRZSA-N 355.423 1.124 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H](CN2CCCCC2)C1 58229078 WJFLSBCQYIMVNK-INIZCTEOSA-N 369.469 1.516 0 40 FDAB CCCCc1ccc(N2C[C@H](C(=O)N[C@H]3CCCNC3=O)CC2=O)cc1 58438069 RIUFHWJJUHSLOS-WBVHZDCISA-N 357.454 1.777 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1SCC(F)(F)F 36390733 HBAJLCVTKQPMBS-UHFFFAOYSA-N 359.329 1.830 0 40 FDAB CC(C)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12755812 IYWPMQXSKNOGRU-UHFFFAOYSA-N 366.487 1.528 0 40 FDAB C[C@H](Nc1nc(-c2c(N)n(C)c(=O)n(C)c2=O)cs1)c1ccccc1 12793911 FZASXJZINWBHJF-JTQLQIEISA-N 357.439 1.963 0 40 FDAB Cc1cccc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)n1 306137123 QMBUPEUMJIILII-DOTOQJQBSA-N 367.453 1.138 0 40 FDAB COc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(C(=O)O)c1 13086452 VRONSWBGKVVAAB-UHFFFAOYSA-N 359.334 1.817 0 40 FDAB Cc1nnc(SCC(=O)N2CCC[C@@H](C(N)=O)C2)n1-c1ccccc1 7989499 UNOLKLUHFWZEIU-CYBMUJFWSA-N 359.455 1.392 0 40 FDAB COC(=O)CC[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)OC 6662276 GICLOXOOWILKMD-AWEZNQCLSA-N 352.387 1.032 0 40 FDAB C[C@@H]1CCCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)C1 8132672 YHTBTGGLBJOBKQ-NEPJUHHUSA-N 373.500 1.397 0 40 FDAB CNC(=S)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 5900041 QXCSAGFCBGCMOW-UHFFFAOYSA-N 364.452 1.503 0 40 FDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@H]1CCS(=O)(=O)C1 17635294 NIUOIXARSXMROL-VIFPVBQESA-N 361.345 1.358 0 40 FDAB Cc1coc2cc3oc(=O)c(CC(=O)N(C)C[C@@H](O)CO)c(C)c3cc12 8764252 RZKLAPWSIGZQGO-GFCCVEGCSA-N 359.378 1.510 0 40 FDAB biogenic COCCc1noc(CN2CCCN(C(=O)CCc3ccccc3)CC2)n1 83243621 QBDGZXSLRZKLHC-UHFFFAOYSA-N 372.469 1.926 0 40 FDAB Cc1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nn1C 96005146 RJPDVNBTFBRKRC-CQSZACIVSA-N 369.491 1.587 0 40 FDAB O=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)N1CCCCC1 96000664 FEKLYEFNVKFILI-HNNXBMFYSA-N 361.471 1.580 0 40 FDAB CCCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704469 NXPCYBWLRAMSAL-GFCCVEGCSA-N 356.444 1.529 0 40 FDAB CN(Cc1ccco1)C(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 22711056 HTFJTSBCLSTGBZ-UHFFFAOYSA-N 366.395 1.467 0 40 FDAB CCN(CC)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704845 UHHDLADLORDTQV-UHFFFAOYSA-N 356.444 1.830 0 40 FDAB O=S(=O)(c1ccc(CNc2ncccc2F)cc1)N1CCOCC1 95964493 XATCMRJRRCWATM-UHFFFAOYSA-N 351.403 1.854 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 89484459 AAMTWQJWVWOOGP-WBVHZDCISA-N 369.531 1.133 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)cc2)CC1 177753971 NCYSLCPSHPNODJ-OALUTQOASA-N 372.513 1.991 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)no1 306144997 ZUJQBOXCUAMBEO-CYBMUJFWSA-N 353.386 1.354 0 40 FDAB Cc1nc(CN2C[C@@]3(CCNC3)Oc3ccccc3S2(=O)=O)cs1 306139960 UFLMOWFRDXWWNI-INIZCTEOSA-N 365.480 1.767 0 40 FDAB COC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 408916243 AAKUANQHKYPLAG-WEVVVXLNSA-N 355.144 1.181 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 306135495 OSSISFQMNNZEJA-LJQANCHMSA-N 370.384 1.373 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408597775 YCJMASOABSOOKW-GFCCVEGCSA-N 358.460 1.293 0 40 FDAB O[C@@H]1CO[C@H](c2ccccc2)O[C@@H]1[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O 1319861 NVEGGHPETXMRSV-CPPNMTBBSA-N 358.390 1.937 0 40 FDAB biogenic,in-vitro COC(=O)Cc1cc(COC(C)=O)c(COC(C)=O)cc1CC(=O)OC 3843505 MZDUNDKEOHVQHS-UHFFFAOYSA-N 366.366 1.244 0 40 FDAB biogenic O=C(CCc1ccc(F)cc1F)NC[C@H]1C[C@H](c2nc[nH]n2)C[C@H]1O 527560080 JPCAYCWDOHJVBE-YWPYICTPSA-N 350.369 1.686 0 40 FDAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1SCC(=O)N1CCO 71195299 CAOCSQMQXXPBQW-MRXNPFEDSA-N 361.423 1.615 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)c1cc(C(=O)O)ccc1OC 35585958 OSGWPZKGEPPPFO-UHFFFAOYSA-N 366.347 1.933 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)c1 70893869 NJHAZPIWRSFWHN-INIZCTEOSA-N 371.485 1.671 0 40 FDAB CC(C)n1ncc2c(=O)n(CC(=O)N3CCc4sccc4C3)cnc21 127074219 AXAKOINREVMBNI-UHFFFAOYSA-N 357.439 1.820 0 40 FDAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc(OC)c1 45364861 PNDURRYAFXZVCZ-CQSZACIVSA-N 358.394 1.962 0 40 FDAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 44842042 RZYAQPYNUQCOMB-UHFFFAOYSA-N 363.391 1.822 0 40 FDAB CN1CC[C@@H](N2CCC(NC(=O)c3ocnc3-c3ccccc3)CC2)C1=O 567721744 QNENRWAWTVPJRM-MRXNPFEDSA-N 368.437 1.767 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc(F)cc2)n1 224182395 VRQWNAHZDAKGGV-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)nn1 225445474 GWRIDKALMXGCTN-BBRMVZONSA-N 370.409 1.362 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)CC(C)C)C1 96244600 AZYQXDRASDRUHY-HXUWFJFHSA-N 374.485 1.668 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106947 AVVMTUVTTYNBCX-INIZCTEOSA-N 354.410 1.852 0 40 FDAB COC[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)N1S(C)(=O)=O 96207866 RNOBANGOAHTXDC-HNNXBMFYSA-N 356.488 1.993 0 40 FDAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1S(=O)(=O)N(C)C 96109851 BLFAJQNNOIWVRH-LBPRGKRZSA-N 351.432 1.040 0 40 FDAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@H](CC(=O)O)C3)nn2)cc1 583250597 OTBQNSHAISVLLH-CYBMUJFWSA-N 373.413 1.672 0 40 FDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 96214998 STHAJBYDGZMPIN-QGZVFWFLSA-N 366.439 1.446 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1nccs1)C2 96061947 ZKRJGIUYHUYADE-UHFFFAOYSA-N 356.455 1.624 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(CN)NC(=O)OC(C)(C)C 242687685 UPUHRNZJJNUABG-VBQJREDUSA-N 354.472 1.809 0 40 FDAB CC1(C)COC(=O)N1c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257277051 NWGFYTJZMSXESJ-UHFFFAOYSA-N 354.432 1.351 0 40 FDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cncc(C(=O)O)c2)n1 257287086 POLRKMPKODXDRO-HNNXBMFYSA-N 356.382 1.855 0 40 FDAB CCc1cc(C(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C(C)=O)no1 257278732 ODKSGWVAYPDXJD-INIZCTEOSA-N 357.414 1.949 0 40 FDAB N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257334408 YFTARHZZOLODEQ-ZRNYENFQSA-N 354.454 1.112 0 40 FDAB O[C@@]1(CNCc2ccc(OCCF)cc2)CCCN(c2cnccn2)C1 257308402 TWPLSZXOMWGCNB-LJQANCHMSA-N 360.433 1.946 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2cncc(Cc3ccc(F)cc3)c2)CCO1 257331762 XUDKIBKWUUEVIU-LJQANCHMSA-N 357.385 1.528 0 40 FDAB O=C(O)[C@H]1CC12CCN(C(=O)[C@@H]1CCN(c3ccc(F)cc3)C1=O)CC2 262443786 OFILNXDMJORTSE-LSDHHAIUSA-N 360.385 1.892 0 40 FDAB CCOc1cccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CC2)n1 275658011 ZESZGPRIAGWQFZ-AWEZNQCLSA-N 371.441 1.670 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCCC[C@H](O)C1=O 644283696 CAWQPHPYZAKWSD-KRWDZBQOSA-N 356.426 1.204 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)NCc1ccnc(C(F)(F)F)c1)N(C)C2 644478917 XQDNFIZBIRXXDL-LLVKDONJSA-N 354.336 1.131 0 40 FDAB NC(=O)c1cccc2c1CCN(C(=O)N[C@@H]1COc3ccc(F)cc3C1)C2 664916068 MLAIGHHZVAQHDI-HNNXBMFYSA-N 369.396 1.996 0 40 FDAB CO[C@@H]1CN(C(=O)CCn2nnnc2C)CC[C@@H]1Cc1ccccc1C 585281351 WQFLWDJULBRLJT-QZTJIDSGSA-N 357.458 1.786 0 40 FDAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)CC2 585120423 MPLOXUQTOYMGOK-GZBFAFLISA-N 373.461 1.279 0 40 FDAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccn2)c(OC)n1 72337553 BNCSSBZQKMNXBP-ZHZUQJFRSA-N 370.409 1.544 0 40 FDAB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 100006833 XFOXJSLOKBYOAR-OFPYPYAMSA-N 361.401 1.627 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(=O)O)c2cccs2)C1 1614996150 FHGVKWRZERUTFY-MNOVXSKESA-N 360.457 1.052 0 40 FDAB Cc1nc(N2CC(n3nc(-c4ccncc4)ccc3=O)C2)c2cnn(C)c2n1 1775978408 RGSZVKPSKGSYPJ-UHFFFAOYSA-N 374.408 1.352 0 40 FDAB O=C(Nc1ccccc1C(=O)NCc1ccccn1)C(=O)N1CCCCC1 13690053 IMDJGKKACMGLJB-UHFFFAOYSA-N 366.421 1.963 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N1CCCC1 15676122 UALUUBFYUZTRPQ-AWEZNQCLSA-N 362.430 1.176 0 40 FDAB biogenic,in-vitro Cc1cnc(C(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cn1 19238940 VLYQNSKNEMJCOD-BEFAXECRSA-N 350.378 1.242 0 40 FDAB CCC[C@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1 19501904 YBCAIJFTKWLQCM-GOSISDBHSA-N 358.490 1.979 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(CC)c1)CC2 19524864 PVFYVBUZLRVNRL-UHFFFAOYSA-N 368.441 1.500 0 40 FDAB Cc1c(S(=O)(=O)N2CCCN(c3ccccn3)CC2)cnn1C(F)F 19553080 JJYRHNINDXBLES-UHFFFAOYSA-N 371.413 1.883 0 40 FDAB Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(=O)n1 19572528 TZGNKMDYNNYVFZ-GFCCVEGCSA-N 356.382 1.608 0 40 FDAB COCCN1CCN(c2nc(O)cc(CCc3c(C)n[nH]c3C)n2)CC1 19578999 LWCWOVMKONXZDR-UHFFFAOYSA-N 360.462 1.076 0 40 FDAB O=C(c1ccccn1)N1CC[C@@H](c2ncccc2C(=O)N2CCOCC2)C1 19708023 HSOMZCMVCDFXIC-OAHLLOKOSA-N 366.421 1.579 0 40 FDAB CC1CCN(C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 9117857 YOGPIZWCARARHA-CYBMUJFWSA-N 351.472 1.344 0 40 FDAB Brc1cnc(OC2CCN(CCn3cccn3)CC2)nc1 1888843241 NQQYHYZBPYWFFB-UHFFFAOYSA-N 352.236 1.979 0 40 FDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 24685685 JGMMTQJLEHZGJN-LBPRGKRZSA-N 361.261 1.738 0 40 FDAB CCOC(=O)Cc1nnc2c(Nc3ccccc3C)nc3nonc3n12 864688 IQFIVBYDFKMGGP-UHFFFAOYSA-N 353.342 1.818 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n(C)n1 11694291 VGXNQJIPCIQSGN-GFCCVEGCSA-N 368.484 1.829 0 40 FDAB O=C(CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1ccco1 21690020 ZGZGEFVMSQNOKD-UHFFFAOYSA-N 372.406 1.926 0 40 FDAB O=S(=O)(NCc1nccnc1-c1ccco1)c1ccc2c(c1)OCCO2 575414238 FCQCMCATRZUNJO-UHFFFAOYSA-N 373.390 1.986 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1ccnc1-c1cnccn1 575608454 FYVSYXDJTWKJKQ-DUXPYHPUSA-N 363.377 1.898 0 40 FDAB C[C@@H](CN(C)C)On1c(S[C@@H](C)CN(C)C)nc2ccccc2c1=O 2409303 AKYMJUSVGAWJBS-KBPBESRZSA-N 364.515 1.817 0 40 FDAB CCOC(=O)C(Cc1ccc(OC)c(C)c1)(NC(C)=O)C(=O)OCC 1713862 FFYIFTWHUKIGSV-UHFFFAOYSA-N 351.399 1.547 0 40 FDAB c1cnc2c(N3CCOCC3)nc(NCc3ccc4c(c3)OCO4)nc2n1 32106439 WFPDLKBAFAHBBY-UHFFFAOYSA-N 366.381 1.597 0 40 FDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(C)C)c2)CC1 16222620 GIESQJGVISLFDQ-UHFFFAOYSA-N 368.455 1.352 0 40 FDAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 8198303 VIVAXZMJEFFSTQ-UHFFFAOYSA-N 370.471 1.393 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCCc1ccccc1F 8369483 KRVHAFURFORXMT-UHFFFAOYSA-N 361.398 1.223 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)n1 57316315 NTJVKKWESFHLDK-UHFFFAOYSA-N 350.404 1.227 0 40 FDAB CCN1C(=O)C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O 32771883 KGTZWPLXWHVAIN-GFCCVEGCSA-N 353.806 1.366 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(Cl)cc1 32738513 KUEWOEAFYTVSDS-QGZVFWFLSA-N 357.841 1.868 0 40 FDAB CCCc1nnc(S)n1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 32863786 SXCXVQZDLJHLKK-VIFPVBQESA-N 361.427 1.877 0 40 FDAB CC(=O)Nc1cccc(CNC(=O)CNC(=O)COc2ccccc2)c1 32925280 CGHPONGPFGXOBM-UHFFFAOYSA-N 355.394 1.456 0 40 FDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(C)nc1 23893483 FSKDYMJKUSBUFD-UHFFFAOYSA-N 354.410 1.980 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(Cc2ccncc2)CC1 47003044 YEEYMZKNDRGDCQ-KRWDZBQOSA-N 354.458 1.720 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)N1CCc2ccccc2C1 23058216 IFEYECAWDWAULG-UHFFFAOYSA-N 359.451 1.520 0 40 FDAB C[C@@H](C(=O)NC(N)=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 23249180 FPVSPLWLGWEDRE-NSHDSACASA-N 358.364 1.406 0 40 FDAB Cc1cc(C(=O)NCCCN(C)S(C)(=O)=O)c(C)n1CC(F)(F)F 42776525 QNXMWSWTYJETBK-UHFFFAOYSA-N 369.409 1.679 0 40 FDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccccc3C)[nH]c2=O)cc1O 105630909 QQLSWKOGXCODEW-PAUOAVIZSA-N 367.426 1.951 0 40 FDAB COc1ccccc1[C@H](CNC(=O)CCN1CCOC1=O)N1CCCC1 55109500 LNKDLGLGEMPMPG-INIZCTEOSA-N 361.442 1.791 0 40 FDAB CCn1c(=O)n(CC(=O)NCc2ccc(C(=O)OC)cc2)c2ccccc21 23030655 INIQYMQVKSTJLC-UHFFFAOYSA-N 367.405 1.926 0 40 FDAB CC(=O)Nc1nc(COC(=O)C2CCN(C(=O)C3CC3)CC2)cs1 25158916 MGEICKHGCAVKEY-UHFFFAOYSA-N 351.428 1.793 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@H](C)N3CCC(C)CC3)cnc12 58179198 LPFYVEIIMVDBHD-INIZCTEOSA-N 356.470 1.942 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)c(OC)c1OC 3360936 LLICILDJBCDUFD-UHFFFAOYSA-N 350.327 1.804 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2ccccc12 12737423 HNDGLNSSJJXWSY-IUODEOHRSA-N 356.426 1.451 0 40 FDAB Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)s1 58247325 MGVSMIPHTZRKES-UHFFFAOYSA-N 358.467 1.920 0 40 FDAB Cc1csc(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 58404658 ZPNVIEIEBRVUNF-UHFFFAOYSA-N 351.453 1.921 0 40 FDAB NC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 12855887 AWIOWYDMYLNSGL-UHFFFAOYSA-N 353.422 1.548 0 40 FDAB CC1CCN(Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC1 12864057 PWSBZYKHOFNWGC-CQSZACIVSA-N 367.519 1.700 0 40 FDAB COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(N)c1 3885391 FQWXIXZWDRXNDI-UHFFFAOYSA-N 363.439 1.915 0 40 FDAB O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379563 OTAFFUWZKWXTTQ-UHFFFAOYSA-N 374.462 1.989 0 40 FDAB COCCNC(=O)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C 13729240 HFUUMVIFUJWTQG-UHFFFAOYSA-N 351.403 1.750 0 40 FDAB CNc1nc(Sc2cc(C)nc(Cl)n2)nc(N2CCOCC2)n1 13728599 NQNHAGWJIDVPMF-UHFFFAOYSA-N 353.839 1.653 0 40 FDAB Cc1ccc(F)cc1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1 65565231 BKXNVDJBNKLESC-ZDUSSCGKSA-N 358.460 1.820 0 40 FDAB COc1ccc([C@H]2C[C@@H](Cn3cc(C(C)=O)c(=O)[nH]c3=O)ON2C)cc1 5383517 PBYNLWQOCIVKCE-GOEBONIOSA-N 359.382 1.125 0 40 FDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCC(=O)N1CCCC1 14170794 KDCXQQGEMQBFHQ-ZDUSSCGKSA-N 367.471 1.260 0 40 FDAB O=C(N/C(=C\c1cccnc1)C(=O)N1CCC(O)CC1)c1ccccc1 4575542 KRTRHYMULONWQA-AQTBWJFISA-N 351.406 1.836 0 40 FDAB Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)ccc1=O 6647782 WWMILGCZHOCBCB-UHFFFAOYSA-N 364.287 1.632 0 40 FDAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(CCOC)C3)c1C 69807765 QOJVMPHJFZOJKA-UHFFFAOYSA-N 357.458 1.720 0 40 FDAB CCCC[C@@H](NC(N)=O)C(=O)NCCNC(=O)c1ccccc1Cl 69950354 BIEDBODXFNFEQV-CYBMUJFWSA-N 354.838 1.413 0 40 FDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1cccc(F)c1 7360258 OFIBLKRJUSQFQC-UHFFFAOYSA-N 362.405 1.543 0 40 FDAB CN1N=C(C(=O)Nc2cccc(I)c2)CCC1=O 8940624 HSVVOIIJLBMHMF-UHFFFAOYSA-N 357.151 1.838 0 40 FDAB CCOc1ccc(-c2cn(C3CN(S(=O)(=O)N(C)C)C3)nn2)cc1 96000473 WKYGSSUBOBOFMZ-UHFFFAOYSA-N 351.432 1.007 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cncn1-c1ccccc1 9318822 GZRMCNFCSPSYSJ-UHFFFAOYSA-N 370.390 1.828 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)CCOc3ccccc3)ccc21 9512425 SEXHIPLGZWPRNS-UHFFFAOYSA-N 367.405 1.861 0 40 FDAB O=C(CSCc1cccnc1)NCC1(O)CCC2(CC1)OCCO2 76093162 WPZAUYHAPGWRCU-UHFFFAOYSA-N 352.456 1.479 0 40 FDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 72242336 KDIHMGVGRBIDEP-JSGCOSHPSA-N 372.498 1.512 0 40 FDAB COc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73334509 JHBHQFUZSMRXLO-DOTOQJQBSA-N 359.470 1.769 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)[nH]c3ccccc23)CC1 24786805 DERLLSVAMODKGF-UHFFFAOYSA-N 363.483 1.949 0 40 FDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC(C)(C)C(=O)OC)C1 60380819 NPQSZCSWMLCOLE-CQSZACIVSA-N 361.398 1.252 0 40 FDAB CCc1cccc(OCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1 551980351 DZWQRVRUGCBTAU-DNVCBOLYSA-N 356.426 1.497 0 40 FDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 217509091 UHGSCTBNYVFDNU-UHFFFAOYSA-N 356.444 1.690 0 40 FDAB CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 44563883 KQKLTVHOEKAAQH-RYUDHWBXSA-N 358.435 1.770 0 40 FDAB COC(=O)Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12 41107490 SXQBAYDURXXBEZ-UHFFFAOYSA-N 351.362 1.751 0 40 FDAB COc1cc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)ncn1 49401987 SBGOLHYLHCAHFO-UHFFFAOYSA-N 370.409 1.747 0 40 FDAB COc1cccc(CNC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)c1 75155766 HKXLABNSBHGIMH-FQEVSTJZSA-N 354.406 1.262 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40002588 NDKVKPCXIVULHA-BEFAXECRSA-N 371.481 1.826 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@@]2(COCCN(c3ccccn3)C2)C1 96229063 VKILJMITUWYJOG-KRWDZBQOSA-N 351.472 1.493 0 40 FDAB Cn1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 248165057 ZJKCJYRSXMGFHF-GOSISDBHSA-N 357.458 1.245 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257254535 KDNVNBXCGRMBSW-HNNXBMFYSA-N 359.430 1.680 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2cncc(NC)n2)c1C 257312739 UPICIXDWJYCAJN-ZDUSSCGKSA-N 350.448 1.569 0 40 FDAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C[C@@]1(C)O 257335508 YKLYWMXUBSARFW-GKLJAUDBSA-N 352.456 1.397 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C3CC3)on1)C2 253381493 DYOZWRYQSVIFBW-GFCCVEGCSA-N 354.428 1.218 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(C)c3C)CC[C@@H]21 1775990761 HGSJBAQXIUEFGT-MJGOQNOKSA-N 371.481 1.893 0 40 FDAB Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(S(C)(=O)=O)s1 606444939 MBKGCJWFBGYTSW-UHFFFAOYSA-N 368.484 1.762 0 40 FDAB O=C(CCNC(=O)[C@@H]1CCCN1)N[C@@H](CO)c1ccccc1C(F)(F)F 1122339912 IGKHJDISYYYJTG-KBPBESRZSA-N 373.375 1.113 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1cccc2ccoc12 643704297 OQFQGPWOLZSGJC-MRXNPFEDSA-N 352.412 1.349 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC1CCN(c2cccnn2)CC1 657448590 MBIYTTKJNDDWIC-HNAYVOBHSA-N 356.474 1.936 0 40 FDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1csnn1 585112723 UMFPWZGPDAAKTL-OAHLLOKOSA-N 355.423 1.827 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@@H]21 585109584 XKEBLQMDISPTPI-WSTZPKSXSA-N 372.465 1.388 0 40 FDAB CCc1cc(N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)n2ncnc2n1 585088451 XXRVDBLERIXILK-CYBMUJFWSA-N 370.417 1.371 0 40 FDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cn2cccnc2=O)C1 585275743 GNAIVLFAUYKOHC-LJQANCHMSA-N 357.410 1.248 0 40 FDAB CN(CC1(O)CCN(c2ccc(F)cc2)CC1)[C@@]1(C)CCS(=O)(=O)C1 585285405 YILQTHPCLSXYHI-KRWDZBQOSA-N 370.490 1.666 0 40 FDAB CCc1nn2c(=O)cc(CN3CCN(c4ccccc4O)CC3)nc2s1 57270712 JCSQCVUSNFTIFN-UHFFFAOYSA-N 371.466 1.741 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C)C(=O)N1CCOCC1 58202102 BSLYHPVIDLNIKH-HNNXBMFYSA-N 370.453 1.395 0 40 FDAB Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(S(N)(=O)=O)cn1 684880389 DHILLHKBQUXGCS-UHFFFAOYSA-N 372.450 1.667 0 40 FDAB COc1cc2nc(C)n(CCn3c(C)cc(O)cc3=O)c(=O)c2cc1OC 1547138861 HLWIKNNVFVEEDK-UHFFFAOYSA-N 371.393 1.598 0 40 FDAB biogenic CC(C)S(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549161687 JOINDOVQZRDZEP-UHFFFAOYSA-N 352.456 1.923 0 40 FDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 5612027 YMMRAFVACDUYTB-UHFFFAOYSA-N 374.462 1.771 0 40 FDAB COC(=O)c1cccc(COC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 12996093 CFVKYCWATICINK-WQVCFCJDSA-N 371.389 1.856 0 40 FDAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19460459 CRIFFMKWPSTOID-UKRRQHHQSA-N 358.442 1.518 0 40 FDAB COc1cccc(CCCNC(=O)[C@@H]2CN(c3ncccn3)CCO2)c1 19747322 INXNVWTZUHDKJL-KRWDZBQOSA-N 356.426 1.439 0 40 FDAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc(Br)cn1 644071442 OCUHASCFEKYDDU-BZPMIXESSA-N 354.248 1.562 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)OCCN3CCOCC3)Cc3ccccc32)cn1 575621130 YBPXFAIHVPFCPX-IBGZPJMESA-N 370.453 1.836 0 40 FDAB O=C(c1cnccn1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848590830 WNANPHFUBCDUEL-UHFFFAOYSA-N 367.384 1.878 0 40 FDAB CC(C)N1CCCC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1=O 2037985873 ZIHBZXUSZUPLDO-IBGZPJMESA-N 361.442 1.479 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838735 ZCSWTGAMSBWTHJ-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB Cc1cccnc1CN1CCC[C@]2(CC1)Cc1c(n(C)c(=O)n(C)c1=O)O2 2037845968 ITBNZUYNTQWZOI-FQEVSTJZSA-N 370.453 1.147 0 40 FDAB O=C(CC1(O)CCC1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 2056214938 BUQPZCGCJWZSAO-UHFFFAOYSA-N 357.454 1.870 0 40 FDAB CC1CC(C(=O)N2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)C1 1565552842 YNSJMIRXMMOVFE-ZCQYEXLDSA-N 357.454 1.609 0 40 FDAB CCCCc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(C)=O)cc1 4107514 SQYZDEYXOKCHDX-MRXNPFEDSA-N 354.472 1.907 0 40 FDAB CC(C)CCNC(=O)c1cn(C)c2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c12 9659623 KBZNCPPXFODVPU-UHFFFAOYSA-N 372.400 1.933 0 40 FDAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(C)=O)CC3)C1=O 2055795757 RAEZXGBDMMEHQW-LJQANCHMSA-N 357.458 1.164 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N1CCOCC1 22766450 QAVMBIKTHHKQML-KRWDZBQOSA-N 373.478 1.554 0 40 FDAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NC(C)(C)C)c2=O)CC1 49409167 OKRRNTQXEALURI-UHFFFAOYSA-N 369.487 1.184 0 40 FDAB Cc1nc(NC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)sc1C(=O)N(C)C 585149875 WNZPHUUZYFTPIB-VHSXEESVSA-N 352.460 1.500 0 40 FDAB c1cnc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)nc1 2298082522 VFXLQIITFTYHOH-AWEZNQCLSA-N 366.429 1.122 0 40 FDAB Cc1cc(-n2ccnc(SCC(N)=O)c2=O)ccc1Br 4853045 DNOYNOKZOHHGRN-UHFFFAOYSA-N 354.229 1.881 0 40 FDAB O=C(N[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)c1ccccc1 40017349 MBPCNFOUKYERNV-IRXDYDNUSA-N 372.446 1.461 0 40 FDAB Cc1cc(=O)c(C(=O)NC[C@@H](C(C)C)N(C)C)nn1-c1ccccc1F 40047507 DGRLPGZILSZWLP-INIZCTEOSA-N 360.433 1.996 0 40 FDAB O=C(NCCc1ccccc1O)NCc1ccc(N2CCOCC2)nc1 40150072 XHNVCSYPCWCDDK-UHFFFAOYSA-N 356.426 1.666 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1 1273619 XQGYJFKGTWVKRT-UHFFFAOYSA-N 360.443 1.309 0 40 FDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2cnnn2)cc1 3548342 VFJUSVGILCFGMF-GFCCVEGCSA-N 367.365 1.855 0 40 FDAB O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccccc1Cl 4510581 YMKNWOFQZPRODT-UHFFFAOYSA-N 350.758 1.522 0 40 FDAB CC[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4966880 LVCQHPQDQLLXNP-OAHLLOKOSA-N 358.394 1.663 0 40 FDAB OCCNc1nc(N2CCN(c3cnccn3)CC2)nc2ccccc12 26723550 DONVFLNBNLFIJV-UHFFFAOYSA-N 351.414 1.151 0 40 FDAB O=C(CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)NCC(F)(F)F 26843474 SASSNBMWBMCRAX-UHFFFAOYSA-N 373.375 1.254 0 40 FDAB COc1ccccc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100617399 NXQZGFRYSIAPQG-MCIONIFRSA-N 352.456 1.766 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 26963217 CTAUEVNXMJUIKH-JTQLQIEISA-N 372.365 1.568 0 40 FDAB COc1ccccc1CNC(=O)CCN1C(=O)Cc2ccccc2C1=O 10031348 KGXQGWXRNTZTBJ-UHFFFAOYSA-N 352.390 1.927 0 40 FDAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 8775188 NQXHDZGHSYAEBR-UHFFFAOYSA-N 354.453 1.463 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NC1CCC(C(F)(F)F)CC1 27677641 PDAPPGABKZFZNG-UHFFFAOYSA-N 369.347 1.666 0 40 FDAB Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 10953457 VVNCAOQNYPTWAX-GFCCVEGCSA-N 359.382 1.627 0 40 FDAB Cc1nc(C2(NCC(=O)Nc3ccccc3C(N)=O)CCCCC2)no1 58202445 AQVTZLJIMRNKFC-UHFFFAOYSA-N 357.414 1.865 0 40 FDAB CC1CCN(C(=O)[C@H]2CCCN(C(=O)CCNc3ncccn3)C2)CC1 58311330 JWISVLHMBCAZEA-INIZCTEOSA-N 359.474 1.776 0 40 FDAB COc1ccccc1Nn1ccc2nc(N3CCN(C)CC3)ncc2c1=O 9290434 GUWIQKKUOFUITO-UHFFFAOYSA-N 366.425 1.427 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 58116687 MXTQOYGIEUVHDU-MRXNPFEDSA-N 354.362 1.532 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(CCCN2C(=O)c3ccccc3C2=O)C1=O 45540464 BOSDDBOHPWDGQA-LJQANCHMSA-N 367.361 1.733 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1 22236593 XBZLFGFVUKRYDA-UHFFFAOYSA-N 365.397 1.361 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(-n2cnnn2)c1 12096082 WGCMTBWUFUTIBO-UHFFFAOYSA-N 351.366 1.478 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(Cn2ccccc2=O)o1 29079785 KIOGGYPTUHWUOR-UHFFFAOYSA-N 369.377 1.471 0 40 FDAB CCCCCn1c(CCC(=O)O)nc2c1c(=O)[nH]c(=O)n2CCCC 12504685 PTQBZCHWXIGRJD-UHFFFAOYSA-N 350.419 1.894 0 40 FDAB CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1N1CCOCC1 12542498 OROSITLRHKYDKO-UHFFFAOYSA-N 374.485 1.723 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 12796992 QZFDQCQNUMDRBP-UHFFFAOYSA-N 369.352 1.762 0 40 FDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)c2ccc[nH]2)n1 12760748 MFWSDPSHOSXWFK-UHFFFAOYSA-N 354.370 1.711 0 40 FDAB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12853076 QGFHQSUWQQDJIL-LLVKDONJSA-N 356.382 1.729 0 40 FDAB CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 12875672 FEHHWIBHLFDCOX-QMMMGPOBSA-N 367.290 1.800 0 40 FDAB CCC(=O)c1ccc(OC[C@H](O)Cn2nnn(-c3ccccc3)c2=O)cc1 12922130 KFCSDTZUPDKNMO-MRXNPFEDSA-N 368.393 1.462 0 40 FDAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(N)=O)cc1 22232426 HOLTULXYMNAMSI-UHFFFAOYSA-N 352.387 1.656 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2nnc3n2CCCCC3)cc1C(=O)O 13088871 WBFKJXKAKZPUCL-UHFFFAOYSA-N 364.427 1.490 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccc(F)cc2)CC1 5249655 COCCQRPXFJKLKI-HNNXBMFYSA-N 369.462 1.952 0 40 FDAB COC(=O)C[C@@H]1NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O 14160651 SOYYYXPZUHCZEX-LBPRGKRZSA-N 373.331 1.578 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1sccc1S(N)(=O)=O 14198629 UXQYBBDEZQIWSQ-NXEZZACHSA-N 360.457 1.342 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)CCC2 14140739 KVYSAFOSLKSPJY-GOSISDBHSA-N 356.447 1.776 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccoc4)C[C@H]3S2(=O)=O)cs1 306130729 JODZAOQKWOMUBX-GXTWGEPZSA-N 367.452 1.331 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1c[nH]c3ccccc13)C2 306129040 HSFPHHJKARYUCF-CYBMUJFWSA-N 362.451 1.834 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(c2ncccn2)CC1 7767413 KMAVEIOBIFEDBM-UHFFFAOYSA-N 366.377 1.311 0 40 FDAB biogenic O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 25071972 MFZSGRFNHQLNKK-HNNXBMFYSA-N 352.387 1.888 0 40 FDAB O=C(Cn1cnnn1)OCc1nc(-c2cccc(Br)c2)no1 19316835 RUHXKAQJPULHIW-UHFFFAOYSA-N 365.147 1.229 0 40 FDAB COC[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 72304526 QMRJGEIUMMJPRW-YWZLYKJASA-N 356.422 1.706 0 40 FDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(N)=O)cc1F 72309698 JMXSLTORWSNPEQ-MRXNPFEDSA-N 372.400 1.746 0 40 FDAB COC(=O)[C@@H](Cc1cccc(OC(C)=O)c1)N1C(=O)c2ccccc2C1=O 22065886 CBYNMYYQKRQNAI-QGZVFWFLSA-N 367.357 1.992 0 40 FDAB in-vitro CC(C)NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408612642 TYTUNPPSXDAAQS-UHFFFAOYSA-N 363.277 1.735 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@@H](Cc2ccccc2Cl)C(=O)O)c1 547549305 GRGLZDSGMQYCLJ-LLVKDONJSA-N 357.819 1.295 0 40 FDAB CC[C@@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 408713294 RTRUWPYFFPBMJK-CYBMUJFWSA-N 367.471 1.002 0 40 FDAB O=C(CCCn1cccn1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72133646 TZBLJNFEALQTLK-MOPGFXCFSA-N 354.454 1.517 0 40 FDAB COc1ccc(-c2c3c(=O)n(-n4cnnc4)ccc3nc3ncnn23)cc1 38828754 LILNSTCBDJRULF-UHFFFAOYSA-N 360.337 1.018 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)Nc1ccccc1F 1547201121 LCVFYICVMLWUMK-UHFFFAOYSA-N 367.340 1.811 0 40 FDAB COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)[nH]c1=O 72405737 FGJZBAOMHWSDNY-LBPRGKRZSA-N 371.393 1.274 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(C)C3)CC2)cc1 72796930 YUDGVAYDJMUGHF-INIZCTEOSA-N 365.499 1.170 0 40 FDAB COc1ccc(CCNc2ccc3nnc(CCC(=O)O)n3n2)cc1OC 32070295 KSYRSGJKKQAQPY-UHFFFAOYSA-N 371.397 1.813 0 40 FDAB CC[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCN1Cc1ccccc1 185331644 YPJMLFBZDVHORC-IBGZPJMESA-N 373.497 1.748 0 40 FDAB CN1C(=O)COc2cc(NC(=O)CCc3nc4ncccc4[nH]3)ccc21 72404340 GJDZJCFFZQYZKQ-UHFFFAOYSA-N 351.366 1.884 0 40 FDAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCO)c2ccccc2)cc1 223540599 CVNQMNAEFOKZRB-LJQANCHMSA-N 356.422 1.894 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O)C(=O)O 49548255 VEYKCNSXNMWARE-XIKOKIGWSA-N 373.409 1.534 0 40 FDAB O=C(c1cccnc1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96226584 RNPUGOXPGPVSOI-GOSISDBHSA-N 357.389 1.522 0 40 FDAB O=C1CC[C@@H]2[C@@H](CCN2Cc2nccs2)N1CCN1CCOCC1 96056563 HFYIOCCCWZSFIA-HUUCEWRRSA-N 350.488 1.041 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1C[C@H]2OCC[C@H]2N(c2ccncn2)C1 96041313 SSFBCOMRTDBGGB-GVDBMIGSSA-N 353.426 1.214 0 40 FDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(C)s3)C2)C1 96049486 PAOGKOIQZDVXLV-SFHVURJKSA-N 351.516 1.717 0 40 FDAB CCOC[C@H]1CCC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)N1C 96209728 VMKYGPRZLRZHKX-CQSZACIVSA-N 356.492 1.074 0 40 FDAB CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 96069725 FOEGZCPXGHYUKQ-OAHLLOKOSA-N 351.472 1.650 0 40 FDAB COCCNC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)c1 520812678 DIQPMZUANBBXIS-IUODEOHRSA-N 363.414 1.637 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)cc1 253473018 QZPSFUJOFZKVBM-OAHLLOKOSA-N 357.362 1.708 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@]2(N)CN)cc1 252516054 PTPFNGVQICZZJF-KZNAEPCWSA-N 360.435 1.320 0 40 FDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257340503 ZGKSANMNFHOUSI-QGZVFWFLSA-N 351.414 1.787 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)C(=O)O 252515357 IXKAONPVWWUNET-WZRBSPASSA-N 362.245 1.379 0 40 FDAB O=C(NCCN1C[C@H]2CCCCN2C1=O)c1cc(-n2cccc2)ccn1 620108151 SDQHYUBFUSBIQX-MRXNPFEDSA-N 353.426 1.892 0 40 FDAB C[C@@]12CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@]1(C)C(=O)NC2=O 631454779 STULQJCRFDAPCL-BGYRXZFFSA-N 363.421 1.516 0 40 FDAB Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643889409 AFTHRRHQHBQXDE-OAHLLOKOSA-N 358.446 1.635 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N(C)Cc2ccccn2)[C@H]1c1nccn1CC 1615546676 BEGAZIAGCUMZNT-RDJZCZTQSA-N 355.442 1.866 0 40 FDAB CC(C)Oc1ccc(=NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)[nH]n1 653543654 VTHJHCCBYAIPPR-GRYCIOLGSA-N 350.419 1.943 0 40 FDAB CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc3c(c1)N(C)CC3)C2 1775956879 UGAYLBKKSWKNPW-RDPOXOKHSA-N 357.498 1.888 0 40 FDAB Brc1cnc(OC[C@@H]2CCCN(Cc3nnco3)C2)nc1 1775995434 VQTVWQVTJTXODN-SNVBAGLBSA-N 354.208 1.913 0 40 FDAB CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)O2)CC1 661071338 HGCGIFPJJRCXEH-ZFWWWQNUSA-N 361.508 1.446 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)n1 585112747 UYCQJPXOQBDPEL-SFHVURJKSA-N 354.458 1.949 0 40 FDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 585276061 LOBOMDVENSMNMJ-HXUWFJFHSA-N 357.454 1.930 0 40 FDAB Cn1cc(/C=C/C(=O)NCc2nc3ccccc3s2)c(=O)n(C)c1=O 30972859 LGLKBQWPAXRKRK-BQYQJAHWSA-N 356.407 1.023 0 40 FDAB Cc1cc2c(NC[C@@H]3CCn4ncc(C(=O)NC(C)C)c4C3)nccn2n1 579466239 CEPZRSPLIQAJNG-CQSZACIVSA-N 367.457 2.047 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615125289 YSOABWWXSIHNRK-GOSISDBHSA-N 364.373 1.113 0 40 FDAB Cc1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 5272654 VJCHFJZHSUYHMG-UHFFFAOYSA-N 358.419 1.846 0 40 FDAB OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H]1O 5492495 ZKWSVFAALQBHRF-YJNKXOJESA-N 355.184 1.420 0 40 FDAB NC(=O)COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 11916830 WPSJYWSUMCQIKJ-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC 17073110 GFYYRLPKCRIYDW-JTQLQIEISA-N 352.774 1.870 0 40 FDAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1CO 19291457 DESFQEVSXUSWPJ-XEWABKELSA-N 357.454 1.936 0 40 FDAB CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 19501933 IMXZCCMLTLTWFV-HNNXBMFYSA-N 358.446 1.539 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4cccnc4)C3)nc2n(C)c1=O 19743053 MVUJKIYCZIRFHB-OAHLLOKOSA-N 365.437 1.407 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 521396704 SJARDKYRXOVTJE-AWEZNQCLSA-N 370.471 1.364 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccc(F)cc1Cl 643551171 LLNPIKXZPHTPOW-LMOWEUBUSA-N 357.809 1.709 0 40 FDAB O=C(CCn1ccnc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585995 MBAHZXYMMZDEHG-SZVBFZGTSA-N 359.401 1.558 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11694034 UZQFQFKARRNTEI-HNNXBMFYSA-N 357.410 1.279 0 40 FDAB O=C(CN1CCC(Nc2cc(C(F)(F)F)ncn2)CC1)N1CCOCC1 1888842742 MCUDHODMGXZSOW-UHFFFAOYSA-N 373.379 1.231 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ncccc5F)C[C@H]4C3)ncnc21 1888903860 AZCQWPSWOYPTKU-TXEJJXNPSA-N 367.388 1.106 0 40 FDAB O=C(CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC1CCCCC1 2087064950 TWOFJJSWADBPFK-OAHLLOKOSA-N 373.444 1.394 0 40 FDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 1565553366 VTSAVTXXKDHAKO-CYBMUJFWSA-N 359.417 1.749 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)n1 1565554854 HJHHPJBFRQJBHX-OWCLPIDISA-N 357.414 1.047 0 40 FDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 5188724 OTXKUPBPDGZGKP-UHFFFAOYSA-N 372.402 1.633 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 9571216 ZYWGHDUKWIGBKI-UHFFFAOYSA-N 365.365 1.727 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC[C@H](C)C1 10233881 QKRGWAFYKBIWCS-LBPRGKRZSA-N 372.473 1.035 0 40 FDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10963603 VXFDJEMXHYZWDL-UHFFFAOYSA-N 358.789 1.801 0 40 FDAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(CC2CCOCC2)CC1 2055772781 DDYNPSRWTIEGAS-UHFFFAOYSA-N 374.407 1.779 0 40 FDAB Cn1cc(-c2cncc(N3CCN(c4nccn5nccc45)CC3)n2)cn1 2298230537 VZXFVJWFSFIMGA-UHFFFAOYSA-N 361.413 1.246 0 40 FDAB Cc1cc(N)n(-c2ccc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cc2)n1 19717860 IJAJEKDXMZOSOL-GOSISDBHSA-N 371.485 1.850 0 40 FDAB COc1ccc(CNC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2)cc1 36550902 VBEGXJOHSCWXQE-GOSISDBHSA-N 353.422 1.142 0 40 FDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 40017362 NILKMMVUKRWYGA-CYBMUJFWSA-N 355.412 1.564 0 40 FDAB O=C(NCCOc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31288059 STZNLKZMOPFEIJ-AWEZNQCLSA-N 357.385 1.764 0 40 FDAB CN1CCc2c(sc3nc(SCC(=O)N4CCCC4)nc(N)c23)C1 20547606 ILHMPEFELAYVTB-UHFFFAOYSA-N 363.512 1.976 0 40 FDAB COc1c2c(c(NC(=O)c3snnc3C)c3c1OCO3)CCN(C)C2 32124044 HEPZRCPWRPZQBL-UHFFFAOYSA-N 362.411 1.824 0 40 FDAB biogenic O=C(Nc1ncccn1)C1CCN(S(=O)(=O)c2cccs2)CC1 21211008 QICOWHUXFOSBGG-UHFFFAOYSA-N 352.441 1.578 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ncccc1O 22263981 OZHDKGUYVFNNOX-LJQANCHMSA-N 366.377 1.509 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)cc1 23400549 RPISTFFQOBNKNO-CQSZACIVSA-N 369.377 1.408 0 40 FDAB CC(=O)c1c[nH]c(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 24030832 PIDCTHKAMNVXEB-UHFFFAOYSA-N 354.410 1.614 0 40 FDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C(=O)OC)cc1 1432461 KNVIYVKFELJOBP-STQMWFEESA-N 362.411 1.695 0 40 FDAB COc1coc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1=O 72403405 SQXVAGYTKZLCJS-UHFFFAOYSA-N 364.379 1.441 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CCN1 35292587 DJCMRUAGWRUNDN-MRXNPFEDSA-N 366.446 1.863 0 40 FDAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1 6027462 PUXKNXWDCQONTJ-UHFFFAOYSA-N 356.378 1.963 0 40 FDAB O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1ccc2c(c1)OCCO2 35485462 GFBFEDLXWFBXLW-INIZCTEOSA-N 367.405 1.227 0 40 FDAB CCCc1cc2c(cc1NC(=O)c1c[nH]c3nc(C)nn3c1=O)OCO2 100769824 RSGCTSMKGZVZIY-UHFFFAOYSA-N 355.354 1.660 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 12615899 UBAYBVINBFVJPN-UHFFFAOYSA-N 351.362 1.719 0 40 FDAB O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc2c(c1)OCO2 28183110 AFPWNZVJFOORPE-UHFFFAOYSA-N 351.362 1.901 0 40 FDAB C[C@H]1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H](C)CO1 36387096 ONXCXECPNDWRIC-CABCVRRESA-N 354.472 1.317 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 54672245 JYFSWBIXBLCURL-MRXNPFEDSA-N 372.860 1.994 0 40 FDAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCc2ccccc2C1 101411398 ZRIMBGFDFOLQJR-UHFFFAOYSA-N 356.422 1.736 0 40 FDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 29176243 OJDKWZCSDGYLAI-LLVKDONJSA-N 360.414 1.228 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)c1 11563886 QFICFRSUWFLEJD-UHFFFAOYSA-N 360.435 1.874 0 40 FDAB O=C(NCCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 25071995 OYVQCOXONVFVDO-INIZCTEOSA-N 366.414 1.931 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCN(C)CC2)c2cc(C)ccc2n1C 20503282 KGNAZOLCOKEIEW-UHFFFAOYSA-N 358.442 1.459 0 40 FDAB COc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243808 NVLMBTYMZTYHOI-HKUYNNGSSA-N 358.442 1.594 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)no1 3406728 BMICGDSGCGVAGF-KRWDZBQOSA-N 372.337 1.117 0 40 FDAB COc1cccc(OS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 24244328 HCNIRRFKJXTBCU-UHFFFAOYSA-N 371.436 1.713 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12984317 VFNUAXKGWDJMMZ-HNNXBMFYSA-N 367.453 1.590 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2[nH]c(=O)[nH]c2c1 13004669 PLYVIQJIQHRHTP-UHFFFAOYSA-N 351.318 1.980 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1C 13019013 PJACFOSFAVVQGC-KRWDZBQOSA-N 369.469 1.844 0 40 FDAB CCc1ccc(NC(=O)C[C@H]2N=C(N3CCN(CC)CC3)NC2=O)cc1 13689510 WLCKTFPNYNFCJT-MRXNPFEDSA-N 357.458 1.070 0 40 FDAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 95478711 GHQMTBBZRAMPLR-OAHLLOKOSA-N 360.439 1.754 0 40 FDAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NC1CCCC1 9485893 JBQSDPBCPZMNOH-AWEZNQCLSA-N 373.409 1.879 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCCC1 13942276 XSUMECZNPUULBJ-UHFFFAOYSA-N 359.470 1.754 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 6356882 HZJKGNGXXPLSDX-UHFFFAOYSA-N 352.441 1.918 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1C)C1=C(COC1=O)N2 4495958 ZCXWINRVCOIYMU-CYBMUJFWSA-N 353.378 1.623 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(F)c2F)cc1 65428669 HXYIFVGCZGEOPJ-UHFFFAOYSA-N 355.366 1.976 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 6407443 DZGYPHCVQDBCCC-AJKRIUKHSA-N 363.410 1.896 0 40 FDAB O=C(Nc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 14186517 GDAGJNOBCIWWLD-MRVPVSSYSA-N 365.192 1.664 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc(=O)n3ccsc3n2)c1=O 14138597 LUYNWRODIQNXQS-UHFFFAOYSA-N 370.312 1.084 0 40 FDAB COC(=O)c1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1 6672606 NHEAVHUKYWWEPP-DHDCSXOGSA-N 369.402 1.173 0 40 FDAB Cc1cc(F)cc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 173051753 SIJQHLCYVFFFFD-UHFFFAOYSA-N 367.402 1.410 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1cccc(F)c1 7348885 JOSKQDJVQDTQCI-LBPRGKRZSA-N 352.391 1.620 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 16665220 LXUKACYPSXXZAX-ZDUSSCGKSA-N 374.376 1.391 0 40 FDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccco1 8277221 VUDSXPAITJWUHA-AWEZNQCLSA-N 360.366 1.006 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1ncc(Cl)c(Cl)c1=O 96993521 IRUWQAVVWGYXDM-ZDUSSCGKSA-N 367.236 1.681 0 40 FDAB CCn1c(SCCN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4993196 ISQHHZWNXYNHPU-UHFFFAOYSA-N 351.476 1.032 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N[C@H]3CCC(=O)NC3)c2)n1 72230537 YGHVGPXQWCAMBR-AWEZNQCLSA-N 355.398 1.399 0 40 FDAB O=C(NC1CC1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 71289010 DRVYUTOXDPRNCB-UHFFFAOYSA-N 360.757 1.973 0 40 FDAB COC[C@@H](O)CNC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 84247932 BSLBMNNEMVZIOU-KRWDZBQOSA-N 369.421 1.959 0 40 FDAB COc1ccc(C(C)=O)cc1CN1CCN(CCN2C(=O)CCC2=O)CC1 72308433 KDDJQEZYWDHPCO-UHFFFAOYSA-N 373.453 1.164 0 40 FDAB C[C@@]1([C@H]2CCCN(C(=O)CCn3ccc4ccccc43)C2)NC(=O)NC1=O 75094526 MNEUGXKWJBQOPC-YWZLYKJASA-N 368.437 1.868 0 40 FDAB 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0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217666694 DEYGVGFPOVSUJK-RYUDHWBXSA-N 372.443 1.289 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)nc1 46819762 MAGMGBQOSZWVOL-AWEZNQCLSA-N 364.409 1.924 0 40 FDAB S=C(NCc1cccnc1)Nc1nc(Cl)cc(N2CCOCC2)n1 225942136 DPHZGNBXLUGIRH-UHFFFAOYSA-N 364.862 1.848 0 40 FDAB CS(=O)(=O)N1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 67814850 OULUTMGUYHWCBE-HNNXBMFYSA-N 354.447 1.788 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1nc2ccccc2[nH]1 96117383 XWHJEPFCZFYQPF-UHFFFAOYSA-N 351.410 1.705 0 40 FDAB CC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C[C@@]2(CNC(=O)C2)C1 96143297 CXDGUCMRPFULFZ-KRWDZBQOSA-N 364.833 1.542 0 40 FDAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)[C@H](C(=O)OCC)C[C@H]1C(=O)OCC 90464276 KRVFDQLWSXYEOD-SYQHCUMBSA-N 372.414 1.497 0 40 FDAB COc1ccc(CN2CCN(C(=O)NC(C)C)C[C@@]3(CNC(=O)C3)C2)cc1 97952724 PGQXVVVIEAHBFT-FQEVSTJZSA-N 374.485 1.437 0 40 FDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)c2nnc3ccccn23)n[nH]1 95473794 HTUXNLOBFPRREH-LLVKDONJSA-N 364.413 1.961 0 40 FDAB O=C(Nc1cccnc1N1CCCC1)N1CCN(c2ncc(F)cn2)CC1 95940090 SWNCFZGMEVAMND-UHFFFAOYSA-N 371.420 1.965 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96216533 QQKHPLUVOYGLKP-WBVHZDCISA-N 352.456 1.714 0 40 FDAB Cc1cccc(CN2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)n1 96230486 SSIBSSCSHATONO-FQEVSTJZSA-N 351.454 1.708 0 40 FDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)c4cccnc4)CO3)C2)no1 247897922 HTKYLWITMYEGMY-OAHLLOKOSA-N 356.426 1.789 0 40 FDAB COc1cc(C)c(C)cc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 626609783 NBJCHPYVFAAFSD-CYBMUJFWSA-N 371.459 1.094 0 40 FDAB Cc1cc2nc([C@H]3CCCCN3CC(=O)N3CCOCC3)cc(O)n2n1 257342385 ZOIZBEXCICXUTK-OAHLLOKOSA-N 359.430 1.129 0 40 FDAB Cc1nn(C)cc1CCC(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257224916 FDXXRQXQBSSMPE-LJQANCHMSA-N 357.458 1.156 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257309557 UBKGLEMGHRRLAT-OAHLLOKOSA-N 359.455 1.784 0 40 FDAB Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257304638 SMMAOJNCYQCFER-GFCCVEGCSA-N 350.448 1.161 0 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FDAB CCS(=O)(=O)N1CCC(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 2953466 HJAYMHYJHPMAJK-GJZGRUSLSA-N 359.536 1.427 0 40 FDAB O=C([C@@H]1CN(c2ncc(Br)cn2)CCO1)N1CCCCC1 1888834368 UIQZDNRSLFDRFG-LBPRGKRZSA-N 355.236 1.457 0 40 FDAB Clc1cnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc1 1888843416 MEXFQCBEVLXLSQ-UHFFFAOYSA-N 361.837 1.083 0 40 FDAB Cc1cc(Br)cnc1N1CCO[C@@H](C(=O)N2CCOCC2)C1 1888849870 DFVVZGBOPXBGEG-CYBMUJFWSA-N 370.247 1.217 0 40 FDAB Cc1ccc2sc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc2c1C 1889139079 SBOJUYWIIZFSSU-CQSZACIVSA-N 361.467 1.977 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)nc1 1889139498 BKVJRRPSWMIAOA-UHFFFAOYSA-N 359.386 1.148 0 40 FDAB CC(=O)Nc1ccc2c(Cn3cnc4c(cnn4C)c3=O)cc(=O)oc2c1 14634089 ODDBKJNZEZXMAS-UHFFFAOYSA-N 365.349 1.243 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(COCCN(c4nccs4)C3)C2)n1 1614934535 WNDJNQNCZJLUDX-MRXNPFEDSA-N 362.459 1.031 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 1142528957 ADLRAIKGCDRWSZ-UHFFFAOYSA-N 365.430 1.578 0 40 FDAB CN(C)c1ccc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)nn1 2087122342 GLMSPFBQBAEJFA-UHFFFAOYSA-N 355.490 1.477 0 40 FDAB O=C(N1C[C@@H]2Cc3cnc(NCCN4CCCC4)nc3[C@H]2C1)C1(F)CCC1 1565553788 JGNLPIIRLHUTGM-HOTGVXAUSA-N 373.476 1.975 0 40 FDAB COc1ccc(OCCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 12402589 YXNFPCOMKYKLQE-RHSMWYFYSA-N 350.440 1.644 0 40 FDAB CNC(=O)CN1CCC2(CCCN(C(=O)c3ccncc3OC)C2)CC1 2055793302 MNOJKIHKACYMBU-UHFFFAOYSA-N 360.458 1.154 0 40 FDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(c2ccc(C)nn2)C1 2055751296 GDGKBSAYNSXNAI-HXUWFJFHSA-N 369.469 1.999 0 40 FDAB O=C(CC1CC1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055782276 ZHKCNBGDHMSSGN-UHFFFAOYSA-N 358.364 1.679 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cnn(C)c2)CC1 2055732416 IYQODCLNOWEBOG-UHFFFAOYSA-N 359.405 1.392 0 40 FDAB CS(=O)(=O)N1C[C@@H]2CCN(C(=O)c3ccnc(C(F)(F)F)c3)[C@@H]2C1 2055754816 YYEBHWDTZPWKMQ-WDEREUQCSA-N 363.361 1.206 0 40 FDAB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2cccc3ccccc23)C1 217749278 KOIKFOUNNLRRMU-UHFFFAOYSA-N 362.432 1.908 0 40 FDAB 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COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(C)=O)n2)cc1 1372845 ATBXPQLMOYGQJC-UHFFFAOYSA-N 366.381 1.946 0 40 FDAB CN1C(=O)N(CC(=O)Nc2nc(C(F)(F)F)n[nH]2)C(=O)C12CCCCC2 36714229 CYYHWXRNMLMXGT-UHFFFAOYSA-N 374.323 1.359 0 40 FDAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCN(C)C)nc4c3c2C1 2229302 PVMZHBLXCQTTQB-SNVBAGLBSA-N 358.471 1.755 0 40 FDAB C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 4213738 MPQWSYJGFLADEW-SJCJKPOMSA-N 372.421 1.864 0 40 FDAB in-man O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2cccc(F)c2)CC1 101217920 RHLDDOBBHDDBSV-DSIZOQBWSA-N 368.408 1.781 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 51673848 CEFMTVVZKFKXJY-HZPDHXFCSA-N 370.446 1.703 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)OCN1C(=O)c3ccccc3C1=O)CS2 6944134 YLLZFRBBJIOYSA-SJCJKPOMSA-N 360.391 1.237 0 40 FDAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc2ccccn12 29354506 BQIDWZSHXBEZQR-UHFFFAOYSA-N 369.450 1.726 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022128 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1.681 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3NS(C)(=O)=O)ccc21 4941309 WHKQJVWCVYSITM-UHFFFAOYSA-N 374.422 1.501 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1-n1cnnn1 80351283 PJHGONSCPFUNLK-OAHLLOKOSA-N 369.356 1.316 0 40 FDAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCNC(C)=O 70754915 MNNQQAIBNHQFGM-UHFFFAOYSA-N 358.398 1.622 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1CCOc1ccc(Br)cc1 96797855 FVKWLGHZRPENSI-CYBMUJFWSA-N 371.231 1.191 0 40 FDAB Cn1ncc(C(=O)OCCNC(=O)c2ccncc2)c1Br 97164825 GDEIMBAQUUKIED-UHFFFAOYSA-N 353.176 1.164 0 40 FDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)s1 306142373 WXVPWOJVYLHKMZ-DJIMGWMZSA-N 358.467 1.723 0 40 FDAB O=C1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)[C@@H]2CCCC[C@H]2N1 79102466 BYEWCFAZLRURLJ-QZTJIDSGSA-N 365.433 1.780 0 40 FDAB CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(=O)O 95970169 CULJVBIKMHZMDS-WFASDCNBSA-N 370.471 1.945 0 40 FDAB NC(=O)CC1(NC(=O)CSCC(=O)c2ccccc2)CCOCC1 75094494 YQAIJQQDWSXBJW-UHFFFAOYSA-N 350.440 1.143 0 40 FDAB COc1ccc2ccn([C@@H](C)C(=O)N3CCN(C(C)=O)CC3)c(=O)c2c1 89507270 ZGIAYNVMUWKCTA-ZDUSSCGKSA-N 357.410 1.262 0 40 FDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)cc1 408587684 BVXSFOWPJWJGKA-ZDUSSCGKSA-N 358.460 1.295 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(CC3CCC3)C[C@H]12)c1ccccc1 306128632 HGKZCOHQPQZTKO-CGTJXYLNSA-N 350.484 1.712 0 40 FDAB CS(=O)(=O)CCN1CCN(C(=O)c2cccc(C(F)F)c2F)CC1 528402332 DRCUWCJULGOGGQ-UHFFFAOYSA-N 364.389 1.566 0 40 FDAB Cc1nnc(C2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)s1 75165423 UUWUAXMHCJJFEW-UHFFFAOYSA-N 359.455 1.764 0 40 FDAB CC(C)NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326633 HRMDKELYZWLIOK-YJYMSZOUSA-N 359.426 1.431 0 40 FDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241367 UZJCHCKAJZXRDF-HZPDHXFCSA-N 354.834 1.781 0 40 FDAB COc1c(F)c(F)cc(C(=O)N2CC(CN3C(=O)CCC3=O)C2)c1F 670073832 HGBDFFBYXYUSBN-UHFFFAOYSA-N 356.300 1.334 0 40 FDAB CN(C)c1ccc(-c2nnc([C@H]3CCN(C(=O)CCC(=O)O)C3)o2)cc1 49170892 FMFQYCOHSZXREA-ZDUSSCGKSA-N 358.398 1.983 0 40 FDAB biogenic,in-vitro O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 45858777 VMHQLTUMOPATFA-RISCZKNCSA-N 359.407 1.913 0 40 FDAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 47080908 ONPKFBGCUXBMBM-SECBINFHSA-N 367.254 1.519 0 40 FDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cnn(-c3ccccc3)n2)n[nH]1 225551642 RJECFAYTEWYOEL-INIZCTEOSA-N 365.397 1.457 0 40 FDAB CN(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224184421 PGUHNJWCGVLIQK-UHFFFAOYSA-N 367.496 1.865 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225506608 BZRSDBMSWJLZKK-HNNXBMFYSA-N 372.473 1.885 0 40 FDAB COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)nc2c1 43735518 ZTKYSQQEFVALOZ-IMODNSLOSA-N 358.375 1.676 0 40 FDAB CC[C@@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)cc1 223759569 GLXSPIDWYIEANM-GFCCVEGCSA-N 370.456 1.935 0 40 FDAB C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccccc1 222772685 LQQIGIJNJHXCHZ-KRWDZBQOSA-N 370.449 1.981 0 40 FDAB COc1ccc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)cc1 96228284 MQVOFIGQQDWJBA-UHFFFAOYSA-N 352.456 1.612 0 40 FDAB Cn1nnnc1COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 96101372 GNJHHMFMBCZJLL-UHFFFAOYSA-N 353.338 1.770 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 96250635 CRFPHCFDAKNGLT-BPQIPLTHSA-N 354.410 1.708 0 40 FDAB CC1(C)CC(=O)N(CCCC(=O)NCCN2CCOCC2)c2ccccc21 96184043 IUHOCIKBYYNOSX-UHFFFAOYSA-N 373.497 1.930 0 40 FDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CCN(C)C)C2)c1 248126761 OWZSYUDSDXQRBB-INIZCTEOSA-N 362.499 1.964 0 40 FDAB CC1(C)CCCN(CCNS(=O)(=O)c2cc(F)cc(C(=O)O)c2)C1 435469217 IDDWMLRHAAFUIH-UHFFFAOYSA-N 358.435 1.924 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2cn(C)cn2)c1 257234205 GSONFUWJQRDQFP-UHFFFAOYSA-N 352.398 1.172 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccc(C)nc2)C1 257294977 QWMNKBZVXRMVOR-HXUWFJFHSA-N 354.454 1.884 0 40 FDAB CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(F)c(OC)cc1OC 585084760 WRSLLDMGNYFKGU-LBPRGKRZSA-N 360.451 1.948 0 40 FDAB COCCN1CN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1=O 282569341 YSZQMYROAZQANR-UHFFFAOYSA-N 361.446 1.030 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)c3ccc4ccncc4c3)CC2)C1=O 652162410 PCTGUNQPIFSHSF-SFHVURJKSA-N 352.438 1.660 0 40 FDAB C[C@@H]1c2ccccc2OCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 660184501 ROZDRMAELQPPHM-ZIAGYGMSSA-N 373.496 1.597 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 585108397 FOWHHEYTNNRLHV-VQIMIIECSA-N 358.442 1.086 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1Cc1cccc(F)c1 585279133 VGELNWIKWKZYFZ-ROUUACIJSA-N 356.401 1.968 0 40 FDAB CN1CCC[C@@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585284149 FIAGAORGYQOSAK-QUIPCFFLSA-N 350.434 1.945 0 40 FDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)N1CC[C@H](O)C(F)(F)C1 1548449236 FCPYKHBRWWHIDN-LBPRGKRZSA-N 366.361 1.011 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 5268191 CUGULNMFJFWUMZ-UHFFFAOYSA-N 352.350 1.592 0 40 FDAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 5450075 GGGNOOTUNFIADO-SFHVURJKSA-N 361.398 1.487 0 40 FDAB O=C(NCCO)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12226562 DCNJPPNVEXZGMS-OAHLLOKOSA-N 350.390 1.614 0 40 FDAB COc1cc(CCC(=O)NCCn2nc(-c3cccs3)oc2=O)on1 19550470 BBFHBHFIRJJYET-UHFFFAOYSA-N 364.383 1.310 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)NC2CC2)cn1 19766670 DTSYYMPUXVYDBJ-INIZCTEOSA-N 366.425 1.753 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 165696936 HVINPIUXVIDTIO-BCBCSNLJSA-N 370.405 1.588 0 40 FDAB CC(C)c1noc(CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)n1 575606930 PPQSFRRVYGGCEC-UHFFFAOYSA-N 374.367 1.944 0 40 FDAB CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1=O 36397422 LVAYQQGOGYPPNF-NSHDSACASA-N 353.444 1.180 0 40 FDAB COc1nc(N2CCC[C@@H](NC(=O)C3CC3)C2)ncc1Br 1888850120 RGKXFQOUPBWABK-SNVBAGLBSA-N 355.236 1.743 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncc(F)cn5)C[C@H]4C3)ncnc21 1888897278 JTJISSOPORTGGJ-TXEJJXNPSA-N 354.393 1.348 0 40 FDAB CCc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C2CC2)n1 1888897791 UZBSWRHBKNEIDW-UHFFFAOYSA-N 350.430 1.681 0 40 FDAB CCc1ccc2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)sc2c1 1889141339 TZLOHNPKKQYTAD-HNNXBMFYSA-N 361.467 1.923 0 40 FDAB NC(=O)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CC1 23350432 WBLCAMSTUKSRPN-UHFFFAOYSA-N 367.381 1.650 0 40 FDAB Cc1ncnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1C 882004036 XWXWYKZQBKBPHP-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)CN3CCOC3=O)C[C@H]2c2ccccc2)n1 238929442 UYIAOSJENVYEIC-LSDHHAIUSA-N 356.382 1.540 0 40 FDAB CCC(CC)NC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)CCF)C1)OC2 1565554022 OXFJXVIQMGFRLO-KRWDZBQOSA-N 367.425 1.057 0 40 FDAB CCOC(=O)[C@@H](CC)Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 4959700 IKIUWOFSHWVNSQ-SECBINFHSA-N 366.399 1.631 0 40 FDAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2cccnc2)C1=O)c1ccco1 9303160 FRFQSDFKNWLGRQ-CQSZACIVSA-N 368.271 1.619 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cc(C3CC3)on2)CC1 2055746393 WWUCWIVFIKBKMH-UHFFFAOYSA-N 372.429 1.118 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@]1(O)CCc2ccccc2C1 85560465 KCRJHNYEJVANCE-NRFANRHFSA-N 368.433 1.348 0 40 FDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCCn1cccn1 30168363 RQNJJPBRXHTMNE-ZDUSSCGKSA-N 350.444 1.534 0 40 FDAB COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C(N)=O)[C@@H]2CO)ccc1O 4769478 KNODYRWGQKZVLY-NJSLBKSFSA-N 373.405 1.513 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccccc1F 6817886 HYCJLZRELAKJSF-UHFFFAOYSA-N 356.404 1.714 0 40 FDAB Cn1c(=O)c(=O)n(C)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 6826254 FHCMNYQUAFPMAR-UHFFFAOYSA-N 353.334 1.218 0 40 FDAB Cc1ccc(-c2nnc([C@@H](C)n3cnc4c3c(=O)n(C)c(=O)n4C)o2)cc1 7029245 ZPHODRKLWIGCNM-LLVKDONJSA-N 366.381 1.401 0 40 FDAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NC(C)(C)C)c(=O)c1CCO 67316849 MWKVAMJYFJABNH-UHFFFAOYSA-N 361.417 1.807 0 40 FDAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8300146 QOEKDNQLMPOMNW-XHSDSOJGSA-N 361.490 1.275 0 40 FDAB biogenic,in-vitro O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1nc(-c2cccs2)oc1=O 32752695 PDCKMEQMXOFCHZ-JTQLQIEISA-N 371.374 1.222 0 40 FDAB Cc1csc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)n1 21482588 YIMSRGXQHSHLJM-UHFFFAOYSA-N 353.469 1.842 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 108536337 YJMYBWHUZWUYIU-CQSZACIVSA-N 356.430 1.476 0 40 FDAB Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cn1 29832149 PBXLEXVETFCMIQ-UHFFFAOYSA-N 363.421 1.356 0 40 FDAB COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC 643674 PNRVNTPAQMAFEY-UHFFFAOYSA-N 351.311 1.941 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C[C@@H](C)O1 42168963 PBOWNRASUWZIMH-OKILXGFUSA-N 369.487 1.847 0 40 FDAB Cc1nonc1NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100751214 WQYFLTFEZWFIKE-STQMWFEESA-N 360.389 1.970 0 40 FDAB CCNC(=O)CN1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 46786677 PAULYRAFSCPWAR-UHFFFAOYSA-N 353.850 1.389 0 40 FDAB CN(CCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1)CC(F)(F)F 46833315 JPZHTQSEAURJBG-CQSZACIVSA-N 370.379 1.457 0 40 FDAB CN(C(=O)CN1CCOCC1)c1ccccc1C(=O)NCc1ccco1 23703187 FCLLTDCCQVWPDO-UHFFFAOYSA-N 357.410 1.505 0 40 FDAB COCCn1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1=O 47305449 GZBIANMOWFXJBH-QGZVFWFLSA-N 360.385 1.848 0 40 FDAB C[C@@H](OC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(N)=O 12426415 JSMKPNWOYZEZQC-LHLIQPBNSA-N 362.329 1.925 0 40 FDAB 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O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2C(=O)COC2=O)CC1 253406166 UGZYLZSDEWJFBD-UHFFFAOYSA-N 357.288 1.684 0 40 FDAB CCCCS(=O)(=O)N1CC[C@H](CNc2nc(C)nc3c2cnn3C)C1 585080328 MKXUNXOROGKXGR-CYBMUJFWSA-N 366.491 1.535 0 40 FDAB OC1CCN([C@H]2[C@H](Nc3ncccn3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257336795 YQBDCJQKZFVRHX-YRXWBPOGSA-N 370.453 1.295 0 40 FDAB CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257236423 HCCOMYMPMJJKMR-JFIYKMOQSA-N 356.426 1.726 0 40 FDAB CCCn1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1 257267520 MHQBJUKLUZUFBX-MRXNPFEDSA-N 356.417 1.601 0 40 FDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCCn3ccnc3)C[C@@H]21 257327430 XBIAFECUUIPKRE-IXDOHACOSA-N 354.458 1.827 0 40 FDAB COC(=O)[C@@H]1CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2C1 601043491 BPLUAKAWSSOOPL-MRXNPFEDSA-N 369.469 1.378 0 40 FDAB Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCC(C)(C)n1cccn1 632736396 VFLBPPGUWPUHQN-UHFFFAOYSA-N 351.354 1.349 0 40 FDAB C[C@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 678024990 DLAMHZRBEXHYRI-PBHICJAKSA-N 370.446 1.718 0 40 FDAB NC(=O)c1cccc(Oc2ccc(NC(=O)NC[C@@H]3CNC(=O)C3)cc2)c1 1209227328 LMEKEFIVTRNUHL-LBPRGKRZSA-N 368.393 1.835 0 40 FDAB CCc1ocnc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)CC(C)C 1775992992 WHJJGEOOBRFIKD-KGLIPLIRSA-N 351.447 1.876 0 40 FDAB COc1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2cccc(C(C)C)n2)nn1 1775997272 ZKRKLLGKHVEVFR-CYBMUJFWSA-N 371.441 1.894 0 40 FDAB CCCc1onc(C)c1C(=O)N1CC2(CN(C)C[C@H]2c2n[nH]c(C)n2)C1 1775958406 XEAIGTBMNIADOY-ZDUSSCGKSA-N 358.446 1.533 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1F 647927939 AKNFYLFGNIGNKQ-CYBMUJFWSA-N 354.359 1.204 0 40 FDAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cncn2)nn1 96097860 SVMGICCKPFEIOO-UHFFFAOYSA-N 350.367 1.828 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095203 JZOFPOUAXJPILX-XYPHTWIQSA-N 360.458 1.355 0 40 FDAB NS(=O)(=O)c1ccc2nc(N3CCO[C@@H](Cc4ccccc4)C3)[nH]c2c1 663774010 SIRHWZBTOYHOFH-AWEZNQCLSA-N 372.450 1.658 0 40 FDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@H](C)Cc1ccccn1 656180255 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Cc1noc(C)c1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257248762 JFCNNFSKGBRUQT-QGZVFWFLSA-N 356.426 1.032 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2cnn(CCF)c2)cc2c1OCCO2 629320545 JNORQXFMDPJZQY-UHFFFAOYSA-N 371.346 1.123 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1c(C)ccc2cccnc12 643971290 HZXVEWHGDDWKEC-KRWDZBQOSA-N 364.423 1.798 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(OCCOC)cc1 643950405 GSIWTHBKWOYJOP-SFHVURJKSA-N 350.415 1.079 0 40 FDAB COCCOc1ncccc1NC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 665963872 IWHIXDUHBFIGSM-RYUDHWBXSA-N 357.432 1.194 0 40 FDAB Cc1ccc2cccnc2c1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)O 681571186 RERVQCRMGJCGEY-TZMCWYRMSA-N 364.423 1.701 0 40 FDAB O=C(NCc1ccncc1O[C@H]1CCNC1)c1cc(F)cc2nc[nH]c12 685940474 BNMJKBWROJBQRR-ZDUSSCGKSA-N 355.373 1.768 0 40 FDAB CC(C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2CC(=O)NCc1ccco1)C(F)F 1775986934 ADLDLOJDCLNMGF-IACUBPJLSA-N 369.412 1.909 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)C[C@H]1OCC[C@H]1c1nc[nH]n1 1775957709 JTBKNUPTSNJXIN-SJLPKXTDSA-N 357.458 1.646 0 40 FDAB CN(CC(=O)N1CC[C@](O)(COc2ccccc2)C1)Cc1ccncc1 585275800 JQNZPEWQKXULMS-HXUWFJFHSA-N 355.438 1.556 0 40 FDAB COCCN1CC[C@@]2(CN(Cc3cnn(C)c3C)CC(F)(F)C2)C1=O 585093404 UVPZSWIXTZIIBH-MRXNPFEDSA-N 356.417 1.435 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NC(=O)Cc3ccccc3F)cc2N1 585271532 IGQKTEPLLGQUTG-UHFFFAOYSA-N 364.354 1.204 0 40 FDAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCOCC1)C2 585104872 UZCCARJNGNOQOQ-LJQANCHMSA-N 374.481 1.665 0 40 FDAB Cc1noc(C2CCN(C(=O)NCC(=O)N(C)Cc3ccccc3)CC2)n1 64225032 PQTVTORRGMMXJO-UHFFFAOYSA-N 371.441 1.926 0 40 FDAB O=C(CN1CCC(O)(Cn2cnc3ccccc32)CC1)Nc1nccs1 12128190 BMIRUMMMNYTILK-UHFFFAOYSA-N 371.466 1.958 0 40 FDAB CCc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 12143727 MQPPOWAZQZQDQL-SECBINFHSA-N 350.400 1.801 0 40 FDAB CC[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 12239894 DLMUASNUOJKRPN-MRXNPFEDSA-N 367.515 1.503 0 40 FDAB CCS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 13610396 LSVHLZSDPDLEPA-HNNXBMFYSA-N 352.456 1.698 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCCCCC2)cc1 13688686 INWKXMDGZMTFDO-UHFFFAOYSA-N 367.515 1.608 0 40 FDAB CC[C@H](C(=O)NCCCN(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713980 RCVZRMOTAQNKGO-MRXNPFEDSA-N 355.504 1.608 0 40 FDAB CN1CCc2nc(C3CCN(C(=O)[C@@H]4CC(=O)OC4(C)C)CC3)ncc2C1 19460409 YCWZFMBFVCULTC-HNNXBMFYSA-N 372.469 1.512 0 40 FDAB CN(C(=O)CN1CCc2nnc([C@H]3CCCN3)n2CC1)C1CCCCC1 19706297 BKXXBWQSILVDPH-MRXNPFEDSA-N 360.506 1.352 0 40 FDAB CCc1noc(CCC(=O)N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)n1 19746918 RZJWDPPUNYZMSL-GOSISDBHSA-N 364.446 1.241 0 40 FDAB CC(C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23233056 YAISQKVQZCECAA-UHFFFAOYSA-N 350.373 1.241 0 40 FDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1ccccc1C(N)=O 10843478 FVHGONDYKSGVQS-UHFFFAOYSA-N 352.394 1.961 0 40 FDAB COCc1nsc(N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)n1 1888866395 URDWBKNBDTWKDA-UHFFFAOYSA-N 366.422 1.523 0 40 FDAB Cc1nc(N2CCN(c3cc(N(C)C)ncn3)CC2)c2ccncc2n1 1889148999 SDMIVKIKCREZEQ-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)[C@@H](C)N2CCc3ccccc32)o1 1775957414 SXLNQFVAOMLUCE-XNRPHZJLSA-N 356.426 1.718 0 40 FDAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226279 OKSLWSCFTICJMT-HKUYNNGSSA-N 374.416 1.225 0 40 FDAB COc1cc(NC(=O)CCCC(=O)OC[C@H]2CCCO2)nc(OC)n1 4499381 FGVNEDJRFHIFRQ-LLVKDONJSA-N 353.375 1.325 0 40 FDAB COc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c(OC)c1 10250783 UZYZNHBQMNJUBY-UHFFFAOYSA-N 371.397 1.749 0 40 FDAB O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 15109297 RYPOTZQSODFBCB-UHFFFAOYSA-N 364.408 1.887 0 40 FDAB Cn1c(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)cccc1=O 2055830260 JEKMLOXJEAISIO-YJYMSZOUSA-N 373.384 1.372 0 40 FDAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)c1 49409390 LIVQEEYYXSSECB-UHFFFAOYSA-N 357.395 1.207 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(-c3cccnc3)on1)C2 606440859 WZNZOBZXVUGIMB-CQSZACIVSA-N 364.409 1.880 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c(OC)c1 40089989 MQXUALLCZXBGTA-LBPRGKRZSA-N 356.444 1.105 0 40 FDAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 31182299 MLOGUPIWAUTOFK-AWEZNQCLSA-N 364.467 1.966 0 40 FDAB CN1CCN(C[C@@H](NC(=O)C(=O)Nc2ccccc2)c2ccccc2)CC1 68191104 NOCKPRHXPJQHJS-LJQANCHMSA-N 366.465 1.730 0 40 FDAB C[C@H](CN(C)C)On1c(S[C@H](C)CN(C)C)nc2ccccc2c1=O 2409306 AKYMJUSVGAWJBS-ZIAGYGMSSA-N 364.515 1.817 0 40 FDAB CCOC(=O)c1ccccc1C(=O)N1CCOCCOCCOCC1 3900476 KVDIUVPDAUAAKS-UHFFFAOYSA-N 351.399 1.369 0 40 FDAB CCCCn1nc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1=O 20928752 SUXXPUUIVGOWIK-UHFFFAOYSA-N 367.409 1.552 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N3CCC[C@H](NC(=O)C(C)C)C3)ccc21 60344847 MXTCYFVERLQJFS-KRWDZBQOSA-N 357.454 1.972 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100171879 LFVFPKJVNOVIAU-JUFZMCDQSA-N 350.168 1.254 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1 60389404 TVNCCFPTOMJLLY-CYBMUJFWSA-N 367.471 1.714 0 40 FDAB CCS(=O)(=O)NCCNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 32914517 HKPFTTLSLPDNEI-UHFFFAOYSA-N 374.462 1.895 0 40 FDAB CNC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 41722050 RWULQWHEKWLVCJ-UHFFFAOYSA-N 367.405 1.973 0 40 FDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-n2cnnn2)c1 22923723 VBGMQCKGVHIPOR-UHFFFAOYSA-N 370.457 1.427 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CCC2CCCCC2)CC1 54292242 AWGFCUVSIZQVIC-AWEZNQCLSA-N 352.479 1.335 0 40 FDAB CC(=O)Nc1ccccc1OCC(=O)N1CCN(c2ncccn2)CC1 7895578 IFUUAFHSBYHDDI-UHFFFAOYSA-N 355.398 1.163 0 40 FDAB CNC(=O)Cn1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1 55641222 LNWOQMUPSVSQGQ-UHFFFAOYSA-N 363.226 1.737 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O 7990606 MRQAKJZGXZMBBY-HNNXBMFYSA-N 370.453 1.721 0 40 FDAB Cc1cc(N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n2ncnc2n1 306144649 ZKXBIKLZLVWXCK-CQSZACIVSA-N 354.439 1.971 0 40 FDAB CC(C)Oc1nnc(S[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 58203532 XOBHCBONDWKNEI-UWVGGRQHSA-N 358.489 1.530 0 40 FDAB Nc1ncnc2sc3c(c12)CCN(c1nnnn1-c1ccccc1)C3 12597808 LNXMFLXMMXDHCY-UHFFFAOYSA-N 350.411 1.812 0 40 FDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 47931739 ZGQKMZGNRRKJQB-OAHLLOKOSA-N 367.409 1.337 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1)Nc1ccc(F)cc1 48253841 IYGDDHZBNQCOSG-UHFFFAOYSA-N 371.416 1.823 0 40 FDAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12832100 WYTQAZVVVNFNFG-UHFFFAOYSA-N 357.345 1.433 0 40 FDAB NC(=O)c1cc(I)ccc1I 4181843 DKMYXCUHBLFEDT-UHFFFAOYSA-N 372.931 1.995 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)c1C 8326065 BBYWHDHDQQEHKM-NSHDSACASA-N 367.402 1.588 0 40 FDAB Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)N(C)C 5020787 LFFKQPUNEIQFFX-YPMHNXCESA-N 354.428 1.383 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3S2(=O)=O)cs1 306130818 JQCDDEJOHJKKFI-GOEBONIOSA-N 364.496 1.493 0 40 FDAB O=C1CN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)CCN1 14093150 KEDMDQKIVOEOGV-UHFFFAOYSA-N 351.450 1.690 0 40 FDAB COc1ccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 21924495 USXHIGIIBBQHQI-UHFFFAOYSA-N 367.405 1.747 0 40 FDAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 66842513 TYDUKLMZNHJSIA-UHFFFAOYSA-N 354.476 1.034 0 40 FDAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)N(C)C)CC3)coc2c1C 17799784 RQPMNIJPONWSMZ-UHFFFAOYSA-N 357.454 1.825 0 40 FDAB COC(=O)c1cc(CNC(=O)c2cnc3sccn3c2=O)ccc1OC 15723320 LECBXGMIDGJBLD-UHFFFAOYSA-N 373.390 1.481 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 8752606 DILCVSLPZFSNKP-QPUJVOFHSA-N 355.847 1.784 0 40 FDAB O=C(O)CNC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 9043351 QQKKIHLWHWPLDL-OAHLLOKOSA-N 367.361 1.087 0 40 FDAB biogenic COC(=O)c1cnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)s1 9514691 MTLLASQDCAMUDZ-MRVPVSSYSA-N 359.363 1.553 0 40 FDAB COc1cccc(CN2CCOC[C@@H]2CC(=O)NCc2c(C)n[nH]c2C)c1 72448306 FPROKEYEWWWXDX-KRWDZBQOSA-N 372.469 1.942 0 40 FDAB O=C(NCCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc2[nH]nnc2c1 84452034 MYYMDCAIIZAISF-CVEARBPZSA-N 357.414 1.248 0 40 FDAB CCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 84761203 KHTFYWQPIXQCCH-ZDUSSCGKSA-N 371.890 1.984 0 40 FDAB CC(C)CCC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961334 XNDBWLNDKBBASF-KRWDZBQOSA-N 361.490 1.496 0 40 FDAB COC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)Sc1nnc(N)s1 89396155 XHCJWVNBWPFLBI-VIFPVBQESA-N 364.408 1.050 0 40 FDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1-n1cnnn1 79194248 PDZAAGXHZJJVTR-XJKSGUPXSA-N 358.421 1.796 0 40 FDAB biogenic O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@@H](CO)[C@H](O)C1 545989913 AWELGKNQDSAWMX-GXFFZTMASA-N 373.331 1.120 0 40 FDAB Cc1c(Br)cnn1[C@H](C)C(=O)NCCCN1CCOCC1 36611039 HXQTXEVGKAJIFW-GFCCVEGCSA-N 359.268 1.354 0 40 FDAB COc1cc(/C=C/C(=O)NCCCn2ncccc2=O)cc(OC)c1OC 38517177 GYELGLGOLAFHFV-BQYQJAHWSA-N 373.409 1.489 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)n[nH]1 527196196 KXRTUAPJDVPYBK-RFHZTLPTSA-N 373.379 1.113 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377832 RUPLMDYHMIMAJB-CYBMUJFWSA-N 363.447 1.344 0 40 FDAB C[C@H]1CN(C(=O)N=c2nc(Cc3ccc(F)cc3)[nH]o2)CC[S@](=O)C1 563103155 KWRLGXIKHHVJNW-FTJNGKRUSA-N 366.418 1.454 0 40 FDAB COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 61977986 YVGPUTUHUMTWHG-UHFFFAOYSA-N 367.331 1.861 0 40 FDAB O=C(O)c1cc(Br)ccc1NC(=O)c1nccnc1C(=O)O 72400572 UXQBLTZSTFLFMQ-UHFFFAOYSA-N 366.127 1.888 0 40 FDAB COc1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc(OC)c1 376735914 JJIAIUNZDWAFHJ-UHFFFAOYSA-N 354.472 1.704 0 40 FDAB COc1ccccc1NC(=O)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436110 GGNLQYANBVILMF-OAHLLOKOSA-N 374.441 1.828 0 40 FDAB biogenic,in-vitro O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2NCCCn1ccnc1 41104823 BAAMOGSXCVHKQO-MRXNPFEDSA-N 357.458 1.906 0 40 FDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cn2cnc3ccccc32)n[nH]1 225551937 WGRKKFWJOIUAKY-INIZCTEOSA-N 352.398 1.612 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224360369 NELITGAKFHTOMG-CQSZACIVSA-N 371.441 1.785 0 40 FDAB O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCOC[C@@H]1c1ccccc1 332863103 ANEXDFHHOCYYCX-GOEBONIOSA-N 352.456 1.594 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)N3Cc4ccccc4CO3)CC(=O)N2C)cnn1C 575947969 HDPQJBSTDNXCFO-YJBOKZPZSA-N 354.410 1.722 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1nccs1)C2 96110082 HYFOPUPLFDTVKS-RDTXWAMCSA-N 358.467 1.645 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2=O)n1 96224725 XCAKCIGLJRGNLI-OXJNMPFZSA-N 357.454 1.768 0 40 FDAB CO[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96209033 ZNYCBMFFLOKEAY-BBWFWOEESA-N 356.426 1.740 0 40 FDAB C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(Cc1ccc(S(C)(=O)=O)o1)C2=O 579685309 YYDZAKPKRZXODK-GHMZBOCLSA-N 354.428 1.930 0 40 FDAB Cc1nc(COC[C@@H]2CCOC23CN(C(=O)c2ccnn2C)C3)cs1 248003235 BFYSUUPXKVBQJY-ZDUSSCGKSA-N 362.455 1.633 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC2(C[C@@H](OCC3CC3)CS2)C1 248035444 MQIJBGJNXRYNRX-CQSZACIVSA-N 371.528 1.712 0 40 FDAB Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)Nc1cnc(C2CC2)nc1 585138554 ASSGLSRLDAKMNY-MRXNPFEDSA-N 364.413 1.990 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cn2)C[C@H]1C(N)=O 257233429 GPFJNJHBLPHDGA-KRWDZBQOSA-N 354.410 1.048 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1cncs1 257341568 ZKXLQQOTWMMBAB-LMSBXDPUSA-N 373.478 1.918 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(Cc2ccccn2)C3)n1 253476746 BDVHJXOLYDKODS-HNNXBMFYSA-N 374.466 1.248 0 40 FDAB CCc1ocnc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)CC(C)C 1775992993 WHJJGEOOBRFIKD-UONOGXRCSA-N 351.447 1.876 0 40 FDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1ccnn1-c1ccccc1 1775960143 UPWWFJSFFJLGHW-GDBMZVCRSA-N 352.398 1.635 0 40 FDAB Cc1cnn([C@H]2CCN(C(=O)Nc3ccc(-c4nnnn4C)cc3)C2)c1 626769602 LRFJOZWPBDMISJ-HNNXBMFYSA-N 352.402 1.861 0 40 FDAB CC[C@H](NC(=O)N1CCc2nnc(O)cc2C1)c1nnc2n1CCCCC2 1116677420 ASTDRVVGOLUMQB-ZDUSSCGKSA-N 371.445 1.719 0 40 FDAB NC(=O)Cc1ccc(CNC(=O)N2CCC[C@@H](N3CCCC3)CC2)cc1 643175616 ATQMODJTFSXTSI-GOSISDBHSA-N 358.486 1.874 0 40 FDAB CN(C)c1nc(CCNC(=O)Cc2c(Br)cnn2C)cs1 1136565108 GQZIEJKFHRXLIU-UHFFFAOYSA-N 372.292 1.607 0 40 FDAB CCn1cc(NC(=O)CN(C)c2nc3ccccc3s2)c(C(N)=O)n1 1160253841 FMMQCHXYWORSMB-UHFFFAOYSA-N 358.427 1.687 0 40 FDAB O=S(=O)(c1c(Cl)nc2sccn12)N1CCC[C@]2(CCNC2)C1 67673286 GKNAYANMJMJETG-CYBMUJFWSA-N 360.892 1.813 0 40 FDAB CNc1cnc(C(=O)N2CCO[C@](CO)(Cc3ccc(C)cc3)C2)nc1 585279483 ZPMUEHVLPRIVNZ-LJQANCHMSA-N 356.426 1.273 0 40 FDAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 585110090 HWBJQWCNEAXBQP-GOEBONIOSA-N 368.437 1.301 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NC1CCCCCC1 51427312 RWFYJGGLUHFCFD-AWEZNQCLSA-N 360.476 1.183 0 40 FDAB CN(C)C(=O)CS(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 55213836 IABDHYDQOMYDSL-UHFFFAOYSA-N 352.456 1.316 0 40 FDAB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 8110976 QACHHLGYJYBTDN-OQFOIZHKSA-N 367.745 1.002 0 40 FDAB Cc1ccc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)c1 14121598 NFXJHPXMEUMVRY-UHFFFAOYSA-N 373.434 1.654 0 40 FDAB COc1ccc(-n2c(NN)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1 15424561 ZABGAURMWBVZNA-UHFFFAOYSA-N 372.381 1.706 0 40 FDAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CCCCO2)C3)CC1 19016833 IOJCLMFOBJSIFO-GOSISDBHSA-N 372.469 1.656 0 40 FDAB CC(=O)N[C@@H]1CN(C)C2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 19704838 NIUTWTZXGLIERD-KRWDZBQOSA-N 362.449 1.439 0 40 FDAB CNc1cc(CN(C)CC(=O)NC2CCCCC2)nc([C@H]2CCCNC2)n1 19709702 QYEHJZFSUBQKCT-HNNXBMFYSA-N 374.533 1.866 0 40 FDAB C[C@@H](CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)nc1 19719336 NMGGKQNHKIFUHV-HNNXBMFYSA-N 358.446 1.070 0 40 FDAB OCCOCCOCCOc1ccc(I)cn1 166790669 NYCKOPKJAVKWAT-UHFFFAOYSA-N 353.156 1.091 0 40 FDAB O=C(c1ccc2nc[nH]c2n1)N1CCN(c2ncnc3ccsc23)CC1 537732967 BTWIULMISYJMDL-UHFFFAOYSA-N 365.422 1.925 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCc2ccccc21 3552072 ARRHLWRWOSFLLD-CYBMUJFWSA-N 363.377 1.797 0 40 FDAB Cc1nc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)cc(C(C)(C)C)n1 1888834267 OKEKKWQWQREHHY-MRXNPFEDSA-N 357.502 1.968 0 40 FDAB CN1CC[C@@H](N2CCC[C@H](COc3ncc(Br)cn3)C2)C1=O 1848573070 AXRHCPJWROPBPX-WCQYABFASA-N 369.263 1.561 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)c1csnn1)C2 1565553423 YLAOICNDEUJSDG-CXAGYDPISA-N 357.439 1.444 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2O1 1565549917 JKLZBGAXPNHWKF-UAGQMJEPSA-N 358.442 1.084 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)c1ccccc1 9001183 BKVQUQUFDXGBLQ-UHFFFAOYSA-N 372.384 1.884 0 40 FDAB COc1ccc(N2CCn3c2nnc(C(=O)NCc2ccco2)c3=O)cc1 12233963 HEXPKDUIULSNRH-UHFFFAOYSA-N 367.365 1.322 0 40 FDAB COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccno3)o2)cc1 12234574 VCDRBKIMHDJCLF-UHFFFAOYSA-N 364.339 1.146 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nccs3)c2C)n1 16849616 XYYOIVMOVUPPBJ-UHFFFAOYSA-N 358.427 1.909 0 40 FDAB O=C(CCc1ccc[nH]1)N1C[C@H]2OCCN(C(=O)c3cscn3)C[C@H]2C1 2055734554 IUIRDTJKPWPOJK-XJKSGUPXSA-N 374.466 1.403 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCc1cn(-c2ccsc2)nn1 585150061 QDDBNRXZNRGZCV-UHFFFAOYSA-N 355.379 1.553 0 40 FDAB COC[C@@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)OC 585147702 KVXTYNLSNXAELS-CQSZACIVSA-N 364.320 1.691 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2ccnc(N3CCCC3=O)c2)cc1 575621163 YNUHUIRPGPBDMB-UHFFFAOYSA-N 353.378 1.925 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@@H]1CS[C@@]2(C)CSCC(=O)N12 40149019 OPIBDZDLGKJVFG-YOEHRIQHSA-N 366.508 1.931 0 40 FDAB COCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2nc2c1CCCC2 1565047 LLGBSLSEEBFNNT-UHFFFAOYSA-N 352.394 1.419 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@H](O)CNc2cccc(O)c2)C1 2119184 NIESREDNVAQROX-RVKKMQEKSA-N 355.438 1.446 0 40 FDAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32070898 IQYZKFLASSRVHF-AWEZNQCLSA-N 355.391 1.010 0 40 FDAB CC[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4966879 LVCQHPQDQLLXNP-HNNXBMFYSA-N 358.394 1.663 0 40 FDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCO2 6439046 PWMJZNWXMPEUBS-ZDUSSCGKSA-N 371.349 1.186 0 40 FDAB CCn1nc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 6886874 FLAZBEFEOUHUJH-ZDUSSCGKSA-N 365.389 1.986 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H]1CSC[C@H]1O 54360899 SNUHTYWYVCGUSW-LMEWBDQLSA-N 364.448 1.315 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC[C@@H]1C 16484615 DPAUDFIXTMDZIC-ZDUSSCGKSA-N 369.487 1.758 0 40 FDAB CCn1c(S)nc2cc(C(=O)NCCC(=O)OC(C)C)ccc2c1=O 102409123 GWTXWBGZWCXNSD-UHFFFAOYSA-N 363.439 1.777 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2cnn(C)c2C)N2CCOCC2)cc1 29931365 QUJPGJAEOZGJLX-GOSISDBHSA-N 358.442 1.540 0 40 FDAB CCN1CCN(Cn2nc(-c3ccncc3)n(CCOC)c2=S)CC1 22037058 LALWJLUVBMQPSR-UHFFFAOYSA-N 362.503 1.717 0 40 FDAB C[C@@H]1CCCN(Cc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)C1 46934502 OESHYVSHWJIJMS-CQSZACIVSA-N 356.426 1.407 0 40 FDAB CNC[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cnccn3)n(C)n2)CC1 100687670 OJDQCBNFSIVMIF-GASCZTMLSA-N 356.474 1.976 0 40 FDAB O=C1[C@H]2[C@H]3[C@H]4[C@H]5[C@@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@]14Br 103646605 GABJUTVSUROVBC-WMGVVEJNSA-N 362.017 1.331 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)n1 54120766 HOPHJFLMUUJEBY-CQSZACIVSA-N 353.386 1.302 0 40 FDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24688356 JLSGTJDRYILORI-GXTWGEPZSA-N 358.435 1.523 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 55348747 DODIIEPEUZNGAU-NVXWUHKLSA-N 367.453 1.514 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)c(C)c1 3281680 WUJZYEQPIDWVAJ-UHFFFAOYSA-N 368.455 1.310 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1O 3295511 CRPAAEVZJLGPQE-UHFFFAOYSA-N 358.350 1.127 0 40 FDAB Cc1nc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)sc1C 25756432 JBDWYOUVMXVZHE-UHFFFAOYSA-N 358.431 1.448 0 40 FDAB C[C@@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccc(F)cc1 35310650 MEPVYPSPSQCJMH-FZKQIMNGSA-N 355.413 1.915 0 40 FDAB Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 12695520 VPWGZLYSWBBQTG-CQSZACIVSA-N 365.455 1.106 0 40 FDAB CCN(CC)[C@@H](C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 58210814 AQESWRPMAMQNKB-KBPBESRZSA-N 373.544 1.748 0 40 FDAB C[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 58200964 VNIHUGNVPHGADV-NSHDSACASA-N 355.232 1.355 0 40 FDAB COCCCN[C@H](C(=O)O)c1cn(CC(=O)O)c2ccc(OC)cc12 36354382 KBXFEGONMPQCAM-INIZCTEOSA-N 350.371 1.486 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H](C)n2cccn2)c1C 28483626 SDQMKWRLYHWOIO-CYBMUJFWSA-N 350.444 1.950 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ccccc21 12902813 CKMILPBDWODNQK-INIZCTEOSA-N 369.446 1.919 0 40 FDAB CC(C)N(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)C(C)C 13038886 GGEKRUVJGYAHBD-LJQANCHMSA-N 359.426 1.862 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 13096343 FBEHRKFCWYBTEU-UHFFFAOYSA-N 364.423 1.324 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccn2)cc1C 38556522 XSUNBSQZUHLDCH-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c1 14161433 ITNKCJRXILKTDP-NSHDSACASA-N 361.398 1.959 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O 6678102 HEUSHMMDAWYGHW-UHFFFAOYSA-N 367.405 1.838 0 40 FDAB COC(=O)Cc1c(C)c2ccc(OCC(=O)NC3CC3)c(C)c2oc1=O 4747528 ZYGRTZBFSYODTP-UHFFFAOYSA-N 359.378 1.783 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccnnc1)C2 306123855 AYNPQWHXVQCFST-AWEZNQCLSA-N 371.416 1.626 0 40 FDAB Cc1nc(C)c(CCC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c(=O)[nH]1 78683882 AQHPVXWGORURGV-HNNXBMFYSA-N 351.353 1.447 0 40 FDAB CCCCS(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 96000388 VFRQHVYPUYAFOG-GFCCVEGCSA-N 357.480 1.860 0 40 FDAB COc1ccc(-n2cc(CNC(=O)CCc3nc(C4CC4)no3)nn2)cc1 79070151 IFBXSMFXFYLWJD-UHFFFAOYSA-N 368.397 1.785 0 40 FDAB CN1CCCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)CC1 72325410 PNGQFGPBVVIQBS-CYBMUJFWSA-N 363.414 1.082 0 40 FDAB biogenic CC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 75092270 FRNIHLKGNKMBHH-HOTGVXAUSA-N 358.486 1.911 0 40 FDAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 32330212 DXBFGZJLSJPNMD-HNNXBMFYSA-N 371.368 1.934 0 40 FDAB COCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408577029 YKYXEUADZSXZFK-UHFFFAOYSA-N 357.410 1.209 0 40 FDAB Cn1nc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)ccc1=O 56907360 QWJGQCSGFLQEJK-UHFFFAOYSA-N 366.425 1.679 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O 71288051 PHLDSHOBEHZFLK-QWHCGFSZSA-N 352.412 1.304 0 40 FDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](c2nnc3ccccn23)C1 76397097 BNUQANMFSGUOKZ-OWCLPIDISA-N 357.458 1.592 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1cccnc1C(=O)O)c1nc(C2CC2)no1 565477404 FGRQMAUOPXQNCP-LLVKDONJSA-N 366.399 1.716 0 40 FDAB C[C@@H]1CN(C(=O)N=c2nc(Cc3ccc(F)cc3)[nH]o2)CC[S@@](=O)C1 563103166 KWRLGXIKHHVJNW-SSINHNECSA-N 366.418 1.454 0 40 FDAB CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc2ccccc12 44791611 RWNZHGOZVAFKLF-OAHLLOKOSA-N 362.451 1.901 0 40 FDAB O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCCC2(CCCCC2)CC1 527039561 ZVPNPBAPNOQYNU-HNNXBMFYSA-N 358.504 1.946 0 40 FDAB O=C([C@@H]1CN(Cc2ccsc2)CC12CCOCC2)N1CCOCC1 96052210 KXTXCXOODGWUND-INIZCTEOSA-N 350.484 1.836 0 40 FDAB COc1ccc(CN2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)cc1 96046850 KQAJDLNUACIPAS-UHFFFAOYSA-N 359.470 1.598 0 40 FDAB COc1ccc2nc(CO[C@H]3CN(C(=O)c4cnccn4)C[C@H]3F)[nH]c2c1 96112063 XDTIOJRVYAUXLW-WBMJQRKESA-N 371.372 1.741 0 40 FDAB biogenic,in-vitro C[C@@H]1c2ccccc2CN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 584078362 DGKQMKLHOFOAJS-LLVKDONJSA-N 359.407 1.376 0 40 FDAB Cc1cccc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)n1 247874846 NFCMJPYNXZGQCF-GOSISDBHSA-N 359.470 1.762 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)cn1 257341280 ZJQYDRUEHXRIME-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB CCN1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@@H](C)C3)ncc1CS2(=O)=O 253604319 YLOGBEBLZNAJHA-VHDGCEQUSA-N 350.488 1.429 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257259173 KXEUTRDXSNMUOF-QGZVFWFLSA-N 356.430 1.143 0 40 FDAB COc1cncc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 585094283 APBSWFLKEKLGDP-CQSZACIVSA-N 369.487 1.354 0 40 FDAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C[C@@H](C)OC2=O)n1 257262005 LJQQNZYDCJGZKH-SNVBAGLBSA-N 354.432 1.269 0 40 FDAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 268649810 ORVTWAFDOXDPGZ-KPZWWZAWSA-N 361.446 1.913 0 40 FDAB Nc1ncnc2cc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)ccc12 1632604366 OLJUYOORIUHNFZ-INIZCTEOSA-N 365.368 1.664 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)cc(C(=O)O)c1C 671647932 FXSNQWQZIOZTPR-ZDUSSCGKSA-N 368.455 1.668 0 40 FDAB CCOC1CC(O)(CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 683519811 SYZOTQGSQIPVIF-SHPPYHEDSA-N 360.454 1.703 0 40 FDAB Cc1ccn(C)c1C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2CC2)C1 1775962730 AIPXYGNBHPQQIZ-HZPDHXFCSA-N 369.469 1.449 0 40 FDAB CC(=O)N[C@@H](CCCCNCc1c(C(F)(F)F)cnn1C)C(=O)O 1776204886 GFYYCCBABZLSBO-NSHDSACASA-N 350.341 1.288 0 40 FDAB CN(C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585292047 WJOJAWMWPLXIHM-KURKYZTESA-N 354.878 1.357 0 40 FDAB CCOC(=O)N1CCC(O)(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)CC1 585282316 DKUPKOYDSSBJDS-IAGOWNOFSA-N 367.490 1.445 0 40 FDAB CC(=O)Nc1nc([C@H]2CCCCN2CC(=O)Nc2nonc2C)cs1 585270713 AFDBNKMTZQQGBU-GFCCVEGCSA-N 364.431 1.959 0 40 FDAB CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2nn3c(c2C)OCCC3)cn1 685941549 FBMGVHLFGFXAAX-LSDHHAIUSA-N 359.430 1.920 0 40 FDAB Cc1noc([C@H]2CN(C3CN(CC4Cc5ccccc5C4)C3)CCO2)n1 685941103 RCIMFZLPRYXHLB-LJQANCHMSA-N 354.454 1.851 0 40 FDAB C[C@H](CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)Oc1ccccc1Cl 97045745 XSRUUCGIIWGRDY-PWSUYJOCSA-N 374.846 1.462 0 40 FDAB CCc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 97296311 YFAOKMNZEBXELB-OAHLLOKOSA-N 361.467 1.658 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCc1ccc2c(c1)OCO2 89788201 ZRXADBXZQMXDNP-UHFFFAOYSA-N 369.421 1.559 0 40 FDAB CCn1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1615158462 MIQPYNXPYRHDNV-UHFFFAOYSA-N 368.437 1.941 0 40 FDAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 11582389 UXEDYYWVDVLBNH-KKOKHZNYSA-N 355.460 1.943 0 40 FDAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)CC)c3=O)cc1 12234019 JSVSCJQZRYAAQG-GFCCVEGCSA-N 357.414 1.717 0 40 FDAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N3CCOCC3)cnc12 12534407 AHSVWBBEIRTYJQ-UHFFFAOYSA-N 358.423 1.482 0 40 FDAB COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 14291797 XJBQXGDRIDDUGZ-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCc1ccc2ccccc2n1 515541995 VWSACWSSLQNFQA-QGZVFWFLSA-N 368.437 1.021 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@H](N4CCOC4=O)C3)c2O1 618257663 ZNXXXDSYNRMHNF-AWEZNQCLSA-N 360.410 1.832 0 40 FDAB C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCO1 332961647 LLKMVFNXZMPQCF-AVGNSLFASA-N 356.448 1.322 0 40 FDAB O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@H](N2CCCC2)CC1 654638981 MMHWNGNIPJOLNW-GJZGRUSLSA-N 362.478 1.816 0 40 FDAB O=S(=O)(NCC1(OCCO)CCSCC1)c1ccc(Cl)s1 828765509 ZSYNNFIWPHRHMV-UHFFFAOYSA-N 371.933 1.955 0 40 FDAB Cc1cc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n2nc(C)cc2n1 1888888389 OEKHHOZDQBPJER-HOTGVXAUSA-N 361.405 1.972 0 40 FDAB O=C(Cn1cccnc1=O)NCc1cccc(NC(=O)c2ccco2)c1 25150900 HJAGLCPCRCJLOX-UHFFFAOYSA-N 352.350 1.405 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(C[C@H]3CCCO3)CC2)s1 33028383 PPPOXBVDCFDZKT-CQSZACIVSA-N 351.472 1.110 0 40 FDAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226280 OKSLWSCFTICJMT-IEBWSBKVSA-N 374.416 1.225 0 40 FDAB COCCN1CC[C@]2(CCCN(C(=O)c3cc(F)ncc3F)CC2)C1=O 1614936642 FLDNHLGCXIPGCT-GOSISDBHSA-N 367.396 1.851 0 40 FDAB O=C(NCCS(=O)(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 4941064 PTWIGKTVXPVKQG-UHFFFAOYSA-N 354.428 1.397 0 40 FDAB Cc1nnc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)s1 5398501 AMPSBLGMWCDZIJ-UHFFFAOYSA-N 371.378 1.438 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccc(OC)c2)CC1 2055713252 NMNVDXNJWMIXAG-UHFFFAOYSA-N 372.469 1.646 0 40 FDAB O=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1 2961213 PMGMHDGOKGOPIA-UHFFFAOYSA-N 372.425 1.597 0 40 FDAB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(=O)cccc-3[nH]c2-1 100240715 ZNTSSYJZVXCQGE-FQEVSTJZSA-N 364.357 1.325 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2ccccc2)o1 40088796 FYXIIDJODRZGEW-UHFFFAOYSA-N 352.412 1.477 0 40 FDAB COc1ccccc1NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 40150516 YCQUKHGRTFRMOL-UHFFFAOYSA-N 356.382 1.232 0 40 FDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)NCc3ccccc3)co2)CC1 40288227 QIJRNFZKUORFKL-UHFFFAOYSA-N 370.405 1.500 0 40 FDAB Cc1ccc(CN(C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 11210283 SZVOXCKSKYNMCI-GOSISDBHSA-N 353.422 1.706 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)C1 4895370 PXZFTQIYTKXVSW-ROUUACIJSA-N 364.534 1.121 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 20928584 RFRSPKMNEIMOGB-ZDUSSCGKSA-N 364.405 1.700 0 40 FDAB O=C(Nc1nncs1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 21215464 JPRGSQRTUZFFSW-LLVKDONJSA-N 368.440 1.248 0 40 FDAB O=C1COc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2N1 21438137 QDDMLOZEAHBSSQ-UHFFFAOYSA-N 354.366 1.501 0 40 FDAB Nn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 11519822 GTCFIRBFGQRZSU-UHFFFAOYSA-N 358.398 1.658 0 40 FDAB Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O 11693095 XRDXNWRBRAGKPF-UHFFFAOYSA-N 363.780 1.246 0 40 FDAB CSc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 32909595 PPAWLQVFNJPDOA-NWDGAFQWSA-N 368.480 1.065 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCSc2ccccc2)CC1 52804986 KUPASLOOEYGBMF-OAHLLOKOSA-N 364.515 1.631 0 40 FDAB COCCCNC(=O)CN(C)CCCc1nc(-c2cccs2)no1 53142242 GTHJHHMRYAQYEI-UHFFFAOYSA-N 352.460 1.815 0 40 FDAB Cc1ccc(C(=O)N2CCN(C(=O)CSc3nnc(N)s3)C2)cc1 2733646 HGCUTIBLCHGPFE-UHFFFAOYSA-N 363.468 1.463 0 40 FDAB O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(Cl)cc1 2704761 FCMVPZMNHMQYKN-ZROIWOOFSA-N 371.805 1.896 0 40 FDAB Cc1c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)oc2ccccc12 24115729 WUKZILWTGCAIJJ-AWEZNQCLSA-N 362.451 1.686 0 40 FDAB COc1ccc(-n2cnn(CN3CCN(C(=O)C4CC4)CC3)c2=S)cc1 12534149 IBBFEPOIHUXCHH-UHFFFAOYSA-N 373.482 1.924 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 24748135 AISKICUFSCTMBT-ZDUSSCGKSA-N 353.378 1.786 0 40 FDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cc(C)cnc12 24988301 WFRMBGILSKNRKQ-AWEZNQCLSA-N 368.480 1.741 0 40 FDAB O=C(c1cc2cccnc2n1S(=O)(=O)c1ccccc1)N1CCOCC1 1406780 RIILNBUWDZRZRN-UHFFFAOYSA-N 371.418 1.746 0 40 FDAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)c3ccccc3CS2(=O)=O)CCC[C@H]1C 106758954 AHYKESFVVARNCQ-WWGRRREGSA-N 364.467 1.913 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 56099998 LSZGTHVVYAVHEV-CQSZACIVSA-N 362.455 1.823 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N(C)C)c1 25777573 DQXKHXYTSTTWQR-CQSZACIVSA-N 367.496 1.689 0 40 FDAB C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 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352.460 1.815 0 40 FDAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N=C(O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 5100381 ISAKRASHNOEHJJ-QZKOUSHUSA-N 355.350 1.224 0 40 FDAB COc1cc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1OC 6287579 AWDJLZYUIOTQBN-UHFFFAOYSA-N 369.381 1.869 0 40 FDAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 65269259 OGYQALJDBPEUQX-AWEZNQCLSA-N 354.472 1.476 0 40 FDAB CN(C)S(=O)(=O)Oc1cc2oc(=O)sc2cc1Br 4601992 NSCYVFRTJWOUJX-UHFFFAOYSA-N 354.203 1.802 0 40 FDAB O=C1OC2(CCCC2)OC(=O)C1CC1C(=O)OC2(CCCC2)OC1=O 4602483 YGONRVJOVUHFNX-UHFFFAOYSA-N 352.339 1.350 0 40 FDAB Cc1ccc(NC(=O)COCC(=O)NCc2ccc3c(c2)OCO3)cc1 4680293 VMQXJFDURWAVPF-UHFFFAOYSA-N 356.378 1.995 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4731927 ACCCDVODAGKDFS-GFCCVEGCSA-N 353.378 1.786 0 40 FDAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843739 XRSFDRMZKXUBTI-QGZVFWFLSA-N 360.439 1.907 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2)n1 8711354 MLECJNOEAQBEOF-OAHLLOKOSA-N 357.410 1.893 0 40 FDAB CCOC(=O)C1=C(CSc2nnc(-c3ccco3)o2)NC(=O)N[C@H]1C 7737862 PWTMJRMCOBWXQV-QMMMGPOBSA-N 364.383 1.940 0 40 FDAB COc1ccccc1N(CCC(N)=O)C(=O)[C@H]1COc2ccccc2O1 8755919 QBQULMHXHJATRL-QGZVFWFLSA-N 356.378 1.744 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CSCC(=O)N3CCOCC3)n2)cc1 7851841 IOLDRAOHGIRFGI-UHFFFAOYSA-N 374.470 1.598 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1 9061692 CGRIBNLWERYLOK-UHFFFAOYSA-N 363.420 1.349 0 40 FDAB COc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccn2)CC1 71282765 OATLFFXDGHTATM-SFHVURJKSA-N 357.454 1.648 0 40 FDAB O=C(COC(=O)c1cccc(-n2cnnn2)c1)NCc1ccc(F)cc1 9218304 NXZOIHNRFRFHMD-UHFFFAOYSA-N 355.329 1.275 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)N[C@@H](C)C(=O)O)cc2)no1 20533563 GHLMVTSBBIWJDC-VIFPVBQESA-N 368.371 1.378 0 40 FDAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cccn2C)cc1 75155099 RWWWSJWFHYTWKU-QGZVFWFLSA-N 364.467 1.600 0 40 FDAB CCN(CC)C(=O)CSc1nnc(-c2nonc2NC(C)=O)n1CC 9877567 HWIJUDURLQFUST-UHFFFAOYSA-N 367.435 1.267 0 40 FDAB CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)[C@@H](CN)C1 97019734 UBDDJEVTLRZMQN-HNNXBMFYSA-N 357.458 1.160 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(C)CCOCC2)c1 95409527 PPUBPAYELWJQCT-UHFFFAOYSA-N 354.472 1.840 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCN1CCC[C@@H](N2CCCC2)C1 77315334 CPBULQSJOIHUDF-CYBMUJFWSA-N 350.488 1.736 0 40 FDAB O=S(=O)(Nc1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 95950220 OUWVCPFXIACLKW-UHFFFAOYSA-N 367.452 1.667 0 40 FDAB COc1ccc([C@H](CC(=O)NCCCO)c2oc(C)cc(=O)c2O)cc1 1547138845 URSXHDGJQQICNN-HNNXBMFYSA-N 361.394 1.683 0 40 FDAB biogenic c1cc(CO[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)ccn1 306132300 LEKVQWCDMHJOBW-HNNXBMFYSA-N 352.398 1.474 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306137663 RCPUDLCEBOXQFU-OAHLLOKOSA-N 359.455 1.471 0 40 FDAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)c1cnccn1 306123412 AMGRPAWTLPWAFX-OAHLLOKOSA-N 356.430 1.029 0 40 FDAB Cc1cccc(COCC[C@@H]2CCOC23CN(C(=O)c2cn(C)cn2)C3)n1 306133473 MMKLXDDXTJDFPJ-MRXNPFEDSA-N 370.453 1.962 0 40 FDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)NC1CCC1 72325894 IUDAZIHZZXXELD-LJQANCHMSA-N 356.426 1.219 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cc1C 38556516 HFLQNERXCHITRP-GFCCVEGCSA-N 352.412 1.580 0 40 FDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cccc(-n2cccn2)c1 225802265 HZRXWRULQYATHP-UHFFFAOYSA-N 362.349 1.541 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1CCCCCC1 80337631 YXQOWLVPQMOGRF-OAHLLOKOSA-N 374.489 1.536 0 40 FDAB CNC(=O)c1cn(-c2ccc(SCC(=O)NCc3ccco3)nn2)cn1 49401244 UGWUGWOKLJFJRD-UHFFFAOYSA-N 372.410 1.023 0 40 FDAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 44631146 OAOBINSICLZUMO-LBPRGKRZSA-N 354.428 1.392 0 40 FDAB CC(C)N1C[C@H](C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)CC1=O 59748697 WWNREKUDSNOYPR-CQSZACIVSA-N 364.467 1.626 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCOC3=O)c2)cc1 47228362 PWFPMCOWTQOPMR-UHFFFAOYSA-N 374.418 1.977 0 40 FDAB Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)on1 77122637 ZHEDFJMTBOGTKA-UHFFFAOYSA-N 363.439 1.740 0 40 FDAB Cn1nnnc1COc1ccc(CC(=O)NCCc2ccccc2)cc1 96191964 ITNPLDLRCXFBAZ-UHFFFAOYSA-N 351.410 1.691 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c(CC(=O)O)c1 575985738 ZYKICZIMGQBTEJ-JQAFLVLXSA-N 371.455 1.660 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)cn1 96216334 MWNFBAUOLGHXOL-HKUYNNGSSA-N 356.426 1.796 0 40 FDAB CCS(=O)(=O)N1CC2(C[C@@H](COCc3ccccn3)CCN2C)C1 248135783 OKWRYVNFBDGTKT-HNNXBMFYSA-N 353.488 1.344 0 40 FDAB CC(C)Oc1ccc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cc1 257271602 MYZJHOGYHILBNA-LJQANCHMSA-N 356.426 1.635 0 40 FDAB Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257214022 CKEVMLHLCHAEDI-ZDUSSCGKSA-N 357.439 1.826 0 40 FDAB CC(C)N1CC[C@@H](CNC(=O)c2nnn(C3CCNCC3)c2C(F)F)C1 638078829 OBOGZZASLKMUKP-LBPRGKRZSA-N 370.448 1.600 0 40 FDAB CC(=O)N1CC[C@@](N)(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 643722053 SJMGAAQGDMEHBZ-KRWDZBQOSA-N 361.833 1.473 0 40 FDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1CCc2ccccc2O1 390828591 BHXCMINGLGLQGJ-HOCLYGCPSA-N 364.409 1.213 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2ccncc2)C1 585095739 GXQNQVMQNFTSPN-ZTFGCOKTSA-N 367.453 1.566 0 40 FDAB Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3cocn3)CC2)cc1 585138575 GCKFHGLIJVZIAQ-UHFFFAOYSA-N 369.468 1.656 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109253 FHYBQUWGIFQFMF-KZNAEPCWSA-N 351.406 1.628 0 40 FDAB CO[C@@H]1CCN(Cc2nc(C(=O)N3CCn4c(nc(C)c4C)C3)co2)C1 685942715 UKGOHRWBOOZTFT-CQSZACIVSA-N 359.430 1.365 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(CC(=O)O)cc1 680809064 ZDTWTDGVDIJNML-UHFFFAOYSA-N 351.428 1.973 0 40 FDAB O=C(CNc1ccccc1N1CCC(O)CC1)NC(=O)NCC(F)(F)F 55887897 OYPUKJQRLSMGGJ-UHFFFAOYSA-N 374.363 1.448 0 40 FDAB Cc1nn(CN(CC(=O)N(C)C)CC(F)(F)F)c(=O)c2ccccc12 54493069 ZVUBJBQKMDPNSB-UHFFFAOYSA-N 356.348 1.615 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1NS(C)(=O)=O 56885355 RRMQMUROSNZVGZ-GFCCVEGCSA-N 370.475 1.162 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1cccnc1 1549159246 RTTUNOFLHJPKCJ-IPMKNSEASA-N 351.410 1.258 0 40 FDAB Cn1c(=O)cc(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)[nH]c1=O 12228700 ADOBJBCSXWJTTD-CYBMUJFWSA-N 356.407 1.244 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 12893245 BWKIEMWIVKCKOU-MCNSXXNHSA-N 370.405 1.222 0 40 FDAB CC[C@@H](C(=O)N1CCN(c2ncnc3c2nnn3C)CC1)c1ccccc1 13532723 LWCTZUFJWFWOLF-OAHLLOKOSA-N 365.441 1.601 0 40 FDAB O=C(NCCN1CCOCC1)Nc1c[nH]c2c(Cl)cccc2c1=O 13565985 YVCITLOWWCZXIG-UHFFFAOYSA-N 350.806 1.635 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(Cc3cccnc3)C2)c2cccnc21 19021864 OCNNYPONGOLFCV-KRWDZBQOSA-N 364.453 1.952 0 40 FDAB CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2C[C@H]2CCCO2)CC1 19527993 TYKWMTXENHUXOC-RTBURBONSA-N 370.501 1.887 0 40 FDAB Cc1ccsc1CCC(=O)N1CCC(N2C(=O)COCC2=O)CC1 675007910 CNOCZPSIVLIUAD-UHFFFAOYSA-N 350.440 1.366 0 40 FDAB CCOC(=O)Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19530574 AZCSZXGPDHYNRO-RYQLBKOJSA-N 371.481 1.844 0 40 FDAB COc1nc(N2CCC[C@H](NC(=O)C3CC3)C2)ncc1Br 1888850119 RGKXFQOUPBWABK-JTQLQIEISA-N 355.236 1.743 0 40 FDAB O=C1[C@H]2CN(c3cc(=O)n4ccccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888910611 CCUFBMYRIAUSLD-HOTGVXAUSA-N 374.400 1.316 0 40 FDAB O=C([C@H]1CN(c2nc3c(F)cc(F)cc3s2)CCO1)N1CCOCC1 1889136249 MCLZQSHCFGQTDY-GFCCVEGCSA-N 369.393 1.639 0 40 FDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCn2c1nc1ccccc12 29374311 JZUBQLIKOWMQIZ-STQMWFEESA-N 350.378 1.334 0 40 FDAB CN(C(=O)[C@@H]1CCOC1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1776007917 MBUXGVRTSHIEDB-CQSZACIVSA-N 356.401 1.966 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1ccccc1F)CCO2 2037984475 CBUUIECDHCJTJO-SFHVURJKSA-N 350.390 1.304 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCCn2nnc(Cn3cccn3)c2C1 1565541723 QLUFHRXVWMOROV-UHFFFAOYSA-N 353.386 1.434 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)c1C 1565549075 PBGGEDOFJPVXBE-HRCADAONSA-N 374.441 1.267 0 40 FDAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1 2055704318 JATQMDOILCSAEQ-INIZCTEOSA-N 364.409 1.195 0 40 FDAB COc1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccn2)CCO3)on1 2055793354 SKGNFUPLJYJKQV-IBGZPJMESA-N 372.425 1.980 0 40 FDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1cnc2ccccc2n1 575414493 IODHMNFQUNCHJR-GFCCVEGCSA-N 360.381 1.076 0 40 FDAB COc1cccc(OCCNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 40070929 MJQCNWVZCOHAIC-HOTGVXAUSA-N 360.410 1.365 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCCc1ccc2c(c1)OCCO2 40119988 NJSNQTRWYGDFEL-UHFFFAOYSA-N 367.467 1.864 0 40 FDAB COC(=O)c1oc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1C 40153654 BAYLXGQUILVEFG-ZDUSSCGKSA-N 358.460 1.668 0 40 FDAB Cc1nn(CC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(=O)c2ccccc12 31295338 YOXTZBKUWGNZPG-QGZVFWFLSA-N 373.359 1.833 0 40 FDAB Cc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n(C)n1 36619174 PIHSFEJRORZEBH-UHFFFAOYSA-N 365.372 1.902 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)nc1 29096624 UMNGMXKHJLCXCB-SFHVURJKSA-N 369.421 1.672 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1F 31724730 FZIQCWUMBRFWDT-UHFFFAOYSA-N 362.405 1.880 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccn(CCc2ccccn2)n1 51417800 AQPMLBGIKPDPMI-UHFFFAOYSA-N 374.404 1.869 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(c2cnccn2)C1 29756229 IIXYWMLQRJVWAI-GJZGRUSLSA-N 354.410 1.649 0 40 FDAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10295646 LKPWXNWDKSQCBC-MRXNPFEDSA-N 374.364 1.934 0 40 FDAB CCCCn1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O 8392249 XFFLNFFEAFXBRD-UHFFFAOYSA-N 356.426 1.534 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 11916570 CTLDYIYWRANEKR-LJQANCHMSA-N 370.409 1.472 0 40 FDAB Cc1cccc(N2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)c1 21965786 MNDLWHKLXRXFFF-UHFFFAOYSA-N 372.469 1.754 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4c(C)nn(C)c4C)[C@H]3C2=O)cc1 102933897 XXBLANDARMXRSN-NVXWUHKLSA-N 366.377 1.532 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 81088434 XHMWOKIKLJYCPO-KRWDZBQOSA-N 355.438 1.846 0 40 FDAB CCOc1ccc(CNC(=S)NNC(N)=S)cc1Br 813287 SADXJUXGXCYFKI-UHFFFAOYSA-N 363.306 1.560 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccc(Cl)cc2)n1 102015383 LNQCOWBRLPLHHH-XUXIUFHCSA-N 358.785 1.647 0 40 FDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O 100499201 AOHXYGWTUDVKKW-OLZOCXBDSA-N 362.382 1.081 0 40 FDAB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 23073533 DFDOXTZXDUKGJY-UHFFFAOYSA-N 365.393 1.987 0 40 FDAB C[C@@H]1[C@@H](NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)CCC[C@H]1C 110543270 CSTHWQRVKRQYAP-KEYYUXOJSA-N 367.515 1.407 0 40 FDAB CC(=O)c1ccc(N2CCN(CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 16347082 QJJMQSDKZDBJBY-UHFFFAOYSA-N 370.453 1.833 0 40 FDAB COc1ncccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 55617962 FRUUVYGBROJCJP-UHFFFAOYSA-N 350.400 1.455 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)[C@@H](C)NC(=O)COc2ccccc2)cc1 25553963 WWDOAHYRQRBAAX-CQSZACIVSA-N 369.421 1.845 0 40 FDAB Cc1cc(N)nc(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 10350907 INXKZXQSLHVXDD-UHFFFAOYSA-N 352.441 1.502 0 40 FDAB CCCCn1c(N)c(N(C)CC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O 10432007 YPLGYQQBXKODMQ-UHFFFAOYSA-N 359.430 1.302 0 40 FDAB Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1 2201777 DQYAOMHQRZLZTB-UHFFFAOYSA-N 355.398 1.003 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 10551654 RDZGWFZXRYZQIN-UHFFFAOYSA-N 368.418 1.788 0 40 FDAB C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1 12792218 SEMGKTAPKJMPKI-KCJUWKMLSA-N 353.762 1.198 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13145447 DCTNHIWUTRPLND-STQMWFEESA-N 374.393 1.352 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(O)cc1 4008620 DBLPGZGDTKTZTB-MKSNKDDYSA-N 364.394 1.558 0 40 FDAB CNC(=S)N1CCC(n2nnc(-c3ccc(OC)c(OC)c3)n2)CC1 4477330 MZEPABALKYHDCF-UHFFFAOYSA-N 362.459 1.499 0 40 FDAB COCCNC(=O)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 14076070 RKQMVVIIONHVOS-UHFFFAOYSA-N 356.378 1.769 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CCn2c(=O)oc3ccccc32)CC1 8678604 BIYGJAAHJPUHNM-UHFFFAOYSA-N 361.398 1.722 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 4815904 XFHBHGXCXKTUOF-VIFPVBQESA-N 350.375 1.815 0 40 FDAB C[C@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC1CC1 7254472 UEEHZLWWZZWICN-VIFPVBQESA-N 369.468 1.837 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCOc1ccc(Br)cc1 8945076 FFFONPNLRYVXGI-NSHDSACASA-N 372.263 1.994 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)c1ccccc1 306141781 WGHBSCSNYPQUMW-OXQOHEQNSA-N 365.437 1.782 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1 22230028 GOKNXVCKKHYKPM-HNNXBMFYSA-N 352.456 1.779 0 40 FDAB O=S(=O)(NC1CCCC1)C1CN(c2ccc(C(F)(F)F)nn2)C1 96005027 SMKBAVJYBATCKB-UHFFFAOYSA-N 350.366 1.546 0 40 FDAB COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)c(OC)c1 9305699 LBYBLTUUWUDSSP-CQSZACIVSA-N 362.382 1.132 0 40 FDAB NC(=O)C1(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)CCCC1 72286115 RHHBWYSUAJWIHY-UHFFFAOYSA-N 361.486 1.481 0 40 FDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccn2)n1 76588198 LWNNUQWXEITFGM-KRWDZBQOSA-N 370.501 1.755 0 40 FDAB NC(=O)c1cnc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)cn1 95941113 HDFDHBFCVAHGNU-UHFFFAOYSA-N 359.817 1.120 0 40 FDAB O=C(NC1CCN(C2CC2)CC1)c1ccc2c(=O)n3c(nc2c1)CCC3 9962077 HQUNKIJRFXKXED-UHFFFAOYSA-N 352.438 1.699 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1CCCN2CCCC[C@H]12 79193877 RXHGUMQUPZJMBG-DOTOQJQBSA-N 370.453 1.884 0 40 FDAB biogenic CC(C)n1nccc1NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 79480703 GYMVPYBAQAGKQO-AWEZNQCLSA-N 355.398 1.933 0 40 FDAB CC(=O)N1CCN(C(=O)Cc2c(C)nc3c4ccccc4nn3c2C)CC1 79482523 QLOXCCGOHWKCNM-UHFFFAOYSA-N 365.437 1.733 0 40 FDAB CCCNC(=O)CN1CCC(NC(=O)c2ncsc2C(C)C)CC1 554965033 DRSLLFLNAFXOEX-UHFFFAOYSA-N 352.504 1.987 0 40 FDAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3ccsc3)C1)C2 306126199 DPIFYXGRPRJZRT-GOSISDBHSA-N 374.466 1.051 0 40 FDAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 30861195 ZHQVAJFBOFLPLD-UHFFFAOYSA-N 367.515 1.215 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@H]1COc2ccccc2O1 135771214 HNOGNYLWCGLTAE-SOUVJXGZSA-N 370.405 1.284 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CCc2ccccc2)s1 224409170 DIUJTNLWVBZDCB-SNVBAGLBSA-N 354.457 1.796 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225503022 IMXUQQFRVULFJW-ZDUSSCGKSA-N 357.414 1.630 0 40 FDAB CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC 135891473 SUJCDMBYNNJRJV-RHSMWYFYSA-N 361.490 1.378 0 40 FDAB O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1COc2ccccc2O1 43977160 KIWQWZILJITWSB-QGZVFWFLSA-N 354.410 1.649 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccccc1F 222758268 NCPGNSCWZHMWOL-UHFFFAOYSA-N 364.442 1.946 0 40 FDAB Cc1nn2c(nnc3c(=O)n(NC(N)=S)ccc32)c1-c1ccc(F)cc1 40392029 ZOOJZHHGJYGLPL-UHFFFAOYSA-N 369.385 1.341 0 40 FDAB O=C(O)c1ccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cc1 85436177 FIDWLTYZJSLDCI-GOSISDBHSA-N 366.421 1.902 0 40 FDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223290 IFVQMRKVDRINEY-SWLSCSKDSA-N 356.423 1.143 0 40 FDAB COCCNc1ccnc([C@H]2COCCN2Cc2cccnc2OC)n1 96216466 WQFKZGCBXBGMJN-OAHLLOKOSA-N 359.430 1.512 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)cn1 96237745 XJKLORZSPSPFNC-NRFANRHFSA-N 364.449 1.953 0 40 FDAB Cc1csc(CN2CC[C@H]3[C@H](CC(=O)N4CCCO4)OC[C@H]3C2)n1 96209856 GMZWYEVNEQMPBU-KFWWJZLASA-N 351.472 1.842 0 40 FDAB C[C@@H]1CN(S(=O)(=O)C2CC2)CC[C@@]12CC[C@@H](C(=O)N1CCCC1)O2 96087388 AKQOZVKNUIURLE-KMFMINBZSA-N 356.488 1.361 0 40 FDAB Cn1ccnc1C(=O)NCC[C@H]1CCOC12CN(Cc1ccccn1)C2 248144346 RIHSOOVGVNNQTJ-HNNXBMFYSA-N 355.442 1.226 0 40 FDAB O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCCN(c2cccnn2)CC1 608026491 QKSGMTVSBRVBNT-UHFFFAOYSA-N 372.372 1.795 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)n1 257316605 VGGSPQNVAZAIFF-INIZCTEOSA-N 355.442 1.419 0 40 FDAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257343801 ZUMDJPAOAQTBLE-HNNXBMFYSA-N 364.475 1.612 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257211611 BZNGHLJZSHRMFI-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@](C)(c3nc(C)c4c(n3)N(C)C(=O)C4)C2)no1 257283160 OWYAKPMDBQSKSC-LJQANCHMSA-N 369.425 1.794 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)ccn1 257225965 FIPUFRHPPLHEJN-AWEZNQCLSA-N 357.370 1.058 0 40 FDAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)c1F 253473114 RKWFYPCGUCRHPP-LLVKDONJSA-N 352.391 1.415 0 40 FDAB CN(C)c1cccc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257246018 ISBOMQNGQZSIJA-MRXNPFEDSA-N 352.398 1.633 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cn1C 269334127 CYCWHNWPUHYXNQ-DJIMGWMZSA-N 359.451 1.391 0 40 FDAB Cn1nc(C(=O)NC[C@@H](Cc2cccc(F)c2)n2cccc2)ccc1=O 85467828 UJFGTBGNJOFKLD-MRXNPFEDSA-N 354.385 1.935 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1COCCN1CC(F)(F)F 282938709 KAAFXAVTSVJNIK-CHWSQXEVSA-N 374.359 1.548 0 40 FDAB Cc1nccc([C@@H]2CCCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 613508304 AVAZWOASSLNHGA-QGZVFWFLSA-N 371.485 1.045 0 40 FDAB C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@@H]1C(=O)NCC(N)=O 623763777 OOURIOMFUZGTLB-WIYYLYMNSA-N 351.450 1.678 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)[C@@H]1OCCO[C@@H]1c1ccccc1 667123674 NFOATOAGWQTZMN-QZTJIDSGSA-N 365.393 1.435 0 40 FDAB Brc1cnc(OC[C@H]2CCCN(Cc3ncon3)C2)nc1 1775995612 BJTMZAURUGJUCZ-JTQLQIEISA-N 354.208 1.913 0 40 FDAB COc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cc(C)cn2)cc2c1OCCO2 1775959819 ZTBDWYCDVIAOMX-WOSRLPQWSA-N 359.382 1.076 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/CN(C)C)CC2)C[C@H](O)C1(C)C 585289223 GFFYSQQOICCMGV-MOEXGYKKSA-N 351.491 1.105 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]21 585108571 VRITXXOWVAHNIE-BRWVUGGUSA-N 352.394 1.131 0 40 FDAB Cc1cc(OCC(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1C(C)C 54705096 PKJIBTKZWFEIFT-UHFFFAOYSA-N 359.426 1.698 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1=O 643876643 ZWPJAWBDXNAYBV-UONOGXRCSA-N 361.446 1.327 0 40 FDAB Cn1cncc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159208 OUKIUXJAQJKABT-LJQANCHMSA-N 354.410 1.458 0 40 FDAB COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)O[C@@H](C)C(=O)OC 1857793643 PXBVFNFEVOCEID-KGLIPLIRSA-N 351.399 1.776 0 40 FDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)C[C@@H](C)n1ccnc1)CC3 12221610 FPDMTXPUMUFUSZ-CYBMUJFWSA-N 371.466 1.999 0 40 FDAB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14240231 QYOHEIPCGJQCMW-SECBINFHSA-N 370.460 1.021 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2Cc3[nH]cnc3CN2C(=O)NC(C)C)cc1 15676100 RJPHHEQCPWMSAM-KRWDZBQOSA-N 371.441 1.579 0 40 FDAB biogenic,in-vitro O=C(Nc1ccc([C@H](O)CN2CCN(c3ncccn3)CC2)cc1)C1CC1 19403905 NNWWCLVQWIDFDR-GOSISDBHSA-N 367.453 1.681 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406869 VVIVPJDIFGIEBR-YVECIDJPSA-N 373.379 1.983 0 40 FDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCN(c2ccccn2)CC1 19659019 KIRHXJANUBMUHH-QGZVFWFLSA-N 354.458 1.091 0 40 FDAB COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCCCCC3)ccc12 2712362 GTELXCPGMQKPOQ-UHFFFAOYSA-N 372.421 1.956 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)C(C)(C)C)o1 35597107 IKOXPFQKPWAOFL-UHFFFAOYSA-N 352.416 1.247 0 40 FDAB Cc1cc(C(=O)NC[C@@H](C(C)C)N(C)C)cc(S(=O)(=O)N(C)C)c1C 12948824 IJWCZJYAGJJHJQ-INIZCTEOSA-N 369.531 1.870 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cn1 2056225025 UVXGWBZDPZQUFG-IRXDYDNUSA-N 354.410 1.211 0 40 FDAB COc1cnc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)nc1 1614929154 VIXWWPVNZBTWRM-IBGZPJMESA-N 367.409 1.540 0 40 FDAB COc1cccc(CN[C@@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)c1 2055732378 FXNPDMQSCKEVJU-HZPDHXFCSA-N 357.454 1.897 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134233 XSVIIBBACQSODD-UHFFFAOYSA-N 354.439 1.682 0 40 FDAB O=C(CC[C@H]1NC(=O)NC1=O)NCc1cccnc1OCc1ccccc1 40121620 OJALSNJXMITGKK-OAHLLOKOSA-N 368.393 1.265 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1 797063 AFXDOCQLHQIVQL-UHFFFAOYSA-N 354.472 1.868 0 40 FDAB CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31610519 PHFINIZVSLADAH-LSDHHAIUSA-N 372.874 1.553 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4269853 SYRPPKBGHHVDAO-GIPNMCIBSA-N 366.336 1.775 0 40 FDAB O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(Cl)c1 4510569 HJVMDKYGJYBNBO-UHFFFAOYSA-N 350.758 1.522 0 40 FDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 101274382 BMRTWQPYHFORNN-OAHLLOKOSA-N 359.426 1.709 0 40 FDAB COC(=O)/C=c1/s/c(=C/C(=O)Nc2c(Cl)cccc2Cl)[nH]c1=O 101392326 IEQVCLZAXSDIGY-MPEOSAONSA-N 373.217 1.116 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c1ccco1)C(C)C 32774371 UCGJSAOHRIPSIG-WCQYABFASA-N 367.402 1.200 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc2ccccc2c1=O 2664057 MOQAKXMDNUNPOB-UHFFFAOYSA-N 354.366 1.796 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NCCc1nnc2ccccn12 11915402 MVVQDSMJFGHOLS-UHFFFAOYSA-N 362.393 1.188 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1 33028888 KQHGBYQCBVQPFG-MRXNPFEDSA-N 361.419 1.604 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC(C)C)c1 21900280 DRVBAWVZHZMHRL-UHFFFAOYSA-N 356.488 1.903 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)CCn1cnc2ccccc21 71938556 RMETYAALDLZDNU-UHFFFAOYSA-N 352.460 1.214 0 40 FDAB C[C@H](NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 102084284 LZUYCICNJCUOBS-UIAXYZKSSA-N 350.418 1.917 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(c2ncccn2)C1 53526574 RKOYWSQCYABGND-LBPRGKRZSA-N 350.386 1.512 0 40 FDAB Cc1cc(=O)n2nc(CN3CCN(Cc4cccs4)CC3)sc2n1 22792993 VQXAAXZVSROJDJ-UHFFFAOYSA-N 361.496 1.839 0 40 FDAB Cc1cn([C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)c(=O)[nH]c1=O 820565 DWGOTSMHXCYCBW-QMMMGPOBSA-N 356.637 1.876 0 40 FDAB biogenic O=C(N[C@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 23140797 UDOLAAGQPRMWAB-MRXNPFEDSA-N 365.393 1.703 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1COc2ccccc2O1 23158605 NRNIDBVCQNCQPE-LBPRGKRZSA-N 351.362 1.422 0 40 FDAB O=C([C@@H]1CC=CCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 23541346 BMWDGTZAYKKUOH-QAPCUYQASA-N 356.422 1.854 0 40 FDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1 24258867 AJGUYUYFBYXYIF-UHFFFAOYSA-N 360.458 1.364 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(CCN2CCSCC2)cc1 57958275 XNZGTFFNZCSITJ-ZDUSSCGKSA-N 350.488 1.534 0 40 FDAB c1cnn(CCSc2nnc(Cn3nnc(-c4ccsc4)n3)o2)c1 58163752 SMWHJIQUBZCUCR-UHFFFAOYSA-N 360.428 1.822 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58200840 OACUIIXVZPYERD-MRXNPFEDSA-N 351.472 1.894 0 40 FDAB C[C@H](C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 3294135 CCYFBGZWKLMSIT-GFCCVEGCSA-N 358.394 1.663 0 40 FDAB O=S1(=O)CCC(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 58420347 GCPYAEFAOFIJJQ-WDEREUQCSA-N 363.423 1.604 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)C[C@H]1Sc2ccccc2NC1=O 8422641 VDXNIOFMYOHONL-DGCLKSJQSA-N 368.480 1.900 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 58734874 GROCJMRJHRLYFN-CYBMUJFWSA-N 374.393 1.457 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 12732703 BYYSCTYQBBMBPC-UHFFFAOYSA-N 365.389 1.932 0 40 FDAB O=C(CCc1nc(-c2ccncc2)no1)NCCC(=O)Nc1ccccn1 48247956 WXAPBGWLTJHGAQ-UHFFFAOYSA-N 366.381 1.604 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 12874477 WTOMMEWTOPPOEE-HNNXBMFYSA-N 370.471 1.563 0 40 FDAB C[C@H](O)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 96009064 KGUPWCVDXBVPQQ-CABCVRRESA-N 368.499 1.679 0 40 FDAB Cc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)ccc12 4084838 NOYIQQKQLVXMKF-UHFFFAOYSA-N 358.394 1.478 0 40 FDAB biogenic Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N(CCO)CCO)n2)n1 5354340 LQMJWNKZNOXTSL-UHFFFAOYSA-N 353.426 1.737 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2=COCCO2)c1C 7655415 GTJTYOMLXQFQTK-LLVKDONJSA-N 351.355 1.811 0 40 FDAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(N)cc(=O)[nH]1 16045903 GWOXIXAPSABPCS-UHFFFAOYSA-N 356.810 1.895 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NC(=O)NCc1ccccc1 7776302 VBQVRAUQRGTSJU-SNVBAGLBSA-N 361.427 1.413 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1c(=O)[nH]c2ccccc2c1=O 9058896 YGIIBGUHCCDVKE-NSHDSACASA-N 367.361 1.661 0 40 FDAB NC(=O)C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)O 9530620 NGJWZNSGJARQFN-AWEZNQCLSA-N 353.334 1.553 0 40 FDAB COc1ncnc(N(C)C)c1NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C 84012093 FBHYNJLTLFDELX-SNVBAGLBSA-N 361.450 1.654 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 72273178 YGFSHWUYSCYNOJ-NOZJJQNGSA-N 367.393 1.622 0 40 FDAB COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(OC)c(OC)c1 72285143 SWCICRFGEIRWHY-HNNXBMFYSA-N 365.426 1.817 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1c(F)cccc1F 97032300 TYUFBUKXCCMVNN-ZDUSSCGKSA-N 372.397 1.657 0 40 FDAB O=C(CN1CCN(C(=O)CC2CCCCC2)CC1)N[C@H]1CCSC1=O 84543931 SCRKHWBMDXTGBO-HNNXBMFYSA-N 367.515 1.249 0 40 FDAB O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(CCO)CC3)ncc21 20478107 BFFMBZVJSHJNCS-CQSZACIVSA-N 368.437 1.209 0 40 FDAB CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O 79024834 LITDGAVKCDNZGW-LBPRGKRZSA-N 373.306 1.953 0 40 FDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1 77264416 OFBFEQHUKWDFJD-QRVBRYPASA-N 374.412 1.482 0 40 FDAB biogenic,in-vitro Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(Cc2cnn(C)c2)C3)n1 306142769 XJATUNPBIJZARF-MRXNPFEDSA-N 357.458 1.969 0 40 FDAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 72360912 IONHVFIOKMEDLL-OAHLLOKOSA-N 369.473 1.861 0 40 FDAB CCOCc1ccc(C(=O)N2CCn3c(nnc3[C@H]3CCCN3)C2)cc1 72373939 HGYDMWGAODJBOD-MRXNPFEDSA-N 355.442 1.895 0 40 FDAB CN1CCN(C[C@@H](CC(=O)Nc2nc3ccccc3s2)C(=O)O)CC1 72404313 NCUPANJOUVHBLK-GFCCVEGCSA-N 362.455 1.573 0 40 FDAB Cc1ccc(NC(=O)c2cc3n(n2)CCC3)cc1C(=O)N1CCOCC1 560259998 IGUNDGJUCAELSV-UHFFFAOYSA-N 354.410 1.862 0 40 FDAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)C1CCCC1)C2 72345611 KQYKGBDNQSLSMW-KRWDZBQOSA-N 367.453 1.748 0 40 FDAB COCCn1ccc2nc(N3CCN(c4ccccc4)CC3)ncc2c1=O 39383793 GNXUJRBTSLLHGT-UHFFFAOYSA-N 365.437 1.765 0 40 FDAB Cc1csc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)n1 79480531 CVNNTBFINKVZNA-UHFFFAOYSA-N 373.482 1.917 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 44901258 CGORHGOHSSRIQX-SQNIBIBYSA-N 368.481 1.839 0 40 FDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2cc3c(cc2[nH]c1=O)OCO3 85875498 XMKAZBVZIMZZKJ-SNVBAGLBSA-N 371.349 1.689 0 40 FDAB biogenic CO[C@H]1CCN(C(=O)Cc2ccco2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96111075 SZIZOKDSJXMUJO-OTWHNJEPSA-N 355.438 1.965 0 40 FDAB COc1cccc(CN2CC[C@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2=O)c1 96159822 XZDABUUPMWWCAM-OXJNMPFZSA-N 358.438 1.683 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 96036101 CVEPZIQRXPJTGV-IBGZPJMESA-N 359.474 1.166 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1scnc1C)CC2 248058125 UZSDEXJKRYGCIT-ZDUSSCGKSA-N 363.487 1.530 0 40 FDAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]21 247845345 CZAHWBRFBZDOGQ-DAXOMENPSA-N 368.430 1.084 0 40 FDAB O=C(NCC[C@H]1CN(c2ncccn2)Cc2ccnn2C1)c1ccco1 247475174 GWJLZOSWCCKCGA-AWEZNQCLSA-N 352.398 1.723 0 40 FDAB CCCn1nc(-c2nnc3n2C[C@@H](C(=O)OC)CC3)c2ccccc2c1=O 601045851 YUNHKTMLHXWTHL-LBPRGKRZSA-N 367.409 1.800 0 40 FDAB O=C(c1ccno1)N1CCO[C@@H](c2cccc(Nc3nncs3)n2)C1 257269881 MRUNFPGJZAORBC-GFCCVEGCSA-N 358.383 1.878 0 40 FDAB CCc1nnsc1C(=O)NC[C@]1(O)CCN(c2ccc(F)cn2)C1 257318120 VMPFDZBUIBSSKM-OAHLLOKOSA-N 351.407 1.006 0 40 FDAB Cn1nccc1CN1[C@H]2CC[C@H]1c1cnc(N3CCC[C@H](O)C3)nc1C2 257366549 FVVLZLSMWGDHCD-YEWWUXTCSA-N 354.458 1.433 0 40 FDAB Cn1ccc(C(=O)N2CCC(c3nccnc3-c3cncn3C)CC2)n1 257213648 CINAOZRAMDECOY-UHFFFAOYSA-N 351.414 1.630 0 40 FDAB Cc1c[nH]c(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 257277527 NYHHGXVHTBTJNI-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)C2 624080985 DRRNMMRXHZWLLQ-HFTRVMKXSA-N 359.426 1.547 0 40 FDAB CO[C@@H](CS(=O)(=O)Nc1cncnc1-c1ccccc1)[C@H]1CCOC1 656731219 KQMNBYCZSVINEZ-HOCLYGCPSA-N 363.439 1.937 0 40 FDAB CN1CCN([C@H]2CC[C@@H](NC(=O)c3cccc(-n4cccn4)n3)CC2)CC1 680841774 LAJANPGUWHCDFJ-CALCHBBNSA-N 368.485 1.556 0 40 FDAB Cc1nc([C@H]2CN(C)CC23CN(C(=O)CCc2ccccc2C)C3)n[nH]1 1775958170 ILKRGPXSQMZKIN-QGZVFWFLSA-N 353.470 1.912 0 40 FDAB O=C(NCCOc1ccccc1)NCCn1ccnc1-c1ncccn1 96103934 LXZHYZQPLGJNNE-UHFFFAOYSA-N 352.398 1.718 0 40 FDAB CNc1cc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)ccn1 585276259 FIEDYYDLJDUBCN-HXUWFJFHSA-N 355.438 1.878 0 40 FDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1c[nH]c2ccc(OC)cc12 585279806 YZDRCCXKAATFHQ-LJQANCHMSA-N 359.426 1.934 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1F 60370320 GPKKOXZVLKAZGL-UHFFFAOYSA-N 370.427 1.366 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159527 VVYMLJMNDGKFSQ-IBGZPJMESA-N 372.400 1.516 0 40 FDAB Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1 5616372 MJYYBQJGZKQXAP-UHFFFAOYSA-N 361.832 1.370 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 5585853 XZEJVTDKGGDITM-UHFFFAOYSA-N 362.359 1.859 0 40 FDAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)CC[C@@H]1NC(=O)NC1=O 12229451 VKZIBDCRSXEQPY-UONOGXRCSA-N 372.450 1.840 0 40 FDAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1C 12647595 ZLMSEXPSCHJGSE-UHFFFAOYSA-N 369.425 1.048 0 40 FDAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCOC(C)C)Oc2ccccc21 13678125 MPEMGHRUQHXXQG-INIZCTEOSA-N 370.471 1.535 0 40 FDAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14291891 YATYCJPKFVIING-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(Cl)cc3)nn2c1=O 17016094 TZCCCKJYFDXTJT-UHFFFAOYSA-N 361.789 1.707 0 40 FDAB NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 18029940 NONAFFPJNGHMCF-CYBMUJFWSA-N 370.236 1.823 0 40 FDAB COc1cc(C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)ccn1 19584656 AGWSCCWSEDAHSH-UHFFFAOYSA-N 364.409 1.938 0 40 FDAB CN1CCc2nnc([C@@H]3CCCN3C(=O)COc3ccccc3)n2CC1 19706356 SIRCRPMDPSINND-INIZCTEOSA-N 355.442 1.509 0 40 FDAB C[C@H]1CCc2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2C1 10408879 ASUHUNZBSUNIAM-VIFPVBQESA-N 358.427 1.350 0 40 FDAB O=C([C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1)N1CCOCC1 1889128317 ONKOHOZGFZVWHY-HNNXBMFYSA-N 358.360 1.765 0 40 FDAB CNC(=O)CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 4354351 CSLIGQVDAAEJEP-UHFFFAOYSA-N 374.344 1.857 0 40 FDAB Cc1cnn(CCN2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 2086883009 SNRVSTVYIVGHAI-UHFFFAOYSA-N 355.490 1.712 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCC[C@H](CCO)c2ccsc2)CC1 575606446 HCKCNQWISQLUPM-CYBMUJFWSA-N 374.528 1.392 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)c2nccnc21 19370631 OMOVPTBNCLPWGN-MRXNPFEDSA-N 364.453 1.734 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NCCNC(=O)COc1ccccc1 31390911 WLCFNBFZELRVQJ-UHFFFAOYSA-N 358.442 1.951 0 40 FDAB COCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 1381670 DVIHDCNIKYXHRJ-UHFFFAOYSA-N 356.404 1.993 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1 11591623 AKWDBRIMPCGVAD-DJJJIMSYSA-N 357.410 1.475 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(C(=O)c3ccco3)CC2)cc1 33018723 RTMXUZOJZIOMAB-QGZVFWFLSA-N 372.421 1.680 0 40 FDAB C[C@H](OCc1ccccc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 41408073 JBZFZUPDCHZJJO-LPHOPBHVSA-N 364.511 1.916 0 40 FDAB O=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1 28630419 GFAFJSCSPFWAMK-UHFFFAOYSA-N 371.397 1.707 0 40 FDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 24877701 AXBMLMWFCMXUMG-SFHVURJKSA-N 361.398 1.041 0 40 FDAB O=C(NCc1ccccc1)NC1(C(=O)N[C@H]2CCCCNC2=O)CCCC1 47212509 NGYFROXEHKOBSD-INIZCTEOSA-N 372.469 1.584 0 40 FDAB COC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)CC1 2916965 BRKOFJPUZOFUKF-UHFFFAOYSA-N 368.393 1.211 0 40 FDAB O=C(NC[C@@H]1CCCO1)C1CCN(Cn2ncc3ccccc3c2=O)CC1 26661158 JBWWUOHZCLQHHI-KRWDZBQOSA-N 370.453 1.361 0 40 FDAB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 36079406 QJPFBZSKUFGFCC-IBGZPJMESA-N 359.495 1.954 0 40 FDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1 44900488 PTNIGXCNTGJNEU-UHFFFAOYSA-N 353.426 1.548 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 408589484 HZEGBGHHHJECLO-UHFFFAOYSA-N 370.471 1.439 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 28439172 VFHLATJIYOTBBO-CQSZACIVSA-N 368.455 1.578 0 40 FDAB CCc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 8447813 LQOZGQFCLSDUAH-UHFFFAOYSA-N 368.480 1.417 0 40 FDAB Cc1nc(C(=O)Nc2cccc(-n3cnnn3)c2)nn1-c1ccc(F)cc1 12773202 XDQXBQOQCCTWQX-UHFFFAOYSA-N 364.344 1.943 0 40 FDAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3595338 UAQLRTHCHCFCHV-QGZVFWFLSA-N 365.817 1.356 0 40 FDAB COc1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1 49547664 FHQYSATUXYMMIF-UHFFFAOYSA-N 374.393 1.498 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCCc4ccccc43)nc2n1 5021440 MBKBIFPUUXWXDS-UHFFFAOYSA-N 365.393 1.877 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8502033 OZJXBZSKETVTDR-GOSISDBHSA-N 354.414 1.757 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2nc(CC(N)=O)cs2)C1 14095186 XVVGSRNOGNPFKM-JTQLQIEISA-N 368.459 1.757 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2cccc(OC)c2)c1 66683763 DEASVUQEBUELOF-UHFFFAOYSA-N 362.451 1.966 0 40 FDAB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 8363225 QKASPSMYGPPNHE-UHFFFAOYSA-N 359.382 1.663 0 40 FDAB CC[C@H](C)[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)O 6908002 INMSUZVPEUZFLL-NHYWBVRUSA-N 361.398 1.086 0 40 FDAB biogenic NC(=O)CSCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 72041168 NBBSUGYVQJIALB-UHFFFAOYSA-N 356.875 1.723 0 40 FDAB CSCc1nc2sc(C(=O)NCC(=O)NC(C)C)c(C)c2c(=O)[nH]1 9256900 UVZKAIGHYUIXKF-UHFFFAOYSA-N 368.484 1.410 0 40 FDAB CC(C)[C@H]1C(=O)NCCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 89801958 QCDNDCAPAVGANK-AWEZNQCLSA-N 352.398 1.070 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1c(F)cccc1F 97032301 TYUFBUKXCCMVNN-CYBMUJFWSA-N 372.397 1.657 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 97133766 SPZJKKCCTBPZAB-HNNXBMFYSA-N 374.418 1.860 0 40 FDAB CN(CCOCC(F)F)CC(=O)Nc1ccc(Br)cn1 97105171 RGVLTCNXZAHHMV-UHFFFAOYSA-N 352.179 1.996 0 40 FDAB CC(C)[C@@H]1C(=O)NCCN1c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 89801956 QCDNDCAPAVGANK-CQSZACIVSA-N 352.398 1.070 0 40 FDAB CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1 89893435 BPXYJZALYYXJML-CXAGYDPISA-N 365.455 1.467 0 40 FDAB Cc1nsc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)n1 173080757 ROGGCTPHDAHOFD-UHFFFAOYSA-N 371.466 1.936 0 40 FDAB CNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 77257426 ZMLJWCXEOMKPEK-LLVKDONJSA-N 358.316 1.343 0 40 FDAB CCOCCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 409125587 BHRLDFWLUSUEHF-UHFFFAOYSA-N 358.460 1.312 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 526052588 PGPRKZVFNNUNBX-MEBBXXQBSA-N 370.413 1.995 0 40 FDAB CN(C)CCN(CCN(C)C)C(=O)c1cccn(Cc2ccccc2)c1=O 530641756 MROXBKLACVFDQA-UHFFFAOYSA-N 370.497 1.462 0 40 FDAB COc1ccccc1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 70641373 VMYLUTVRKARVIC-GOSISDBHSA-N 368.433 1.782 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1 31042794 SGFKHRDMQWPQMZ-CYBMUJFWSA-N 362.407 1.165 0 40 FDAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 30967347 RNYGNNJUQBBZKE-JTQLQIEISA-N 352.368 1.419 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)NC4CCCCCC4)ccc3n2n1 79479662 WACOGCCUXHBVKY-UHFFFAOYSA-N 354.414 1.587 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(O)=Nc2c1cnn2C 49544794 YTPVTCWVINFBNF-NEPJUHHUSA-N 363.443 1.717 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@H](c3ccccc3)C3CC3)cnc21 40033965 IZJZONYPRBCSRX-QGZVFWFLSA-N 351.410 1.788 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 48356139 BHRHLFAKNHNIAC-OAHLLOKOSA-N 369.425 1.000 0 40 FDAB C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)c1nncn1C 333234408 HIKRDNVTVZCWHG-QXSJWSMHSA-N 369.473 1.663 0 40 FDAB Cc1ccc(C(=O)N2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cn1 96183502 DTMIBIAXMFGPDS-RBUKOAKNSA-N 352.438 1.901 0 40 FDAB COCCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1)CC[C@H]2OC 96108545 OKZNTSJJJKXXDQ-GVDBMIGSSA-N 354.472 1.043 0 40 FDAB C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(Cc1ccc(S(C)(=O)=O)o1)C2=O 579685308 YYDZAKPKRZXODK-CULMDFNYSA-N 354.428 1.930 0 40 FDAB Cc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1 96059510 YLKWDLVZUVUWDW-UHFFFAOYSA-N 370.482 1.932 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cccnc2)Oc2ccccc21 96111743 ICDXXYPICKJFMD-RDJZCZTQSA-N 367.405 1.737 0 40 FDAB biogenic,in-vitro CCn1nnc2c1CCN(S(C)(=O)=O)[C@H]2COCc1ccccc1 96198503 HJGSTKSPZHUVGR-HNNXBMFYSA-N 350.444 1.374 0 40 FDAB O=C(c1cccnc1)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1 96229264 QBDZHKRNGDMPTR-QGZVFWFLSA-N 359.455 1.692 0 40 FDAB CC1CCN([C@H](CN[C@@H]2CS(=O)(=O)C[C@H]2O)c2cccs2)CC1 245266978 KXHXZBSDLYIBHB-RBSFLKMASA-N 358.529 1.269 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257244870 INDSRIKDXHRCLS-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CC[C@](F)(CO)C1 585080608 JHBJLIHFSQJCNL-QGZVFWFLSA-N 355.431 1.949 0 40 FDAB Cc1cc2cc(C(=O)N3CC[C@](O)(CN4CCN(C)CC4)C3)ccc2o1 257240743 HUZLPTBTWDRSNB-FQEVSTJZSA-N 357.454 1.566 0 40 FDAB O=C(CCc1ccccc1F)NC[C@]1(O)CCCN(c2ncccn2)C1 257257870 KRKNLZHXDVWSJG-LJQANCHMSA-N 358.417 1.696 0 40 FDAB O=C(O)c1cccc(CNC(=O)N2CCN(Cc3ccncc3)CC2)c1 635524660 LNWMUWZYTLUODI-UHFFFAOYSA-N 354.410 1.807 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](NCc2cccc(OC3CC3)c2F)C1 657465529 RNLTURYLTBTKRZ-CQSZACIVSA-N 371.478 1.727 0 40 FDAB NCCn1cc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)nn1 662454806 FWOURBGIMRISBG-UHFFFAOYSA-N 354.458 1.152 0 40 FDAB CN1CCC(N2CC[C@@H](N(C)C(=O)[C@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)CC1 663135174 MQIRLNPSBYGHIG-COCVIAQXSA-N 363.502 1.504 0 40 FDAB CNc1ccc(NC(=O)Cn2cnc3c2CCNC32CCOCC2)cn1 1775961478 DCTFNLXHDGBBPX-UHFFFAOYSA-N 356.430 1.110 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3ccnn3C)CC2)C[C@@H](O)C1(C)C 585289599 KOOABCILKSHXAK-FUTAKVPZSA-N 374.485 1.434 0 40 FDAB O=C(CC1(O)CCC1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093277 NCGKIZWLZPHWQC-INIZCTEOSA-N 356.413 1.788 0 40 FDAB Cn1cnc([C@@H]2CN(C(=O)Cc3ccccc3C(F)(F)F)C[C@H]2N)c1 685943150 SEHLGRISESPZBI-TZMCWYRMSA-N 352.360 1.935 0 40 FDAB CN1C[C@H](C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1=O 90678668 IESQHIATVMSOAE-CYBMUJFWSA-N 354.410 1.478 0 40 FDAB NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)c(Cl)c1 5900557 JCNUOYZBEZPACG-UHFFFAOYSA-N 360.844 1.929 0 40 FDAB Cc1nc(NC(=O)CSc2nnc(N)s2)nc2c1C(=O)CCC2 13635887 QYHPEVSLBBGQNW-UHFFFAOYSA-N 350.429 1.469 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1OC 16575151 WFGXZIOWIBNQRT-UHFFFAOYSA-N 358.460 1.487 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cn1 17296515 AVHXYNJACCOCKZ-LJQANCHMSA-N 368.393 1.804 0 40 FDAB N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 19370470 RJPBHBGHCZEMNF-SIKLNZKXSA-N 363.461 1.904 0 40 FDAB O=C(NCCN1CCOCC1)c1cc(C2CCOCC2)c2cnccc2n1 19404800 VUSTXZSZEIJDHN-UHFFFAOYSA-N 370.453 1.586 0 40 FDAB COc1ccc2c(cc(C(=O)NC[C@@H](C)N3CCOCC3)n2C)c1OC 19456489 PIDNHPGJKYBJSR-CYBMUJFWSA-N 361.442 1.646 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(N2C(=O)CCC2=O)C1 206953387 NYQKQCZYJQYXRE-UHFFFAOYSA-N 350.802 1.857 0 40 FDAB CSc1nc(C)cc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1888888191 PVZYAISROFCMLV-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)c1F 1888908433 QSAAWKKIDVVMTL-UHFFFAOYSA-N 354.393 1.794 0 40 FDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4cnc5ccccc5n4)C[C@H]3C2)nn1 1888913331 PETJEMZZAAGKQV-GASCZTMLSA-N 360.421 1.937 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037985015 UWKCTIRCOCODDM-LJQANCHMSA-N 354.410 1.316 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)o1 1565555221 BHWFRPXCBCMPSE-IBGZPJMESA-N 354.410 1.546 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H]2C[C@@H](CN(Cc3cccnc3)C2)C1 1565550582 CATBNGVLBSTFES-ROUUACIJSA-N 352.438 1.224 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 1565545644 JLKISNYAGGAKIZ-XFKSJGNHSA-N 357.454 1.419 0 40 FDAB O=C(N[C@@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccco1 799224 JKDYPSHOZBSDBC-VIFPVBQESA-N 370.551 1.568 0 40 FDAB CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NC1CCCCC1 1444257 DIQZYPJGNUOFOR-UHFFFAOYSA-N 351.432 1.672 0 40 FDAB O=C(O)CNc1ccc(S(=O)(=O)c2ccc(NCC(=O)O)cc2)cc1 1603747 KYVKOBBDIVPIMR-UHFFFAOYSA-N 364.379 1.512 0 40 FDAB CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 4165941 DACVUSCTLHNVGR-CQSZACIVSA-N 373.800 1.454 0 40 FDAB O=c1c(=O)n2c(nn1Cc1ccc(F)cc1)N(c1ccc(F)cc1)CC2 8848971 DZMSZUVBYKFBKU-UHFFFAOYSA-N 356.332 1.883 0 40 FDAB O=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(F)c(F)c1 9616376 RTEFVSROZNYKTN-UHFFFAOYSA-N 358.352 1.982 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2cccc(F)c2)CC1 2055747113 JMISBYWTRYFLHT-UHFFFAOYSA-N 373.432 1.321 0 40 FDAB O=C(COc1ccccc1F)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003652 WEAYQGXIMSVSBU-UHFFFAOYSA-N 370.446 1.525 0 40 FDAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2ncccn2)C1 575610951 PUKXDOGULYZKJV-INIZCTEOSA-N 367.409 1.399 0 40 FDAB CN1CCCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 19719660 JDZWEAASODEBPF-KRWDZBQOSA-N 374.510 1.709 0 40 FDAB CC1(C)NC(=O)N(CCCSc2nnnn2C2CCCCC2)C1=O 40089694 KXXXOHXEOATFMO-UHFFFAOYSA-N 352.464 1.991 0 40 FDAB C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(S(C)(=O)=O)cc1 10966583 UZUUANOZVPGPNJ-LBPRGKRZSA-N 364.423 1.680 0 40 FDAB CCc1nnc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)s1 3274783 DTJRIYCPTXORGM-UHFFFAOYSA-N 351.384 1.913 0 40 FDAB CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4762907 OJANTFFQNUJOQL-VXGBXAGGSA-N 361.508 1.649 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 21058676 JVPFZDZYPCOWJS-GASCZTMLSA-N 357.458 1.885 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCCC(=O)N1CCc2sccc2C1 52220776 NLZNYONKZDVIDT-UHFFFAOYSA-N 371.462 1.569 0 40 FDAB Nc1nccnc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 29654786 WWFUXAGVAONVKF-UHFFFAOYSA-N 361.833 1.549 0 40 FDAB CN(C)S(=O)(=O)c1cccc(COc2ccc(-n3cnnn3)cc2)c1 22055985 LBWFMQCQKPQDFY-UHFFFAOYSA-N 359.411 1.492 0 40 FDAB O=C(Cc1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 42671088 SVMZXPQNDNCYCT-LJQANCHMSA-N 366.417 1.740 0 40 FDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 23641923 FDWFCRVOGFVGMW-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB CNC(=O)c1ccc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 26301653 DDENGNHOQLRVJG-KRWDZBQOSA-N 362.474 1.202 0 40 FDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H]1CC(O)=NC1=O 64219701 AOHXYGWTUDVKKW-CHWSQXEVSA-N 362.382 1.921 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCCOc1cccc(Br)c1 57995171 MIQFUJMNXDGTNP-UHFFFAOYSA-N 369.215 1.483 0 40 FDAB O=C([C@@H]1CCOC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 58179979 JAWWLAGNIKGXNN-QGZVFWFLSA-N 374.462 1.709 0 40 FDAB Cc1csc([C@@](O)(CC(=O)OCC(=O)N2CCCC2)C(F)(F)F)n1 58137901 WQCFYKCDOBLGQG-ZDUSSCGKSA-N 366.361 1.757 0 40 FDAB CCNC(=O)CN(CC)C(=O)c1ccc(CSc2nccn2C)o1 58283578 OGUZPHVZABHTJX-UHFFFAOYSA-N 350.444 1.904 0 40 FDAB CN(C)CCOC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3178543 KNNMZOBVOOOAPA-UHFFFAOYSA-N 359.403 1.782 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C 306141969 WLKFUBUFJWZUOY-OAHLLOKOSA-N 362.474 1.594 0 40 FDAB C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1nnnn1C1CC1 36396308 ZRAGLDLYTKOGEJ-NSHDSACASA-N 355.464 1.008 0 40 FDAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)o1 36357409 NZRYONPXSGQTQQ-UHFFFAOYSA-N 365.367 1.922 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3433399 XYZRQISSXQGTGF-UHFFFAOYSA-N 371.349 1.379 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(=O)NCCC(C)C)C2=O)cc1 3461310 VYAZUYOIEHFVPP-IBGZPJMESA-N 374.441 1.634 0 40 FDAB COCCCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)OC)cc2C1=O 23152377 ABIZRWOXSRFWDO-UHFFFAOYSA-N 362.382 1.001 0 40 FDAB CSc1ncc2c(=N)n(NC(=O)c3ccn(C(F)F)n3)cnc2n1 4448299 VOCIQTZGUWGQKV-UHFFFAOYSA-N 352.330 1.003 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2-c2cccc(F)c2)CC1 14095453 XSTCDQKHRRNJAX-LBPRGKRZSA-N 364.450 1.446 0 40 FDAB Cc1cc(C)cc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1 14200189 MVUHPDYITJIUBW-UHFFFAOYSA-N 360.439 1.927 0 40 FDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1OC 14379144 LUOQFRCWYDJBEL-UHFFFAOYSA-N 355.394 1.674 0 40 FDAB C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8729104 XKKTVIDIKCSUAX-LLVKDONJSA-N 358.442 1.647 0 40 FDAB Cc1nc2sc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(C)c2c(=O)[nH]1 8752458 CLKPQQYJJOLFAD-VIFPVBQESA-N 351.428 1.919 0 40 FDAB CCCNC(=O)CN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 8767079 YCYOUHDVQDITEB-UHFFFAOYSA-N 369.487 1.152 0 40 FDAB O[C@@H]1CO[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H]1O 15206100 WHFCYXMRDUCMTI-TUVASFSCSA-N 355.184 1.420 0 40 FDAB COc1cccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1 89662345 DLWUUOKMNCEUNE-HOTGVXAUSA-N 364.442 1.988 0 40 FDAB COCCCn1ccc(NC(=O)C(=O)NCCCNc2ccccc2)n1 72314619 ATEAQQDSAUQVFJ-UHFFFAOYSA-N 359.430 1.477 0 40 FDAB CC(C)CN1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 84678066 PUMIZIYLDDSIAN-MRXNPFEDSA-N 371.485 1.515 0 40 FDAB COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2nc3nccc(C)n3n2)cc1 95458890 ZWYKPFIGRAGMJP-DOMZBBRYSA-N 355.398 1.947 0 40 FDAB Cc1nc(Cl)sc1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 78623977 QNXWUMYBTKWOKA-SNVBAGLBSA-N 373.891 1.842 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(=O)O 95970167 QPLMIOWWFSHTDO-XHDPSFHLSA-N 356.444 1.377 0 40 FDAB CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccn2)C1 306126967 FKLFOCNILMFPPM-MRXNPFEDSA-N 366.425 1.907 0 40 FDAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)c1 306124053 BEGYLFABTNZOSG-MRXNPFEDSA-N 366.425 1.782 0 40 FDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 408651565 GVOXDLDPGAJAMA-VJOHVRBBSA-N 357.362 1.569 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306140304 UPKAACIFCWKXIY-CYBMUJFWSA-N 353.444 1.061 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(CC)CC3)ccc21 36077016 KHZLVYZLWFDAAQ-UHFFFAOYSA-N 351.472 1.312 0 40 FDAB COC(=O)c1sc2ncccc2c1NC(=O)c1nccnc1C(=O)O 71285874 BLABYJQTWDAPMD-UHFFFAOYSA-N 358.335 1.823 0 40 FDAB COc1ccc2cnn(CC(=O)Nc3cccc(C)n3)c(=O)c2c1OC 79482113 NDHMODWGJJCTQD-UHFFFAOYSA-N 354.366 1.756 0 40 FDAB C[C@@H]1CCCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)C1 216424794 SSWBEEHNBJZKTF-CYBMUJFWSA-N 357.451 1.697 0 40 FDAB CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC 135891519 SUJCDMBYNNJRJV-WMLDXEAASA-N 361.490 1.378 0 40 FDAB O=C(O)C[C@H]1CNCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 71403957 QIGZIWKBYRJNOW-HNNXBMFYSA-N 365.437 1.892 0 40 FDAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)C(=O)Nc1ccon1 43942793 BCLHMVFDYOGABK-ONEGZZNKSA-N 372.381 1.274 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1CC(=O)O 326952307 GARRDNNMGGEZQL-UHFFFAOYSA-N 368.455 1.125 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(C)c1 85432588 UESCESZHMVJYGY-CQSZACIVSA-N 356.430 1.279 0 40 FDAB CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)nn1 576367285 AUPMGZJUVULAMU-OLZOCXBDSA-N 362.434 1.672 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cscn1)C2 96050311 CWQFMQZFFQIEEX-KRWDZBQOSA-N 357.439 1.101 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H](c2ccncc2)C1 579636062 RVDYKMZASFLTFJ-AWEZNQCLSA-N 365.480 1.828 0 40 FDAB O=C(NCCC(=O)N1CCC[C@](O)(CN2CCCC2)CC1)c1cccnc1 257322680 WGYNJLNSMSECQZ-HXUWFJFHSA-N 374.485 1.041 0 40 FDAB O=C(COc1ccccc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257340463 ZGGBDGGVGVIGAC-KRWDZBQOSA-N 354.397 1.760 0 40 FDAB Cc1ncccc1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257294963 QWLBUXIOQDILMF-BRSBDYLESA-N 360.385 1.591 0 40 FDAB O=C(O)COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 254791335 HVPNZKRHSHSVTH-UHFFFAOYSA-N 352.371 1.920 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)C3CCC3)CC2)CC1 257282242 OSZMMFJOQBOYGI-LJQANCHMSA-N 351.491 1.131 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1S(=O)(=O)c1cccs1 257299545 RQLWOHSCUJSBSV-ZDUSSCGKSA-N 353.469 1.869 0 40 FDAB CNC(=O)CN1CCO[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 257235996 HAKJSHQCZBZHHA-GFCCVEGCSA-N 362.455 1.117 0 40 FDAB O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCN(C2CCC2)C1=O 624217639 BEJBDVLHDVMODZ-WMLDXEAASA-N 360.433 1.857 0 40 FDAB O=C(CCc1nn[nH]n1)N1CC[C@H](Cc2ccc(Br)cc2)C1 633199801 WGSIYEUZVUYAKG-GFCCVEGCSA-N 364.247 1.986 0 40 FDAB CN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCC[C@@H]4N)cc2)CC1 1122009519 RUJFYIQPYRCEDW-KRWDZBQOSA-N 368.485 1.676 0 40 FDAB CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)[C@H]1C(C)C 1775956874 AOUMAPNCYVBTNK-MLYOOKFZSA-N 356.470 1.934 0 40 FDAB CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O 299817177 JPYMZGZGKXHPPL-ZQIUZPCESA-N 372.469 1.827 0 40 FDAB in-vitro CN1c2ccc(NC(=O)Cn3cnc4ccccc43)cc2N(C)S1(=O)=O 390829382 YFWDYWAIMMPFRG-UHFFFAOYSA-N 371.422 1.806 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 575421517 QWXWPMXCUNTLPM-CQSZACIVSA-N 360.501 1.464 0 40 FDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/CN2CCOCC2)cc1 585291731 SMMSANKGHLFEJI-NXVVPMLUSA-N 358.482 1.778 0 40 FDAB O[C@@H]1[C@@H](NCCCN2CCOCC2)CCC[C@H]1Oc1ccc(F)cc1 585284274 GWSXEOBTKRGPJU-IPMKNSEASA-N 352.450 1.798 0 40 FDAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCCCC1 585279369 YIYXYILNPPKDTH-LJQANCHMSA-N 353.434 1.963 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2coc3ccc(C)cc23)C1 685941216 VEAFMHRAGPLXJR-WFASDCNBSA-N 358.394 1.722 0 40 FDAB O=C(CN1CCc2sccc2C1)NN1C(=O)NC2(CCCCC2)C1=O 57398785 FMIDJXMENPZOPT-UHFFFAOYSA-N 362.455 1.392 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CC[C@@H](C(=O)O)[C@H]2c2ccc(F)cc2)n1 72342765 GUSWYISWHNMYNN-RHSMWYFYSA-N 359.357 1.365 0 40 FDAB Cn1nc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)ccc1=O 11780819 GCVDEGXXTCMTJO-UHFFFAOYSA-N 350.781 1.535 0 40 FDAB C[C@@H]1CCc2c(sc3ncn(C4CCN(CC(N)=O)CC4)c(=O)c23)C1 12145469 AWCCVHZDXFTGPL-LLVKDONJSA-N 360.483 1.705 0 40 FDAB C[C@@H](C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1)N1CCCC1=O 12187049 OMBIPDAYLIIPIL-ZDUSSCGKSA-N 369.425 1.849 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 19375622 DGQLQHYALHQQPQ-OCCSQVGLSA-N 363.439 1.426 0 40 FDAB COCC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)Nc2ccccc2OC)C1 19701593 SFVUVEJEPZPYTB-ZDUSSCGKSA-N 358.398 1.140 0 40 FDAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CC12CCCC2 531617727 JPOJZHJYWGFGNZ-HNNXBMFYSA-N 366.483 1.496 0 40 FDAB Cc1nccn1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585950 GPTVJGYVFFVNNE-QWFCFKBJSA-N 355.438 1.728 0 40 FDAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCNCC2 643568051 JSAGPWVMRAEEQI-CVEARBPZSA-N 353.507 1.592 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)nc(-c2ccccn2)n1 643720053 TVJHRVWQHZHYKX-LJQANCHMSA-N 355.442 1.657 0 40 FDAB CC(=O)NC[C@H]1CN([C@@H](C(=O)O)c2ccccc2Br)CCO1 659787384 HFISHJWAMKVIDJ-SMDDNHRTSA-N 371.231 1.412 0 40 FDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(-n2cccn2)cc1 253407918 WWWNUILNOGNZEY-XYPHTWIQSA-N 363.439 1.487 0 40 FDAB CCN(CC)CCCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 6318285 HSHPCTPENJHWNN-UHFFFAOYSA-N 372.560 1.955 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnccn5)C[C@@H]4C3)n1)CCC2 1888868550 BSBQFADOTKVFEL-KBPBESRZSA-N 350.426 1.272 0 40 FDAB O=C(c1nc[nH]n1)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888899209 JYZYVKZPNYWMPD-CYBMUJFWSA-N 350.382 1.803 0 40 FDAB c1ccc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)ncnc2c1 1889219209 NLPSIQPJRSBPDD-UHFFFAOYSA-N 358.409 1.932 0 40 FDAB CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)c3sccc3F)C[C@@H]2CC1 2056224588 XLYNLZRYCNUWRO-BETUJISGSA-N 353.463 1.759 0 40 FDAB O=C([C@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCC(F)(F)CC1 2087126995 PVTXOLDXBXOQBT-OAHLLOKOSA-N 366.412 1.818 0 40 FDAB COc1ccc(OCC(=O)Nn2c(=S)[nH]c3ncccc3c2=O)cc1 2959828 VGEOVCUDQMNHMM-UHFFFAOYSA-N 358.379 1.612 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)o2)NC(=S)N[C@@]1(O)C(F)(F)F 11024087 TYGJYWAOSBTOMZ-AUTRQRHGSA-N 352.334 1.537 0 40 FDAB Cc1ncnc(C(=O)N2Cc3cn(C)nc3[C@H](COCC3CC3)C2)c1C 2055751068 DEPURBSZLCGVPP-INIZCTEOSA-N 355.442 1.993 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 2055772883 QRYXYIGVFWVDPK-KRWDZBQOSA-N 362.455 1.118 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3cccc(Cl)c3)CC[C@@H]2C1 2055729866 VTMWSMAYJQIIQR-UKRRQHHQSA-N 372.874 1.463 0 40 FDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4cccnc4)CC3)nc2)no1 44094347 TWRKJVZFLSFLMB-UHFFFAOYSA-N 350.382 1.797 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)OCc1ccccc1 575616953 OPJWPYLLCUSFOE-MRXNPFEDSA-N 352.456 1.564 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1 35485105 ODCYKKLKNYSAMN-KDOFPFPSSA-N 367.449 1.531 0 40 FDAB biogenic CS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1 40081245 FIJQWTUHZRMEJS-UHFFFAOYSA-N 356.407 1.601 0 40 FDAB COC(=O)CCCN(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 40040498 NLIMVDUZXRCSCH-UHFFFAOYSA-N 354.428 1.252 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(N2CCOC2=O)cc1 40107047 QLYFNBPTAKFCRN-UHFFFAOYSA-N 364.365 1.549 0 40 FDAB c1nc2c3c4c(sc3nc(NCCN3CCOCC3)n2n1)CCCC4 20479955 NIAHHUPQTZQTLX-UHFFFAOYSA-N 358.471 1.962 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cn1)c1c[nH]c(C(=O)N2CCCC2)c1 51034154 ZQPPSJJPQSRPTQ-UHFFFAOYSA-N 369.425 1.735 0 40 FDAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCNC1=O 4985313 WAOMYHMRULXDKD-UHFFFAOYSA-N 357.439 1.848 0 40 FDAB COCCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C 45916906 FLXXYNMKOXFCBX-LJQANCHMSA-N 360.410 1.811 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccc(O)cc2)n2ncnc2N1 54672241 ACANCEGCLKAZPZ-MRXNPFEDSA-N 354.414 1.047 0 40 FDAB NC(=O)[C@@H]1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)C1 52394028 VXJHERHSNXUIQL-SECBINFHSA-N 353.209 1.851 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2C)CC1 10112779 ASNGUXGBZAQHED-UHFFFAOYSA-N 369.443 1.281 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12 32903112 DEORLXIXJJWJLK-ZDUSSCGKSA-N 364.405 1.634 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 22384605 HUYQQCCZLDZIOM-NSHDSACASA-N 352.387 1.778 0 40 FDAB COC(=O)c1sc(NC(=O)CCn2cnc3ccccc3c2=O)nc1C 53472158 LFTPEMCSXXGTIA-UHFFFAOYSA-N 372.406 1.977 0 40 FDAB C[C@H](NC(=O)NC(=O)CSc1nnnn1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104253442 DCUITSVYXGAIKJ-ZPFDUUQYSA-N 364.475 1.751 0 40 FDAB CCOc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 23652236 ULPRFNCIOSVYQK-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB CCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 55284606 ZLNINWGYUQIXBC-UHFFFAOYSA-N 354.428 1.091 0 40 FDAB O=C1CCCc2cc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)ccc2N1 56058394 BBSWXOJWWDURNZ-OAHLLOKOSA-N 363.483 1.820 0 40 FDAB COc1ccccc1NC(=O)CCN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 108147895 JBAAVTAVWKTNMZ-IEBWSBKVSA-N 374.529 1.982 0 40 FDAB CCOc1c(Br)cc(C(=O)N[C@@H]2CCCNC2=O)cc1OC 60211864 RDUUTRYRQRFYFL-LLVKDONJSA-N 371.231 1.865 0 40 FDAB O=C(CNC(=O)[C@H](c1ccccc1)N1CCSCC1)NCc1ccco1 58264581 YAJIYYASRPPYKC-SFHVURJKSA-N 373.478 1.802 0 40 FDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 10619828 MHBHUQMKIZVSCZ-NEPJUHHUSA-N 354.428 1.058 0 40 FDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3408381 GOAJHOOZVXXTKZ-UHFFFAOYSA-N 364.379 1.660 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 12944889 XBCCRNIWGLZCTB-UHFFFAOYSA-N 354.410 1.080 0 40 FDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 8547397 USRSDLUVFLTCIO-UHFFFAOYSA-N 374.447 1.746 0 40 FDAB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1ccc(Br)cc1 408731615 OCUWUIXOQCQLHM-LBPRGKRZSA-N 353.220 1.750 0 40 FDAB CN1C(=O)C[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccc1 20735221 QVWLAADHGDLHTR-RDJZCZTQSA-N 373.434 1.492 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 6048479 ZABNRUIUGRXNAU-ZIAGYGMSSA-N 362.426 1.473 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 4314131 OFIQUSRKBZNYCD-UHFFFAOYSA-N 365.393 1.095 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306137401 QVHCXLLKBDLDEO-AWEZNQCLSA-N 368.437 1.994 0 40 FDAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)cc1 20650817 FHYQAQUFHZKMRN-UHFFFAOYSA-N 365.393 1.315 0 40 FDAB O=C(NCc1ccccc1)c1n[nH]nc1NS(=O)(=O)c1ccccc1 4499985 NQTOGKGUHAPTBH-UHFFFAOYSA-N 357.395 1.536 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(C)s1 4699127 YQDHJSWKNQPTEB-GFCCVEGCSA-N 351.453 1.839 0 40 FDAB O=c1[nH]c2c(c(=O)[nH]1)[C@H]1c3cc(Br)ccc3OC[C@H]1CO2 6623938 GMUWEIQHPNRWBM-QUBYGPBYSA-N 351.156 1.359 0 40 FDAB biogenic CCNC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 15022583 XUVKIFIQDWQQDQ-GASCZTMLSA-N 357.410 1.550 0 40 FDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 15302752 IQEVNGDECORWTC-CRAIPNDOSA-N 359.470 1.899 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccccc1F 7279205 BFAYILXSKQBWFA-FQEVSTJZSA-N 367.380 1.835 0 40 FDAB C[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024930 KXSALVHRLVXAQD-PYXWBORCSA-N 361.829 1.879 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 7735556 MRVQXEBSRYXXRY-UHFFFAOYSA-N 373.409 1.223 0 40 FDAB COc1cccc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)c1 69150081 LPXDXRRWQNNDJE-UHFFFAOYSA-N 355.442 1.266 0 40 FDAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)N3CCOCC3)no2)cn1 96001732 YLZRYTIJTOULSG-AWEZNQCLSA-N 360.418 1.839 0 40 FDAB O=C(NCc1cn[nH]n1)C1CCN(C(=O)CCOc2ccccc2)CC1 97011245 AHBSWPKQYJASMO-UHFFFAOYSA-N 357.414 1.129 0 40 FDAB Cc1ccc([C@](C)(O)CNC(=O)COc2ccc3c(c2)CCC(=O)N3)o1 76086863 FBZFDGBDVFIMEZ-LJQANCHMSA-N 358.394 1.875 0 40 FDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 95433338 CXIAAZIDCCFEGA-DZGCQCFKSA-N 352.456 1.384 0 40 FDAB CCc1ccc(CCC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 95464486 SMKCUWYFBQHJRW-QGZVFWFLSA-N 360.454 1.963 0 40 FDAB C[S@](=O)CCNC(=O)c1cc(F)ccc1I 78764038 DCVSZNVNNUOJCM-MRXNPFEDSA-N 355.172 1.539 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCc3ccccc3Cn3cccn3)nc2n1 25406533 XZPJVOCANVOACF-UHFFFAOYSA-N 361.409 1.916 0 40 FDAB O=C1CN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]2CCCC[C@@H]2N1 79104089 YZXBLKKLIQCJKE-LSDHHAIUSA-N 358.398 1.918 0 40 FDAB C[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 35456554 QMWJARHMJRTJMQ-RMCBMHADSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro COC(=O)c1nc(NC(=O)Cn2cnnn2)sc1Cc1ccccc1 524733950 HSCHNBJVZJVSHH-UHFFFAOYSA-N 358.383 1.146 0 40 FDAB Cc1c(C)[n+]([O-])c([C@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1C 524735232 JIZUTJUKBNYOAF-CYBMUJFWSA-N 359.382 1.255 0 40 FDAB NC(=O)COc1ccc(NC(=O)c2cncc(N3CCOCC3)c2)cc1 535993903 QFZUFPWRUPSGSE-UHFFFAOYSA-N 356.382 1.035 0 40 FDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72354366 JBLBWPLRWMSDJG-OAHLLOKOSA-N 369.473 1.895 0 40 FDAB CNC(=O)c1cc(C2CCN(C(=O)[C@H](N)c3ccccc3)CC2)ncn1 72357453 SUYNGMBXMGCRSD-QGZVFWFLSA-N 353.426 1.242 0 40 FDAB O=C(NCc1cccc(Cl)c1)c1nc(CC(=O)N2CCOCC2)no1 44890511 SFOWMWWHJYIZPV-UHFFFAOYSA-N 364.789 1.054 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1 44450459 BASKFPLMMFQKEC-ZDUSSCGKSA-N 352.394 1.720 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 43941835 GIKNYUWGFMIJHK-UHFFFAOYSA-N 362.430 1.286 0 40 FDAB O=c1ccccn1C[C@@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ccccc1 328645358 GJOPQALWSGUGFY-RYQLBKOJSA-N 373.478 1.908 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)Oc2ccccc21 44932121 RSDCTTCZCOPPSS-MRXNPFEDSA-N 364.398 1.669 0 40 FDAB CCOC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 528017246 ATAHZVNLDOZULO-NVXWUHKLSA-N 351.422 1.851 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N(CCc2cccs2)C2CC2)CC1 77171894 CDCXCNHCLOGJSU-UHFFFAOYSA-N 356.513 1.953 0 40 FDAB O=C(c1cccnc1)N1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96047071 IEPBOOUJLMTALK-FQEVSTJZSA-N 357.454 1.963 0 40 FDAB O=C(COc1cccc(-n2cnnc2)c1)NCCc1nc2ccccc2[nH]1 96232334 SBIIJWJZBIBCMF-UHFFFAOYSA-N 362.393 1.881 0 40 FDAB CN(C)C1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccoc2)C3)CC1 96187459 MLGUFGMJTZBVBQ-UHFFFAOYSA-N 357.458 1.727 0 40 FDAB CCN1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)NC(C)C)CC[C@@H]12 96145341 GTQVWMGAALZZFW-VQIMIIECSA-N 350.507 1.903 0 40 FDAB COc1ccc(CN2C[C@@H]3[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]3C2)cc1 96100350 OYUDWTZHWTWHAK-GVDBMIGSSA-N 366.483 1.019 0 40 FDAB O=C(c1cccc2c1OCCO2)N1Cc2cncn2[C@@H](CN2CCCC2)C1 247872974 MNXYUPDLHZGGAT-INIZCTEOSA-N 368.437 1.947 0 40 FDAB Cc1ccn(CCC(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)n1 257326254 WWMKEXVDNKHQKC-IBGZPJMESA-N 357.458 1.467 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC[C@]1(C)O 257267477 MHMAYQMWWWQLJK-WMZOPIPTSA-N 350.434 1.489 0 40 FDAB CC(C)[C@H]1COC(=O)N1c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257307752 TTYBTBXROFEKBL-CQSZACIVSA-N 368.459 1.597 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(O)C=C[C@@]3(C[C@@H]2C(=O)O)[C@H]1C5 253505053 PHVHFUCWRHIUOT-OWVYDRLJSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257337802 YULZBWRRCPOHAT-YOEHRIQHSA-N 356.426 1.514 0 40 FDAB Cc1ccc2nc(C(=O)N3CCOC[C@@H]3c3cc(O)nc(C)n3)cn2c1 257274973 NNLTVTGHMHZPJT-OAHLLOKOSA-N 353.382 1.660 0 40 FDAB Cc1cccc2nc(C(=O)N3CCO[C@@H](CCc4ccncn4)C3)cn12 257280046 OJFXLVPDBRZKMK-INIZCTEOSA-N 351.410 1.907 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257262699 LMMDORBSPATVTN-SFHVURJKSA-N 355.442 1.748 0 40 FDAB O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 90607360 LTBNRWOQVWUWAP-INIZCTEOSA-N 371.393 1.585 0 40 FDAB COC(=O)CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 604419397 JJKPCRRULRTUKE-UHFFFAOYSA-N 374.846 1.563 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 1632290190 HVGIBLYMMRSMQB-CQSZACIVSA-N 372.402 1.775 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)NC[C@H](C(=O)O)C2CCCCC2)CC1 630262113 IHIYHTGSFOZJOS-HNNXBMFYSA-N 353.463 1.777 0 40 FDAB CC(C)c1ncc2c(n1)CCN(C(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1)C2 630672631 LFCJRXWELNRGAZ-CVEARBPZSA-N 358.442 1.565 0 40 FDAB Fc1ccc2ncnc(N[C@@H]3CCCN(CCN4CCOCC4)C3)c2c1 641718871 CASNIHZYKZLACN-MRXNPFEDSA-N 359.449 1.977 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)ccc1F 96123415 JMJXRUNUKWTAGZ-UHFFFAOYSA-N 369.374 1.873 0 40 FDAB C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1CC1CCOCC1 585097876 ONJOQNSOLKLEJV-HNNXBMFYSA-N 357.458 1.925 0 40 FDAB Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 585108450 LUIPLEKFGAGBFG-VQIMIIECSA-N 371.441 1.438 0 40 FDAB Cc1cc(C)nc(N2CCC[C@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 585101159 KDYLLWRQYJKLII-HNNXBMFYSA-N 371.363 1.887 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615124576 WWLBBLNJFPICAX-GOSISDBHSA-N 364.373 1.113 0 40 FDAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)C4CC4)C[C@H]23)n1 1549161693 JSXHQNJFCIQRRA-HNNXBMFYSA-N 371.441 1.197 0 40 FDAB COCCN1C(=O)CC2(CCN(C(=O)c3cccnc3)CC2)n2nccc21 1772596191 RUHAWMBJFXGHIO-UHFFFAOYSA-N 369.425 1.293 0 40 FDAB CCOC(=O)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 5460646 BEODGYVYLWRWFZ-UHFFFAOYSA-N 357.384 1.912 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 5884414 YHINUXRQJUPOEU-UHFFFAOYSA-N 368.798 1.783 0 40 FDAB COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ccc(OC)cc1 12116203 MYINLRVFSYVNIH-JKSUJKDBSA-N 369.421 1.936 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc(Cl)cc1 13646659 OTSKDVWXVSHMOX-UHFFFAOYSA-N 373.906 1.708 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc3ccccn23)CC1 15333551 HGLOWTCJFIBNMN-UHFFFAOYSA-N 361.427 1.902 0 40 FDAB NC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 19759316 KKACCPNNOUBCFZ-SFHVURJKSA-N 362.389 1.942 0 40 FDAB O=C([C@@H]1CN(c2ncc(Br)cn2)CCO1)N1CCSCC1 1888834255 MECFMPYBZRBETE-NSHDSACASA-N 373.276 1.020 0 40 FDAB CCc1cc(N2CCN(c3ccc4nnc(C)n4n3)CC2)nc(SC)n1 1888890644 HQHCMTBQXYDCNF-UHFFFAOYSA-N 370.486 1.834 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@@H]4C3)nn12 1888904304 NWYAXJZBXSWFGE-KBPBESRZSA-N 363.425 1.290 0 40 FDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCCOC)c(C)c1 32831121 CZBHZKDMVKPPGL-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2cccc(C)c2)no1 1775964008 NRMIGFWHSPVELQ-AWEZNQCLSA-N 358.398 1.618 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)nn1 1776000639 CEHKIDZMLMTHKH-UHFFFAOYSA-N 356.430 1.804 0 40 FDAB O=C1COC[C@]2(CN(Cc3cccnc3)CCO2)CN1c1ccccc1 2037980639 CIAPNRQBMBFUTR-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB COc1ccc(CN2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)cc1F 2037984301 WZNCBQFLDTUFQD-IBGZPJMESA-N 366.433 1.673 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3OCCN(Cc4cccc(C)n4)[C@H]3C2)n1 2056224287 URNQSWAWUCIVQK-ROUUACIJSA-N 368.437 1.519 0 40 FDAB Cn1nc(CNC(=O)[C@@H]2CCOC2)c2cc(C(=O)NC3CCC3)sc21 1614929026 BTVXVABHEZFRIQ-SNVBAGLBSA-N 362.455 1.570 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 1615068071 FVOBRPSDLDIRGB-IBGZPJMESA-N 369.425 1.357 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565552341 QZUNQCWIVFCMTH-OALUTQOASA-N 367.453 1.306 0 40 FDAB CCc1ncc2n1-c1ncccc1NC21CCN(C(=O)C2CC(O)C2)CC1 1565548073 QOAUPBUUNZALIY-UHFFFAOYSA-N 367.453 1.844 0 40 FDAB CC1=NN(Cc2ccccc2C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148000 DNPHWRVNAFCNQT-CYBMUJFWSA-N 366.425 1.699 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(C)cc(C)c1 9827339 OIIHMIUTZHXKNT-UHFFFAOYSA-N 362.455 1.469 0 40 FDAB CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)Cc1ccccc1 10619310 LFNNTWYNXNYGNM-UHFFFAOYSA-N 352.437 1.661 0 40 FDAB Cn1c(-c2nonc2N)nnc1S(=O)(=O)Cc1c(F)cccc1Cl 12427799 OSFGTCRWVTUWOD-UHFFFAOYSA-N 372.769 1.214 0 40 FDAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)N21 18223153 XRRSWSHFYVBDPS-SNVBAGLBSA-N 366.830 1.290 0 40 FDAB Cc1nc(NCCNS(=O)(=O)Cc2ccccc2)cc(-n2cccn2)n1 23144526 GYRYFOAKPCDADJ-UHFFFAOYSA-N 372.454 1.502 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(Cc5nc(C)no5)C[C@@H]4C3)ncnc21 2086865045 CYOSCPWGMVTWNK-CHWSQXEVSA-N 354.418 1.106 0 40 FDAB COc1ccc(CN(C)C(=O)CN2CCC(NC(=O)C3CC3)CC2)cc1 40120388 LMCWKEOAPLXGAQ-UHFFFAOYSA-N 359.470 1.644 0 40 FDAB COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1-n1cnnn1 883590 JRTQOBOIWPTMCM-UHFFFAOYSA-N 353.338 1.694 0 40 FDAB CC(C)N(C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O)C(C)C 1344777 BXICMRVHVSGXHO-UHFFFAOYSA-N 354.414 1.623 0 40 FDAB COc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044048 BSOQQWLMYGZOQB-UGIWWLGZSA-N 369.373 1.526 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1C(=O)NC1CC1 11607898 JMNNQFQUNJSTFP-UHFFFAOYSA-N 370.409 1.382 0 40 FDAB Cc1cc2c(cc1NS(=O)(=O)c1ccc3oc(=O)n(C)c3c1)OCO2 8783082 RWJHYXVTQSVENV-UHFFFAOYSA-N 362.363 1.969 0 40 FDAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccc(O)cc2)n2nnnc2N1 10232494 RWKYURDZAYRKAE-CQSZACIVSA-N 367.321 1.297 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@@H]2c1ccccc1Cl 104280074 UGZGGHQIYVVOHJ-INIZCTEOSA-N 372.860 1.781 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1OC 101303126 OTBYKUJJIWRGJX-AEFFLSMTSA-N 366.373 1.992 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@H]1CCOc2ccccc21 32895637 POXPCBPEHLQZKF-LBPRGKRZSA-N 351.384 1.389 0 40 FDAB COC(=O)CN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1 58161222 YJMRJIROQWJFRJ-UHFFFAOYSA-N 355.394 1.399 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)COc2ccccc2C)C1 55695061 BKDKYCRJGDBZRQ-HOTGVXAUSA-N 368.499 1.940 0 40 FDAB O=c1c2cnc(NCCCn3cccn3)nc2nc(O)n1-c1ccccc1 75165662 RXKKIYYTRYWWPK-UHFFFAOYSA-N 363.381 1.580 0 40 FDAB CCN(CC)[C@H](CNC(=O)CN1CSCC1=O)c1cccc(OC)c1 41908999 YAOXHXRHZYXVMG-MRXNPFEDSA-N 365.499 1.727 0 40 FDAB COc1ccccc1NC(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O 22724317 IUIPQQOOHQJATR-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cccc(F)c2)c1 58192648 NOXYMCMENXXCSN-NSHDSACASA-N 372.443 1.773 0 40 FDAB O=C(NC[C@H]1CCCO1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819421 DIXZIYPBWQQWHW-WBVHZDCISA-N 358.369 1.707 0 40 FDAB Cc1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)no1 107711910 YJISKDPLPTZYPC-WMZOPIPTSA-N 351.447 1.459 0 40 FDAB CS[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2O)CC1 54115663 ODXVMYROPZWBDT-GFCCVEGCSA-N 358.485 1.285 0 40 FDAB CCOCc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 42494286 DLSXPQZLCHRJRO-HNNXBMFYSA-N 357.497 1.760 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC[C@H]2O 22611964 JSFVFHHALOIGDG-GFCCVEGCSA-N 368.455 1.565 0 40 FDAB CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 54950342 JRHZZSILXVSDSG-QGZVFWFLSA-N 374.466 1.855 0 40 FDAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1 24970386 GSOVXFVRBBNQSP-HIFRSBDPSA-N 364.423 1.387 0 40 FDAB Cc1c([C@@H](C)NC(=O)CCn2nc(O)c3ccccc3c2=O)cnn1C 25000212 KUOPJYBPHRTFBN-LLVKDONJSA-N 355.398 1.412 0 40 FDAB CCC[C@@H](NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC)c1ccccc1 21576946 RXOGGDKESQVBOV-CVEARBPZSA-N 361.442 1.008 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 3277819 TXGMTPYEVSTAQL-UHFFFAOYSA-N 354.428 1.396 0 40 FDAB CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(OC)cc1 12650369 NOKQMOBYKDGQHB-AWEZNQCLSA-N 356.444 1.001 0 40 FDAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCN(C(=O)C2CC2)CC1 36392064 IEURCPCHVMPHLM-UHFFFAOYSA-N 368.437 1.674 0 40 FDAB NC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 3354563 SRHOCSGIOPLAQE-UHFFFAOYSA-N 357.385 1.652 0 40 FDAB COc1cccc(NC(=O)COC(=O)CCn2c(C)csc2=O)c1 12848682 KNQFTVWCDVXGGM-UHFFFAOYSA-N 350.396 1.799 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Cl)ccc2n1 12866698 VOPZBGLZGGHJEO-MRXNPFEDSA-N 368.824 1.760 0 40 FDAB CC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 306142275 WVJPBXUDEJRFBG-APWZRJJASA-N 362.426 1.301 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCSCc1ccco1 12980951 RITNSHPVKDRXGP-UHFFFAOYSA-N 373.434 1.723 0 40 FDAB COC(=O)c1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC 12919170 SVDRXGTVHCGXPY-UHFFFAOYSA-N 367.365 1.388 0 40 FDAB COc1cc(/C=C/C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc2c1OCCO2 12982319 KNVOSIPXHMANOU-IDOMTICXSA-N 367.423 1.173 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1OC 3596968 FSDFSXDFRSXMFH-CYBMUJFWSA-N 363.414 1.287 0 40 FDAB COCCCN1C(=O)N=C(O)/C(=C2\C[C@H](c3ccc(OC)cc3)NN2)C1=O 17043594 MRWVNXLRVXIBFA-FARYLTDUSA-N 374.397 1.444 0 40 FDAB CCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 4046754 WLYRSPDJKBYMOV-APPDUMDISA-N 362.382 1.390 0 40 FDAB biogenic O=C(Cn1c(=O)oc2ccccc21)OCCCn1c(=O)[nH]c2ccccc21 7983251 DDSHQGPEDLCEPH-UHFFFAOYSA-N 367.361 1.871 0 40 FDAB CCc1ccc(N2C(=O)C[C@@]3(CC(C(=O)OC)=NN3C(C)=O)C2=O)cc1 5024234 LHVWDQOJZDBOLL-SFHVURJKSA-N 357.366 1.032 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 13719965 KAFMXYVCONMQPP-QMMMGPOBSA-N 359.333 1.515 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1 16489481 YQORHNJVKOZHQA-UHFFFAOYSA-N 357.457 1.481 0 40 FDAB CCOC(=O)c1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 5244630 LPZWHQSYNQMRHH-UHFFFAOYSA-N 366.377 1.997 0 40 FDAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1O2 8130796 XDBUCDKQHSGXPV-MRXNPFEDSA-N 368.437 1.498 0 40 FDAB Cc1nnc(SCc2nc3ccccc3c(=O)n2CC(N)=O)n1C1CC1 8129099 XUZOYKVVKLMEOW-UHFFFAOYSA-N 370.438 1.409 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)C3CCC3)ccc21 8499642 MDKSSRVHLOGIBC-UHFFFAOYSA-N 351.424 1.925 0 40 FDAB COc1ccc(CCN2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 5390586 GGHWPYWDIVLJDC-RISCZKNCSA-N 356.469 1.395 0 40 FDAB CN1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)CC1 14162430 NODZWXUQDBZSEQ-UHFFFAOYSA-N 352.485 1.373 0 40 FDAB Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=S)o1 14254141 RJZIWYIZHFPDEU-UHFFFAOYSA-N 372.447 1.617 0 40 FDAB O=C1CC(C(=O)NCCCc2cccc(Br)c2)CC(=O)N1 66443396 HJGHNBONKAIYFX-UHFFFAOYSA-N 353.216 1.551 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2S1(=O)=O 24697242 FHWBNOJOJLSRQM-UHFFFAOYSA-N 370.386 1.517 0 40 FDAB CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1 4817158 QKWMLWIDWFIZHY-UHFFFAOYSA-N 351.353 1.560 0 40 FDAB in-vitro COCCNC(=O)c1nn(-c2ccc(Cl)cc2)s/c1=N\C(C)=O 16956973 QWXOKBGGEUOQKC-VKAVYKQESA-N 354.819 1.411 0 40 FDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 8853245 ALYPQXWKWPDMCE-RMKNXTFCSA-N 350.422 1.966 0 40 FDAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(C)n3C)nc2c1 9256748 NWFFKSCXZKFQQM-UHFFFAOYSA-N 355.350 1.714 0 40 FDAB C/C=C/c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1 24265057 JSGSECNSWNLRRI-SNAWJCMRSA-N 368.455 1.211 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 9447142 PLXXOYLNCOTNEI-GOSISDBHSA-N 359.382 1.441 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 9466375 QGKZGQNGQWOAQR-GOSISDBHSA-N 359.382 1.441 0 40 FDAB COc1ccccc1Oc1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1 72301012 VUOCJJBLQPABPM-UHFFFAOYSA-N 367.365 1.817 0 40 FDAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)Cc2ccco2)CC1 306127291 FUKUOIYXBYNRSB-UHFFFAOYSA-N 371.441 1.419 0 40 FDAB CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007538 FXVRWRKRFFVSEV-INIZCTEOSA-N 350.415 1.851 0 40 FDAB O=C(c1ccno1)N1CCO[C@H](c2nnn3cc(N4CCCC4)ccc23)C1 306132672 LPBWRBVHAQKYAI-INIZCTEOSA-N 368.397 1.531 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35426928 BAUVBXLDNZRGPD-FCLVOEFKSA-N 373.497 1.527 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375111 XTWMPYDVSJKONX-LDNFRZNASA-N 371.412 1.851 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355177 QDMIBSHSRCVDEK-MRXNPFEDSA-N 373.501 1.582 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)cc1OC 33925668 XHXGDIIRUDCLKQ-UHFFFAOYSA-N 360.414 1.460 0 40 FDAB CN1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3)c3nccnc23)C1 72391628 YXKCHTSGWLZSGK-INIZCTEOSA-N 364.453 1.604 0 40 FDAB CN1CCC(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 225826235 GWMIIRCGVSVQQC-UHFFFAOYSA-N 363.483 1.358 0 40 FDAB O=C(CN1CSCC1=O)NCCc1ccc(F)c(Br)c1 48375186 KOBYFVOIHLJPDO-UHFFFAOYSA-N 361.236 1.780 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 225280437 XTAHLAYGIUFZRC-GFCCVEGCSA-N 353.371 1.953 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)N1S(C)(=O)=O 96207104 MCKLTEBLXOIYCV-AWEZNQCLSA-N 356.444 1.325 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccnnc1)C2 96050273 FDJABMKPJLBGQS-IBGZPJMESA-N 369.400 1.179 0 40 FDAB Cc1ccnc(OC[C@@H]2CN(CC3CCOCC3)Cc3cncn3C2)n1 96220430 YLINTDCPFWWOFK-QGZVFWFLSA-N 357.458 1.919 0 40 FDAB Cc1nc(CN2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cs1 96062355 QTKLHQANQRTMRF-GOSISDBHSA-N 361.515 1.910 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)cn1 96059236 CPDVYCZDQQEOJO-SFHVURJKSA-N 352.442 1.860 0 40 FDAB COc1ccccc1C1=N/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)O1 98000624 MIBVVPSKTLTPFI-XNTDXEJSSA-N 352.346 1.904 0 40 FDAB CCn1nnc2c1CCN(S(C)(=O)=O)[C@@H]2COCc1ccccc1 96198504 HJGSTKSPZHUVGR-OAHLLOKOSA-N 350.444 1.374 0 40 FDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1F 580617087 BBRUCADYDPITPW-CQSZACIVSA-N 369.462 1.532 0 40 FDAB O=C(NCCCN1CCOCC1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96114489 LJYCTMRCWOYJIH-UHFFFAOYSA-N 356.426 1.464 0 40 FDAB biogenic CN1CC[C@]2(CN(c3ncccn3)CC23CCN(CC2CC2)CC3)C1=O 96036380 PHHXXBDAMUJMGK-FQEVSTJZSA-N 355.486 1.637 0 40 FDAB COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1 278900852 QZHAZOKWZGQBMB-ZFWWWQNUSA-N 361.435 1.169 0 40 FDAB O=S(=O)(CC[C@H]1CCc2ccccc21)N1CCN2CCOC[C@H]2C1 641420547 CDRBBGWCUXYZFF-IAGOWNOFSA-N 350.484 1.453 0 40 FDAB COC[C@H](CS(=O)(=O)N1CCN[C@@H](c2ccccc2Cl)C1)OC 1666242858 AJETWNWAEGYKPH-IUODEOHRSA-N 362.879 1.278 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CCC[C@H]1N(C)C)CC2 646011812 YSQJXSIYOWFQNU-IAGOWNOFSA-N 361.486 1.661 0 40 FDAB C[C@@H]1CCCCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)C1 648340042 KXUDCCBNBSKIFB-GFCCVEGCSA-N 354.428 1.312 0 40 FDAB CC(C)(C)n1nnc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)n1 659139885 WHVJLSQLJZHHEO-UHFFFAOYSA-N 353.766 1.797 0 40 FDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NC[C@H]1CCCN1c1cccnn1 673743574 VALQBIRZSINNPM-SNVBAGLBSA-N 354.336 1.926 0 40 FDAB Cn1ccnc1CN(C(=O)NCCC1=CCNCC1)[C@H]1CC12CCNCC2 1775960580 TWFYQMSGADTVFH-KRWDZBQOSA-N 372.517 1.384 0 40 FDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575403009 FMJMILIRWLAYFO-CYBMUJFWSA-N 364.352 1.896 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1 83882458 LTMBSLWHWNXQTF-HNNXBMFYSA-N 368.842 1.712 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H]3C[C@@]2(C(=O)O)[C@@H]3C)ccc1F 663291832 GKSGZTJNOOIVBB-OWCSCZDJSA-N 356.375 1.268 0 40 FDAB Cn1nccc1[C@@H]1C[C@H](NC(=O)NCC(=O)NCc2ccccc2)CCO1 1672770262 NDNPWIPUQWCGLY-WBVHZDCISA-N 371.441 1.256 0 40 FDAB COCCN1C(=O)CC2(CCN(Cc3ccccn3)CC2)n2nccc21 1772596511 NYOPQFXZFZJVAY-UHFFFAOYSA-N 355.442 1.653 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 5526422 JEOLWQPVXWMWMG-MMDVMMEASA-N 373.361 1.721 0 40 FDAB COCCn1c(=O)n(CC(=O)NCCc2ccccc2)c2cccnc21 12117581 QTHSKNAUCGFILP-UHFFFAOYSA-N 354.410 1.203 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 12143525 RBGIYULIJQRPRV-UHFFFAOYSA-N 371.437 1.907 0 40 FDAB COc1cccc(C2(O)CCN(CCNC(=O)C3CCOCC3)CC2)c1 12291066 QVYKSQPZXMOJGJ-UHFFFAOYSA-N 362.470 1.521 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccncc3)cnc21 13516863 SVXMMGHJEUEBJU-UHFFFAOYSA-N 354.414 1.450 0 40 FDAB CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1F)CC2 16986952 OHPCFRHSYHJXSG-UHFFFAOYSA-N 373.384 1.272 0 40 FDAB COCc1ccc(C(=O)N2CCc3nnc([C@H]4CCCN4C)n3CC2)cc1 19706335 SXDGTDUEWSLQNP-QGZVFWFLSA-N 369.469 1.890 0 40 FDAB COCCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)SCC2 16837347 XBPDSBUCJYKVDO-UHFFFAOYSA-N 369.512 1.643 0 40 FDAB C[C@H](Sc1nc2ccsc2c(=O)n1C)c1nc(N)nc(N(C)C)n1 26112830 NXNDZRHOCWRORQ-ZETCQYMHSA-N 363.472 1.682 0 40 FDAB CNS(=O)(=O)c1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 31748380 HMULFUWLYSYYGR-LBPRGKRZSA-N 351.255 1.795 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)on1 2037873597 ZCDAYCHBLYEGMN-SYNHAJSKSA-N 369.421 1.828 0 40 FDAB COCCN1CCCC2(CCN(C(=O)CCc3cncnc3)CC2)C1=O 1565550020 MRWQKHXRXPTDJP-UHFFFAOYSA-N 360.458 1.287 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1cccs1 10594607 WOTYQQKENCEDEM-UHFFFAOYSA-N 355.832 1.856 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 13794099 KJMCKDSCGCHNFZ-INIZCTEOSA-N 351.472 1.149 0 40 FDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)C2CCOCC2)CC1 2055751245 AGISQYQRCVPPAC-UHFFFAOYSA-N 359.470 1.975 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1cnccn1 2055739283 PLCIBQRSGINZLT-LLVKDONJSA-N 367.365 1.275 0 40 FDAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1cccs1)CSC2 23138933 MMCOWPRDVKOWKN-UHFFFAOYSA-N 366.468 1.706 0 40 FDAB O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 15905299 UROUHZNCYQHZAL-NHAYFPRASA-N 353.422 1.422 0 40 FDAB CC(C)N(CCCNC(=O)NCc1cccc2c1OCO2)S(C)(=O)=O 50113815 FXBDKESRANPIPT-UHFFFAOYSA-N 371.459 1.275 0 40 FDAB CCOC(=O)c1cc(CC)sc1NC(=O)C[C@H]1SC(=N)NC1=O 2484564 APXUQHGXSMWLMY-SECBINFHSA-N 355.441 1.982 0 40 FDAB CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 1642999 ZVWIAQOLLNVEGA-YOEHRIQHSA-N 353.422 1.278 0 40 FDAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCN3CCOCC3)ccc12 20533567 UBWXWRUPFCXSJG-HNNXBMFYSA-N 374.437 1.626 0 40 FDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)OCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 3843350 PDZQDZYDKNSOJM-IGQOVBAYSA-N 370.398 1.855 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccccn1 4935359 YZXWPYUVGSJDLC-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB COc1ccccc1NC(=O)c1nnn2c1[nH]c(=O)c1cc(F)ccc12 20721053 WDLYFORIKJKNQZ-UHFFFAOYSA-N 353.313 1.971 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Br)o1 6322511 BYTIBYONHMANMM-UHFFFAOYSA-N 373.184 1.998 0 40 FDAB CCc1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 7724125 KSGNMTVWFOFJHL-CYBMUJFWSA-N 363.439 1.353 0 40 FDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1snnc1C)CC2 108532536 XBOGQQWTUOXPKS-UHFFFAOYSA-N 352.460 1.338 0 40 FDAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 10153616 LVDBQCWQBSHJMI-LBPRGKRZSA-N 360.439 1.610 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C(C)C)cc1 2643145 PKOOZBKGVISYJR-CYBMUJFWSA-N 350.415 1.519 0 40 FDAB CC(C)C(=O)Nc1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 32895871 PNZDYULFXVBQOW-KBPBESRZSA-N 369.487 1.725 0 40 FDAB COC[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 83897915 JYYATRNIPVWYDP-CABCVRRESA-N 362.451 1.213 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1cncn1 32976445 WQFQQSCFCHAPTE-UHFFFAOYSA-N 352.192 1.104 0 40 FDAB CC(=O)c1nnn(-c2ccc(F)cc2)c1NCCCN1CCN(C)CC1 22585219 NPCAJLXGCRYBBW-UHFFFAOYSA-N 360.437 1.658 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CCn1c(C)csc1=O 22372580 YQUCZOCQWFJBRA-UHFFFAOYSA-N 350.396 1.799 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC[C@H](C)C1 37458134 MIDVFTUCVQQEEO-XJKSGUPXSA-N 351.472 1.136 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3C(=O)c2ccco2)n1 100147601 MNDPGJPUOFDYAR-HUUCEWRRSA-N 357.410 1.733 0 40 FDAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1OC 12416582 MHTMRPDQYKZAMQ-HNNXBMFYSA-N 359.386 1.931 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccc3O)CC1)C2=O 23642022 JFKDKBVZEFWTJF-FOIQADDNSA-N 372.469 1.972 0 40 FDAB Cn1c(=O)c2cc(NC(=O)c3ccc4c(n3)CCCC4)cnc2n(C)c1=O 89745397 HGVLWLVAJUAORD-UHFFFAOYSA-N 365.393 1.158 0 40 FDAB NC(=O)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 24774323 KZENVQHOQBZXSJ-UHFFFAOYSA-N 362.449 1.062 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(C(C)C)CC1 25137390 CGDSENBYZWVSCF-UHFFFAOYSA-N 365.499 1.602 0 40 FDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(N2CCNC2=O)cc1 56953310 HLJCUZGTSBQGAX-INIZCTEOSA-N 355.398 1.844 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57478728 DHVHGZNLJFMGTQ-UHFFFAOYSA-N 371.462 1.994 0 40 FDAB CCOC(=O)/C(=N\Nc1ccc(Br)cc1)N1CCN(C)CC1 12692971 IAKIYVASBSOOKK-NBVRZTHBSA-N 369.263 1.985 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)c2ccc[nH]2)cc1 7736132 QYQFOAFEFDJSDB-UTSBKAFOSA-N 356.378 1.967 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccn(-c3ccccc3)n2)c1 58227654 SYCHQWUSJHHLHU-UHFFFAOYSA-N 358.423 1.333 0 40 FDAB COc1cc(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1SC 58283654 ILDGDAXTFDWTMQ-ZDUSSCGKSA-N 372.512 1.993 0 40 FDAB CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3320840 HHMUBBRUJQMDON-UHFFFAOYSA-N 368.455 1.544 0 40 FDAB O=C(CN1CCN(C(=O)COc2ccccc2)CC1)Nc1cccc(F)c1 12780588 HURHSDHAIVGLMX-UHFFFAOYSA-N 371.412 1.987 0 40 FDAB C[C@@H](CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1 48362847 YWWKIIRMCFZPBG-AWEZNQCLSA-N 353.422 1.712 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C(N)=O)cc1 12926299 CVAJRPKGFCDLBY-UHFFFAOYSA-N 356.334 1.368 0 40 FDAB Cc1ccccc1N(CCCC(=O)N1CCN(C)CC1)S(C)(=O)=O 113968280 NZWFOUAILYEDKR-UHFFFAOYSA-N 353.488 1.315 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc[nH]c2=O)c1 13003090 VCOXBHMIUUPKGB-UHFFFAOYSA-N 365.411 1.363 0 40 FDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2nnc3n2CCC3)c1 13252539 IEQICMKNIRPSJH-UHFFFAOYSA-N 356.791 1.054 0 40 FDAB C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 63580180 SCNZJSSPPKKTJJ-JOYOIKCWSA-N 356.220 1.406 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1C(=O)NC1CC1)CS2 14198518 BDWIGOTZIKEYFE-KBXCAEBGSA-N 359.451 1.971 0 40 FDAB COc1ccnc(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 14139524 VVTUVLKNOLNGCW-UHFFFAOYSA-N 354.457 1.494 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1nc2ccccc2s1 14125311 KMANOVVVXSVQIT-GFCCVEGCSA-N 356.407 1.510 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 5472067 DQUCHHJMNZMETL-QGZVFWFLSA-N 365.389 1.920 0 40 FDAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N2 6502371 YQSPFNYWEAEIPU-GOSISDBHSA-N 374.418 1.779 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1nnc(-c2ccccc2)n1 7279626 RMUIMHJASRJHAD-UHFFFAOYSA-N 365.393 1.770 0 40 FDAB O=C(NCc1ccc(F)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842452 MOJRUMKSHZJANW-UHFFFAOYSA-N 362.382 1.822 0 40 FDAB CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 8944524 KJSZSDIZTBXBPI-UHFFFAOYSA-N 361.261 1.692 0 40 FDAB COc1cc(CNCCO)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 9484311 LBBOCRRVHWKJIA-UHFFFAOYSA-N 371.437 1.547 0 40 FDAB Cc1cc(=O)[nH]c([C@@H](C)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 84114335 ZWXXDCOIWDPOSI-CYBMUJFWSA-N 360.462 1.638 0 40 FDAB Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 94870486 XJGYIGVUFHMCHA-ZETCQYMHSA-N 354.247 1.914 0 40 FDAB CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 95456698 WNQWQNLOCQHWDP-CABCVRRESA-N 352.479 1.145 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(C)C)C2)c1 95994547 YUZPKXFQYRQEPY-MRXNPFEDSA-N 354.472 1.870 0 40 FDAB Cc1cc2c(N3CCN(C(=O)c4c[nH]cc(C)c4=O)CC3)ncnc2s1 547751116 KAHJZJZRGHIIHE-UHFFFAOYSA-N 369.450 1.959 0 40 FDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cc(C)nn2C)cc1 67896318 DZSCYLXSYFVSEL-SJLPKXTDSA-N 372.425 1.262 0 40 FDAB biogenic,in-vitro C[C@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 408497881 KCTHHYZZSWLWRO-CMPLNLGQSA-N 364.423 1.544 0 40 FDAB COC(=O)c1c(NC(=O)[C@]2(C)Oc3ccccc3N=C2O)c(C)nn1C 36359593 WVHJIKRDBHEKPB-QGZVFWFLSA-N 358.354 1.893 0 40 FDAB O=C(NCc1ccccc1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 75156551 XSYZSJWYYFWNCC-UHFFFAOYSA-N 351.366 1.734 0 40 FDAB CC(=O)N1CCN(Cc2cccnc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355082 YOTPFZIMBQLIBQ-GOSISDBHSA-N 368.485 1.461 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1cc(C)oc1C 1565520296 MEHSMBFQNQPSPN-LLVKDONJSA-N 359.425 1.756 0 40 FDAB Cc1cc(C)c(Oc2nc(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)cc2F)c(C)c1 43771792 FZZVOLZHJPLLQT-RRFJBIMHSA-N 364.373 1.741 0 40 FDAB CCN1CCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 224401074 NJNMVHGDEPACRJ-UHFFFAOYSA-N 373.906 1.266 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cn1 220872534 SEJKAPDJCAZXLL-ZDUSSCGKSA-N 365.397 1.720 0 40 FDAB COc1cc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc(OC)c1OC 40267184 RFTLUIBHNDKICC-MRXNPFEDSA-N 369.381 1.927 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 44394661 JYZAXBXZTJXIFR-VMPITWQZSA-N 352.438 1.409 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 514290149 UOAUXLAXILLJDA-LEWJYISDSA-N 364.493 1.587 0 40 FDAB biogenic,in-vitro CC(=O)N1c2ccc(S(=O)(=O)NCCc3ccn(C)n3)cc2C[C@@H]1C 331568160 DHGHUOVWVDVPGM-LBPRGKRZSA-N 362.455 1.239 0 40 FDAB COc1ncccc1C(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099522 LFSOFKDPGSIUPK-UHFFFAOYSA-N 364.423 1.903 0 40 FDAB Cc1cnc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 96158971 UUQMSQXTCVVFCK-UHFFFAOYSA-N 354.414 1.087 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C)[nH]n1 96237677 NQIYDCTXLBMWFL-KRWDZBQOSA-N 359.455 1.343 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 245171708 XQVYUCXTJHUICK-CQSZACIVSA-N 362.407 1.905 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@@H](C[C@H](C)C(=O)O)C2)c1 585091630 WUAKKBUEAFKKLR-STQMWFEESA-N 368.455 1.605 0 40 FDAB CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@@]12C 257348208 CEOUYEBWMNZTMV-PECKBWEZSA-N 366.498 1.797 0 40 FDAB O=S(=O)(c1c(Cl)nc2sccn12)N1CCC[C@@]2(CCNC2)C1 67673287 GKNAYANMJMJETG-ZDUSSCGKSA-N 360.892 1.813 0 40 FDAB CN(CCN(C)C(=O)c1csc(-c2ccoc2)n1)C(=O)Cc1nc[nH]n1 1775986813 DEOIKLMNZDPWNS-UHFFFAOYSA-N 374.426 1.294 0 40 FDAB Cn1cnc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c1 575406102 VSVHGIWWMUPBCW-AWEZNQCLSA-N 351.472 1.563 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)C2CCC2)CC3)cn1 585096229 BRJJWBYOUOKPGQ-ZDUSSCGKSA-N 368.441 1.615 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108660 RUPQINMZAQKWTQ-XHSDSOJGSA-N 361.417 1.596 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@H]2COCC(=O)N2Cc2cccs2)n1 85472516 PYZIHROSZFCWEO-OAHLLOKOSA-N 362.455 1.105 0 40 FDAB CC(C)(O)CC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615120315 KBDXYDVNCBDIPU-FQEVSTJZSA-N 360.454 1.962 0 40 FDAB C[C@@H](CC(=O)N1CCc2c(ncn2C)C12CCOCC2)N1CCCCC1=O 1615591204 RGMDYICNAJNLOA-HNNXBMFYSA-N 374.485 1.602 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C)s3)CCN2C12CCOCC2 1772595328 MTYPLQSIUPFIGU-CQSZACIVSA-N 363.483 1.552 0 40 FDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(c2ncccn2)CC1 5825426 IUPOVBKFWBDXKF-UHFFFAOYSA-N 364.409 1.308 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCCC[C@H]1CN1CCOCC1 19345648 ACMSZIUYLWZNEL-KRWDZBQOSA-N 360.454 1.714 0 40 FDAB COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19569703 MHEZESNNMODDBS-OAHLLOKOSA-N 352.438 1.690 0 40 FDAB CN1CCC2(CC1)CN(CC(=O)N1CCCC1)C(=O)c1ccccc1O2 19588378 BCUUKCYLHSULLA-UHFFFAOYSA-N 357.454 1.608 0 40 FDAB Cc1[nH]c2c(C)cccc2c1CN1CCC(C(N)=O)(N2CCOCC2)CC1 19659093 YZUWPQUIWOXWFH-UHFFFAOYSA-N 370.497 1.937 0 40 FDAB O=C(CCN1CCCS1(=O)=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 516618366 KRKLSKYRVIQRCD-ZWNOBZJWSA-N 360.838 1.877 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 643431499 MNUCSPZBWRSTPA-MDZLAQPJSA-N 357.815 1.154 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(N2C(=O)CNC2=O)CC1 253400311 LDJFJLFQDCSBBS-UHFFFAOYSA-N 369.343 1.791 0 40 FDAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1 1888866681 IBODKMNJDVVACO-ZDUSSCGKSA-N 351.432 1.215 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)c(C)o1 1888879686 XTPNGDWYNAUOID-KBPBESRZSA-N 366.425 1.782 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cs1 1888900824 KVLNAXBWQJCNBX-TXEJJXNPSA-N 355.427 1.098 0 40 FDAB O=c1c2cnc(N3CCSCC3)nc2nc(O)n1Cc1ccccc1F 888107056 UKKCLQKWBPRFKR-UHFFFAOYSA-N 373.413 1.633 0 40 FDAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccoc1 1565545456 FZEOEGXBYBWHCA-MRXNPFEDSA-N 352.362 1.133 0 40 FDAB CN(C)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 947816 AERIMUBSDFJCHT-CQSZACIVSA-N 350.465 1.952 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)CC3=CCCCC3)CC[C@@H]2C1 2055729973 KNVACRLFSNKDIR-HZPDHXFCSA-N 356.488 1.386 0 40 FDAB COc1cc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cc(OC)c1 2055771546 HBNXBSGFRKNBOP-HXUWFJFHSA-N 372.469 1.980 0 40 FDAB O=C(Cc1ccccc1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731600 ITCHHQLQRZNYOX-JKSUJKDBSA-N 355.438 1.457 0 40 FDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)o2)s1 35597509 FEOFOYIFCPBFPT-VIFPVBQESA-N 372.428 1.149 0 40 FDAB O=C(NCc1cccnc1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670608 XEUOHBFJADDXHR-CYBMUJFWSA-N 353.382 1.180 0 40 FDAB CC1CCN([C@H](CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)C)CC1 40090774 UFPAMUHFVFNPJA-IAGOWNOFSA-N 373.563 1.531 0 40 FDAB CCc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H]3C(N)=O)CC2)cc1 40150924 GQPBTWWOYIUBMU-KRWDZBQOSA-N 357.454 1.578 0 40 FDAB COc1ccccc1OCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 31359001 CXZFLNPPELJOOD-UHFFFAOYSA-N 355.350 1.034 0 40 FDAB CCN(C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O)C1CCCCC1 36773240 COUJIPVPSDKLJO-UHFFFAOYSA-N 353.419 1.041 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 36701235 WISPXFGQKAUYTO-QGZVFWFLSA-N 369.396 1.947 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](C)C2)c1 11454844 DULVOWJGHANXIA-CQSZACIVSA-N 354.472 1.886 0 40 FDAB OC[C@@H](O)[C@H](O)[C@@H](O)C(Sc1ccccc1)Sc1ccccc1 4974713 KSOONRGIPJUSRL-OWCLPIDISA-N 352.477 1.972 0 40 FDAB Cc1cc(C)nc(SCC(=O)OCC(=O)NC(=O)c2cccn2C)n1 7737390 IOWDMYHHOFKBJP-UHFFFAOYSA-N 362.411 1.024 0 40 FDAB CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 20921655 ZPZJVCXRMZZWCS-UHFFFAOYSA-N 367.471 1.646 0 40 FDAB CN(CC(=O)N[C@H]1COc2ccccc2C1)S(=O)(=O)c1ccccc1 53046207 YHHJHPBRPYMULM-OAHLLOKOSA-N 360.435 1.427 0 40 FDAB CCCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737926 XFRLOJXJKFHZFX-QZTJIDSGSA-N 371.485 1.716 0 40 FDAB Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 107739427 GFSOFHKBUVMSHM-UHFFFAOYSA-N 367.361 1.850 0 40 FDAB COC(=O)C1CCN(C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)CC1 60166377 KPYJYUQYXWYQRN-UHFFFAOYSA-N 361.377 1.199 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 102848795 SOGBUEKHMJHDBW-ZIAGYGMSSA-N 358.394 1.962 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC(=O)N(C2CC2)C1=O 103022615 IPTIFLHVHRMBLB-CYBMUJFWSA-N 365.817 1.509 0 40 FDAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2cnn(C)c2C)n2ncnc2N1 6921769 XEKCHXMUFMLBFP-KRWDZBQOSA-N 363.425 1.925 0 40 FDAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 53665284 ADQWYMHSOKZLDH-LLVKDONJSA-N 359.831 1.299 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCc3ccccc32)CC1 22799839 LQHHKMYRGAYDQU-UHFFFAOYSA-N 372.513 1.498 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 22912487 BWSOCCREAZUCCQ-SFHVURJKSA-N 372.513 1.870 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H]1CCCO1 23199909 JVLXBHXKYDXQMV-LLVKDONJSA-N 371.363 1.988 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCn3nc(C)cc3C)n2)cc1OC 12389208 VCYGZAIFEVWRDH-UHFFFAOYSA-N 371.397 1.997 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 58425317 MDICOSFQHXPXBK-LLVKDONJSA-N 368.427 1.519 0 40 FDAB CC1CCN(CCCNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 105765172 ILXKRUZKEDJTEO-CWLKWCNXSA-N 359.470 1.032 0 40 FDAB COCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24608099 XKJLKDBVSHKKSC-UHFFFAOYSA-N 364.398 1.764 0 40 FDAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(-n2cncn2)nc1 24894413 MAVLVADVILXALI-UHFFFAOYSA-N 351.326 1.877 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)c1C 24436549 MPPNVOUQDWZCNI-UHFFFAOYSA-N 374.528 1.576 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)/C=C/c2cccnc2)c1 25729252 ZTOXDBAZRPMJHD-BQYQJAHWSA-N 359.451 1.806 0 40 FDAB O=C1c2cc(Br)ccc2S(=O)(=O)N1CCCn1ccnc1 47880067 TYYRAIVVBSLGEX-UHFFFAOYSA-N 370.228 1.880 0 40 FDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCCN(c2cccnn2)C1 109071344 KZFGHWXPLSRFCG-MRXNPFEDSA-N 371.489 1.114 0 40 FDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 58168000 JCQWUBKARLSRBJ-LPHOPBHVSA-N 363.433 1.686 0 40 FDAB CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CC(=O)OC 58195366 XLLDLZQGMQWDHY-SNVBAGLBSA-N 350.396 1.613 0 40 FDAB CNC(=O)c1ccc(C(=O)NS(=O)(=O)[C@@H]2CC3CCC2CC3)cn1 408494793 NLKSOIPIKBOQDD-QIMFLAQGSA-N 351.428 1.080 0 40 FDAB CC(C)CCC(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 58160242 NKCXDHNXLBYFOR-UHFFFAOYSA-N 372.469 1.937 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](COCc3ccccn3)CCN2C)C1 306137822 RHIGCWSYNQPVKO-MRXNPFEDSA-N 367.515 1.734 0 40 FDAB O=C(CN1CCC[C@H]1c1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 58345317 JLMATUYZJVAPKK-DOMZBBRYSA-N 356.875 1.780 0 40 FDAB NC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1 2212677 CDKIYZKBQJHDGX-AWEZNQCLSA-N 368.418 1.209 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H]1c1ccc[nH]1 48353526 OFSXHFPXDROHET-INIZCTEOSA-N 352.394 1.772 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 12977363 SIGLVVHLBLKLDH-CYBMUJFWSA-N 371.393 1.852 0 40 FDAB C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13015956 SLCRQYMIDPIMTB-LLVKDONJSA-N 359.407 1.598 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)OCc1cc(=O)n2ccccc2n1 15747990 MOBQNBUFGYMUCM-UHFFFAOYSA-N 352.346 1.752 0 40 FDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 5000097 ZOHMVWNRACWFNS-UHFFFAOYSA-N 353.378 1.025 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCCOc1ccc(F)cc1 4278079 VKGSPOIQXLQCIP-UHFFFAOYSA-N 358.325 1.451 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 14134951 DJZIQJASWAALNQ-OAHLLOKOSA-N 364.467 1.884 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)no1 5427809 LPDDADHCZAIKHF-UHFFFAOYSA-N 374.321 1.775 0 40 FDAB CCc1ccc2nc(NC3=NC[C@H](CC(=O)OC)C(=O)N3)nc(C)c2c1 22607710 AHTFEBDUNMLQTC-LBPRGKRZSA-N 355.398 1.578 0 40 FDAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 9862449 FLXXXWYLIRGCCV-UZLBHIALSA-N 373.453 1.872 0 40 FDAB Cc1csc2nc(COC(=O)c3ccccc3NCCO)cc(=O)n12 9162837 XSHNOTMLTGCQMK-UHFFFAOYSA-N 359.407 1.826 0 40 FDAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2N2CCOCC2)n1 9236345 NEMWRBZCBIAVPV-UHFFFAOYSA-N 360.439 1.646 0 40 FDAB COc1ccc(Nc2nc(C(=O)NCCN3CCOCC3)cs2)cc1 72293074 PSTBCXQYAZKADO-UHFFFAOYSA-N 362.455 1.957 0 40 FDAB CCCNC(=O)C[C@H](C(N)=O)N(CCC)C(=O)c1cccc(COC)c1 97377530 QYVILSOVAPWLCL-MRXNPFEDSA-N 363.458 1.455 0 40 FDAB CCC(CC)[C@@H](C(=O)NCCCOC[C@@H]1CCOC1)N1CCOCC1 95401914 OFFLDQVGDJOBDP-WMZOPIPTSA-N 356.507 1.683 0 40 FDAB COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 95473971 NXOJITJASLIKSP-ZDUSSCGKSA-N 363.439 1.240 0 40 FDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1cccnc1 95479729 QTIPISAZICJLPK-INIZCTEOSA-N 352.394 1.455 0 40 FDAB O=C(NCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1 60805777 HBCMKVRXFLRMSE-UHFFFAOYSA-N 364.810 1.915 0 40 FDAB CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)c1noc(C)n1 75091889 KSLCKFLFGYOQSF-GFCCVEGCSA-N 350.404 1.398 0 40 FDAB Cc1nc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cs1 306136997 QIPNBKFGOZLYLN-AWEZNQCLSA-N 355.489 1.144 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCC3)c2c1 32102962 UTRGMEZMAYZRFM-RTRPANQVSA-N 357.366 1.969 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217643773 CSDPXMMYRAEUFC-GFCCVEGCSA-N 374.459 1.537 0 40 FDAB COc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccn2)CC1 71282764 OATLFFXDGHTATM-GOSISDBHSA-N 357.454 1.648 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 72374578 IKAZWKABHVZPHJ-AWEZNQCLSA-N 370.453 1.528 0 40 FDAB O=C(Nc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1)c1ccco1 32893066 ZEONKWCVEITSPQ-CYBMUJFWSA-N 362.407 1.583 0 40 FDAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCN(c2cnccn2)CC1 46957064 FCPKKDAFYHCPET-QGZVFWFLSA-N 366.469 1.835 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 229943272 YENWSLMVIZNSGK-DEXNDLTESA-N 360.410 1.138 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@@H]2C)n1 225878754 PAANICWRMRZCPC-LBPRGKRZSA-N 350.492 1.608 0 40 FDAB COC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 224878018 GLBOLKGTQXBTAR-UHFFFAOYSA-N 362.407 1.732 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 222988890 CRRMKYPAOIIXRH-UHFFFAOYSA-N 358.416 1.843 0 40 FDAB O=C(O)[C@@H](Cc1ccc(I)cc1)N1CCOCC1 225144774 DMORDPLOLBDYQL-GFCCVEGCSA-N 361.179 1.619 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220697286 AHEAIZASHOQNKJ-ZDUSSCGKSA-N 370.388 1.949 0 40 FDAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223189084 YTSMFKGXAMZWLP-IBGZPJMESA-N 358.413 1.894 0 40 FDAB O=C(Cc1cccs1)N1CCc2nnc(COc3cncnc3)n2CC1 96259208 XGWRTDNWECZBAL-UHFFFAOYSA-N 370.438 1.336 0 40 FDAB COc1ccccc1CC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257280128 OJNWZFRJFASIOL-LJQANCHMSA-N 356.426 1.128 0 40 FDAB Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc1C 583619624 MWYWQPWEPOJVIA-MAUKXSAKSA-N 356.474 1.948 0 40 FDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)COc2cccnc2)n1 257240763 HVCIUMJCNFFDMP-OAHLLOKOSA-N 357.414 1.225 0 40 FDAB O=C(Cc1ccncc1)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257272707 NDMLYGPUUUEPQQ-PSBWJHGTSA-N 360.385 1.211 0 40 FDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)c(C)n1 257343614 ZTSGASGGMOAKCZ-HZPDHXFCSA-N 359.382 1.174 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C)ncc1CN(C)C 257298437 RLPLFPSEGDPEKU-HNNXBMFYSA-N 355.508 1.570 0 40 FDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260764522 JMBDEADZIVDXGL-ZYHUDNBSSA-N 362.398 1.415 0 40 FDAB NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)c2ccccc2F)c1 604406173 XHSKINOUOXJVNW-UHFFFAOYSA-N 362.379 1.091 0 40 FDAB Cn1cc(-c2noc([C@@H]3CCc4nnn(C5CCC5)c4C3)n2)c(O)nc1=O 1775960240 ANYHKYGYVGQRTA-SECBINFHSA-N 369.385 1.125 0 40 FDAB O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cccc2ccoc12 643770550 MVMRVDJOJHVLBC-ZNMIVQPWSA-N 350.440 1.699 0 40 FDAB COc1cccc([C@](C)(CC(=O)O)NC(=O)c2ccc3c(n2)OCCO3)c1 656250527 GZGCYLQFBAHKTK-IBGZPJMESA-N 372.377 1.981 0 40 FDAB O=S(=O)(c1cccnc1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585277441 UOYQITPJGOUXRQ-RHSMWYFYSA-N 350.415 1.835 0 40 FDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCC1CCN(Cc2ccccc2)CC1 63081123 IDXYIRAOKKGTFS-INIZCTEOSA-N 358.442 1.003 0 40 FDAB C[C@@H](O)c1cccc([C@@H](C)NCCCN(CCCN)CCN(C)C)n1 68606236 RKLOQNYOPIWXFS-IAGOWNOFSA-N 351.539 1.388 0 40 FDAB biogenic CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc(Cl)sc1Cl 1616045018 UFZUIHBZOUVYND-JGVFFNPUSA-N 373.283 1.666 0 40 FDAB CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 5053044 AUGQEEXBDZWUJY-TVRUUFEMSA-N 366.410 1.125 0 40 FDAB in-man CC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O 12117397 RHNVOEISNCGAAN-UHFFFAOYSA-N 355.373 1.760 0 40 FDAB CN1C[C@H](C(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)CC1=O 12187137 MLLBNFQYWBLZBL-MRXNPFEDSA-N 355.482 1.777 0 40 FDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 12366170 CRRYRFUXSBNMAT-GDBMZVCRSA-N 366.483 1.163 0 40 FDAB CC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 15554655 TTYSJLBJDKCBKP-UHFFFAOYSA-N 351.362 1.921 0 40 FDAB O=C1NC[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 19374699 IBPJLJJEHAJPCW-FQEVSTJZSA-N 371.437 1.183 0 40 FDAB CC1CCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1 19496873 SMUISKLNNOUQHS-MRXNPFEDSA-N 357.502 1.560 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(Cc3ccnc(N4CCCC4)n3)C[C@H]21 19576665 FPJLPGHQSHZXNM-PBHICJAKSA-N 366.469 1.630 0 40 FDAB O=C(NCCS(=O)(=O)N1CCCC1)c1cc(-c2ccc(F)cc2)no1 19655950 PKLQWCIPPOFXIC-UHFFFAOYSA-N 367.402 1.636 0 40 FDAB NC(=O)NC1(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 157206945 YEVVXIFALNGVPC-UHFFFAOYSA-N 370.375 1.551 0 40 FDAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(N)=O)c12 3641837 UVUCFYUGZXCNLG-ZSOIEALJSA-N 356.451 1.767 0 40 FDAB COc1ccccc1N1CCN(CCNC(=O)NC[C@@H]2CCCO2)CC1 225551711 YDVQAWQSPBETSY-INIZCTEOSA-N 362.474 1.295 0 40 FDAB CC(=O)N1CC(C(=O)N2Cc3ccccc3NCC[C@@H]3CC[C@H](C2)N3C)C1 643588803 LQNBBTCSPUEPGX-RBUKOAKNSA-N 370.497 1.772 0 40 FDAB CCc1ccccc1N1C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)O)C1=O 16899727 QAGMTQJEGQWSIB-JSGCOSHPSA-N 364.423 1.203 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccccn3)o2)cn1 19525048 GKJOUSCPNIOZMH-AWEZNQCLSA-N 374.426 1.874 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4ccn5nccc5n4)C[C@@H]3C2)c1F 1888891001 QSHZPDBXPDBATI-CHWSQXEVSA-N 353.405 1.793 0 40 FDAB CC(C)NC(=O)CN1CCN(Cn2nc(NC(C)C)sc2=S)CC1 23249340 VRHFEHXQZYYPAG-UHFFFAOYSA-N 372.564 1.594 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2ccc(F)cn2)C1)c1ccc2nc[nH]c2c1 2037849832 SEKSOUXLTMGUJO-LJQANCHMSA-N 369.400 1.858 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@H]2O1 1565545348 FZZMINULOORQRF-TUKIKUTGSA-N 368.380 1.947 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]2O1 1565548042 QEXFBBAYMCGANR-VUCTXSBTSA-N 361.417 1.438 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCCN(c2ccc3nncn3n2)CC1 1565523184 HFOCMSRPHWRVDY-UHFFFAOYSA-N 353.386 1.342 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@H]32)CC1 1565551931 MFCNEPUKHUHGNM-LNSZTPPCSA-N 368.481 1.703 0 40 FDAB Cc1nnc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)s1 12440159 KABWWZZIPNLDHP-UHFFFAOYSA-N 361.431 1.537 0 40 FDAB COc1cccc(CN[C@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)c1 2055732379 FXNPDMQSCKEVJU-JKSUJKDBSA-N 357.454 1.897 0 40 FDAB CS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055738994 GEAPHXPFCICCSX-UHFFFAOYSA-N 355.435 1.310 0 40 FDAB Cc1cc(C)cc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c1 22997018 POEVGBJSGVRHGC-KRWDZBQOSA-N 363.458 1.397 0 40 FDAB CN1c2ccc(F)cc2N(CCNC(=O)Cc2ccsc2)S1(=O)=O 575613613 VKMDULJPDWGGAM-UHFFFAOYSA-N 369.443 1.747 0 40 FDAB Cc1cc(=O)c(O)c(CN2CCN(c3nc4ccccc4n3C)CC2)o1 96118068 UWKYCMDAHBKPDN-UHFFFAOYSA-N 354.410 1.863 0 40 FDAB CC(C)NC(=O)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241563 HKRPTQHYJDISON-NWANDNLSSA-N 358.446 1.582 0 40 FDAB NC(=O)CC[C@H](NC(=O)CCc1cccc(Br)c1)C(=O)O 37411336 MCLMYGRXOFQJGX-NSHDSACASA-N 357.204 1.217 0 40 FDAB CCCn1nc(C(=O)Nc2cccc(-n3nnnc3SC)c2)ccc1=O 40068506 PWKOBHINLHQFAW-UHFFFAOYSA-N 371.426 1.603 0 40 FDAB O=C(CN1CCN(C(=O)Cc2cccs2)CC1)NCc1ccccc1 30713446 XAGDYEVNENCHNK-UHFFFAOYSA-N 357.479 1.751 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)cc1 31544474 VHQDVMWDSXGYCY-LBPRGKRZSA-N 365.393 1.922 0 40 FDAB CCN(CC)C(=O)c1c(N2CCOCC2)cc(N(CC)CC)oc1=O 1634555 OKAXQLYZCFNJIQ-UHFFFAOYSA-N 351.447 1.805 0 40 FDAB O=S(=O)(O)CCCOc1ccc(OCCCS(=O)(=O)O)cc1 3033031 QLXNXXHEKAAVFV-UHFFFAOYSA-N 354.402 1.000 0 40 FDAB CC[C@@H](c1ccncc1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101208806 FIDQPCJQNVSDMJ-FTAMUGHTSA-N 353.422 1.798 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 101359645 DJQTYOPQIZTKNN-DRMAHVMPSA-N 357.362 1.093 0 40 FDAB COc1ccc(CCNC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 7305011 IMAPYPDGCBMOSH-UHFFFAOYSA-N 367.405 1.923 0 40 FDAB biogenic Cn1c(SCc2noc(C(C)(C)C)n2)nnc1[C@@H]1CCS(=O)(=O)C1 32778949 VSYSELYGYMRBIZ-SECBINFHSA-N 371.488 1.690 0 40 FDAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC(=O)c1ccccc1 8656491 OEADXUJMIQJKMV-SFQUDFHCSA-N 366.373 1.663 0 40 FDAB Cc1cc(C)n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nnc2n1 2662249 HWMGDEZGUZRLGZ-UHFFFAOYSA-N 369.410 1.642 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCOC[C@@H]1CCCO1 100217265 NTBFBSRAXVOIKS-JPZWVBCYSA-N 372.421 1.386 0 40 FDAB COc1ccc([C@H]2N=C(N)N=C(N)N2c2ccccc2OC)cc1OC 3076373 KFYMGFXGGWZEQJ-INIZCTEOSA-N 355.398 1.861 0 40 FDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCCN1C(=O)c2ccccc2C1=O 60707687 NXEAZATWQADJKH-UHFFFAOYSA-N 369.377 1.406 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1cccc(F)c1 100033339 WOZWBXINCJVZTD-HOTGVXAUSA-N 367.340 1.758 0 40 FDAB CN1CCN(C[C@H](O)COCCOc2ccccc2Br)CC1 22585136 ADJPNXBEWMCRAF-AWEZNQCLSA-N 373.291 1.453 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(C(=O)C2CC2)CC1 25169360 WKAPDWKNPPICQV-AWEZNQCLSA-N 353.422 1.582 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCNC(=O)C(C)(C)C 25452577 CDLICJNEOBDLRV-UHFFFAOYSA-N 358.442 1.824 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 12552620 KQAXLFGLIHHJMR-UHFFFAOYSA-N 359.407 1.713 0 40 FDAB Cc1oc(C(=O)NC[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1 108331418 HOTSVOVFYALINK-CQSZACIVSA-N 369.487 1.444 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccsc2)CC1)NCc1ccccc1 27129307 PJFVPIJGRCLXJQ-UHFFFAOYSA-N 357.479 1.751 0 40 FDAB COC(=O)CCN1CCN(C(=O)/C=C/c2ccc(C(=O)OC)cc2)CC1 58191641 KHZAWYQBYZQNNC-VMPITWQZSA-N 360.410 1.194 0 40 FDAB O=C(CSc1nnc2ccccn12)N[C@@H](Cc1ccccc1)C(=O)O 3330928 FUHZLXODBHCOAP-ZDUSSCGKSA-N 356.407 1.634 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn21 306135153 OJJMNFUVSIYXQR-MUBLQREKSA-N 366.468 1.091 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2CCCN(C(C)=O)C2)cc1 58215612 PPZPJPLRJAJPOT-MAUKXSAKSA-N 373.453 1.883 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccc(C(N)=O)cc1 10422539 DPADNEHBDHDLDA-AWEZNQCLSA-N 354.428 1.033 0 40 FDAB Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 28195165 CXPSCTULCFKMEG-UHFFFAOYSA-N 355.366 1.975 0 40 FDAB COc1ccccc1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1nccn1C 48290713 GFXUTWPMRYYLCP-INIZCTEOSA-N 353.382 1.042 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 81088572 USVMKWTUQVYUIU-INIZCTEOSA-N 356.426 1.241 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc2ccccc2c1 12849673 REHCXKRSVGDRHB-UHFFFAOYSA-N 355.438 1.943 0 40 FDAB CS(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 8050957 HYGXSDBCUFUJGB-GFCCVEGCSA-N 363.457 1.951 0 40 FDAB Cn1ncnc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 91185864 BWLQWJPXNPBYCP-LLVKDONJSA-N 350.373 1.879 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC1CCCC1)O2 64988426 CNDVUNUYIGZETN-INIZCTEOSA-N 352.456 1.971 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 8273172 QQXJYFRIPUXUMJ-UHFFFAOYSA-N 372.425 1.485 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 14141128 QZWROUWKOGHLOA-UHFFFAOYSA-N 364.449 1.684 0 40 FDAB NC(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14183293 HMAWFZHYUKCCEZ-GOSISDBHSA-N 373.478 1.361 0 40 FDAB O=C(CS(=O)(=O)C1CCCC1)NCc1ccccc1N1CCOCC1 65881768 GUAWQOKPCXQKAC-UHFFFAOYSA-N 366.483 1.497 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204826 IOQYVKIBYATHBF-HNNXBMFYSA-N 365.430 1.656 0 40 FDAB CC[C@H](C)NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300867 AQXAGRAULVFCPU-LBPRGKRZSA-N 361.417 1.807 0 40 FDAB CNc1snc(C)c1C(=O)OCc1nn2c(=O)cc(C)nc2s1 21761917 RXYOSZHARVVVGD-UHFFFAOYSA-N 351.413 1.623 0 40 FDAB C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 9048462 GNMPRJIQPDPRHW-LBPRGKRZSA-N 367.365 1.035 0 40 FDAB CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccnc3ncnn23)c1 96013486 CYJPVPMHZGTZSV-UHFFFAOYSA-N 365.346 1.241 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)C1=O 19797413 URFKSIZNCSUIAN-AWEZNQCLSA-N 366.439 1.298 0 40 FDAB COC(=O)c1coc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)c1 89802158 DAPHCEQKWCNXAT-UHFFFAOYSA-N 372.443 1.382 0 40 FDAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(CC(=O)NC2CC2)CC1 96908300 BJWIHOBTQLNUIJ-MRXNPFEDSA-N 362.518 1.278 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)NCC1(O)CCCCCC1 72288713 YRWHALLXUYXHMR-UHFFFAOYSA-N 354.472 1.557 0 40 FDAB COCCOC[C@@H](C)NC(=O)COc1nn(C)c2nc(C)cc(C)c12 72296749 CCKAEZXFWCWOOK-CYBMUJFWSA-N 350.419 1.132 0 40 FDAB CCOC(=O)[C@H](C)CN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 72309059 KVLVGKAWTGSZMT-YESZJQIVSA-N 353.507 1.308 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 97379333 NETJRWRCOYCBBV-LSDHHAIUSA-N 365.455 1.162 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)cn1 95401411 PASUKYTYENXTLO-SFHVURJKSA-N 354.458 1.128 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)C1 76900995 ILIJENYIOCCQBK-ROUUACIJSA-N 363.433 1.326 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 95997859 JDESVQHVGDIERS-UHFFFAOYSA-N 363.805 1.271 0 40 FDAB CCc1cnc(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)s1 74843295 FYDTUQLMQWXLQJ-LBPRGKRZSA-N 374.532 1.709 0 40 FDAB COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306144901 ZRWVKKRJUSRSBL-HUUCEWRRSA-N 370.457 1.124 0 40 FDAB O=C(O)COc1ccc(NC(=O)[C@H]2CCCS2(=O)=O)c2ccccc12 514739854 YLNZPZXWOCOGRT-OAHLLOKOSA-N 363.391 1.819 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218356933 LJHKWHVPSLWWPI-KBPBESRZSA-N 372.414 1.839 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 32824512 YWSIJMZGXSRUHS-UHFFFAOYSA-N 358.398 1.866 0 40 FDAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218156577 ZDHSECTWLXIEPS-BZSNNMDCSA-N 361.419 1.292 0 40 FDAB O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccccc1-c1nnc(S)o1 36633742 JTIFEMSRMWEKEM-QMMMGPOBSA-N 351.365 1.672 0 40 FDAB CN(CC(=O)Nc1cnc(N2CCCC2)nc1)C(=O)c1ccccc1F 224278686 RGFIAEQDCSRNLF-UHFFFAOYSA-N 357.389 1.927 0 40 FDAB COc1ccccc1N1CCN(C(=O)NCC(=O)Nc2cccnc2)CC1 49551534 PEPZBBKSILOJPG-UHFFFAOYSA-N 369.425 1.561 0 40 FDAB O=C(N[C@H]1CCSC1=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 75163718 BIWLDIRTDZTDKM-VIFPVBQESA-N 357.317 1.443 0 40 FDAB Cn1cc(CN2C[C@@H]3C[C@@H](CC(=O)NCc4cccnc4)O[C@@H]3C2)cn1 96219331 MFDKMZZKULGUAF-OKZBNKHCSA-N 355.442 1.111 0 40 FDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(c3ncc(F)cn3)CC[C@@H]21 96251541 HFGVPVMVCIZVFR-LSDHHAIUSA-N 356.467 1.340 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 96239413 TZDHUSMURFZABD-MRXNPFEDSA-N 355.460 1.456 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 96036745 AGMBUTJCOPZZTK-OAHLLOKOSA-N 360.483 1.889 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc(O)n1 579189505 ZAJJPEPCOFUZIN-CQSZACIVSA-N 352.398 1.773 0 40 FDAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242750493 ZOUBLUUFFYHYFO-LOWVWBTDSA-N 362.245 1.220 0 40 FDAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccn(C)n1)C2 248165737 ZRHMEXQUWCKOME-OAHLLOKOSA-N 355.442 1.431 0 40 FDAB CN(C)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn2C1 248130812 QGQNDPLCDGJIAT-CQSZACIVSA-N 356.426 1.488 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCC(=O)O)C2)c2cnccc2n1 257207017 BFZCDTOZNTYODC-IBGZPJMESA-N 372.425 1.203 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NCC3CCOCC3)C2)n1 257283518 OYRJQJTWDUGOQV-INIZCTEOSA-N 362.474 1.688 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2ccnc3cc(F)cnc23)C1 643692942 WGCGPMIPMLITNN-KRWDZBQOSA-N 356.361 1.702 0 40 FDAB Cc1c(CNC(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)cnn1C 644411779 ZQBZGIXIYWQFEJ-HXUWFJFHSA-N 356.470 1.762 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1cnn(CC(C)C)c1C1CC1)N(C)C2 644467853 AWRSSJJLXTWAJM-OAHLLOKOSA-N 357.462 1.769 0 40 FDAB Cn1nnnc1CCNC(=O)N1CCC(c2ccc3cccnc3n2)CC1 654515698 AKUYGFKIRARKBA-UHFFFAOYSA-N 366.429 1.285 0 40 FDAB O=C(O)CC1(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CCCCC1 663120585 ZEXIWMHZNZEXPQ-UONOGXRCSA-N 352.431 1.450 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NCc2nnnn2C2CC2)c1C 674648121 BRWGXCVLFVOCFG-UHFFFAOYSA-N 350.448 1.487 0 40 FDAB CN(C(=O)Nc1ccc(F)cc1N1CCOCC1)[C@H]1C[C@@H](C(N)=O)C1 626585672 WSQXYFMHXHRXNU-BJHJDKERSA-N 350.394 1.390 0 40 FDAB CC1(C)CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1c1cccnc1 292755089 WKGCKKBQAVDHMQ-ZFWWWQNUSA-N 366.487 1.456 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)c1 575405827 VCIURWXQOKHPNJ-IPMKNSEASA-N 365.433 1.907 0 40 FDAB O=C(Cc1cscn1)Nc1ccccc1S(=O)(=O)N1CCOCC1 585114273 JBQZNHQPGIVVEE-UHFFFAOYSA-N 367.452 1.345 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109254 FHYBQUWGIFQFMF-SQNIBIBYSA-N 351.406 1.628 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)C1CC1 585112652 USIWIRFJTMBPMK-INIZCTEOSA-N 361.471 1.307 0 40 FDAB CC(=O)N[C@]12CN(CCCOc3cccc(C)c3)C[C@H]1CCN(C(C)=O)C2 19713734 DGGPCKZLLGGEOZ-CTNGQTDRSA-N 373.497 1.823 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(N)=O)CC1 48366494 SSWCJPJRVLCOSI-MRXNPFEDSA-N 374.420 1.018 0 40 FDAB O=C(CSC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124264 JLHOMCHFGXSDAY-UHFFFAOYSA-N 373.486 1.382 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cncnc2-c2ccccc2)C1 644038540 NJCWMWNTOMRMPL-LJQANCHMSA-N 354.410 1.247 0 40 FDAB Cc1cc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)nc(C(C)C)n1 12325933 IWQRYFYNFUAHER-UHFFFAOYSA-N 355.442 1.570 0 40 FDAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)N1CCOCC1 13692674 FSNUMCQJEOOBLT-UHFFFAOYSA-N 366.849 1.348 0 40 FDAB CCCNN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 19167139 WXFTULYJVCHMED-UHFFFAOYSA-N 367.519 1.293 0 40 FDAB COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 19448470 ZRKGVHUERCWRFJ-UHFFFAOYSA-N 362.474 1.279 0 40 FDAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19579759 YXWLIIPQFFNQOL-XJKSGUPXSA-N 369.425 1.820 0 40 FDAB COCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCCN4C)n3CC2)cc1 19706334 SXDGTDUEWSLQNP-KRWDZBQOSA-N 369.469 1.890 0 40 FDAB Cc1cn(CC(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)nn1 19712653 SRXKDAQHHOEBFT-QKLQHJQFSA-N 367.453 1.640 0 40 FDAB CC(=O)N[C@]12CN(Cc3ccnc4ccccc34)C[C@H]1CCN(C(C)=O)C2 19713750 IWHPQIRTGWAHDC-NQIIRXRSSA-N 366.465 1.794 0 40 FDAB CCCN(Cc1cc2c(cc1OC)OCO2)C[C@@H]1COC[C@@H](O)[C@H]1O 643585969 JGRYXHDDHQRSST-LBTNJELSSA-N 353.415 1.004 0 40 FDAB Cc1ncc2c(n1)C1(CCN(C(=O)c3cnc(N(C)C)nc3)CC1)OCC2 12407076 RJVRDZDFPFDIMX-UHFFFAOYSA-N 368.441 1.345 0 40 FDAB CCOC(=O)Cn1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19530576 AZCSZXGPDHYNRO-CGTJXYLNSA-N 371.481 1.844 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc(Cl)cc1 9117844 UTXDDIJVDCNHJG-UHFFFAOYSA-N 365.842 1.989 0 40 FDAB CCn1nc(C(=O)OCC(=O)NCc2ccco2)c2ccccc2c1=O 4326218 LFECJEOXCGXAPX-UHFFFAOYSA-N 355.350 1.483 0 40 FDAB CCn1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(=O)n(CC)c1=O 1888892721 ZJNDALLZZKRJFF-CYBMUJFWSA-N 366.462 1.543 0 40 FDAB Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 25705207 ZWQUJQOFQBSKIY-UHFFFAOYSA-N 351.370 1.027 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2sc(C)nc2C)c(=O)[nH]c1=O 32988968 LAKIPPAWGPFQKZ-UHFFFAOYSA-N 351.432 1.269 0 40 FDAB O=C(C1CC(O)C1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1565554318 XJOPDSOSTVTORC-UHFFFAOYSA-N 353.422 1.939 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4742198 YQIHIWHAMDEUSQ-SNVBAGLBSA-N 353.300 1.577 0 40 FDAB CCc1n[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 6498748 UUDPOWMBSZYXRX-UHFFFAOYSA-N 372.454 1.896 0 40 FDAB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)c(OC)c1 7418814 JTSGRPFPVKHTAX-UHFFFAOYSA-N 369.381 1.842 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C)c1 9827391 ZURWVLFUPOQYET-UHFFFAOYSA-N 362.455 1.551 0 40 FDAB CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C 10361275 GHXAZIHUWAHIPH-UHFFFAOYSA-N 366.425 1.469 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1cc(-c2ccco2)cn1 575615653 SJDJNVKMSMITCW-UHFFFAOYSA-N 352.350 1.867 0 40 FDAB CN(CCCNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 40068974 CXFYUCDZCYRJJQ-UHFFFAOYSA-N 354.458 1.835 0 40 FDAB COC(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 40154659 DVOXVVXVAIQCHI-MRXNPFEDSA-N 350.396 1.280 0 40 FDAB Cc1n[nH]c(C(=O)N2CCN(Cc3ccncc3)CC2)c1Br 40156362 MCDLGVKGLONQIU-UHFFFAOYSA-N 364.247 1.834 0 40 FDAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 20676274 GCMHQAYTOFLXCC-IBGZPJMESA-N 370.453 1.534 0 40 FDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 20717631 QHSXTCKYVOWPIT-GFCCVEGCSA-N 351.834 1.581 0 40 FDAB COc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c(OC)c1 6325705 YHBJIJIFHXDWRO-UHFFFAOYSA-N 358.460 1.632 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N3C(S)=NC(=O)C(C)(C)N23)c1 10153635 GPHJQXNDRCYKHR-GFCCVEGCSA-N 360.439 1.664 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3cnn4C)C2)nc1 52450030 RQYMHUXJWQXARH-CYBMUJFWSA-N 351.414 1.922 0 40 FDAB O=C1C(=O)N(C2CC2)C(=O)N1CCS(=O)(=O)c1ccc(Cl)cc1 32865425 UONRUACZVFMBMX-UHFFFAOYSA-N 356.787 1.067 0 40 FDAB CCn1cnnc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 56066555 BSRBYLKSOBLTKW-UHFFFAOYSA-N 350.322 1.675 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccnn1C(C)C 22290341 JUJGGAPYIJLVKD-UHFFFAOYSA-N 355.420 1.376 0 40 FDAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NC[C@@H]1CCCO1 22780172 TWNRTSWTXMHAGP-HNNXBMFYSA-N 374.510 1.709 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 17076332 DZVXUUDZWTVVJQ-UHFFFAOYSA-N 372.493 1.443 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 23758318 OIYYBCNGRSKYAH-UHFFFAOYSA-N 368.436 1.714 0 40 FDAB COC(=O)[C@H](C)Sc1ccccc1C(=O)NCC(=O)NC(C)(C)C 55045206 KKSOLWUCCPJBNG-NSHDSACASA-N 352.456 1.985 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 24678510 OSHJRHAUNVYDHI-AWEZNQCLSA-N 368.455 1.392 0 40 FDAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(N)=O 3087661 WFDIEQNPRBNOQQ-HOTGVXAUSA-N 363.458 1.954 0 40 FDAB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420217 NLDPJKAUWOWACW-LKQDWFRTSA-N 350.802 1.537 0 40 FDAB CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)O 9646859 HIHBEBSIPCAWQW-GFCCVEGCSA-N 362.835 1.429 0 40 FDAB in-vitro O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 56780051 BSCDZAPJOQUOER-ZIAGYGMSSA-N 358.847 1.610 0 40 FDAB O=c1cc(CO)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O 62001750 SLHSDSLFSXYVMV-QPJJXVBHSA-N 356.422 1.669 0 40 FDAB biogenic O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 58282429 JLFBHTMHRHWZKD-UHFFFAOYSA-N 366.468 1.077 0 40 FDAB CCCn1c(=O)c2c(nc3n2CC(C)=NN3CC(=O)C(C)(C)C)n(C)c1=O 10329878 FAWWGJHQMKAGHZ-UHFFFAOYSA-N 374.445 1.118 0 40 FDAB COC(=O)c1ccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 12607321 XVZOFUAMJVVACH-UHFFFAOYSA-N 364.361 1.947 0 40 FDAB NC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1 2212679 CDKIYZKBQJHDGX-CQSZACIVSA-N 368.418 1.209 0 40 FDAB O=C(CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1)NC1CC1 36384487 VEIFWNGBNRACOW-UHFFFAOYSA-N 367.449 1.641 0 40 FDAB CCN1C[C@H](C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)CC1=O 58736872 UKTWYQVWZCNNIH-CQSZACIVSA-N 372.425 1.756 0 40 FDAB Cn1cnc2c1c(OCC(=O)Nc1ccc(F)cc1Cl)nc(=O)n2C 28616948 ALHWNRSHEUILEA-UHFFFAOYSA-N 365.752 1.477 0 40 FDAB COC[C@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8488876 UBMMCRCRXOBNLJ-NSHDSACASA-N 373.438 1.352 0 40 FDAB Cc1cc(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)ccc1Cl 13628107 QENCWJQJHLKMQK-UHFFFAOYSA-N 361.832 1.921 0 40 FDAB CC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 13608827 VUEXDJJFWROYAE-LSDHHAIUSA-N 361.467 1.929 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1N=C(N2CCOCC2)N=C1O 13728974 LKOYJJBEVMQERQ-GFCCVEGCSA-N 366.805 1.704 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13718982 MKXXMTJSCOLHQV-UHFFFAOYSA-N 365.393 1.590 0 40 FDAB COc1ccccc1OCCNC(=O)c1cccc(-n2nnnc2C)c1 71285043 XSIZJIJNSSZOCV-UHFFFAOYSA-N 353.382 1.788 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 4548195 ABJDHIHZSDNUOB-UHFFFAOYSA-N 364.398 1.403 0 40 FDAB C[C@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 14240784 YMTRZNKGFJARLR-CQSZACIVSA-N 351.406 2.000 0 40 FDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(F)c(F)c1)CN=2 6662585 BBBLEZGYVKKKHV-CHHVJCJISA-N 358.373 1.467 0 40 FDAB CN(C(=O)COC(=O)c1ccc2ncsc2c1)[C@H]1CCS(=O)(=O)C1 5843277 YSXOCLDBQANTEU-NSHDSACASA-N 368.436 1.099 0 40 FDAB COCc1cc(=O)n(CC(=O)NCCC2=CCCCC2)c(N2CCCC2)n1 67256867 WBZNNASTUQSILI-UHFFFAOYSA-N 374.485 1.997 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2=COCCO2)c1C 7655417 GTJTYOMLXQFQTK-NSHDSACASA-N 351.355 1.811 0 40 FDAB COc1ccccc1N1C(=S)N(CC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 9304759 DOFHOVNSJGWSEY-UONOGXRCSA-N 354.497 1.924 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1CSCN1C(=O)C1CC1 97124421 WRTGAWZRFPEGKX-AWEZNQCLSA-N 374.418 1.137 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95476669 AFXBZVCDVMBTNZ-CHWSQXEVSA-N 373.432 1.655 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1F 95940358 LSCCMKRVUCPFNJ-MFKMUULPSA-N 368.405 1.864 0 40 FDAB O=C(NCCc1ccc2c(c1)CCO2)NC1CCN(C[C@H]2CCOC2)CC1 77665588 AZZISFQXMXDLLR-QGZVFWFLSA-N 373.497 1.964 0 40 FDAB NC(=O)Nc1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 29716502 YCNGYRQDWZUSOM-UHFFFAOYSA-N 368.437 1.939 0 40 FDAB CCCNC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1C 408619665 IHDRQZJPJJBKOJ-UHFFFAOYSA-N 364.471 1.700 0 40 FDAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 26100584 WQKIEEGORXVLDO-FNORWQNLSA-N 352.456 1.557 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCCn3ncnc32)C[C@@H](C)O1 177346883 ZNIPALQYSKCFLO-HZSPNIEDSA-N 350.467 1.300 0 40 FDAB O=C(Nc1nncs1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 36352945 NCGYEFGYQWKLRD-ZETCQYMHSA-N 364.822 1.713 0 40 FDAB COc1ccc(CNC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35485437 VBEGXJOHSCWXQE-SFHVURJKSA-N 353.422 1.142 0 40 FDAB CN1CCN(C(=O)Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355094 KKFVSVBALRQGLN-SFHVURJKSA-N 367.497 1.718 0 40 FDAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NCc1cccs1 30587936 CCZVICTYBBBOKL-UHFFFAOYSA-N 351.453 1.613 0 40 FDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(CC3CC3)c2)[C@H]1c1ccc(F)cc1 72252011 QPKQMXJSBUAURM-MSOLQXFVSA-N 372.400 1.969 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCc3ccccc3)ccc21 32643025 DPKYYVAXOFAYLL-UHFFFAOYSA-N 359.451 1.788 0 40 FDAB CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)OCC 34947701 IPVQLZZIHOAWMC-QRJUGERDSA-N 368.474 1.941 0 40 FDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1 225962327 XZULVFFJRCFYTB-UHFFFAOYSA-N 350.238 1.126 0 40 FDAB CN(c1ccc(CC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 225981593 HCMSRHRKQVZZNL-UHFFFAOYSA-N 374.462 1.913 0 40 FDAB Cc1noc(-c2cn(CCNC(=O)c3ccc(F)cc3Cl)nn2)n1 225584326 NALQXVYFMUCHIY-UHFFFAOYSA-N 350.741 1.859 0 40 FDAB COc1cccc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1OC 224215782 XTEJEBOANCCJBY-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96240535 OIAIDMYPZZHZKF-PXNSSMCTSA-N 369.469 1.900 0 40 FDAB CC(C)C[C@H](NC(=O)CNC(=O)c1cnccn1)c1nnc2ccccn12 96118665 YFKUIXPAIFDHIU-ZDUSSCGKSA-N 367.413 1.153 0 40 FDAB O=C(N1CCCC1)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 96051291 ZXPBVYFVJBIUTI-IBGZPJMESA-N 359.426 1.337 0 40 FDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 96225602 GNULZXXVZNSVQK-LPHOPBHVSA-N 361.417 1.842 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(CC1CCOCC1)C2 96056978 JHGJDBLYCCRSOZ-PKOBYXMFSA-N 354.491 1.389 0 40 FDAB O=S1(=O)CC[C@@H](COc2ncccc2F)C12CN(C1CCOCC1)C2 247350127 VXYNRMZLUOOPPK-ZDUSSCGKSA-N 370.446 1.268 0 40 FDAB COc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)cc(C)n1 583619602 FNLUJXHLYQDKLR-KBXCAEBGSA-N 357.458 1.945 0 40 FDAB COc1cccc(CN2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)c1 247892061 MZLCRCMWVFXJSQ-OAHLLOKOSA-N 354.472 1.225 0 40 FDAB Cc1ncc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C 257314791 UYLKKFGOCVZCED-ZDUSSCGKSA-N 364.475 1.171 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCOCC1)C2 604381863 RYTKZPICORQKJV-LJQANCHMSA-N 371.481 1.077 0 40 FDAB biogenic,in-vitro Cc1cc(N2CC[C@](O)(CNC(=O)CCc3ccc(F)cc3)C2)ncn1 257309392 UATLQYFDAKESKK-IBGZPJMESA-N 358.417 1.614 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CCN1C 257207761 BJCVHXZLHWRKTQ-GOSISDBHSA-N 356.470 1.342 0 40 FDAB Cc1ncc(CNC(=O)CCc2cn(C)nc2C)c([C@@H]2CCCN2C)n1 257255293 KGYFOSBJIVGTBE-KRWDZBQOSA-N 356.474 1.843 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc4nsnc4c3)CC2)n1 253537389 UCWJPYGIDFSDAC-UHFFFAOYSA-N 370.438 1.894 0 40 FDAB COc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCOC2)c(Cl)cc1C(=O)O 281093721 VPWDZKPPHREOTD-DTWKUNHWSA-N 363.819 1.750 0 40 FDAB O=C(Cc1csc(-c2ccoc2)n1)NC1CCC2(CC1)NC(=O)NC2=O 672309844 XPXKAWYBHNGKEJ-UHFFFAOYSA-N 374.422 1.583 0 40 FDAB O=C(c1ccsc1)N1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 675453853 DZECPRQUZSLMNM-AWEZNQCLSA-N 358.485 1.405 0 40 FDAB O=C(NC[C@@H]1COCCN1C(=O)C[C@H]1CCOC1)C1CC2(CCC2)C1 1775992971 WBLOJSWRDIQUHJ-GDBMZVCRSA-N 350.459 1.337 0 40 FDAB CCn1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 1775958868 NGRJICFOVQFLTF-HOCLYGCPSA-N 353.419 1.992 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccccn1 604405347 ZKQJPZSBYWIESZ-VPWXQRGCSA-N 351.406 1.850 0 40 FDAB biogenic CCCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@H]1C 585096310 HNPNMMXZIJRZPG-CYBMUJFWSA-N 356.430 1.615 0 40 FDAB CO[C@H]1CCCN(C(=O)CCn2nnnc2C)[C@H]1Cc1ccc(C)cc1 585276530 MLBSXQKHGNNKQY-ROUUACIJSA-N 357.458 1.929 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 585278798 VJJPNCQQYSQTST-HXUWFJFHSA-N 357.454 1.710 0 40 FDAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1F 42268425 OQELRYSTQWYPEO-UHFFFAOYSA-N 355.318 1.855 0 40 FDAB CO[C@H]1C[C@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 685939081 YFDWQWOULCLNPT-AVGNSLFASA-N 373.500 1.235 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 48368509 WKRKCDYBOXPBSJ-CQSZACIVSA-N 372.512 1.339 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@H]3C2)c1C 585615120 JXAQZKGVAACTEL-GASCZTMLSA-N 352.442 1.902 0 40 FDAB COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 5252100 DIPICTUVXQVXGS-UHFFFAOYSA-N 361.789 1.247 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccnc21 12117546 PKYDCPWPTZFQPE-UHFFFAOYSA-N 354.366 1.628 0 40 FDAB COc1ccc(OC[C@@H](O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)cc1 12807901 NLXVECVYVYCHQD-AWEZNQCLSA-N 369.421 1.803 0 40 FDAB CC(=O)N1CCc2nnc([C@@H]3CCCN3C(=O)CC3CCCC3)n2CC1 19710710 HSOWYBVTSAXNJP-INIZCTEOSA-N 359.474 1.927 0 40 FDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ncon1 154578440 PQXHZKIMFSSVQX-OLZOCXBDSA-N 364.427 1.348 0 40 FDAB O=C(O)[C@@H]1CCCCN1C(=O)Cn1cnc2c(oc3ccccc32)c1=O 159907040 OVBMOUYZYUSLAK-LBPRGKRZSA-N 355.350 1.608 0 40 FDAB COc1cccc(CNC(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c1 28630223 QIDLWPQLLOXUCY-UHFFFAOYSA-N 371.389 1.869 0 40 FDAB Cc1cc(CN2CCc3oc(C(=O)N[C@@H]4CC[C@@H](F)C4)nc3C2)n(C)n1 1615102638 VYHBBVDOEPJQHV-CHWSQXEVSA-N 361.421 1.895 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@H]32)CC1 1565551936 MFCNEPUKHUHGNM-VNDHCKRVSA-N 368.481 1.703 0 40 FDAB COC1(CC(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)CCC1 1565551391 DLLWRSZZDDLDOY-DYESRHJHSA-N 372.465 1.799 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5351551 NAZFSPCDTMNQAP-OAHLLOKOSA-N 362.426 1.503 0 40 FDAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C(F)(F)F 12443189 KRDKJNFGTRUYGY-UHFFFAOYSA-N 351.288 1.849 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13847645 OLORYLRNWYCZDP-UHFFFAOYSA-N 372.454 1.198 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccc2)CC1 2055746345 QIRZRGMRKUMPGV-UHFFFAOYSA-N 355.442 1.182 0 40 FDAB O=C(COc1ccccc1F)NCC1(N2CCOCC2)CCSCC1 1775973344 GGGJRFZGDQHKSE-UHFFFAOYSA-N 368.474 1.919 0 40 FDAB Cc1nnsc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38947021 XUOCHQXDGWTZQM-VXGBXAGGSA-N 362.480 1.996 0 40 FDAB Cn1ncc2c(N3CCN(c4nc(O)cc(C5CC5)n4)CC3)ncnc21 2298078360 QALVJPLZEFMAMK-UHFFFAOYSA-N 352.402 1.063 0 40 FDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1Cc2cc(F)ccc2O1 76961369 KSCIRHYXSUXVSH-FUHWJXTLSA-N 366.458 1.453 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H]1Cc3ccccc3C(=O)O1)C2=O 40161984 TZNKCILWTSLSEM-OTBSTLSISA-N 371.393 1.300 0 40 FDAB CN1CCN([C@@H](CC(=O)c2ccc(Br)cc2)C(=O)O)CC1 20432429 DIXFIBYQEKIAKO-ZDUSSCGKSA-N 355.232 1.723 0 40 FDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 1598827 CEKNEBXDNNDNMN-DLBZAZTESA-N 361.354 1.366 0 40 FDAB CC1(C)N=C(N)N=C(N)N1c1cccc(CCC(=O)Nc2cccnc2)c1 1716435 ZNEMTJUMFDMPNL-UHFFFAOYSA-N 365.441 1.838 0 40 FDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCOC 2938998 PXMSMMXIYJQLRG-GOEBONIOSA-N 356.488 1.841 0 40 FDAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1 4981719 WDXKISISIPFDLY-UHFFFAOYSA-N 368.328 1.026 0 40 FDAB CCNC(=O)NC(=O)CN(CC)CC(=O)Nc1cc(Cl)ccc1C 7670007 VHBLTYFPZKBQTN-UHFFFAOYSA-N 354.838 1.755 0 40 FDAB COc1ccc(CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 7682585 PVGZYCAJECMTKD-UHFFFAOYSA-N 374.441 1.413 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)c1 7805561 XEQZSEYGFHDWFV-MRXNPFEDSA-N 366.483 1.624 0 40 FDAB CC1(C)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O 2663834 KLIOUKWSQZLRDC-UHFFFAOYSA-N 373.818 1.012 0 40 FDAB Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)nn2)cc1 32245301 VSPKAVNOJSERCE-UHFFFAOYSA-N 365.393 1.767 0 40 FDAB COc1cc(NC(=O)Cc2c(C)noc2C)ccc1NS(C)(=O)=O 32818602 LLJQZFKXTPUBAZ-UHFFFAOYSA-N 353.400 1.853 0 40 FDAB O=C(NCc1nnc2n1CCC2)c1ccc(NC(=O)c2ccco2)cc1 32873622 DXHHHXPZJGSNLN-UHFFFAOYSA-N 351.366 2.000 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 103434879 FXOLBQXCYHZAPZ-RKQYBIKBSA-N 351.443 1.497 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCCC2)cc1C 28210081 UEOWSQIPQLJSCC-CQSZACIVSA-N 366.439 1.306 0 40 FDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015770 KGNALQCHBPHQKM-UHFFFAOYSA-N 369.425 1.393 0 40 FDAB CC(=O)N[C@H](C)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 104131589 ZJECJZSKEVZMMU-CQSZACIVSA-N 353.426 1.317 0 40 FDAB CCS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)CC1 108524600 VIPVXFYNSIUVFH-KRWDZBQOSA-N 351.472 1.636 0 40 FDAB COc1ccc(C(C)=O)cc1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 12599107 GNIXFISCDNKJJM-SFHVURJKSA-N 366.417 1.879 0 40 FDAB COCc1cc(=O)n(CC(=O)NC2CCC(C)CC2)c(N2CCCC2)n1 67257056 LTYCGVLPLLASSS-UHFFFAOYSA-N 362.474 1.685 0 40 FDAB CCCN1CCN(CCCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC1 102845105 MURHACRHKGGHOW-CVEARBPZSA-N 353.894 1.922 0 40 FDAB Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1cn2cc(Cl)ccc2n1 26268363 HUXULKJKBNSNHY-UHFFFAOYSA-N 368.802 1.331 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 23106564 LHAQYIYEXXLEFM-LBPRGKRZSA-N 361.423 1.834 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c1C 3334695 SOFIJRZEKAVMQP-UHFFFAOYSA-N 358.442 1.282 0 40 FDAB Cn1c(SCc2cccc(C(=O)O)c2)nnc1[C@@H]1CCS(=O)(=O)C1 12789242 SLPIJAQYOJWLEQ-GFCCVEGCSA-N 367.452 1.708 0 40 FDAB Cc1cnc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cn1 12785502 WDXCKAFKRCMIQI-UHFFFAOYSA-N 353.426 1.618 0 40 FDAB Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccc3ccccc3n2)cn1C 58264884 BGGSFEHLGSCNSR-UHFFFAOYSA-N 373.438 1.584 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC(=O)N(C)C1 58265192 OLPXJJYBAAYLAF-ABAIWWIYSA-N 351.834 1.441 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 12782246 FKOPZLGDGKOJNM-GFCCVEGCSA-N 367.402 1.238 0 40 FDAB CCn1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc2c1=O 10457271 MILBEDIPXLMYRB-UHFFFAOYSA-N 352.394 1.652 0 40 FDAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc2c(c1)OCO2)C(F)(F)F 48310512 SBWARVUHLYSUET-AWEZNQCLSA-N 357.288 1.928 0 40 FDAB C[C@@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12815386 WYCSWHFLJXFEJD-ZDUSSCGKSA-N 352.456 1.578 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 80762640 ZLAGSCIVLDAJIF-KRWDZBQOSA-N 357.495 1.684 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)NCc1ccccc1)C2=O 3595699 UQNNZVRBQMEIDG-BFUOFWGJSA-N 372.425 1.513 0 40 FDAB Cc1ccc(-n2nnnc2CSc2nnc3nc(O)cc(N)n23)c(C)c1 13534861 ZFEHRHPEKBZFMV-UHFFFAOYSA-N 369.414 1.297 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 8211934 IUYYBEXBGDBWHU-APPDUMDISA-N 374.393 1.389 0 40 FDAB NC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1 66045340 OMVKWDKEJXGZEC-UHFFFAOYSA-N 369.421 1.764 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 408601489 ACQGZFRCPSOLTR-SNVBAGLBSA-N 364.851 1.266 0 40 FDAB Cc1c(C(=O)NCc2ccnn2C)nnn1-c1ccc2c(c1)OCCO2 67136286 ZZVPTEJWFYVMKM-UHFFFAOYSA-N 354.370 1.010 0 40 FDAB CCc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1N1CCOCC1 7072988 HTQFARATWJBYBE-GFCCVEGCSA-N 361.471 1.632 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)cc1 9058969 DOZZMTHHJRZHQJ-NSHDSACASA-N 366.377 1.848 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1OC 72284008 HNVIQZFQXRBMLU-KXBFYZLASA-N 369.421 1.935 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2)C1=O 9483515 BMRQEMQOGMEFHK-IBGZPJMESA-N 353.378 1.954 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)Cc2csc(-c3ccccn3)n2)n1 25033738 ZGYDOMPBBNTYFS-UHFFFAOYSA-N 371.426 1.324 0 40 FDAB CN(C)CCn1ccc(NC(=O)Nc2cccn(CC(F)(F)F)c2=O)n1 97164736 WJPRDVDHYKSCHZ-UHFFFAOYSA-N 372.351 1.813 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)C(F)(F)F 95419085 PDLIPGBGXBGBOZ-VXGBXAGGSA-N 350.362 1.646 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4cc(C)nn4C)C[C@@H]23)n1 306129039 HSEXIWCYDIGNEE-SZMVWBNQSA-N 357.458 1.743 0 40 FDAB CCCN(CC(=O)O)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 95970018 HZKGQHPSUJSNTF-UHFFFAOYSA-N 368.455 1.383 0 40 FDAB COC[C@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218196167 FGCLEQCOCZDXJJ-MDZLAQPJSA-N 363.229 1.677 0 40 FDAB O=C(NCc1ccccc1)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 85436065 PCEMNWQIOCSHIE-GOSISDBHSA-N 365.437 1.913 0 40 FDAB biogenic,in-vitro COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(Br)cc1 48991498 GCBIRMJPXRTYLW-UHFFFAOYSA-N 360.189 1.760 0 40 FDAB CN1C(=O)CC[C@H](NC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)C1=O 570838177 LCJSJJZCMXJQLQ-AWEZNQCLSA-N 359.361 1.495 0 40 FDAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1cc(C2CC2)on1 238870785 MVRAOEYDFAUZSW-UHFFFAOYSA-N 359.357 1.842 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1c2ccccc2[C@@H]2CNC[C@@H]21 96268359 KYUUZDYTYKEMPQ-LNLFQRSKSA-N 361.401 1.457 0 40 FDAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)c1cnc(C)cn1)CC2 96147056 VUHSDXCEQRKWPA-UHFFFAOYSA-N 373.482 1.965 0 40 FDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)N=C1C 96261496 KGXRRHKKWDVRAU-HHXXYDBFSA-N 360.458 1.779 0 40 FDAB COCCNC(=O)[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 96110033 ISGLIMAHTHHMGH-OXQOHEQNSA-N 355.438 1.446 0 40 FDAB Cc1cccc(Cn2cccc(C(=O)N3CCO[C@@H](C(=O)O)C3)c2=O)c1 583650619 RKTSAHNZSYILOA-MRXNPFEDSA-N 356.378 1.131 0 40 FDAB Cc1cc(CNC(=O)CCCn2cc(COc3ccccc3)nn2)n(C)n1 252486693 HOQXEARXPCBOID-UHFFFAOYSA-N 368.441 1.996 0 40 FDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252515417 JRGAFDLKXTYRRG-FMKPAKJESA-N 357.497 1.905 0 40 FDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCc2ccncc2)C1 253489995 HBQKDLXGHJAFPX-SFHVURJKSA-N 363.483 1.719 0 40 FDAB O=C(O)C[C@H](NC(=O)CN1CCC(CO)CC1)c1ccc(F)cc1F 1123284256 GIWYWRRBPQANCI-HNNXBMFYSA-N 356.369 1.301 0 40 FDAB COc1cccc(NC(=O)C(=O)NC[C@@H](OCCO)c2ccc(C)cc2)c1 96338218 ZYLPXNOVDNLLJQ-GOSISDBHSA-N 372.421 1.809 0 40 FDAB CN1Cc2cccc(-c3cnc4n3CCN(C(=O)[C@@H]3CCOC3)CC4)c2C1 585111083 CVLBUCOGHGEJOM-MRXNPFEDSA-N 366.465 1.917 0 40 FDAB CC(C)Cc1cc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)n[nH]1 585279664 WWPXZLBLSYNNND-FQEVSTJZSA-N 373.453 1.891 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCc2cnn(C)c2)CCO1 585277186 KWLJOPCWSHLGOJ-FQEVSTJZSA-N 357.454 1.494 0 40 FDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ncc2ccccc2c1O 668618836 YPEMXGATFZHQBA-NSHDSACASA-N 353.300 1.833 0 40 FDAB CNC(=O)c1ccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)c(C)c1 1141688480 TZVHOJYNVMVJTB-UHFFFAOYSA-N 352.350 1.950 0 40 FDAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)COc1ccc(O)cc1)N1CCCC1 1615548098 MUBLORTYQPEPMK-ULQDDVLXSA-N 360.410 1.152 0 40 FDAB O=C1[C@H]2[C@H](CN[C@@]23C(=O)Nc2ccccc23)C(=O)N1CCc1ccccc1 11851499 APQDTZWXYXIMKA-AVBTWRTFSA-N 361.401 1.281 0 40 FDAB Cc1nnc(NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)s1 12229758 JFYQESZLQVDZBK-SNVBAGLBSA-N 367.456 1.532 0 40 FDAB Cc1ccccc1N(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)S(C)(=O)=O 14266931 ZYBZHWOMDMIRAC-UHFFFAOYSA-N 374.422 1.569 0 40 FDAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCN4C)n3CC2)s1 19706316 DOTDZDCKWCZKHQ-CYBMUJFWSA-N 360.487 1.817 0 40 FDAB CC[C@H](c1nnnn1CCOC)N1CCN(c2ccccc2OC)CC1 35310982 WZFSUWUYPFXFQU-OAHLLOKOSA-N 360.462 1.601 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586019 OTWQYHSHJUYPSK-YVWKXTFCSA-N 355.438 1.715 0 40 FDAB O=C(CSc1nnc2ccccn12)NCC(=O)Nc1ccc(F)cc1 5212989 RLTPKNPHIGAWIU-UHFFFAOYSA-N 359.386 1.715 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc2c(c1)CCC2 20798213 ONKMBIBFERXMFS-UHFFFAOYSA-N 370.497 1.354 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1 36727463 XLGZCEZBRGNWOE-QGZVFWFLSA-N 371.481 1.929 0 40 FDAB O=C(O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(Br)cc1 35303710 HANUBTLWZDCURL-GFCCVEGCSA-N 362.245 1.772 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037840174 IEDHWSOIMNAKKR-UHFFFAOYSA-N 354.410 1.458 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)n(C)n1 2056224391 PKDIIBZKLWSZGG-OAHLLOKOSA-N 357.483 1.613 0 40 FDAB Cn1cc(CCC(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)cn1 2056224614 ZHNJBCGYCKKUSE-QGZVFWFLSA-N 371.510 1.624 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 1614946578 XYWBBBBUAMXALQ-SFHVURJKSA-N 371.466 1.896 0 40 FDAB CN(C)c1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1 2087122355 NEVMNXYDRNNPLR-UHFFFAOYSA-N 355.490 1.477 0 40 FDAB Cn1cccc1[C@H](CNC(=O)C(=O)NCc1cccs1)N1CCCC1 11898238 TVPKATQTRFZMMO-INIZCTEOSA-N 360.483 1.656 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCS[C@H](c2ccccc2F)CC1 219166310 UCFMNHVMPRCTHB-HNNXBMFYSA-N 360.476 1.883 0 40 FDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)nn1 225445554 GWRIDKALMXGCTN-CJNGLKHVSA-N 370.409 1.362 0 40 FDAB CCOC(=O)CCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 390832096 XGCPJVOCCZCLSU-UHFFFAOYSA-N 358.398 1.298 0 40 FDAB C[C@@H]1CN(C(=O)Cn2cc(SCC(N)=O)c3ccccc32)C[C@@H](C)O1 17246420 WZNUPPWHWGAVIR-CHWSQXEVSA-N 361.467 1.855 0 40 FDAB C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 40061066 YJGMIDWNEIUKGJ-AWEZNQCLSA-N 357.451 1.081 0 40 FDAB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1)N(C)CC3)OCO2 20111343 XPGIAHGGZGVSMF-MRXNPFEDSA-N 365.393 1.977 0 40 FDAB biogenic COC(=O)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1Cl 31377346 HBKAMSITRTZYNA-ZDUSSCGKSA-N 366.801 1.600 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCc2ccsc2)c(=O)[nH]c1=O 7986827 OZNVMYBBGNCHBB-UHFFFAOYSA-N 350.444 1.576 0 40 FDAB CCc1nnc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100848333 YUYDAHDLESZOOQ-QSFUFRPTSA-N 361.427 1.029 0 40 FDAB CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 31720863 RSBPJCCOCVKPFV-ZDUSSCGKSA-N 352.437 1.793 0 40 FDAB COc1ccc(N2C(Nc3nc(C)cc(C)n3)=NC(=O)C[C@@H]2C(=O)O)cc1 2398097 MHZKLVGYMVEYBH-CQSZACIVSA-N 369.381 1.760 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 7881213 VLBPOKDCYWLEOY-UHFFFAOYSA-N 356.444 1.198 0 40 FDAB CN(C(=O)Cc1cc(Cl)cc2c1OCOC2)[C@@H]1CCS(=O)(=O)C1 29793501 HMZMJHBVRDAZIH-CYBMUJFWSA-N 359.831 1.395 0 40 FDAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)ccc1O 102815553 RGKXFDMDERMSSD-IPPJXQLGSA-N 354.387 1.038 0 40 FDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OCCCO2 8039406 DHJNXAYOANZMHJ-UHFFFAOYSA-N 367.365 1.841 0 40 FDAB CCN(C[C@@H]1CCCO1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 53438289 SJXCUXFGFWBKEI-YXWQFLTLSA-N 355.504 1.740 0 40 FDAB O=C(NCc1nncn1-c1ccccc1)c1ccc(N2CCOCC2)nc1 47093425 IMHLHAZARAJGCM-UHFFFAOYSA-N 364.409 1.429 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cccs2)CC1 58171564 YNUZDULRLLUJGO-UHFFFAOYSA-N 372.494 1.993 0 40 FDAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(C)(=O)=O)C1=O 53832556 MVBVQABVIQOFHB-CYBMUJFWSA-N 364.345 1.517 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)C(=O)O 816444 HMQLGMDEKOQOKN-HNNXBMFYSA-N 362.407 1.817 0 40 FDAB COc1ccc(OCCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 12402587 YXNFPCOMKYKLQE-WMLDXEAASA-N 350.440 1.644 0 40 FDAB COCCN1C[C@H](C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1=O 47455918 WQEDBYPDSWJZSX-LJQANCHMSA-N 373.497 1.524 0 40 FDAB COc1ccccc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 23389879 UBBUQPLARRFOPQ-UHFFFAOYSA-N 353.488 1.938 0 40 FDAB Cc1noc(C2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)n1 54704682 WLKUWZGSDXPUTO-UHFFFAOYSA-N 360.389 1.582 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccco2)Oc2ccc(Cl)cc21 20045472 PBDUYPQLVAWMNF-CQSZACIVSA-N 370.814 1.776 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 25321507 LMOSRSSLRZLEMB-FZMZJTMJSA-N 356.444 1.305 0 40 FDAB COC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 22624616 APVQUTJODYDDJN-OLZOCXBDSA-N 358.435 1.378 0 40 FDAB O=C(NCCNc1ncccn1)NC[C@H]1CCN(c2ccc(F)cc2)C1 58226558 HUMRGHMKLPAGBX-CQSZACIVSA-N 358.421 1.853 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=Cc2ccccc2OC1 58392361 KOQOYSZXOSZETR-QGZVFWFLSA-N 357.454 1.521 0 40 FDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c1 27976196 FCZYBINKMAUFDY-NSHDSACASA-N 360.819 1.155 0 40 FDAB COc1ccc(OCCSc2nnc(C)n2CC(=O)N(C)C)cc1 58401583 FOSNSVFXGWBUCE-UHFFFAOYSA-N 350.444 1.854 0 40 FDAB COCCn1c(N)c(N(CC=C(C)C)Cc2ccccc2)c(=O)[nH]c1=O 36391914 MXSKPOGTFGVKNT-UHFFFAOYSA-N 358.442 1.738 0 40 FDAB Cc1cc(NC(=O)CN2CCCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 28900989 HPJXJCHTMYXKDT-CQSZACIVSA-N 354.476 1.366 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 12735492 FCJADVBVEXGALE-GFCCVEGCSA-N 369.443 1.264 0 40 FDAB CNC(=O)CN(C)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 48338526 FVOCNNIZLUIQFX-KRWDZBQOSA-N 367.405 1.447 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc1 48764607 YQQZARWSPZXYMI-HNNXBMFYSA-N 374.418 1.669 0 40 FDAB CCCN(C(=O)COc1cccc(C(=O)O)c1)[C@H]1CCS(=O)(=O)C1 13033607 DHCXFSWVGFAMTB-ZDUSSCGKSA-N 355.412 1.189 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@@](CCC)(c2ccccc2)C1=O 8323864 QSMXZOSWJGBTAF-SFHVURJKSA-N 360.414 1.470 0 40 FDAB O=C(c1cc(-c2ccccc2Cl)on1)N1CCn2c(CO)nnc2C1 72347190 PCQGLYFBJGIBEI-UHFFFAOYSA-N 359.773 1.735 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F 4269847 RMBQHRPHRFGDRH-DKCNOQQISA-N 354.375 1.697 0 40 FDAB O=C(NCc1ccco1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13732230 YXDGKBHZWHWEBX-GFCCVEGCSA-N 363.439 1.645 0 40 FDAB CC(=O)N1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 39996862 GXXQVRQAXQUQBD-UHFFFAOYSA-N 372.400 1.421 0 40 FDAB CCOCc1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)s1 4815815 YTGMNAGFFFHOOM-UHFFFAOYSA-N 355.441 1.795 0 40 FDAB N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O)C(=O)O 18077841 ODZCNACBSGCAKO-WPRPVWTQSA-N 362.329 1.482 0 40 FDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7219093 FUNKIHSGQNMBOS-CQSZACIVSA-N 372.443 1.520 0 40 FDAB O=S1(=O)[C@H]2[C@H]3CN(Cc4ccc(F)cc4)C[C@@H](O3)[C@H]2CN1CC1CC1 306135863 PDHJYDSMGXNBCB-BRSBDYLESA-N 366.458 1.449 0 40 FDAB O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCN(c2cccnc2)CC1 19221433 VAUVKPGAAPDQKP-UHFFFAOYSA-N 360.417 1.915 0 40 FDAB O=C(NCCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 72032628 TXFCJGYCRCZTRN-MRXNPFEDSA-N 369.421 1.359 0 40 FDAB CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1 97012598 LFHBZYITMKTSNO-CQSZACIVSA-N 353.448 1.035 0 40 FDAB C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 95462002 SKRKFWFBDFXCJR-SNVBAGLBSA-N 367.464 1.305 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC[C@@H]1[C@@H](C)O 95993516 HRLUYHBYKOJACM-CXAGYDPISA-N 366.483 1.811 0 40 FDAB CSc1nc(C)c(CCC(=O)OCCc2c(C)n[nH]c2C)c(=O)[nH]1 89522789 RRPGPCXZVOFRHW-UHFFFAOYSA-N 350.444 1.859 0 40 FDAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1nnc[nH]1 89575521 SBLDYXKXOBTJNO-UHFFFAOYSA-N 374.378 1.985 0 40 FDAB CCn1ccnc1CNc1cc(S(=O)(=O)NC2CC2)ccc1OC 75107686 XYSDFPUYOPBMJS-UHFFFAOYSA-N 350.444 1.964 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c[nH]1 509556838 LAJPISNVLYPFDH-UHFFFAOYSA-N 369.374 1.489 0 40 FDAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)O)cc1 408709968 JRHBAWKFVKNDEV-AWEZNQCLSA-N 369.421 1.361 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)cn1C 72401183 NPURSEYSZUDSNQ-LLVKDONJSA-N 350.400 1.414 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1 71333026 WSKYIUNPFMRIFX-OAHLLOKOSA-N 353.426 1.940 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Cl)[C@H](C(=O)O)C1 79440052 LQAVNMCCVSWEKN-NSHDSACASA-N 369.805 1.881 0 40 FDAB O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4 72396361 YVEUQXLFDSTANC-UHFFFAOYSA-N 371.393 1.653 0 40 FDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)N[C@H]1COc2ccccc2C1 47094192 GAZOEHXXUZCWQN-JKSUJKDBSA-N 353.426 1.748 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCN(C)c2ccccc2)s1 223771086 HGPLAZNFFHVPFT-UHFFFAOYSA-N 369.472 1.301 0 40 FDAB COC(=O)CSc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 224622812 WZKXNGFDUXXMSV-SNVBAGLBSA-N 367.408 1.582 0 40 FDAB Cc1cc(NC(=O)CN2CC(c3nc(Cc4ccccc4)no3)C2)no1 75156416 XFBZMCPLUMWLRY-UHFFFAOYSA-N 353.382 1.995 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1nc(-c2ccsc2)no1 40153540 BJYBSPLNTDLUBN-LBPRGKRZSA-N 356.473 1.702 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@@H]2C(=O)O)cc1 96198721 QGONOYXHPYQUDC-GOEBONIOSA-N 352.456 1.697 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)cn1 96060747 RVHYYJVLDKJWIA-MRXNPFEDSA-N 353.430 1.260 0 40 FDAB CNC(=O)N1CC[C@]2(COCc3c(C)nc(NCc4ccco4)nc32)C1 96244638 JMKQSGAAMBKAMV-GOSISDBHSA-N 357.414 1.803 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n1 96054366 SZDAWJSDTNLZEP-MSOLQXFVSA-N 356.426 1.720 0 40 FDAB Cc1noc(C)c1Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O 98213191 XOISXSMPCXNWSI-UHFFFAOYSA-N 371.372 1.493 0 40 FDAB COc1ncccc1C(=O)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247885979 RPAWXDVLVZSRCJ-AWEZNQCLSA-N 369.425 1.614 0 40 FDAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)ccc2n1C 608247578 FQLOWMJWDCXMDD-GOSISDBHSA-N 355.398 1.541 0 40 FDAB Cc1cccc(OCCN(C)C(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2C)c1 643623647 OFWSPSAWQRPTDI-MOPGFXCFSA-N 356.470 1.877 0 40 FDAB COC[C@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1cccc(OC)c1 643879282 OFETXIFQNQILCT-SFHVURJKSA-N 350.415 1.219 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)COc1ccc2ccccc2c1 643954410 WACLDRHWDICYDQ-HXUWFJFHSA-N 356.422 1.972 0 40 FDAB C[C@@H](C(=O)NC(=N)NC(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O 1775976009 HZQMAGMRFAZOBG-VIFPVBQESA-N 360.370 1.247 0 40 FDAB Cc1ccccc1N1CCC(O)(CN(C)[C@]2(C)CCS(=O)(=O)C2)CC1 585282549 GQXGVZHAFIXUCT-GOSISDBHSA-N 366.527 1.835 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@@H]12 585109397 MXLKDRKXPJIMOL-NUJGCVRESA-N 355.394 1.149 0 40 FDAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 585100817 XSUUQALVDBERBI-HXUWFJFHSA-N 373.501 1.390 0 40 FDAB Cn1ccc(CC(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 585100902 CFHXPNQVGKDZHG-IBGZPJMESA-N 353.426 1.403 0 40 FDAB CNc1cccc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)n1 1615143567 PTVAWXQNLGHKAV-FQEVSTJZSA-N 355.438 1.878 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccncc1 17585094 XTKIVBHRZLNNAU-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19457576 DPGSIUNLBOLENH-JKSUJKDBSA-N 368.485 1.703 0 40 FDAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)no1 19553679 KJDFLASVXDMTCB-CQSZACIVSA-N 361.446 1.472 0 40 FDAB CC(C)C(=O)N(C)Cc1nc([C@H]2CC(=O)N(C(C)C)C2)cc(N(C)C)n1 19700855 MXLJFODDAWZTBH-AWEZNQCLSA-N 361.490 1.881 0 40 FDAB CC(=O)N[C@@H]1CN(Cc2cnc(C)s2)C2(CCN(C(C)=O)CC2)C1 19704139 PNNGDBVIDQVQRS-HNNXBMFYSA-N 350.488 1.543 0 40 FDAB COc1ccc(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)cn1 19747966 DHFICHLSRSFXBB-QGZVFWFLSA-N 353.422 1.911 0 40 FDAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCCN2C(=O)c2cnccn2)n1 19766503 JFKRXOUHVMNEDN-MRXNPFEDSA-N 366.425 1.835 0 40 FDAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cn(C)nc1OC 12422643 NXVUXPIJBROPSO-UHFFFAOYSA-N 352.464 1.714 0 40 FDAB Cn1ccnc(N2CC[C@H](Oc3ccncc3Br)C2)c1=O 1888842786 BCEQZPPYGKITSV-JTQLQIEISA-N 351.204 1.596 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c1 1888867047 HCKBFMCPSZFUFR-GFCCVEGCSA-N 363.443 1.177 0 40 FDAB Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037984759 MTPSPHIKRNGQKX-ZHALLVOQSA-N 369.396 1.652 0 40 FDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1Br 89091804 OQYKOUUELKAYIG-KCJUWKMLSA-N 351.241 1.994 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 1614927809 CFXXZDRWJCGHAW-QFBILLFUSA-N 368.437 1.920 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565547112 NMBORQAXKKPOBE-FOLVSLTJSA-N 363.483 1.229 0 40 FDAB O=C(Nc1ccccc1)c1cnc2n1[C@@H](CNC(=O)[C@@H]1CCOC1)CC2 1565553223 PCXAQHRSTDLBJI-UKRRQHHQSA-N 354.410 1.775 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c(C)c1 4313345 HPHBGBFOFBHGEH-UHFFFAOYSA-N 368.397 1.639 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1 27197169 BGCIDQPBFVTPAO-HNNXBMFYSA-N 354.403 1.459 0 40 FDAB Cc1ccn2c(=O)c(C(=O)NCc3nnc4n3CCCCC4)cnc2c1 76340845 MJXBBIVKLCCSCV-UHFFFAOYSA-N 352.398 1.251 0 40 FDAB CCn1c(=O)c2ccccc2n2c(COc3ccccc3C(N)=O)nnc12 40023319 CDUCIYOWHKBRFG-UHFFFAOYSA-N 363.377 1.742 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccnc(-n2cccn2)c1 40120957 XLEBYFMTFMKFML-UHFFFAOYSA-N 362.455 1.631 0 40 FDAB NC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2c2ccncc2)=NN1c1ccccc1 30614780 BBNFZQIVIDYBPZ-QZTJIDSGSA-N 363.421 1.865 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCC1 1330891 FTZIRZHROXXKCZ-UHFFFAOYSA-N 357.801 1.858 0 40 FDAB O=C(C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCC1 20718894 PKEGCJPMIZILBX-UHFFFAOYSA-N 368.437 1.465 0 40 FDAB O=C(NCC1(c2ccccc2)CC1)N1CCC(C(=O)N2CCOCC2)CC1 32889697 PGTIGVZDDJHRRU-UHFFFAOYSA-N 371.481 1.999 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCO2 42043053 URIDNZXUKDKWBC-OAHLLOKOSA-N 352.456 1.094 0 40 FDAB CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCOCC1 42379198 CQRDMRKGSWIWKB-MRXNPFEDSA-N 366.506 1.141 0 40 FDAB COCc1ccc(C(=O)NS(=O)(=O)c2ccsc2C(=O)OC)cc1 42314391 DLTKXKMIDXVRPK-UHFFFAOYSA-N 369.420 1.800 0 40 FDAB CCN1C(=O)c2cccc3c(NC(=O)CN4C(=O)CCC4=O)ccc1c23 954844 MWZRLPGVEKHFHZ-UHFFFAOYSA-N 351.362 1.907 0 40 FDAB COc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100617397 NXQZGFRYSIAPQG-MGPQQGTHSA-N 352.456 1.766 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[nH]3)cc2)N(C)C)cc1 25451085 VDKBHVGFWPPZJY-QGZVFWFLSA-N 366.425 1.908 0 40 FDAB O=C1CN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 57738508 RSXRSWVXQCFUEL-OALUTQOASA-N 370.474 1.744 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 57739661 SYTHAOWHORIQML-UHFFFAOYSA-N 359.426 1.322 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1CCOC1)C2 306125340 CMXRFQJWEJUZGH-SJORKVTESA-N 359.470 1.558 0 40 FDAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1sccc1C(N)=O 10032673 XCCLLGMOHLDOML-SSDOTTSWSA-N 351.359 1.752 0 40 FDAB CC(C)COc1cccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 58282419 CDPDIGGHMUEBFM-INIZCTEOSA-N 368.499 1.457 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)OCN1C(=O)c2ccccc2C1=O 2297179 MOPCZJUWMRBUBZ-UHFFFAOYSA-N 364.313 1.080 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 10663073 JXCPLNPUNOPOKK-UHFFFAOYSA-N 367.402 1.577 0 40 FDAB O=C(Cc1noc(C(=O)NCc2ccccn2)n1)Nc1ccc(F)cc1F 36358835 DPFFPRGHZXYGGV-UHFFFAOYSA-N 373.319 1.854 0 40 FDAB CCCCn1c(S[C@@H](C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O 3370388 KOPJXQVAPJRMJZ-JTQLQIEISA-N 363.439 1.949 0 40 FDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCO2 8156094 QZBOXLDFCRWOPN-LBPRGKRZSA-N 373.409 1.500 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1)N1CCCCCC1 48251672 YPGMUTQGSXHVSL-UHFFFAOYSA-N 359.474 1.448 0 40 FDAB 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1.639 0 40 FDAB CCc1cnc(OC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1 1776001602 AUGRZGWIOSJNKO-UHFFFAOYSA-N 351.432 1.005 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1cccc(F)c1)CCO2 2037984684 KBQFDIWUBPMGJF-SFHVURJKSA-N 350.390 1.304 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@](O)(COc3ccccc3)CC2)n1 2037912906 CCTIXFRRRFPNJP-HXUWFJFHSA-N 371.437 1.374 0 40 FDAB Cc1ccc(C(=O)c2ccc(CC(=O)OCC(=O)OCC(=O)O)[nH]2)cc1 2061000039 XDTIKDPKUQQPBF-UHFFFAOYSA-N 359.334 1.268 0 40 FDAB COc1cc(C(=O)N2CC[C@]3(CCc4nc(C)cc(=O)n4CC3)C2)on1 1614940399 JMWWMGNRKCAYFT-SFHVURJKSA-N 358.398 1.417 0 40 FDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1cc(OC)no1)CC2 1146934555 GQBBIFCGFHPVSK-ZDUSSCGKSA-N 365.430 1.420 0 40 FDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1565546996 LJOPXFZYSZNKIP-VQIMIIECSA-N 363.458 1.521 0 40 FDAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1C[C@@H](C)O[C@H](C)C1 4304846 DRQOMWRTPNVOQQ-CHWSQXEVSA-N 365.455 1.466 0 40 FDAB COc1cccc(CNC(=O)Cn2nc3c(cc2=O)CCCC3)c1OC 8600564 AFDMDVGCWOAJLN-UHFFFAOYSA-N 357.410 1.456 0 40 FDAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2ccccc2)n1C 9877843 LMBQNCZWIDXJMH-UHFFFAOYSA-N 373.398 1.554 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccn2)CC1 2055745776 ZOYDYLFYKDNJBK-UHFFFAOYSA-N 370.428 1.983 0 40 FDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccccn2)C1 2055756575 ZBLBICUGRHHYPA-FOIQADDNSA-N 368.437 1.134 0 40 FDAB O=S(=O)(NCCn1ccn2nccc12)c1ccccc1Br 206746859 OQELZWZVJCWKDY-UHFFFAOYSA-N 369.244 1.877 0 40 FDAB O=C([C@H]1CCCN(Cc2nnc3n2CCC3)C1)N1CCC(F)(F)CC1 2298188620 HJRSDDWOBDXVHH-ZDUSSCGKSA-N 353.417 1.694 0 40 FDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 7985217 QWFZXPNJBAPTLJ-RCBQFDQVSA-N 370.405 1.429 0 40 FDAB CS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 16438323 ZASNDVXEBIIUGC-UHFFFAOYSA-N 356.835 1.467 0 40 FDAB COc1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc(OC)c1OC 36728419 UQDTYYADBNYCOG-UHFFFAOYSA-N 350.415 1.653 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(Br)c2)ccc1=O 29484915 KWVTZHVWSVRRJJ-UHFFFAOYSA-N 352.188 1.905 0 40 FDAB CNC(=O)c1nn(CC(=O)Nc2cc(F)cc(F)c2)c(=O)c2ccccc12 32903120 BRFMFMKIDDQYJB-UHFFFAOYSA-N 372.331 1.673 0 40 FDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(F)cc1 24929752 UEXNAESLOFSZSK-NFAWXSAZSA-N 369.418 1.172 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 21970551 TWTJUJIICGNXEN-UHFFFAOYSA-N 361.442 1.770 0 40 FDAB CCOc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C 806636 YNSFZFFMRIQNJO-INIZCTEOSA-N 362.411 1.217 0 40 FDAB CCCCn1nc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)ccc1=O 23019343 MBMXXTROVDBLHX-UHFFFAOYSA-N 364.427 1.667 0 40 FDAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCOCC1 1012900 MKQDSIVWSVVZTL-UKTHLTGXSA-N 350.371 1.721 0 40 FDAB CN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 100164735 YAFNSGRWAMGEPN-MIALQEHNSA-N 353.422 1.199 0 40 FDAB O=C(NCc1ccco1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 103128272 JUCBXOUDXLICGZ-DRMAHVMPSA-N 354.362 1.471 0 40 FDAB O=C1[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@]14Br 101179035 GABJUTVSUROVBC-XOQZXJGFSA-N 362.017 1.331 0 40 FDAB COc1ccc(-c2cc3ncn(CC(=O)OCCO)c(=O)c3s2)cc1 58472262 NJRCGBROOZKYFV-UHFFFAOYSA-N 360.391 1.669 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1 24374926 KRGDDODKFLSSNM-UHFFFAOYSA-N 373.482 1.667 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2sccc2C)n2ncnc2N1 54672265 OFDFKWZAZARENL-CQSZACIVSA-N 358.471 1.711 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(C(=O)O)c1 1462418 RTXDXYGSDYYIQU-UHFFFAOYSA-N 360.347 1.168 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 25233681 XJMBFHZQOBXFTO-UHFFFAOYSA-N 362.407 1.281 0 40 FDAB C[C@@H]1Oc2c(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cccc2[C@H]1C 35307986 FLGMNZNRQOXBMC-HOTGVXAUSA-N 371.481 1.951 0 40 FDAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)C1CC1 57328756 RMDFQMWULUSOPV-RIYZIHGNSA-N 360.391 1.978 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 57820767 CIJQGMLKQAFSGL-UHFFFAOYSA-N 366.462 1.004 0 40 FDAB Cc1ccoc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618364 XWVRAVVJBREOQZ-UHFFFAOYSA-N 358.423 1.615 0 40 FDAB O=c1c2c(nc3n1CC1(CCNCC1)C3)CCN(Cc1ccccc1)C2 306142374 WXZHVROZBPQAIF-UHFFFAOYSA-N 350.466 1.728 0 40 FDAB COCCN(CCOC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 58156737 FDUDNYFWINEZBO-UHFFFAOYSA-N 351.403 1.035 0 40 FDAB COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 58324053 XNUGOMGFUGSHBB-ZDUSSCGKSA-N 355.232 1.816 0 40 FDAB COc1ccccc1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 36393768 GBQUSINRECXEPX-UHFFFAOYSA-N 353.378 1.928 0 40 FDAB CC(=O)NCc1ccc(C(=O)OCC(=O)NC(=O)NCCC(C)C)cc1 12888943 IEBJRJPXQMNWLY-UHFFFAOYSA-N 363.414 1.351 0 40 FDAB Cc1ccc(F)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12910633 TYIVESXSFUGQBN-LLVKDONJSA-N 367.402 1.238 0 40 FDAB O=C(COC(=O)c1cccc(Cl)c1Cl)N[C@@H]1CCS(=O)(=O)C1 3530900 QBZUFMVBQVPDJQ-MRVPVSSYSA-N 366.222 1.454 0 40 FDAB COc1cccc(NC2=C(Cl)C(=O)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 4371865 QZWCKEMQMSHQNA-JTQLQIEISA-N 370.814 1.113 0 40 FDAB COCCN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4392159 OQNDUYGXUGDCNR-ZDUSSCGKSA-N 361.847 1.381 0 40 FDAB CN(C)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccco1 14246068 UDMIVODXWRWQCS-CYBMUJFWSA-N 352.416 1.351 0 40 FDAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c1 22931033 DQHAGXZDLANSBH-QGZVFWFLSA-N 358.486 1.562 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 6849423 YHUHVYCZVBXWPC-GFCCVEGCSA-N 365.333 1.666 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 8729235 RPAGLWQUAGLBQN-MRXNPFEDSA-N 353.378 1.797 0 40 FDAB C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034094 GXIDXARVELAHFA-DOHNZKJLSA-N 361.829 1.879 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 83984925 XYLGRONKQWAZGL-MRVWCRGKSA-N 358.410 1.609 0 40 FDAB O=C1O[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 89834904 RJVBGELSFKLPQR-QZTJIDSGSA-N 364.401 1.685 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1F 72404883 SGMIYLPQDHVZRC-ZDUSSCGKSA-N 372.404 1.475 0 40 FDAB COc1ccc(C(=O)CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1 95480347 LOFPLKWGFOYDRC-UHFFFAOYSA-N 355.329 1.423 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cn1 95475915 FCPUNWKANOGDED-LLVKDONJSA-N 351.366 1.958 0 40 FDAB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc3c(c1)CCO3)CCO2 306137785 RGIMTTFJUAPNAX-TZIWHRDSSA-N 374.481 1.898 0 40 FDAB COc1ccc(N2Cc3nn(CC(=O)N4CCCCC4)c(=O)n3C2=O)cc1 1547201228 RBBDWWLZNGNIHA-UHFFFAOYSA-N 371.397 1.054 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1C 408625260 RQNHOJCUOQJEPW-UHFFFAOYSA-N 363.439 1.245 0 40 FDAB CCOc1c(I)cc(C(=O)NCCO)cc1OC 409375741 OSDGTGDMHFYKMM-UHFFFAOYSA-N 365.167 1.421 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@@](O)(c1nccs1)CO2 72335690 GKFPYONHFUZRSI-KRWDZBQOSA-N 362.455 1.468 0 40 FDAB O=S(=O)(Nc1ccc2nncn2n1)c1ccc(Br)s1 33127249 PKGWPRRHKUXSBZ-UHFFFAOYSA-N 360.218 1.749 0 40 FDAB CCOC(=O)C1(C(=O)OCC)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 217998616 IWNZBBYDESTGED-GFCCVEGCSA-N 360.815 1.999 0 40 FDAB CN(Cc1cc(C(=O)O)ccc1Cl)C1CCN(S(C)(=O)=O)CC1 565103913 HMRSWEDXZCRMLH-UHFFFAOYSA-N 360.863 1.894 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218635935 BGOVWFCZECJKAB-XEZPLFJOSA-N 358.435 1.558 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(S(=O)(=O)c2cccs2)CC1 36056100 CDEZZIARTPUVID-LBPRGKRZSA-N 359.517 1.358 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)c1 225515033 YTTADVSWWKVFCX-OLZOCXBDSA-N 354.410 1.445 0 40 FDAB O=c1c(S(=O)(=O)N2CCOCC2)cccn1Cc1cc(F)cc(F)c1 49408839 IMCXOYLDGJPDOT-UHFFFAOYSA-N 370.377 1.196 0 40 FDAB O=C(Nc1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224332316 DZNFVFOUOKUZEC-UHFFFAOYSA-N 368.441 1.667 0 40 FDAB Cn1nncc1S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 333355284 WMIJBMGGDCLGCM-CYBMUJFWSA-N 352.391 1.380 0 40 FDAB CN1C(=O)[C@@H]2C[C@@H](CN2S(=O)(=O)c2ccccc2)Oc2ccccc21 96111729 VBPSJMBJJNXSNR-BBRMVZONSA-N 358.419 1.874 0 40 FDAB biogenic,in-vitro C[C@@H](CNC(=O)N1CCN(c2ncccc2F)CC1)CN1CCOCC1 90588142 WYSVLAWSNRKQFY-HNNXBMFYSA-N 365.453 1.021 0 40 FDAB O=C(NCc1cc(=O)n2c(n1)CN(Cc1ccccn1)CCC2)C1CC1 96197640 ROOYPNGLONQPJW-UHFFFAOYSA-N 353.426 1.070 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)Cn2ccc3ccc(F)cc32)cc1 95475956 JTHNTJYUMFHULW-UHFFFAOYSA-N 361.398 1.744 0 40 FDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)NCc3ccccc3)C1)COC2 96243998 JUGFOUVJZIQEQN-HXUWFJFHSA-N 367.453 1.926 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248093562 CNPQLLVHIADDDV-GAPZROTKSA-N 369.465 1.715 0 40 FDAB COCc1c(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)noc1C 257260108 LBIDVEOXGYKZRS-BFYDXBDKSA-N 351.447 1.627 0 40 FDAB CC(C)Cn1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)cn1 583620953 OJLTUJHLAOQYSL-RHSMWYFYSA-N 358.446 1.365 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccc(F)c1 257335096 YIQOSQLSIJDCTG-LBPRGKRZSA-N 353.375 1.166 0 40 FDAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)n1 257288235 PTLMQVJNKJUSRZ-MRXNPFEDSA-N 368.397 1.696 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)cn1 257238154 HJUQHPRBXWFEGW-CQSZACIVSA-N 352.398 1.159 0 40 FDAB CC(=O)NCC(=O)N1CCC(c2cncc(Nc3ncccc3C)n2)CC1 257205471 AZFQQEOGTAOHOW-UHFFFAOYSA-N 368.441 1.766 0 40 FDAB CCCn1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)n1 257280417 OKTFPCIFFVYBOT-SFHVURJKSA-N 358.446 1.187 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(Br)c(C)c1 643940225 BMFGNAPSGXQFJV-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cnn(C)c2-c2ccccc2)C1 644038440 KTXLWOZXIKDYQS-LJQANCHMSA-N 356.426 1.190 0 40 FDAB Cc1cccc2[nH]cc(CCNC(=O)[C@H]3Cn4c(C)nnc4CN3C)c12 644335826 CEZFCECRNJLGHH-MRXNPFEDSA-N 352.442 1.549 0 40 FDAB C[C@H](NC(=O)NC[C@H]1CCCCS1(=O)=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 655873895 KIJYNSBGAPGDLE-QNWHQSFQSA-N 360.476 1.388 0 40 FDAB CN1CCC(N2CC[C@@H](N(C)C(=O)[C@@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)CC1 663135176 MQIRLNPSBYGHIG-JTWUUNPKSA-N 363.502 1.504 0 40 FDAB CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C2CCC2)C1 1198214224 JQDSQCHKCPXJDE-QZTJIDSGSA-N 359.470 1.254 0 40 FDAB C[C@@H]1OCCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H]1C(F)(F)F 622986334 XPYGFOUJKUPSIM-ZANVPECISA-N 356.300 1.461 0 40 FDAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 623002898 CZZXQYHWDHYPHF-LLVKDONJSA-N 373.356 1.838 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)c3c[nH]c(C(F)(F)F)c3)C[C@H]2O)cn1 628249827 SYPAUUXVQWDRJL-VXGBXAGGSA-N 358.320 1.514 0 40 FDAB CCOc1cc(C(=O)N2CCOCC(F)(F)C2)ccc1OCC(=O)O 630297799 AXDBLTVXKQHBBJ-UHFFFAOYSA-N 359.325 1.656 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@]1(O)CCc2ccccc2C1 90611472 QXGUKQKOLVJNAL-HXUWFJFHSA-N 352.390 1.631 0 40 FDAB O=C(c1cnn2cccnc12)N1CCO[C@@](CO)(Cc2ccccc2)C1 585273439 VOSRQUNSZVYKBQ-IBGZPJMESA-N 352.394 1.176 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)CC[C@@H]1Cc1cccc(F)c1 585280159 YSWZBHNPXRTAEU-CZUORRHYSA-N 353.419 1.817 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC3CCC(F)(F)CC3)[C@H]3CO[C@@H]2O3)n1 952844949 WDAQQVGDMJCJIO-DGXTUMSLSA-N 357.401 1.693 0 40 FDAB biogenic,in-vitro CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1 70019516 UQKIMOZEEDSULR-OAHLLOKOSA-N 368.455 1.352 0 40 FDAB COc1ccc(CCN2C(=O)C[C@@H](NNc3ccccc3)C2=O)cc1OC 1298651 IUNPOVPWQARATB-MRXNPFEDSA-N 369.421 1.991 0 40 FDAB O=C(c1cnccn1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267390 YIHCTZRDTCXUAT-MRXNPFEDSA-N 373.438 1.059 0 40 FDAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 13340354 TUEJKXQCFXLLDU-SNVBAGLBSA-N 367.832 1.523 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ncnc21 13532700 HGWRJEOBOUHJQI-UHFFFAOYSA-N 371.832 1.303 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NCCc1c[nH]cn1 13592629 DHQJEHDPNWOOHH-UHFFFAOYSA-N 373.432 1.337 0 40 FDAB O=C(CCc1ccno1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19406225 NVSOSTASNMDKCO-AWEZNQCLSA-N 357.414 1.255 0 40 FDAB CCn1cc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cn1 19525096 FEMJMIDNNULOOZ-QGZVFWFLSA-N 364.471 1.255 0 40 FDAB CC(=O)N[C@@]12CN(Cc3cn(C)c4ccccc34)CC[C@@H]1CN(C(C)=O)C2 19713563 PUEFVYWFOINZJQ-WIYYLYMNSA-N 368.481 1.737 0 40 FDAB Cn1cccc1[C@H](O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206697583 WGYSCPGZKXHCHD-GFCCVEGCSA-N 358.366 1.485 0 40 FDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1cnn2cccnc12 643585235 WSKVQBFSKQVXCP-KBRIMQKVSA-N 352.394 1.678 0 40 FDAB CCCN1C(=O)NC2(CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)C1=O 17271774 LRQLYTPRFLDCOG-AWEZNQCLSA-N 359.426 1.777 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)Cn2ncccc2=O)C3)nc1 1888853597 NDZYOZAKJUXSJD-KXBFYZLASA-N 369.425 1.049 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4F)C[C@H]3C2)n1 1888866505 XAUOOMJUZVMHFR-OKILXGFUSA-N 362.430 1.681 0 40 FDAB Cc1cc(C(F)(F)F)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888901190 OLWQDSOPYLCBSP-UHFFFAOYSA-N 364.335 1.797 0 40 FDAB Cn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)cn1 248100431 DPMVREPKDPCTHK-KSZLIROESA-N 355.442 1.681 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@@]2(CCCN(Cc3ccnn3C)C2)C1 2056224195 GIZFYEHDIGPTHW-HXUWFJFHSA-N 370.501 1.980 0 40 FDAB COc1ccc(C(=O)CSc2nc3c(cnn3CCO)c(=O)[nH]2)cc1 7418297 XFOLRARIUHXYGW-UHFFFAOYSA-N 360.395 1.096 0 40 FDAB CC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(C)c1 15780651 VPQDHBUSBRSHCM-UHFFFAOYSA-N 356.419 1.494 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)C4CC4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796028 MPVMRYSIAKJZLD-LAUBAEHRSA-N 359.514 1.969 0 40 FDAB COc1cccc(NC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1 49411076 ZICWNSAXLRYTRF-UHFFFAOYSA-N 358.398 1.036 0 40 FDAB Cn1nnnc1SCC(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575610227 FQFGSSPXGGEEIM-VIFPVBQESA-N 354.823 1.031 0 40 FDAB C[C@H](NC(=O)C(=O)NCC1(OCCO)CCSCC1)c1ccccc1 888107101 LXKNWTDKMWGQLL-AWEZNQCLSA-N 366.483 1.255 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCc2ccccc21 10198326 ZPWJRDBZPMAEDO-UHFFFAOYSA-N 355.785 1.672 0 40 FDAB C[C@@]1(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CCS(=O)(=O)C1 40012840 IODWAHTYTILMKP-MRXNPFEDSA-N 373.858 1.737 0 40 FDAB CCC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 40151814 QOKAUYUECRPXDD-LBPRGKRZSA-N 362.455 1.734 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(Br)cc2)n1 6593886 AHTYIBTWKPKNPE-UHFFFAOYSA-N 369.248 1.972 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)nc2n1 6788860 QFCOWPYWQWQTSL-UHFFFAOYSA-N 356.411 1.643 0 40 FDAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2ncccn2)C1 32425253 NWHIUYRTECVJAW-AWEZNQCLSA-N 350.426 1.928 0 40 FDAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 32759010 ZKAZVQAXSZONQH-CQSZACIVSA-N 364.471 1.841 0 40 FDAB COCCCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 8132682 FZIPVUOJXQZUJW-UHFFFAOYSA-N 354.472 1.874 0 40 FDAB Nc1nc(COC(=O)c2cccnc2N2CCOCC2)nc2ccccc12 32778481 YXDLOSOCLBDLEH-UHFFFAOYSA-N 365.393 1.801 0 40 FDAB CCOC(=O)N1[C@@H]2C=C(C)[C@@H]([C@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 101039825 OJTAKJORQOHLEH-SYAUCNOPSA-N 371.393 1.949 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N3C(S)=NC(=O)C(C)(C)N23)c(C)c1 10153678 SRHUVRRBDJRVTF-GFCCVEGCSA-N 360.439 1.664 0 40 FDAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 8816040 QJVRCDBKVLXGRC-STQMWFEESA-N 350.371 1.582 0 40 FDAB COc1ccc(Cl)cc1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 32810306 OVJBRSYODMNWKV-CJNGLKHVSA-N 368.861 1.816 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1 29852134 QSACIGUXTTUGDH-OAHLLOKOSA-N 350.382 1.485 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)Cc2cccs2)c1=O 33205343 CMFNIOAEUXPWDW-ZDUSSCGKSA-N 371.462 1.992 0 40 FDAB COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 622327 RWHRPBCUCMGYKY-UHFFFAOYSA-N 352.753 1.283 0 40 FDAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCOC3)CC2)n1 100204536 BFBVABPERGWJFG-OWCLPIDISA-N 374.485 1.913 0 40 FDAB CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(N)=O 89694540 PCOPBVVQVZFQRV-SWLSCSKDSA-N 350.438 1.851 0 40 FDAB COc1cccc(CC(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)c1 58180631 CCPMBNLUBJLWSO-UHFFFAOYSA-N 356.426 1.843 0 40 FDAB O=C(Cn1cnnn1)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 58271488 NLZNOCIFVNBIAX-UHFFFAOYSA-N 351.345 1.918 0 40 FDAB CC(C)c1nccn1Cc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 58244271 DFKCGFIXGXUEQG-UHFFFAOYSA-N 367.409 1.544 0 40 FDAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 58202648 QNSQJLSMQJAEFW-QGZVFWFLSA-N 355.438 1.739 0 40 FDAB COc1ccc(NC(=O)COc2c(C)n(CCO)ccc2=O)cc1OC 44902848 KKUXMXOGRISPKF-UHFFFAOYSA-N 362.382 1.184 0 40 FDAB COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)c1ccccc1 58323884 YCKDSPFSHJKSBQ-AWEZNQCLSA-N 368.436 1.057 0 40 FDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 58332382 VWDFXYKCRODFPL-CQSZACIVSA-N 366.483 1.715 0 40 FDAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3250654 FEZNHONGFPNSKY-LURJTMIESA-N 367.711 1.897 0 40 FDAB Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8231912 MYWLCUDHFNOOGH-UHFFFAOYSA-N 362.407 1.447 0 40 FDAB NC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3255736 DQZFHMKDLSCASV-JXMROGBWSA-N 366.439 1.293 0 40 FDAB Cn1cc(-c2ccc3nnc(C4CCN(C(=O)C5CC5)CC4)n3n2)cn1 306124537 BTELRUDTDBGNSZ-UHFFFAOYSA-N 351.414 1.641 0 40 FDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2c(c1)OCCO2 12751980 ZOCFXPBXTSEBBG-INIZCTEOSA-N 371.389 1.606 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)nn1 48290688 XCHDXJSUQRTWKH-UHFFFAOYSA-N 369.347 1.358 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 12894018 LZWJGHPOUZCFIU-GFCCVEGCSA-N 365.455 1.563 0 40 FDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)cc1 39982768 KFKURZVRQOJAMT-UHFFFAOYSA-N 368.389 1.905 0 40 FDAB O=C(c1cccnc1N1CCOCC1)N1CCN(c2ccccc2)CC1 14205358 LXOXEWUQEQMLCP-UHFFFAOYSA-N 352.438 1.881 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1 7276657 ODCXCDBMTPOOQW-AWEZNQCLSA-N 352.460 1.252 0 40 FDAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCc3cccnc3)c2)C1=O 15858594 SATFVAQTGHUMRO-UHFFFAOYSA-N 373.434 1.714 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(C)c1)n2CCOC 8725282 SOHMYGOPZZOZII-UHFFFAOYSA-N 372.425 1.927 0 40 FDAB COc1ccc(OCCNC(=O)Cn2cnc3ccccc3c2=O)cc1 7815514 KFIIPTLYGGBNSN-UHFFFAOYSA-N 353.378 1.600 0 40 FDAB O=C(O)C1CCN(C(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)CC1 9348866 UFBKESQEDPHVPN-XYOKQWHBSA-N 364.379 1.639 0 40 FDAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 9418383 ZTPCUFKNBYJAQN-NWDGAFQWSA-N 354.453 1.899 0 40 FDAB O=C(CNc1ccccc1Cl)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 89814337 OYJFLBGJVULDNH-QFYYESIMSA-N 350.806 1.246 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 97021208 VCIBVDRHNWGFHE-HNNXBMFYSA-N 367.475 1.041 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1 97013424 OQWKELWLXUMFNV-AWEZNQCLSA-N 361.427 1.218 0 40 FDAB CN1C(=O)C[C@@H](C(=O)N2CCc3c(ncn3C3CC3)C2)[C@H]1c1cccnc1 95397151 DOGWYGHHVWOKCN-DNVCBOLYSA-N 365.437 1.717 0 40 FDAB CN(CCCC(=O)O)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 95349474 FTOXVMFMMAISRV-UHFFFAOYSA-N 369.848 1.229 0 40 FDAB CCCNS(=O)(=O)c1ccc(/C=C/C(=O)OCCCNC(C)=O)cc1 78702821 HXVCMWPZHSCARK-JXMROGBWSA-N 368.455 1.458 0 40 FDAB C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccccc1C(F)(F)F 95997652 BGFCTGPQQJMMDD-YGRLFVJLSA-N 358.360 1.939 0 40 FDAB O=C(c1cc(S(=O)(=O)NCCNc2ccccn2)c[nH]1)N1CCCC1 79103793 DTBUEJRVMXYIIY-UHFFFAOYSA-N 363.443 1.036 0 40 FDAB COc1ccc2[nH]ccc(=NCc3nc([C@H]4COCCN4C)n[nH]3)c2c1 1553918503 MNTSWOFGPXMLJW-MRXNPFEDSA-N 354.414 1.399 0 40 FDAB CC(C)CC(=O)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306142969 XPKZEAQSQHHTAI-MRXNPFEDSA-N 366.483 1.660 0 40 FDAB COCCN1C(=O)C[C@H](CNC(=O)c2cocc2C)[C@H]1c1cnn(C)c1C 529504012 WUABHMRUDBRBKN-KDOFPFPSSA-N 374.441 1.596 0 40 FDAB C[C@H]1CCN(c2cc(C(=O)N3CCN(c4cnccn4)CC3)ccn2)C1 530981145 FVVQYUDFKBPOCH-HNNXBMFYSA-N 352.442 1.680 0 40 FDAB COc1ccc(N2CCCC2=O)c(NC(=O)c2ccn3nnnc3c2)c1 79490949 KADGJPQACHWYLM-UHFFFAOYSA-N 352.354 1.512 0 40 FDAB COCCNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325336 CEKMBJCURMMBNK-NSHDSACASA-N 369.468 1.347 0 40 FDAB CCn1ccnc1CN1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 72380582 DNBPZTJQFMOZBG-QGZVFWFLSA-N 372.473 1.826 0 40 FDAB COC(=O)c1sccc1NC(=O)N1CCC(NS(C)(=O)=O)CC1 40051439 PVRYLWFKIGXZAA-UHFFFAOYSA-N 361.445 1.080 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)n1 225405151 ZWMSJKVDESZHQO-LLVKDONJSA-N 363.805 1.590 0 40 FDAB COCC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143012 HVXOOBZWRRMVLN-QGZVFWFLSA-N 350.440 1.175 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 96047108 MVNVRBGBDUKOJF-LJQANCHMSA-N 358.442 1.358 0 40 FDAB CN1CCN(C(=O)[C@H]2CC3(CCN(C(N)=O)CC3)c3ccccc32)CC1 96079367 IKTMXODDOTZVGB-INIZCTEOSA-N 356.470 1.360 0 40 FDAB CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2CNC(=O)c1ccco1 245240079 OBTBBJPBCHWTRO-KDBYPZKRSA-N 353.371 1.406 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C2CCOCC2)Cc2cncn21 247492151 MWGOKZSAAYBUKF-QGZVFWFLSA-N 360.483 1.839 0 40 FDAB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC1)C2 604382018 ZCCVQEUTPMSWJE-MRXNPFEDSA-N 359.445 1.589 0 40 FDAB biogenic,in-vitro Cc1ccc2nccc(N3CC[C@](O)(CNC(=O)CCCCN)C3)c2n1 257244648 IMFRAJOHKNWDIT-IBGZPJMESA-N 357.458 1.125 0 40 FDAB Cc1ncc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1C 257281994 ORVKEEOSHFCPGL-AWEZNQCLSA-N 365.441 1.939 0 40 FDAB COc1ccccc1Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccn1 257228809 FVIWVXXRVHTKJD-QGZVFWFLSA-N 374.462 1.940 0 40 FDAB Cn1cccc(NC(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)c1=O 644358727 RDWFQINMPZPMEG-HXUWFJFHSA-N 355.438 1.741 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(N(C)C(C)C)c1 666041105 GLLZXMCWTDPBMF-GJZGRUSLSA-N 355.460 1.465 0 40 FDAB Cn1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)c(=O)n(C)c1=O 666441038 HXDQCHIQXVTAJY-QGZVFWFLSA-N 355.438 1.438 0 40 FDAB CCn1cnnc1C1CCN(C(=O)c2c[nH]nc2[C@@H]2CCCCN2)CC1 685941664 FZGLCRPCMDSOFU-HNNXBMFYSA-N 357.462 1.856 0 40 FDAB CCn1c(CN2C(=O)Cc3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 1263057252 YNXRKHWIWFXXPT-ZDUSSCGKSA-N 368.441 1.054 0 40 FDAB CN(CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1ccncc1 585280683 NGJXJKNPWLQKIQ-WOJBJXKFSA-N 353.466 1.966 0 40 FDAB CNc1ncc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(C)cc3)[C@@H]2O)cn1 585284471 ITVLJHFUTHCYPB-KBRIMQKVSA-N 356.426 1.775 0 40 FDAB O=C(c1cnc2cnc(Br)cn12)N1CCC[C@@H](OCCO)C1 583650896 XBMBBIBIEYPCKX-SNVBAGLBSA-N 369.219 1.105 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nncs1 14185715 POLWGLZKOXWFNR-MRVPVSSYSA-N 370.481 1.255 0 40 FDAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1Cn1cccn1 19559439 DRWNCFIHZGMSRB-UXHICEINSA-N 370.497 1.971 0 40 FDAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(C(=O)C2CCCCC2)CC3)C1 19709546 PLIHCDPKALDZJA-KRWDZBQOSA-N 373.501 1.969 0 40 FDAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nnc4n3CCNC4)C2)cc1 19711026 RHQIHEIWYRNEGS-MRXNPFEDSA-N 369.469 1.729 0 40 FDAB COc1nn(C)cc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1C 12871308 GNQYAHXMEPTHDD-UHFFFAOYSA-N 364.475 1.575 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 7141435 MNNMCYDGXSYXNZ-LBPRGKRZSA-N 362.363 1.169 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CCC[C@]3(COc3ncc(F)cn3)C2)nn1C 1888869860 OMTKSMHGLOGGOJ-FZKQIMNGSA-N 359.405 1.979 0 40 FDAB O=C(c1ccccc1F)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888908411 JVJHMNWMFCYMHE-CHWSQXEVSA-N 352.373 1.472 0 40 FDAB O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 23995502 XHGFCNBDVKEVKF-UHFFFAOYSA-N 367.449 1.456 0 40 FDAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 1146882831 PDRWYCBKVHNCTB-IBGZPJMESA-N 367.409 1.477 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1=O 1565553246 QCBAKVUDOYMAQD-RXVVDRJESA-N 367.449 1.801 0 40 FDAB C[C@H]1CN(C(=O)[C@H]2[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]32)C[C@@H](C)O1 1565554747 YSUOSWCXRZQKPA-LKZKVLRRSA-N 359.426 1.506 0 40 FDAB NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 4518806 ZVCPDYCJSRERLM-UHFFFAOYSA-N 365.305 1.196 0 40 FDAB CC1=NN(Cc2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148011 BYQSOLQVEKRBCG-NSHDSACASA-N 370.388 1.530 0 40 FDAB O=C(C[C@@H]1CSc2nccc(=O)n21)N1CCN(c2ccccc2F)CC1 12236129 RUMXRCZPAQUYGV-CYBMUJFWSA-N 374.441 1.768 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC)CC1 2055750783 XVXOIYLQKURZCG-UHFFFAOYSA-N 369.487 1.428 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)c1csc(C)n1)OC2 2055759379 RCCKMQKPJHIIGP-JTQLQIEISA-N 363.443 1.186 0 40 FDAB O=C(NCC1CC1)c1nnc2n1CCCC21CCN(C(=O)CCF)CC1 2055793560 SZRGHCIKZZYCMR-UHFFFAOYSA-N 363.437 1.432 0 40 FDAB CN(C(=O)c1cncn1C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973251 KVZSYRPIXBRXSI-UHFFFAOYSA-N 366.400 1.977 0 40 FDAB CCNC(=O)N1C[C@@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@H]2C1 2086894019 NRJIYUXALWIPOD-GJZGRUSLSA-N 355.446 1.377 0 40 FDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCOCC1 6112191 ZFXIROYDIXAVSS-UHFFFAOYSA-N 352.188 1.018 0 40 FDAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1 6681458 IJCUKDBSSDVFIU-UHFFFAOYSA-N 370.452 1.973 0 40 FDAB COc1ccc(NC(=O)c2ccncc2C(=O)N[C@@H](C)C(=O)O)c(OC)c1 20734066 OBYDBUJIPQTTPW-JTQLQIEISA-N 373.365 1.554 0 40 FDAB COc1ccc(CC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954569 VJZXPAILFJSGGV-UHFFFAOYSA-N 353.378 1.871 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 102399091 YIOJKFJHBLLWAO-GASCZTMLSA-N 372.421 1.960 0 40 FDAB Cc1nc(CN2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cs1 32889900 ARMGEYSHSDQNRZ-CJNGLKHVSA-N 352.504 1.253 0 40 FDAB CN1CCN(c2ccnc(SCC(=O)c3ccc4c(c3)OCO4)n2)CC1 12249818 RNFPGBQGCSTLOR-UHFFFAOYSA-N 372.450 1.932 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 665556 ZCWMDXGYHHLODC-UHFFFAOYSA-N 353.263 1.397 0 40 FDAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NC1CCCCC1 12200498 JSMOUWSMZBHNQC-UHFFFAOYSA-N 366.439 1.960 0 40 FDAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 959877 LPRURGCSSTWSCI-AWEZNQCLSA-N 371.393 1.184 0 40 FDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 54484393 URQOSUACYIRJND-MRXNPFEDSA-N 363.433 1.126 0 40 FDAB CCc1nnc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)s1 24014226 TZIRPPBOYUWCNE-UHFFFAOYSA-N 358.427 1.408 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102081334 CNMSUOHMSSSKFU-AUTURXRWSA-N 364.401 1.881 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NOCc1ccccc1 25285539 RBTOTZPBNBEMQY-UHFFFAOYSA-N 367.409 1.626 0 40 FDAB CN1N=C(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC1=O 60355388 FXRPRLVHBLRMGB-UHFFFAOYSA-N 356.470 1.762 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCc4ccccc43)nc2n1 3222099 NEDDXPLKPPQSLB-UHFFFAOYSA-N 351.366 1.487 0 40 FDAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 48083890 KWLJTSOZJJFCTN-MRXNPFEDSA-N 373.457 1.537 0 40 FDAB COC(=O)[C@@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(C)C 2111551 FPCMGCJRDLHNDM-ZENOOKHLSA-N 363.483 1.340 0 40 FDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCC(=O)O)cc1 2127038 VINRFDUIEYRJJY-KAMYIIQDSA-N 358.350 1.650 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 58227056 NRRCMNOUCNDKDM-ZDUSSCGKSA-N 353.463 1.761 0 40 FDAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 58208823 XTDQORZTPWHLDP-NVXWUHKLSA-N 366.527 1.978 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C 12735685 RJWOUSVYSQIGSE-AWEZNQCLSA-N 351.447 1.505 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)Cn3nc4n(c3=O)CCCCC4)ccc21 12810830 WSMOIXRAFVHICL-UHFFFAOYSA-N 369.425 1.319 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 12951896 DDIQJILULRXDKV-UHFFFAOYSA-N 360.433 1.980 0 40 FDAB Cc1nn(CC(=O)Nc2nc3c(s2)CN(C)CC3)c(=O)c2ccccc12 12945177 DQMPIVYWGXWFHO-UHFFFAOYSA-N 369.450 1.788 0 40 FDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 69414359 XAABDCHRDYOQTO-RDJZCZTQSA-N 361.442 1.907 0 40 FDAB C[C@H](C(=O)N1CCCC[C@H]1c1nc[nH]n1)n1nnc(-c2ccccc2)n1 179359378 LNGMPATZEJTBQU-OCCSQVGLSA-N 352.402 1.773 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccccc1 4495336 CYTJLKCBVPCZON-UHFFFAOYSA-N 372.402 1.541 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 14108908 VKDGOTHAAONEJJ-OAHLLOKOSA-N 373.482 1.888 0 40 FDAB Cc1nc(C)c(CCC(=O)Nc2cccc(-n3cnnn3)c2C)c(=O)[nH]1 14115548 YIRVEHSWACORCL-UHFFFAOYSA-N 353.386 1.242 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc12 24032821 XOYRNOMGKPDZOH-UBHSHLNASA-N 367.409 1.555 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccc(Cl)c(Cl)c1 4619569 QOYQRLZHFGMDOZ-UHFFFAOYSA-N 368.180 1.369 0 40 FDAB Cc1cc(C)c(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 70694404 CFAWRCCLGIMKJW-UHFFFAOYSA-N 371.481 1.941 0 40 FDAB CN(C)C(=O)[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 17720652 BJYSCPPETRIPGW-INIZCTEOSA-N 351.366 1.649 0 40 FDAB CCCn1c(N)c(C(=O)CSc2cc(F)ccc2F)c(=O)[nH]c1=O 7068779 RBKOHRUUTHFBKA-UHFFFAOYSA-N 355.366 1.782 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](CNC(C)=O)C2)CC1=O 67365367 DCSFTWLXWABUIR-SJLPKXTDSA-N 371.481 1.977 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)s1 15963335 QGKABNUQQDVPAU-UHFFFAOYSA-N 365.459 1.930 0 40 FDAB CC(C)[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NC(N)=O 7791883 VWKIBGDQXBJDAL-AWEZNQCLSA-N 373.365 1.908 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NC(=O)COc1ccccc1)CCC2 96002951 PECPPICOGKTBAE-INIZCTEOSA-N 356.426 1.544 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 9316562 NEDJWSYFTCBBMQ-GOSISDBHSA-N 355.350 1.888 0 40 FDAB COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc(OC)c1 9458928 BYMMHLBAXPOSOX-GOSISDBHSA-N 373.365 1.703 0 40 FDAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 9418642 CXGLHYPNYBVDQR-UHFFFAOYSA-N 353.488 1.882 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 95476085 RFFBFDMQYWRRNM-LSDHHAIUSA-N 368.503 1.074 0 40 FDAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410248 VYPOIVLOPCEQMW-GFCCVEGCSA-N 371.397 1.707 0 40 FDAB NC(=O)c1ccccc1NC(=O)CNC(=O)N1CCc2ccccc2C1 78599568 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Cn1cc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840636 PEEYBAGYMPWNGA-SFHVURJKSA-N 358.373 1.207 0 40 FDAB Cc1cccc(CN2C(=O)CCC23CCN(S(=O)(=O)N(C)C)CC3)n1 1251064726 VYQSDGVROUUQPP-UHFFFAOYSA-N 366.487 1.153 0 40 FDAB Cc1ccc(CCNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952382 REJYBFJKSWZVJX-UHFFFAOYSA-N 351.406 1.747 0 40 FDAB CCOc1ccc(-c2nc(SC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4341343 RQUZZPURRRJTRX-UHFFFAOYSA-N 358.423 1.815 0 40 FDAB O=c1c2[nH]c3ccc(F)cc3c2nc2n1[C@@H]1CS(=O)(=O)C[C@@H]1S2 4593513 SQIMMBDVXPCISW-ZJUUUORDSA-N 351.384 1.461 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccccn3)c2C)n1 16849578 JZQZCUWNCQINGS-UHFFFAOYSA-N 366.425 1.525 0 40 FDAB NC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1 16848274 RKPAQVCDQVSQMG-UHFFFAOYSA-N 366.352 1.782 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2cccc(OC)c2)C1 2055772574 XMEWYLSKLAKDGF-LJQANCHMSA-N 356.426 1.198 0 40 FDAB O=c1c2ccccc2ncn1CC1CCN(c2ccc3nncn3n2)CC1 1775972492 IDHLRHDPQXQYFS-UHFFFAOYSA-N 361.409 1.751 0 40 FDAB O=C(c1cc(Br)cs1)N1CC(CN2C(=O)CCC2=O)C1 618255632 GLNRORPELSXTHS-UHFFFAOYSA-N 357.229 1.732 0 40 FDAB Cc1nccc(O[C@H]2CCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 585147180 VVZUEFDUAPUNCP-INIZCTEOSA-N 370.409 1.691 0 40 FDAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc(C(N)=O)cc1)C(F)(F)F 40049286 HBYZDGKAMWXOKS-AWEZNQCLSA-N 356.304 1.298 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CSc1nnc2[nH]c3ccccc3n12 7244872 DKMCTRURUVNGPW-UHFFFAOYSA-N 374.470 1.676 0 40 FDAB CN(C)C(=O)CN(C)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 51134477 UQJDUCOLKZDTDV-UHFFFAOYSA-N 374.409 1.925 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1 6817862 KXFXUPVTDHRYFE-UHFFFAOYSA-N 370.456 1.586 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3nc(-c4ccccc4)cs3)cnc21 11810923 PBMFGLPGEOROHT-UHFFFAOYSA-N 366.406 1.892 0 40 FDAB Cc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)ccc1-n1cnnn1 46322370 UUTZPWZGNSCVQD-UHFFFAOYSA-N 368.441 1.445 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C 102211076 IGYYVQDRBXNZLU-IYBDPMFKSA-N 372.421 1.960 0 40 FDAB COc1ccc(CCNC(=O)CSc2ncnc3[nH]ncc23)cc1OC 10252195 LKUCXDTVACDNEK-UHFFFAOYSA-N 373.438 1.821 0 40 FDAB CCCCn1c(N)c(N(C)CC(=O)Nc2cccc(F)c2)c(=O)[nH]c1=O 10432120 ZKRGCNVXXCPNRR-UHFFFAOYSA-N 363.393 1.133 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)no1 2664185 LIUTUGFDCPMCFE-AWEZNQCLSA-N 357.366 1.513 0 40 FDAB O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 21822179 ZKBIIRWYLCEGBU-UHFFFAOYSA-N 367.449 1.849 0 40 FDAB CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 37191849 UPTZGHKPKCTNFH-JLTOFOAXSA-N 372.469 1.936 0 40 FDAB CC(C)(CNC(=O)NCc1ccc(Cn2cccn2)cc1)N1CCOCC1 54040762 QMHWTEDXYKCYSZ-UHFFFAOYSA-N 371.485 1.841 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117477 OGZJJHUAOSYJAJ-IKLNNYPDSA-N 371.437 1.654 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2c1=O 47207492 XVVADUOTGMUZLD-HNNXBMFYSA-N 365.389 1.963 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)NC1CCC(C)CC1 24238520 FPCNVTVIFCIPFX-UHFFFAOYSA-N 373.457 1.912 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 24602387 YZBCXSGZORWAHW-CVEARBPZSA-N 357.414 1.259 0 40 FDAB CCOCc1ccccc1CNC(=O)Cc1ccc(S(N)(=O)=O)s1 24773962 AWNIKIOJYWYMDP-UHFFFAOYSA-N 368.480 1.791 0 40 FDAB CSc1ccc(-c2ccc(=O)n(CC(=O)NCCCC(=O)O)n2)cc1 61717833 SLRGWUFMPACEDJ-UHFFFAOYSA-N 361.423 1.613 0 40 FDAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)NC(N)=O)OCCO3 24992671 IMEIOEBPJSNFHY-GFCCVEGCSA-N 359.426 1.841 0 40 FDAB O=c1c2ccsc2ncn1C[C@H](O)COCc1ccc2c(c1)OCO2 24983879 NHQVFLXKWZJMNJ-LBPRGKRZSA-N 360.391 1.764 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(OC)c1)n2CCOC 12529975 ZUKTYELMVGPEIM-UHFFFAOYSA-N 358.398 1.618 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)cc1 57398947 OYFXLALEGTWOHG-AWEZNQCLSA-N 353.426 1.828 0 40 FDAB Cn1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 58101163 NGMWPYDRSKRSDG-MRXNPFEDSA-N 350.426 1.950 0 40 FDAB CC[C@@](C)(Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCOCC1 48253618 HBJYEPBGYPXRIF-KRWDZBQOSA-N 351.834 1.844 0 40 FDAB Cc1c(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 13624245 IBJKDHUFJUSAJB-LLVKDONJSA-N 365.407 1.043 0 40 FDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CC1=O 81481687 FYKHXLFIZGUCFR-LZQZEXGQSA-N 370.497 1.173 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)C1=O 16694763 TYUMNSKUVQFCKT-MRXNPFEDSA-N 359.411 1.864 0 40 FDAB Cc1ccc(OCCNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 69508081 VHTAVFZCHHEYIM-UHFFFAOYSA-N 360.439 1.942 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1cccc(Cl)c1 4986355 ANMSNGRXEJZRPU-UHFFFAOYSA-N 360.863 1.745 0 40 FDAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NC(=O)NCc1ccccc1 8981444 WXLYJLJUCLOHAT-GFCCVEGCSA-N 361.427 1.774 0 40 FDAB O=S(=O)(c1cccc2c1OCCO2)N1CC[C@H](Oc2cccnc2)C1 97015666 UZLLQSRYTCMQPJ-AWEZNQCLSA-N 362.407 1.695 0 40 FDAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCCN(C)CC3)c(C)c12 97218362 RNDUGINXLCHPBW-UHFFFAOYSA-N 359.474 1.690 0 40 FDAB CCC(CC)[C@@H](C(=O)NCCCOC[C@H]1CCOC1)N1CCOCC1 95401916 OFFLDQVGDJOBDP-AEFFLSMTSA-N 356.507 1.683 0 40 FDAB COC(=O)CCCN(C)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 95956184 JMIBZKJPOGONSZ-XUJVJEKNSA-N 357.476 1.124 0 40 FDAB CCc1n[nH]c(S(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)n1 86170279 HQDIVGMOZDEZMN-NEPJUHHUSA-N 350.444 1.449 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 170315163 VSKWKSJKGCZWKA-UHFFFAOYSA-N 356.334 1.837 0 40 FDAB CC(=O)Nc1ccc(Nc2nnc(SCc3ccco3)n(N)c2=O)cc1 28536363 CBWSCLLSPSSODV-UHFFFAOYSA-N 372.410 1.939 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cccc2ccccc12 22934845 CCTXXTXLJAWHAH-UHFFFAOYSA-N 366.465 1.675 0 40 FDAB CCn1cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)cn1 501676213 RFUDLTQDXDLJHA-RHSMWYFYSA-N 356.430 1.261 0 40 FDAB COCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217665056 OGLPRKMVTYEENC-NSHDSACASA-N 360.432 1.146 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1 223243112 UFVJSAVWUBQHPX-UHFFFAOYSA-N 354.453 1.938 0 40 FDAB O=C(CCc1nc2ccccc2[nH]1)NCc1nc(-c2ccc[nH]c2=O)no1 225804698 LGTUIZPCAHZTSW-UHFFFAOYSA-N 364.365 1.550 0 40 FDAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cn1 85879283 YAJXELNQALNIEB-UHFFFAOYSA-N 366.377 1.764 0 40 FDAB biogenic COc1cc(N2C[C@@H]3COC[C@]3(COCc3cccc(C)n3)C2)ncn1 96108933 ICXHXCSEGNEIGH-BEFAXECRSA-N 356.426 1.858 0 40 FDAB NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 97138979 AWVHGJROJDVGJM-OAHLLOKOSA-N 373.388 1.026 0 40 FDAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2cnccn2)Oc2ccccc2N1CC1CC1 96111641 IAHGPSHWCZVUTI-YOEHRIQHSA-N 364.405 1.895 0 40 FDAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)CC1 96071960 BGOOCQARDGKFAX-YLJYHZDGSA-N 357.454 1.992 0 40 FDAB COc1cc(N2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)ncn1 248118733 JGTSRVSAMWXLLM-CQSZACIVSA-N 371.441 1.239 0 40 FDAB COCC(=O)N1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 257340365 ZFRSXUYHRCBBSA-OAHLLOKOSA-N 374.485 1.657 0 40 FDAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCNC[C@@H]3C(F)F)cnc21 585089996 UCKQJCBSBDWHCJ-GFCCVEGCSA-N 351.401 1.945 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2ccnn2C(C)C)n1 257337726 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O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccc(F)cc2)C1 585286178 WPXRFRLNKZZHEW-PZJWPPBQSA-N 372.440 1.596 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3coc4c(C)cccc34)C2)C1 685942580 PDJPCHPBNSKVOO-LBPRGKRZSA-N 355.394 1.160 0 40 FDAB Cc1nc2cc(F)cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c2nc1C 56400479 SBNSZTRXLPXZQT-UHFFFAOYSA-N 371.372 1.200 0 40 FDAB Cc1ccccc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)O)N1c1cnn(C)c1 630656386 QPUQOZFOHBFBNZ-SJORKVTESA-N 356.426 1.809 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2(C(=O)O)CC2)c1 1609998684 ITGFSKFOMIQXAK-UHFFFAOYSA-N 356.400 1.226 0 40 FDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)cn2)CC1 1857793352 XZYVZYSEIQUWJZ-UHFFFAOYSA-N 362.839 1.371 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c(O)n1 1615125637 FUKXYAGEQPERGH-FQEVSTJZSA-N 367.405 1.744 0 40 FDAB Cn1nccc1[C@@H](O)CNc1nc(O)c2cnn(-c3ccccc3)c2n1 1651449464 HKJGRRTYMOMMSY-AWEZNQCLSA-N 351.370 1.400 0 40 FDAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 5257872 XHLUJPISKUWZAY-MRXNPFEDSA-N 373.409 1.884 0 40 FDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)cc3OC)c2n1 5271101 VDZSXMBUZLFPGJ-UHFFFAOYSA-N 371.397 1.568 0 40 FDAB CCOC(=O)C(=O)NCCOC(=O)Nc1ccc(C(=O)OCC)cc1 5797000 LUKVLHNWKWBYSO-UHFFFAOYSA-N 352.343 1.091 0 40 FDAB O[C@H](Cc1ccccc1)CN1CCN(C[C@H](O)Cc2ccccc2)CC1 19366092 PMQHDSURMLJKRQ-FGZHOGPDSA-N 354.494 1.811 0 40 FDAB C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)C1CC1 19751106 DIJTUSCIBFTKNK-CQSZACIVSA-N 353.422 1.693 0 40 FDAB CCOc1ccc(O[C@H](C)c2nnc3n2CCS(=O)(=O)CC3)cc1 630951166 JFDBVDBZEBSAOA-GFCCVEGCSA-N 351.428 1.788 0 40 FDAB Cc1cccc(CS(=O)(=O)N2CC(Oc3ccnc(C(N)=O)c3)C2)c1 1889211625 PDVSZYLDYUFGRZ-UHFFFAOYSA-N 361.423 1.082 0 40 FDAB CC(C)c1noc([C@@H](C)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 31788447 GCLSVUFGJBMQCS-CYBMUJFWSA-N 365.459 1.656 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(F)c(Cl)c1 2037971230 CNDOAZHMRFEIAG-ZSYWTGECSA-N 365.832 1.989 0 40 FDAB O=C(CN1CCCC1)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037984550 FJOONAZTQYOPSB-APWZRJJASA-N 361.461 1.975 0 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367.340 1.758 0 40 FDAB Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCN1CCOCC1 36575835 BWUUNDBWMJLYTL-UHFFFAOYSA-N 372.400 1.260 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1 1328176 ZGOXRLRDFUHMHS-UHFFFAOYSA-N 365.393 1.267 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@@H]([C@H](C)C(=O)[C@H](C)[C@@H]3c3ccco3)[C@]23C=C[C@H]1O3 4041321 VEGDJTLZYKPHPF-WZNKGRKRSA-N 371.389 1.499 0 40 FDAB CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 4122364 HYIGRXNBWMGVPC-UHFFFAOYSA-N 362.451 1.675 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1c(C)nc2sccn2c1=O 6859797 XEQFEFPNPGVUCK-UHFFFAOYSA-N 365.436 1.552 0 40 FDAB NC(=O)COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7581174 VBTIIZWTNODFDW-UHFFFAOYSA-N 357.318 1.319 0 40 FDAB NC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc2c(c1)OCO2)c1ccccc1 11742311 TVZARRNLCVLLGS-AWEZNQCLSA-N 370.361 1.941 0 40 FDAB CCCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2)ccc1=O 21604272 NFFNHGCVXXIUCW-LBPRGKRZSA-N 359.382 1.846 0 40 FDAB biogenic C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2cccs2)C[C@H](C)O1 32914956 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TYUPIAQSAXDZSJ-LSDHHAIUSA-N 357.433 1.860 0 40 FDAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 4317945 DPKKJCBGOBCWFM-UHFFFAOYSA-N 357.414 1.714 0 40 FDAB CC(C)[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1nnc2ccccc2c1=O 5207702 BHAWLRANAWTJHB-INIZCTEOSA-N 362.393 1.926 0 40 FDAB Cn1c(=O)n(Cc2nnc3n(C)c(=O)c4ccccc4n23)c2ccccc21 14094052 BVVTXSNHOFQJOY-UHFFFAOYSA-N 360.377 1.283 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCCn1nnc2ccccc2c1=O 5323357 SWVOCARAJDSCNW-UHFFFAOYSA-N 351.366 1.309 0 40 FDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1nnn(-c2ccccc2)c1=O 14201660 UNKHGBYSSRYBDE-NSHDSACASA-N 369.347 1.618 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 6590634 NBPJOXMBVWKLDK-UHFFFAOYSA-N 371.349 1.669 0 40 FDAB Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 8718135 AQGVHGFNBHTXEU-CQSZACIVSA-N 365.455 1.106 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)N[C@@H]1CCCc2ccccc21 8735561 FTWUJRAKLXIWRY-CQSZACIVSA-N 355.423 1.684 0 40 FDAB COc1cc(C)sc1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 70782130 NYWGPFNPPZSKMA-UHFFFAOYSA-N 362.455 1.833 0 40 FDAB COc1ccc(OCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 7764384 LDHFPCNLDBZTGS-LJQANCHMSA-N 369.377 1.572 0 40 FDAB CNS(=O)(=O)CCN(Cc1cccnc1)C(=O)c1cccc(OC)c1 9304692 RQYUZWRTJZWVHR-UHFFFAOYSA-N 363.439 1.282 0 40 FDAB C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(C)CC1 97598530 DTKNAAXJXDBIFU-LLVKDONJSA-N 366.314 1.908 0 40 FDAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1nc2nc(C)cc(C)n2n1 88269432 LLIBAXAQNKJXQX-KGLIPLIRSA-N 359.430 1.522 0 40 FDAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9985274 KUBVCBUDNMKOSD-UHFFFAOYSA-N 353.444 1.167 0 40 FDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(F)cc1 408998243 ASLACIYJXWZOIE-KGLIPLIRSA-N 367.373 1.922 0 40 FDAB O=C(C[C@H]1CN(Cc2nccs2)Cc2ccnn21)NCc1cccnc1 306135771 PAFDVRAXMCINLS-INIZCTEOSA-N 368.466 1.998 0 40 FDAB CN(C)C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306130658 JMJONJKVMCCVBE-NWDGAFQWSA-N 372.404 1.455 0 40 FDAB Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCC[C@@H]2COC[C@@H]21 1556968782 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O=C(O)[C@@]1(C(F)(F)F)CCN(c2cc(N3CCCC[C@H]3CO)ncn2)C1 567984765 AMQZLWQLIUENKK-XHDPSFHLSA-N 374.363 1.671 0 40 FDAB CN1CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2C1=O 49508073 BCUHOQWGJVHGFR-UHFFFAOYSA-N 363.377 1.984 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106790 AXIQANROTJTINR-MRXNPFEDSA-N 354.410 1.852 0 40 FDAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnn(C)c3)N=C2O)cc1 95477416 KKQVWWWWNCWNSE-AWEZNQCLSA-N 357.370 1.082 0 40 FDAB CC(=O)N1CC[C@H](n2cccn2)c2cc(NC(=O)c3nc[nH]n3)ccc21 96087115 NWIRMPRRTQBFEW-HNNXBMFYSA-N 351.370 1.600 0 40 FDAB Cc1c(Cl)c(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)nn1C 579099084 UQFPDJBCAVTVDQ-NSHDSACASA-N 359.821 1.751 0 40 FDAB COc1ccc(CN(C)CCO)cc1OC[C@H](O)CN1CCCCC1 95528481 NACXTUBDRZGLQW-QGZVFWFLSA-N 352.475 1.345 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247358338 YMSHIJADOUPUPL-ZDUSSCGKSA-N 363.464 1.804 0 40 FDAB Cc1cnc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cn1 253601603 URBJFUZHYZDPLI-HNNXBMFYSA-N 363.483 1.928 0 40 FDAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)NCCC1(O)CCC1 585081411 AVYLPBJSRZUUKC-CQSZACIVSA-N 351.447 1.711 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4ccccc4)C3)nc2n(C)c1=O 257265243 LXVNGZHRYJMJRS-CQSZACIVSA-N 364.405 1.262 0 40 FDAB CN(C(=O)CCn1cnc2ccccc21)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257308892 TYQARIRVROJRSX-ZHALLVOQSA-N 353.426 1.846 0 40 FDAB CCn1cc(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c(C)n1 257332740 XYLZHYVJBFIFFR-IBGZPJMESA-N 370.457 1.064 0 40 FDAB CS(=O)(=O)N1CCC(N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)CC1 257223369 DXASWKSGXVZJJP-NUEKZKHPSA-N 365.503 1.023 0 40 FDAB O=C(O)CN1CCC(NS(=O)(=O)c2cccc(Cl)c2Cl)CC1 275193007 FTEVGRSZNXXYSN-UHFFFAOYSA-N 367.254 1.821 0 40 FDAB C[C@@]12CCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C[C@@H]1C2(F)F 652313006 GVTWPYQMEDJVDF-HEHGZKQESA-N 356.344 1.420 0 40 FDAB NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 95503887 KCXHCKJBATUXHM-OAHLLOKOSA-N 351.410 1.870 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2noc3c2CCCC3)C1 1775957514 YPQQSXRCKVJTHJ-YPMHNXCESA-N 357.414 1.693 0 40 FDAB CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)[C@@]1(O)CCCOC1 620114612 QGZAHVIRZNIQHL-DEXNDLTESA-N 352.475 1.365 0 40 FDAB O=C(C1CCN(c2cnccn2)CC1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621616284 MHDHQNHEEBTFBE-DNVCBOLYSA-N 358.442 1.796 0 40 FDAB Cn1cc(O[C@@H]2CN(C(=O)CCn3ccc4ccccc43)C[C@H]2O)cn1 628256631 FYZNIKMIPRRXOW-QZTJIDSGSA-N 354.410 1.416 0 40 FDAB O=C(O)[C@H]1CCCN1S(=O)(=O)N[C@H]1CCCOc2ccc(F)cc21 645957699 YWHLPEVXGCLRIN-QWHCGFSZSA-N 358.391 1.423 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 569481980 XCSYVJXVMPUMGF-CABZTGNLSA-N 351.783 1.703 0 40 FDAB CCc1ccc([C@@H]2CNCCN2Cc2nnn(CC(F)(F)F)n2)cc1 662273744 ZORWPIOHNXPLON-AWEZNQCLSA-N 354.380 1.944 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccccc3C(C)(C)C)C2)C1 685941200 AJWKMWLHFAIJGQ-ZDUSSCGKSA-N 357.454 1.403 0 40 FDAB COc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1OCC(=O)NC1CC1 56175209 YYZATNDQLLBMKW-CYBMUJFWSA-N 361.442 1.775 0 40 FDAB COc1ccc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)cc1 66863174 FBSVGEXCDJZBEU-UHFFFAOYSA-N 355.442 1.266 0 40 FDAB COCC(=O)N(c1c(C)cccc1C)[C@@H](C)C(=O)O[C@@H](C)C(=O)OC 1857793642 PXBVFNFEVOCEID-KBPBESRZSA-N 351.399 1.776 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1ccccc1 1548925272 FYTVNZRHLLCPKZ-XUVXKRRUSA-N 350.422 1.863 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1 12113672 OZRQEPDXJVHDIZ-UHFFFAOYSA-N 374.391 1.889 0 40 FDAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 13582121 DKZBGABNBKMJRJ-UHFFFAOYSA-N 359.363 1.220 0 40 FDAB C[C@@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N1CCCc2ccccc21 14242652 ZVNBITUYIZKHGE-CYBMUJFWSA-N 359.426 1.688 0 40 FDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 226318279 QPSLOXJLZMVXLI-CYBMUJFWSA-N 366.439 1.387 0 40 FDAB CCn1ccnc1CN1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643586806 DKYKHBAXOLXZQR-JKSUJKDBSA-N 356.426 1.436 0 40 FDAB CCCN1C(=O)NC2(CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)C1=O 17271765 LRQLYTPRFLDCOG-CQSZACIVSA-N 359.426 1.777 0 40 FDAB Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 6643481 GGGZHJSXCSQYPA-UHFFFAOYSA-N 350.795 1.175 0 40 FDAB O=C([C@H]1CCOC1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848736044 SFSUGKALQJYQOQ-AWEZNQCLSA-N 359.401 1.811 0 40 FDAB CS(=O)(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 4553861 GGGFVJVBWPUKAU-CYBMUJFWSA-N 363.457 1.951 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 5272951 DNVVLGXFGUVSFH-KBPBESRZSA-N 354.472 1.733 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2ccccc2OC)CC1 2055772988 GOYHGELSHLHHJR-UHFFFAOYSA-N 372.469 1.646 0 40 FDAB Cn1cnnc1CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 2086881923 FDAPWVHREKPQIO-DGCLKSJQSA-N 352.364 1.940 0 40 FDAB CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccco1 225653596 ZXMHXAHCBSDFJH-HNNXBMFYSA-N 352.412 1.647 0 40 FDAB CCOC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 36666213 ICKBZSMDAAEAMP-AWEZNQCLSA-N 368.455 1.299 0 40 FDAB Cc1ccc2nc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)sc2c1 40039188 ASQCWJLKZBLURD-LLVKDONJSA-N 353.469 1.662 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)cc1 30530696 DVJGGRAAZFQQGS-CQSZACIVSA-N 354.366 1.190 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N[C@@H](C)c3ccccc3)n2)n1 40267804 GPNGPZIZIXTPPV-HNNXBMFYSA-N 351.410 1.923 0 40 FDAB O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)Nc1nncs1 2782795 HXIZVJSHMVHIKS-UHFFFAOYSA-N 361.408 1.725 0 40 FDAB CN(C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1)C1CCCCC1 3321414 FPBIEEFTVUWEPO-UHFFFAOYSA-N 357.414 1.674 0 40 FDAB COC(=O)c1cc(CNS(=O)(=O)N2CCC[C@@H](C)C2)ccc1OC 45797160 YUROPOGRVBJQMN-GFCCVEGCSA-N 356.444 1.548 0 40 FDAB Cc1ccc(OCCOCn2cc(Br)c(=O)[nH]c2=O)cc1 4697962 RJAHLSXSRQXGGI-UHFFFAOYSA-N 355.188 1.661 0 40 FDAB biogenic,in-vitro CCc1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 7724126 KSGNMTVWFOFJHL-ZDUSSCGKSA-N 363.439 1.353 0 40 FDAB CCN1CCN(CN2C(=O)C(=O)c3c(Br)cccc32)CC1 22916855 MZFHPSAHMUJCQE-UHFFFAOYSA-N 352.232 1.573 0 40 FDAB Cc1ccc(NC(=O)NC(=O)Cn2cc(-c3nnco3)ccc2=O)c(C)c1 58167209 QSLUWIJPMDJTAF-UHFFFAOYSA-N 367.365 1.863 0 40 FDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 23541344 BMWDGTZAYKKUOH-YJBOKZPZSA-N 356.422 1.854 0 40 FDAB CC(=O)N1CCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1 42630008 CMGWEBMSDOYPBJ-UHFFFAOYSA-N 356.426 1.357 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(F)ccc2F)cc1 26106944 YQEHDNNOIYWESO-UHFFFAOYSA-N 354.378 1.982 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1 22251187 VHJNVPCRAGIIDR-UHFFFAOYSA-N 366.483 1.904 0 40 FDAB COc1ccc(-n2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 44167805 FPMNKRRSWIXKFJ-UHFFFAOYSA-N 352.350 1.935 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nncs1 61717458 XDSQGIBMEOXDJH-LBPRGKRZSA-N 360.443 1.397 0 40 FDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@]2(C)CCS(=O)(=O)C2)CC1 57817544 QNHMDINHDSHUCO-MRXNPFEDSA-N 360.476 1.327 0 40 FDAB COc1cccc(CC(=O)N2CCC(NC(=O)[C@@H](C)n3cncn3)CC2)c1 58289520 GVDCREWYVCSTPO-CQSZACIVSA-N 371.441 1.198 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCCOc2ccccc21 58232406 ZBWJETCEGFGRRY-HNNXBMFYSA-N 366.425 1.896 0 40 FDAB O=C(CN1CCN(C(=O)CCc2ccccc2)CC1)Nc1nncs1 58217666 LRBWZWXPBCGSGP-UHFFFAOYSA-N 359.455 1.254 0 40 FDAB CSc1ccc(Cl)c(C(=O)NCCN2CCS(=O)(=O)CC2)c1 48235807 MYSQNIFBJQXWAF-UHFFFAOYSA-N 362.904 1.522 0 40 FDAB C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCC1 48355668 KHSGUASVIFANCW-WBVHZDCISA-N 365.499 1.440 0 40 FDAB CN(C)CCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 3644955 DVQCKUSWEHWORO-UHFFFAOYSA-N 350.422 1.892 0 40 FDAB Cc1n[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc1=O 6025103 ZMCIEDWSROMIQU-UHFFFAOYSA-N 361.427 1.041 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 5000988 YGPAYSRRFKGDIX-UHFFFAOYSA-N 356.407 1.812 0 40 FDAB Cc1cc2n(n1)C[C@H](CNC[C@@]1(N3CCOCC3)CCSC1)CN2 65474710 ZFGZGIKPWCZDES-WBVHZDCISA-N 351.520 1.031 0 40 FDAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 4512456 WPHVPQGMUQRTAT-GFCCVEGCSA-N 373.365 1.526 0 40 FDAB COc1ccc(NC(=O)CN2CCC(C)CC2)cc1S(=O)(=O)N(C)C 7460195 SAWZKTKEKMGNET-UHFFFAOYSA-N 369.487 1.616 0 40 FDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 80693682 BWQPMCLZJPDHRF-QGZVFWFLSA-N 372.469 1.740 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H]2CC=CCC2)C1=O 7782668 IACBUIAZYVJKQZ-ORAYPTAESA-N 371.393 1.384 0 40 FDAB Cn1cc(C(=O)N2Cc3cncn3[C@@H](COCc3ccncc3)C2)cn1 306133551 MPHFAOGDVGPTTM-QGZVFWFLSA-N 352.398 1.426 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccccn1 96232705 NOZRNTHZHRWPNB-INIZCTEOSA-N 352.394 1.251 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccc1F 72314007 INKFVQNESYWGJI-INIZCTEOSA-N 369.418 1.133 0 40 FDAB O=C(c1ccncc1)N1CCCN(C[C@@H](O)COc2ccccc2)CC1 76199045 HYNRTPCFRQDENW-GOSISDBHSA-N 355.438 1.669 0 40 FDAB Cc1nc(CN2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)no1 95959673 FKITUASTIGHEID-UHFFFAOYSA-N 374.832 1.357 0 40 FDAB CCN1CCN(Cc2nc(N)nc(Nc3cc(OC)cc(OC)c3)n2)CC1 20414454 ORXPQGIUDNYRFW-UHFFFAOYSA-N 373.461 1.352 0 40 FDAB CCC(=O)N1CCCN(CC[C@@H](C)N2CCCN(C(=O)CC)CC2)CC1 78971066 DIOITQDSKGIMQA-GOSISDBHSA-N 366.550 1.654 0 40 FDAB COC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc1C 79492952 WYROSIXFUBRKHC-SNVBAGLBSA-N 363.395 1.818 0 40 FDAB COc1cc2nc(C)n(CCn3c(C)cc(=O)cc3O)c(=O)c2cc1OC 1547212378 AZUSULKZWOHSHO-UHFFFAOYSA-N 371.393 1.598 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccn(C)n3)cc(C(C)C)nc21 32455417 BSLMBYOPHLUKJZ-UHFFFAOYSA-N 370.413 1.604 0 40 FDAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccco4)[C@H]3C2)ncn1 306131414 KDWFDTXACDDPBS-UMVBOHGHSA-N 357.414 1.017 0 40 FDAB CN1CCO[C@@H](C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)C1 548024662 JOLOHAKHRISFJZ-CABCVRRESA-N 364.515 1.287 0 40 FDAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(Cc2cccs2)C1 306134317 NIVLVTSUDHXCKK-SFHVURJKSA-N 368.466 1.648 0 40 FDAB CC(=O)NCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 72384148 YCOCGMKXFTVEFV-UHFFFAOYSA-N 355.398 1.506 0 40 FDAB CC(=O)Nc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)cs1 39583972 UOLMETNMVFJEPQ-UHFFFAOYSA-N 373.390 1.831 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1 74054112 GQLPMAGNUSWYEZ-LBPRGKRZSA-N 366.468 1.815 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1 36182921 ANQPCLDIOZSYLL-UHFFFAOYSA-N 356.385 1.069 0 40 FDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217502491 VPYIJJLIHINXOC-YPMHNXCESA-N 372.443 1.289 0 40 FDAB O=C(O)c1coc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 566295068 NBSDXBWYNRZTSJ-HNNXBMFYSA-N 371.441 1.806 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(F)cc1 46087027 BKLJGPLPKNUPOF-MRXNPFEDSA-N 358.369 1.456 0 40 FDAB CN(c1cccc(NC(=S)NCc2cccnc2)c1)S(C)(=O)=O 225331459 AFQRQTKBVKVFQK-UHFFFAOYSA-N 350.469 1.964 0 40 FDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccnnc3)C2)s1 96215031 WCBUBOWWDSNLJZ-QAPCUYQASA-N 358.467 1.725 0 40 FDAB O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H](Cc1ccccc1)n1cnnn1 96231346 MTXBBUMTROUCOO-QWHCGFSZSA-N 371.426 1.799 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(COCc4c(C)nc(N(C)C)nc43)C2)no1 96244419 PDBDIHFDUHPMPC-SFHVURJKSA-N 357.414 1.462 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(C(=O)O)cc2)o1 96114302 KDOHTLYDSPSPLO-CYBMUJFWSA-N 362.334 1.885 0 40 FDAB biogenic CC(=O)Nc1cccc(NC(=O)CCc2nnc3ccccn3c2=O)c1 95477268 OKMXOYQKQQFOEU-UHFFFAOYSA-N 351.366 1.619 0 40 FDAB COc1ccc(C(=O)CNC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 95476043 FFJLNTFGDPNHQB-QGZVFWFLSA-N 351.366 1.270 0 40 FDAB CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)NCc1ccccc1)CCC2 96197547 LPMLBMJZJUGIGV-UHFFFAOYSA-N 355.442 1.420 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239750 ADLSKCBHTXLJEG-CZUORRHYSA-N 352.385 1.720 0 40 FDAB O=C(c1cnccn1)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040397 KBGMGVZJWXGBRJ-QFBILLFUSA-N 354.410 1.962 0 40 FDAB CN1C(=O)c2ccc(C(=O)N[C@@]3(CO)COc4ccccc4C3)cc2C1=O 529819237 IHHSVZDDSSJCBH-FQEVSTJZSA-N 366.373 1.008 0 40 FDAB Cc1csc(CN2CCn3cc(C(=O)N4CCOCC4)nc3[C@H]2C)n1 247941935 GRPAMTDIYRBWNB-CYBMUJFWSA-N 361.471 1.697 0 40 FDAB CC(C)Oc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]32)cc1 245238208 GHCMMBAHVMTGNP-MDMSPXHWSA-N 368.426 1.589 0 40 FDAB biogenic O=C(CCn1cnnn1)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 257289643 PZOPMGHCIQQGRJ-KRWDZBQOSA-N 355.446 1.418 0 40 FDAB O=C(c1noc2c1CCCC2)N1CCO[C@H](CCc2cc(O)ncn2)C1 257289474 PYTSRYMXTNLKTH-CYBMUJFWSA-N 358.398 1.523 0 40 FDAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCOC3)CC2)n1 257206836 BFBVABPERGWJFG-JYJNAYRXSA-N 374.485 1.913 0 40 FDAB CN(Cc1cnccn1)C(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630673595 PKYICLBBMMEGKO-IAGOWNOFSA-N 354.410 1.553 0 40 FDAB COc1nc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc2ccccc12 640871676 FABQBFPCVYOBPE-KYJSFNMBSA-N 355.438 1.961 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1 644000041 ZKDJAVNPFWZFTI-OAHLLOKOSA-N 355.232 1.221 0 40 FDAB CC(C)(C)n1nnc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)n1 659124540 QVDLNZMAWXSVSM-UHFFFAOYSA-N 351.794 1.809 0 40 FDAB CCSCCC(=O)N(C)[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1614701822 OCNARBHELUDOLK-KGLIPLIRSA-N 355.504 1.105 0 40 FDAB Cn1nccc1[C@@H]1CN(C(=O)CCCn2cnc3ccccc32)C[C@H]1N 1615592917 VZCFKSKRAJBKGO-HUUCEWRRSA-N 352.442 1.503 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390832073 XAYNEWSBIWBPDY-LLVKDONJSA-N 374.807 1.854 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1O 585286687 OIXNAEAGOJSQTR-IOASZLSFSA-N 352.818 1.976 0 40 FDAB COC[C@]1(CC(=O)NCCc2ccccc2F)CN(C(C)=O)CCO1 585280605 LKLAHHKHYBCUQP-SFHVURJKSA-N 352.406 1.138 0 40 FDAB COCCN(Cc1ccc(C)o1)C(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1 630665699 PVRWULMIHHZXGJ-HZPDHXFCSA-N 350.415 1.643 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)OCc3cc(-c4ccco4)on3)cnc21 12057630 VIXDVMAMQJDJAH-UHFFFAOYSA-N 355.310 1.121 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12087267 SHEDVXCOPDOLID-LDBRAYGESA-N 368.433 1.737 0 40 FDAB COCC(=O)NCCn1ncc(-c2cc(C)no2)c1-c1ccc(C)nc1 12223171 VYVYIDQKNAQCJM-UHFFFAOYSA-N 355.398 1.980 0 40 FDAB Cc1nnc(SCC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CC=CCC2)o1 19288327 CGJCRXOBOCGKAZ-JMSVASOKSA-N 350.444 1.590 0 40 FDAB Cc1n[nH]cc1NC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O 19582454 ZYAHIXCXPSPMND-UHFFFAOYSA-N 370.409 1.741 0 40 FDAB Cn1cnc2cc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)ccc21 19718428 CSYDOPBHFWAONE-UHFFFAOYSA-N 361.398 1.916 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(F)cc1 207515540 FDYXMZDLPHICEW-NXKWAJLKSA-N 374.368 1.339 0 40 FDAB CO[C@H]1[C@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)COC[C@H]1OC 643585419 IVILLCQYFXHYQH-POAQFYNOSA-N 358.438 1.812 0 40 FDAB COc1ccnc(N2C[C@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)n1 1888850111 PWSKDRFZHHHKCP-OKILXGFUSA-N 357.414 1.227 0 40 FDAB Cn1c(O)nc(N2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]3C2)cc1=O 1888865724 PESCYKBPXFDGKZ-CHWSQXEVSA-N 355.398 1.086 0 40 FDAB CN(C)c1ncccc1CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 32688684 JCBJNUKDBFFALZ-UHFFFAOYSA-N 373.457 1.409 0 40 FDAB Cc1c(CN2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cnn1C 2037978104 BAVRFWTYTSQHDX-HXUWFJFHSA-N 370.453 1.363 0 40 FDAB COc1c(C)cccc1CN1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037983652 BHPJSUNCUSRZBW-HXUWFJFHSA-N 362.470 1.842 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4nccc(-c5ccccn5)n4)CC3)c21 2087045374 SMNTVEPNXWCIEY-UHFFFAOYSA-N 373.424 1.542 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)N1S(C)(=O)=O 1565548241 VVCQSKJLFZNAJB-CQSZACIVSA-N 355.460 1.060 0 40 FDAB O=C(c1csnn1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565544475 LQKXRBJVGRZHFO-UHFFFAOYSA-N 359.455 1.440 0 40 FDAB CCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)C1=O 4326348 RWRULUDCXMAPFR-UHFFFAOYSA-N 359.304 1.214 0 40 FDAB Cc1noc(C)c1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134284 FCSOAVITRHRRAY-UHFFFAOYSA-N 367.413 1.225 0 40 FDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)c1ccccc1 23115256 PJFBPDCBGRUABD-CQSZACIVSA-N 371.441 1.014 0 40 FDAB CCOC(=O)CNC(=O)CSc1nc(-c2ccc(OC)cc2)ns1 4167543 VIYQVWHSEUHENM-UHFFFAOYSA-N 367.452 1.985 0 40 FDAB COc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1O 12222627 SSUSCPVQPOUDSR-UHFFFAOYSA-N 355.442 1.932 0 40 FDAB O=C1CN(c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cn2)CCN1 40089076 PLKQDZLVFHZJKM-CQSZACIVSA-N 352.394 1.208 0 40 FDAB CCc1nc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)sc1C 40119019 ACVWCHAQLZCCIS-UHFFFAOYSA-N 359.411 1.212 0 40 FDAB CCn1nnnc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 11479004 DEXZLMHXQYQQFI-UHFFFAOYSA-N 374.470 1.662 0 40 FDAB CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 4723852 SVRDATZAQKIVCK-UHFFFAOYSA-N 352.387 1.776 0 40 FDAB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)c(C(=O)O)c1OC 32123853 PUYLVNOVKWLKTA-UHFFFAOYSA-N 362.426 1.419 0 40 FDAB biogenic CCC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 7901386 FOQKYDGFZYHRCK-CQSZACIVSA-N 369.425 1.091 0 40 FDAB CCOCCSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 11620702 CYPVAHDDSHYWEW-UHFFFAOYSA-N 360.443 1.589 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 20902635 WPGKJMIGAOMTPF-HNNXBMFYSA-N 353.440 1.647 0 40 FDAB COc1cccc(OCCNC(=O)c2ccc(N3CCOCC3)nc2)c1 32404003 BLSTUNQRVQRCNH-UHFFFAOYSA-N 357.410 1.736 0 40 FDAB C[C@H]1CCCN(CCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 46380078 HQQSNVFFXFKGTQ-INIZCTEOSA-N 374.485 1.592 0 40 FDAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 9064291 USQQJSDKDVOUGY-UHFFFAOYSA-N 357.391 1.684 0 40 FDAB O=c1ccccn1CCCNS(=O)(=O)c1ccccc1Br 32934609 FZRFDLCNZWUREL-UHFFFAOYSA-N 371.256 1.979 0 40 FDAB O=C(OCc1ccc(Cl)nc1)C1=CN2CCS(=O)(=O)N=C2C=C1 22745862 IWWQDGKLRPNPDO-UHFFFAOYSA-N 353.787 1.276 0 40 FDAB COCCN1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 58344084 JUTSPSKWNJHQHI-CQSZACIVSA-N 357.462 1.522 0 40 FDAB Cn1c(=O)c2c(nc(NC[C@H]3CCCO3)n2Cc2ccccc2)n(C)c1=O 838124 CVPIGXZTEWOBSI-CQSZACIVSA-N 369.425 1.073 0 40 FDAB CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCOCC1 906558 MBTHSQFYBCUFTO-UHFFFAOYSA-N 362.455 1.828 0 40 FDAB O=S1(=O)CC[C@H](N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 23253206 ZCPXIPBNYREKGC-HNNXBMFYSA-N 368.890 1.292 0 40 FDAB CN(CC(=O)NC(C)(C)C)c1nc(N2CCCC2)nc(N2CCCC2)n1 24054669 QYEZYMXMXZKDGQ-UHFFFAOYSA-N 361.494 1.423 0 40 FDAB COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1c(C)nn(C)c1C)C2 107711235 OLVZAKFFRMFVOL-HOCLYGCPSA-N 357.476 1.243 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F 1317692 RMBQHRPHRFGDRH-LAEOZQHASA-N 354.375 1.697 0 40 FDAB COCCN(Cc1ccco1)C(=O)Cn1c(C)nc2ccccc2c1=O 25097519 XEQUWJZPZPYVEF-UHFFFAOYSA-N 355.394 1.973 0 40 FDAB Cn1cnc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1Cl 26535775 YPKXQMWLWQOLSG-UHFFFAOYSA-N 354.819 1.767 0 40 FDAB CCCCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3OC)no2)C1=O 57675013 QUYPJXGEQQFMQN-UHFFFAOYSA-N 358.354 1.836 0 40 FDAB O=c1/c(=C\c2ccco2)sc2nc([C@@H]3COc4ccccc4O3)nn12 27061435 UPOGAPKVAMBFMP-JGWKKKPCSA-N 353.359 1.804 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)O)c1 10021474 ASMFMRAEAXLFDT-CYBMUJFWSA-N 372.468 1.317 0 40 FDAB COc1ccc([C@@H]2[C@@H](n3cnnn3)C(=O)N2CCCOCC2CC2)cc1 58154841 MQIRDAARIXYYBZ-IAGOWNOFSA-N 357.414 1.623 0 40 FDAB C[C@H](OC(=O)c1cc(Br)cc(Br)c1N)C(N)=O 12536733 CEKSYOHEECORDS-BYPYZUCNSA-N 366.009 1.824 0 40 FDAB CN(CC(=O)NCCN1CCCc2ccccc21)c1ncnc2[nH]cnc12 58225001 ORRSIIXQKZDOTL-UHFFFAOYSA-N 365.441 1.358 0 40 FDAB CN1CCN(C(=O)C2CCN(C(=O)c3ccnc(NC4CC4)c3)CC2)CC1 58265916 CFXCSCUXIKOQHM-UHFFFAOYSA-N 371.485 1.282 0 40 FDAB Cc1nn(CC(=O)N2CC(Oc3ccncc3)C2)c(=O)c2ccccc12 58314159 UOKMIMYVGBZOLM-UHFFFAOYSA-N 350.378 1.390 0 40 FDAB CCc1noc(CN(C)S(=O)(=O)c2ccc(OCCOC)cc2)n1 58328690 OEPDUGHWGLGKCR-UHFFFAOYSA-N 355.416 1.478 0 40 FDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21 2230297 JVGLGVWYHYLPKB-OAHLLOKOSA-N 370.409 1.207 0 40 FDAB CNC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 58431412 XGVPGDJGGYRTKB-MRXNPFEDSA-N 367.449 1.944 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1 36390077 JIPJMFUFUJZVNS-UHFFFAOYSA-N 355.438 1.451 0 40 FDAB COc1ccccc1-c1nnc(SCC(=O)NCc2ccco2)n1N 3320485 AYWZOAJIUCXLBY-UHFFFAOYSA-N 359.411 1.669 0 40 FDAB CCC(=O)Nc1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 12779033 VHOGDUOFUNCIOP-UHFFFAOYSA-N 358.398 1.838 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCCO1 12779873 AOINJWKHVJLJMM-OAHLLOKOSA-N 352.456 1.656 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)NC1CCN(C(=O)C2CC2)CC1 48265294 CWRZYPBBSSNYMT-HNNXBMFYSA-N 359.426 1.527 0 40 FDAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCO 12896283 PDFILCWFUPIVAD-UHFFFAOYSA-N 355.346 1.653 0 40 FDAB biogenic CCc1cc2c(=O)n(Cc3nn4c(=O)cc(C)nc4s3)cnc2s1 12982839 YGQYMLQUNYYDOK-UHFFFAOYSA-N 359.436 1.842 0 40 FDAB CN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1 3586329 TXAFBYQXICBPJX-UHFFFAOYSA-N 354.838 1.835 0 40 FDAB CNc1snc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 16970035 WVVYFTUEZUDSPT-UHFFFAOYSA-N 354.457 1.113 0 40 FDAB CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OCC)cc1 13371990 LXOUBLQUHHJLGY-GJZGRUSLSA-N 361.485 1.024 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1 13331351 WZJXYWOAYFWLTA-UHFFFAOYSA-N 363.439 1.692 0 40 FDAB COc1ccc([C@H](CC(=O)O)NC(=O)Cn2nnc3ccccc32)cc1 13427218 HHAXXHVRODMMOU-HNNXBMFYSA-N 354.366 1.772 0 40 FDAB CN1C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)C12CCCCC2 6006389 JXAYWTQIUQCEQA-UHFFFAOYSA-N 373.409 1.628 0 40 FDAB O=C(NCc1nnc2n1CCCCC2)NC1CCN(CC(F)(F)F)CC1 65509479 BTFFOHHYEHVMOA-UHFFFAOYSA-N 374.411 1.830 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)cc1 24992866 ATIVPBYTTJOPJP-ACJLOTCBSA-N 364.398 1.324 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287252 HZENYUHOKSDWPG-MRXNPFEDSA-N 363.389 1.329 0 40 FDAB CCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=O 7529616 MNBZQLOKOPARKJ-SNVBAGLBSA-N 364.427 1.872 0 40 FDAB Nc1nc(COC(=O)CNC(=O)C2CC2)nc2sc3c(c12)CCCC3 84544105 LIAYMNZVLCTPNL-UHFFFAOYSA-N 360.439 1.722 0 40 FDAB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 78560144 AWNNOAOXBGPQSR-OAHLLOKOSA-N 355.479 1.616 0 40 FDAB Cc1nc2ncnn2c(N2CCC(N(C)CC(=O)NC(C)C)CC2)c1C 95450200 UWSOOKKHTOAMTR-UHFFFAOYSA-N 359.478 1.166 0 40 FDAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2)ccc1Cl 176960945 NOQPAHGZLYIMRC-UHFFFAOYSA-N 360.863 1.891 0 40 FDAB CCOC(=O)c1c[nH]c(N2CCN(c3ccccc3OC)CC2)nc1=O 20636448 UHXSZFQNAXWLFU-UHFFFAOYSA-N 358.398 1.282 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)C2(n3cnnn3)CCCCC2)n1 36359391 IBYAMKOHPMYACK-UHFFFAOYSA-N 364.431 1.533 0 40 FDAB COc1cc(C[C@]2(c3ccc(C)cc3)NC(N)=NC2=O)cc(OC)c1OC 71975262 VWRZETWQASXKDM-HXUWFJFHSA-N 369.421 1.903 0 40 FDAB CNC(=O)NC[C@H]1CN(C(=O)NCCc2cccc(Cl)c2)CCO1 527638342 IWTYTNWHVMWORD-AWEZNQCLSA-N 354.838 1.222 0 40 FDAB NC(=O)Nc1ccc(C(=O)CN2C=Nc3ccccc3S2(=O)=O)cc1 517640606 LQCYSXUYBOWJQO-UHFFFAOYSA-N 358.379 1.724 0 40 FDAB O=C(NCc1nc2ccccc2[nH]1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641295 RHWSEJVICSNOAG-KRWDZBQOSA-N 364.405 1.607 0 40 FDAB Cc1cc(-c2ccc(=O)n(C3CCN(S(C)(=O)=O)CC3)n2)c(C)o1 72342429 UWIYSTVYFXWAAK-UHFFFAOYSA-N 351.428 1.717 0 40 FDAB COCC(=O)N(C)CC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 566099698 QDWCKGIJKKJWAI-HNNXBMFYSA-N 365.499 1.324 0 40 FDAB Cc1ccc(C(=O)NCCCN(C)C)cc1N1CCCCS1(=O)=O 224397012 HNVRSPSSXFCKST-UHFFFAOYSA-N 353.488 1.607 0 40 FDAB Cc1cccc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1 223019312 LKCGJWTZGDOWGO-UHFFFAOYSA-N 354.453 1.845 0 40 FDAB O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](Oc2cnccn2)C1 225797082 BBVJIQTYAYXTHJ-CQSZACIVSA-N 356.407 1.867 0 40 FDAB COc1ccc(OCc2noc(CNC(=O)c3ccc(O)nn3)n2)cc1 44227384 ZPKYDKMPXKGKFE-UHFFFAOYSA-N 357.326 1.083 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(CCN(C)C)C2 96055932 CQJAMEMENPYHAS-PXNSSMCTSA-N 363.502 1.918 0 40 FDAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(S(=O)(=O)C2CC2)CC3)c1 96051736 CDNGOIVOOXPPSS-OAHLLOKOSA-N 351.472 1.492 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)NCC[S@@](C)=O)[C@H]31)O2 248335471 MYCFJOVNBCZKKW-OWMVUMKHSA-N 361.463 1.850 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1ccco1)CN(CC1CCOCC1)C2 248023772 ITOZNFMLXQVMLQ-INIZCTEOSA-N 358.442 1.655 0 40 FDAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)CCN)[C@@H]1O)O2 257234407 GTJSBEWDQKRPTG-CJGGRQNCSA-N 362.470 1.059 0 40 FDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccnc(C)n2)CC1 257225730 FHMZYCHKYIDLEO-UHFFFAOYSA-N 354.414 1.231 0 40 FDAB NC[C@]1(CO)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252517048 ZDHSECTWLXIEPS-KSZLIROESA-N 361.419 1.292 0 40 FDAB Cc1cc(N2CC[C@@](O)(CNC(=O)CCOc3ccccc3)C2)ncn1 257209114 BPBDRFJGRZKFFC-LJQANCHMSA-N 356.426 1.312 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C2CCNCC2)CC1 257231945 GIUPTAVVBZZZGL-OAQYLSRUSA-N 374.529 1.647 0 40 FDAB CNC(=O)c1ccc(=NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)[nH]n1 640338839 RVKRSDASEDNEPZ-IBGZPJMESA-N 353.426 1.887 0 40 FDAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1cc(O)nc2ccc(F)cc12 644071091 VFLZBDIWLXKTEW-VUCTXSBTSA-N 359.401 1.797 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H]3C[C@H](C(=O)O)C3)ccc21 644572450 MVEKWFRQTSQYRP-JOCQHMNTSA-N 352.412 1.127 0 40 FDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@@H](OC2CCC2)C1 654513403 AAMJRUMHIZCRSF-MRXNPFEDSA-N 358.504 1.944 0 40 FDAB CON1CCC(CC(=O)NCc2cc(F)ccc2CS(C)(=O)=O)CC1 1148852620 WMPVORZISITLBO-UHFFFAOYSA-N 372.462 1.650 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2 575402879 DDSONRMDFGUYIX-OAHLLOKOSA-N 371.437 1.646 0 40 FDAB O=C(NCc1cscn1)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101269 TVIDODFIDODEME-GOSISDBHSA-N 371.466 1.965 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@@H](C)C2 585098285 SZRMCJHKRVNBTB-LBPRGKRZSA-N 358.398 1.283 0 40 FDAB OCc1ccc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cc1 585097324 KBJVDZWWQMGLIJ-LJQANCHMSA-N 356.470 1.482 0 40 FDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c1 54779367 VDLFVZSRSJZKAB-HNNXBMFYSA-N 367.453 1.689 0 40 FDAB NS(=O)(=O)[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 676076676 BNVDWCJCSKXVQT-ZDUSSCGKSA-N 359.455 1.285 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccn(C)n3)CC2)Nc2ccccc21 12086163 BQZJRYCBKNAKTE-UHFFFAOYSA-N 353.426 1.874 0 40 FDAB CC(=O)O[C@@H]1[C@H](Oc2ccc(C)cc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 12659772 WTYBDFZBSGLOIG-BDXSIMOUSA-N 366.366 1.525 0 40 FDAB biogenic CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13575342 XWLQFAKSDIEBEW-KXBZBNQCSA-N 371.412 1.851 0 40 FDAB CNc1cc([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nc(-c2cccnc2)n1 19021305 JXMBCNOYKUDLQF-OAHLLOKOSA-N 368.441 1.422 0 40 FDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NCCCN2CCOCC2)nn1 19459514 HWWZLLQPTWYQEO-AWEZNQCLSA-N 361.421 1.479 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1 19557044 SHKBBAVWIJCFML-CQSZACIVSA-N 359.411 1.659 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCC3)C1)C2=O 19699801 BJVGBWQJIZHRIB-HNNXBMFYSA-N 362.474 1.184 0 40 FDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@@H](C(=O)Nc2ccccn2)C1 19747808 OXNPSNPNGNGUAD-CQSZACIVSA-N 354.410 1.498 0 40 FDAB O=P(O)(O)OCC(Br)(Br)Br 4705571 NIHRETFAEJQJKQ-UHFFFAOYSA-N 362.736 1.934 0 40 FDAB CC(=O)NC[C@@H]1CN(C(=O)c2csc(N(C)c3ccccc3)n2)CCO1 625708564 VNSSONGLLZSGEQ-OAHLLOKOSA-N 374.466 1.888 0 40 FDAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)O 16899651 NCOUAWQFEJLBPV-OCCSQVGLSA-N 364.423 1.258 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 30351531 ACWNBXGNNKNESA-UHFFFAOYSA-N 353.419 1.937 0 40 FDAB O=C(N1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2)C1(F)CC1 1614946884 GZXKOZHILFCHLZ-GFCCVEGCSA-N 360.451 1.111 0 40 FDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)c3cc(C4CC4)on3)C2)C1=O 1614946388 FFGVNCZJHXKDQR-IBGZPJMESA-N 360.458 1.568 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544497 MEQACWMOLFVVJP-SFHVURJKSA-N 374.416 1.140 0 40 FDAB CCOC(=O)c1c(-c2cncnc2)ncc2c1CCN(C(=O)[C@@H]1C[C@H]1F)C2 1565552968 FHSNJXGOMBJCKD-HUUCEWRRSA-N 370.384 1.958 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)Cn4ccccc4=O)C[C@@H]3C2)cs1 1565542900 BSTYIELKKFFMSE-GJZGRUSLSA-N 358.467 1.204 0 40 FDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1csnn1)CC2 1565550789 FTNJYSBYKJVEQI-MRXNPFEDSA-N 351.476 1.087 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCc1ccco1 4329595 UZSVXSITJJDCQW-UHFFFAOYSA-N 351.409 1.799 0 40 FDAB COCc1cc(C)nc2sc(C(=O)N3CCC(C(N)=O)CC3)c(N)c12 15084520 KCHNTXFUZBRAAL-UHFFFAOYSA-N 362.455 1.671 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)CC2=CCCCC2)CC1 2055746036 CQTIBGWNWJKPDC-UHFFFAOYSA-N 359.474 1.252 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 2055812391 FDBVUCLMPBOJHG-FTRWYGJKSA-N 373.501 1.496 0 40 FDAB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22795955 UCSCPQWEJSDBPV-QGZVFWFLSA-N 364.465 1.003 0 40 FDAB O=C1OCCN1[C@H]1CCN(c2ncnc3c2nnn3-c2ccccc2)C1 1775975532 JLBGNALULCZOCL-ZDUSSCGKSA-N 351.370 1.241 0 40 FDAB Cc1cccc(NC(=O)CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c1 2086875480 KBXRYPSOOQEBGO-MRXNPFEDSA-N 365.499 1.822 0 40 FDAB Cc1cc(C)n([C@@H](CNC(=O)CN2C(=O)CCC2=O)c2cccs2)n1 575610027 IVXKKVIYIQRMNQ-ZDUSSCGKSA-N 360.439 1.416 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830576 LYAUNEXXMCDBPE-IHRRRGAJSA-N 365.455 1.353 0 40 FDAB O=C(COc1ccccc1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19373479 YEWGLDFLEPBRDH-OAHLLOKOSA-N 352.438 1.907 0 40 FDAB COc1ccc(C(=O)OCC(=O)NCC(F)(F)F)c(OC)c1OC 7512146 KIEINJMOFYLIQG-UHFFFAOYSA-N 351.277 1.548 0 40 FDAB Nc1nncn1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669659 KJQJIUDHHXHXRM-OAHLLOKOSA-N 371.422 1.507 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)s1 4393266 WUAXYCQUAVWMLP-KNDBQHFLSA-N 371.415 1.182 0 40 FDAB CCN(CC)C(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678693 HOGVLABIPKPTQW-UHFFFAOYSA-N 361.423 1.734 0 40 FDAB COCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766643 AUARSXIGWWGDMA-UHFFFAOYSA-N 360.435 1.814 0 40 FDAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@@H](CO)C(=O)O)C1=O 6856097 RSGQXMJBEMTGSU-ZWSXMNCCSA-N 365.432 1.898 0 40 FDAB CCOC(=O)c1nc2[nH]c(CSc3nnc(C)s3)cc(=O)n2n1 10157034 LYYZUOBCWXICPB-UHFFFAOYSA-N 352.401 1.047 0 40 FDAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NCc2ccco2)s1 8474536 ILUSNJZNSUPKPF-UHFFFAOYSA-N 366.399 1.408 0 40 FDAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 46397642 WMCUBUDPDLTTBX-DOTOQJQBSA-N 373.478 1.860 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2657728 FGNSAJRDJUZKED-OAHLLOKOSA-N 367.423 1.724 0 40 FDAB CN(C)C(=O)/N=c1\ss/c(=N/C(=S)N(C)C)n1-c1ccccc1 104276889 ICECZHHAXIVRJW-VCFJNTAESA-N 367.525 1.930 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1 32933533 BQEAOQWIDSCYEK-UHFFFAOYSA-N 358.383 1.422 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)C1 33005327 MKLJYKIOGLTMOH-ZFWWWQNUSA-N 350.415 1.836 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 9613779 BURFQRBRQIPTIO-UHFFFAOYSA-N 354.428 1.441 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103141610 FAAIYLMBVJAWFA-ZDUSSCGKSA-N 369.450 1.763 0 40 FDAB CCOC(=O)CN(C(=O)COC(=O)c1ccc(CO)cc1)c1ccccc1 22127315 BOFROIUTJGGZJS-UHFFFAOYSA-N 371.389 1.932 0 40 FDAB CN(CC(=O)N1CCN(C2CCOCC2)CC1)C(=O)c1cccs1 81033515 SFTCUHUYBHNBGH-UHFFFAOYSA-N 351.472 1.143 0 40 FDAB Cn1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 23931866 QOSYKJCAXNPPLP-UHFFFAOYSA-N 354.454 1.559 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O 24043090 GUDDWDSHDUWACK-HXUWFJFHSA-N 366.421 1.598 0 40 FDAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN1C(=O)Cc1cccs1 55111322 FEFXPFPNQMHNMQ-INIZCTEOSA-N 365.499 1.120 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1csc(-c2ccsc2)n1 24807248 KTCJPVSNWQFODC-GFCCVEGCSA-N 351.453 1.735 0 40 FDAB O=c1c(CN2CCc3ccccc3C2)coc(O)c1CN1CCOCC1 100797127 KMBMOQWCTXCYID-UHFFFAOYSA-N 356.422 1.736 0 40 FDAB biogenic Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 57801450 XYLZHHNHHIZDEB-AWEZNQCLSA-N 352.394 1.829 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NCCNC(=O)Cc2cccc(F)c2)C1 58180093 WJIORENGQMERBE-CYBMUJFWSA-N 357.451 1.051 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 48275468 AUBYFHLJNQQBRI-CZUORRHYSA-N 374.441 1.937 0 40 FDAB CC(=O)Nc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1 3428467 VQADUDHGIJOKEJ-UHFFFAOYSA-N 353.338 1.431 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1C 12924096 NVPMARBIHIEXAI-UHFFFAOYSA-N 366.421 1.712 0 40 FDAB O=C(O)c1cccnc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 13090635 UBSQZLFSPKTDMR-UHFFFAOYSA-N 364.379 1.593 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)[C@@H](C)Oc2ccccc2)c(=O)[nH]c1=O 8393022 WHEOQDIJOBPTAW-CYBMUJFWSA-N 374.441 1.739 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccs2)cc1 8313135 QYRXKXWXFJUXQJ-UHFFFAOYSA-N 361.423 1.584 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(S(C)(=O)=O)c1 14023594 YWEWYQWKGVWKEE-KRWDZBQOSA-N 373.430 1.830 0 40 FDAB COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccccc3)C2=O)c1 24086890 WYXIESVUCHIOFA-MGPUTAFESA-N 370.405 1.902 0 40 FDAB C[C@H]1c2cc3c(cc2CCN1C(=O)C1=NN(C)C(=O)CC1)OCCCO3 5489424 OYTVNZBSGNDONS-LBPRGKRZSA-N 357.410 1.902 0 40 FDAB Cc1cnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)s1 22356794 XXCQXBZQOAAXNZ-MRXNPFEDSA-N 362.386 1.996 0 40 FDAB CN(C)C(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 17726486 REMTZSSCECOTAA-INIZCTEOSA-N 366.373 1.899 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(Br)cc3)CC2)N1 8768121 RUFGWOFIQMNUHO-UHFFFAOYSA-N 352.188 1.263 0 40 FDAB CCC(C)(C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 6880045 KLHOJBGIFFERIA-UHFFFAOYSA-N 368.499 1.945 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC[C@H]1COc2ccccc2O1 6879123 IEIMOTCAMHQYAX-LBPRGKRZSA-N 368.311 1.823 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 18142326 AQGJMCAKNKITQR-HUUCEWRRSA-N 373.428 1.650 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 80336663 ZHMRBBKJJFWTAU-UZLBHIALSA-N 359.470 1.666 0 40 FDAB COc1ccc(-c2nc([C@H]3CN(S(=O)(=O)C4CC4)CCO3)no2)cc1 96000547 LRHBTRDGCIMXLK-CQSZACIVSA-N 365.411 1.611 0 40 FDAB CC[C@H](NC(=O)CCOC[C@H]1CCCO1)c1cccc(S(N)(=O)=O)c1 97001469 KCTJOWIJOGJABI-ZBFHGGJFSA-N 370.471 1.487 0 40 FDAB COc1cn(C)c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1=O 72404852 SKMDFUMAZPXWMO-UHFFFAOYSA-N 355.438 1.973 0 40 FDAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(=O)N2CCOCC2)c1 95463794 SAOONMOEOZIFPW-UHFFFAOYSA-N 367.833 1.523 0 40 FDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N[C@H](C)c2cccnc2)nn1 75164063 SMLQJMYJZCJXIU-DYVFJYSZSA-N 367.409 1.906 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)NCCc4ccccc4)ccc3n2n1 79475938 DALBLMXWUVHCNJ-UHFFFAOYSA-N 362.393 1.107 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccnc2)Oc2ccc(Cl)cc21 20108362 LSFQOQKCWXJLTN-AWEZNQCLSA-N 367.814 1.901 0 40 FDAB O=C(CC1CC1)NCC[C@@H]1CCOC12CN(C(=O)c1cccc(O)c1)C2 306140242 UNTQSOOMGWXBFC-MRXNPFEDSA-N 358.438 1.930 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)C1=CCCCC1)CC2 306127007 FLJBLYDDPZMHGJ-MRXNPFEDSA-N 370.515 1.633 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(C(=O)N2CCOCC2)CC1 37477445 RVLHCDVGSMAOEH-MRXNPFEDSA-N 372.469 1.034 0 40 FDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980328 KIWLVTZVVLKSFT-OAHLLOKOSA-N 350.390 1.953 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 79193391 GVCWGQAJUHPWFV-DZGCQCFKSA-N 360.483 1.839 0 40 FDAB biogenic COC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1F 226687345 YEKWVBAFHNHHSW-UHFFFAOYSA-N 374.415 1.621 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(Cn3cnnn3)cc2)cc1OC 40287468 NEHFSVZHPXJQKZ-UHFFFAOYSA-N 367.409 1.711 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(SC)cc1 45896131 QHSKHWLYEJNVBU-CQSZACIVSA-N 361.427 1.874 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 328919997 AVTMZLLEDZXIKZ-ARFHVFGLSA-N 358.446 1.511 0 40 FDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1nccs1)C2 96060860 KUXFAEWNJCGMEF-CYBMUJFWSA-N 350.492 1.432 0 40 FDAB COc1cc2ncn(CC(=O)Nc3ncccc3C)c(=O)c2cc1OC 95477064 RGFLMZMBYFBNDF-UHFFFAOYSA-N 354.366 1.756 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1 95476806 JUYNPYOGIFJMHE-UHFFFAOYSA-N 353.488 1.641 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 95476375 SQCZSJRHVHZMDK-FOIQADDNSA-N 370.453 1.725 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1S(C)(=O)=O 96208257 LYGZCUPVAWODOM-CYBMUJFWSA-N 356.444 1.182 0 40 FDAB 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FDAB O=C(c1ncccn1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093269 MXKBKPKQUYDYGJ-INIZCTEOSA-N 350.369 1.587 0 40 FDAB COCCN1CC[C@]2(CN(Cc3c(C)noc3C)CC(F)(F)C2)C1=O 585093295 NZCLQEJDHOANIC-INIZCTEOSA-N 357.401 1.998 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)C2)cc1 826838203 ONKSRUYKGCRMJS-LBPRGKRZSA-N 366.464 1.790 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3nnsc3Cl)CC2)C1 52710241 OTFORYFMYKSKBJ-BETUJISGSA-N 371.938 1.814 0 40 FDAB CN1CCN(C(=O)c2c[nH]ccc2=NC(=O)C(C)(C)C)C[C@]12CCOC2 1615592438 UCLLCPATRPWHMC-IBGZPJMESA-N 360.458 1.035 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@@H]1CC(S(=O)(=O)c2ccccc2)=NO1 5518171 CKZRGSCIVPUYRY-LBPRGKRZSA-N 370.386 1.859 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691750 SHKYBLIFFGZZFI-NRUUGDAUSA-N 364.345 1.341 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](C)c1cn(C)nc1C)CC2 19583656 WYSPOIWZVJWVGY-ZDUSSCGKSA-N 372.469 1.981 0 40 FDAB C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCOCC)n(C)c1=O 10387133 ZYQCURXOYZBRJC-STMXVASLSA-N 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O=[N+]([O-])OC12C[C@H]3C[C@@H](C1)CC(c1no[n+]([O-])c1Br)(C3)C2 12436665 NRDWTHHQSWDPLI-FIESBSMHSA-N 360.164 1.869 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268067 ZVRATRIDWHGTSI-DOMZBBRYSA-N 355.398 1.524 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 15630302 IDKPIDTTZVIYFF-UHFFFAOYSA-N 352.456 1.263 0 40 FDAB O=C(CC1CCCCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404470 KTMORHFUZUTXJK-OAHLLOKOSA-N 356.474 1.990 0 40 FDAB CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC)CC3)C2=O)C1 19699900 NYFYMLSYMQFDIW-CQSZACIVSA-N 350.463 1.184 0 40 FDAB Cc1cccc(CNC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)n1 19746439 UYLAZRZTJPRDJX-UHFFFAOYSA-N 368.437 1.541 0 40 FDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)NC[C@H]3CCCO3)cc21 225549992 HDKQXLLJKVOAAS-CQSZACIVSA-N 353.444 1.699 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ccc4nncn4n3)CC2)c1C 1888875896 CXWMCLDNEDCVSW-UHFFFAOYSA-N 350.430 1.735 0 40 FDAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(S(=O)(=O)c2cnc[nH]2)C3)n1 1888888467 OANIYZHQIUJCIM-CJNGLKHVSA-N 363.443 1.378 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@H]4C3)ncnc21 1888909543 UOFGRWZCGJRJKP-OKILXGFUSA-N 366.400 1.711 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nc(C)ns3)CC2)n1 1889085068 GEMQYWCWKYCPRW-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4c3CCCC4)CC2)[nH]1 1889101387 NIXDAGSLMVHSOB-UHFFFAOYSA-N 353.474 1.634 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4cnccc34)CC2)n1 1889148974 HCCZMDHSKRLMRU-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB O=C(Oc1ccc(-n2cnnn2)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 23227796 YAVQJJYAVQHGNC-GFCCVEGCSA-N 367.340 1.760 0 40 FDAB C[C@]1(NS(=O)(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 23743377 JLYWZDOXMANYEZ-NSHDSACASA-N 368.274 1.305 0 40 FDAB C[C@H]1CCc2[nH]c3c(C(=O)NCCCNS(C)(=O)=O)cccc3c2C1 30898927 GBHSBLXZGUWVNB-LBPRGKRZSA-N 363.483 1.962 0 40 FDAB Cc1cnc(OC[C@@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1 1776000594 ZHANSYWJDJCXEW-MRXNPFEDSA-N 353.488 1.701 0 40 FDAB Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037984799 OFQNIDUYPMFRHD-SZVBFZGTSA-N 351.406 1.513 0 40 FDAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c1 5242148 IVKYHTIHBHAORH-UHFFFAOYSA-N 368.422 1.987 0 40 FDAB CCS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)c1 5241390 HDUJYEQDIHJHFS-UHFFFAOYSA-N 372.402 1.958 0 40 FDAB Cc1ccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)nn1 1849549275 VYXKQQMFPGCJML-UHFFFAOYSA-N 365.437 1.593 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2OC)CC1 2055713253 NNGJNHUTRAGQRY-UHFFFAOYSA-N 372.469 1.646 0 40 FDAB CCc1cnc2c(c1NCCc1cccc(OC)c1)c(=O)n(C)c(=O)n2C 22767736 AJECFMWKFYSTIE-UHFFFAOYSA-N 368.437 1.858 0 40 FDAB COCCCn1cc(C(=O)NCCc2ccc(F)cc2)c2n[nH]c(=O)c-2c1 42380772 CWQZVYNPWFAJSU-UHFFFAOYSA-N 372.400 1.824 0 40 FDAB COc1cc(OC)nc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298194488 SCRDLYOJBDEXAE-GFCCVEGCSA-N 370.400 1.968 0 40 FDAB Cc1nc(C)c(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 40089925 YTBKXEAKQVLXTE-CYBMUJFWSA-N 366.425 1.730 0 40 FDAB Cc1nc(CCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 40043077 KAMFQLCUFOTQQK-UHFFFAOYSA-N 365.480 1.746 0 40 FDAB COc1cccc(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 31095182 BAOXZVYFGXNRLX-SFHVURJKSA-N 365.499 1.702 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2cccc(S(C)(=O)=O)c2)n1 11168000 NESHRFIEPMHFPV-UHFFFAOYSA-N 368.436 1.905 0 40 FDAB O=C(NCc1ccnc(-n2cccn2)c1)NCc1ccnc(-n2cccn2)c1 31663504 ATJDTAKESQCUAC-UHFFFAOYSA-N 374.408 1.847 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CNCCc2ccc(F)cc2)cc1 3289397 WTMITHLCOZBEOW-UHFFFAOYSA-N 351.403 1.244 0 40 FDAB CCOC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CCN(C(C)=O)C2 101127785 CPKWAAIKDIUJHP-PLNGDYQASA-N 366.395 1.409 0 40 FDAB COc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C 4945157 UYQNCRYALCOTPN-UHFFFAOYSA-N 361.789 1.247 0 40 FDAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C 6566399 BRHINLCBBXVMGC-UHFFFAOYSA-N 362.407 1.746 0 40 FDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccccn1 7099909 FGBAGZUPVRFUPZ-UHFFFAOYSA-N 351.318 1.307 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 60064925 NFSLSQBZUTWAKR-OAHLLOKOSA-N 365.455 1.189 0 40 FDAB Cc1ccc([C@@](O)(CCNC(=O)[C@@H](C)S(C)(=O)=O)C(F)(F)F)o1 52469927 WIWJQKLAKRINEY-SKDRFNHKSA-N 357.350 1.277 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 32850791 WTUVVZWKIFFIDF-GFCCVEGCSA-N 374.466 1.203 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCN(C)C)ccc21 57280323 GZVJGVVNGGGIIS-UHFFFAOYSA-N 353.488 1.561 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 21894065 BCMAJPMSUNVDJV-ZDUSSCGKSA-N 364.427 1.726 0 40 FDAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 21816810 BMRTWQPYHFORNN-HNNXBMFYSA-N 359.426 1.709 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cn1 106906180 MABZQYQSYMJLMP-MRXNPFEDSA-N 350.422 1.921 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 21970699 YLTIZAVQVGUMIN-UHFFFAOYSA-N 359.426 1.946 0 40 FDAB CC(=O)c1ccc(NC(=O)C(=O)NC2CCN(c3ncccn3)CC2)cc1 41452772 KSZJAMBRNWIFAL-UHFFFAOYSA-N 367.409 1.403 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CN1C(=O)CSC1=O 100724610 REASGUQMFOIZHV-JQWIXIFHSA-N 371.422 1.321 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1C[C@H]2CC[C@H]1C2 104090026 PBAZQOAIYVZRJJ-MNXVOIDGSA-N 356.426 1.187 0 40 FDAB CCN(CC(=O)NCc1cccs1)C(=O)c1n[nH]c(=O)c2ccccc12 16684525 FCAXXUBDHMRPCM-UHFFFAOYSA-N 370.434 1.763 0 40 FDAB Cn1cc(CN2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cn1 107253243 MVOVTUJBVIZPGZ-UHFFFAOYSA-N 356.426 1.426 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490531 CFQCBBAJNDHLJH-UHFFFAOYSA-N 361.398 1.878 0 40 FDAB COc1ccc(CCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 3361548 MOVIQQDTDKTYTC-UHFFFAOYSA-N 353.378 1.057 0 40 FDAB CCCN(C(=O)[C@@H](NC(=O)c1ccco1)C(C)C)[C@@H]1CCS(=O)(=O)C1 10025105 VLGYSMXWVDRWKU-HIFRSBDPSA-N 370.471 1.460 0 40 FDAB NC(=O)Cn1ccc(NCC(=O)Nc2ccccc2Br)n1 58174663 JTQQTPXUOAUZMA-UHFFFAOYSA-N 352.192 1.182 0 40 FDAB CN1CCC(CCNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1 58171684 UKHQLLCUOJLAET-HNNXBMFYSA-N 362.396 1.408 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC3(CC1)OCCO3)C2=O 24998909 XXRCLBULJDPENF-ZDUSSCGKSA-N 358.394 1.345 0 40 FDAB O=C(NC1CC1)C(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 58217713 QZVUGUMIMLYHHV-UHFFFAOYSA-N 374.828 1.384 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)N[C@H](C)CC)c1 58226665 LCBQGZQFFWDBRX-CYBMUJFWSA-N 369.487 1.328 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)n3cncn3)[C@@H](C)C2)cc1 58342133 UMWJRPGCXVDTTO-UONOGXRCSA-N 357.414 1.363 0 40 FDAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(N2CCOCC2)nc1 10719938 AKSTWJBOSZTCQH-UHFFFAOYSA-N 369.421 1.896 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2cccc(OCC(F)(F)F)c2)n(C)c1=O 48363778 YHYOVGFVOSTRLG-UHFFFAOYSA-N 368.315 1.423 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1C 408617225 CEWBMTURWBOKSJ-UHFFFAOYSA-N 363.439 1.245 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)CCc4ccccc4O)CC3)ncnc21 12980537 BDMDNIGLLFHCOD-UHFFFAOYSA-N 366.425 1.350 0 40 FDAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cnc2n(c1=O)CCS2 12996833 MPSXPBOJSKQUAA-AWEZNQCLSA-N 371.418 1.526 0 40 FDAB CN(C(=O)c1ccccc1C(=O)OCC(=O)NC(N)=O)c1ccccc1 3526036 IAXCTVAMDNWPAV-UHFFFAOYSA-N 355.350 1.315 0 40 FDAB CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 69131653 HISAZYYHWIPFOS-INIZCTEOSA-N 357.479 1.863 0 40 FDAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC2CC2)C1=O 3610463 GRGKCUUADCEHQD-OAHLLOKOSA-N 366.215 1.495 0 40 FDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)N2CCOCC2)CC1 13010860 OGPMZNDDGMJXPK-AWEZNQCLSA-N 363.433 1.724 0 40 FDAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1ccnc1 6084793 GTYXYTOSPFYGRQ-HNNXBMFYSA-N 362.455 1.367 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 5000113 CTOPKDRKKFCPPB-UHFFFAOYSA-N 357.797 1.670 0 40 FDAB Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3)c2=O)c1 4266288 JZPTUAJMSDXPPK-UHFFFAOYSA-N 374.404 1.983 0 40 FDAB O=C(NCCCO)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4476476 KFEGZYKINXLGMS-GFCCVEGCSA-N 360.863 1.239 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc2ccccc2s1 14016121 ZJIYCVCILMURDJ-UHFFFAOYSA-N 358.408 1.739 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccco2)cc1 14142166 NBEIFGKEUDUTRJ-LBPRGKRZSA-N 352.412 1.695 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 14182802 UWTHRTIOMKFCOA-UHFFFAOYSA-N 364.389 1.993 0 40 FDAB CC(C)c1ccc(CN2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 22685419 VSJRGNIOKIGINB-UHFFFAOYSA-N 370.497 1.525 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O 6786384 KLLYNSRPVICLLQ-UHFFFAOYSA-N 360.414 1.130 0 40 FDAB Cc1cc(C)c(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]1 7118116 HWPVDTZVMRFANB-UHFFFAOYSA-N 353.378 1.294 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)n1 7530371 RNXIGDNWLQMQOF-ZDUSSCGKSA-N 371.470 1.764 0 40 FDAB Nc1nncn1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669661 KJQJIUDHHXHXRM-HNNXBMFYSA-N 371.422 1.507 0 40 FDAB C[C@@H](OC(=O)c1csc(NCc2ccccc2)n1)C(=O)N1CCNC1=O 7742485 VOVZRUKEXHMPGQ-LLVKDONJSA-N 374.422 1.852 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCCCCC1 9306712 JUZNRXSMJSQYIE-AWEZNQCLSA-N 355.460 1.847 0 40 FDAB CC(=O)c1cccc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c1 9386806 YDIBUAQYWBEQFX-UHFFFAOYSA-N 371.784 1.924 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1=O 9451033 VWPRAWQICBUMEC-PWJLMRLQSA-N 362.411 1.485 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)Nc1cccc(Cl)c1 9486657 IIGDBFDIYPIOPR-UHFFFAOYSA-N 370.796 1.874 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCCCc1nnc2ccccn12 72403537 VJZWLHMICHMRPO-UHFFFAOYSA-N 362.393 1.188 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)N(C)c3ccccc3)c(=O)cc2C1 67318877 WPWITCZELKEMPZ-UHFFFAOYSA-N 370.409 1.421 0 40 FDAB CN1CCC(NC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 78881127 RREYVGAKZPKQDR-HNNXBMFYSA-N 355.479 1.613 0 40 FDAB O=C(c1ncccn1)N1Cc2ccnn2C[C@H](OCc2ccncc2)C1 306123085 AECIAENVKDQLAV-MRXNPFEDSA-N 350.382 1.310 0 40 FDAB O=C([C@H]1CCc2nnc([C@@H]3CCN(c4ncccn4)C3)n2C1)N1CCCC1 306140479 UUQQUPCSWJUNQZ-CABCVRRESA-N 367.457 1.247 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O 218070085 FXSULYGGDBZGQW-ZIAGYGMSSA-N 370.423 1.318 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218025236 UPUHRNZJJNUABG-JJRVBVJISA-N 354.472 1.809 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217466154 MPDWKORMLBTSFV-UHFFFAOYSA-N 354.384 1.515 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377833 RUPLMDYHMIMAJB-ZDUSSCGKSA-N 363.447 1.344 0 40 FDAB Cc1cccc(CC2(O)CCN(C(=O)NC[C@H]3CCN(C)C(=O)C3)CC2)c1 564888171 RJBPECMAHRGKHM-SFHVURJKSA-N 373.497 1.942 0 40 FDAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCN1CCOCC1 222824500 MGHSTQNRHGIHNU-CQSZACIVSA-N 367.877 1.525 0 40 FDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 329218800 RZWFPBPJELELIS-UHFFFAOYSA-N 362.455 1.735 0 40 FDAB Cn1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1=O 225727537 KPWLVDYUHXLBII-UHFFFAOYSA-N 367.331 1.157 0 40 FDAB O=C(CCCc1cnn[nH]1)N[C@H]1C[C@H](NC(=O)c2sccc2F)C1 1577870818 NMIYFXJUHQXYEV-XYPYZODXSA-N 351.407 1.405 0 40 FDAB COc1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 226007461 SGWFLNVNDCYBCD-UHFFFAOYSA-N 351.476 1.941 0 40 FDAB Cc1noc(CCNC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)n1 571316481 JHFNSKAARXGHAZ-TXEJJXNPSA-N 366.324 1.433 0 40 FDAB COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(F)(F)CC3)[C@@H]2O)cc1 514288854 HMGGIPYNYKCVEY-HRCADAONSA-N 370.396 1.284 0 40 FDAB biogenic,in-vitro Cc1nn(C)c(C)c1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181642 OLDZMUGCWFOOKM-DLBZAZTESA-N 360.389 1.713 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1cccs1)C2 96050412 HVSAEGGINSGPQT-GOSISDBHSA-N 373.482 1.321 0 40 FDAB CS(=O)(=O)N1CC2(CCN(c3ncc(F)cn3)CC2)c2ccccc21 96078876 DCGFTBWJEPUWID-UHFFFAOYSA-N 362.430 1.934 0 40 FDAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159043 DQALPRYZLAVJOW-UHFFFAOYSA-N 353.426 1.312 0 40 FDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(C(=O)N1CCOCC1)CC2 96199991 XUPFGTACNSHQPV-MRXNPFEDSA-N 358.442 1.314 0 40 FDAB Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)c1 96225651 VSNQHJQIXGLIHV-OXJNMPFZSA-N 371.437 1.651 0 40 FDAB Nc1cc(-c2cncnc2[C@H]2CCN(S(=O)(=O)N3CCCC3)C2)ccn1 257234015 GRTCJTLTVDVWED-AWEZNQCLSA-N 374.470 1.251 0 40 FDAB O=C(CCCn1cc(COc2ccccc2)nn1)NCCC(=O)NC1CC1 252510490 ZLZXVLLSWSGMNM-UHFFFAOYSA-N 371.441 1.422 0 40 FDAB Cc1cc(N2C[C@H](C)OC2=O)nc(C2CCN(S(C)(=O)=O)CC2)n1 257207088 BGGYBYJJRNNGMV-NSHDSACASA-N 354.432 1.269 0 40 FDAB CCn1nc(C(=O)N2CCC[C@@H]2c2cncc(CNC(C)=O)n2)cc1C 257255848 KJCDZYNKBNHZHH-QGZVFWFLSA-N 356.430 1.615 0 40 FDAB CCOc1ccc(CCC(=O)N2Cc3ccnn3[C@@H](CC(=O)NC)C2)cc1 253386337 WJUXRQKVGKEVHX-KRWDZBQOSA-N 370.453 1.934 0 40 FDAB CN(C[C@H]1CCCN(c2ccncc2Br)C1)S(C)(=O)=O 286714185 ZNWZHIPOJNPUBE-LLVKDONJSA-N 362.293 1.952 0 40 FDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1 373468679 YSCJKJYPJZPBMT-GHMZBOCLSA-N 357.398 1.570 0 40 FDAB C[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NCCC1CCS(=O)(=O)CC1 660969788 CLDFZZDXMWBIGQ-JQWIXIFHSA-N 372.409 1.563 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cccc(C)c1Br 643940405 HAHDUQJHOOLVGL-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1 390828293 PWFBUDILKPCLHY-MRXNPFEDSA-N 364.409 1.968 0 40 FDAB O=S1(=O)C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575420922 FRQULIVXVLIEHB-HOTGVXAUSA-N 373.496 1.171 0 40 FDAB CCn1cnc2c(N[C@H]3CCCCN(Cc4nc(C)no4)C3=O)ncnc21 585088450 VHOKGWWMCLESNQ-LBPRGKRZSA-N 370.417 1.531 0 40 FDAB Cc1ccn(-c2ccccc2NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)n1 585123569 CNPQTTIJFSZTCC-HZPDHXFCSA-N 353.386 1.222 0 40 FDAB O=C(CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1)Nc1ccccn1 585277253 LJVJDDYNRKHTSG-IBGZPJMESA-N 359.401 1.465 0 40 FDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)COc3ncccn3)[C@H]2O)cc1 585283784 DQMJVFFFKRIHOC-QGPMSJSTSA-N 357.410 1.499 0 40 FDAB C[C@H]1CN(c2ccc(C(=O)N=c3ccn(CC(=O)O)[nH]3)cc2)C[C@H](C)O1 630134377 APTJAPFILNWQOI-STQMWFEESA-N 358.398 1.256 0 40 FDAB COC(=O)C1CCN(C(=O)CSc2nncn2-c2ccccc2)CC1 5621783 JOCWPJFIZLXAIP-UHFFFAOYSA-N 360.439 1.771 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 8105089 YVUJTVVJLXNTJC-JYRVWZFOSA-N 366.395 1.200 0 40 FDAB CCCC(=O)OCC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC 5781820 DCNQGZGXYOVUJJ-UHFFFAOYSA-N 370.427 1.875 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]21 12088726 OGLBKBMIISYWMD-PBHICJAKSA-N 352.438 1.946 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccc4nsnc4c3)C[C@H]21 12120089 DVPUHAMSQRHHKT-YPMHNXCESA-N 367.434 1.885 0 40 FDAB COc1ccc2cc(C)c3nn(CC(=O)N4CCCCC4)c(=O)n3c2c1 12181508 FILSWTLPDOXUCY-UHFFFAOYSA-N 354.410 1.979 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]c1=O 13582087 BGUZQWCALAIFPP-UHFFFAOYSA-N 351.771 1.671 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500722 MSDMPJYASGGKHD-XLPNERPQSA-N 362.401 1.803 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225506495 VUEOPIYQPHXUSV-AWEZNQCLSA-N 358.446 1.577 0 40 FDAB O=C(CN1CCOC1=O)N1CC[C@H](Oc2ncccc2Br)C1 238878742 OSIMBJOSWJGEQH-JTQLQIEISA-N 370.203 1.276 0 40 FDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843904 WUJBNKGAZDLYSC-PHIMTYICSA-N 361.389 1.961 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)c1F 1888906865 WJYRBWNUWXJBDN-PHIMTYICSA-N 354.393 1.417 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238810110 ACGWSZZIOZFEDN-KBPBESRZSA-N 368.389 1.249 0 40 FDAB O=C(CC1(O)CCC1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565554122 KNFIBKQHYMIDIS-FGTMMUONSA-N 360.454 1.909 0 40 FDAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)ccc1O 8770417 FNWGZLSTQXDWAB-OAHLLOKOSA-N 363.395 1.432 0 40 FDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccc(F)cc1 2055732575 PSLAOYJMDISWRS-HNNXBMFYSA-N 359.401 1.933 0 40 FDAB O=C(CCc1ccccc1)NC1CCN(CCC(=O)N2CCOCC2)CC1 40120486 WTBDMDDRUUFJCL-UHFFFAOYSA-N 373.497 1.449 0 40 FDAB COC(=O)[C@@H](O)C1CCN(C(=O)CCCOCCc2ccccc2)CC1 83884274 MPJAFMUAXPFKOK-IBGZPJMESA-N 363.454 1.798 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 45749688 BOTLYTHZSAZASM-PBHICJAKSA-N 355.438 1.847 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)c2ccc(C)s2)CC1 51098889 GHFDVABDDYBCMZ-LBPRGKRZSA-N 366.487 1.485 0 40 FDAB CC(C)Oc1ccc(CO[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093786 GHCMMBAHVMTGNP-ZKXLYKBJSA-N 368.426 1.589 0 40 FDAB Cn1ncc2c(Nc3ccc(F)cc3)nc(N3CCN(CCO)CC3)nc21 20732464 OTEUKYNSKQIOSV-UHFFFAOYSA-N 371.420 1.360 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1ccc(C)s1 7394226 HAPGVFVRMKWSLI-UHFFFAOYSA-N 369.420 1.752 0 40 FDAB CCc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 52140727 DGOGVHKMZRIIHS-AWEZNQCLSA-N 369.487 1.271 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102456267 MHGZCTHSZQEYQE-AEGPPILISA-N 372.421 1.660 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@H]1COc2ccccc2C1 103262163 QENIEKBNMDEDCS-OAGGEKHMSA-N 356.422 1.672 0 40 FDAB O=C1NC(=S)N/C1=C/c1cc(Br)c(N2CCOCC2)o1 103869014 YSHYNYMXCKGNFJ-RMKNXTFCSA-N 358.217 1.224 0 40 FDAB CCSc1nnc(NC(=O)COc2ccc(-n3cnnn3)cc2)s1 27912892 YFJQIOSXVLLYFP-UHFFFAOYSA-N 363.428 1.643 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)C(=O)O 816445 HMQLGMDEKOQOKN-OAHLLOKOSA-N 362.407 1.817 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCC2CCCC2)cc1 23637015 ZHZVUFAKGBHRBF-UHFFFAOYSA-N 368.455 1.464 0 40 FDAB C[C@]1(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCS(=O)(=O)C1 24448205 XGIMVNZTOYOCSO-ZBEGNZNMSA-N 370.858 1.386 0 40 FDAB NC(=O)NCCCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24601110 PAVBPXQAIKSUIS-UHFFFAOYSA-N 373.379 1.588 0 40 FDAB Cc1nnc(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)o1 24919830 LSBWYYYHSUOUJT-UHFFFAOYSA-N 353.400 1.764 0 40 FDAB CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 27594370 ICOTYNHBNHAYNZ-MRXNPFEDSA-N 371.478 1.216 0 40 FDAB O=C(CNc1ccccc1N1CCCC1=O)NC(=O)NCC(F)(F)F 10180157 BHIRONCOXAFCAW-UHFFFAOYSA-N 358.320 1.613 0 40 FDAB C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 12538859 JREGFBZDOKQANM-ZDUSSCGKSA-N 359.451 1.401 0 40 FDAB COc1cc(C(=O)OCc2cn3ccccc3n2)ccc1OCC(N)=O 58239081 LRYQNBQUKCTYAN-UHFFFAOYSA-N 355.350 1.564 0 40 FDAB CN(CC(=O)N1CCCC1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58305988 ZCHTYPFEHWEEBE-UHFFFAOYSA-N 358.373 1.066 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)CSCC(=O)Nc1cc(C)on1 58439159 JAVRJVXQDNCEPS-GFCCVEGCSA-N 369.443 1.599 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 64799542 IWKQRIORTSXWTN-UHFFFAOYSA-N 373.394 1.350 0 40 FDAB Cc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1I 48103434 IMHUINMQEBIDGS-NSHDSACASA-N 372.206 1.998 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H](c1ccco1)N1CCCC1 12891179 XVHZNTXRYFQZAL-KRWDZBQOSA-N 366.421 1.943 0 40 FDAB COc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1 3896560 KASYNZKIBCUKEH-UHFFFAOYSA-N 359.407 1.466 0 40 FDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371769 SVINFLQGJHSBKK-GJZGRUSLSA-N 363.476 1.463 0 40 FDAB O=C(NCCCCCO)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13569520 VMFPMHIAOIJCMI-LLVKDONJSA-N 366.853 1.502 0 40 FDAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc(C)[nH]n2)n1N 9109626 HOLWFWDWXZKWSI-UHFFFAOYSA-N 373.442 1.738 0 40 FDAB NC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 13628137 FIKNDRVDGYXRPI-UHFFFAOYSA-N 361.837 1.548 0 40 FDAB COc1ccc(NC(=O)Cc2csc(NS(C)(=O)=O)n2)cc1OC 13724252 HLLKAEFNTJJVNA-UHFFFAOYSA-N 371.440 1.713 0 40 FDAB O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)N1CCc2ccccc21 9057911 FDOFHJRPADDPDJ-INIZCTEOSA-N 359.357 1.047 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O 14135501 XEZGLIPSQHDSQX-KRWDZBQOSA-N 362.386 1.205 0 40 FDAB NC(=O)Cc1csc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 14140169 KZIAEBPHXCTBKZ-UHFFFAOYSA-N 360.317 1.759 0 40 FDAB CCOCCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 409118042 SBNHESHCTPMINI-ZDUSSCGKSA-N 358.460 1.393 0 40 FDAB Cn1cnc2c1c(=O)n(CCCSc1nc3ccccc3o1)c(=O)n2C 5628651 INKRQKTZQXKDBT-UHFFFAOYSA-N 371.422 1.757 0 40 FDAB C[C@H](OC(=O)CNC(=O)c1ccccc1)C(=O)N1CCc2ccccc21 5716309 GMVWMVYJQLNDBL-AWEZNQCLSA-N 352.390 1.937 0 40 FDAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 7737697 KMLONQCIPONGFH-UHFFFAOYSA-N 351.322 1.924 0 40 FDAB CCOc1ccccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 16313301 WQAFRZDZZVARSM-UHFFFAOYSA-N 360.414 1.783 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCCCc3ccccc3)nc2n1 7985143 KWZUJJZMMKXGNH-UHFFFAOYSA-N 367.409 1.647 0 40 FDAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCCN(S(C)(=O)=O)CC1 24925768 WUZKNYHXAUKHMK-HNNXBMFYSA-N 365.499 1.322 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)NCc2ccccc2F)n1 9690730 XYOKGFJFORCRCI-UHFFFAOYSA-N 365.386 1.033 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 96000476 LQORUIVWNGEWGU-SNVBAGLBSA-N 356.835 1.539 0 40 FDAB CCOc1cc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)ccn1 72294495 PGTQNBMIBMMDGR-UHFFFAOYSA-N 366.443 1.425 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3S2(=O)=O)cs1 306128689 HIGRBFGYMICOFZ-XJKSGUPXSA-N 364.496 1.493 0 40 FDAB CC(C)n1nnc(-c2ccc(C(=O)NCc3nnc4ccccn34)cc2)n1 95472120 RELHKZVPWLHMCR-UHFFFAOYSA-N 362.397 1.894 0 40 FDAB CCOCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC 20449217 FMSPWLXDBUTIEG-CYBMUJFWSA-N 354.472 1.944 0 40 FDAB O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)NCc2cccnc2)C1 543711834 UWEJHBKTZACCNG-KRWDZBQOSA-N 359.451 1.806 0 40 FDAB C[C@]1(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 23743394 GTHBHBXEQKIWDK-NSHDSACASA-N 358.268 1.849 0 40 FDAB CCNC(=O)C[C@H]1CCCCN1C(=O)c1cnc2c(cnn2C)c1OC 501311089 XCIAFXQVAIZAKZ-GFCCVEGCSA-N 359.430 1.498 0 40 FDAB O=C(c1ccc2nnc(O)n2c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 548642100 ZGEDIGBFCHUCJO-CQSZACIVSA-N 360.320 1.927 0 40 FDAB COc1ccc([C@@H]2Nc3ncnn3[C@@](O)(C(=O)O)[C@H]2c2ccccc2)cc1 72332378 HWZOXYWSBHJKOO-BXWFABGCSA-N 366.377 1.967 0 40 FDAB CC(=O)NCC(=O)N1CCC(c2nccnc2Oc2cccnc2)CC1 72384143 KYGNSRVHMTZYNQ-UHFFFAOYSA-N 355.398 1.506 0 40 FDAB CCOc1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 35648434 CMBANAGOIJMIAE-WBOGTDJTSA-N 353.421 1.732 0 40 FDAB CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 32916550 KJZZBQRPYRYAKH-CYBMUJFWSA-N 356.444 1.287 0 40 FDAB COCCNC(=O)[C@@H](OC(=O)c1cc2occc2n1C)c1cccnc1 35315773 BREAKUHCYHNYDB-INIZCTEOSA-N 357.366 1.827 0 40 FDAB COC(=O)Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12 41107488 UFLNMDRQKUCFTO-UHFFFAOYSA-N 365.389 1.428 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc2c(c1)OCO2 224300504 WRFUICCUYINXNH-UHFFFAOYSA-N 356.382 1.911 0 40 FDAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCOCC4)CC3)cs2)C1 225465267 BRDAJVJSFAIGNP-OAHLLOKOSA-N 367.515 1.172 0 40 FDAB biogenic,in-vitro NC(=O)c1cc(C2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)n[nH]1 225557930 JZDMZSLSQVSUCY-UHFFFAOYSA-N 370.438 1.980 0 40 FDAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(N)cc1 225314548 FGTYBFOVJWBIMY-UHFFFAOYSA-N 350.396 1.646 0 40 FDAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(Cn2cnnn2)cc1 230206776 FIOPSNGSGPHISC-ROUUACIJSA-N 354.458 1.716 0 40 FDAB biogenic Cn1cnc2c1[C@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 96264947 XOMBMOLHDRTEON-LJQANCHMSA-N 362.437 1.626 0 40 FDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCc1nnc2ccccn12 95473349 DORUBFWCCLKHKH-UHFFFAOYSA-N 374.404 1.312 0 40 FDAB CNC(=O)CN[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96241491 XBKAICJESUQJRD-KRWDZBQOSA-N 351.454 1.795 0 40 FDAB CN(C)C(=O)CN1CCC[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 96215348 CSXMPSCXHKDEFN-FQEVSTJZSA-N 361.461 1.771 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(c4cnccn4)C3)ccnc12 257223242 DWMXAHHNDDONFP-ZDUSSCGKSA-N 351.414 1.605 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257255237 KGRLHPBKTNTURI-INIZCTEOSA-N 356.430 1.371 0 40 FDAB Cc1nc(O)cc([C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257235352 GXLJCZWGCRSDQT-INIZCTEOSA-N 359.382 1.528 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(Br)cn2)C1 257335647 YLEHOMXBDKMHJJ-JTQLQIEISA-N 363.281 1.300 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1ncccc1C 273676148 KAWAPIUSHGXUJH-UHFFFAOYSA-N 350.396 1.504 0 40 FDAB O=C(CN1CCN(Cc2cnc3ccnn3c2)CC1)Nc1ccccc1 624186617 DJGIYQUDEICBRS-UHFFFAOYSA-N 350.426 1.486 0 40 FDAB Cc1ccc(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1S(C)(=O)=O 626461577 KDBQFVCJDNHSMG-AWEZNQCLSA-N 365.455 1.673 0 40 FDAB Cc1ncc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C2CC2)n1 1116899513 CWZFCFKEDLUTSK-INIZCTEOSA-N 357.458 1.217 0 40 FDAB CN(C)c1noc(CS(=O)(=O)Cc2cccc3c2OC(F)(F)O3)n1 629323513 GSBAJMQZTIXDBG-UHFFFAOYSA-N 361.326 1.572 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)nnn2C 656857495 HOOCYYFXNLSUFB-FZKQIMNGSA-N 353.430 1.294 0 40 FDAB COc1cccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 670416075 GPXWDXDFMDQGEK-ZDUSSCGKSA-N 356.382 1.502 0 40 FDAB O=C(c1ccsc1)N1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 675453854 DZECPRQUZSLMNM-CQSZACIVSA-N 358.485 1.405 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cn2ccc3ccccc32)c1=O 90590791 RWSJGSRJCSVNJK-UHFFFAOYSA-N 367.331 1.372 0 40 FDAB Nc1ncnc2c1ncn2CCC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 615064208 OSSROJGRXKXUHN-NSHDSACASA-N 360.809 1.122 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 585292069 JOKDCIDKJXSBNM-FSNWXROXSA-N 366.469 2.439 0 40 FDAB Cc1snnc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108793 JORWAXIVLUEZHA-DZKIICNBSA-N 360.439 1.830 0 40 FDAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)COc2ncccn2)C1 585276442 LORIYZSWOBWKAI-LJQANCHMSA-N 357.410 1.860 0 40 FDAB COc1cc(CC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)ccc1C 685942306 HYNALTUVLYOVBW-ARFHVFGLSA-N 358.442 1.346 0 40 FDAB Cc1cc(N[C@]23CC[C@@H]2CN(C(=O)c2cnc(C)s2)C3)nc(CO)n1 1615057163 FDISIVHHWZSWBT-PXAZEXFGSA-N 359.455 1.759 0 40 FDAB Cn1cncc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158964 SNNSHHGXDVDCPT-IBGZPJMESA-N 358.417 1.957 0 40 FDAB O=C(Cn1nc(-c2cccc(F)c2)n(-c2ccncc2)c1=O)N1CCCC1 12117400 DBDVAIAYVGGULA-UHFFFAOYSA-N 367.384 1.858 0 40 FDAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cn1cncn1)c1ccccc1O2 12326310 GULKPFPMTCMBQP-KXBFYZLASA-N 369.425 1.299 0 40 FDAB CCNC(=O)CNc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 13986993 OROZSPXPEOCBAQ-UHFFFAOYSA-N 363.487 1.688 0 40 FDAB COC(=O)Cn1c(C)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19581917 KBMBQDOVLMFSLC-BHYGNILZSA-N 371.481 1.762 0 40 FDAB C[C@@H](NC(=O)c1cnn2cc(CCO)cnc12)c1ccc2c(c1)OCCO2 19655270 JWAFLOQDSNYKJE-GFCCVEGCSA-N 368.393 1.526 0 40 FDAB CN1CC=CC[C@@]2(CN(C(=O)c3nccc4ccccc34)CCO2)C1=O 19704461 XFQMOOMZOZXFKC-HXUWFJFHSA-N 351.406 1.864 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1 653552824 HFDYCHSBAUBCSL-ZDUSSCGKSA-N 368.817 1.423 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1Cl 575605084 HGAFYNBVWRSUPS-UHFFFAOYSA-N 371.890 1.219 0 40 FDAB COc1cc(OC)nc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889118413 GBJFHVDWOLTTDV-GFCCVEGCSA-N 352.460 1.286 0 40 FDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4nccn4n3)sc2c1 1889279689 QNZYTAGBXTWFBF-UHFFFAOYSA-N 373.419 1.995 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2cc(OC)ccc2OC)c1 24452886 DQOURXIEBQKPPK-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB O=C1CC[C@H](C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)N1 1775995193 HKIKUEDLMXLRHX-MRXNPFEDSA-N 358.442 1.251 0 40 FDAB Cc1ccnc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037985095 XSQFKDLIZAURIZ-BFYDXBDKSA-N 370.384 1.047 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 2037840124 HJZWDCTZKCEONE-LJQANCHMSA-N 352.394 1.433 0 40 FDAB COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1 661401 CXUOJUWLZWHGCI-GXDHUFHOSA-N 367.361 1.893 0 40 FDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1cc2ccccc2oc1=O 10593790 ZKPWJODXQDHOHW-UHFFFAOYSA-N 365.324 1.838 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2OC)CC1 2055746244 DXFQBPGNUCZICR-UHFFFAOYSA-N 357.458 1.621 0 40 FDAB COc1ncccc1C(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055732550 NOVBGQHOCGHIJF-ZDUSSCGKSA-N 356.426 1.961 0 40 FDAB COc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1OC 12391238 YJNUCZZMDRBJNA-UHFFFAOYSA-N 357.370 1.315 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1CCS(=O)(=O)c1ccccc1 11215661 RTKINRVNSPSSCZ-UHFFFAOYSA-N 351.405 1.305 0 40 FDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2cccc(F)c2)n1 32091103 PVFNJJVFVDUICA-UHFFFAOYSA-N 359.313 1.979 0 40 FDAB Cc1ccn(CCNc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)n1 101692964 QISBDFXYIVQPOU-UHFFFAOYSA-N 365.437 1.226 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 6824038 UMJYXMDSYUKDTD-GFCCVEGCSA-N 366.414 1.818 0 40 FDAB NS(=O)(=O)c1ccc(OCCOC(=O)COc2cccc(F)c2)cc1 7184552 PCWPWZVNUQWUDG-UHFFFAOYSA-N 369.370 1.474 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 7940161 ALLGVDJCSHUHDI-LBPRGKRZSA-N 373.365 1.526 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 29704204 OWDXJUNYDRKUOR-INIZCTEOSA-N 358.442 1.305 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC1CCCCC1 32777720 LQAXIUUSYYGAMM-JTQLQIEISA-N 359.473 1.513 0 40 FDAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 52756446 XNNDYLUJTVLVQC-GXTWGEPZSA-N 368.455 1.294 0 40 FDAB O=c1[nH]c2nc(NCc3cccnc3)ncc2c(=O)n1-c1ccc(F)cc1 102911285 QGIALTUSHUDLEM-UHFFFAOYSA-N 364.340 1.615 0 40 FDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)cc1 9926534 JQMLBNDVXQERQP-OAHLLOKOSA-N 359.382 1.074 0 40 FDAB O=C(NC1CCCC1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030062 CXQRNEBRKTVAPA-OAHLLOKOSA-N 371.480 1.320 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1 23042749 YUJAMJKROHOORI-LLVKDONJSA-N 360.863 1.936 0 40 FDAB CNC(=O)CN(CC(=O)NC)Cc1ccccc1COCc1ccccc1 47044971 UAQYRQCRVSMSDX-UHFFFAOYSA-N 369.465 1.697 0 40 FDAB CCCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1C(C)C 54363529 IQSSEGKDOVESQR-UHFFFAOYSA-N 359.488 1.964 0 40 FDAB CCNC(=O)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 47262121 MNERJUKJYSIZCM-LLVKDONJSA-N 367.837 1.231 0 40 FDAB Cc1ccc2c(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)oc2c1 24315387 TVMIOBYYTFGMHY-UHFFFAOYSA-N 374.418 1.562 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 28208478 YLNQLDDMIIVUBP-UHFFFAOYSA-N 354.472 1.509 0 40 FDAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420212 NLDPJKAUWOWACW-PFHKOEEOSA-N 350.802 1.537 0 40 FDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(C(=O)c2ccoc2)CC1 25239196 DPLJVXRMVDGVGX-UHFFFAOYSA-N 351.366 1.459 0 40 FDAB C[C@H]1CN(c2ccccc2NC(=O)NC[C@@](C)(O)CN(C)C)C[C@@H](C)O1 107592835 UNUFRAXFPLLOCL-ZRGWGRIASA-N 364.490 1.734 0 40 FDAB C[C@H](COc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 55734593 YNORBBDNEHIKHP-OAHLLOKOSA-N 362.451 1.891 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 58268731 JWRXIRJRBHLMGO-UHFFFAOYSA-N 365.411 1.087 0 40 FDAB COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)cc1 57521522 AHKRTYCJIJFLMK-UHFFFAOYSA-N 372.450 1.987 0 40 FDAB COCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 12589426 SQQSMHMTBNDKSC-UHFFFAOYSA-N 355.460 1.512 0 40 FDAB CN(C)C(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306127898 GKHKUUDFLOAEPT-QWHCGFSZSA-N 354.414 1.316 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)C[C@@H](C)CC3 2223363 DTGPPYGROHXIPM-VIFPVBQESA-N 359.455 1.884 0 40 FDAB COc1cccc(N2CCN(CC(=O)NC(=O)c3cccn3C)CC2)c1 36384442 SLXUMAPUSQXHJG-UHFFFAOYSA-N 356.426 1.112 0 40 FDAB O=C(c1ccccc1)N1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 12693853 FGMODOOUCMHIFJ-IRXDYDNUSA-N 353.422 1.353 0 40 FDAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 12609135 NRKKXZLXRDAKRW-UHFFFAOYSA-N 355.366 1.975 0 40 FDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)N1 12732328 FXBROOOTAMTYMJ-RYUDHWBXSA-N 358.423 1.948 0 40 FDAB CCNc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1 8250831 YJOLDKVNJDCLCY-UHFFFAOYSA-N 360.486 1.788 0 40 FDAB O=C(NCCNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2[nH]1 13735940 AIVIUKGMCHMOPP-SFHVURJKSA-N 365.389 1.854 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 14137237 CDIRLQXJYDONJE-AWEZNQCLSA-N 371.528 1.455 0 40 FDAB O=C1CCC(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)=NN1 6653876 PJCSDPAPTHLOLX-UHFFFAOYSA-N 369.450 1.906 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005347 AGFZUDUJNDHTJG-OAHLLOKOSA-N 367.471 1.557 0 40 FDAB C[C@@H](Cc1ccco1)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96116258 AZDLOEAVJLWCCN-BLLLJJGKSA-N 355.394 1.858 0 40 FDAB biogenic O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCCc2ccccc21 9478138 AUZDSISQSPUTFA-AWEZNQCLSA-N 359.455 1.924 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cccc(Cl)c2)c(=O)[nH]c1=O 9450513 CHBKVCRLHAMYFQ-UHFFFAOYSA-N 350.806 1.849 0 40 FDAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nnnn1C1CC1 96743044 MNYIYPHNGSCTMN-UHFFFAOYSA-N 368.363 1.932 0 40 FDAB Cn1cc([C@H]2CN(S(=O)(=O)Cc3cccc4cccnc34)CCO2)cn1 97012887 MSMDELQKYCRXJI-QGZVFWFLSA-N 372.450 1.872 0 40 FDAB Cc1sc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1C 72304855 GGCNNELDXQOAMK-HNNXBMFYSA-N 365.499 1.935 0 40 FDAB CCN(CC)[C@@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)C1 72303382 HXIBEFKKXAOOMP-ZIAGYGMSSA-N 368.503 1.986 0 40 FDAB CCc1cccc(C)c1NC(=O)NCCS(=O)(=O)/N=c1/cccc[nH]1 72314270 CJQYGPADBWXZNR-UHFFFAOYSA-N 362.455 1.938 0 40 FDAB COCc1noc(CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1 95394464 DLLRRENTULVDLN-GOSISDBHSA-N 356.382 1.758 0 40 FDAB O=C(COC[C@H]1CCOC12CN(C(=O)c1cccc(O)c1)C2)N1CCCC1 306129003 HRBNNRBAUBMXME-MRXNPFEDSA-N 374.437 1.262 0 40 FDAB COCCn1cc(NC(=O)NCCc2nnc(-c3ccccc3)o2)cn1 78991757 PHVBDVAHXSRUSF-UHFFFAOYSA-N 356.386 1.944 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)COC)S(C)(=O)=O)cc1 408629592 DYJBVSHPOJOUMK-QWHCGFSZSA-N 358.460 1.391 0 40 FDAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cccnc2)c1O 1547206024 GBDQQBSGKXPUIP-OAHLLOKOSA-N 360.410 1.989 0 40 FDAB CN(C)[C@@H](CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 32989049 ZXPFRNWYIGOPPS-HNNXBMFYSA-N 358.442 1.270 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCC[C@@H](O)C(F)(F)F)C2=O 545284650 MYFHNDGHOHNBEM-BXKDBHETSA-N 358.316 1.409 0 40 FDAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1 31182295 MLOGUPIWAUTOFK-CQSZACIVSA-N 364.467 1.966 0 40 FDAB 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C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@H]1CN(c1nc3ccccc3o1)C2 1052505488 YTQNYOIZLUTTCD-XEKQOVJPSA-N 354.410 1.249 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 32641476 VOSHVLXNWYXKOO-CYBMUJFWSA-N 373.858 1.461 0 40 FDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccn(C)c(=O)c1 32937648 DZWIZFYTUAKLHT-UHFFFAOYSA-N 356.426 1.804 0 40 FDAB CN(C)c1cccc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c1 238836205 GTNQGPGQCSXBHC-IRXDYDNUSA-N 353.422 1.528 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 138542457 UTARYTBRPUDTLC-LQZABQIISA-N 366.417 1.907 0 40 FDAB CC(C)CN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 514290278 WCECJHBNPNJKII-RBUKOAKNSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro O=C(Cc1ccc(-c2nn3cnnc3s2)cc1Cl)N1CCOCC1 41126930 OUSRCTCCWUHPNK-UHFFFAOYSA-N 363.830 1.908 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCOc2ccccc2)s1 225105223 DHQPFWIBJKZFFA-UHFFFAOYSA-N 370.456 1.490 0 40 FDAB C[C@H](C(=O)N1CCOCC1)n1nnc(-c2ccc(Br)cc2)n1 44203193 VBEFLQAEHMHUGB-SNVBAGLBSA-N 366.219 1.522 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c(CC(=O)O)c1 575985736 ZYKICZIMGQBTEJ-AMKSKSKJSA-N 371.455 1.660 0 40 FDAB O=C1NCCN(CC2CC2)C12CCN(S(=O)(=O)c1cccs1)CC2 96230198 IZTLTVRBBJEIJT-UHFFFAOYSA-N 369.512 1.113 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)CC1 96112662 QDKZQKUTAFNHKF-SFHVURJKSA-N 355.442 1.856 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cc1 257200637 AEEIYISLTIKREO-QGZVFWFLSA-N 357.410 1.594 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)ncn1 257214745 CNGLCMMFVXLFCT-SFHVURJKSA-N 357.458 1.620 0 40 FDAB CN(C(=O)C1CCNCC1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257243901 IJAWLBLVYDELRS-SQNIBIBYSA-N 350.434 1.945 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCc2ccccc2F)C[C@]2(CCO[C@@H]2C)O1 656975180 HDVOWBJVFRATNC-CPUCHLNUSA-N 357.447 1.966 0 40 FDAB C[C@@H](N)c1ccc(NC(=O)C(=O)N(CCN2CCOCC2)CC2CC2)cc1 659102922 IZPBYKSMBLFUSC-OAHLLOKOSA-N 374.485 1.216 0 40 FDAB CC1(C)CNCC[C@@H](NC(=O)c2cc3n(n2)CC2(CCNCC2)OC3)C1 1775962109 SRICSBUIUFTNPU-CQSZACIVSA-N 361.490 1.044 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC(Oc2ncc(Br)cn2)CC1 1776009551 IDVBQELYCIXWII-LBPRGKRZSA-N 356.220 1.788 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 618766709 PVFNLDPJSSHCER-MRXNPFEDSA-N 364.348 1.741 0 40 FDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cnn4c3OCCC4)nc21 90583879 APCQDRFJGUHVOC-SECBINFHSA-N 362.411 1.967 0 40 FDAB O=C(C1CCC1)N1Cc2ccnn2[C@H](C(=O)N2CCC(F)(F)CC2)C1 575406722 ZWCYHRNQPHTMQF-AWEZNQCLSA-N 352.385 1.824 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C[C@@H]3C2)n[nH]1 585107582 IUKCKCXTDHDQMC-CHWSQXEVSA-N 359.455 1.581 0 40 FDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ccc(C)nc3O)CCO2)c1 585275750 ADYSHNKEEJYODU-FQEVSTJZSA-N 356.422 1.850 0 40 FDAB Cc1noc(CC(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@H]3C2)n1 585108058 ZBNFXXBJEZQPSD-JKSUJKDBSA-N 374.416 1.562 0 40 FDAB OCCOc1cncc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 685940539 NRXDNHIKIAEAEC-UGSOOPFHSA-N 357.414 1.666 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 43701003 ACBKGNQJVDPONP-LBPRGKRZSA-N 354.200 1.793 0 40 FDAB CO[C@H]1[C@H](CNC(=O)c2ccc(Cn3cccn3)cc2)COC[C@H]1OC 1615128298 IMHGCKRTAAPKJF-KURKYZTESA-N 359.426 1.338 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCCC2=O)cc1 12145686 JLHFCTFAUHAXIV-QGZVFWFLSA-N 368.437 1.997 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496175 ZZJUGYVSAAZSHH-NRTGNBEESA-N 360.410 1.282 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccncc1 12905077 YUHWTUYKXQLDKR-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB O=C(c1ccn(C(F)F)n1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 19371190 QMTRGFPDSNIHQC-UHFFFAOYSA-N 362.336 1.332 0 40 FDAB COc1ccc(CN2CC[C@H](c3nn(CCN)c4nccnc34)C2)cc1 19554905 KUSZROZRACRELO-HNNXBMFYSA-N 352.442 1.783 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1[nH]nc(-c2cc(OC)ccc2OC)c1C 19718139 FHHOKTYXVOWGPK-CQSZACIVSA-N 372.425 1.753 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCc2cn(C)nc2C)[C@H]1c1ccnn1C 613416773 XWWYKEGFQHHVKY-YOEHRIQHSA-N 358.446 1.078 0 40 FDAB COC1=C(OC)/C(=C/[C@H]2CCC=C[C@]23OC(=O)C(OC)=C3OC)OC1=O 13398508 ZOUXPJZALDSSRK-IBJXCILPSA-N 364.350 1.698 0 40 FDAB Cc1nc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)nc(O)c1F 1888866372 NKDDZSDCYLSHQT-CHWSQXEVSA-N 356.405 1.870 0 40 FDAB COCCc1nsc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889114184 RZUXOYOMYZXMNW-GFCCVEGCSA-N 356.517 1.519 0 40 FDAB Cc1nnc2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nn12 1889116574 MCMZNNDYKZJJKY-UHFFFAOYSA-N 364.400 1.907 0 40 FDAB O=C(NCCCn1ncccc1=O)c1ccc(OCC2CCOCC2)nc1 245020845 MKCSEGUEFCFRBK-UHFFFAOYSA-N 372.425 1.264 0 40 FDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)Cn4cc(Cl)cn4)C[C@H]3O2)n[nH]1 2055771554 HQPZUDPKIJHKRD-RAIGVLPGSA-N 350.810 1.342 0 40 FDAB COc1ccc(O[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 225442596 HMPBATDJWZRNEE-VIFPVBQESA-N 355.338 1.221 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H](N4CCOC4=O)C3)c2O1 618257664 ZNXXXDSYNRMHNF-CQSZACIVSA-N 360.410 1.832 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCO)n2CCCc1ccccc1 12647668 YQOYJLBQLZVACX-UHFFFAOYSA-N 360.439 1.141 0 40 FDAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cc[nH]n2)cnn1-c1ccccc1 19374437 FQDHHIZWTKJFSF-OAHLLOKOSA-N 350.382 1.665 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)C(=O)O1 19460954 APCKHURXNORNPR-WFASDCNBSA-N 358.442 1.518 0 40 FDAB Cc1nc2ccc(NCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2s1 40017897 AKJONLWVKRMYGY-UHFFFAOYSA-N 368.484 1.120 0 40 FDAB CCC/C=C/C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 40049233 RWQKVDYIFZVVOR-SNAWJCMRSA-N 358.485 1.742 0 40 FDAB C[C@]1(c2cccc(NC(=O)CCNC(=O)c3ccco3)c2)NC(=O)NC1=O 40111211 FAAHQUCMFIDHTC-GOSISDBHSA-N 370.365 1.093 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)C[C@@H]1C=CS(=O)(=O)C1 16446882 FLFFXCHGAPTJRI-OLZOCXBDSA-N 367.423 1.822 0 40 FDAB CCOC(=O)C1=C(COC)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 6154391 PHMFADUQYVQKKJ-MRXNPFEDSA-N 374.397 1.774 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCCCC2)c1 6579020 FDLHLWYHHNJLAL-UHFFFAOYSA-N 354.428 1.154 0 40 FDAB N[C@@H](CC(=O)O)c1cnc(NS(=O)(=O)c2cccc3ccccc23)nc1 8701487 WZYOSSGDACHMLH-AWEZNQCLSA-N 372.406 1.905 0 40 FDAB CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 83881789 VFSKEMJVMSMXPL-KRWDZBQOSA-N 373.434 1.337 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)cc1S(N)(=O)=O 9515213 RPHRACPLUBSCOT-UHFFFAOYSA-N 368.436 1.808 0 40 FDAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1nc(S)n[nH]1 102336536 PVBRNEBWDHOOOU-UHFFFAOYSA-N 362.378 1.502 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCC(=O)N3)s1 42316647 UVQJWDLCIBKKLB-UHFFFAOYSA-N 352.393 1.506 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC1 46969257 XQCGSUPBULGFMQ-AWEZNQCLSA-N 360.458 1.376 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)NCc2cccnc2-n2cccn2)c1 24796262 MVYDPADANPTXTP-UHFFFAOYSA-N 356.407 1.601 0 40 FDAB Cc1csc(CN2CC[C@@H]3OCCN(C(=O)c4cccnc4)[C@H]3C2)n1 108530417 RLVAGCGLZSDWGN-HOTGVXAUSA-N 358.467 1.962 0 40 FDAB O=C(COC(=O)c1cc(Cl)c[nH]1)NC[C@H]1COc2ccccc2O1 25199208 QOGXMUMOTMHHNH-NSHDSACASA-N 350.758 1.781 0 40 FDAB Cc1cc(Oc2ccccc2)nc(O[C@H]2C=CC(OCC(N)=O)=NN2)n1 26504857 LSMQEOLISAWBEA-HNNXBMFYSA-N 355.354 1.257 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1 8120145 CXVZTYCMUUJJMB-NSHDSACASA-N 365.282 1.729 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 8136282 DCAYKHPXUZVJHC-UHFFFAOYSA-N 352.394 1.922 0 40 FDAB CNc1snc(C)c1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58178592 ZMNHNCBCIDHDEW-UHFFFAOYSA-N 373.482 1.572 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 58295998 RWTZHURHALOQAI-HNNXBMFYSA-N 371.460 1.796 0 40 FDAB O=C(/C=C/c1ccccc1OC(F)F)NCCn1nc2ccccn2c1=O 58295480 HERDQDXLZQTKNS-CMDGGOBGSA-N 374.347 1.927 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20572326 XDZYNZCKHJDEOX-UHFFFAOYSA-N 368.437 1.975 0 40 FDAB COc1cc(OC)cc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)c1 12627755 WMZCJDQZPSEUSX-INIZCTEOSA-N 366.385 1.472 0 40 FDAB C[C@@]1(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 48374227 FRCYSHCMKNRIIR-CYBMUJFWSA-N 351.346 1.821 0 40 FDAB CC(C)c1nn(C)cc1CNCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 48367165 FKKWKPBHNCIHDC-ZIAGYGMSSA-N 358.508 1.072 0 40 FDAB CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1 38140736 BNRJWWJNGKDZEF-UHFFFAOYSA-N 364.427 1.824 0 40 FDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 13623981 KHGARDVQEVLEDB-MRXNPFEDSA-N 365.499 1.251 0 40 FDAB COCCn1c(C)c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 4314353 YRKSZIRHCKYEHS-UHFFFAOYSA-N 361.446 1.459 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O)C1CC1 4452616 KIXXBAPRGVNLTC-HNNXBMFYSA-N 355.316 1.566 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 14093821 RRQQMTSFZQPKLL-CQSZACIVSA-N 365.411 1.336 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 8403516 HPSBVVOBUOJQHA-INIZCTEOSA-N 361.442 1.648 0 40 FDAB O=C(CSc1nnc(-c2ccccc2F)o1)N[C@H]1CCS(=O)(=O)C1 4987098 WFNFRMNEVDJRGX-VIFPVBQESA-N 371.415 1.271 0 40 FDAB CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)NC(C)C)c(C)n2n1 7709882 JTCYDDIPWXXZDP-LLVKDONJSA-N 365.459 1.462 0 40 FDAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCCc1ccccc1 9156319 ODAAZNWZPKFDNI-GFCCVEGCSA-N 360.487 1.500 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)C[S@](C)=O)n2)cc1 96010497 NHDDJXAREPVOOO-YDGUKXNOSA-N 351.428 1.561 0 40 FDAB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 9302210 XOFYZVNMUHMLCC-WUBFEPDMSA-N 358.434 1.766 0 40 FDAB biogenic CC(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 9419589 DGFRPBIMMGNSMS-HNNXBMFYSA-N 357.332 1.812 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 72294936 MZKPKOLVNOULAP-UHFFFAOYSA-N 369.421 1.903 0 40 FDAB CC(C)S(=O)(=O)N(C)C(=O)c1cc(Br)c2c(c1)OCO2 72310849 PZICZMQJCHTZKW-UHFFFAOYSA-N 364.217 1.988 0 40 FDAB C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 84713900 ICGUAGGUCBRWIG-HZSPNIEDSA-N 367.471 1.609 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC1=O 75094439 CCQDTEVKEOCNSG-QLFBSQMISA-N 373.453 1.517 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cccc(SC)c1 75105058 LKXMXDJMIVRRCI-ZDUSSCGKSA-N 357.501 1.361 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(Cn2cccn2)cc1 8855893 XFFSWFSKFRSZBG-UHFFFAOYSA-N 373.416 1.958 0 40 FDAB Cn1nc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c2c1CCCC2 519864516 YNHDJWJQATVBKB-SFHVURJKSA-N 366.465 1.872 0 40 FDAB O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCc2c(O)ncnc2C1 1521467821 YZTXLTJXTOLMLB-UHFFFAOYSA-N 364.287 1.442 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1C 32876251 PQKSBKGTUPTYID-INIZCTEOSA-N 352.456 1.315 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)[C@@H](C)N1CCCC1=O 72336987 SAEIIGQQKMFAHB-NFAWXSAZSA-N 353.426 1.637 0 40 FDAB COc1cc(/C=C/C(=O)NC[C@@H](C)N2CCOCC2)cc(OC)c1OC 33081272 UFBFICZLSIPGAK-VBROQKIQSA-N 364.442 1.563 0 40 FDAB COC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 41058367 ZRBOIQVYVWCTCG-NSHDSACASA-N 374.846 1.030 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)Nc3ccc4c(n3)CCC4)CC(=O)N2C)cnn1C 573800599 UNKXAGXSSITCEW-UGSOOPFHSA-N 353.426 1.770 0 40 FDAB C[C@H](Sc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12)C(=O)O 85397314 NGAOHHBDNSFCFQ-VIFPVBQESA-N 369.410 1.670 0 40 FDAB CCOC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cncn2C1 96216547 NHBOQKXYKCVOLV-CQSZACIVSA-N 357.410 1.963 0 40 FDAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccnc2)n1 604382127 GKSVLZZQOVKWEN-NCXUSEDFSA-N 370.497 1.859 0 40 FDAB biogenic,in-vitro Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257286783 PNAIJOSJBRADRF-ZHALLVOQSA-N 358.442 1.404 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)c2cn3cc(C)ccc3n2)CCO1 257212839 CFDYOBWZMDXYIE-CQSZACIVSA-N 352.398 1.688 0 40 FDAB CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@@H](O)[C@@H]21 257301475 RYOBOUKZWQVMFW-BNEJOLLZSA-N 353.378 1.127 0 40 FDAB O=C(CCc1ccccc1F)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257254161 KBYCVXVMJVROMF-ROUUACIJSA-N 350.434 1.442 0 40 FDAB O=C(c1ccno1)N1CCO[C@H](c2cccc(Nc3nncs3)n2)C1 257269882 MRUNFPGJZAORBC-LBPRGKRZSA-N 358.383 1.878 0 40 FDAB CC(=O)N1[C@H]2CCN(CCOc3ccc(F)cc3)C[C@@H]2C[C@]1(C)CO 257309734 UCEQWEUDPOMQCF-ZYSHUDEJSA-N 350.434 1.898 0 40 FDAB CN(C)C(=O)COc1ccccc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1 1775959217 MHTVJKTZCUNVJN-BEFAXECRSA-N 358.442 1.744 0 40 FDAB CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(=O)n(C3CC3)c1)C2 1775956882 XLJOFXJYEUGPAF-CIWUYKSXSA-N 359.470 1.393 0 40 FDAB Cc1cc(OCC(=O)NC2(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)CC2)no1 1775997164 BDTKAJWSWNACFF-DOMZBBRYSA-N 361.442 1.905 0 40 FDAB CC/C=C(\C)C(=O)N1CCN(CC(C)(C)NC(=O)c2ccc(C)nn2)CC1 1775998033 YSKTVWVYVCRECI-VIZOYTHASA-N 373.501 1.794 0 40 FDAB COc1cccc([C@@H](C(=O)O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 634692485 BRGANSKPJYNUTG-CJNGLKHVSA-N 370.471 1.424 0 40 FDAB CCOc1ccccc1N1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 65502907 VITUIRNAGKIXAF-INIZCTEOSA-N 369.469 1.773 0 40 FDAB O=S(=O)(NC[C@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 657085576 NXRMQHJLLQXTFW-CYBMUJFWSA-N 369.361 1.152 0 40 FDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)OC1 575406410 XONVGYIGRJCSJQ-ZDUSSCGKSA-N 358.442 1.142 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)sc1C 570622829 MWMSMTJADWCSSR-GFCCVEGCSA-N 354.453 1.982 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575404969 PUYGDAISWDWXDF-INIZCTEOSA-N 356.382 1.340 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3OC)C2)CN1CC1CC1 585109681 ZKUKFULJGDERLO-KRWDZBQOSA-N 359.470 1.106 0 40 FDAB O=C(O)C[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 1032823 LRIYBXFUWYWNAR-MRXNPFEDSA-N 354.410 1.774 0 40 FDAB COc1cnccc1[C@H](C)NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1 644473145 IBZLCFPNFLCIPA-UGSOOPFHSA-N 364.446 1.166 0 40 FDAB CCS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H](CC(=O)O)C2)c1 562740506 SMGCOEAEYVGEKD-AWEZNQCLSA-N 368.455 1.877 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161489 YWOCTEMJWOPUOV-FQEVSTJZSA-N 366.421 1.823 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(NC(=O)C(C)C)CC2)c1 1263708353 LAPOGEQQFSQUQR-UHFFFAOYSA-N 359.426 1.894 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)NCc4ccccc4)CC3)ncnc21 13534942 BXARMOZBDXPVDM-UHFFFAOYSA-N 366.429 1.273 0 40 FDAB CCN(C(=O)c1sc(N2CCOCC2)nc1C)C1CCN(C)CC1 19657565 IWEGOCLQYZWGAD-UHFFFAOYSA-N 352.504 1.844 0 40 FDAB CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 19699838 HYNPZMGRSFGIGG-OAHLLOKOSA-N 364.490 1.428 0 40 FDAB O=C1NCCN(C(=O)CN2C(=O)CCc3ccccc32)[C@H]1c1cccs1 608195209 IADPQADMXHVYEQ-SFHVURJKSA-N 369.446 1.727 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@H]1CCCO1 6044532 ZEGWIYWDJNULKQ-GFCCVEGCSA-N 357.501 1.711 0 40 FDAB Cc1nnc(CN2CCC(Oc3ncc(Br)cn3)CC2)n1C 1888843102 VCBCUJUPLSCXCN-UHFFFAOYSA-N 367.251 1.719 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5cc(C)[nH]c45)C[C@@H]3C2)n1 1888879273 PFJXKERLXZMBHU-BETUJISGSA-N 351.414 1.638 0 40 FDAB O=C(c1cnn[nH]1)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888909583 BTGNQYUUJHRNQV-GASCZTMLSA-N 361.409 1.470 0 40 FDAB CCCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)CC)c(=O)n2CCC 20988564 MTMFDMAYQLOHNB-ZDUSSCGKSA-N 363.462 1.485 0 40 FDAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 29282221 FJPOBMIPYCMHKZ-LBPRGKRZSA-N 365.480 1.676 0 40 FDAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC(=O)C1 13000712 PAZXOGRQYXOFPX-QMMMGPOBSA-N 361.623 1.828 0 40 FDAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)[C@H]1C=C[C@H]2O1 389173408 JBBHISAMYXBGPK-DDHJBXDOSA-N 367.142 1.734 0 40 FDAB COCCN1CCO[C@@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)C[C@@H]2C1 1614936386 CCDNFJWLSYHUEL-MAUKXSAKSA-N 366.433 1.182 0 40 FDAB Cn1cc(N2C[C@]3(CCCN(CC4CC(F)(F)C4)C3)C2=O)ccc1=O 1615101302 HUNXUVJSKQSGCW-QGZVFWFLSA-N 351.397 1.859 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4ncn(C)n4)C[C@@H]32)CC1 1565551150 AVBZPCGGUQNCPG-DZGCQCFKSA-N 367.457 1.253 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565542441 ACJFLPUOYIMUDA-HBFSDRIKSA-N 368.437 1.779 0 40 FDAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 4941075 PHVJZEIUVSSBRM-UHFFFAOYSA-N 362.407 1.265 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCN(c4nncs4)C3)C2)cn1 2055824372 JUQRCAGSOKHWLT-KRWDZBQOSA-N 359.455 1.753 0 40 FDAB O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccnc1 206846471 MPQUJIGHEICXTG-CQSZACIVSA-N 372.406 1.919 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19238291 YIWMBKNPKDGZFP-GJZGRUSLSA-N 354.458 1.594 0 40 FDAB Cc1nc(-c2ccc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cs1 40073875 WSOYGAXRGJOWPP-AWEZNQCLSA-N 350.465 1.964 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@H](OC)c1ccccc1 69570966 ODZCQFAFSHHMNY-GFCCVEGCSA-N 369.420 1.727 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12 101022881 ADBHLWJITZEUHY-OIBJUYFYSA-N 371.136 1.377 0 40 FDAB CCCCCn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4004428 SGXJWRAKXCAFPR-CQSZACIVSA-N 361.490 1.998 0 40 FDAB NC(=O)NCCC[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)O 32124257 QDVJFJVPCXLDPG-ZDUSSCGKSA-N 364.377 1.188 0 40 FDAB biogenic CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)N2CCCC2)C1=O 4965779 LREYLHOINLUDNV-UHFFFAOYSA-N 371.437 1.705 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 20722426 MRYPJLYUZHMXJS-CYBMUJFWSA-N 360.414 1.968 0 40 FDAB CCN(c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(C)(=O)=O 10009969 WAUPUFAYAQBXEV-HNNXBMFYSA-N 356.444 1.147 0 40 FDAB CCc1nn2c(O)cc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)nc2c1C 100147039 BWMXNGFCFFPVDJ-ZDUSSCGKSA-N 368.441 1.977 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(S(C)(=O)=O)CC1 22098110 AQEYWGVETPVAOV-UHFFFAOYSA-N 354.428 1.045 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C(C)=O)c1 22759890 SSNMTJJYYRHTRP-GOSISDBHSA-N 372.446 1.751 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)nc1 23055510 HKBRBBIZGPWGMK-UHFFFAOYSA-N 366.381 1.430 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 54675226 TVWGBGBQKPECAD-UHFFFAOYSA-N 364.409 1.633 0 40 FDAB C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 12549299 HJIMWTPTHMWEIK-ZIAGYGMSSA-N 373.906 1.816 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCOc2ccccc21 26200134 QUUSFYGXVIDRAV-UHFFFAOYSA-N 369.421 1.957 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)C2)ccc1OC 26242267 OSIGGWWPDLDAPR-AWEZNQCLSA-N 370.471 1.323 0 40 FDAB C[C@H](O)CN1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@@H]1C 108163331 WUQZAIYRSLANHO-GJZGRUSLSA-N 362.474 1.467 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3290817 VRGMIFZZCVUMNZ-SOFGYWHQSA-N 363.366 1.431 0 40 FDAB C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2noc3c2CCCC3)C1=O 108663040 QPIYUOXDAMDHGB-LJQANCHMSA-N 368.393 1.620 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COC(=O)c2ccc(O)cc2)c2ccccc2O1 10031845 RKUWREYBOLUDFA-MRXNPFEDSA-N 370.361 1.089 0 40 FDAB O=c1oc(-c2cccs2)nn1C[C@H](O)COc1ccc2c(c1)OCO2 58168484 OELQDLHIQQRLGX-JTQLQIEISA-N 362.363 1.733 0 40 FDAB COc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 3395826 CYUYSSFKLPKBHC-UHFFFAOYSA-N 370.438 1.471 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373159 MCILINTZALSDTR-AWEZNQCLSA-N 355.302 1.548 0 40 FDAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCN(C3CC3)CC2)cc1 58208845 BYIBEQVQUCUYFW-UHFFFAOYSA-N 357.483 1.849 0 40 FDAB C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58342899 ITYNPHBGBMALGK-AOGGBPEJSA-N 360.439 1.528 0 40 FDAB COC(=O)c1ccc(Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)nn1 58440128 AZKSOSTYUIIOAL-NSHDSACASA-N 367.369 1.798 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@@H]2CCCCC2=O)cc1 3450124 GMFLFQLOUKTJQD-MRXNPFEDSA-N 369.439 1.809 0 40 FDAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C(C)C 16047024 FUAOVFMQLYWZLX-CYBMUJFWSA-N 356.444 1.146 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 16206413 ZGHWLXJRTQZQKI-LBPRGKRZSA-N 355.412 1.580 0 40 FDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(c2ccccn2)CC1 6043621 UWCRCXOSKJWCDI-UHFFFAOYSA-N 363.421 1.913 0 40 FDAB C[C@H]1C[C@H](C)CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 14187352 SWXCQUHFMXTVCG-STQMWFEESA-N 351.472 1.201 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 4515468 NWQLGJJRKASSGC-VOJFVSQTSA-N 359.382 1.855 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)CN1CCCCCC1=O)c1ccccc1 5781812 POKDQBCYBKYLQO-INIZCTEOSA-N 361.398 1.129 0 40 FDAB Nc1c(C(=O)NCc2ccccc2)nnn1CC(=O)Nc1ccccc1 4971782 RELFWQAXNDWBRZ-UHFFFAOYSA-N 350.382 1.429 0 40 FDAB CC(C)NC(=O)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 7095999 VCAUNHBPIPELMO-UHFFFAOYSA-N 362.213 1.373 0 40 FDAB O=C(O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 8699061 CYUVZKHJFQKACR-UHFFFAOYSA-N 352.334 1.096 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCN2C1=O 18409710 OIQIYARHTGQNFZ-FZMZJTMJSA-N 356.382 1.177 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 96000488 GAXYSNNAMKXGKM-SNVBAGLBSA-N 356.835 1.539 0 40 FDAB O=C(CCn1cccn1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005268 LZSKQOCFFXPNRW-OAHLLOKOSA-N 354.476 1.126 0 40 FDAB CNS(=O)(=O)CC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 83614279 CTTJKQZXQYQEND-GFCCVEGCSA-N 359.879 1.094 0 40 FDAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1 19938193 JEZFWLMCXGMXAU-ABHNRTSZSA-N 367.534 1.792 0 40 FDAB CCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccccn1 19910863 DHTGTMFKAAEBNT-UHFFFAOYSA-N 371.422 1.729 0 40 FDAB O=C(NCc1cn[nH]n1)c1cnn(-c2ccccc2F)c1-n1cccc1 97011488 NFRUBFJICFECFO-UHFFFAOYSA-N 351.345 1.850 0 40 FDAB C[C@H]1[C@@H](C)N(C(=O)NCCN2CCOCC2)CCN1C(=O)OC(C)(C)C 97035075 LKOVOSYTJNCEIO-CABCVRRESA-N 370.494 1.358 0 40 FDAB Cc1cnoc1C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 73230091 ROBBCOXQJRRHNS-UHFFFAOYSA-N 362.817 1.715 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 79070260 QFIVYRUNWIBJKA-OAHLLOKOSA-N 363.849 1.582 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CCCC[C@H]1CO 89643144 RMFKLMSWKNFYFX-SUMWQHHRSA-N 366.483 1.717 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1 306125699 CYWQPCQHQHLQMI-AWEZNQCLSA-N 373.482 1.546 0 40 FDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709687 FOGJNCAKNTVHPP-UHFFFAOYSA-N 369.421 1.360 0 40 FDAB CCOC(=O)c1csc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 524733400 OLTCIFYFTZWNDH-ZDUSSCGKSA-N 372.410 1.729 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 30918270 YOLFQGCNUCKDHU-LBPRGKRZSA-N 354.428 1.473 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@]1(O)CCCc2occc21 1565523212 JHQBGOFQWPMJDG-IBGZPJMESA-N 358.394 1.245 0 40 FDAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCn1ccc(=O)[nH]c1=O 75490445 MLCXQJGNRQNLQF-UHFFFAOYSA-N 365.773 1.070 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217643680 CSDPXMMYRAEUFC-LBPRGKRZSA-N 374.459 1.537 0 40 FDAB NC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Br)cc12 49543515 KEQCBLVAMZALRY-ZSGNIPIJSA-N 350.216 1.566 0 40 FDAB biogenic CN(C)S(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccccc1 223937696 ORDWJOUJQDZNOM-UHFFFAOYSA-N 353.488 1.996 0 40 FDAB CSc1nnc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)s1 224499773 WKDTULNLZWPFGV-UHFFFAOYSA-N 358.470 1.908 0 40 FDAB COCc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)n1 40286463 DOOYWHAYDXFSJL-UHFFFAOYSA-N 374.364 1.360 0 40 FDAB CCCC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O 96251957 WMBCRVYBWWJXGA-UONOGXRCSA-N 364.471 1.100 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)sc1C 96208757 GYWHUSQMUCWFOZ-QAPCUYQASA-N 350.484 1.786 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3nccs3)C[C@H]1CN(CCOC)C2 96055960 KTHSTMFWSYZKNP-YJBOKZPZSA-N 367.515 1.867 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N2CCC(C)=C(c3ccco3)C2)cn1C 331805172 KGBADHYSZOYFRK-UHFFFAOYSA-N 363.439 1.846 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3nccs3)C2)CN1c1cccnc1 96051337 RYWCCSLBVMWYJN-KRWDZBQOSA-N 360.439 1.173 0 40 FDAB Cc1ccccc1NC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCCN(C)C)C1 96253151 UTYUZTUFLCJVAN-HLLBOEOZSA-N 360.458 1.294 0 40 FDAB O=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)C1CC1 96206244 KHORXLXSIXPBDT-SWLSCSKDSA-N 357.501 1.348 0 40 FDAB COc1ncccc1CN1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96038545 KMJVGZYZNKZCOE-RBUKOAKNSA-N 354.454 1.961 0 40 FDAB CCn1c(=O)[nH]c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1=O 96180172 YPQSEPGOOXLVIN-UHFFFAOYSA-N 374.441 1.767 0 40 FDAB O=C(c1ccccn1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 247793383 BDWPYZJUCLCPDH-CQSZACIVSA-N 373.434 1.185 0 40 FDAB Cc1cc(F)ccc1C(=O)N1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 247844558 RRBNPMZVKDSNRS-CQSZACIVSA-N 366.418 1.077 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)n(C)n1 248007018 CGVWOBIGEYSCHS-KRWDZBQOSA-N 362.474 1.101 0 40 FDAB C[C@@]1(O)CN(Cc2cccc3[nH]ccc23)CC[C@H]1n1ccc(O)nc1=O 257294371 QTURDJUCQOPOHK-VQIMIIECSA-N 354.410 1.628 0 40 FDAB Nc1nccnc1C[C@@H]1CCCN(Cc2ccc(OCC(=O)O)cc2)C1 257332683 XYGFRIRYQXKNOU-HNNXBMFYSA-N 356.426 1.977 0 40 FDAB Nc1ncnc2c1ncn2[C@H]1CCN(Cc2ncccc2F)CC[C@@H]1O 257284853 PEOJOYIVAALTOE-KBPBESRZSA-N 357.393 1.141 0 40 FDAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)C3CC3)CCN21 253400369 LESHLSLWFHRNCM-HNNXBMFYSA-N 359.445 1.983 0 40 FDAB biogenic,in-vitro O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3cc[nH]n3)c2)N1 257326550 WXPVGJTWWFJWSZ-QRTARXTBSA-N 355.398 1.446 0 40 FDAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 285018599 IFAJGHHRIOBNCL-WFASDCNBSA-N 351.472 1.583 0 40 FDAB CN1CC[C@@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)S1(=O)=O 629028617 DWRCSKSCOBQWHU-ZDUSSCGKSA-N 362.373 1.624 0 40 FDAB CCC1(Cn2cc(C(=O)Nc3cnn(C4CCN(C)CC4)c3)nn2)COC1 634097293 WKNPKTACHIWDPT-UHFFFAOYSA-N 373.461 1.420 0 40 FDAB Cc1nc([C@@H](NS(=O)(=O)c2cc(C)c(C)s2)c2cnn(C)c2)no1 1663559734 LXZCRZKFLPYJOM-ZDUSSCGKSA-N 367.456 1.858 0 40 FDAB COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1 644473141 IBZLCFPNFLCIPA-FZKQIMNGSA-N 364.446 1.166 0 40 FDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N[C@H]1CCCNC1=O 297344163 KGDJFFCEJJMMFM-HNNXBMFYSA-N 353.426 1.439 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(Cc1nccs1)CC2 585100510 LVNRRXJVUOTPBY-INIZCTEOSA-N 371.528 1.535 0 40 FDAB COCCN1C[C@@]2(COCCN(c3ncnc4ccsc34)C2)CC1=O 585104544 PXDYLUZKRAERAL-KRWDZBQOSA-N 362.455 1.393 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)ccc1C(=O)O 671648014 WCQMHDUXABVIJE-LBPRGKRZSA-N 354.428 1.359 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC(=O)NCc3ccccc3)[C@H]3CO[C@@H]2O3)n1 952844775 IHSDDZKCPAXWAU-HSFUPAIVSA-N 372.425 1.025 0 40 FDAB biogenic,in-vitro CCOC(=O)C1(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CCCC1 84791212 RACWUTAARZLSGS-LBPRGKRZSA-N 358.394 1.663 0 40 FDAB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4nc[nH]n4)CC3)cccc2c1 651886192 MSAWMPKEWZTNMD-UHFFFAOYSA-N 372.454 1.168 0 40 FDAB O=C(CN1CCN(S(=O)(=O)C2CC2)CC1)N1CCCc2ccccc21 173131641 SPXWVGFBUORLOF-UHFFFAOYSA-N 363.483 1.076 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](OC(F)F)C2)c(F)c1 1615000857 XSQLEDQEWDFCSP-RKDXNWHRSA-N 353.318 1.963 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153071 AFZQXAPLSGXBBC-IBGZPJMESA-N 372.400 1.447 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(C(=O)O[C@@H]3CCOC3=O)cc2)CC1 5212150 XPIBHCNKPUHZJD-OAHLLOKOSA-N 367.423 1.580 0 40 FDAB Nc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl 12794208 VXBYKJCJCVDUBX-UHFFFAOYSA-N 360.757 1.887 0 40 FDAB Cc1nc(COc2cccc(C(=O)OCc3nc(N)nc(N)n3)c2)cs1 17737471 FWFZNTPAUGXEGI-UHFFFAOYSA-N 372.410 1.737 0 40 FDAB COCCN1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1 19593442 GDRDXOWNHFBDBP-QGZVFWFLSA-N 370.457 1.554 0 40 FDAB CCCC(=O)N1CCC(N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)CC1 19699520 YVTSIWFBWLHCFO-UHFFFAOYSA-N 364.490 1.572 0 40 FDAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1 19710752 UPTCWRPZXXUULP-QGZVFWFLSA-N 369.469 1.729 0 40 FDAB O=C(Cc1ccccc1F)Nc1cnn(CC(=O)NC2CCOCC2)c1 19749455 ZNCZHRBKFZOXSE-UHFFFAOYSA-N 360.389 1.499 0 40 FDAB Cc1cnn(CC(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)c1 19749830 QQHLFWSPDWZFGS-AWEZNQCLSA-N 361.471 1.768 0 40 FDAB CCOC(=O)[C@@H](CO)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 611288614 DVPJFUVXKFYDBC-QGZVFWFLSA-N 367.405 1.988 0 40 FDAB O=C(NC[C@H](Oc1ccc(Br)cc1)C(=O)O)C1CCOCC1 514605008 LEIWCQUJBZLFSO-ZDUSSCGKSA-N 372.215 1.824 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](Oc2ccc(C)nn2)C1 225463551 NPEPQPOHKRIFOF-LSDHHAIUSA-N 366.487 1.413 0 40 FDAB O=C(NC1CC1)c1noc([C@H]2CCCN2C(=O)c2ncc(F)cc2F)n1 516838418 GPJTZXRGFORZEJ-LLVKDONJSA-N 363.324 1.612 0 40 FDAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(N2C(=O)COCC2=O)CC1 575607911 LDMGYIWNUONTIA-UHFFFAOYSA-N 370.327 1.695 0 40 FDAB O=C([C@H]1CN(c2nc3cnccc3s2)CCO1)N1CCSCC1 1888842932 KQJMBLCZYZTVJD-GFCCVEGCSA-N 350.469 1.472 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888890294 OUYKGLOGEBAHGK-UHFFFAOYSA-N 370.486 1.819 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)nc2ccccc21 1888903774 YNIJRTPPKNXHPO-CHWSQXEVSA-N 351.414 1.383 0 40 FDAB CCOC(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1888913799 CLBGOYYELIWFNF-UHFFFAOYSA-N 369.468 1.978 0 40 FDAB O=C1CN(C2CN(c3ncc4cc(Br)ccc4n3)C2)CCN1 1889102669 JAMHXTUGWDJMOG-UHFFFAOYSA-N 362.231 1.013 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)CCN1C(C)C 1848353751 PSJIRDWOCJASID-GOSISDBHSA-N 372.469 1.468 0 40 FDAB Cc1ncccc1CCC(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 1614938551 ULDDVHVCQPYXAN-HXUWFJFHSA-N 367.453 1.712 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cc(F)ncc3F)CC[C@@H]21 1565549256 OSLQZGJCKOCDRQ-HOTGVXAUSA-N 368.428 1.227 0 40 FDAB O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565544985 VNEROWXJMYYQGW-UHFFFAOYSA-N 350.382 1.905 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccc3c(c2)OCO3)CC1 2055747179 OCMDCCFAUIPWBA-UHFFFAOYSA-N 371.441 1.342 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1C 211098488 YLSRZGAXVCZETC-UHFFFAOYSA-N 364.471 1.955 0 40 FDAB COC[C@](C)(CNS(=O)(=O)c1ccc(Br)s1)OC 575610902 CBNFVIIRUZVISU-JTQLQIEISA-N 358.279 1.840 0 40 FDAB Cc1c(C(=O)N2CCN(c3cnsn3)CC2)cnn1-c1ccccc1 585149019 WUOIJIVJNJGKPO-UHFFFAOYSA-N 354.439 1.995 0 40 FDAB O=c1cc2c(nn1CC1CN(c3cc(=O)n4ccccc4n3)C1)CCCC2 585604166 AXASFWNOQZRMMM-UHFFFAOYSA-N 363.421 1.266 0 40 FDAB C[C@@H]1CCc2c(nc(N)n(CC(=O)N3c4ccccc4C[C@H]3C)c2=O)C1 12240161 SCSIMQIZTHPCCX-CHWSQXEVSA-N 352.438 1.928 0 40 FDAB Cc1ncsc1C(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19562317 ITLDHPYTORFVTL-GFCCVEGCSA-N 356.455 1.703 0 40 FDAB CC(=O)Nc1ccc(CC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1 40154335 NZTYJPABYFMFCH-UHFFFAOYSA-N 374.462 1.919 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 40149007 XYYZDTIXBBNKJP-STQMWFEESA-N 371.430 1.790 0 40 FDAB NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2ccc(Cl)s2)c1 40223043 VAVUUPAVCQLEDK-UHFFFAOYSA-N 370.836 1.989 0 40 FDAB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cc(=O)[nH]c2ccccc12 50320282 IVUZNJYYTJXJKF-SJORKVTESA-N 370.405 1.855 0 40 FDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(N2CCOCC2)cc1 8394538 DDJKCXJAXPREFU-NSHDSACASA-N 374.470 1.597 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCC1(c2ccccc2F)CC1 101192170 VTDDPUVLVJGMIF-LUVWLHFXSA-N 368.408 1.781 0 40 FDAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCOCC1 4327538 GWCQIHVMZSGCGM-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2 4965819 ZYNUNVTZPSOUMY-UHFFFAOYSA-N 373.453 1.951 0 40 FDAB Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCc1cccnc1)C(=O)N2C(C)C 101444388 QQSHIWCZGSHGQN-KRWDZBQOSA-N 366.421 1.619 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)C[C@@H](C)O1 29188878 LWXRLQKVTOAWIK-TXEJJXNPSA-N 360.863 1.509 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O 32674821 MMZFHNPSWQVZAD-OXQOHEQNSA-N 370.453 1.098 0 40 FDAB CC(C)Cn1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O 45972961 RSRGMFWZIAFYPC-UHFFFAOYSA-N 356.426 1.390 0 40 FDAB CC(C)CCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102067542 CVVJHFOOOOZCLW-CXTCDGGRSA-N 366.458 1.733 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102088231 GUSQRVIGTKPWEJ-MGBSGCIJSA-N 368.389 1.609 0 40 FDAB CCn1cc(NC(=O)c2ccnn2C)c(C(=O)NCCc2ccccc2)n1 17075236 LAYQHJXPVINSTM-UHFFFAOYSA-N 366.425 1.861 0 40 FDAB CCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(=O)n(C)c(=O)n(C)c21 11845260 KHYBKMFSLNFYIC-STQMWFEESA-N 360.458 1.567 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)c1ccc(Br)o1 102306951 HKXUFIBIJXJSNP-OSTYVCCYSA-N 365.183 1.884 0 40 FDAB COc1cc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc(OC)c1 32876451 RHPDPWPTJMRROH-UHFFFAOYSA-N 359.382 1.220 0 40 FDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn12 101346314 ZIUSNPVVAFJSBF-CHWSQXEVSA-N 361.361 1.540 0 40 FDAB CSc1ccccc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O 2630533 OTLRWUDVAVBWRD-UHFFFAOYSA-N 368.436 1.377 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1c(F)cccc1Cl)C1CC1 32906560 ILJZWDPIFBSABB-UHFFFAOYSA-N 351.765 1.520 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(NS(N)(=O)=O)c1 47251290 JFNLJPDHKAOQLC-UHFFFAOYSA-N 359.404 1.550 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccco4)CC3)ncn2)n1 23144347 LVJCMZAMMWJZKN-UHFFFAOYSA-N 352.398 1.835 0 40 FDAB C[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCO2 27631029 IHWXNHJMSNRJJD-CQSZACIVSA-N 369.425 1.205 0 40 FDAB C[C@H](CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 58208716 JFFCJRQCMVEVPS-CQSZACIVSA-N 359.451 1.794 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1)c1ccccc1 58328576 STEFGRJRHOVJRD-HNNXBMFYSA-N 357.454 1.161 0 40 FDAB CC(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 12824749 OHDVVNAXQDSZMA-UHFFFAOYSA-N 356.401 1.804 0 40 FDAB COc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 4019147 XETXTEAPMQOLHX-NONVJHHQSA-N 356.422 1.867 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4269852 SYRPPKBGHHVDAO-OPQQBVKSSA-N 366.336 1.775 0 40 FDAB COc1ccc(CNC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5166095 GGOBKJINPVQKEP-UHFFFAOYSA-N 367.361 1.405 0 40 FDAB CN1C(=O)N(CN2CCCCC2)C2C1N(C)C(=O)N2CN1CCCCC1 4395524 QEZGYFJHHMHQNA-UHFFFAOYSA-N 364.494 1.260 0 40 FDAB CCOc1ccccc1CCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 39977635 WKLDRNFOLNYKKX-SFHVURJKSA-N 360.454 1.868 0 40 FDAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)C(=O)N(C3CC3)C2=O)c1 14135798 ZFAJVDKEWBHOFH-OAHLLOKOSA-N 373.409 1.751 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 14121717 IOWNBMYWSNTUEY-OAHLLOKOSA-N 372.469 1.329 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2 15224406 LINDLRCPNSRAMI-LLVKDONJSA-N 364.398 1.556 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 16206411 ZGHWLXJRTQZQKI-GFCCVEGCSA-N 355.412 1.580 0 40 FDAB COc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1-c1nnn[nH]1 71284969 RFXQJFUWNMLHOK-UHFFFAOYSA-N 353.338 1.755 0 40 FDAB O=c1c2ccccc2ncn1CCS(=O)(=O)NCc1ccc(F)cc1 9384945 AZJMWIPCXZSEQB-UHFFFAOYSA-N 361.398 1.655 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H](c1ccco1)N1CCCC1 9336459 UYALMZCHWMTFRB-CQSZACIVSA-N 374.441 1.397 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 9734036 NWGGROGVWLUAME-UHFFFAOYSA-N 372.425 1.425 0 40 FDAB CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)c1cccc(S(N)(=O)=O)c1 97001461 KCTJOWIJOGJABI-HOCLYGCPSA-N 370.471 1.487 0 40 FDAB CN1CCN(C(=O)Nc2ccccc2I)CC1=O 72313528 ZNMXCQONMFAPPL-UHFFFAOYSA-N 359.167 1.597 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 78493886 UQSPTCJDGBIYBN-ZDUSSCGKSA-N 362.430 1.125 0 40 FDAB O=C(NCCn1cccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 95406985 FQZNXLBNTJSRBD-UHFFFAOYSA-N 363.439 1.408 0 40 FDAB Cc1nnn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)n1 79110075 HOQMQRWDAMTVTM-OAHLLOKOSA-N 364.409 1.304 0 40 FDAB O=C(CCc1nc2ncccc2[nH]1)NC[C@H](c1ccco1)N1CCOCC1 79488899 QGSCXOVPBPPIPN-OAHLLOKOSA-N 369.425 1.673 0 40 FDAB CCC(CC)C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961315 WFEGZYTWCKWSQY-QGZVFWFLSA-N 361.490 1.496 0 40 FDAB CCCCn1nnnc1COC(=O)CCn1c(=O)n(CC)c2ccccc21 26293297 KGTFYWKDTXJNCK-UHFFFAOYSA-N 372.429 1.743 0 40 FDAB COc1cc([C@@]2(C)OC[C@@H](CN3CCOCC3)O2)cc(OC)c1OC 33852241 ZIOBPMQEBOCFLH-KDOFPFPSSA-N 353.415 1.633 0 40 FDAB in-man COCCn1c(C(=O)NCc2ccccc2OC)nc2ccccc2c1=O 32100913 WHJSKPNUTHJBQM-UHFFFAOYSA-N 367.405 1.982 0 40 FDAB C[C@@H](C(=O)N1CCNC1=O)n1nnc(-c2ccc(Br)cc2)n1 31731759 ZNWZCJQFGVPRKF-QMMMGPOBSA-N 365.191 1.215 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814386 YKJWFYRVMGGSQU-UHFFFAOYSA-N 373.390 1.686 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnccn1)CC2 72347081 YJDYESSIMDVTEY-UHFFFAOYSA-N 352.398 1.074 0 40 FDAB O=C(NCCCO)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 223379871 HCKVFBVCMJLDHH-UHFFFAOYSA-N 360.435 1.550 0 40 FDAB O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220894622 OMFCRUIPGZQBOJ-NSHDSACASA-N 371.422 1.976 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@]2(C)CC(c3cccs3)=NO2)CC1 226749753 OQOVFEIFBLQOLB-INIZCTEOSA-N 351.428 1.932 0 40 FDAB CN(c1cccc(NC(=S)NCc2ccncc2)c1)S(C)(=O)=O 225333500 YSRSIGVKTVXXMC-UHFFFAOYSA-N 350.469 1.964 0 40 FDAB CC(C)CN1CC2(CN(Cc3cccc(C(=O)O)c3)C[C@H]3C[C@@H](O)CN32)C1 514289507 MVPIUQZSOPCQDC-RTBURBONSA-N 373.497 1.346 0 40 FDAB biogenic,in-vitro COc1ccc([C@H](OC)[C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 576700619 NWTZOTDTFUVKJT-TUKIKUTGSA-N 372.443 1.155 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3cccn3C)C2)CC1=O 96239404 BCLIBVZZOLLEPD-LJQANCHMSA-N 356.426 1.895 0 40 FDAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(c1ncc(F)cn1)CC2 96260340 GPFJETOBCHRLGA-UHFFFAOYSA-N 372.448 1.820 0 40 FDAB Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 96039537 JJFCUUMONJERDM-FUHWJXTLSA-N 351.447 1.573 0 40 FDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1nnc2ccccn12 95473291 UXHOBXGNZRZUCY-UHFFFAOYSA-N 360.377 1.269 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCCc2ccccn2)cn1 257324639 WPOOOVAFYVYNKY-UHFFFAOYSA-N 363.421 1.876 0 40 FDAB C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N=c1nc(O)c2cnn(C)c2[nH]1 585138474 UWXGCXIVCPSQCB-BBRMVZONSA-N 352.442 1.813 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)s1 257242248 IBRBFZQFMDWVOQ-JTQLQIEISA-N 355.441 1.397 0 40 FDAB Cc1ncc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)s1 257251251 JPZSSEBQBAXGPT-UHFFFAOYSA-N 367.500 1.894 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3CCO)C2=O)cc1 250505491 MGDOWMYFYRADJK-DOTOQJQBSA-N 374.437 1.732 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257301785 RZWVBPZAVJXJMJ-OAHLLOKOSA-N 354.414 1.895 0 40 FDAB Cc1ccc(CNC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)cc1 85436899 IKZWXOAVMUYPFE-SFHVURJKSA-N 357.454 1.555 0 40 FDAB Cn1cc([C@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)C[C@@H]2C(N)=O)cn1 284555973 IPPSVNAFKJWWTC-SQNIBIBYSA-N 368.437 1.152 0 40 FDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cc([C@H](N)[C@@H]3CCCO3)nn2)c1 641223885 JPRFTOVLVWSILH-PVUWLOKVSA-N 366.849 1.859 0 40 FDAB COC(=O)c1cn(NC(=O)c2cc(CC(C)C)[nH]n2)cc2c(O)nnc1-2 604419747 XCMRLZOQAMTEFQ-UHFFFAOYSA-N 358.358 1.181 0 40 FDAB Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccns4)CC3)C2)co1 1615610452 CWCXEBYYLYWJLJ-UHFFFAOYSA-N 362.455 1.947 0 40 FDAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 621541501 GDQDWQSAYZCYBM-MJVIPROJSA-N 350.396 1.200 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc(F)ccc1Cl 390831732 UKNNHDVYKWBFFF-CYBMUJFWSA-N 374.865 1.860 0 40 FDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)OC1 575404833 OZHRDNNHVPFDCX-AWEZNQCLSA-N 372.469 1.532 0 40 FDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)Cc1c(C)nc2ccccn12 585279023 RYIDTEUPLZJBDV-LJQANCHMSA-N 358.442 1.329 0 40 FDAB O=C(NCC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn21)c1cnccn1 585111815 CFNDICRFIZEIJY-AWEZNQCLSA-N 369.429 1.066 0 40 FDAB O=C(CC1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCCC1 48324367 IMBCYZSZSRHHBI-UHFFFAOYSA-N 360.483 1.981 0 40 FDAB CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1cccc(CN2CCOC2=O)c1 56160920 RRNRLKDGZZQXFG-CYBMUJFWSA-N 362.430 1.921 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)Cc2cccs2)CC1 585322462 NXMFVECYZWRYEQ-UHFFFAOYSA-N 353.469 1.489 0 40 FDAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 5016599 SKJQLTJKKSRYOU-UHFFFAOYSA-N 360.435 1.953 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 5004986 LDWQEXOLYJCELF-LLVKDONJSA-N 370.456 1.787 0 40 FDAB aggregator Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCCn1ccnc1)CC3 12221537 AJJNTZHKCLVQPI-UHFFFAOYSA-N 371.466 1.828 0 40 FDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)CCn1nccc1C)CC3 12253547 YZGYXOLNZFVEIQ-UHFFFAOYSA-N 371.466 1.746 0 40 FDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccsc1 12601830 LOPGTKAIHSYHLH-YQQAZPJKSA-N 364.515 1.912 0 40 FDAB biogenic,in-vitro Cc1nn(C)cc1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 12740495 DYJSPXWZCZKAKX-UHFFFAOYSA-N 361.409 1.806 0 40 FDAB Cc1nc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cn1C 548335344 ZBGJCASQBVCMFU-NEPJUHHUSA-N 367.431 1.188 0 40 FDAB Cc1cc(S(=O)(=O)N(C)CC(=O)NC2CC2)ccc1Br 7702738 JCUPPKOBIOEDPP-UHFFFAOYSA-N 361.261 1.657 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)Cc4ccc(F)cc4)C[C@@H]3C2)nc(O)c1F 1888873376 UCIWCHVIHNTBCI-ZIAGYGMSSA-N 374.391 1.906 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)c21 1888890116 SVZHJCAQZOMKDQ-UHFFFAOYSA-N 364.335 1.499 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccc(F)cc2F)nn1 1888918097 HXLCMGOCOYXXFI-CQSZACIVSA-N 363.324 1.737 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCCN(Cc4nnco4)CC3)nn12 1776001138 AIZYFGBYGPGRRQ-UHFFFAOYSA-N 368.323 1.238 0 40 FDAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCC1 17178595 DJSZJOUZBRHUFQ-GOSISDBHSA-N 359.470 1.625 0 40 FDAB COc1cccc(NC2(C(=O)NC3CC3)CCN(C(=O)CN(C)C)CC2)c1 2055747502 BSOJKWZQWVYBRR-UHFFFAOYSA-N 374.485 1.309 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cn1 2055745793 BADNLBFQSKFRTB-ZDUSSCGKSA-N 369.425 1.733 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23106699 GGNHNFDQQOFDKA-INIZCTEOSA-N 373.478 1.554 0 40 FDAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccno3)o2)cc1 35590090 PSJJIQDOKUOGBP-UHFFFAOYSA-N 363.355 1.227 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCOCC3)C2)n(C(C)C)n1 2332241554 GSMVABPXYALSGE-NUEKZKHPSA-N 352.479 1.771 0 40 FDAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 538220 XOFYZVNMUHMLCC-GFKWAKDYSA-N 358.434 1.766 0 40 FDAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 59424681 VIMYQZLAKVCEMR-UHFFFAOYSA-N 357.389 1.641 0 40 FDAB Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc(O)ccc12 20546735 XIFADTMPGURQTH-UHFFFAOYSA-N 360.410 1.188 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc(Br)c1 4697527 FIMAFPQESYXHQJ-FQPOAREZSA-N 361.195 1.901 0 40 FDAB COc1cc2ncn(CC(=O)Nc3ccccc3O)c(=O)c2cc1OC 20763032 KUAGLUQVNAPQNM-UHFFFAOYSA-N 355.350 1.758 0 40 FDAB biogenic CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8297540 DUGBEHGBABJYFN-LXZKKBNFSA-N 355.442 1.449 0 40 FDAB biogenic,in-vitro COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(N(C)C)cc1 101040191 ZDBRIPNGYGPMKT-PASDCYSWSA-N 363.410 1.138 0 40 FDAB CC[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)C 32824364 JDISDIUDZUVMSH-MRXNPFEDSA-N 367.515 1.931 0 40 FDAB O=C(c1cnccn1)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 107198079 AVZPSWUMCJDIBQ-JKSUJKDBSA-N 356.401 1.731 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)C(=O)NCc1ccccc1 55345101 OSZIMZHGKNWYFU-RHSMWYFYSA-N 371.437 1.855 0 40 FDAB CCOc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 798463 VDAWSBBZRRWLDX-UHFFFAOYSA-N 360.391 1.869 0 40 FDAB COCCCN1C(=O)[C@@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O 100219246 ZPFJIQHGBMTWFK-DGCLKSJQSA-N 367.199 1.574 0 40 FDAB COc1cccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 17070043 WNAZNMDVPAGOEG-UHFFFAOYSA-N 360.458 1.145 0 40 FDAB COc1ccc(OCCN2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 22781184 NOSRPUVHEDHERY-FQEVSTJZSA-N 369.465 1.918 0 40 FDAB CCc1cccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)c1 47344562 BFDWYHBIWQNJEE-UHFFFAOYSA-N 354.458 1.983 0 40 FDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 101342653 BUSNJYUATAMIJI-GXTWGEPZSA-N 362.748 1.814 0 40 FDAB C[C@@H](CNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCOCC1 55300592 KRPKIAYIUKGCNH-JQWIXIFHSA-N 357.863 1.731 0 40 FDAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925116 XIMHBRWYDJFACW-PTANVVALSA-N 366.498 1.796 0 40 FDAB COc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1OC 22266967 DEWAPJJPUGTNIM-OAHLLOKOSA-N 351.366 1.701 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 3212723 UYPPBQHGIGTHJS-UHFFFAOYSA-N 367.471 1.055 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nnc(C2CC2)s1 21293196 FYEQFNDZHUHEPU-UHFFFAOYSA-N 354.413 1.324 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(NN)n2Cc1c(Cl)cccc1Cl 62720519 HPVOYPTXKYFUIS-UHFFFAOYSA-N 355.185 1.064 0 40 FDAB O=C1NCCN(S(=O)(=O)c2cccc3nsnc23)[C@H]1c1ccccc1 58195206 HSALWUUORIBZSD-HNNXBMFYSA-N 374.447 1.553 0 40 FDAB CC[C@H](C)C(=O)NCC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 58197911 UKBOMFUJEFVHAK-INIZCTEOSA-N 373.497 1.797 0 40 FDAB COC(=O)CCN(CC(=O)NCc1ccc(OC)c(OC)c1)CC(C)C 58226905 UBRWBSZWOJLWKG-UHFFFAOYSA-N 366.458 1.841 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 58268527 SQACMUWAVZBSBO-UHFFFAOYSA-N 371.484 1.871 0 40 FDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 58394290 IDOKHBKCIXYION-GOEBONIOSA-N 371.445 1.285 0 40 FDAB COc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(OC)c1OC 28013682 HEFDYAOBRHUFEJ-CQSZACIVSA-N 366.458 1.799 0 40 FDAB CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)NCCO)=NC1=O 13682672 LRNQTMDIBOTLPU-LJQANCHMSA-N 354.410 1.248 0 40 FDAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(F)c(Cl)c1 13729797 NTECPYRDLJVVHA-LBPRGKRZSA-N 354.769 1.835 0 40 FDAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1F 14084790 HIRWKODIAABAGI-UHFFFAOYSA-N 374.416 1.934 0 40 FDAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2c1 408596404 YWWWFFPYFXOJMM-RIYZIHGNSA-N 356.334 1.834 0 40 FDAB COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 6457620 VJLSBLKTMJLFCE-MRXNPFEDSA-N 371.345 1.335 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3=O)c2)C1 6528709 YOAPLNIDMJBXKS-SWLSCSKDSA-N 366.439 1.153 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cccc(N(C)C)c2)c(=O)[nH]c1=O 8724791 AHMAMZSRNQOQNK-UHFFFAOYSA-N 359.430 1.262 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9059893 GLMPLHIYDWMCCP-LBPRGKRZSA-N 371.832 1.934 0 40 FDAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C(C)=O)ccc1OC 22863847 JYPBJOWIVVJGAF-SFHVURJKSA-N 361.486 1.583 0 40 FDAB COc1ccccc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1nccn1C 71811427 KJTUAISRYGEWNJ-INIZCTEOSA-N 358.442 1.797 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1cccc(F)c1 95381671 OLZDAXZAATXZJE-UHFFFAOYSA-N 362.449 1.394 0 40 FDAB CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)NCC(=O)N1CCCC1 88562533 YAQQGOXZNATDQI-QGZVFWFLSA-N 358.486 1.456 0 40 FDAB O=C(NCCN1CCOCC1)N(CCCO)[C@H]1CCCc2ccccc21 79062938 ZZGXKLMNFXVGEO-IBGZPJMESA-N 361.486 1.790 0 40 FDAB CN(C)c1ncnc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1N 75103619 NGJLJFPAKDQDDX-HNNXBMFYSA-N 360.437 1.749 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)cc1 408596407 UUKZNIQSQYBKJU-OLZOCXBDSA-N 358.460 1.293 0 40 FDAB CCO[C@@H]1C[C@](CO)(NC(=O)CN2C(=O)CCc3ccccc32)C1(C)C 547737274 RYFNCYLDZPGHEE-OXQOHEQNSA-N 360.454 1.648 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccnn1C 548021917 NBDRARCBRLNCCX-STQMWFEESA-N 350.398 1.759 0 40 FDAB O=C1N(Cc2ccccn2)C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN12 77266191 IIFKXJHTTZKSTA-INIZCTEOSA-N 372.450 1.392 0 40 FDAB biogenic,in-vitro Cc1ncc(CNC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)c(N)n1 563196982 YYIYKNWFVUDSNN-AWEZNQCLSA-N 363.425 1.505 0 40 FDAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225878934 PDQSSDNKTNNALG-UHFFFAOYSA-N 363.472 1.171 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96100159 XYIXBZGNAFOQQS-NRFANRHFSA-N 371.481 1.892 0 40 FDAB CN(CC(=O)N1CCC[C@H]1COc1ccccc1)[C@H]1CCS(=O)(=O)C1 333048803 GFZGDOVLJRWGTO-HOTGVXAUSA-N 366.483 1.175 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044405 KGDXQWCBIBAVKY-KRWDZBQOSA-N 358.442 1.692 0 40 FDAB Cn1cc(CN2CC[C@]3(CCCN(C(=O)Cc4cccnc4)C3)C2)cn1 96158213 KNUZQLPPROIOTR-HXUWFJFHSA-N 353.470 1.872 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)NCCCn2ccnc2)[C@H]1c1ccc(F)cc1 96181792 BRWSHDWQBOJJBG-IAGOWNOFSA-N 360.389 1.127 0 40 FDAB Cn1cccc1CN1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2 96159102 IDRZHUNAPXOQEQ-UHFFFAOYSA-N 354.454 1.814 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cccnc1)C2 96230493 MEBDTNFLIIQTAX-IBGZPJMESA-N 351.410 1.040 0 40 FDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 96043089 RAMIGVJINLBHHA-JCGIZDLHSA-N 356.426 1.674 0 40 FDAB COCCC(=O)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244242 ZCODSMFYHXKKHV-LJQANCHMSA-N 372.425 1.719 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247812093 DEMHUKMHXJZWEC-SFHVURJKSA-N 365.437 1.751 0 40 FDAB Cc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c(O)n1 257302950 SFCQORLAZQJVFS-INIZCTEOSA-N 355.385 1.404 0 40 FDAB Cn1cc(NC(=O)CN2CCC[C@](O)(COc3ccc(F)cc3)C2)cn1 257310549 UFOLITVJGYWMEE-GOSISDBHSA-N 362.405 1.404 0 40 FDAB COCC(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 257340364 ZFRSXUYHRCBBSA-HNNXBMFYSA-N 374.485 1.657 0 40 FDAB Cc1noc(C)c1CC(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257332473 XXLIYBLVXXDPOA-UHFFFAOYSA-N 357.458 1.825 0 40 FDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)n1 257296837 REOFFCGLXKARKR-INIZCTEOSA-N 359.430 1.684 0 40 FDAB C[C@@]1(O)CCN(C(=O)c2cnn3cccnc23)C[C@H]1Oc1ccccc1 257279429 OGNZBOQPKPCWDL-VQIMIIECSA-N 352.394 1.774 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3cccc(F)c3)c2)CCO1 257206873 BFGQXYACBINISD-IBGZPJMESA-N 357.385 1.528 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@H](c3cncc(-c4cncn4C)n3)C2)n1 257248980 JGCRRQCJYBPKGA-CYBMUJFWSA-N 351.414 1.630 0 40 FDAB CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCC(COC)CC2)c1 264807914 GACLLUUHLUVZHV-ZDUSSCGKSA-N 369.487 1.724 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)C2 624004734 RTDFMBUGYNWWQE-WFASDCNBSA-N 367.471 1.438 0 40 FDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC[C@@H]1C(=O)O 659224116 OIRZDFJGCRILON-HIFRSBDPSA-N 351.447 1.483 0 40 FDAB COCCn1ccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)n1 1775958088 CCNPXWPGEMZFHS-LSDHHAIUSA-N 351.403 1.014 0 40 FDAB Cn1ncc(I)c1C(=O)Nc1nnc2n1CCCC2 293526770 QVBBGHGPQUCDTO-UHFFFAOYSA-N 372.170 1.205 0 40 FDAB O=C(c1ccnc(F)c1)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107804 BSBCANIYTDMKGC-HOTGVXAUSA-N 354.385 1.736 0 40 FDAB O=C(c1ccncn1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093107 CMATWGFYDCKHTA-INIZCTEOSA-N 350.369 1.587 0 40 FDAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cnc(C4CCNCC4)[nH]3)C2)no1 685941952 JZDSNJQWSSOASK-ZDUSSCGKSA-N 358.446 1.663 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(N[C@H](C)C(=O)N3CCNC3=O)c2)n1 56177173 VDTYLJCZMLJLIU-LLVKDONJSA-N 355.398 1.352 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 58647969 SUGBLVWLJSEDNC-AWEZNQCLSA-N 356.378 1.567 0 40 FDAB O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2ccnc2)[C@H]1O 952844637 DHTFEEBSJJSJCN-ARILJUKYSA-N 364.789 1.384 0 40 FDAB biogenic,in-vitro CN(CC(=O)N[C@H]1CCC[C@H]1CO)S(=O)(=O)c1ccc(Cl)cc1 107155169 CEFJNHAPOHNSTG-FZMZJTMJSA-N 360.863 1.238 0 40 FDAB CSCC[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2[nH]1 38140711 VIHIBHMLHUIUBR-CYBMUJFWSA-N 357.439 1.881 0 40 FDAB CC(C)c1cc(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)cn1 38509982 VWXCOLHJJZMEIA-UHFFFAOYSA-N 354.454 1.711 0 40 FDAB C[C@H]1NC(C(=O)NC(C)(C)[C@@H]2CCCCO2)=NN(c2ccccc2)C1=O 1643926787 MYGCVLCXRJYBHC-HIFRSBDPSA-N 358.442 1.789 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 12142577 AZZZRODOKPTVAN-PBHICJAKSA-N 368.441 1.188 0 40 FDAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)ccc21 12220613 ZCYJWPXMKMWCCW-LLVKDONJSA-N 367.427 1.061 0 40 FDAB C[C@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19457550 ZOVFVUYECUMXPQ-OAHLLOKOSA-N 368.485 1.703 0 40 FDAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)C(C)(C)n3cncn3)cc2)C1=O 19460154 OMYSZMMCFOBTIX-UHFFFAOYSA-N 370.413 1.482 0 40 FDAB CCC(=O)N1CCC(N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)CC1 19699526 AEWLSOAYTIKOGY-UHFFFAOYSA-N 350.463 1.182 0 40 FDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)c1c2c(nn1C)CCCC2 19745836 JNAIZMCSNIHYGN-AWEZNQCLSA-N 362.474 1.446 0 40 FDAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(-n2cnnn2)cc1 3568291 FMFKNGXAUXEYLD-UHFFFAOYSA-N 364.365 1.552 0 40 FDAB CN1Cc2ncc(-c3ccccc3)n2C[C@@]12CCN(C(=O)C1CC(O)C1)C2 1565550144 RCMZENLVEGBDQC-BPZDKFOGSA-N 366.465 1.738 0 40 FDAB COc1ccc(CN2C(=O)CCC23CCN(C(=O)C2CC(O)C2)CC3)cc1 1565545949 SGYVWVUXDATUMG-UHFFFAOYSA-N 372.465 1.950 0 40 FDAB O=C(c1cnn2ccccc12)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565556784 VTBJABPQZOGNMQ-QFBILLFUSA-N 366.421 1.900 0 40 FDAB O=C(NCCS(=O)(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 4941027 BMTWOWSYQIIORP-UHFFFAOYSA-N 354.428 1.351 0 40 FDAB CCCN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21 11613016 FZFFALPIPBKSAT-SFHVURJKSA-N 373.497 1.803 0 40 FDAB O=C(c1cccnc1)N1CCO[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 2055796003 IWGJOUPNYBNUMY-KRWDZBQOSA-N 365.380 1.570 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750700 QZXAYYHBUZIMEZ-AEFFLSMTSA-N 354.410 1.672 0 40 FDAB COc1cc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2cc1OC 35423815 VXRXFNSJKQOOKY-UHFFFAOYSA-N 356.382 1.421 0 40 FDAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCCN2C(=O)COC2=O)CC1 575615284 CYDOCPPZBXRLQQ-UHFFFAOYSA-N 369.418 1.119 0 40 FDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)c1cccc(F)c1 19293600 VNGXONGQHVWXKV-CYBMUJFWSA-N 354.389 1.472 0 40 FDAB Cc1nn(C)c(Cl)c1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40117774 KQEKLGOTLNGSQW-INIZCTEOSA-N 361.789 1.689 0 40 FDAB Cn1ncc2c(NCCCO)nc(N3CCN(c4ccccc4)CC3)nc21 20720235 BAZUZAFRTPNXQY-UHFFFAOYSA-N 367.457 1.484 0 40 FDAB CCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 32235440 DOJMFFLLSZKIQE-UHFFFAOYSA-N 369.469 1.669 0 40 FDAB O=C(NCCCN1CCCC1=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 32645281 ZYZIVJCLOJBVSM-KRWDZBQOSA-N 357.454 1.206 0 40 FDAB O=C1COc2ccc(N[C@H]3CC(=O)N(CCc4ccccc4)C3=O)cc2N1 32771773 UXPISTLXVAFGGS-INIZCTEOSA-N 365.389 1.800 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2F)NC(=O)N[C@@]1(O)C(F)(F)F 106213327 OTMQGFFEGSSDDZ-CWSCBRNRSA-N 350.268 1.610 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)NCc3cccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11851683 RLNWDZPIVGNOKU-MCZMQQNQSA-N 369.439 1.761 0 40 FDAB C[C@H]1CN(c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cn2)C[C@@H](C)O1 32930013 MCVSILUMUOQNPO-OKILXGFUSA-N 366.421 1.747 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)/N=c1/sccn1C 102758281 KKVQZGPFWWJVKM-HRYUNSTCSA-N 359.860 1.534 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1ccco1 9515186 XJOPBKKXXMAHTI-UHFFFAOYSA-N 373.228 1.637 0 40 FDAB O=c1c2ccccc2nnn1CSc1n[nH]c(=O)n1Cc1ccccc1 9780458 COPYLLRZTGDUEO-UHFFFAOYSA-N 366.406 1.474 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(NC(C)=O)cc1 9953042 WEGLZDISZXOYQK-HNNXBMFYSA-N 363.439 1.627 0 40 FDAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 670706 PVGMHTSCZIEKPR-UHFFFAOYSA-N 354.428 1.753 0 40 FDAB O=C(Cc1c[nH]c2ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23702505 FODRIUHGWPLIFX-HNNXBMFYSA-N 361.467 1.042 0 40 FDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1 51357049 BSSDIPWHPQCUCT-UHFFFAOYSA-N 357.362 1.955 0 40 FDAB O=C(NS(=O)(=O)N1CCCc2ccccc21)c1n[nH]c2c1CCCC2 105766704 FCCHSNDDHFXGLT-UHFFFAOYSA-N 360.439 1.716 0 40 FDAB Cc1ccccc1C(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108529688 CKCDHGVJVGTWLQ-OAHLLOKOSA-N 366.483 1.698 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 21702813 LLQNDYCMAKYROT-MRXNPFEDSA-N 364.379 1.455 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H](c1ccco1)N1CCCC1 12594087 UNKUILOCFNMVTN-QGZVFWFLSA-N 366.421 1.943 0 40 FDAB CCOc1ccc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)cc1OC 57246960 ILFPFFJKQLZUNS-UHFFFAOYSA-N 370.413 1.513 0 40 FDAB Cc1nnc(SCC(=O)N[C@@H]2CCCCNC2=O)n1Cc1ccccc1 47972311 VNSCARUAFORKBR-OAHLLOKOSA-N 373.482 1.512 0 40 FDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 27394337 ZLJNNGKUFQCIFM-HIFRSBDPSA-N 372.874 1.788 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O 10030024 AYTMDBMHPNEHEM-LBPRGKRZSA-N 374.418 1.843 0 40 FDAB CS(=O)(=O)CCN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 58168599 VHRJISGNEYYAEZ-IBGZPJMESA-N 372.446 1.721 0 40 FDAB CS(=O)(=O)N1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 58179178 CLESMMSBNFOSBF-UHFFFAOYSA-N 361.467 1.738 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O 44841102 BWESZSKNIUJPJY-UHFFFAOYSA-N 359.426 1.212 0 40 FDAB CC(=O)NCCNC(=O)CN(C)Cc1cc(Br)ccc1F 58277443 IGRVBJRKYUPREJ-UHFFFAOYSA-N 360.227 1.272 0 40 FDAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 58223365 UBPHNNUMPJZFHP-CQSZACIVSA-N 352.479 1.335 0 40 FDAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccccc1F 12781308 NZTAPHLHQFJOOD-UHFFFAOYSA-N 358.421 1.950 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3430141 FGVSNTMPUUFYNA-SFHVURJKSA-N 359.382 1.241 0 40 FDAB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C 67665034 BMZHNHHJUGMMLV-XIRDDKMYSA-N 358.438 1.773 0 40 FDAB in-vitro COc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 12910476 AZOATIOKGXIDBY-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 12926094 INWIDYTWXGPREA-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB Cn1nc(N2CCC(c3nc4ccccc4s3)CC2)c(=O)n(C)c1=O 8761951 YZYSXAWUPPGZEJ-UHFFFAOYSA-N 357.439 1.473 0 40 FDAB CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 8507070 AMADZIRPGWIELN-LLVKDONJSA-N 365.238 1.849 0 40 FDAB O=C(CSC1=Nc2ccccc2CS1)N[C@H]1CCS(=O)(=O)C1 5325308 GCFJPRQHJFYLIA-NSHDSACASA-N 356.494 1.957 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 5348903 XWLQFAKSDIEBEW-DUBGADTFSA-N 371.412 1.851 0 40 FDAB CN(CC(=O)N(CCC(N)=O)c1ccccc1)Cc1ccc2c(c1)OCO2 14140708 BPMGMHHJFCLIJA-UHFFFAOYSA-N 369.421 1.756 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nncn2-n2cccc2)cc1 4518474 CBMMAYAKHDWHQM-UHFFFAOYSA-N 357.395 1.908 0 40 FDAB COc1ccc2c(C)c(CC(=O)N3CCC[C@@H](C(=O)O)C3)c(=O)oc2c1 6624273 BIGMPAHMSGWCRE-GFCCVEGCSA-N 359.378 1.976 0 40 FDAB biogenic O=C(CSc1nncs1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6847077 LJWDXKMDHYZTAT-NSHDSACASA-N 361.514 1.589 0 40 FDAB COc1ccccc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7035087 VKKWQMBOPTZRGM-LBPRGKRZSA-N 356.378 1.907 0 40 FDAB COCc1nnc(NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)s1 71280529 LXLLQOKHDDABPQ-UHFFFAOYSA-N 351.413 1.852 0 40 FDAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncnc2[nH]cnc12 72039271 ZLYRHAHBXKNPPI-UHFFFAOYSA-N 361.427 1.662 0 40 FDAB C[C@@H](NC(=O)CN1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 89905605 DBHJOSDZLSXMLT-MJGOQNOKSA-N 361.486 1.287 0 40 FDAB COc1ccc(Cl)cc1CN1CCN(CC(=O)N2CCOCC2)CC1 72284553 MDUQSUIYISDOFB-UHFFFAOYSA-N 367.877 1.325 0 40 FDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC(CS(N)(=O)=O)CC2)n1 78650541 VYDXJCWILBRJSZ-UHFFFAOYSA-N 367.397 1.066 0 40 FDAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1C(=O)NCCO 78803133 MAFVHXKEYQCGPI-UHFFFAOYSA-N 355.394 1.662 0 40 FDAB COc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)cc1OC 95474898 MLKMONYSGGAAQD-NSHDSACASA-N 365.411 1.011 0 40 FDAB C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1Cl 95461388 IJIIYPCKZFLJQX-SECBINFHSA-N 351.765 1.994 0 40 FDAB O=C(NCc1cccnc1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 79101229 VRMGOAJSBHJLMH-GOSISDBHSA-N 352.438 1.972 0 40 FDAB Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cnc3n2CCC3)nn1 95946303 PIKVPONDTPVZBJ-UHFFFAOYSA-N 359.415 1.223 0 40 FDAB Cn1cnnc1CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999692 OMCMLSTTZVRDQW-KRWDZBQOSA-N 354.458 1.128 0 40 FDAB Cc1nc(C(=O)NCC[C@@H]2CN(c3ncccn3)Cc3ccnn32)cs1 306136651 PZGLQPBTYWPPOB-CYBMUJFWSA-N 369.454 1.819 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN([C@@H](C(N)=O)c2ccccc2)C1 548009175 YBHQCFRPZLGBMO-CRAIPNDOSA-N 358.467 1.715 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 36619102 OTSOYCSKPCEODX-CQSZACIVSA-N 366.425 1.852 0 40 FDAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccsc1 70933185 REGRFVVWOBESHL-UHFFFAOYSA-N 365.480 1.974 0 40 FDAB CC(C)c1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n(-c2ncccn2)n1 518190808 OEJBCPGMQSODIG-LBPRGKRZSA-N 354.414 1.735 0 40 FDAB COc1ccccc1OCc1cn(CC(=O)NCCc2ccco2)nn1 227161313 ZVIOXXNXQXJVRR-UHFFFAOYSA-N 356.382 1.818 0 40 FDAB COC[C@H](C)NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225742525 IBEQBLBOJJZVRK-JTQLQIEISA-N 353.216 1.915 0 40 FDAB CN(C)C1(CNc2ccc(S(N)(=O)=O)cc2C(=O)O)CCCCC1 570047971 BWVWGNHTNMPSFE-UHFFFAOYSA-N 355.460 1.709 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCCC3)[nH]c2=O)N1 40285060 VXYIDBGPZUQEMJ-SNVBAGLBSA-N 371.372 1.574 0 40 FDAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)CC1 223771419 WAJQNIJCYMXOJN-UHFFFAOYSA-N 371.528 1.193 0 40 FDAB CN(C)CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 96231975 YNAKYIYJCOFHKC-AWEZNQCLSA-N 366.849 1.218 0 40 FDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4ccccn4)O[C@@H]3C2)no1 96042847 RAMIGVJINLBHHA-BMGDILEWSA-N 356.426 1.674 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1ccccn1)C2 96060776 NPNNBZACARLEAY-OAHLLOKOSA-N 350.426 1.921 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(Cc4ccc(C)o4)C3)C2)cn1 96225940 KNWLGUNMARWALJ-IBGZPJMESA-N 369.425 1.724 0 40 FDAB CN(C)S(=O)(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 247978635 WWYCSRLLPVQFAM-AWEZNQCLSA-N 355.460 1.138 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 247360677 ZIFAIFAQKNMFGL-CQSZACIVSA-N 350.444 1.505 0 40 FDAB COCCN1C[C@@H](COC)C2(CCN(c3cc(OC)ncn3)CC2)C1 247829289 HAFFFRNGUAYNTO-HNNXBMFYSA-N 350.463 1.296 0 40 FDAB CCOc1nccc(C)c1C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 583487152 ZEQFFYHTRBJXJO-UHFFFAOYSA-N 352.456 1.972 0 40 FDAB CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2cccs2)CC3)CC1 583615391 KPTOFGXEUOHZTN-HNNXBMFYSA-N 373.526 1.684 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 257230330 GBTRMHXNUCBMHY-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)NCc1ccco1 253398218 GSQLRUOYTALBJV-LJQANCHMSA-N 358.394 1.245 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)n1 257246717 IVMIODFENAOAFO-INIZCTEOSA-N 356.430 1.867 0 40 FDAB CC(C)(C)C(=O)N1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604381747 MOBMZPKVFBHYSL-GOSISDBHSA-N 357.498 1.830 0 40 FDAB biogenic,in-vitro COc1cccc(Cc2cncc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 257226802 FMFYTFJOQAOWBL-MRXNPFEDSA-N 360.435 1.598 0 40 FDAB CNC(=O)[C@@H]1CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257200113 ACAYREWRXYIBND-MRXNPFEDSA-N 352.438 1.806 0 40 FDAB O=C(CCC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)c1cccs1 671585113 BUOYHFWLSYLAEI-OLZOCXBDSA-N 368.430 1.509 0 40 FDAB O=C(NCC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn21)c1cnccn1 585111816 CFNDICRFIZEIJY-CQSZACIVSA-N 369.429 1.066 0 40 FDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 585101042 YSALHXUXXUFUSM-INIZCTEOSA-N 363.433 1.686 0 40 FDAB CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)cc1 48984975 VDLWHKGBNCUORK-ZDUSSCGKSA-N 373.409 1.919 0 40 FDAB CC(C)N1CC[C@H](N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1=O 674345780 OOSCNWBVULOCEG-AWEZNQCLSA-N 371.441 1.025 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H](C)n3cncn3)nn2c1O 12276326 NPCQZENWSFRBRE-WFASDCNBSA-N 369.429 1.822 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2cn(C)nc2C)n1 12366062 NFDWVIBFVFBBDG-JJTKIYQPSA-N 357.458 1.152 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 17170118 LBAWQSIUIARACP-UHFFFAOYSA-N 369.421 1.956 0 40 FDAB COc1ccc(N2C(=O)[C@@H]3ON=C(C(=O)c4ccccc4)[C@H]3C2=O)cc1 18087571 OPOZTSJIWVLSJW-RHSMWYFYSA-N 350.330 1.822 0 40 FDAB biogenic COc1ccccc1CNC(=O)CN1C(=O)[C@@H]2CCCN2c2ncccc21 19570789 AYZJHACSVILFOL-INIZCTEOSA-N 366.421 1.722 0 40 FDAB CCO[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 612030729 QTBAAMLFKVERJP-JSGCOSHPSA-N 372.874 1.598 0 40 FDAB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 16937720 AANCODHWXUEZLW-QKNMJKLUSA-N 367.404 1.824 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NC[C@H](O)Cc1ccccc1)C(=O)C2 151300602 PKPXEBXJTKWLNA-FRQCXROJSA-N 365.495 1.905 0 40 FDAB O=C1[C@H]2CN(c3ncnc4cnccc34)C[C@@H]2C(=O)N1Cc1ccccc1 1888890859 KMDMUHSSTABYIM-HOTGVXAUSA-N 359.389 1.646 0 40 FDAB Cc1nc(N2CCN(c3ccc(N(C)C)nn3)CC2)c2ccncc2n1 1889148959 BWYDXOUCCYHFLK-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)Cc1ccc(F)cn1)C2 1565549197 RINDTPAKSQTPSB-CYBMUJFWSA-N 359.405 1.444 0 40 FDAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(N2C(=O)CCC2=O)cc1 4263870 MUAKQCDFJCWOOK-UHFFFAOYSA-N 363.329 1.476 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21 4338391 AGLIYPCDJKUNQG-UHFFFAOYSA-N 362.349 1.278 0 40 FDAB CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)CC1 4712016 XQTAEJPWDTZQBY-UHFFFAOYSA-N 373.563 1.676 0 40 FDAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)C2CC2)c1=O 12072074 NPQYOXOWEWNVJR-UHFFFAOYSA-N 351.410 1.476 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]c3)CC2)[C@@]2(CCNC2=O)C1 2055806565 JLKHPNOMESWJPQ-FQEVSTJZSA-N 358.486 1.715 0 40 FDAB Nc1nc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc(Nc2ccccc2)n1 100748028 USZISIUFCLQOTM-BETUJISGSA-N 350.382 1.649 0 40 FDAB CCOC(=O)[C@H]1CCCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 28940841 SWKUTJZFYBCQAT-FVRSWCFKSA-N 351.447 1.720 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)COc2ccc3ccccc3c2)CC1 11449465 SKTYOXPQPZVPOL-UHFFFAOYSA-N 362.451 1.759 0 40 FDAB O=C(O)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1N1CCOCC1 785058 GAFLASPBSWJQRD-ZIAGYGMSSA-N 374.393 1.827 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c1 812562 SMGGMJLZJMWZDS-SFHVURJKSA-N 374.418 1.861 0 40 FDAB C[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 80350235 OFVQYTCONPQTTR-GFCCVEGCSA-N 351.362 1.653 0 40 FDAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237248 LLCMBCSDYFKDCN-UONOGXRCSA-N 374.466 1.464 0 40 FDAB biogenic,in-vitro C[C@@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 7605803 DFHZWJXKPDJYQC-ZDUSSCGKSA-N 358.419 1.751 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 32777767 LBEQJKCLDHQACQ-UTUOFQBUSA-N 373.500 1.759 0 40 FDAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)O)cc32)n1 101945727 TWSPEMHIEXLCDH-LBPRGKRZSA-N 350.400 1.469 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 32914967 HOKSYFGUYMDWQA-GHMZBOCLSA-N 362.398 1.134 0 40 FDAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 17271584 XNYPXCIUTASKJO-UHFFFAOYSA-N 352.398 1.847 0 40 FDAB CCCOc1cc(C)ccc1NC(=O)NC[C@H](O)CN1CCOCC1 89960269 NCPBCSOLAIBDDF-HNNXBMFYSA-N 351.447 1.598 0 40 FDAB Cc1c(C)c(C(=O)N2CCOCC2)c(C)c(C)c1C(=O)N1CCOCC1 59461462 MNPXGHXSMLFVJE-UHFFFAOYSA-N 360.454 1.865 0 40 FDAB C/C=C1/CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@@H]1O 100765588 RLUORQGMBKDXPO-FLLZMDKRSA-N 352.434 1.675 0 40 FDAB biogenic,in-man COC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1247587 JZFZKOAZAIJOHW-AWEZNQCLSA-N 356.165 1.518 0 40 FDAB O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCCO2 24716509 AWAZPNOUNHRZSI-UHFFFAOYSA-N 369.425 1.399 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)c1 25026194 OMTDNWVVDPNKBK-UHFFFAOYSA-N 359.451 1.791 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C[C@H](C(=O)OC)[C@H](O)c2ccncc2)C1 34857479 LWELLZIVNOSXIC-OWCLPIDISA-N 350.415 1.179 0 40 FDAB CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1cc(OC)ccc1OC 27914307 DJTOESYTKFXVJC-UHFFFAOYSA-N 368.411 1.234 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 107237918 WKUOXJUEHWYCLQ-AWEZNQCLSA-N 352.818 1.101 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)N2CCN(c3cnccn3)CC2)cc1 43754448 XDHJUFYIQAWSCT-INIZCTEOSA-N 369.469 1.355 0 40 FDAB CC[C@@](C)(CNC(=O)Nc1cccc(-c2nnnn2C)c1)N1CCOCC1 43935052 WEVOOHRNFMXIFK-SFHVURJKSA-N 373.461 1.500 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26539551 YMLPJCCZPNGPMJ-UHFFFAOYSA-N 357.410 1.907 0 40 FDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 12650937 LPHFWXGCKPTPQU-UHFFFAOYSA-N 363.277 1.986 0 40 FDAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58195535 FKMPALGCHJPHSH-UHFFFAOYSA-N 364.471 1.832 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7577100 QBXGBUITMBYUNG-UHFFFAOYSA-N 356.404 1.802 0 40 FDAB Cc1cc(C(=O)NC2CCN(CC(=O)NCc3ccccc3F)CC2)no1 58295774 PQOFSDUTYLNELC-UHFFFAOYSA-N 374.416 1.633 0 40 FDAB O=C1CN(c2ccc(NC(=O)c3ccc4nncn4c3)cc2Cl)CCN1 58215248 ZJVXFBFEXCFFQA-UHFFFAOYSA-N 370.800 1.571 0 40 FDAB COc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 12926526 RRWGJTJDWKLZTI-UHFFFAOYSA-N 367.449 1.769 0 40 FDAB CCCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]c1=O 13074451 UCPKEEHGOAAENQ-QWRGUYRKSA-N 355.464 1.478 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)no1 13148546 OOXNRHZZPBFGQS-RYUDHWBXSA-N 363.370 1.030 0 40 FDAB CC(C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 8599145 LDTWFHIEGVRWSF-UHFFFAOYSA-N 355.442 1.095 0 40 FDAB O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1[C@H]1NCCc2ccccc21 5069279 ZSJYEYLPTLDJBW-INIZCTEOSA-N 353.353 1.606 0 40 FDAB COc1ccccc1CNC(=O)Cn1c(NCCO)nc2ccccc21 5185009 OKEHAUMMZFNKFV-UHFFFAOYSA-N 354.410 1.766 0 40 FDAB CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(C)C 8088256 MQMHWWZEQLCRJS-MRXNPFEDSA-N 369.487 1.815 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(F)cc1 4414396 IGXOTILPPXMFIA-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB COC(=O)CNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4738914 BIEVOUGEHOYWNJ-UHFFFAOYSA-N 356.378 1.657 0 40 FDAB COCCCNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 6756005 AHHPTHCRJFHZHL-UHFFFAOYSA-N 354.428 1.505 0 40 FDAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 6781583 LCWQXLQSBADPGC-UHFFFAOYSA-N 364.427 1.002 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3CC(C)=O)CC2=O)cc1 96011966 SISHUIFBFZHPRB-SJLPKXTDSA-N 358.438 1.808 0 40 FDAB CN(C)CCNC(=O)CNC(=O)c1ccc2noc(-c3ccccc3)c2c1 9476568 PNUNHKMEYMGZHG-UHFFFAOYSA-N 366.421 1.902 0 40 FDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1cnn(Cc2ccccc2)c1 97013307 XMITUVUOFCEXNB-HNNXBMFYSA-N 358.427 1.336 0 40 FDAB NC(=O)[C@H](CNC(=O)c1noc(-c2cccnc2)n1)Cc1ccc(F)cc1 72314103 TYSBTOSCAOSLHI-ZDUSSCGKSA-N 369.356 1.345 0 40 FDAB O=C(NC1CC1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 9949960 INHCAGQDJZMXBM-UHFFFAOYSA-N 374.418 1.786 0 40 FDAB CCS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2C)CC1 36611239 KZTOPEIMXHLCRO-UHFFFAOYSA-N 359.879 1.554 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 124848817 TTYXYXUTLKDTET-LBPRGKRZSA-N 370.862 1.410 0 40 FDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(N)=S 218150765 WTFDHZCCNLRELE-KCQAQPDRSA-N 357.453 1.235 0 40 FDAB COCCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217598908 BVAMSMYGJSJGBG-UHFFFAOYSA-N 374.459 1.537 0 40 FDAB CC(C)Cn1c(=O)n(C)c(=O)c2nc(CN(C)C(=O)OC(C)(C)C)[nH]c21 526059752 IRFMUOQOFHOWLO-UHFFFAOYSA-N 365.434 1.446 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 32914139 KXLBUKJUZBNJEN-UHFFFAOYSA-N 359.386 1.365 0 40 FDAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 188938613 FWMUVPNIKYAQSD-UONOGXRCSA-N 354.410 1.943 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968793 ADSFDZKVNLECDK-OAQYLSRUSA-N 368.433 1.725 0 40 FDAB COC[C@@H](Cc1ccccc1)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 563639787 FBWBWDRCUQXFLS-YQVWRLOYSA-N 356.470 1.787 0 40 FDAB Cc1nc2c(n1CCO)CC[C@@H](NC[C@@H](O)COCc1cccs1)C2 567270600 GJAKBUNWLVIEMC-HUUCEWRRSA-N 365.499 1.270 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2Cl)CC1 43941828 YFMJPIUHSGVKIY-UHFFFAOYSA-N 353.806 1.873 0 40 FDAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1ccccc1 514288828 CATFJBCNEQGTMT-JENIJYKNSA-N 363.458 1.435 0 40 FDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCCn2cnnc2C2CC2)cc1C(=O)O 571400535 QLWWBGHYCIDGAF-UHFFFAOYSA-N 350.400 1.141 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NCCc2ccc(OC)cc2)ccc1O 40286517 SAECWAAEQNPFRQ-UHFFFAOYSA-N 372.377 1.485 0 40 FDAB Cc1nc2ccccn2c1-c1nnc2sc(CN3CCOCC3)nn12 227144014 KIQFWFXSCZGILO-UHFFFAOYSA-N 355.427 1.641 0 40 FDAB O=C(Nc1cn(Cc2ccccc2)nn1)c1cn([C@@H]2CCCNC2)nn1 581067370 HZTNGVYKVOXMOD-CQSZACIVSA-N 352.402 1.095 0 40 FDAB CN(C)S(=O)(=O)N1CCC2(CC1)CN(CCF)Cc1ccccc12 96079604 XXNJGHPSDUFQES-UHFFFAOYSA-N 355.479 1.612 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(c3nc(C)cc(C)n3)CC2)cn1 257323889 WMGRSZHIGQVKGQ-UHFFFAOYSA-N 354.458 1.979 0 40 FDAB COCc1ccc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cc1 257304655 SMOIQHKZAOMSJK-LJQANCHMSA-N 356.426 1.384 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccc(OCC(F)(F)F)n1 616772509 XDYUNCQCAHRIEG-DMDPSCGWSA-N 356.304 1.324 0 40 FDAB O=C(CCn1c(=O)nc(O)c2ccccc21)N1CCO[C@@H](C(F)F)CC1 634157031 PNHMFPYVLAKMNM-CYBMUJFWSA-N 367.352 1.375 0 40 FDAB COc1cc(N2CCN(C(=O)Nc3cnn4ccccc34)CC2)ncn1 640366346 QBJKHJYIQCPZAF-UHFFFAOYSA-N 353.386 1.487 0 40 FDAB NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(c3ccccc3C(=O)O)CC2)C1 666550785 MMTSENVVVIVTLP-KGLIPLIRSA-N 359.426 1.928 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc32)CCO1 681941323 BYUDRLACIQANQP-IAGOWNOFSA-N 374.437 1.267 0 40 FDAB CN1C[C@H](COCc2ccccn2)CC12CN(C(=O)CC1(O)CCC1)C2 585093977 VQKGKYLWPKPKEF-MRXNPFEDSA-N 359.470 1.436 0 40 FDAB CCOc1cccc(C(=O)N2CCO[C@](COC)(CC(=O)NC)C2)c1 585277176 GOZKIVAVGFYCQI-GOSISDBHSA-N 350.415 1.079 0 40 FDAB O=C(NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCC1 585112796 WPWMIJJPGCDQSE-QGZVFWFLSA-N 361.490 1.862 0 40 FDAB CN1Cc2cccc(-c3cnc4n3CCN(C(=O)[C@H]3CCOC3)CC4)c2C1 585111082 CVLBUCOGHGEJOM-INIZCTEOSA-N 366.465 1.917 0 40 FDAB O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc(N2CCCC2=O)cc1 685942417 PSWGMGBZICVRFM-JKSUJKDBSA-N 356.382 1.113 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 5089442 JFWSQTALHVMRDB-UHFFFAOYSA-N 367.361 1.938 0 40 FDAB CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 12117380 YAFNSGRWAMGEPN-WOCWXWTJSA-N 353.422 1.199 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 13002965 WZRZGSXSNSKBTR-ZIAGYGMSSA-N 352.412 1.590 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)c2cccc3cccnc23)C2(CCNCC2)C1 19704034 CQNISMQFOXQALQ-INIZCTEOSA-N 352.438 1.708 0 40 FDAB Cc1nc(CC(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)cs1 19747444 KTXSAXDULRXAOF-UHFFFAOYSA-N 361.442 1.950 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)Cc3csc(C)n3)CC2)cn1 19749108 JTGSRRCGGFPEFZ-CQSZACIVSA-N 373.482 1.904 0 40 FDAB CNc1ncc(C(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)cn1 19749744 ZOGBSHDTISSTEN-ZDUSSCGKSA-N 374.470 1.708 0 40 FDAB CCOc1ncccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 618200897 DQOWGRSOUNKEBT-YOEHRIQHSA-N 354.410 1.825 0 40 FDAB CCCc1nc(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1-c1ccccc1F 521365988 JQYZXTDHVPFSSF-CYBMUJFWSA-N 362.361 1.285 0 40 FDAB COCc1nsc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1 1888853067 BUHGZEKGNQPJHT-UHFFFAOYSA-N 351.432 1.080 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)n(C)n1 1888888450 GFRAWJWFSVTZRV-GJZGRUSLSA-N 364.453 1.824 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c2ccncc2n1 1888890911 XFPVCTRLMPPNTB-IYBDPMFKSA-N 359.389 1.959 0 40 FDAB Cc1nc2c(c(N3CCN(c4cc(=O)n5ccccc5n4)CC3)n1)CCC2 1888897319 WKEIYNSWMICWAS-UHFFFAOYSA-N 362.437 1.608 0 40 FDAB O=C(c1cccnc1O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1147176641 MIMNKKLOLFJEGY-UHFFFAOYSA-N 367.405 1.825 0 40 FDAB Cc1nnc2c(N3CCC(n4nc5c(cc4=O)CCCC5)CC3)nccn12 1776008611 JVBXDLPAPUCWAS-UHFFFAOYSA-N 365.441 1.710 0 40 FDAB CC(=O)N1CCC(N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)CC1 2037985346 GVFVAKYWIVBQAY-OAQYLSRUSA-N 371.481 1.753 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](O)C(C)(C)N(C(C)=O)C3)CC1 2037849968 YEUITVRMCNKBAW-GOSISDBHSA-N 365.518 1.471 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc21 902481 UCSIAIKECZQWLR-UHFFFAOYSA-N 372.446 1.910 0 40 FDAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)N1CCOCC1 4356615 HKZAWBKXZAYAOM-UHFFFAOYSA-N 359.407 1.823 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(F)cc1F 4784033 JYPBNFSJNRBPRB-LBPRGKRZSA-N 365.288 1.278 0 40 FDAB CCOCC(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)NCCOC)C1 2055751423 VTRCBBIYKKCDLL-IBGZPJMESA-N 363.458 1.259 0 40 FDAB Cn1cc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)cn1 2055750952 QKGHGPBPTQVHSR-UHFFFAOYSA-N 367.453 1.739 0 40 FDAB Cc1cccc2sc(NC(=O)C(=O)NCCCN3CCOCC3)nc12 23105370 GOJFMAKUMRHKRD-UHFFFAOYSA-N 362.455 1.382 0 40 FDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)o2)n(C)n1 38488065 CCXYATZLUMKNJE-IINYFYTJSA-N 355.354 1.946 0 40 FDAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cnn(C)c3)Cc3ccccc32)cn1 575620306 SJLBREJBIDHOCN-KRWDZBQOSA-N 357.439 1.490 0 40 FDAB COc1cccc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049286 UICMZBYKNRYCPA-UHFFFAOYSA-N 368.397 1.105 0 40 FDAB CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2C1=O 24889331 QVLYYTXJRDSIDW-UHFFFAOYSA-N 367.313 1.681 0 40 FDAB NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 783802 QJZXPWFLIZWUAI-GOSISDBHSA-N 358.781 1.633 0 40 FDAB NC(=O)c1ccccc1OCC(=O)NCCc1ccc2c(c1)OCCO2 11457682 NDKKCXMMWFYMNH-UHFFFAOYSA-N 356.378 1.294 0 40 FDAB COCC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C[C@H]1CCCO1 1376774 GBFUISMDQYCNGI-MRXNPFEDSA-N 369.425 1.740 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 2731002 AWQRVDDVOPEJRR-AWEZNQCLSA-N 353.440 1.652 0 40 FDAB Cn1c(CCNC(=O)N2CCOCC2)nnc1SCc1cccnc1 4932634 HEMNSCPIIBXEAU-UHFFFAOYSA-N 362.459 1.087 0 40 FDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NC[C@@H]3CCCO3)n2)cc1 20717383 JIBDILYCKMJFQI-AWEZNQCLSA-N 360.370 1.516 0 40 FDAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6746546 OPULRSDWZHICRR-AWEZNQCLSA-N 372.462 1.769 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 7779197 VINSRJCEJHQBIR-UHFFFAOYSA-N 370.365 1.799 0 40 FDAB CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O 2632147 GVGCYHNHMKUGFB-AWEZNQCLSA-N 354.204 1.304 0 40 FDAB CN1C(=O)c2ccc(C(=O)NCC(=O)NCCc3ccccc3)cc2C1=O 58158535 CCBFEFVMHXYRLA-UHFFFAOYSA-N 365.389 1.001 0 40 FDAB Cn1nccc1/C=c1\sc2n(c1=O)[C@H]1C[C@](C)(N=2)Oc2ccccc21 102450285 ZSFIWBDBJOVWJB-ILYAJZJNSA-N 352.419 1.193 0 40 FDAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(Cc2ccncc2)CC1 47003042 YEEYMZKNDRGDCQ-QGZVFWFLSA-N 354.458 1.720 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@H]4[C@H]5[C@H]([C@H]2[C@]34c2ccccc2)[C@H]15 104284657 UOEKMKGZFBVWBA-GUTVJUKYSA-N 355.397 1.970 0 40 FDAB O=C1CN(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2N1 58127963 NCWHECFTNNNKLS-UHFFFAOYSA-N 350.422 1.794 0 40 FDAB O=C(COc1ccccc1C(=O)N1CCOCC1)NCc1cccs1 24439034 ZMRNNOKEQRMWDM-UHFFFAOYSA-N 360.435 1.916 0 40 FDAB Cc1sc(=O)n(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1C 55222480 JVQLYWLDUNYMLT-UHFFFAOYSA-N 374.422 1.217 0 40 FDAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCC(C)C 22252477 GWKXNUNASMOWEQ-UHFFFAOYSA-N 358.460 1.876 0 40 FDAB NS(=O)(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 3368769 ITFYFAHGJMMQGP-ZHACJKMWSA-N 352.437 1.424 0 40 FDAB COc1cc(NC(=O)Cn2c(-c3ccccn3)noc2=O)cc(OC)c1 58155799 SYKDLERVQWTXHW-UHFFFAOYSA-N 356.338 1.554 0 40 FDAB NC(=O)NC(=O)CCN1CCO[C@@H](c2cccc(Br)c2)C1 58186181 MWMJSNNFTXNDBT-GFCCVEGCSA-N 356.220 1.407 0 40 FDAB CCN(C(=O)/C=C/c1ccc(N2CCCC2=O)cc1)[C@H]1CC(O)=NC1=O 58186489 SXUTWFUSCNZPFI-VSGCLNPGSA-N 355.394 1.931 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 58163515 INHAATJWATZZRL-JKSUJKDBSA-N 374.485 1.559 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CCc2ccccc2Cl)CC1 58218020 YNKZMNRWRBXQKV-HNNXBMFYSA-N 370.902 1.461 0 40 FDAB COc1ccc(N2C[C@](O)(c3ccc(OC)cc3F)[N+]3=C2COCC3)cc1 26441591 YXTGSHXTXOMABM-FQEVSTJZSA-N 373.404 1.949 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCc1ccc(Cl)cc1 3543810 HQFNMHDSUJKKDE-UHFFFAOYSA-N 363.801 1.690 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996244 GSXMYUKLJBROHC-UHFFFAOYSA-N 357.410 1.758 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3ccccn3)nc21 5699246 DVTPFCYEMUPLCC-UHFFFAOYSA-N 354.366 1.734 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1C 9114791 CJQXOPQAKWHVQI-JTQLQIEISA-N 367.402 1.588 0 40 FDAB O=S(=O)(CC[C@@H]1CCCO1)NCCc1nc(-c2ccccc2)n[nH]1 97104271 WXHPTBMTXBPIQZ-AWEZNQCLSA-N 350.444 1.503 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cnn3cccnc23)o1 95479001 CSNYCCSJIRNBEE-NSHDSACASA-N 359.338 1.230 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(F)cc1Cl 75105798 ZDTQNZFJVDTIRI-VIFPVBQESA-N 351.765 1.994 0 40 FDAB Cc1ccc(NC(=O)c2ccc(-n3ccnn3)cc2)cc1S(N)(=O)=O 89651151 BXLDHNVEDVNNMT-UHFFFAOYSA-N 357.395 1.475 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)N1CCCCC1)O2 64988375 JBLSETIIDWIFMZ-INIZCTEOSA-N 352.456 1.925 0 40 FDAB CCn1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3[C@H]2C)cn1 306128840 HMICDCLYQITFQJ-OAHLLOKOSA-N 372.473 1.078 0 40 FDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1cccc(C)c1 20801350 ANIUPIGGXJOUQI-IRXDYDNUSA-N 372.469 1.339 0 40 FDAB O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1ccc2c(c1)OCO2 35485447 FXACNNANWSOHMR-HNNXBMFYSA-N 353.378 1.185 0 40 FDAB CCN(CC)C(=O)COc1ccc([C@H]2CC(=O)N=C3N=CNN32)cc1OC 409379278 WMBDXFNTLYUMIN-CYBMUJFWSA-N 373.413 1.118 0 40 FDAB CC(=O)c1cn(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)nn1 514711805 IJGTVQWAKZWVSN-RYRKJORJSA-N 354.410 1.512 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCc1ccccc1 217590067 YYGBUWHLPLEYND-UHFFFAOYSA-N 350.396 1.268 0 40 FDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217531345 WTGKKYSYUXZYHH-NSHDSACASA-N 360.432 1.146 0 40 FDAB COc1ccccc1-c1c2c(=O)n(-c3nc(C)n[nH]3)ccc2nc2ncnn12 40398213 VBYNZWGMVJVIEZ-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)NCC2=CCCCC2)Oc2ccccc21 224387891 RJEUXTSPSWQUDB-INIZCTEOSA-N 350.440 1.830 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1ccc(OC)cc1 41154570 NTNGOLFWGKNYTK-AWEZNQCLSA-N 368.455 1.226 0 40 FDAB O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc(OC2CCCC2)c1 572092053 IRICJWJQGHRNIU-KRWDZBQOSA-N 353.440 1.287 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1C 224155747 BIYPRXNJCTZKAN-UHFFFAOYSA-N 362.455 1.872 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226386466 LHGJBCACLIKDFZ-MPQCEYCISA-N 365.385 1.848 0 40 FDAB Cc1ncsc1CN1CC[C@]2(CCC[C@H](CNS(C)(=O)=O)O2)C1 96208113 NMVMNNOMEAQSLF-UKRRQHHQSA-N 359.517 1.514 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CN(C(=O)CC(F)(F)F)CC2 96254001 HPGMWKUZYQOFTJ-UHFFFAOYSA-N 357.380 1.980 0 40 FDAB CCc1ccc(CN2CCO[C@H]3C[C@@H](COCC(=O)N(C)C)C[C@@H]32)o1 96082765 NDUYPLZCLZBOSK-WBAXXEDZSA-N 350.459 1.926 0 40 FDAB CN(C)C(=O)c1cccc(CNS(=O)(=O)N2CCc3ccccc3C2)c1 332516368 XBDNVTJYBZAHDX-UHFFFAOYSA-N 373.478 1.781 0 40 FDAB CCCCCN(C)C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266096 YEEGEZUMPVKBJY-UHFFFAOYSA-N 362.455 1.926 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cc[nH]n1)C2 96238045 DKXAIMYYXSQZCP-GOSISDBHSA-N 357.389 1.112 0 40 FDAB O=C(Cc1ccccn1)N1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96110924 KYWGUBGEWXKEHK-PKOBYXMFSA-N 352.438 1.379 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3cccc(N(C)C)c3)CC2)C[C@@H]1C(=O)O 96157056 WHFQKEIHLLMKFO-QGZVFWFLSA-N 373.453 1.680 0 40 FDAB Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc(Cn2cncn2)cc1 95475393 NFRLJWKNNXOFNV-UHFFFAOYSA-N 353.382 1.531 0 40 FDAB CSc1ncccc1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122057 UOCSAAKIGJGECI-UHFFFAOYSA-N 352.437 1.836 0 40 FDAB O=C(c1cscn1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 96220289 UDXGYNNKIJZUIY-SJKOYZFVSA-N 358.423 1.195 0 40 FDAB O=S(=O)(NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)C1CC1 96208082 JUGFGKHGFAHJTN-CZUORRHYSA-N 352.460 1.076 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCOC2)CC1 583623185 REWPHXKXXUOVKV-JKSUJKDBSA-N 354.447 1.507 0 40 FDAB Cc1ccc(N2CC3(CC[C@H](CNC(=O)c4ccncc4)CO3)C2)nn1 247932970 RJFCRDQCPGYNPF-OAHLLOKOSA-N 353.426 1.595 0 40 FDAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1cccnc1 247852225 JCKUFTFMLLFHHY-GOSISDBHSA-N 355.442 1.520 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CN3CCCC3)ccnc12 257218350 DCUSSHVHABOMKG-HNNXBMFYSA-N 370.457 1.238 0 40 FDAB O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc2c(c1)CCCC2 257211049 BXIGEMAUOSYRGX-FQEVSTJZSA-N 352.438 1.727 0 40 FDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1 257251914 JSVQAINTUUOLHK-OAHLLOKOSA-N 353.382 1.889 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)ccn1 257303291 SGPYKEKZRYELLQ-SFHVURJKSA-N 355.442 1.976 0 40 FDAB CN(C(=O)NCc1cn2ccsc2n1)[C@@H]1CCCN(c2cccnn2)C1 265608176 ZCNPVXXCQWSOTB-CQSZACIVSA-N 371.470 1.996 0 40 FDAB COc1c(C)cnc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1C 374824737 BWBKTCPIDQEMIL-UHFFFAOYSA-N 353.488 1.707 0 40 FDAB C[C@@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)n1ccc(C(F)(F)F)n1 632489405 JLXORSDGABKQMY-UFBFGSQYSA-N 358.295 1.945 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C 660819857 SMDBXCUMLRWYJC-UXWFCTFPSA-N 368.455 1.051 0 40 FDAB O=C(CC1CC1)NC[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575403216 GPPAKTCYBXQTSY-HNNXBMFYSA-N 358.438 1.930 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2CN2CCC(F)(F)C2)no1 585094948 VTELYMCLRUQRDJ-CQSZACIVSA-N 351.401 1.984 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3ccc(Cl)cc3)C2)CN1CC1CC1 585109595 XWSFQTGTOVAHDD-QGZVFWFLSA-N 363.889 1.751 0 40 FDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCCCO2 585094745 KHGDRNDMNNMQGD-AWEZNQCLSA-N 357.410 1.795 0 40 FDAB O=S(=O)(NCC[C@H]1CCOC12CN(Cc1ccccc1F)C2)C1CC1 585102798 IEFIVFNRBLSVOH-HNNXBMFYSA-N 368.474 1.889 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2scnc2C)Cc2ccnn21 585112792 VMGKJTOWDWKTAX-CYBMUJFWSA-N 355.489 1.144 0 40 FDAB Cn1cnnc1SC(C(=O)N1CCCCC1)C(=O)N1CCCCC1 5888527 ATZWIROMHFUFAO-UHFFFAOYSA-N 351.476 1.301 0 40 FDAB CCn1cc(C(=O)N2CCC3(CC2)C[C@@](O)(c2nccs2)CO3)cn1 12119052 QJVXKUBTHMPJEK-KRWDZBQOSA-N 362.455 1.642 0 40 FDAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1cc(F)ccc1OC 13581130 MFDSJDRLBGIYKD-UHFFFAOYSA-N 370.402 1.754 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCc1cc(F)cc2c1OCOC2 16654723 LHALSTFKNAUTBD-UHFFFAOYSA-N 371.324 1.541 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2nc(-c3ncccn3)no2)C1 19403977 XTVUELSJRMGCQY-GFCCVEGCSA-N 365.349 1.885 0 40 FDAB COc1ccc2c(c1)NC1(CCN(C(=O)C3CC3)CC1)NS2(=O)=O 19562700 QNQBUQCDTJGQGL-UHFFFAOYSA-N 351.428 1.128 0 40 FDAB Cc1cc(N2CCN(CCN3CCCC3=O)CC2)cc([C@@H]2CCCN2)n1 19697976 NMNUNVZFBIOOKI-SFHVURJKSA-N 357.502 1.559 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCC3(c4ccccc4Cl)CC3)cnc21 19715851 TVZQSBWORVAGRY-UHFFFAOYSA-N 371.828 1.631 0 40 FDAB C[C@@]1(C(=O)NC2CCCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 19746874 UPQMBKKZMLGDMJ-SFHVURJKSA-N 374.466 1.981 0 40 FDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 206715086 VODDFNPZSIJDQQ-NSHDSACASA-N 359.391 1.978 0 40 FDAB CCc1nc(N2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nc(O)c1F 1888864308 MQDMVIXJZOAXRL-STQMWFEESA-N 357.389 1.487 0 40 FDAB COCc1nsc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888869589 GPWRDLYMOLIPHY-STQMWFEESA-N 372.498 1.844 0 40 FDAB CCc1ccc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cn1 1565546256 WTXWMRVSRFZOHM-UHFFFAOYSA-N 365.441 1.835 0 40 FDAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccccc1 1565545251 CCNXAOOVHRRAFJ-GOSISDBHSA-N 362.401 1.540 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565553295 SBUAPQLPDRCEPJ-UHFFFAOYSA-N 373.844 1.977 0 40 FDAB CCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007679 GPDZAJGCOMPTKW-UHFFFAOYSA-N 357.410 1.209 0 40 FDAB O=C(NCc1cccs1)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713491 WAGISRAMXGJOOR-ZDUSSCGKSA-N 374.466 1.296 0 40 FDAB O=C(CN1CCO[C@H](C(=O)NC2CC2)C1)Nc1cccc(C(F)(F)F)c1 2086867346 MLXCMWBNCQWREH-AWEZNQCLSA-N 371.359 1.623 0 40 FDAB O=C(NCC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1Cl 575415714 VVJQNIYUJKRUPC-AWEZNQCLSA-N 365.861 1.896 0 40 FDAB O=C(NCCCn1cccn1)c1cn(C[C@H](O)c2ccccc2F)nn1 225581154 UZKGAXOLNOFXKV-INIZCTEOSA-N 358.377 1.167 0 40 FDAB CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859950 ARVAEGJXTBESDK-UHFFFAOYSA-N 360.347 1.094 0 40 FDAB CN(C)S(=O)(=O)N1CCc2nc3ncc(-c4cnn(C)c4)cc3cc2C1 2298108071 YTEWDBIBXRGMJX-UHFFFAOYSA-N 372.454 1.195 0 40 FDAB Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19238292 YIWMBKNPKDGZFP-CABCVRRESA-N 354.458 1.594 0 40 FDAB CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 36617657 RWFUXQIDKTVSPA-UHFFFAOYSA-N 354.428 1.091 0 40 FDAB CCOC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21 844124 DKFZDXXUXMQHKW-UHFFFAOYSA-N 370.199 1.949 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cnc2ccccc2n1)C(C)C 1703487 KCGVZEMKIYGFGP-NHYWBVRUSA-N 358.398 1.062 0 40 FDAB O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccn1 31820604 GLZLWXQEEIVOSO-HNNXBMFYSA-N 366.421 1.257 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Cl)cc(OC)c1OC 4502628 NVNSCVKAZPPXLS-LBPRGKRZSA-N 365.777 1.806 0 40 FDAB CCOC(=O)[C@H](N)CSCCCCSC[C@@H](N)C(=O)OCC 4783083 RITZJZRVOBCNDH-VXGBXAGGSA-N 352.522 1.014 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4884812 UXXUWGNCUZDDFZ-XMDUPGNXSA-N 362.401 1.803 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 20722429 MRYPJLYUZHMXJS-ZDUSSCGKSA-N 360.414 1.968 0 40 FDAB COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1NS(C)(=O)=O 32772009 OAWHPKJMRPFQFP-RYUDHWBXSA-N 368.411 1.672 0 40 FDAB COc1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 32814353 RUNZYEHNBKRZSL-UHFFFAOYSA-N 373.390 1.686 0 40 FDAB Cc1c(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C 21614692 SHUSORLCYCLDJT-LLVKDONJSA-N 365.411 1.528 0 40 FDAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)NC1CC1 17278199 NGRGHDFVOBJLGP-CYBMUJFWSA-N 373.482 1.863 0 40 FDAB 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364.405 1.640 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(N)=O)CC1 12979647 KXTQCAAXXBVFET-HOCLYGCPSA-N 361.442 1.456 0 40 FDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCCC1 7976175 KMBGBKNAEQABGW-UHFFFAOYSA-N 362.470 1.875 0 40 FDAB COC(CNC(=O)c1cc(Br)c(Br)[nH]1)OC 4038168 IAKLXIBJRVUCDF-UHFFFAOYSA-N 356.014 1.888 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCc2ccccc2)c1 8060373 QKADARQDXCWKFQ-UHFFFAOYSA-N 364.423 1.299 0 40 FDAB C[C@H]1CCc2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C1 13704674 URNPGOQAZVDNMC-JTQLQIEISA-N 357.501 1.878 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O 4303891 NSOHBMCGYVEXLE-UHFFFAOYSA-N 365.393 1.344 0 40 FDAB CNC(=O)Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 65494392 UBDPQNGJZRSPFY-GFCCVEGCSA-N 354.410 1.513 0 40 FDAB CN(C)CCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 4676859 XYJFKVMLEXATPE-MRXNPFEDSA-N 361.829 1.604 0 40 FDAB O=C1O[C@@H](c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)c2ccccc21 17043201 OQVBKAYHBOZSAL-OAHLLOKOSA-N 350.330 1.550 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc21 17123638 UOQRMKDAGRCNJY-UHFFFAOYSA-N 369.377 1.979 0 40 FDAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCOCC3)n2C)cc1 8749405 SSOXLYSHSITAOA-GFCCVEGCSA-N 362.455 1.830 0 40 FDAB O=C(CNC(=O)COc1ccccc1)NCCCOc1ccccc1F 8777925 RWQSLFCMAJUVBR-UHFFFAOYSA-N 360.385 1.906 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN1C(=O)c2ccccc2C1=O 96997082 JFZQIWWNDMYWJJ-ZDUSSCGKSA-N 359.382 1.713 0 40 FDAB CCOC(=O)c1nnc(NC(=O)c2csc(-c3cnn(C)c3)n2)s1 79104390 PTGPXHMJAOTIOV-UHFFFAOYSA-N 364.412 1.824 0 40 FDAB COC[C@H](O)CCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 95451827 USXSSNBHQVRGKA-FUHWJXTLSA-N 362.470 1.669 0 40 FDAB COC(=O)c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)on1 95465666 GHNQSMVRTJTDNQ-LLVKDONJSA-N 353.375 1.494 0 40 FDAB C[C@]1([C@H]2CCCN(C(=O)CCn3ccc4ccccc43)C2)NC(=O)NC1=O 75094527 MNEUGXKWJBQOPC-MGPUTAFESA-N 368.437 1.868 0 40 FDAB CC(C)n1cc(CN2Cc3cncn3[C@@H](CCNS(C)(=O)=O)C2)cn1 306126347 DTDKCSXJYHVFSD-HNNXBMFYSA-N 366.491 1.157 0 40 FDAB 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O=C(C[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCC1CCOCC1 96218895 DISKOQFUIBQAHC-IPMKNSEASA-N 359.470 1.604 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202984 PIWUZQYWBFILTR-UHFFFAOYSA-N 352.412 1.194 0 40 FDAB O=C(Cc1cccnc1)N1CCOC2(CCN(C[C@@H]3CCOC3)CC2)C1 96158983 VYNMVJVYCZKBBT-SFHVURJKSA-N 359.470 1.354 0 40 FDAB Cc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCOCC4)COC[C@H]3C2)s1 96057230 VKUYANUCPLXZRK-NUJGCVRESA-N 364.511 2.000 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 92563823 HJNFKVVVGOSDKZ-OAHLLOKOSA-N 362.455 1.335 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 95473749 BUIKJCBQYLJUQS-OAHLLOKOSA-N 351.414 1.394 0 40 FDAB CN1CCN(Cn2cc(CC(=O)N3CCN(C)CC3)c3ccccc32)CC1 95190919 CGBGHAMHYMCUEP-UHFFFAOYSA-N 369.513 1.163 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1ccc(F)cc1 96240129 DGEQCNVMLOZRNE-HXUWFJFHSA-N 371.412 1.855 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCC3CCOCC3)C2)n1 257283519 OYRJQJTWDUGOQV-MRXNPFEDSA-N 362.474 1.688 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cc(-c3ccc(C(=O)O)cc3)ncn2)C1 257254503 KDIKAIKNXPRBTL-GFCCVEGCSA-N 361.423 1.666 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@@H](c2nccnc2-c2cncn2C)C1 257290361 QCQNXDXNTUBTBX-CQSZACIVSA-N 363.425 1.995 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1 257278529 OCPODUGAYLKDBU-CQSZACIVSA-N 351.410 1.993 0 40 FDAB Cc1ncc(CNC(=O)c2ccc(C)n(C)c2=O)c([C@@H]2CCCN2C)n1 257326035 WVMYKOLSJPYUSM-INIZCTEOSA-N 355.442 1.489 0 40 FDAB COCCn1cc(C(=O)N2CCN(C)[C@@H](C(=O)N(C)C)C2)c2ccccc21 257284646 PDRFCRKKMOKAMS-GOSISDBHSA-N 372.469 1.132 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)c(=O)n1C 257246854 IWCRHILSPDBCDS-INIZCTEOSA-N 355.442 1.523 0 40 FDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1cnc2ccccc2n1 253405183 RYYBKIFJCYSJMZ-UHFFFAOYSA-N 364.340 1.304 0 40 FDAB CC1(C)CCN(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)CC[S@@]1=O 593700923 VFOSZKWZOZPUEH-CJAUYULYSA-N 366.483 1.972 0 40 FDAB Cn1c(=O)nc(O)c2c(C(=O)Nc3cc(C4CC4)[nH]n3)cc(C3CC3)nc21 616333838 HXEQVEDFWNUOQT-UHFFFAOYSA-N 366.381 1.764 0 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COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2cc(C)[nH]n2)CC1 2055756583 ZKBJVYFYLPPSEL-UHFFFAOYSA-N 371.485 1.927 0 40 FDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 20347368 FSOBDSFZGIRZLK-INIZCTEOSA-N 350.415 1.403 0 40 FDAB Cc1ccc(C)c(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)c1 22909463 UEJYRYOJILHSSE-UHFFFAOYSA-N 362.411 1.942 0 40 FDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12 100062357 DFWUNJMYQLNCAH-IUCAKERBSA-N 356.165 1.374 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NCc1cccc(NS(C)(=O)=O)c1 11360615 UGYUNFSBZDDMQF-UHFFFAOYSA-N 364.471 1.657 0 40 FDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 3523011 NSZMDYJGMOUVKI-SNVBAGLBSA-N 352.368 1.419 0 40 FDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O 3617918 ZDGHAVFBMRQGSE-UHFFFAOYSA-N 363.377 1.555 0 40 FDAB CCOC(=O)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 6032577 BJJGWUBPXBJMFP-UHFFFAOYSA-N 351.355 1.595 0 40 FDAB COC(=O)c1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)o1 6126535 FAUOMCBWPRUMEF-UHFFFAOYSA-N 366.395 1.061 0 40 FDAB 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FZSUFLAQJHLVHQ-ZIAGYGMSSA-N 362.401 1.980 0 40 FDAB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 102280376 UJEHZWVFZSMGRA-BPUTZDHNSA-N 372.421 1.582 0 40 FDAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324557 FTOLKVKRBRWTFG-ZDUSSCGKSA-N 354.472 1.942 0 40 FDAB O=C(CN1CCN(Cc2cccnc2)CC1)NC(=O)NC1CCCCC1 89794016 WSRRVZBUWQGCOH-UHFFFAOYSA-N 359.474 1.358 0 40 FDAB O=C1C[C@@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nc2N1 9357433 IGSVDAVUJJGGQP-IHRRRGAJSA-N 363.377 1.665 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 41779030 UHQBASGQPCJKFY-GOEBONIOSA-N 352.456 1.525 0 40 FDAB O=C(N[C@H]1CCSC1=O)c1cccc(C(=O)N[C@H]2CCSC2=O)c1 663200 WQKGXFYNDRMLLF-RYUDHWBXSA-N 364.448 1.210 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 22267035 WKBITVOEMRSSJA-UHFFFAOYSA-N 352.435 1.374 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2cccc(F)c2F)CC1 22288963 NMYZLSIHDZJVRH-UHFFFAOYSA-N 370.425 1.513 0 40 FDAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)NN1CCOCC1 2770845 HKOYSFRLWUJKTE-UHFFFAOYSA-N 357.130 1.178 0 40 FDAB CSc1ccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 22913865 DTNWOZMFBNIHJS-UHFFFAOYSA-N 362.499 1.243 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100899631 JFUOZIQMCIFVJZ-CYRBYOLUSA-N 368.433 1.498 0 40 FDAB CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 1013777 GEBFNXVVDBYCHZ-YVMONPNESA-N 372.834 1.221 0 40 FDAB O=C1CCC2(CCN(S(=O)(=O)C(F)(F)F)CC2)CN1CC1CC1 108534624 NINKJFVMZWTRNS-UHFFFAOYSA-N 354.394 1.951 0 40 FDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)C1 1255745 MPKFXHIMPMIXHL-GFCCVEGCSA-N 371.416 1.847 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)no1 106021900 KUCXECHSLQLWLB-DFYYWFRZSA-N 365.389 1.586 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1 12529461 TXKRYYUCKWKTDQ-AWEZNQCLSA-N 356.407 1.479 0 40 FDAB NC(=O)c1cccc(CCNC(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 178886123 RMKSORUCANMOOO-IEBWSBKVSA-N 370.497 1.986 0 40 FDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)CC1 101274399 CEPWUTCKHXKZBT-OAHLLOKOSA-N 361.398 1.101 0 40 FDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cc4nonc4C)C3)cc2n1 100138165 XREWQQIPDMQCLZ-GFCCVEGCSA-N 370.413 1.637 0 40 FDAB Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 106897168 XIODYPBNKATADM-SECBINFHSA-N 356.473 1.579 0 40 FDAB COc1ccc(CN2C(=O)CO[C@H]3CN(C4CCN(C)CC4)C[C@H]32)cc1 67897221 GWUVSEVQBYRVGR-MOPGFXCFSA-N 359.470 1.201 0 40 FDAB biogenic,in-vitro O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(Cl)cc1F 35310678 WSUYBJBCDZVCPV-HNNXBMFYSA-N 369.824 1.741 0 40 FDAB CN1CC(=O)N(CCCC(=O)N[C@@H](c2ccccc2)c2nccn2C)C1=O 23775024 ZNUJIPMRTVXSET-KRWDZBQOSA-N 369.425 1.300 0 40 FDAB CC(=O)N1CCC(N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)CC1 67897092 RGPOAFIXZQCNCB-MOPGFXCFSA-N 357.454 1.109 0 40 FDAB biogenic,in-vitro CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Br)cc2)C1 58172345 XTFUIEHSUJGEJW-GWCFXTLKSA-N 370.247 1.667 0 40 FDAB CN(C1CCN(C(=O)CCC(=O)c2cccs2)CC1)S(C)(=O)=O 58223029 YJSFPVDKTCTZOT-UHFFFAOYSA-N 358.485 1.593 0 40 FDAB COCCOc1ccc(S(=O)(=O)N(C)c2cccc(OC)n2)cc1 27960124 RYMOSVNSBBNHJZ-UHFFFAOYSA-N 352.412 1.941 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 3375910 CAVVFTHNNQJCJH-OAHLLOKOSA-N 368.389 1.761 0 40 FDAB O=S(=O)(CCn1nnc2ccccc21)N[C@H]1CCOc2ccccc21 12913660 YUILFSKPOLVTIH-AWEZNQCLSA-N 358.423 1.875 0 40 FDAB C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 12979629 UUPDJFHVXGUSAA-WMLDXEAASA-N 370.405 1.941 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3549100 QAQDEGQMVOZUJV-LJQANCHMSA-N 372.425 1.394 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 5469506 CQWIGBKDUQNIJV-GOSISDBHSA-N 354.414 1.757 0 40 FDAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1nonc1N 4770254 XRQNCGKWDYYUSP-UHFFFAOYSA-N 359.415 1.339 0 40 FDAB Cc1ccn2c(=O)cc(COC(=O)CNC(=O)Cc3ccccc3)nc2c1 15349764 PZZQECLRAUPTOF-UHFFFAOYSA-N 365.389 1.405 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1OC 9483768 OWHZEBYFLDKSHZ-NSHDSACASA-N 367.427 1.316 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CCCO2)NC(=O)N[C@@H]1c1ccccc1 9454212 DALBZRBRSCWMOJ-GOEBONIOSA-N 374.393 1.580 0 40 FDAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cccs3)C2=O)n(C)n1 97009970 OPPROUFBZDBUKW-LLVKDONJSA-N 354.457 1.264 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)[C@H](c1ccccc1)n1cnnn1 95475429 PLJAIROAGSTMMX-SFHVURJKSA-N 361.409 1.737 0 40 FDAB C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)C[C@@H](C)O1 409412766 AGVNXTGLCTWUGG-NFAWXSAZSA-N 360.458 1.775 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cnccn1)C2 306144214 YZHIOEWWMHIGHW-CQSZACIVSA-N 371.416 1.626 0 40 FDAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)nn1C1CCOCC1 530261698 DXTSIOMKDKGSQA-INIZCTEOSA-N 367.413 1.576 0 40 FDAB NC(=O)NCCCCCC(=O)NCCNC(=O)c1ccc(Cl)cc1 32909917 NDWJPBYKQOJZJF-UHFFFAOYSA-N 354.838 1.415 0 40 FDAB CNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCN(C)C2 72380154 GSLQZMSATSSNQL-OAHLLOKOSA-N 366.469 1.921 0 40 FDAB CC(C)n1nc(CC(=O)N2CCc3nc[nH]c3C2)c2ccccc2c1=O 1565524590 OPYHBDQNSKVTQS-UHFFFAOYSA-N 351.410 1.828 0 40 FDAB O=C(C1CC1)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225468816 QKWASUYXOUJWDS-UHFFFAOYSA-N 351.472 1.195 0 40 FDAB biogenic,in-vitro O=C(CCCN1C(=O)CCC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 40107418 HZDBIAKYUOWAFM-UHFFFAOYSA-N 368.397 1.543 0 40 FDAB COc1ccccc1OCCNC(=O)[C@@H](c1ccccc1)n1cnnn1 80329789 DZKBHFWNMINUPX-QGZVFWFLSA-N 353.382 1.466 0 40 FDAB Cn1cc(CN2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)cn1 96058473 QESQRGGAOVZFFV-RTBURBONSA-N 374.510 1.598 0 40 FDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1cccc(F)c1)CC[C@H]2OC 96218271 STTLGVNPTSBXLF-RCCFBDPRSA-N 350.434 1.562 0 40 FDAB COCCNC(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn23)n1 96155378 LIJQRJASFMMBFU-UHFFFAOYSA-N 364.409 1.902 0 40 FDAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)CN1C 96207528 PULPSSQCJJCXIX-HNNXBMFYSA-N 356.463 1.947 0 40 FDAB Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1 253399788 JYPKMFXUZVPTDT-OAHLLOKOSA-N 374.393 1.846 0 40 FDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCc2cccnc2)n1 257333352 YBFVYVUYAPVVPH-SFHVURJKSA-N 353.426 1.804 0 40 FDAB Cc1ccn(CCC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1 257252518 JVBBAACKZJPXJA-MRXNPFEDSA-N 356.417 1.276 0 40 FDAB CC(C)(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)[nH]n1 257204496 AUXIBEPRVQAMSC-SFHVURJKSA-N 358.446 1.259 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cncnc3)CC2)ncn1 257296296 RCDFHLRCBZMEFR-AWEZNQCLSA-N 368.441 1.453 0 40 FDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](c2nnc3ccccn23)C1 265621911 BNUQANMFSGUOKZ-BZUAXINKSA-N 357.458 1.592 0 40 FDAB C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 265238609 IHQBXPPJCLCYQI-CQSZACIVSA-N 366.421 1.932 0 40 FDAB CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@H]2C)n1 260732771 BDPWLSLTNUIXBK-CYBMUJFWSA-N 364.519 1.998 0 40 FDAB Cc1ccsc1CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 632287448 IRURTWVZSDRJCY-AWEZNQCLSA-N 357.435 1.856 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)c2ccccc21 642243909 PBWDNKSJZZZNSA-MRXNPFEDSA-N 372.469 1.053 0 40 FDAB CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(c1ccc3nnc(C4CC4)n3n1)C2 596450272 UGNHLLLYGKOXQN-BFUOFWGJSA-N 371.441 1.796 0 40 FDAB COC(=O)c1cn(-n2c(S)nnc2-c2ccncc2)cc2c(O)nnc1-2 604418779 CBHIMRYYYIWHNX-UHFFFAOYSA-N 369.366 1.129 0 40 FDAB CNC(=O)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)cc1 569456883 NFBNXJRVNCFCEH-SWLSCSKDSA-N 363.414 1.776 0 40 FDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 585283141 CIWJIVHPILAOQL-RBBKRZOGSA-N 368.477 1.733 0 40 FDAB CO[C@@H]1CCN(CC(=O)Nc2ccn(C)n2)C[C@H]1Cc1ccc(C)cc1 585275448 AXBFGAGGMUCASE-QZTJIDSGSA-N 356.470 2.247 0 40 FDAB Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)c1 585098642 ZWYIEDAHRDDUIT-INIZCTEOSA-N 355.442 1.333 0 40 FDAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)C2CC(O)C2)CC3)c1 585110346 IGULKPJFOWVRDQ-UHFFFAOYSA-N 355.438 1.921 0 40 FDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1 1615084228 HGWIRUQIYLURSF-LJQANCHMSA-N 360.458 1.175 0 40 FDAB CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@H]1C 5239628 SCZYUODFYJWJBY-LURJTMIESA-N 361.185 1.069 0 40 FDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Br)OCO2 19575230 YBKKKJNFMCMNBT-KGYLQXTDSA-N 369.259 1.817 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 19715656 YYQYNUJJKIAIMG-OAHLLOKOSA-N 367.384 1.886 0 40 FDAB CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1 19867526 YDSSNPNKZHQDHD-UHFFFAOYSA-N 374.445 1.767 0 40 FDAB CC(C)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12441440 BIBOMRHTIUYWJW-UHFFFAOYSA-N 354.472 1.857 0 40 FDAB COCCNC(=O)Cn1nc2c(c1NC(=O)CC1CCCC1)CSC2 23138969 GRBCEKYZRDPBMH-UHFFFAOYSA-N 366.487 1.911 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1n[nH]c(=O)c2ccccc12 5109050 GVRQLGWPGPGUOD-UHFFFAOYSA-N 363.329 1.376 0 40 FDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccccc2F)OCC1=O 1888864184 KRKIAERJZQIDTL-FSWDVZBNSA-N 362.401 1.585 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(c5ncc(OC)cn5)C[C@@H]4C3)nn12 1888903839 XAUCVVWJPOVPAL-STQMWFEESA-N 366.429 1.058 0 40 FDAB O=C(CC[C@@H]1CCCO1)N1CCN(c2nnnn2-c2ccccc2)CC1 24780210 IHBJOTJYVFCFHM-INIZCTEOSA-N 356.430 1.270 0 40 FDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2ccccc2)no1 1775963820 FFDYHGLRTCCRJX-ZDUSSCGKSA-N 359.386 1.701 0 40 FDAB biogenic,in-vitro COc1cc(C)ccc1CN1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037983720 DBKZKTPEWVUTIE-FQEVSTJZSA-N 362.470 1.842 0 40 FDAB O=C(CN1CCCC1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984525 DPRUJPIXBHKVEE-AEFFLSMTSA-N 357.454 1.363 0 40 FDAB Cn1cc(-c2cncc(N3CCN(c4ccn5nccc5n4)CC3)n2)cn1 2087051395 YNYOCZRYWJNFLL-UHFFFAOYSA-N 361.413 1.246 0 40 FDAB O=C(c1cc[nH]c1)N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1 1565554563 AHYLTFBJYRSAPR-OAHLLOKOSA-N 351.453 1.756 0 40 FDAB Cc1nnc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)s1 5155095 MNOMMHWNIKIKJS-UHFFFAOYSA-N 351.335 1.679 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC(C)C)n(-c2nc(O)cc(C(C)C)n2)n1 9038350 AMUANCVYTLGOKU-UHFFFAOYSA-N 360.418 1.510 0 40 FDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2C 9571755 LBWILAWUUJUJPJ-UHFFFAOYSA-N 374.441 1.115 0 40 FDAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2cccnc2)c3=O)cc1 12233777 SHUPFKGHSYXEIG-UHFFFAOYSA-N 362.393 1.423 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)c(OC)c1 13136081 AWCQXXFGIIXRLS-AOOOYVTPSA-N 352.412 1.521 0 40 FDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2)N1CCC(O)CC1 2055713486 VNLAPTVYNUKKPQ-AWEZNQCLSA-N 360.458 1.055 0 40 FDAB CN(C)CCCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 19582335 KFCBASITBHQWQU-BEFAXECRSA-N 364.490 1.159 0 40 FDAB Cc1cc(N2C(=O)C[C@H](N3CCN(c4ccccc4O)CC3)C2=O)no1 100184865 PDLDWOXQDXYPFQ-AWEZNQCLSA-N 356.382 1.143 0 40 FDAB COc1ccccc1OCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 31357852 VYFSKKSSGOQHIH-KRWDZBQOSA-N 356.378 1.980 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20445617 AWOAPCRPLZSFDT-UHFFFAOYSA-N 352.438 1.542 0 40 FDAB Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)on1 69536144 QIAZENMFRYGXKK-UHFFFAOYSA-N 366.425 1.790 0 40 FDAB Cc1c(N)ccc(-c2ccc(N)c(C)c2S(=O)(=O)O)c1S(=O)(=O)O 1581319 JEAIBBBXTHBWNI-UHFFFAOYSA-N 372.424 1.628 0 40 FDAB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc(C(N)=O)c1C 2486621 XGWGLUQSFGODKH-RKDXNWHRSA-N 366.395 1.548 0 40 FDAB CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 4081396 VNLQNGYIXVTQRR-UHFPMSHQSA-N 362.466 1.780 0 40 FDAB biogenic COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4112489 LDXMVMBHJUGHRZ-NFFDBFGFSA-N 364.195 1.909 0 40 FDAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1N1CCOCC1 4535504 KFAZNOBXQANDNL-LZDSYCOUSA-N 368.389 1.533 0 40 FDAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1nccs1 4906335 NVVNHYDQXQRFEH-YOQJGNTNSA-N 356.400 1.478 0 40 FDAB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 6958427 OVEHCBWATKJYFI-WTKPLQERSA-N 368.187 1.958 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 7323337 CZZJSDLIVBHJFJ-UHFFFAOYSA-N 359.407 1.495 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)N1CCCC1 7984987 JUEGCCREUWCDBU-UHFFFAOYSA-N 359.209 1.889 0 40 FDAB CN(CC(=O)Nc1sccc1C(N)=O)C[C@H]1COc2ccccc2O1 16629206 HFHUGKSPVMXICY-NSHDSACASA-N 361.423 1.557 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 8131425 AUBXOOMMWHZBKL-LJQANCHMSA-N 372.425 1.182 0 40 FDAB CCn1c(S)nc2cc(C(=O)N[C@](C)(CC)C(=O)OC)ccc2c1=O 104111599 VYVZMNODQUMNAW-QGZVFWFLSA-N 363.439 1.777 0 40 FDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nnc2ccccn12 23644652 CXAJGMHXZFDMKI-NSHDSACASA-N 357.801 1.817 0 40 FDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1nn(-c2ccccc2)c2c1CCC2 89857550 BYTQNUVPFNZFPN-CQSZACIVSA-N 373.478 1.802 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccccc2C)n2ncnc2N1 54672246 JJSWZHLZMXQFDF-QGZVFWFLSA-N 352.442 1.649 0 40 FDAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc2n1 100137923 YAOSEVNRPXOGHN-KBPBESRZSA-N 371.441 1.460 0 40 FDAB COCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 22273857 VVHBOPWSPDUIRH-UHFFFAOYSA-N 362.451 1.953 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1 25717291 AAROQRWKEFRJNN-NSHDSACASA-N 356.444 1.445 0 40 FDAB Cc1cc(N2CCOCC2)n2ncc(S(=O)(=O)c3ccccc3)c2n1 28405897 KASYWHDKCRBCOJ-UHFFFAOYSA-N 358.423 1.707 0 40 FDAB O=C1CN(C(=O)CN2CCN(c3ccccc3O)CC2)c2ccccc2N1 58164923 OPBWLXPZKZXUML-UHFFFAOYSA-N 366.421 1.500 0 40 FDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(F)(F)F 3252993 DUXSLGPCJGYJHT-UHFFFAOYSA-N 361.305 1.470 0 40 FDAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc(S(=O)(=O)N(C)C)c1C 27866409 GKYYQYKBHOITQG-DZGCQCFKSA-N 354.472 1.851 0 40 FDAB O=C(CN1C(=O)CCC1=O)Nc1ccc(I)cc1 3351985 LLQUXWAODINXCD-UHFFFAOYSA-N 358.135 1.379 0 40 FDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCS(=O)(=O)C2)c1 12897509 BOBPFIWMTUUKJH-LBPRGKRZSA-N 374.484 1.138 0 40 FDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(N)=O 3438007 OIFLCAWVKAXXDO-LBPRGKRZSA-N 354.428 1.282 0 40 FDAB CCOC(=O)c1c[nH]c(N2CCN(c3cccc(Cl)c3)CC2)nc1=O 20636442 SKNFKDKFYYRRAJ-UHFFFAOYSA-N 362.817 1.927 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@H](C)C(N)=O 8391349 AEANTXSWUKRHGG-GFCCVEGCSA-N 355.460 1.546 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 13060802 GBLIGUQUUBDGAI-ZIAGYGMSSA-N 369.487 1.293 0 40 FDAB O=C1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)=NN1 8388821 ADLOFLGDXJQMPB-UHFFFAOYSA-N 359.411 1.337 0 40 FDAB Nn1c(SCC(=O)NCCc2cccs2)nnc1C(F)(F)F 5282193 IAMBBKBKUCBTJO-UHFFFAOYSA-N 351.379 1.523 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)n2nc(N3CCCCC3)nc2N)c1C 65609456 ROYDMAUIXFVKDY-UHFFFAOYSA-N 360.418 1.661 0 40 FDAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)n[nH]c1=O 6888217 HQGUHFOVFOUDTA-UHFFFAOYSA-N 352.416 1.729 0 40 FDAB CCCNc1nnc(SCC(=O)NC(=O)NCCCOCC)s1 6879118 PQXNWICGEOZSGN-UHFFFAOYSA-N 361.493 1.705 0 40 FDAB O=C(NCc1ccccn1)c1nc(Cn2cc(Br)cn2)no1 15082466 GEBYGPMYJMYIOF-UHFFFAOYSA-N 363.175 1.402 0 40 FDAB O=C(COC(=O)c1ccc(Cl)nc1O)NCc1ccc2c(c1)OCO2 15980834 JPRLSIIIVPQAHZ-UHFFFAOYSA-N 364.741 1.643 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2Cl)NC(=O)N[C@@H]1C 16049843 UFTFFTYDYGPJIG-MRVPVSSYSA-N 353.762 1.410 0 40 FDAB Nc1nccnc1C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002502 UNJULRGEXNTZEJ-LBPRGKRZSA-N 353.361 1.201 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 97260600 WNJUGNQDZTXEMH-HNNXBMFYSA-N 366.439 1.774 0 40 FDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)cc1 95956994 VKRBSAQQNCHZHA-RNVIBTMRSA-N 352.412 1.074 0 40 FDAB CNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 75109439 TUHJPKGHEAFYTG-OAHLLOKOSA-N 362.430 1.051 0 40 FDAB Cn1ccc2cc(C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)ccc21 79493882 RIGGIJSKPUPMOI-UHFFFAOYSA-N 362.389 1.612 0 40 FDAB O=S(=O)(c1ccc(NCCc2ccccc2F)nc1)N1CCOCC1 23732066 IETAIEGYQWOIPO-UHFFFAOYSA-N 365.430 1.896 0 40 FDAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3cnn(C)c3)cc12 176183453 APAYEZLBQDYZGG-CJNGLKHVSA-N 367.413 1.548 0 40 FDAB CCS(=O)(=O)c1cccc(C(=O)N2CCNC[C@@H]2c2nccn2C)c1 517126048 FQHUTFJYMPAQQD-OAHLLOKOSA-N 362.455 1.000 0 40 FDAB COc1ccc(OCCNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 39995646 IPJCQDPKNLQWMZ-UHFFFAOYSA-N 363.414 1.301 0 40 FDAB Cn1nc2c(c1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)CCCC2 72344645 YLXSLRMYPYDHPC-CYBMUJFWSA-N 368.503 1.233 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2F)CC1)NCc1ccccc1 36389657 POEDSGHIXACTKQ-UHFFFAOYSA-N 355.413 1.900 0 40 FDAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32104821 NARJEOOVZCFSMX-AWEZNQCLSA-N 371.846 1.524 0 40 FDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 72394342 VJPGBMJJZPTGEW-KRWDZBQOSA-N 358.438 1.825 0 40 FDAB Cc1ccc(CN(C)C(=O)C2CCN(c3ccc4nncn4n3)CC2)o1 32779823 BBSFIVSBGCCFLO-UHFFFAOYSA-N 354.414 1.901 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc3c(c2)OCO3)cc1 32869811 TUQGGQTZDFSTTN-UHFFFAOYSA-N 363.395 1.427 0 40 FDAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NCc2ccco2)c1 217493707 WJLXYQIIVOSYSR-UHFFFAOYSA-N 354.384 1.251 0 40 FDAB CCOc1ccc([C@@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 40071117 DISFUJJIKWSRFI-UKRRQHHQSA-N 354.472 1.381 0 40 FDAB CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 41092083 ZDOXWIFVAGMKQY-UHFFFAOYSA-N 356.488 1.391 0 40 FDAB O=C(CN1CCS(=O)(=O)C[C@@H]1C1CC1)Nc1nc2ccccc2s1 570898844 UUEFKPLMDGUZLP-CYBMUJFWSA-N 365.480 1.744 0 40 FDAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCc1cccnc1 49390122 KACHGKJGJGUPRC-UHFFFAOYSA-N 368.393 1.411 0 40 FDAB COC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 48236119 CHAFETPEJNNPPZ-UHFFFAOYSA-N 362.407 1.093 0 40 FDAB O=C(O)[C@@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1 96069109 TYAVNVRCUBDYJD-HOTGVXAUSA-N 350.390 1.145 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccccc4)CC3)[C@@H]1CN(C)C2 96143826 PIVLDDVTWGIZFE-LAUBAEHRSA-N 355.482 1.997 0 40 FDAB Cc1nnc(N2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)s1 96220072 WHMSCXOCVOBSLA-CMPLNLGQSA-N 351.457 1.280 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96208499 XQFGACPWBWWKOY-HNNXBMFYSA-N 352.456 1.714 0 40 FDAB CS(=O)(=O)[C@@](Br)(I)C(=O)C1CC1 96518538 KEDZKTHUEFHAJO-LURJTMIESA-N 367.002 1.494 0 40 FDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472320 YBMRNPZQBDXJTJ-KGLIPLIRSA-N 355.442 1.516 0 40 FDAB COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 96217003 WSFAQWHEQCZOJG-QGZVFWFLSA-N 350.434 1.959 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccccc1C)C2 248026933 OOHAXYNODHQKJC-CQSZACIVSA-N 373.496 1.209 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230442 RQZAKLPXGJTNNF-ZTENYAIWSA-N 362.401 1.803 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 257342772 ZQCOUTCYVDQQJC-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Cc1ncc(-c2cncc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C 257274011 NJELGNDLEZEOEF-CYBMUJFWSA-N 364.475 1.171 0 40 FDAB Cc1nccc(N2CCC[C@@H]2c2ccnc3c(C(=O)N(C)C)cnn23)n1 257267214 MGKHLCQRGKEILN-CQSZACIVSA-N 351.414 1.871 0 40 FDAB Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc(S(=O)(=O)N(C)C)c1C 585082382 LEDTXAOKOQHVLS-HUUCEWRRSA-N 354.472 1.539 0 40 FDAB COCc1ccc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cc1 257273964 NIYKXSNJTOYHCN-KRWDZBQOSA-N 357.410 1.802 0 40 FDAB Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)s1 257343971 ZVDVRNHFJPTIBM-RBSFLKMASA-N 353.488 1.494 0 40 FDAB CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cnn(C2CCOCC2)c1 275179678 XRYPRTGVIBXGMN-UHFFFAOYSA-N 365.411 1.758 0 40 FDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)Cc1ccccn1 548527770 CQCSRONFSDSIQZ-NSHDSACASA-N 364.379 1.032 0 40 FDAB CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CNC[C@H]1c1cn(C)cn1 1614995917 QBGVKABDZBPJHE-CHWSQXEVSA-N 359.499 1.717 0 40 FDAB c1nc2c(c(N3CCOCC3)n1)CN(CCc1ccc3c(c1)CCO3)CC2 608494344 NEHHURAVSTUGHP-UHFFFAOYSA-N 366.465 1.849 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@H]2O)cn1 625619279 CJZFIVUMRWEPMF-RTBURBONSA-N 353.426 1.713 0 40 FDAB CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN([C@H](C)CC(=O)O)CC2)c1 630224437 OCXOMPOAICENRT-LLVKDONJSA-N 367.833 1.919 0 40 FDAB CCN1CCO[C@@H](CN=c2cc[nH]c3ccncc23)[C@@H]1c1cnn(C)c1 664312266 GODZSSHLGDOJMX-OALUTQOASA-N 352.442 1.659 0 40 FDAB CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(C(=O)O)c1 578863806 WUSNQGCFQRWKKJ-UHFFFAOYSA-N 353.400 1.168 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)c1 575402523 BMGQLPSOKVDPNL-ZMSDIMECSA-N 371.462 1.969 0 40 FDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)Cc1ccccn1)CC2 585111018 RSRVNJOHKYDHLV-UHFFFAOYSA-N 352.438 1.650 0 40 FDAB CNC(=O)C[C@]1(COC)CCCN1S(=O)(=O)c1cccc(OC)c1 585278203 NFLSDRGLRPHJBW-INIZCTEOSA-N 356.444 1.001 0 40 FDAB COC(=O)CCCNC(=O)CN1CCC(CN2CCCCCC2)CC1 48562870 LXDIVGBRPBBGBH-UHFFFAOYSA-N 353.507 1.644 0 40 FDAB CN(C(=O)[C@@H]1CCCCO1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565522844 SVBYQMCNDAMUNG-HNNXBMFYSA-N 370.457 1.608 0 40 FDAB O=C(CN1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1)Nc1nncs1 579224358 DJHJIZVZEKWXIZ-AOOOYVTPSA-N 354.338 1.279 0 40 FDAB Cc1ccn(CCC(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615122877 BIGVDFRVECGFIE-HXUWFJFHSA-N 368.437 1.616 0 40 FDAB CC(C)c1cc(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n(C)n1 1615550936 VWNBHJCGUOODCL-XIRDDKMYSA-N 360.458 1.538 0 40 FDAB CC1(C)O[C@H]2[C@@H](OCCO)C[C@@H](NC(=O)OCc3ccccc3)[C@H]2O1 143991430 OCBUGPAQVZSMFX-QXSJWSMHSA-N 351.399 1.583 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(CNC(N)=O)cc1 12602811 MYMVVZKEQBSALK-UHFFFAOYSA-N 351.410 1.943 0 40 FDAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H]2C=CS(=O)(=O)C2)CC1 13734036 RUPBDMLPWKLRSD-JXQTWKCFSA-N 372.487 1.744 0 40 FDAB Cc1ccnn1[C@H](C)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19238242 XTPCSRBGJRJQMX-OAHLLOKOSA-N 368.485 1.937 0 40 FDAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3ccccn3)C1)CNC2=O 19562861 ONMRQOKUERVWKO-FQEVSTJZSA-N 367.405 1.887 0 40 FDAB CCc1ccccc1N1C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)O)C1=O 16899725 QAGMTQJEGQWSIB-OCCSQVGLSA-N 364.423 1.203 0 40 FDAB COCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 9051724 BJSIIUBHUWAPBQ-LJQANCHMSA-N 361.442 1.514 0 40 FDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccc(O)nn4)C[C@H]3C2)nn1 1888844198 XVXKVBJJJRMKQO-BETUJISGSA-N 368.441 1.478 0 40 FDAB CCc1c(C)ncnc1N1CCN(c2nc(C)nc3c2cnn3C)CC1 1888866351 IRTLLMNDKYHJJZ-UHFFFAOYSA-N 352.446 1.659 0 40 FDAB O=C(NC1CCOCC1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1889136092 CCXLWXRWRTUZDN-HUUCEWRRSA-N 357.458 1.611 0 40 FDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CN(C)C(C)C)CC2 1142586727 JIDCYEJKTJFSSS-INIZCTEOSA-N 353.507 1.450 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)C1(F)CCC1)C2 1614947710 LOTSIXFSPZJAEK-LJQANCHMSA-N 373.428 1.745 0 40 FDAB O=C(NCc1ccccc1)c1n[nH]c2c1C[C@H](CNC(=O)C1(F)CC1)OC2 1565545617 JCFYMBZRPUUUDN-CYBMUJFWSA-N 372.400 1.399 0 40 FDAB Cn1nc(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c2cc(C(=O)NC3CCC3)sc21 1565547335 NUZBKFSKKNQDNY-JYAVWHMHSA-N 374.466 1.426 0 40 FDAB Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)nc(=O)n2c1 4499861 RXHHENNKEKZEDF-UHFFFAOYSA-N 370.390 1.857 0 40 FDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@@H](C)C[C@H](C)C1 10233898 ITSDTHLNJCIQEK-RYUDHWBXSA-N 372.473 1.271 0 40 FDAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCOCC1 13848863 YQRSXBHRAGUQSJ-UHFFFAOYSA-N 366.464 1.950 0 40 FDAB CC(=O)OC(C)(C)C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C 575613873 XFZFXHXSNCAUID-UHFFFAOYSA-N 355.416 1.406 0 40 FDAB COc1ccc(CN2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1 40049470 BCYFUFJENYIORW-UHFFFAOYSA-N 371.466 1.790 0 40 FDAB COC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N 9110291 XUCBCMKNMAUUKW-UHFFFAOYSA-N 364.818 1.968 0 40 FDAB O=C1NC(=O)C2C(=O)NC(=O)C1C2(c1ccccc1)c1ccc(Cl)cc1 1624712 KZAFXXHMYFABJN-UHFFFAOYSA-N 368.776 1.171 0 40 FDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1F 3326489 WBBOOVMZGDTRDM-UHFFFAOYSA-N 351.403 1.544 0 40 FDAB CC(=O)O[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cccnc1 4093007 ZDFTUGZYEMEEHY-INIZCTEOSA-N 362.407 1.542 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1 32551930 VLYVIPZTDIXQLM-GFCCVEGCSA-N 354.453 1.716 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)c(OC)c1 32657204 NKYPRXAVHKXQIR-CQSZACIVSA-N 369.421 1.811 0 40 FDAB COC(=O)[C@]12[C@H]3[C@H]4C(=O)CC[C@@H]4[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6OC(=O)[C@@]451)[C@H]32 104285464 OBSYNFQRTLYMIV-YDPROOPWSA-N 354.402 1.444 0 40 FDAB COc1ccc(Br)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 91292774 CSAFWVFEMLMMTN-SNVBAGLBSA-N 358.188 1.773 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccnn1Cc1cccs1 102911630 HVZJTKSHEMHHGL-ZIAGYGMSSA-N 370.434 1.883 0 40 FDAB CNC(=O)C1CCN(C(=O)COc2ccccc2Br)CC1 53283594 AOHRASDFZRXOEB-UHFFFAOYSA-N 355.232 1.813 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 22549590 SGXXLJWBKGTISH-UHFFFAOYSA-N 364.409 1.565 0 40 FDAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC(=O)NC2CC2)CC1 22932992 RPCMUAGUHFGPEW-GFCCVEGCSA-N 366.412 1.188 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1)N1CCCC1 23178925 XHSFZHAUPRCXKO-QGZVFWFLSA-N 359.495 1.470 0 40 FDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 23248799 XWASETDZQMIONF-CQSZACIVSA-N 364.465 1.685 0 40 FDAB COc1ccc2nnc(CCC(=O)NCCc3c[nH]c4ccccc34)n2n1 71288228 OWFUWIYKJNEUJH-UHFFFAOYSA-N 364.409 1.906 0 40 FDAB CN(C)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 46949168 GVZAWNKCEXOJDL-CABCVRRESA-N 362.561 1.533 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(C(C)(C)C)n1N 23632296 XPZGYFUDJYIFSO-GHMZBOCLSA-N 368.507 1.786 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1 23701248 HPJDZFIBQVGRCP-MRXNPFEDSA-N 354.454 1.917 0 40 FDAB CC1CCC(NC(=O)CN(C)C2CCN(CCn3cccn3)CC2)CC1 106130458 CTHWWELQCXGTPQ-UHFFFAOYSA-N 361.534 1.974 0 40 FDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCN(C(C)=O)CC2)C1 57327902 ZBDSCEIKWXAORL-OAHLLOKOSA-N 359.426 1.271 0 40 FDAB COC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 106550058 SNNSFPBFAWIVPI-NRUUGDAUSA-N 357.229 1.866 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c1C 59746076 OVUWHHVKWQVKER-UHFFFAOYSA-N 354.472 1.481 0 40 FDAB COC(=O)C1(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)CCCCC1 25176132 QKXITFDYDOINTB-ZDUSSCGKSA-N 360.410 1.793 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 25321505 LMOSRSSLRZLEMB-RISCZKNCSA-N 356.444 1.305 0 40 FDAB O=C1N[C@@H](c2ccccc2OCC(=O)N2CCCC2)Nc2ncccc21 58140934 DRDNIWRPBUFLIL-SFHVURJKSA-N 352.394 1.937 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1C(N)=O 58158197 RGCQMTQPIQQULL-KCXAZCMYSA-N 359.426 1.530 0 40 FDAB O=C(NCCn1cnc2ccccc21)[C@H]1CCCN(c2ncccn2)C1 58191132 OAMCHFAVDWKJLA-HNNXBMFYSA-N 350.426 1.859 0 40 FDAB CN(C)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 58246435 HYKAHPZPBUSQCY-OAHLLOKOSA-N 358.394 1.651 0 40 FDAB COc1cccc(CC(=O)N2CCC(NC(=O)[C@H](C)n3cncn3)CC2)c1 58289518 GVDCREWYVCSTPO-AWEZNQCLSA-N 371.441 1.198 0 40 FDAB Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 58365678 ROWPCCRTOMIGRG-AWEZNQCLSA-N 367.471 1.305 0 40 FDAB NC(=O)c1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1 36358033 NVRBBBSEMATFCJ-UHFFFAOYSA-N 368.422 1.954 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3266829 GBRCUPHVDBHLEX-UHFFFAOYSA-N 358.379 1.295 0 40 FDAB COc1ccc(CN(C)C(=O)CSc2nnnn2C2CC2)cc1OC 8545147 CCZGOIVEDVWRBU-UHFFFAOYSA-N 363.443 1.776 0 40 FDAB CC1(C)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12768130 OTUPWHZWZNZMDB-JTQLQIEISA-N 357.204 1.519 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 48279356 LMMKTQNINDLKBA-CYBMUJFWSA-N 353.382 1.693 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 3459941 DCGDRLWWNPHLOI-GOSISDBHSA-N 358.398 1.222 0 40 FDAB C[C@@H](C(=O)NC(N)=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3410941 BZPSNLUQBNCPGD-LBPRGKRZSA-N 366.377 1.065 0 40 FDAB CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 12906650 YFHUDUGIHDFHGF-GXFFZTMASA-N 354.453 1.135 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12999600 SLDUPRMWDONTPV-UHFFFAOYSA-N 371.422 1.770 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc[nH]c2=O)CC1)Nc1ccccc1Cl 12996397 FZKDLKPNFBFHOL-UHFFFAOYSA-N 374.828 1.425 0 40 FDAB O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1CCN(CC2CC2)CC1 63779374 YMENMVCESWPQNE-QGZVFWFLSA-N 357.454 1.551 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 6114577 MNGXKBHMCKCGFI-UHFFFAOYSA-N 371.324 1.768 0 40 FDAB CN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN(Cc2ccccc2)C1 91932809 PHHTWIJGNGRNPP-GOSISDBHSA-N 356.470 1.180 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@@H]3COCc2cccnc2)n2ncnc2n1 306140749 VDBMNTCYJPUMKN-MRXNPFEDSA-N 366.425 1.640 0 40 FDAB CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 14184045 OGICNLWFNSUGPU-LLVKDONJSA-N 372.830 1.284 0 40 FDAB O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14187134 FSFZQMXGDNHRIW-QGZVFWFLSA-N 360.435 1.462 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1C 6587733 OTCFBRRKOWBTMG-UHFFFAOYSA-N 374.349 1.942 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 24470945 IYBJXVUIJVJPKW-HNNXBMFYSA-N 365.430 1.771 0 40 FDAB COCc1nnc2sc(CCCN3C(=O)c4ccccc4C3=O)nn12 6759445 QMDNRDYJZJCOII-UHFFFAOYSA-N 357.395 1.561 0 40 FDAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1C(F)(F)F 6788532 FUCCTNHOQVFYJR-UHFFFAOYSA-N 371.344 1.911 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)C[C@@H](C)O1 8727016 OAKOEHCQQFQVMV-JHJVBQTASA-N 361.471 1.994 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)Nc1ccccc1)C2=O 8988098 OGZKVZWMPBCXLY-SGTLLEGYSA-N 358.398 1.835 0 40 FDAB COC[C@@H](C)NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 9724615 JCVGNQVUPRFGRZ-GFCCVEGCSA-N 353.378 1.444 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 97127747 IUWNKJUJYZMMCU-UONOGXRCSA-N 370.457 1.477 0 40 FDAB CC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 95994269 LDKMJOBOCGPFKK-ZIAGYGMSSA-N 369.259 1.941 0 40 FDAB CC(C)CCC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961333 XNDBWLNDKBBASF-QGZVFWFLSA-N 361.490 1.496 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 9961814 IDVAGMSVXWVZLB-MRXNPFEDSA-N 357.410 1.677 0 40 FDAB Cn1ccnc1SCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 59927273 SCPPSPVPGAACIF-UHFFFAOYSA-N 350.429 1.092 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3ccsc3)C1)OC2 306139132 SQBITEJPCVPQEQ-KRWDZBQOSA-N 362.455 1.222 0 40 FDAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)c1ccccc1 32615410 XAVVYQYEQJEPBV-UHFFFAOYSA-N 372.384 1.836 0 40 FDAB CCN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 512247472 ZPFIADMRUQBTFH-UHFFFAOYSA-N 368.455 1.181 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 520592827 HIDUSUYRJJQOQL-BPUTZDHNSA-N 355.398 1.829 0 40 FDAB COc1nn(C)cc1C(=O)N1CC(=O)Nc2ccc(Br)cc21 1535492103 RQPIPPNOCNDPJE-UHFFFAOYSA-N 365.187 1.790 0 40 FDAB CCC[C@H](C(=O)O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 565106931 ZXKYBWFERPZZPX-CYBMUJFWSA-N 360.501 1.925 0 40 FDAB Cc1nn(C[C@H](O)COc2ccccc2C(C)C)c(=O)c(C(N)=O)c1C 32911933 PGFIBFPPFXSLCA-AWEZNQCLSA-N 359.426 1.522 0 40 FDAB Cc1cccc2c1ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O 49543201 BWRXTAKGZBZTPZ-CQSZACIVSA-N 360.414 1.358 0 40 FDAB biogenic Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 40111665 CLIBGOIZKNEGFD-WVMBZCLNSA-N 353.422 1.807 0 40 FDAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cnc2ccccc2c1=O 20426241 CREUWKHMVNUGJY-QGZVFWFLSA-N 363.373 1.435 0 40 FDAB biogenic NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958120 IQSHPXWMGFEOLG-SNVBAGLBSA-N 368.231 1.124 0 40 FDAB O=C(c1csnn1)N1CC[C@@]2(c3ccccc3)CN(CCO)C[C@H]2C1 96251793 YHHZOOYRORRPJZ-YJBOKZPZSA-N 358.467 1.246 0 40 FDAB Cc1ccc(N2C[C@]3(COCCN(Cc4nccn4C)C3)OCC2=O)cc1 96240091 HUCYXSMCFXMOCH-HXUWFJFHSA-N 370.453 1.363 0 40 FDAB O=C(C1CC=CC1)N1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1 96076845 KPCDTHWMZCLKNX-HXUWFJFHSA-N 357.454 1.478 0 40 FDAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(C(=O)NC3CC3)C2)C1)c1ccccc1 96225783 KHSGIZSZHBZJQH-VLIAUNLRSA-N 370.453 1.999 0 40 FDAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCc2n[nH]c(=O)cc2C1 238846403 IKUICNXSMWZGLD-LBPRGKRZSA-N 367.327 1.885 0 40 FDAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)s1 248063159 VDYQECOOJAPOLW-HNNXBMFYSA-N 360.483 1.748 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 257300226 RTOPTJIZTPLSGK-GFCCVEGCSA-N 351.403 1.511 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)COc1ccc(F)cc1)C2 253385791 UOOVAHIAJSTZSP-CYBMUJFWSA-N 371.430 1.257 0 40 FDAB CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)c2ccc(C(=O)O)cc2F)C1 630341889 OMBRGGAHHVWGOL-ZIAGYGMSSA-N 350.390 1.849 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@@](O)(C4CC4)C3)CC2)c1 661634429 ZWHXCQCPHVEZRY-QFIPXVFZSA-N 371.525 1.876 0 40 FDAB CCSC[C@H](N)C(=O)N1Cc2cnc(Cc3ccc(OC)cc3)nc2C1 67447408 MDXUCWSTVDWTTL-INIZCTEOSA-N 372.494 1.999 0 40 FDAB O=C(N[C@@H]1CC[S@](=O)C1)N1CCOc2cc(Br)ccc2C1 685938929 NSXFHVJFUNTQAC-GTJPDFRWSA-N 373.272 1.874 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cnn(C[C@H]2CCCCO2)c1 390829212 XJXQVHCWUXKMRE-OAHLLOKOSA-N 367.409 1.801 0 40 FDAB CC(C)CS(=O)(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 96374560 LPIBLCWFTQIYHG-UHFFFAOYSA-N 366.483 1.478 0 40 FDAB O=S1(=O)C[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)[C@@H](O)C1 575420919 FRQULIVXVLIEHB-CVEARBPZSA-N 373.496 1.171 0 40 FDAB O=C(c1cnccn1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093393 UCOGOZWBAWZJDU-INIZCTEOSA-N 350.369 1.587 0 40 FDAB CC(C)(C)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 676379973 DBWAHVUKHSFTMA-MRXNPFEDSA-N 373.497 1.647 0 40 FDAB Cc1cccn2c(=O)c(C(=O)N(C)C[C@@H]3CCc4nccn4C3)cnc12 681897250 SJHXLYNEZFRLIB-AWEZNQCLSA-N 351.410 1.534 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NCc1cccc(N2CCOC2=O)c1 56964036 UGAMJZFNXPPFMO-ZDUSSCGKSA-N 366.443 1.049 0 40 FDAB Cn1ccnc1[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)CCO1 632429651 PERKTDCVEXZHQD-CMPLNLGQSA-N 371.846 1.978 0 40 FDAB O=C(/C=C/c1ccco1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3235124 FYPCOXDAEGPBTD-AATRIKPKSA-N 358.350 1.414 0 40 FDAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2ccncc2)CC1 1772595191 BBSXDXOSTRETJX-LJQANCHMSA-N 369.513 1.242 0 40 FDAB O=C(COC(=O)CN1CCCCCC1=O)NCc1ccccc1Cl 5540410 AFLUNEKFLQGXGH-UHFFFAOYSA-N 352.818 1.902 0 40 FDAB CCS(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc2c(c1)OCCO2 14399867 GDGFYKYYZMXEPF-UHFFFAOYSA-N 370.471 1.776 0 40 FDAB Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1S(N)(=O)=O 15817081 LXXXBYNTRVXGJG-UHFFFAOYSA-N 357.395 1.475 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16194370 YIOQISOVXGPCHE-UHFFFAOYSA-N 356.444 1.003 0 40 FDAB O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19375473 XLKPGSRTXSPYIN-BEFAXECRSA-N 364.449 1.752 0 40 FDAB NC(=O)C1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 244986182 JJKSIFBEBJHMCC-GFCCVEGCSA-N 353.806 1.240 0 40 FDAB CCCNC(=O)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 3450415 VXMYDVKWSUUYKB-UHFFFAOYSA-N 368.850 1.640 0 40 FDAB COc1cc(OC)nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889116563 LIHMAZVQSQKMRS-UHFFFAOYSA-N 370.400 1.968 0 40 FDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)c3cscn3)[C@@H]2CN1 2037984567 FYDBDQCIRQIJNZ-XNRPHZJLSA-N 361.398 1.405 0 40 FDAB COc1cnc(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)nc1 1565555183 VNSOGHVSYPSCCU-UHFFFAOYSA-N 353.382 1.097 0 40 FDAB CCc1ncnc(N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1F 1565519526 RCBIGPVHTQRSHO-UHFFFAOYSA-N 368.420 1.818 0 40 FDAB CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152789 JZMBDVMAAAQHRL-KRWDZBQOSA-N 370.453 1.177 0 40 FDAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccon1)N1CCCCCC1 11898738 BYPCXEGGXDJVIG-HNNXBMFYSA-N 359.430 1.685 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccn(C)n2)C1 2055751038 AQCMTAHFOXSOJQ-LJQANCHMSA-N 355.442 1.595 0 40 FDAB COc1cccc(NC2(C(=O)NC3CC3)CCN(S(C)(=O)=O)CC2)c1 2055750590 IPHCACVSNZHFDC-UHFFFAOYSA-N 367.471 1.180 0 40 FDAB O=C(NCCn1cnc2ccsc2c1=O)c1cnc2ccccc2n1 225773620 OVVOEQQFUHPCLH-UHFFFAOYSA-N 351.391 1.831 0 40 FDAB CO[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 121724497 CGYSNXOTGOFPKI-HNNXBMFYSA-N 374.890 1.815 0 40 FDAB Cc1noc(C)c1C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575612999 PCWBYKNDWSFION-UHFFFAOYSA-N 368.390 1.362 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@](O)(c1ccsc1)c1ccco1 585147574 DWJXKLLZDCZBIR-KRWDZBQOSA-N 360.391 1.603 0 40 FDAB C[C@H]1CN(C(=O)CN2CCC(Oc3ccn4nccc4n3)CC2)C[C@H](C)O1 2298051617 XQNWVDMYJOELSZ-GJZGRUSLSA-N 373.457 1.208 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)C(=O)O1 19460956 APCKHURXNORNPR-IUODEOHRSA-N 358.442 1.518 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1c[nH]cn1)C=C2 96221314 SALHUBZQXJBUKP-UHFFFAOYSA-N 370.409 1.141 0 40 FDAB biogenic NC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 32096900 QUUXCXYFXISBQU-UHFFFAOYSA-N 368.798 1.867 0 40 FDAB COc1ccc(-n2ncc(N3CCC(C(N)=O)CC3)c(Cl)c2=O)cc1 2569434 KAUDUDQHDUDEBB-UHFFFAOYSA-N 362.817 1.596 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)no1 2636893 TYLCFFOTTYCMDV-GOSISDBHSA-N 354.366 1.705 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc2c(c1)CCC2 9157767 SKNSAGYQUVSWEX-UHFFFAOYSA-N 371.462 1.824 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(C(F)(F)F)s1 103194262 LYBFDKUYAROUQV-UXXCCHNYSA-N 372.328 1.303 0 40 FDAB CCOc1nc(NC(C)C)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1075803 QVLSRIAAEYQKEP-KGLIPLIRSA-N 370.457 1.876 0 40 FDAB CC(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 50419620 HJVVBQUESVBUHT-UHFFFAOYSA-N 360.382 1.424 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(OCC(=O)O)cc2)s1 105741042 LVFDJUHOJQIQPR-LHHRFCNSSA-N 361.419 1.124 0 40 FDAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)c1ccc(F)cc1 21704346 YJPOSVPEGPJTDD-UHFFFAOYSA-N 362.342 1.082 0 40 FDAB Cn1ccc2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc21 61721624 MGXRPNXWFBBYLK-MRXNPFEDSA-N 361.467 1.123 0 40 FDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccn2)CC1 26537767 XUVSOLHCDFFDDG-ZDUSSCGKSA-N 373.844 1.597 0 40 FDAB CSC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O 2112484 XFRBJSWBNHCTAA-LBPRGKRZSA-N 351.380 1.413 0 40 FDAB biogenic Cc1cc(NC(=O)CSCC(=O)N(Cc2cnn(C)c2)C(C)C)no1 58210787 UJXRWXABYXEHAM-UHFFFAOYSA-N 365.459 1.825 0 40 FDAB CN(CC(=O)N1CCCC1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 58248819 KTTPMJHAQZGCFT-UHFFFAOYSA-N 370.409 1.152 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2F)C1 58357729 KVTIQXQJHLMAHG-NSHDSACASA-N 361.414 1.261 0 40 FDAB C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)n1nnc2ccccc2c1=O 2221400 FUEXJRMNOZHKNQ-LRDDRELGSA-N 366.377 1.165 0 40 FDAB Cc1cc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)ccc1F 10552437 ZETDNVCHUOLIJK-UHFFFAOYSA-N 355.369 1.844 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 48100856 QYGZWIBBRITUEZ-JTQLQIEISA-N 359.448 1.001 0 40 FDAB O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCOCC1 20807745 OVLTXQOXZXMJLC-UHFFFAOYSA-N 374.466 1.417 0 40 FDAB O=C(NCC(F)(F)F)N[C@H]1CCCN1S(=O)(=O)c1ccccc1F 12998135 VNXDDATVBYKSDE-LLVKDONJSA-N 369.340 1.798 0 40 FDAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 13142513 SPXWQGBUBCCOSA-UHFFFAOYSA-N 367.453 1.963 0 40 FDAB CCCN1CC2=C(C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)NC(=O)N2 7778834 IWIJUUIBQBIMPW-HNNXBMFYSA-N 361.398 1.573 0 40 FDAB COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O)C(C)C 49546439 WWHLEGJWFFTUHK-SFHVURJKSA-N 373.409 1.233 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccnc3)CC2)cc1 7986534 NJNLALDSDRUQMT-UHFFFAOYSA-N 374.466 1.606 0 40 FDAB CCN(C(=O)c1ccncc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7986459 MQGJADLNJRXTGY-UHFFFAOYSA-N 365.393 1.229 0 40 FDAB CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(C)C 8088255 MQMHWWZEQLCRJS-INIZCTEOSA-N 369.487 1.815 0 40 FDAB C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5226266 UUPDJFHVXGUSAA-PBHICJAKSA-N 370.405 1.941 0 40 FDAB O=C1c2ccccc2C(=O)N1CCSc1nnnn1C[C@@H]1CCCO1 14183112 JLXXXLPNHBDOJL-NSHDSACASA-N 359.411 1.240 0 40 FDAB C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242380 CRAFPBWLNWHFJY-MQQKCMAXSA-N 356.394 1.930 0 40 FDAB COc1cccc(CNC(=O)c2nnn(Cc3cccc(F)c3)c2N)c1 4852563 SGFIPQMAVBPTLP-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1 15098822 AZNYVDCZAGXZAP-UHFFFAOYSA-N 370.377 1.908 0 40 FDAB Cc1cc(C)c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 4943434 OBBQLTIMKKEQCH-UHFFFAOYSA-N 369.425 1.388 0 40 FDAB NC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CCC2 8342682 ROMVDNAJXPRQAX-UHFFFAOYSA-N 364.456 1.388 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1COc2ccccc2O1 7047854 UYWGNINDMDMFFL-ZDUSSCGKSA-N 373.409 1.197 0 40 FDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccccc1Cl 8719580 DJUYWDRZFHOQNO-UHFFFAOYSA-N 372.606 1.269 0 40 FDAB Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(C)(C)C)CC3)C2=O)n(C)n1 96002434 DMBKOWGHMCGXQI-OAHLLOKOSA-N 361.490 1.414 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cn1 9315229 VNBOEWHGAZURIA-UHFFFAOYSA-N 362.367 1.172 0 40 FDAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 76019139 MZOQBAKDMIRPGU-RYUDHWBXSA-N 361.366 1.754 0 40 FDAB O[C@@H](COc1ccc(F)cc1)Cn1cnc2c(N3CCOCC3)ncnc21 95397137 OREJANRAANNMKQ-CQSZACIVSA-N 373.388 1.242 0 40 FDAB COCCn1cc(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 79479799 BUVYVFKFSQSAEP-AWEZNQCLSA-N 350.440 1.134 0 40 FDAB COc1ccc(S(=O)(=O)NCCO)cc1NC(=O)c1ccccc1 408552559 QVRMUZUGXXSNLY-UHFFFAOYSA-N 350.396 1.218 0 40 FDAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)cc1 306139877 UDJFGDOKYHALKE-CVEARBPZSA-N 369.469 1.729 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1 22362719 MGDOWMYFYRADJK-WBVHZDCISA-N 374.437 1.732 0 40 FDAB COc1cc2c(cc1OC)CCN(C[C@H](O)COC[C@@H]1CCCO1)CC2 517856186 HOLYVZWZSPWGMM-ROUUACIJSA-N 365.470 1.661 0 40 FDAB O=C([C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCCN(c2cccnn2)CC1 527487276 GYUGSMQDSXORPL-RJZRQDKASA-N 370.375 1.871 0 40 FDAB COc1ccc(-c2c3c(=O)n(-c4ncn[nH]4)ccc3nc3ncnn23)cc1 32090713 RJKJWVGBJMFWFY-UHFFFAOYSA-N 360.337 1.222 0 40 FDAB COCCNC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327859 GZAXPEXXSSPCNY-UHFFFAOYSA-N 357.454 1.987 0 40 FDAB CC(C)N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 40087931 CBCRRPSTSYBISD-LBPRGKRZSA-N 370.413 1.498 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 224328031 JCCRKRZQPBMBGH-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB COc1cncc(O[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 225501531 JFMCOWCGQNWVAH-LBPRGKRZSA-N 350.400 1.112 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCCC2)s1 225557494 UKHCPGBBXXDUDE-UHFFFAOYSA-N 364.518 1.841 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3cccnc3)C2)CN1c1ccc(F)cc1 96240130 DGEQCNVMLOZRNE-FQEVSTJZSA-N 371.412 1.855 0 40 FDAB CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc3cnccc23)C1 332242514 VUBCDFINZTYXJN-CQSZACIVSA-N 362.455 1.659 0 40 FDAB COCCN1CCO[C@@H]2CN(C(=O)Cc3cccc(F)c3)CC[C@@H]2C1 96249609 PQVJYUGKNWHHOQ-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB CN(C)CC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(C(=O)O)c2)[C@H]1O 257331193 XRTPHPDBBCFELF-VYDXJSESSA-N 350.415 1.066 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnc(C(C)(C)C)nc1 585085500 JCFARGPUKPPGEV-UHFFFAOYSA-N 374.466 1.885 0 40 FDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H](c3nc(O)n[nH]3)C2)n1 585080940 APBCIDKXCVFVNO-MRVPVSSYSA-N 357.340 1.769 0 40 FDAB CC(C)Cc1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)on1 257305112 SOMCFTOVWCTOAY-BFYDXBDKSA-N 351.447 1.217 0 40 FDAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 257271672 MZHPFAIJIGNWIE-CYBMUJFWSA-N 354.410 1.925 0 40 FDAB O=c1[nH]c2cc(S(=O)(=O)N3CC[C@H]4NCCCCC[C@H]43)ccc2o1 257295860 RAEHGKJNASWIGH-TZMCWYRMSA-N 351.428 1.416 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cn1C 269334125 CYCWHNWPUHYXNQ-BHYGNILZSA-N 359.451 1.391 0 40 FDAB O=C1CC[C@@H]2CN(C(=O)[C@@]34CCC(=O)N3c3ccccc3S4)CC[C@H]2N1 618214511 DOFCOBIFUSNWKU-VPZZIHKRSA-N 371.462 1.743 0 40 FDAB COc1ccnc(N2CCN(C[C@@H]3CCO[C@H]3c3nccn3C)CC2)n1 667497405 ADVNUOMVKBZHHQ-GOEBONIOSA-N 358.446 1.119 0 40 FDAB CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 90611907 FBPKDBQIEVGCGO-OAHLLOKOSA-N 371.393 1.270 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)ccc2C)Cc2ccnn21 585112841 WACTWOFBNGAUCM-SFHVURJKSA-N 362.499 1.996 0 40 FDAB Cc1cccc(CC(=O)N2CCOC[C@](O)(COc3ccccc3)C2)n1 585276158 DDQDODXFFNBPGZ-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)CCn2ccnc2)C1 585276636 GTCKXVGPQWFYLA-LJQANCHMSA-N 359.426 1.251 0 40 FDAB Cc1ccc(C)c(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)c1 585105380 VQXMVPLRRGMBDS-INIZCTEOSA-N 352.500 1.834 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)Cc3cccnc3)C2)c1 585268962 FSULVKZITZXOQU-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCOCC3)C2)ccc1F 585282164 HUOYWOBSPRHPBY-IBGZPJMESA-N 369.433 1.118 0 40 FDAB COc1ccc(CNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1OC 56342604 OLYNIEUIIZRGHU-UHFFFAOYSA-N 373.413 1.501 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)c1 97134748 HOZZFMLZRMIDHC-HNNXBMFYSA-N 351.380 1.808 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12154026 DEUPTDXGJGCKBQ-AWEZNQCLSA-N 356.386 1.649 0 40 FDAB O=C(Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O)NC1CC1 14001147 ALZXTZFSGWQGLU-UHFFFAOYSA-N 361.199 1.919 0 40 FDAB Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)NCc1ccccc1 14076098 ZTSZRISVSJKMLT-UHFFFAOYSA-N 358.467 1.920 0 40 FDAB CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 19501932 IMXZCCMLTLTWFV-OAHLLOKOSA-N 358.446 1.539 0 40 FDAB Cc1c(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)cnn1C 19553220 HASITLCCVGRZPX-UHFFFAOYSA-N 351.410 1.985 0 40 FDAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 19706144 LPCQYDOMDUCSAF-OAHLLOKOSA-N 370.457 1.999 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 225463619 NPEPQPOHKRIFOF-HUUCEWRRSA-N 366.487 1.413 0 40 FDAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1C[C@H](C)O[C@@H](C)C1 4304847 DRQOMWRTPNVOQQ-STQMWFEESA-N 365.455 1.466 0 40 FDAB NCC1(C(=O)N2CCn3c(Cc4cccc(F)c4)nnc3C2)CCCC1 653178566 FKMBKKOBJBJSOR-UHFFFAOYSA-N 357.433 1.869 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 244986168 JIWBKCZQIKDILI-HYVNUMGLSA-N 367.467 1.475 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888860377 PPPVWEDQCANBLC-LZWOXQAQSA-N 367.453 1.229 0 40 FDAB Cc1cc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)on1 1888869396 HCTLTCCJVGHHCO-IRXDYDNUSA-N 361.467 1.877 0 40 FDAB O=c1c(=O)n(Cc2cc(=O)n3ccccc3n2)ccn1Cc1ccccc1 1888913456 LGUQELIHOJKVQD-UHFFFAOYSA-N 360.373 1.115 0 40 FDAB Cc1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(N2CCCC2)n1 1889108577 VVFBTJJCKOTHSC-UHFFFAOYSA-N 365.485 1.991 0 40 FDAB O=C(NC1CCOCC1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1889136091 CCXLWXRWRTUZDN-GJZGRUSLSA-N 357.458 1.611 0 40 FDAB C[C@@H](Oc1cccc(F)c1)C(=O)N(C)C1CN(c2ccc3nncn3n2)C1 1565520201 IYBOWBKDPZNIQO-GFCCVEGCSA-N 370.388 1.378 0 40 FDAB COc1ccc(C(N)=O)cc1S(=O)(=O)N1C[C@@H](c2ccccc2)CC1=O 1440685 UVIVXXOYRZZKSL-AWEZNQCLSA-N 374.418 1.499 0 40 FDAB COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1OC 4249795 XGXHBBBHNUQPJP-UHFFFAOYSA-N 361.383 1.166 0 40 FDAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O 10619211 XIIDTZAZNDGBAI-UHFFFAOYSA-N 358.375 1.124 0 40 FDAB CCOC(=O)CCC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575610959 CQVUOKHNKPVQQD-UHFFFAOYSA-N 359.379 1.238 0 40 FDAB COc1cccc(C(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)c1 19564811 SMUJQEIRFWERKL-CQSZACIVSA-N 366.425 1.342 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)c1C 30779873 VCKXLUHLHLDKMW-QGZVFWFLSA-N 365.499 1.376 0 40 FDAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325709 FSGOMNJQDGMHSH-MLGOLLRUSA-N 372.512 1.984 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 2731003 AWQRVDDVOPEJRR-CQSZACIVSA-N 353.440 1.652 0 40 FDAB O=C(c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCCC1 3911172 AOCKBYFLTPKJCU-KBPBESRZSA-N 365.480 1.603 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 6679686 KHYLABZYLPBPTP-UHFFFAOYSA-N 373.390 1.172 0 40 FDAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(C)C1CCN(C)CC1 7458549 OJEQTBWTUADMQC-UHFFFAOYSA-N 374.416 1.546 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 32777771 LBEQJKCLDHQACQ-IJLUTSLNSA-N 373.500 1.759 0 40 FDAB O=C(NCCNc1ncccn1)c1ccc(I)cc1 32913536 POLCBJBUYYYENA-UHFFFAOYSA-N 368.178 1.923 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 102699533 MEACFAGMDIVMDW-STQMWFEESA-N 364.409 1.957 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccccn2)CC1 33238100 DEMNJJUKQTVCND-UHFFFAOYSA-N 373.478 1.833 0 40 FDAB COc1ccccc1CCNC(=O)Cn1cnc2cc(F)ccc2c1=O 8506829 GKZMFUSUKGQPES-UHFFFAOYSA-N 355.369 1.903 0 40 FDAB O=C1CC2(CCN(C(=O)C3CCOCC3)CC2)CN1Cc1ccncc1 108526339 PBTNKHXPRXLRAE-UHFFFAOYSA-N 357.454 1.849 0 40 FDAB CCN1C(=O)C[C@@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C1=O 103462954 RCAKGRTYKNLUTO-MRXNPFEDSA-N 357.454 1.256 0 40 FDAB O=C(NC[C@H](O)COc1ccccc1)C(=O)Nc1cccc2cccnc12 42002608 YFNBXXFIDOHVKE-HNNXBMFYSA-N 365.389 1.729 0 40 FDAB NC(=O)[C@@H]1CCCN1CC[C@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O 20463007 WXAHMXZPFIZPOT-JYJNAYRXSA-N 365.474 1.066 0 40 FDAB biogenic,in-vitro O=C([C@@H]1CC=CCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23541354 BMWDGTZAYKKUOH-CRAIPNDOSA-N 356.422 1.854 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25556412 IHCNCPIZRNMLJR-OAHLLOKOSA-N 353.444 1.075 0 40 FDAB COc1ccc(CC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC 36358845 HNOSDIGNRHPRGU-UHFFFAOYSA-N 369.381 1.869 0 40 FDAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)NC1CC1 3247815 GTFXZQMPDUANBA-HNNXBMFYSA-N 372.446 1.911 0 40 FDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(Br)cc1 3311457 XDPOOLCZXAWEOL-UHFFFAOYSA-N 351.156 1.878 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCn3cccc3[C@@H]1C)C2=O 12871982 PKJMGGUSMNASIB-BIWSTMPVSA-N 373.457 1.397 0 40 FDAB COc1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc(OC)c1OC 12819194 KKMCFIWDPMYENV-UHFFFAOYSA-N 372.377 1.973 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccc(OC(F)F)c2)NC(=O)NC1 12927410 WDGGXBWOKGBTTK-UHFFFAOYSA-N 370.308 1.575 0 40 FDAB COc1ccc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 3553047 KMPZDKYCOQRVQJ-UHFFFAOYSA-N 368.349 1.719 0 40 FDAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 13183385 FVJLAWVZWGGFEV-OAHLLOKOSA-N 360.391 1.676 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 13195581 VTDWLPVEBQHJBH-AWEZNQCLSA-N 363.391 1.952 0 40 FDAB C[C@@]1(NC(=O)c2[nH]nc(C3CC3)c2Br)CCS(=O)(=O)C1 49221185 ATZXIEZNUHZSJO-GFCCVEGCSA-N 362.249 1.357 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 6552413 YMPXKKFZIRNCSU-UHFFFAOYSA-N 362.407 1.960 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6651863 WBXNYWPNMYJALZ-GFCCVEGCSA-N 367.361 1.128 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 8735398 FVCCUVDKUFQKKB-UHFFFAOYSA-N 361.417 1.369 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 14513100 BTOUQGMUTRLRNT-GFCCVEGCSA-N 364.427 1.351 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)OCc1ccccc1 15950913 CQMMTWBDSZEJAO-UHFFFAOYSA-N 351.362 1.256 0 40 FDAB C[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 71333279 KSZHFCIMGYWOGB-GFCCVEGCSA-N 351.362 1.653 0 40 FDAB O=S(=O)(NC1=NCN(Cc2ccco2)CN1)c1ccc(Cl)cc1 19959315 OZLZLBSMMKQLTN-UHFFFAOYSA-N 354.819 1.588 0 40 FDAB CC(C)[C@@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 96936877 JFGHDVGFXKMZGX-GDBMZVCRSA-N 358.891 1.930 0 40 FDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 76069905 ITXUHYLGXNYKGD-OCCSQVGLSA-N 350.394 1.438 0 40 FDAB O=C(Cc1ccc2ccccc2c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 84605836 IMGLEOFKGXEBLT-RBUKOAKNSA-N 372.490 1.760 0 40 FDAB CCN(C(=O)c1cc(Cl)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 84761200 KHTFYWQPIXQCCH-CYBMUJFWSA-N 371.890 1.984 0 40 FDAB COc1ncccc1CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999929 FRABHJUACXDNEQ-UHFFFAOYSA-N 361.423 1.034 0 40 FDAB CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[C@H]1S(C)(=O)=O 79110784 HDKWOZURGSJGEI-UONOGXRCSA-N 374.484 1.520 0 40 FDAB Cn1nccc1N1CCC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)C1=O 555748140 JDZQAYSUOGAJTB-AJNGGQMLSA-N 371.441 1.511 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c(OC)cn3C)c2c1 72325170 UUYDQGJMXHPVKA-UHFFFAOYSA-N 355.394 1.856 0 40 FDAB biogenic C[C@@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC[S@]1=O 532967761 HLDHMCNWDQVVTF-ZZDSUILFSA-N 350.423 1.289 0 40 FDAB COc1ccc(CCNC(=O)Cn2c(=O)n(C)c3ncccc32)cc1OC 72346868 HREPFJWCHFUGFN-UHFFFAOYSA-N 370.409 1.111 0 40 FDAB CC(C)NC(=O)[C@@H]1CN(C[C@@H]2CCOC2)C[C@]12Cc1ccccc1C(=O)N2 72334467 WIYGCFADBQIUOZ-UQASEVPWSA-N 371.481 1.204 0 40 FDAB CCCCn1nnnc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 32741684 OZMHHODXHOGUAN-UHFFFAOYSA-N 352.416 1.375 0 40 FDAB NC(=O)NC(=O)COC(=O)c1ccccc1SCc1cscn1 32902170 SHGXINCTEUGCQW-UHFFFAOYSA-N 351.409 1.787 0 40 FDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1cccnc1O 564089549 XMNCXZFNBIMPCM-GUYCJALGSA-N 352.394 1.664 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13382033 NVVNHYDQXQRFEH-CUAHWVMCSA-N 356.400 1.478 0 40 FDAB biogenic CCN1CCN(CCCNC(=O)c2cncc(Br)c2)CC1 41443361 NZBLKFSSGMIVDW-UHFFFAOYSA-N 355.280 1.602 0 40 FDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)O)C1 96198754 YCWCCJBFWWJMDM-NVXWUHKLSA-N 356.426 1.610 0 40 FDAB COCCn1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21 95475585 YLWCEOBBELZZOR-UHFFFAOYSA-N 365.455 1.005 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@]2(O)CCSC2)cs1 583623115 RODXFLUSNKVEON-WHOFXGATSA-N 359.492 1.348 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144717 QUZBLBHSQZLMNS-HNNXBMFYSA-N 354.410 1.159 0 40 FDAB Cc1ccc(C(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)cc1F 248089497 GLFIVBYRUHKXHA-AWEZNQCLSA-N 366.418 1.077 0 40 FDAB Cn1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 248165058 ZJKCJYRSXMGFHF-SFHVURJKSA-N 357.458 1.245 0 40 FDAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257304872 SNLYCOOYHPGBPA-ZDUSSCGKSA-N 350.448 1.509 0 40 FDAB CN(c1ccncn1)C1CC2(CCN(C(=O)CCCn3ccnc3)C2)C1 257246097 ISMNTLJTGLWDJY-UHFFFAOYSA-N 354.458 1.971 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1CCOc1ccccc1 257325821 WUOIYWDCBLGSJD-AWEZNQCLSA-N 351.428 1.266 0 40 FDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257226678 FLQSPVVXHZLGJQ-CQSZACIVSA-N 350.448 1.129 0 40 FDAB COc1ccc(Cl)cc1CN1CCO[C@H](CN(CC(=O)O)C(C)=O)C1 648048958 VVMOEEQIRHZVHF-HNNXBMFYSA-N 370.833 1.483 0 40 FDAB O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCCc2ccco2)C1 680857650 NYLTZBCYRLONKK-MRXNPFEDSA-N 354.472 1.923 0 40 FDAB COCc1ncc2c(n1)CCN(C(=O)c1c[nH]nc1[C@H]1CCCCN1)C2 685941649 FMKLMYNTSIWIBF-OAHLLOKOSA-N 356.430 1.359 0 40 FDAB CO[C@@H]1CN(Cc2nnnn2-c2c(C)cccc2C)C[C@H]1c1cnn[nH]1 621320163 CRPOWIBFXKDXAK-DZGCQCFKSA-N 354.418 1.012 0 40 FDAB COc1ccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cc1 585112219 LOKIZGLFAMYLAX-INIZCTEOSA-N 364.471 1.388 0 40 FDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccc2)C1 585290591 CZESVDOFIAJBMS-IRLDBZIGSA-N 368.477 1.386 0 40 FDAB Cc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941692 FZPHAWKWULFNPG-DOTOQJQBSA-N 355.398 1.421 0 40 FDAB CCCNC(=O)CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 56194713 MDQAXJUVGAWNSF-CYBMUJFWSA-N 364.421 1.712 0 40 FDAB COc1cccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 56998095 JLUNFUVHTWILEU-JKSUJKDBSA-N 352.456 1.165 0 40 FDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 67681041 MDCHAURDPUNJEY-OAHLLOKOSA-N 352.456 1.768 0 40 FDAB C[C@H](NC(=O)Cn1nc(C(N)=O)ccc1=O)c1ccc2ccccc2c1 58343888 UZJVBDBHODMWQE-LBPRGKRZSA-N 350.378 1.373 0 40 FDAB Cc1csc2nc(CNc3ccccc3C(=O)NCCO)cc(=O)n12 84271442 QOKPTGMNJDMMHB-UHFFFAOYSA-N 358.423 1.399 0 40 FDAB COc1ccccc1OCCN(C)C(=O)c1cnc(N2CCOCC2)nc1 12290609 RLIFNVGXLACZRI-UHFFFAOYSA-N 372.425 1.473 0 40 FDAB COC(=O)[C@@H]1CCCCN1C(=O)CCCN1C(=O)c2ccccc2C1=O 12799041 LAMBFIPEMZWYSZ-HNNXBMFYSA-N 358.394 1.617 0 40 FDAB COC(=O)c1ccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)cc1 13602644 KEHZMXDMVYZURE-UVTDQMKNSA-N 362.407 1.799 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(OC)c1 16400914 XSSFCYRHNMGEJR-GOSISDBHSA-N 373.365 1.703 0 40 FDAB Cc1ccc(-n2ncc3c2N(CC(=O)NC2CC2)C(=O)N2CCN=C32)cc1 19213420 MZQPEWXJFJQYMV-UHFFFAOYSA-N 364.409 1.462 0 40 FDAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1CC12CCCC2 531617728 JPOJZHJYWGFGNZ-OAHLLOKOSA-N 366.483 1.496 0 40 FDAB CN(C)[C@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 32202808 WTQMLUAHSJIXBO-GOSISDBHSA-N 365.437 1.601 0 40 FDAB CCOC1(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)CCOCC1 1775958062 ABFWBVLPJOENIV-LSDHHAIUSA-N 355.431 1.443 0 40 FDAB Cn1cccc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)c1=O 244975098 IBLDOVAZWXQYKQ-UHFFFAOYSA-N 366.406 1.482 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4csnn4)C[C@@H]32)CC1 1565547579 LOCHUKXZHWKESA-GXTWGEPZSA-N 370.482 1.976 0 40 FDAB CN(C)CCN1CC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)OCC1=O 1565551711 JPYFLAAHSOWWHU-QAQDUYKDSA-N 365.518 1.594 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1 807137 MAMOWEZJJOSHHT-UHFFFAOYSA-N 363.377 1.800 0 40 FDAB aggregator COc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1 4338847 JPFWLGPTKFZDCV-UHFFFAOYSA-N 363.424 1.594 0 40 FDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N[C@H](C)CC)n1 9037983 WDUCTYULXOFUFQ-SNVBAGLBSA-N 360.418 1.070 0 40 FDAB Cc1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134160 YWENWSGIFXJUPZ-UHFFFAOYSA-N 362.437 1.929 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2nc(-c3cnccn3)no2)n1 42381542 NNVOKJGINKHKSA-UHFFFAOYSA-N 360.355 1.341 0 40 FDAB C[C@@H]1CN(C(=O)CN2CCC(Oc3ccn4nccc4n3)CC2)C[C@@H](C)O1 2298051618 XQNWVDMYJOELSZ-HUUCEWRRSA-N 373.457 1.208 0 40 FDAB Cc1nnc2c(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)nccn12 2298194494 SGVQLXVUVVQOSR-ZDUSSCGKSA-N 364.400 1.907 0 40 FDAB O=C([C@@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1)N1CCOCC1 9980648 WTHOEFROHCCKCK-GOSISDBHSA-N 371.481 1.537 0 40 FDAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 40152685 FBAQSDHVERHLII-UHFFFAOYSA-N 370.452 1.752 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116799 HBLLAXSHENCWTN-OAHLLOKOSA-N 357.332 1.997 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCO1 50843365 XLQGGOFONJUGHD-LJQANCHMSA-N 365.433 1.576 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1C 3479920 SKSZHGYFZBVANH-UHFFFAOYSA-N 361.354 1.610 0 40 FDAB CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CCOC 4161348 ZKASZROFTYESQJ-UHFFFAOYSA-N 370.862 1.995 0 40 FDAB Cc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)c1ccco1 45973535 QIEOZRLYROZCAY-UHFFFAOYSA-N 357.410 1.902 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1C[C@H](c1cccs1)N1CCOCC1 32816904 TUPYZDJKOYFJOC-OAHLLOKOSA-N 357.435 1.825 0 40 FDAB COc1cc(/C=C/C(=O)N2CCn3cccc3[C@H]2C)ccc1OCC(N)=O 46356669 CGJKTBXWSHFGRA-IZPAUZPXSA-N 369.421 1.977 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 101183371 RHEZTYQRAMSEBZ-HDICACEKSA-N 367.449 1.282 0 40 FDAB Cc1noc(N)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 10802818 YDYPPJYWVUYWHK-UHFFFAOYSA-N 358.354 1.253 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCn2nnc3ccccc3c2=O)on1 21916099 ONNIZBJBSPZCJX-NSHDSACASA-N 371.353 1.048 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)CSc2cnc3ccccc3n2)n1 21977706 IMGJOLBYIAORIQ-UHFFFAOYSA-N 371.426 1.299 0 40 FDAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 22024835 YZIZUIKCOVMDGM-QAPCUYQASA-N 369.421 1.955 0 40 FDAB CCn1cc(CNCCNC(=O)c2nc(-c3ccc(F)cc3)no2)c(C)n1 2733837 IAYUUIYTQPINEE-UHFFFAOYSA-N 372.404 1.920 0 40 FDAB COc1ccc(Cl)cc1CN1CCN(CCNS(C)(=O)=O)CC1 107298577 BNRIGEDDFJJJDO-UHFFFAOYSA-N 361.895 1.015 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2Cl)n1 102015045 HBVYMVMNUDDMMT-XUXIUFHCSA-N 358.785 1.647 0 40 FDAB CS(=O)(=O)Nc1ccccc1CNC(=O)C[C@H]1OC(=O)c2ccccc21 46713923 FLFHTSAFGWKLTQ-MRXNPFEDSA-N 374.418 1.976 0 40 FDAB COC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 713187 AMJHCOISINQYKP-CQSZACIVSA-N 350.396 1.204 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22782515 REZPKECDTIQOSV-ZDUSSCGKSA-N 364.877 1.563 0 40 FDAB COc1ccc(OC)c(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1 886684 HHTXJJPRTQUYDN-UHFFFAOYSA-N 368.411 1.379 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 23081913 HHAYAVCKKCAWRS-CQSZACIVSA-N 363.458 1.895 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1ccccc1 23466409 IUHCXOXBRQLSFD-GOSISDBHSA-N 365.433 1.842 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1C 69604101 LSQPBAVFSFKRLR-AWEZNQCLSA-N 373.496 1.550 0 40 FDAB O=C(CN1CCN(CC(=O)Nc2ccc(O)cc2)CC1)Nc1ccccc1 24249878 DRXWVIVRDKFTCS-UHFFFAOYSA-N 368.437 1.587 0 40 FDAB C[C@]1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCS(=O)(=O)C1 24369588 ANPMTXUBJRAWGJ-NSHDSACASA-N 373.374 1.441 0 40 FDAB C[C@@H](OCC(F)(F)F)C(=O)NCCNS(=O)(=O)Cc1ccccc1 43045110 JSESSXIORYJICT-LLVKDONJSA-N 368.377 1.190 0 40 FDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NCCN1CCc2ccccc2C1 57155253 BRQVAMXDQISUJO-UHFFFAOYSA-N 373.403 1.869 0 40 FDAB Cn1c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O 57364766 RMFZTTIXORIGJM-OAHLLOKOSA-N 357.410 1.192 0 40 FDAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CCOCCO 58081143 KJJDCCXYCCMZKG-UHFFFAOYSA-N 358.847 1.758 0 40 FDAB COc1ccc(Cl)cc1C1(CN[C@@H](C)C(=O)NC(N)=O)CCOCC1 58162796 HWSCSYYWWICTJT-NSHDSACASA-N 369.849 1.570 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3C2)CC1 58172374 QCAWMZCDFODHKH-UHFFFAOYSA-N 359.473 1.125 0 40 FDAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cnccn2)CC1 27630598 HDIGWDYBLYWMKI-INIZCTEOSA-N 351.454 1.967 0 40 FDAB O=C(CCN1CCN(c2cnccn2)CC1)NC(=O)NCc1ccccc1 27635523 UHSBRHPNBPGKMQ-UHFFFAOYSA-N 368.441 1.015 0 40 FDAB O=C(c1cc(Cl)ccc1O)N1CCN(S(=O)(=O)N2CCCC2)CC1 45069193 JIOXMBFWIWHMOL-UHFFFAOYSA-N 373.862 1.144 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCCC1 36226855 IBXUQADUTWVJOY-UHFFFAOYSA-N 365.499 1.396 0 40 FDAB COc1cc(CC(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC 3301993 RBDQVOHJFRYOCE-UHFFFAOYSA-N 363.366 1.708 0 40 FDAB COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 3359508 SMXFXDMPGBVHCQ-UHFFFAOYSA-N 362.451 1.988 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1 5008456 XCAYQGMEILPQTC-ZDUSSCGKSA-N 370.471 1.629 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 14093640 YGOHWCAWADOJFZ-QMMMGPOBSA-N 365.791 1.240 0 40 FDAB CCn1nnnc1SCC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 14093822 IVMAOWMJBQPWJA-UHFFFAOYSA-N 373.446 1.325 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 14164804 JNUCLJGYNRXOPF-BTDLBPIBSA-N 353.369 1.893 0 40 FDAB COCCCn1c(SCC(=O)NC(=O)Nc2ccccc2)n[nH]c1=O 7301231 GIHIFGOUENCGJS-UHFFFAOYSA-N 365.415 1.048 0 40 FDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 92385678 IKMZMHBWUDFMEM-ZDUSSCGKSA-N 370.375 1.655 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 8889580 LCOBXGSKDNXXNW-IBGZPJMESA-N 359.426 1.865 0 40 FDAB C[C@@H](c1cccnc1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005406 PSRVJIIGIRAZRH-ZDUSSCGKSA-N 351.472 1.805 0 40 FDAB Cc1noc(C)c1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96113978 KDTYBGKPZZSWPC-HNNXBMFYSA-N 356.382 1.439 0 40 FDAB biogenic CCCCc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1 96988758 YKQHFIVYKFMESP-UHFFFAOYSA-N 356.434 1.411 0 40 FDAB COC(=O)C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)C)c1ccccc1 72309182 NMOSASUQYWBFMS-AWEZNQCLSA-N 358.398 1.823 0 40 FDAB O=C(Cn1nc2c(Cl)cccn2c1=O)N1CCC[C@@H](C(F)(F)F)C1 95966015 RHSBHBSVELSJAB-SECBINFHSA-N 362.739 1.950 0 40 FDAB Cc1cc(C)cc(OCCOC(=O)C2CCN(S(C)(=O)=O)CC2)c1 9985282 MNXFVAFHCXVMJL-UHFFFAOYSA-N 355.456 1.897 0 40 FDAB CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 21325773 POEWAGSONBRTKC-UHFFFAOYSA-N 354.353 1.496 0 40 FDAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2ccc(C)cc2)c1 408550133 ABNNIWBIFDYZJI-UHFFFAOYSA-N 371.393 1.706 0 40 FDAB Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)cn1C 524731708 IDFYPAWJLIFNEU-DLBZAZTESA-N 361.486 1.795 0 40 FDAB biogenic Cc1cccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)c1 38486409 VYSJBRBEZBLTDL-UHFFFAOYSA-N 355.394 1.418 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCn1cnc2ccccc2c1=O 36370037 LYYLLAINFCQINH-AWEZNQCLSA-N 363.439 1.198 0 40 FDAB biogenic COC(=O)[C@H](C)N(C(=O)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 32641353 NXKGBDVJGVVZIX-WCQYABFASA-N 373.858 1.460 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ncccn2)CC1 34895993 AZDOEVVHTKZKER-AWEZNQCLSA-N 360.462 1.146 0 40 FDAB CSCC[C@@H]1NC(=S)N(Cc2ccc(Cn3cncn3)cc2)C1=O 32778503 ITXGTWFOCBEHGD-AWEZNQCLSA-N 361.496 1.665 0 40 FDAB CCNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1N 62006772 SJEGNGNWIDNUBH-UHFFFAOYSA-N 373.482 1.746 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc(Cl)cc1 224222065 NEDHVZQNTOAMGR-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB O=c1onc(-c2ccccc2)n1C[C@@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O 572404264 CLSGCOPVSCZXGY-RYQLBKOJSA-N 367.405 1.112 0 40 FDAB CC(C)CN1C[C@@H](C(=O)Nc2nc(Cc3ccc(F)cc3)n[nH]2)CC1=O 95474858 WMBFZJPGIDETSO-ZDUSSCGKSA-N 359.405 1.978 0 40 FDAB CN(CCCN)C(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 577829384 JJPRLQIWXQOBMZ-UHFFFAOYSA-N 369.347 1.637 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(C(=O)N1CCCC1)C2 96056989 UPJBOSCZWWZNOP-QAPCUYQASA-N 353.463 1.178 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)c1cnc2sc(C)c(C)n2c1=O 95472101 YNEUVPIXTYUQSB-LLVKDONJSA-N 369.468 1.397 0 40 FDAB Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@]3(CNC(=O)C3)C2)s1 96035997 RCUCCOIOAOQZSC-GOSISDBHSA-N 364.515 1.798 0 40 FDAB CC(C)n1cc([C@@]2(O)CCCN(Cc3nnc(C4CCC4)n3C)C2)nn1 583615088 HNAUVNKFUGXJAN-GOSISDBHSA-N 359.478 1.739 0 40 FDAB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN(C(=O)C1CCOCC1)CC2 96254085 KMEBVDNOAWTXHR-UHFFFAOYSA-N 370.457 1.254 0 40 FDAB CS(=O)(=O)CCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247501190 FPIQBRAJQQSGRB-NSHDSACASA-N 374.459 1.121 0 40 FDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 242548107 LDAHIZNWKILVRD-FMKPAKJESA-N 371.480 1.625 0 40 FDAB CN1CCN(c2ccc(C(=O)N[C@@H]3CCC(=O)NC3(C)C)cc2F)CC1 585080446 TVHLQYBQIYRRAE-MRXNPFEDSA-N 362.449 1.365 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)CCn3nnc4ccccc43)CCO2)n1 257206347 BCYDUILRFHPPTI-MRXNPFEDSA-N 354.414 1.463 0 40 FDAB CC1=C(C(N)=O)CC2(CCN(C(=O)CCc3csc(N)n3)CC2)O1 257272120 NBDUBZMUFRUDFI-UHFFFAOYSA-N 350.444 1.199 0 40 FDAB Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCN(C)C[C@H]1C(C)C 1605518840 JHQKIORRWLYPTB-KRWDZBQOSA-N 356.474 1.825 0 40 FDAB O=C(CCc1nc(C2CCCC2)no1)N1CCN(C[C@H]2CCCO2)CC1 675547789 KNIBAXIHMAWSIR-MRXNPFEDSA-N 362.474 1.983 0 40 FDAB O=C(C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1)N1CC(F)(C2CC2)C1 585101332 YTJROHZJUCSEGV-KRWDZBQOSA-N 359.405 1.552 0 40 FDAB C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1cnccn1 585097509 KUWAGYBJZNYWIT-CYBMUJFWSA-N 368.441 1.491 0 40 FDAB O=C(N[C@@H]1CC[C@@H](F)C1)c1nc2c(o1)CCN(C(=O)[C@H]1CCCO1)C2 585111410 ABVYLEYBORRKSV-JTNHKYCSSA-N 351.378 1.359 0 40 FDAB O[C@@H]1C[C@@H](c2nnc3n2CCOC3)C[C@@H]1CNc1ncnc2c1CCC2 685940979 MRJWRZPDGQLQQI-YWPYICTPSA-N 356.430 1.054 0 40 FDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1 12142955 KWLCTLYUGJRPNZ-UHFFFAOYSA-N 370.457 1.375 0 40 FDAB O=C(c1cncnc1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156092 HJUPSOWZLAIXOS-UHFFFAOYSA-N 353.361 1.747 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCC(O)CC2)sc2c1CCCC2 13010697 DWKSDLLFAQBCLI-UHFFFAOYSA-N 352.456 1.809 0 40 FDAB O=C(c1cccs1)N1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 19342718 BGSQTQDUPOZDEH-GFCCVEGCSA-N 355.427 1.744 0 40 FDAB CCn1cc(CN2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cn1 19524978 YCBSYVOOYYZLKJ-UHFFFAOYSA-N 366.462 1.690 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19583530 LOHDJHACKAAEAO-INIZCTEOSA-N 364.409 1.851 0 40 FDAB CN1CCc2nc([C@H]3CCN(C(=O)COc4ccccc4)C3)ncc2C1 19590605 SLQLKIXDRQKLDU-HNNXBMFYSA-N 352.438 1.859 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC[C@@H]3Cn3cccn3)ccc21 19659125 KOYDWJXQOPVDHB-OAHLLOKOSA-N 368.441 1.177 0 40 FDAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cc[nH]n1 19696492 ODKXURZHCMRUOH-UHFFFAOYSA-N 350.382 1.199 0 40 FDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCN(c2ccccc2F)CC1 19714140 FFJKOHSKALBFBA-QGZVFWFLSA-N 371.460 1.835 0 40 FDAB CN1CCC(C(=O)N2CC(C(=O)NCCOc3ccc(F)cc3)C2)CC1 19747527 MNLFPVHJWFBNTH-UHFFFAOYSA-N 363.433 1.121 0 40 FDAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(S(=O)(=O)c1cccnc1)C2 19589044 YTWJOQYZKVUKPJ-QGZVFWFLSA-N 373.482 1.775 0 40 FDAB Cc1nc2c(c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)n1)CCC2 1888857229 NLXXIJNLQUBWPG-IAGOWNOFSA-N 362.433 1.895 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n(C)n1 1888866924 YKXYHQGXKMHLMY-GJZGRUSLSA-N 366.469 1.524 0 40 FDAB Cc1nc(N2C[C@H]3CN(c4nccn5nccc45)C[C@@H]3C2)nc(O)c1F 1888897632 GWLVLFPIRAREHP-VXGBXAGGSA-N 355.377 1.245 0 40 FDAB NC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1 24715252 MTWWWBFDZFTCQP-UHFFFAOYSA-N 352.799 1.851 0 40 FDAB Cc1cc(C)nc(N2CCO[C@]3(CO[C@H](C(=O)NCC(F)(F)F)C3)C2)n1 2056226764 ZIVQFCPNAKDRNB-WFASDCNBSA-N 374.363 1.136 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)on1 1146935139 PMTYFRHOZXRCFW-CQSZACIVSA-N 355.394 1.819 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(C(=O)C1(F)CC1)CC2 1565549187 RDVSCVRYXWLWOD-UHFFFAOYSA-N 360.433 1.219 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(C)n23)cc1 4249912 COBHEBXMJLIABV-UHFFFAOYSA-N 373.394 1.243 0 40 FDAB CN1C(=O)c2cccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C1=O 4517915 OTIRNULZHCFWAT-UHFFFAOYSA-N 358.375 1.568 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccccn1 12422927 GIQHKRVSPIXTIK-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)cnc21 13531408 JYCPCLGCSKDOEN-UHFFFAOYSA-N 367.196 1.953 0 40 FDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cocn2)C1 2055750955 QSWXHYDZVMEERT-IBGZPJMESA-N 372.425 1.524 0 40 FDAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2cnn(C)c2)CC1 2055759351 NZMFZKSGNRWUGF-UHFFFAOYSA-N 371.485 1.629 0 40 FDAB COc1cnccc1C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 2055796051 POYIVTABHXPRMQ-INIZCTEOSA-N 373.453 1.485 0 40 FDAB Cn1ncc2c(N3CCN(c4ccc(C(C)(C)C)nn4)CC3)ncnc21 1775973711 RDAOXLRXANUUCK-UHFFFAOYSA-N 352.446 1.777 0 40 FDAB CN(C1CN(c2ccc(-c3ccccc3)nn2)C1)S(=O)(=O)c1cnc[nH]1 1775977177 GOZGYYSTUXYHEA-UHFFFAOYSA-N 370.438 1.376 0 40 FDAB O=C([C@H]1CCCN(c2cc(=O)n3ccccc3n2)C1)N1CCSCC1 2086861220 VBINJMMJDXIRGR-AWEZNQCLSA-N 358.467 1.486 0 40 FDAB O=C(N=c1cco[nH]1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575610971 RXEWQKNAZNYIET-CQSZACIVSA-N 357.391 1.613 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 28224133 BNZZRVRPLICSEX-KBPBESRZSA-N 362.401 1.980 0 40 FDAB COC(=O)C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccs1 40040580 ATPSMOBKVUKWKU-GFCCVEGCSA-N 373.434 1.822 0 40 FDAB CCOc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1OC 40108201 GZCDNEWTBOMMHA-ZDUSSCGKSA-N 373.496 1.630 0 40 FDAB Cc1nc2nc(SCCCN3C(=O)NC(C)(C)C3=O)nn2c(C)c1C 40127965 WBDNGGSYQSTCTF-UHFFFAOYSA-N 362.459 1.862 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2620697 XXWHIZGNWRYVKP-AWEZNQCLSA-N 353.396 1.334 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1nccc(-c2ccccc2)n1 4967869 AEVUVWJAHWIXDK-UHFFFAOYSA-N 369.406 1.559 0 40 FDAB COC(=O)/C=C(/Nc1ccccc1OCCO)C(=O)NC1CCCCC1 20729836 HBAFRCJQKSRFJS-DTQAZKPQSA-N 362.426 1.975 0 40 FDAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3cccnc3)n2)cc1 20718631 OBPXKQDBRHWBPB-UHFFFAOYSA-N 368.349 1.760 0 40 FDAB CN1N=C(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCC1=O 46243523 KQNJVSLOPJKEFD-UHFFFAOYSA-N 363.439 1.950 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C2=O 2649440 XDMMFHIIIHCUAP-ZMZPIMSZSA-N 358.398 1.225 0 40 FDAB Cc1nc2cc([C@@H]3CCCN(C(=O)CCn4cncn4)C3)nn2c(O)c1C 100137697 OQUUVAXRAJVNGJ-CQSZACIVSA-N 369.429 1.440 0 40 FDAB CN1C(=O)[C@@H]2C(=NN[C@H]2c2c(O)c3ccccc3n(C)c2=O)c2ccccc21 100361615 SKVUSAKIFXNQAN-CRAIPNDOSA-N 374.400 1.885 0 40 FDAB COc1ccc([C@H](CNCC(=O)NCc2ccco2)N2CCOCC2)cc1 22038379 LSGYSEWSSVCILS-IBGZPJMESA-N 373.453 1.568 0 40 FDAB NC(=O)Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 12321547 URKFIPNIBPYVOA-UHFFFAOYSA-N 350.334 1.772 0 40 FDAB Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 789645 WNWLHPLKXBVHCZ-UHFFFAOYSA-N 371.416 1.611 0 40 FDAB biogenic CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(N)=O 3087660 WFDIEQNPRBNOQQ-HZPDHXFCSA-N 363.458 1.954 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCCSc3ccccc32)C1=O 12597280 KARUXQVZPQRLEE-KRWDZBQOSA-N 362.455 1.741 0 40 FDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1 12534736 OLZDOJWEKWBZKG-UHFFFAOYSA-N 354.410 1.629 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cnnn2)cc1 24653246 MMHFZWILARHXRT-OAHLLOKOSA-N 351.366 1.574 0 40 FDAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N[C@@H]1CCS(=O)(=O)C1 27936673 MFMWPDOLDAKANM-SECBINFHSA-N 351.350 1.083 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 43936346 QQDJFHFRRLYZGJ-WCQYABFASA-N 368.455 1.935 0 40 FDAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NC1CC1 26286722 PZWOXRMIMBIZPQ-UHFFFAOYSA-N 358.467 1.833 0 40 FDAB NC(=O)C1(CNC(=O)c2cccnc2Nc2ccccc2F)CCOCC1 57007232 KFCUDCYESMSIHD-UHFFFAOYSA-N 372.400 1.976 0 40 FDAB COC[C@H](C)NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422364 DBNJIUWVIPDDJK-ZDUSSCGKSA-N 374.407 1.764 0 40 FDAB O=C1CN(Cc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 57738502 XITWEJZQBPWIIM-MSOLQXFVSA-N 374.437 1.840 0 40 FDAB CC(C)c1cccc(NC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)c1 58158763 HRSHZRWBEIJIQK-UHFFFAOYSA-N 355.398 1.645 0 40 FDAB CCOCCNC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58265240 QYLGQFAQABLPML-UHFFFAOYSA-N 353.850 1.773 0 40 FDAB O=c1[nH]c(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 13016809 ZCEGXKSSRRDBOR-CYBMUJFWSA-N 373.434 1.705 0 40 FDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1nc2nccc(C)n2n1 8268069 KSDSBUZGUBAFIZ-UHFFFAOYSA-N 374.351 1.812 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC2CC2)c1 6428716 YIZBJSDSVDLJLG-LBPRGKRZSA-N 368.455 1.541 0 40 FDAB O=C(CCNC(=O)C1CCCC1)N[C@@H](Cn1cncn1)c1ccccc1 69979714 RZJTVTQJPZBRRR-KRWDZBQOSA-N 355.442 1.832 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccco1 5653984 AVWYVKVUKJVYPO-LLVKDONJSA-N 356.334 1.124 0 40 FDAB CC(C)c1ccccc1OCCNC(=O)C1CCN(S(C)(=O)=O)CC1 110507915 WBBKNYGFYLMMDQ-UHFFFAOYSA-N 368.499 1.977 0 40 FDAB Cc1cc(C)cc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1 4912587 VFWSQUVTABTNJF-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc(F)c(F)cc2Cl)NC(=O)NC1 18269546 ZYNGLKWFKVCMKT-UHFFFAOYSA-N 374.727 1.905 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)[C@H]1C(=O)O 71284529 XJZBECJOCWJOTR-OLZOCXBDSA-N 352.412 1.522 0 40 FDAB O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCC(O)CC1 8946115 JQSFBIPHUBISIE-UHFFFAOYSA-N 369.259 1.989 0 40 FDAB COCc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)o1 96005231 VWMXSCIWVUURJO-OAHLLOKOSA-N 370.471 1.893 0 40 FDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 9499757 PVXQVAKOKDDQJH-UHFFFAOYSA-N 362.798 1.849 0 40 FDAB O=C(NCC(=O)N1CCOCC1)c1nnsc1-c1ccc(Cl)cc1 72242891 AFZYHMHYSFELHD-UHFFFAOYSA-N 366.830 1.447 0 40 FDAB COc1ccccc1CNC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 79483227 MXYSUCWLUWIAGM-UHFFFAOYSA-N 363.377 1.369 0 40 FDAB CCNC(=O)N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)Cc1ccco1)C2 306125475 CSEQBRJAVDIKJL-CRAIPNDOSA-N 372.429 1.096 0 40 FDAB O=C(CN1CCNCC1=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 518192771 QKGCZPFIPASQFE-UHFFFAOYSA-N 367.331 1.261 0 40 FDAB CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 1527452911 OUHJDXQUHGBIPE-RKTXRCNFSA-N 372.531 1.853 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)N(CC(=O)O)C3CCOCC3)CC2=O)c1C 532602267 OUHYSTLNPSJTGD-OAHLLOKOSA-N 374.437 1.749 0 40 FDAB COC(=O)c1ccoc1COC(=O)CCS(=O)(=O)c1ccccc1 32895340 NDDQAAJKTGJAHE-UHFFFAOYSA-N 352.364 1.973 0 40 FDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217526801 MMGWREXBMPRRFH-GFCCVEGCSA-N 356.444 1.688 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1 32654898 RZWUESHYWRESDS-UHFFFAOYSA-N 366.377 1.722 0 40 FDAB Cc1cccc2c1OC[C@H](NC(=O)NCc1nc(-c3ccccn3)n[nH]1)C2 563793224 UQCHWNYCTIOABY-CQSZACIVSA-N 364.409 1.978 0 40 FDAB COCCNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2)CC1 225488661 VUBCCEWYTWPRII-UHFFFAOYSA-N 354.454 1.972 0 40 FDAB CN(c1cccc(NC(=S)NCCCn2ccnc2)c1)S(C)(=O)=O 225520936 RMKTYUSFAPMINU-UHFFFAOYSA-N 367.500 1.656 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 222442954 ZYNHHNSCGDFQLP-CIRFHOKZSA-N 358.413 1.993 0 40 FDAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)cs1 96108143 OOVBLNAJJMPAPK-XJKSGUPXSA-N 359.455 1.215 0 40 FDAB Cc1ccc(C(=O)N2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)o1 96197584 IVHAKKJSKOECHC-UHFFFAOYSA-N 353.382 1.436 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@@H](Oc1ncccc1F)CO2 96107040 OKSRIOSXSDKYRH-CQSZACIVSA-N 358.373 1.853 0 40 FDAB COc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2)cc1 96061799 XAJVHPATCMOMNW-UHFFFAOYSA-N 355.486 1.655 0 40 FDAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3cccs3)C2)C1 96062379 HQKBSICHJWKJJC-SFHVURJKSA-N 360.483 1.846 0 40 FDAB O=C(c1ccccn1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96048940 ZXSLQELJKNFFNO-UHFFFAOYSA-N 352.438 1.984 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2cnsn2)C1 618257262 TZIQTKGVYICSGM-GFCCVEGCSA-N 371.422 1.318 0 40 FDAB O=C(CCOc1ccccc1)NC[C@@]1(O)CCCN(c2cnccn2)C1 257334700 YHBIDBMMKUAVGV-IBGZPJMESA-N 356.426 1.393 0 40 FDAB Cc1cccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C 257341401 ZKDVLRJSIGCJCE-FPAYPSAMSA-N 373.428 1.770 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccn(C)n3)C2)nc2c1CC(=O)N2C 257297116 RFXLLIFVUSOTFY-IBGZPJMESA-N 368.441 1.231 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257247805 JAOSWAJYRDVCKT-ROUUACIJSA-N 358.442 1.487 0 40 FDAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 257215223 CPEZDSQYEBNFQG-MRXNPFEDSA-N 356.492 1.416 0 40 FDAB O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)N1CCc2nnc(O)cc2C1 654263405 SGOBHQNTWOBCJA-PWSUYJOCSA-N 360.336 1.750 0 40 FDAB O=C(NCc1cc2c(nc1O)CCC2)NC[C@@H]1CCCCS1(=O)=O 680278610 CLYLLMIQKBHXBR-ZDUSSCGKSA-N 353.444 1.042 0 40 FDAB Cn1ncc(C(=O)N[C@@H]2Cc3cnccc3NC2=O)c1Cc1ccccc1 1303212379 AAZXEOFGBKEOKW-QGZVFWFLSA-N 361.405 1.699 0 40 FDAB O=S(=O)(NCCO)c1cnc(N2CCC[C@H](F)C2)c(C(F)(F)F)c1 1615053369 HYLWCRCMLXZEKL-VIFPVBQESA-N 371.356 1.309 0 40 FDAB c1cc(-c2nnc3ccc(=NCc4cn([C@@H]5CCNC5)nn4)[nH]n23)cs1 630542781 OXIXWIWIEONAOR-CYBMUJFWSA-N 367.442 1.013 0 40 FDAB O=C(Nc1cccnc1N1CCCC1)N1CCO[C@@H](Cn2ccnn2)C1 631537300 RHLRXEVSRGUORY-CQSZACIVSA-N 357.418 1.206 0 40 FDAB O=S1(=O)C[C@@H](N(CCO)C(c2ccccc2)c2ccccc2)[C@@H](O)C1 575419593 WUENSFWFGUZHKF-MSOLQXFVSA-N 361.463 1.228 0 40 FDAB O=C(C[C@]1(COc2cccc(Cl)c2)CNCCO1)N1CCOCC1 585271022 DXSBXQNPKKMAIR-QGZVFWFLSA-N 354.834 1.326 0 40 FDAB Cn1cc(N2C[C@@H](C(=O)NCCc3noc4ccccc34)CC2=O)cn1 585123909 MZURQRNJKKCAHW-LBPRGKRZSA-N 353.382 1.273 0 40 FDAB CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)C3(F)CCC3)CC2)O1 585091850 UROAZQOXRUNKCT-CYBMUJFWSA-N 364.421 1.080 0 40 FDAB Cn1ncc2c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)ncnc21 585149374 MIDSGVZOGKLCOA-UHFFFAOYSA-N 364.335 1.499 0 40 FDAB O=C(C1CC(O)C1)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108496 PBSPLIOUDVKDDN-ZZVGESKWSA-N 360.454 1.767 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NC[C@H]1CCCO1 54919169 WYPOPZLVFIUMCF-UONOGXRCSA-N 374.441 1.571 0 40 FDAB Cc1cc(-c2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)c(C)o1 56907258 ARCOIIZVTZOBIQ-UHFFFAOYSA-N 368.415 1.557 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 69321936 HRWXLRDDKNRJSE-GFCCVEGCSA-N 369.429 1.807 0 40 FDAB COc1cc(CN2CC[C@H](NC(=O)Nc3ccn(C)n3)C2)cc(OC)c1 88377512 BZWFKNUXPQOLCP-AWEZNQCLSA-N 359.430 1.833 0 40 FDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1 96298834 LCOUKSZPXQEMLP-ZIAGYGMSSA-N 358.442 1.498 0 40 FDAB COc1cccc(CNC(=O)Cn2nc(C)n3c(cc4occc43)c2=O)c1 5149263 IBMUUYHGUWGLED-UHFFFAOYSA-N 366.377 1.876 0 40 FDAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1 12161332 CKOWBOLQUIOHIA-OAHLLOKOSA-N 370.413 1.985 0 40 FDAB COc1cccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)OCO4)C2=O)c1 19832321 OQPONCSSSJHFGI-OAHLLOKOSA-N 354.362 1.846 0 40 FDAB O=C(c1cscn1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888899178 VMEOMPSRUGANGM-NSHDSACASA-N 370.438 1.999 0 40 FDAB COc1cccc(CCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1OC 23640988 VOVAFJGTUXUHMG-KRWDZBQOSA-N 362.470 1.960 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1143012070 PPTZNAYHWJAPJY-UHFFFAOYSA-N 358.438 1.838 0 40 FDAB CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2ccccc2)CC1 239612012 FHGFAFDZKWIWRC-GOSISDBHSA-N 363.502 1.210 0 40 FDAB OC1(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)CCCCC1 2087124847 ULRBTJUWRRYDCA-UHFFFAOYSA-N 361.490 1.130 0 40 FDAB C[C@@]1(C(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)CC=CCC1 1565553089 KDHCOYYVQKSVKL-RZQQEMMASA-N 368.437 1.657 0 40 FDAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n(N)c1=O 4854895 ZLUWXJPRPZZDJG-UHFFFAOYSA-N 360.226 1.698 0 40 FDAB CCS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)CC)nn2)cc1 7428228 MEEUZZVQTSQSST-UHFFFAOYSA-N 355.441 1.699 0 40 FDAB O=C(CC1CCOCC1)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738772 PSPZDKKZEWOSGL-AWEZNQCLSA-N 361.442 1.701 0 40 FDAB Cc1cc(CN2CCC[C@@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)no1 2055771875 GIDOWJFXMIEWCF-OAHLLOKOSA-N 371.363 1.849 0 40 FDAB CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)c1ncn(C)n1)C2 2055782037 ARWOYEGZCFXYSV-UHFFFAOYSA-N 366.425 1.634 0 40 FDAB COc1cccc(CN2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)c1 2055729960 JPFZYUFJYOKQKZ-NVXWUHKLSA-N 354.472 1.178 0 40 FDAB CN(C)C(=O)C1(n2ccnc2)CCN(S(=O)(=O)c2ccccc2)CC1 2055704325 KZQKOOYWODHZGY-UHFFFAOYSA-N 362.455 1.151 0 40 FDAB O=C(N[C@H](NCCN1CCOCC1)C(=O)c1ccccc1)c1cccs1 22860232 BWIKZHKOYAUENE-SFHVURJKSA-N 373.478 1.609 0 40 FDAB CN([C@@H]1CCCN(c2ncnc3c2CCCC3)C1)S(=O)(=O)C1CC1 2086889331 KIXHFWZGUQAPPG-CYBMUJFWSA-N 350.488 1.748 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@]2(O)CCc3ccccc32)cc1 225618976 IDQDHFDHSDDTAP-FQEVSTJZSA-N 373.474 1.973 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCOc1ccccc1 2443677 IYTMZWCVZWGLGI-UHFFFAOYSA-N 369.425 1.493 0 40 FDAB C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 50142905 UNINUOWPCZUSTA-GFCCVEGCSA-N 352.394 1.693 0 40 FDAB COCCN(CC(=O)N(C)C)Cc1noc(-c2ccc(Cl)cc2)n1 40127627 ZMPZYFVPABLKEF-UHFFFAOYSA-N 352.822 1.927 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC(C)C)cc1 30848558 WQHTWQHYGOMCJH-INIZCTEOSA-N 364.442 1.908 0 40 FDAB NC(=O)[C@H]1CC(C(=O)NCc2ccc3c(c2)OCO3)=NN1c1ccccc1 29107005 IDBLKPNWOMIGTB-OAHLLOKOSA-N 366.377 1.152 0 40 FDAB COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(N)=O)n2)cc1 1339524 QNWLGKLYSSZXMF-UHFFFAOYSA-N 352.354 1.086 0 40 FDAB CCC1(C(=O)c2ccccc2)C(C(=O)OC)=NC(=S)N=C1C(=O)OC 1587993 HAMKWHNRTMEUQS-UHFFFAOYSA-N 360.391 1.792 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 36883291 NONVTDBZAKQTRW-HNNXBMFYSA-N 374.418 1.059 0 40 FDAB Cc1cc(C)n(CCNC(=O)c2nc(CC(=O)Nc3ccccc3)no2)n1 32103059 IUUKGMNCGHWQPN-UHFFFAOYSA-N 368.397 1.494 0 40 FDAB O=C(/C=C/c1ccc(OCc2ccncc2)cc1)N[C@@H]1CCS(=O)(=O)C1 32350032 ATEMKBNKBFAXPU-ZNNBYXKUSA-N 372.446 1.977 0 40 FDAB COc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)cc1 32655950 HUQLQBWYRUWNQI-UHFFFAOYSA-N 352.394 1.570 0 40 FDAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc(C(C)(C)C)cc2)n(C)c1=O 8011895 LXWNMOURSLKESK-UHFFFAOYSA-N 354.410 1.614 0 40 FDAB O[C@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1ccc(F)c(F)c1 92857449 NXYVOQGPGUUEIA-CQSZACIVSA-N 361.352 1.675 0 40 FDAB Cc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1 8611080 OEWJRWHKGWHQMK-UHFFFAOYSA-N 363.439 1.518 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 8946335 WJZJAHCUBCVAQP-QEEYODRMSA-N 373.453 1.870 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1 9926912 VBALZTLMDDLVJV-QWHCGFSZSA-N 352.412 1.187 0 40 FDAB Cn1c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 55039278 XKWWNRYCPMZIMT-HNNXBMFYSA-N 361.467 1.123 0 40 FDAB Cn1c(NC[C@@H]2CCCO2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 838221 XJXJIGRPPHNXLY-AWEZNQCLSA-N 369.425 1.073 0 40 FDAB Nc1nccnc1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 53995949 SLQOLJWSBJAOJM-UHFFFAOYSA-N 360.421 1.947 0 40 FDAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC(=O)NC2CC2)CC1 22932995 RPCMUAGUHFGPEW-LBPRGKRZSA-N 366.412 1.188 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3O)CC1)C2=O 23641881 ULXZLYMKKGYLKP-UHFFFAOYSA-N 372.469 1.972 0 40 FDAB COc1ccc(NC(=O)COc2c(CO)cc(F)cc2CO)cc1OC 23731220 XSTKXBQXOUQIOY-UHFFFAOYSA-N 365.357 1.845 0 40 FDAB NS(=O)(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)nc1 23731319 FCTRNDNLCWQNFG-UHFFFAOYSA-N 352.847 1.709 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 24776681 PZJMIKHPQUPNIK-UHFFFAOYSA-N 365.455 1.143 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC[C@@H](C)C1 24750173 MIDVFTUCVQQEEO-CJNGLKHVSA-N 351.472 1.136 0 40 FDAB O=C(CN1CCN(c2ncnc3sccc23)CC1)NC1CCOCC1 76292298 KIHGBKCAGLJZOG-UHFFFAOYSA-N 361.471 1.109 0 40 FDAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 107333281 YYLAJRKRCQNAEM-MJBXVCDLSA-N 361.442 1.240 0 40 FDAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1 26539689 IWFNLSJMPZQTOH-UHFFFAOYSA-N 350.381 1.828 0 40 FDAB O=C1CN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738512 RSXRSWVXQCFUEL-RBUKOAKNSA-N 370.474 1.744 0 40 FDAB O=C1CN(Cc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 57738492 XITWEJZQBPWIIM-ROUUACIJSA-N 374.437 1.840 0 40 FDAB CN(C)c1nnc(S(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)s1 108933893 GHDVQGXABRKMHC-UHFFFAOYSA-N 369.403 1.767 0 40 FDAB CNc1cc(N2CCC[C@H]2CNCc2ccc(-n3cncn3)cc2)ncn1 109070040 WDNQAJRHOYUFMJ-KRWDZBQOSA-N 364.457 1.858 0 40 FDAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1)c1ccccc1 27631707 SJJWGUWKCBJSAW-DLBZAZTESA-N 353.470 1.907 0 40 FDAB CCO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 58293443 PNGUVZNQYVINIM-UKRRQHHQSA-N 370.471 1.185 0 40 FDAB C[C@@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)NCc1ccco1 58268235 VXHUWUJREHCGPI-CQSZACIVSA-N 372.425 1.242 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NC2CCCC2)n1 36359224 LXQKSFUVQSGZII-UHFFFAOYSA-N 372.381 1.710 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306134351 NKKDQYWLSLRVPZ-MRXNPFEDSA-N 364.467 1.414 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1ccco1 3386865 GJNGQGMVWQZXHJ-IBGZPJMESA-N 353.378 1.679 0 40 FDAB Cn1c(N)c(C(=O)CNc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O 3321739 VMABUYHYFFBQCN-UHFFFAOYSA-N 357.197 1.268 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1 8120144 CXVZTYCMUUJJMB-LLVKDONJSA-N 365.282 1.729 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1C 13146317 YYYUBVWMTJOBPV-KBPBESRZSA-N 360.410 1.543 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 13575603 VNURPNKDOYXSEL-KVQFHVQGSA-N 361.829 1.879 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccn1 13944003 HVWSRIRDONLCNE-UHFFFAOYSA-N 354.410 1.386 0 40 FDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N1CCN(c2ccccn2)CC1 14063044 VEQSSSTWJRZBPC-UHFFFAOYSA-N 359.455 1.417 0 40 FDAB COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(N)=O)cc2)cc1 5348136 VUVZDWIFJUEFSK-UHFFFAOYSA-N 350.396 1.384 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c(C)c1 6471449 BQLVEKZXBMGZFD-UHFFFAOYSA-N 362.407 1.919 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2ccc(OC)cc2)c(=O)[nH]c1=O 6507903 LQWSPIFWJSRUTF-UHFFFAOYSA-N 374.441 1.523 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 5874903 IVNZRYRXYKMQMN-UHFFFAOYSA-N 359.382 1.057 0 40 FDAB CCCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nnc1-c1ccncc1 7299357 KPRXEILUQWIIAD-NSHDSACASA-N 360.443 1.783 0 40 FDAB CCN(CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 68191006 LVIMFEOEQSIVQJ-LBPRGKRZSA-N 361.895 1.465 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(Cc2ccc(Cl)s2)CC1 96316706 STZFZYNFDBFENU-LLVKDONJSA-N 370.906 1.896 0 40 FDAB Cc1cc(OCC(N)=O)ccc1NC(=O)C(=O)N1CCc2ccccc2C1 84090528 BPIKWCGJGUFGFE-UHFFFAOYSA-N 367.405 1.383 0 40 FDAB COc1cc2nc(C)n(CC(=O)NCc3cccn3C)c(=O)c2cc1OC 72325776 MCOUMKBZXQDCQN-UHFFFAOYSA-N 370.409 1.377 0 40 FDAB biogenic O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccncc1 95472484 NAQRNNUBTKUTMB-KRWDZBQOSA-N 366.421 1.498 0 40 FDAB COCC(=O)NCC[C@H]1CN(Cc2c(C)noc2C)Cc2ccnn2C1 306145003 ZUNJXQBBSPBCHW-HNNXBMFYSA-N 361.446 1.273 0 40 FDAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCC(=O)O 409030629 GXDOYMWALWTIOV-YHYXMXQVSA-N 370.814 1.842 0 40 FDAB CC[C@@H](c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1 20141510 DYOIXKHETVNLNJ-HNNXBMFYSA-N 370.413 1.817 0 40 FDAB O=C(O)c1cccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 515300593 LCNIHUFCPMIWMV-UHFFFAOYSA-N 367.405 1.948 0 40 FDAB CN(C)C(=O)[C@@H]1CN(Cc2ccsc2)C[C@]12Cc1ccccc1C(=O)N2 72334451 FFYYDTBWEIUNHS-FXAWDEMLSA-N 369.490 1.993 0 40 FDAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)NC1=S 409007436 QAQKZUYJULKFBZ-YHYXMXQVSA-N 370.814 1.890 0 40 FDAB O=C(CN1CCC[C@H](c2cccc(-n3ccnc3)n2)C1)N1CCOCC1 72378723 BYAPBKHQOWTTTL-INIZCTEOSA-N 355.442 1.306 0 40 FDAB Cc1nn(C)c2c(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)nnc12 32647301 USHWKWINKHIUGN-UHFFFAOYSA-N 367.196 1.779 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 78761997 LZPLUNWUCZXQRZ-OAHLLOKOSA-N 353.488 1.155 0 40 FDAB CN1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 49565780 VGUZSFFPBFIEMJ-UHFFFAOYSA-N 351.863 1.787 0 40 FDAB CCc1nc(N2CCN(c3ncccn3)CC2)c2c(n1)c(C)nn2CC 226688233 NFSNKENVSANHRI-UHFFFAOYSA-N 352.446 1.834 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)NC2CC2)s1)c1ccc(Cl)cc1 225468197 FESONKCOOCUBOU-UHFFFAOYSA-N 358.832 1.885 0 40 FDAB O=C(c1cnccn1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96058351 YTNZXDOCQPCWLZ-LNLFQRSKSA-N 350.422 1.719 0 40 FDAB COc1ccc(CN2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cc1 96050351 JMCLLPFKBYYMFW-FQEVSTJZSA-N 369.469 1.352 0 40 FDAB COC[C@@H]1CN(C(=O)c2ccsc2)CC12CCN(S(C)(=O)=O)CC2 247536229 QPBHQVIARTXDLS-AWEZNQCLSA-N 372.512 1.508 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 247938866 HQWNWHDFUSSROF-HOCLYGCPSA-N 355.460 1.138 0 40 FDAB Cc1occc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248009135 IJILRAPQALTQCB-CQSZACIVSA-N 353.440 1.644 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cccnc1)CC2 247833645 IGNKCXDYLAQSLG-INIZCTEOSA-N 353.488 1.202 0 40 FDAB CO[C@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@]12CCCO2 257315545 VBXDIXYHHROLPX-LPHOPBHVSA-N 359.426 1.242 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257227207 FOCNCQQYBSJVST-QGZVFWFLSA-N 353.426 1.994 0 40 FDAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)CCN)C2)ccc1CO 257220866 DMMPCNXWJGIIMZ-CQSZACIVSA-N 358.442 1.901 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)cc1 257263937 LSDLPQFUDQVFSA-FQEVSTJZSA-N 372.469 1.908 0 40 FDAB NCC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257216144 CTHSGZVXVKQLJJ-JTQLQIEISA-N 366.347 1.909 0 40 FDAB CN1CCOc2ccccc2C(=O)NC/C=C/CC2(CCNCC2)C1=O 257314430 UWXSHJQTZIEERM-SNAWJCMRSA-N 357.454 1.583 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cccn1 257254533 KDNSQQONQSVGIE-IBGZPJMESA-N 357.458 1.548 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Oc1ccc(F)cc1 257311916 ULOYGUUXJYQFBQ-YJBOKZPZSA-N 371.412 1.935 0 40 FDAB CCOC(=O)CCC(=O)NCCc1csc(-n2nc(C)cc2C)n1 85473498 VFKUITKWBSRFIP-UHFFFAOYSA-N 350.444 1.948 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cnc(C3CC3)o2)CC1 639484435 MXIVYLDGXBMNHH-UHFFFAOYSA-N 369.377 1.879 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c(CC(=O)O)c1 663426418 LVVAOKLLQGFTGN-LBPRGKRZSA-N 363.382 1.892 0 40 FDAB Cn1cnnc1[C@@H]1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 1776003590 ZSVMJCISFBDFNQ-GFCCVEGCSA-N 367.409 1.943 0 40 FDAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 484906714 GBHMTUUBFDLVRQ-MRVPVSSYSA-N 360.823 1.565 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)CCO1 653552926 OBFPSWKXCMKCEN-OAHLLOKOSA-N 366.389 1.217 0 40 FDAB O=C(CSCc1ccccc1)NCCN1C(=O)c2cccnc2C1=O 575608958 QHXSZXWULRGNSM-UHFFFAOYSA-N 355.419 1.727 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCn3ccc(C)n3)CCO2)cc1 585277058 JPHOZVOZBNEZOB-FQEVSTJZSA-N 357.454 1.723 0 40 FDAB CO[C@@]1(CC(=O)NCc2ccc(F)cc2F)COCCN(C(C)=O)C1 585280397 HQRMCQISZYCHRV-QGZVFWFLSA-N 356.369 1.235 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@@H]12 585109578 XKEBLQMDISPTPI-GGPKGHCWSA-N 372.465 1.388 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2scnc2C)Cc2ccnn21 585112136 IQSDRXJCLMRJFF-AWEZNQCLSA-N 369.516 1.534 0 40 FDAB Cc1ccc(Nc2nccc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)nc1 72377824 JIGUNLZAZNLLNU-CQSZACIVSA-N 362.459 1.867 0 40 FDAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 11582387 UXEDYYWVDVLBNH-WYUUTHIRSA-N 355.460 1.943 0 40 FDAB O=C(Cn1nc(-c2cccc(F)c2)n(-c2ccncc2)c1=O)NC1CC1 12117401 BCXLSZUIWRFGTE-UHFFFAOYSA-N 353.357 1.514 0 40 FDAB Cc1cc(-c2cn[nH]c2C2CCN(CC(=O)N3CCOCC3)CC2)on1 12118751 WOJZEEGSVAZKHI-UHFFFAOYSA-N 359.430 1.411 0 40 FDAB COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)cc(OC)c1 13656451 CNFKCSBCVBMLNN-WMZOPIPTSA-N 363.435 1.983 0 40 FDAB COc1cc2[nH]c(O)c(C(=O)NCc3cccnc3)c(=O)c2cc1OC 18144463 YNEUUQKFIYZSFC-UHFFFAOYSA-N 355.350 1.576 0 40 FDAB biogenic,in-vitro COc1ccccc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1 19570698 HJMRJJARJGUNMC-UHFFFAOYSA-N 370.453 1.216 0 40 FDAB CCc1cc(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)nc(SC)n1 1888854563 AKAGWNYYTDGBPJ-OAHLLOKOSA-N 363.531 1.892 0 40 FDAB COc1cc(C(=O)NC2CN(c3nnc(C)s3)C2)cc(OC)c1OC 1888864390 CUWHGBGOOKJTQO-UHFFFAOYSA-N 364.427 1.491 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cn(C)cn5)C[C@H]4C3)n1)CCC2 1888866318 YDFVTASWTDVEDJ-ZIAGYGMSSA-N 352.442 1.216 0 40 FDAB CCc1cnc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nc1 1888897148 PRGWUFZVJSMJCO-OKILXGFUSA-N 350.430 1.288 0 40 FDAB Cc1cc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)nc(C)n1 1888908420 NKGOAVKKRHEDGW-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB C[C@H](NC(=O)COn1nnc2ccccc21)c1ccc2c(c1)OCCO2 14305890 MAPHRUZHQOIDFD-LBPRGKRZSA-N 354.366 1.509 0 40 FDAB O=C(CN1CCCCCC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840858 UQFMIAFBTSOZFH-NRFANRHFSA-N 371.481 1.897 0 40 FDAB Cn1c(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)cccc1=O 1565554715 DYAHDHUQDLRQTR-CABCVRRESA-N 365.437 1.187 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)no1 801464 TXLQPMHFJNKQRJ-UHFFFAOYSA-N 350.338 1.517 0 40 FDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1 4941471 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1.342 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6672752 YHWSUWHJDWWTSQ-PDOICOKGSA-N 353.422 1.422 0 40 FDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2ccccc2n1 46051447 MYPUZJGWVXRPDO-QFBILLFUSA-N 355.438 1.702 0 40 FDAB Cn1c(=O)c2[nH]c(SCC(=O)c3ccc(Cl)s3)nc2n(C)c1=O 101236474 YSIJZAFUXLONPV-UHFFFAOYSA-N 370.843 1.650 0 40 FDAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 32815997 HQMSGTKMGYFJSF-UHFFFAOYSA-N 364.423 1.539 0 40 FDAB COc1ncccc1CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 32802182 SDLSPPKFOWAHDV-SFHVURJKSA-N 370.453 1.963 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102436548 OCVCRTITKUIXJZ-OKILXGFUSA-N 356.378 1.671 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 58166080 GMMFSWAMBRKFGU-LSDHHAIUSA-N 360.458 1.169 0 40 FDAB CCn1nnnc1SCc1nc(CC(=O)NCc2ccccc2)no1 32913776 ALQODUPLUPLZTD-UHFFFAOYSA-N 359.415 1.227 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 9926490 AJUIFUXCYYITJX-CYBMUJFWSA-N 364.365 1.871 0 40 FDAB CCCCN(Cn1nnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 22010762 VOISBNOEYWPFQZ-CYBMUJFWSA-N 350.444 1.038 0 40 FDAB O=C(Cc1ccccc1)NCCCNC(=O)c1nc(O)c2ccccc2n1 22471065 YKPYUKSVEJWODG-UHFFFAOYSA-N 364.405 1.814 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC 851392 NPKFSFMEUQVNRQ-UHFFFAOYSA-N 368.389 1.659 0 40 FDAB CCN1CCN(C(=O)c2nnc3sc(-c4ccc(F)cc4)nn23)CC1 57354669 OFXLEWPBFPZQGO-UHFFFAOYSA-N 360.418 1.770 0 40 FDAB CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 100777302 SSBAWYYRBSCSAF-FZKCQIBNSA-N 369.506 1.508 0 40 FDAB CCOC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1O 948421 XBOLGZAHVGZLGE-UHFFFAOYSA-N 368.367 1.698 0 40 FDAB CCN1CCO[C@@H](C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)C1 107059816 SFZDRTJVEJAGMY-PKOBYXMFSA-N 360.502 1.034 0 40 FDAB NC(=O)NC1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 80784761 XOPAUKPRKOHNFE-INIZCTEOSA-N 372.469 1.127 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 57511468 GZLIEPIKRWTPDC-UHFFFAOYSA-N 361.377 1.757 0 40 FDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)cc1C 26969791 BRTDWROMPOFLDJ-OAHLLOKOSA-N 370.496 1.226 0 40 FDAB CCc1cc(N2CCC(NC(=O)c3cc(C)on3)CC2)n2ncnc2n1 58166470 RZQOPFUDKQNQHQ-UHFFFAOYSA-N 355.402 1.382 0 40 FDAB COC(=O)c1cc(NC(=O)CSc2nccn2C)cc(C(=O)OC)c1 12655810 GSCMGDXWDKLZMZ-UHFFFAOYSA-N 363.395 1.724 0 40 FDAB CCCS(=O)(=O)Nc1cccc(C(=O)NCCCOCCOC)c1 58202576 UNZIAEKCTUQNGN-UHFFFAOYSA-N 358.460 1.621 0 40 FDAB C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)N1CCOCC1 58246518 GIINVHACMVMPFU-NSHDSACASA-N 368.817 1.017 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2)n1 3355277 RGLZWVIJPPMXCB-KRWDZBQOSA-N 357.410 1.941 0 40 FDAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(O)c1 12796580 XTJYQPRYQJKWLF-UHFFFAOYSA-N 365.389 1.711 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)c(O)n2)c1C 12947611 WZYACWDQUQZVPF-SECBINFHSA-N 350.400 1.981 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 8170630 ISRAALXIVISVTL-GOSISDBHSA-N 357.454 1.796 0 40 FDAB CCc1nc(CN2CCN(C(=O)c3c(C)nsc3NC)CC2)no1 110790965 HXBMBPJXSARUCG-UHFFFAOYSA-N 350.448 1.397 0 40 FDAB CCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1 4339953 GRXVFIMHIZXNTO-UHFFFAOYSA-N 350.415 1.665 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1NC(C)=O 6623261 NLEZLVXWXCSXRV-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB COC(=O)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 4772499 VYNVKLNZTBIZJF-OAHLLOKOSA-N 351.362 1.578 0 40 FDAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 5628665 MDPCRLQUPPYFPO-UHFFFAOYSA-N 371.393 1.951 0 40 FDAB Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc2ncccc12 66756986 WOTJAGAIRMVBOU-GFCCVEGCSA-N 371.422 1.041 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1C 15310964 GHKPPRJBMRBGLE-UHFFFAOYSA-N 354.428 1.852 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)CC1 408587532 DQLPMTFVQOHSPW-UHFFFAOYSA-N 368.503 1.887 0 40 FDAB CNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 7102650 MOMZUQVGDZAMPV-UHFFFAOYSA-N 355.420 1.566 0 40 FDAB COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)c(OC)c1OC 15544473 ZYUFOAOBPGNAFO-UHFFFAOYSA-N 369.381 1.869 0 40 FDAB O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccc2c(c1)CCC2 8718894 PFGVIRVACNEKJU-KRWDZBQOSA-N 373.384 1.586 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O 96305040 RACLPXXKTVVWAJ-UZLBHIALSA-N 371.485 1.657 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@@H]3CN(C)C)c2C)n1 97000943 GETRNCSQOXYQLH-QGZVFWFLSA-N 370.501 1.991 0 40 FDAB CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(C2CCN(C(C)C)CC2)CC1 95432352 LNNMTEUFFGYZGT-MRXNPFEDSA-N 367.538 1.100 0 40 FDAB O=C1NCCc2ccc(S(=O)(=O)N3CCOc4ccc(F)cc43)cc21 88547872 PUPRNKSXAHCASN-UHFFFAOYSA-N 362.382 1.699 0 40 FDAB CN(C(=O)CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1)C1CC1 95999743 OETOYFZRGHOAQG-LJQANCHMSA-N 370.497 1.420 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cnccc3N3CCCCC3)cnc21 95958974 HLIGWGCGAFAYPX-UHFFFAOYSA-N 367.413 1.154 0 40 FDAB CCc1nc(N)sc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 89282637 YPLHSYUGFNDZMH-UHFFFAOYSA-N 363.395 1.490 0 40 FDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)c2nnc3ccccn23)c1 89611912 JEIOBPUFEWDRFQ-LLVKDONJSA-N 359.411 1.176 0 40 FDAB Cc1ccc(C)c(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)c1 62720451 XBZYHXCHGQPHGR-UHFFFAOYSA-N 363.215 1.851 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@H](C)Cn3cccn3)c12 36619040 XQLDZBKOHWISGH-LLVKDONJSA-N 365.397 1.947 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1-n1cnnn1 32633161 FPGSLYNBIHHFQZ-UHFFFAOYSA-N 357.757 1.974 0 40 FDAB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1 39096472 GIPRMSYSEXSKBY-KRWDZBQOSA-N 369.421 1.516 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N(C)[C@]1(O)C(F)(F)F 35268025 XHFUEAPNRAWBBO-MISXGVKJSA-N 362.373 1.978 0 40 FDAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(CO)n2)cc1 565753798 WZEVZFLPCZPGFC-SNVBAGLBSA-N 364.427 1.982 0 40 FDAB COc1ccc(CNC(=O)c2snc(C(=O)N3CCCC3)c2N)cc1 62006781 JVWYDYIYERIBFE-UHFFFAOYSA-N 360.439 1.900 0 40 FDAB COc1ccc(CCNC(=O)N2CC[C@@H](Oc3nccnc3OC)C2)cc1 225389722 DJWOVJKHACDVMO-MRXNPFEDSA-N 372.425 1.899 0 40 FDAB CN(C)C(=O)CN1CCC(NC(=O)c2ccc(-c3csnn3)cc2)CC1 528504248 CXRZRIKVJIBJJG-UHFFFAOYSA-N 373.482 1.488 0 40 FDAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 223040059 LXMLYWWEGICRNE-LLVKDONJSA-N 364.423 1.842 0 40 FDAB CN(CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C)S(C)(=O)=O 68004718 INHKEPUXEZQZDO-AWEZNQCLSA-N 350.444 1.128 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CN2C(=O)[C@@H](C)NC2=S)s1 40066882 YCYJIWIEAIUMSE-SECBINFHSA-N 361.514 1.384 0 40 FDAB COc1ccc(OC)c(CCNC(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)c1 573962412 FIHWDWJEOGVWAE-IUODEOHRSA-N 350.415 1.999 0 40 FDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)Cc1ccccc1F 223863866 BWTXWTXRLQOULM-XJKCOSOUSA-N 354.447 1.892 0 40 FDAB Cc1nc(CN2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1 96224362 PGGLLTKPPLHWOR-KRWDZBQOSA-N 350.488 1.354 0 40 FDAB Cc1cnc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)s1 96124017 SYYAWPPEVRDMHK-LBPRGKRZSA-N 370.442 1.677 0 40 FDAB Cc1ccc(N[C@@H]2CO[C@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)nn1 96073793 PXEKJIHYFCZIMQ-XJKSGUPXSA-N 352.460 1.313 0 40 FDAB O=C1CCc2ccc(OCC(=O)N3CCN(c4ccccn4)CC3)cc2N1 96223412 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O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(-c2nc(=O)o[nH]2)c1 614984877 XRYHKIFANZBYDF-UZLBHIALSA-N 365.389 1.926 0 40 FDAB O=C(NC[C@H](O)CNC(=O)[C@@]12CCC[C@@H]1C2)c1cc(-n2cccc2)ccn1 1689179946 WWHBDXYBDNBGJJ-PTSWNOGYSA-N 368.437 1.269 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)[C@@H]2C[C@H]2C)CC3)cn1 585096249 CVELSLOFLNYJLL-OSAQELSMSA-N 368.441 1.471 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(CC(=O)Nc3ccccn3)CCO2)cc1 585276761 IMNQWGWUFGRGLY-FQEVSTJZSA-N 355.438 1.635 0 40 FDAB CC[C@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O 49180795 VDRDRMCAECTSGB-PIGZYNQJSA-N 353.371 1.055 0 40 FDAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615154886 GOTJKOMVWQRMQO-UHFFFAOYSA-N 368.437 1.767 0 40 FDAB CCc1nsc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)n1 1615588678 CPLGNEFMWJILHJ-KGLIPLIRSA-N 365.503 1.983 0 40 FDAB CCc1nsc(N[C@@H]2CCCCCN(C(=O)c3nccnc3N)C2)n1 1615610483 IQAVQOCQZZVIGV-LLVKDONJSA-N 361.475 1.970 0 40 FDAB C[C@@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(N)=O)n1-3 5501307 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PPVXSMOJUFWQTA-VXGBXAGGSA-N 367.496 1.840 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 8180409 XUQUFWFTIVWUOO-UHFFFAOYSA-N 352.343 1.471 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N(C[C@H]1CCOC1)C1CC1 46937410 WOSJRLNHRLIVBQ-CQSZACIVSA-N 363.458 1.659 0 40 FDAB COc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OC 730185 XJZGWIOCIYWLGL-DHDCSXOGSA-N 366.402 1.778 0 40 FDAB Cn1cc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 54820613 DUVKEBVTYVEUMC-UHFFFAOYSA-N 370.453 1.468 0 40 FDAB CCOC(=O)[C@H]1CSCCN1CN1C(=O)NC2(CCCCC2)C1=O 24992115 MBVVDIPOCWSZKL-GFCCVEGCSA-N 355.460 1.179 0 40 FDAB COc1cc(C(=O)OCC(=O)Nc2nccs2)cc(OC)c1OC 1415251 UZBKMUHFYPPFSR-UHFFFAOYSA-N 352.368 1.964 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 107233560 DOBIPUAXUUGTED-FUHWJXTLSA-N 360.435 1.997 0 40 FDAB Cn1nnnc1SCCC(=O)NCCc1ccc(OC(F)F)cc1 56170522 NZKFYNVVBGQKRO-UHFFFAOYSA-N 357.386 1.653 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 113946909 AKXSSJKDVXOYII-XPKDYRNWSA-N 351.472 1.848 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1ccc(F)cc1 12621689 NFOYLSIDJCFVGJ-INIZCTEOSA-N 355.369 1.605 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3F)C2=O)o1 58215101 IWCAWAGHCJDLBQ-GOSISDBHSA-N 359.357 1.811 0 40 FDAB COc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)c(OC)c1 10659435 IJJXWEJRCURTOP-UHFFFAOYSA-N 361.383 1.146 0 40 FDAB CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 174008853 UDENHNMBIGIPFD-UHFFFAOYSA-N 363.443 1.046 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C[C@H](O)Cn3cccn3)CC2)cc1F 48234742 BIFZALSETQEUNP-SFHVURJKSA-N 374.460 1.720 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)Cn1nnc2ccccc2c1=O 8328100 XJVHZADDDKYJQJ-UHFFFAOYSA-N 352.350 1.525 0 40 FDAB C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 23248738 CYTSUJZLLFQIEJ-HOTGVXAUSA-N 364.534 1.499 0 40 FDAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 4386496 UPTUXGPJLQIDDE-UHFFFAOYSA-N 373.800 1.944 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CN(C)c2cnccn2)cc1 65552803 XEFLFCYBRHCOSY-MRXNPFEDSA-N 369.425 1.551 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)CN3CCC[C@@H](C)C3)cnc12 65674819 LQTGMLRULLWKLO-GDBMZVCRSA-N 356.470 1.942 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)c(C)c1 4943991 CGRNTOQPBAZFCO-CQSZACIVSA-N 370.471 1.357 0 40 FDAB COC(=O)c1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 6908236 QJRPWPRMGHDNBO-UHFFFAOYSA-N 351.362 1.569 0 40 FDAB CC(=O)N1N/C(=C2\C(=O)N(C)C(=O)N=C2O)C[C@@H]1c1ccc2c(c1)OCO2 8766493 CVZKACGDROQOOQ-UXEDPAHQSA-N 372.337 1.016 0 40 FDAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1C 7236714 KOXPOXMYOATSCN-UHFFFAOYSA-N 363.443 1.200 0 40 FDAB Nc1ccc(I)cc1C(=O)OCC(=O)NC1CC1 7226605 LJVNLRNDLIQTTN-UHFFFAOYSA-N 360.151 1.309 0 40 FDAB CCCn1c(O)nnc1SCC(=O)NC[C@H](c1ccccc1)N(C)C 7532194 HNTTZUNDIXZCHM-CQSZACIVSA-N 363.487 1.905 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 80738238 VBPNWIBWXOPOEK-MRXNPFEDSA-N 370.446 1.536 0 40 FDAB COCCn1cc2c(n1)[C@H](NC(=O)C1(O)Cc3ccccc3C1)CCC2 96002902 HVWONMQLEVKCIX-QGZVFWFLSA-N 355.438 1.553 0 40 FDAB Cn1ccc(CNC(=O)Cc2cccc(I)c2)n1 95451773 KNACKHXMKNMUPZ-UHFFFAOYSA-N 355.179 1.884 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306133379 MJXTYRBQHXPVLF-HNNXBMFYSA-N 367.475 1.374 0 40 FDAB CCCC[C@H](C(=O)OCC(=O)N1CCCCCC1)N1CCCS1(=O)=O 95453482 IQJDCIJEFVWEDL-OAHLLOKOSA-N 374.503 1.527 0 40 FDAB CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 95994267 LDKMJOBOCGPFKK-KGLIPLIRSA-N 369.259 1.941 0 40 FDAB CCc1nnc(CN2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)o1 95999694 FMBHIUVSDNQEDI-KRWDZBQOSA-N 369.469 1.945 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1 36078834 OOBKRYJSUSQHHV-HNNXBMFYSA-N 351.428 1.819 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(CC)cc3)nn2)CC1 67263277 BJYBEQZAIRMQTN-UHFFFAOYSA-N 357.414 1.744 0 40 FDAB CCOC(=O)c1cnc(NC[C@@H]2CCCN2c2cc(NC)ncn2)cn1 548285068 IVKWIWZFYITLRO-LBPRGKRZSA-N 357.418 1.566 0 40 FDAB Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCO[C@H](c4ccccc4)C3)nc21 30654643 XSAUUPWTAGPXEF-HNNXBMFYSA-N 367.409 1.189 0 40 FDAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 71281171 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O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@H]12 585109427 OOSGEYOBTPUHLA-ZHALLVOQSA-N 354.406 1.754 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2ccc3c(c2)CCCC3)C1 685941232 VKIWPGSXKSTYHX-IRXDYDNUSA-N 358.438 1.546 0 40 FDAB O=C(Cn1ccc(=O)c2ccccc21)NC[C@@H]1CCC2(CC(C(=O)O)C2)O1 1605725802 RUDGRSOVOHYARZ-DMAKZNTKSA-N 370.405 1.530 0 40 FDAB CN1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1 11566377 PVCBVCRKZHQQFU-IAGOWNOFSA-N 355.438 1.754 0 40 FDAB COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1cccs1 12530296 GPGFASKAAFAZRT-LBPRGKRZSA-N 369.468 1.814 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1cccc(F)c1 13670349 WNMGSZAEAXHYEC-UHFFFAOYSA-N 371.478 1.584 0 40 FDAB COCCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cnn(C)c2)CC1 19290644 MXIPKDLLCXCXRM-HXUWFJFHSA-N 371.485 1.921 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19501987 ZHTHIOFSQYRLSB-LWGWVAHUSA-N 364.829 1.927 0 40 FDAB COc1ncc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cn1 19572001 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1565548043 QEXFBBAYMCGANR-ZLIFDBKOSA-N 361.417 1.438 0 40 FDAB O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)cc1 4608673 GIUXVCIBPDRXDR-SFHVURJKSA-N 369.396 1.985 0 40 FDAB CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(=O)OC)cc1 4786716 XJETXBBCXSUDBI-HNNXBMFYSA-N 370.413 1.617 0 40 FDAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1 15884322 YELIGYXUDRFDOV-OAHLLOKOSA-N 370.409 1.099 0 40 FDAB Cc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)c1C 16777381 DUPUZDWNBLVWMK-UHFFFAOYSA-N 362.411 1.942 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)cc1 18024883 ZNJGWRSVRCVIIG-PHIMTYICSA-N 364.423 1.681 0 40 FDAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965634 HKRYQQJOUPPZAE-UHFFFAOYSA-N 366.356 1.290 0 40 FDAB CC(C)[C@]12O[C@@]1(C)[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 604220158 GHJILCJKNAHWOV-KEZFEMJHSA-N 374.433 1.493 0 40 FDAB in-vitro O=S(=O)(c1cccnc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255612 UHXCETMWCCWVHJ-CYBMUJFWSA-N 356.407 1.867 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@H](c1ccccc1)N1CCOCC1 102224716 CMOKGAZAWQMAAN-QXCZDIPSSA-N 352.434 1.867 0 40 FDAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)o1)c1ccco1 40088768 KJGQCNOHFHMQQK-GFCCVEGCSA-N 367.427 1.346 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CCO1 50845575 LKAPHBJKDADEGF-QGZVFWFLSA-N 368.437 1.468 0 40 FDAB CN(C)CCn1nnnc1SCC(=O)N(C)Cc1ccc(F)cc1 59352027 LBLLYCMLKCASKG-UHFFFAOYSA-N 352.439 1.125 0 40 FDAB CCOC(=O)C(=O)[C@](Br)(C(N)=O)c1c(C)cc(C)cc1C 2035521 APPVXPMELMBDGC-HNNXBMFYSA-N 356.216 1.820 0 40 FDAB C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 83888498 GMLQXRJWINMUBP-CORIIIEPSA-N 369.259 1.758 0 40 FDAB COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1OC 3442717 HRDDJAFJMJJFDR-UHFFFAOYSA-N 355.350 1.552 0 40 FDAB CC(C)c1ccc(NC(=O)CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32073392 ANAHZMVROAXKBX-OAHLLOKOSA-N 367.471 1.625 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4543929 MNPJDCSCEUDQKA-WVMBZCLNSA-N 369.373 1.228 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20746136 LQPLSILSVJYFNO-LBPRGKRZSA-N 374.397 1.591 0 40 FDAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 6636395 OYOCWEXMSIODET-UHFFFAOYSA-N 369.454 1.851 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CC1 2663312 RWTUAIIRHCOLAO-KRWDZBQOSA-N 371.437 1.388 0 40 FDAB COc1ncccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 52428650 BECYRXJUBUWENS-HNNXBMFYSA-N 355.394 1.717 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 77017638 QXGVEDVOTGDHGM-INIZCTEOSA-N 359.470 1.342 0 40 FDAB CC(C)N(C[C@@H]1CCCN(CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C 52833515 WHFWXACGQVBVPW-CYBMUJFWSA-N 356.467 1.539 0 40 FDAB CN1CCN(C(=O)C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)CC1 46971525 PSRGORKWXOJKBS-UHFFFAOYSA-N 368.481 1.805 0 40 FDAB C[C@@H](C(=O)N[C@H]1CCOc2ccc(Br)cc21)S(C)(=O)=O 53411571 WKMDEOIDWQTQDF-KWQFWETISA-N 362.245 1.822 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(C(C)C)no2)c1 22750623 DYQCUXHSODEHNB-UHFFFAOYSA-N 353.400 1.848 0 40 FDAB CC(C)(O)CN/C=C(\C(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 104095493 VHVMXANONLXMPZ-PCGPPNOCSA-N 366.458 1.705 0 40 FDAB COCCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O 47566499 VEUYSPQWDWFFKI-UHFFFAOYSA-N 374.416 1.988 0 40 FDAB CCCN1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 47527581 XGZZVNLANVZWRM-UHFFFAOYSA-N 356.264 1.601 0 40 FDAB CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2c(=O)oc3ccccc32)c1 24593920 LGTDZYWGKVKAMA-UHFFFAOYSA-N 364.354 1.776 0 40 FDAB COc1ccc(OC)c(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1 10541363 WKHBKGKNFBKWAT-ZDUSSCGKSA-N 370.471 1.728 0 40 FDAB CC(C)NC(=O)CNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 44350651 MKBVXAAXBLCJRH-UHFFFAOYSA-N 374.462 1.915 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 17073308 WKVSUBSULOUWMU-UONOGXRCSA-N 354.428 1.766 0 40 FDAB COc1cccc(/C=C(/C(=O)OCC(=O)NC(N)=O)c2ccccc2)c1 3299628 RWRFAMDAZBQYKH-LFIBNONCSA-N 354.362 1.974 0 40 FDAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1OC 58094191 NLRXHAZUUXJUSZ-MRXNPFEDSA-N 367.409 1.791 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)CN2CCc3ccccc3C2)C1=O 58185381 AONBUQJSBSLUFW-UZLBHIALSA-N 369.421 1.466 0 40 FDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)C[C@@H](C)O1 58268954 UYTZYKSTWRYJHZ-GHMZBOCLSA-N 353.448 1.418 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 58305515 ZULJEPQCUMTBPL-HOTGVXAUSA-N 359.474 1.456 0 40 FDAB CCOc1ncccc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 12733230 GJSDCRWMTJYRDS-UHFFFAOYSA-N 367.413 1.119 0 40 FDAB CC(=O)c1ccc(OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 11024328 JHONRIGPFQKNCP-UHFFFAOYSA-N 355.350 1.105 0 40 FDAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O 12988485 KKMCQDIQHYNBJZ-NSHDSACASA-N 365.459 1.810 0 40 FDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccccc1F 12990644 GPTKWFUKIMGVDD-NFAWXSAZSA-N 369.418 1.172 0 40 FDAB CC1(C)O[C@H]2[C@H](OCCO)C[C@@H](NC(=O)OCc3ccccc3)[C@H]2O1 309897604 OCBUGPAQVZSMFX-FPCVCCKLSA-N 351.399 1.583 0 40 FDAB Cc1cccc(-n2c(=O)[nH]c(O)c([C@H]3OC(=O)c4ccccc43)c2=O)c1 9042748 KOYUCMBTQLBCFC-HNNXBMFYSA-N 350.330 1.800 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 4305852 HAJFORXNMIYQPX-LJQANCHMSA-N 372.425 1.612 0 40 FDAB CN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)C(=O)N(C)C1=O 6490414 BRERXKCXMSALPT-UHFFFAOYSA-N 364.155 1.205 0 40 FDAB COc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)cc(OC)c1OC 6421572 GJNYSQFFRKEPFN-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCc2sccc2C1 14139674 OQUACQVJESHVNG-INIZCTEOSA-N 355.463 1.545 0 40 FDAB O=C(CSc1ncnc2sccc12)NC(=O)CN1CCCC1=O 6639289 AVZXAPOLMYUQPS-UHFFFAOYSA-N 350.425 1.049 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2Cl)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 8765250 YPELKAVYIVSDQP-OXGONZEZSA-N 371.817 1.461 0 40 FDAB biogenic CC1=NN(C)c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C1 8725389 ZMXXPEXKXZQVKY-UHFFFAOYSA-N 372.816 1.424 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 8754678 XBOCJCOCMXXBOM-HZSPNIEDSA-N 351.422 1.720 0 40 FDAB Cc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 4943402 KDUOXCKWFVKEMN-UHFFFAOYSA-N 355.398 1.079 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C 4941348 DDTJCMKNJBJTQX-UHFFFAOYSA-N 361.423 1.995 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1 16313926 LPMHSEUDOOZKMA-UHFFFAOYSA-N 358.350 1.439 0 40 FDAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ncccn2)CC1 8099026 DVJOVBNXYMMODG-UHFFFAOYSA-N 350.781 1.997 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)Nc1ccccc1)C2=O 8988099 OGZKVZWMPBCXLY-KZULUSFZSA-N 358.398 1.835 0 40 FDAB COc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 69211445 KKIHHJHQXREVQJ-QGZVFWFLSA-N 367.405 1.347 0 40 FDAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)[C@H]2COCCO2)CC1 95357301 QLBWKLDPOHPVEZ-OAHLLOKOSA-N 351.378 1.354 0 40 FDAB CN1C(=O)C[C@H](C(=O)N2CCc3c(ncn3C3CC3)C2)[C@H]1c1cccnc1 95397153 DOGWYGHHVWOKCN-HNAYVOBHSA-N 365.437 1.717 0 40 FDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 85419022 MYTHDDPRIDIHPS-LJCCNALRSA-N 367.405 1.210 0 40 FDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 75104704 FRFCJZPTGFBBRJ-RYUDHWBXSA-N 359.430 1.725 0 40 FDAB Cc1ccc(C)c(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)c1 408705994 SJOQXANLZUPKPS-UHFFFAOYSA-N 354.472 1.708 0 40 FDAB Cc1noc(C)c1Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31556743 QYMYWKDJSYVMPA-UHFFFAOYSA-N 354.288 1.767 0 40 FDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2c(F)cccc2F)CC1 71768163 WGYAJOLHQPRRCE-UHFFFAOYSA-N 351.397 1.911 0 40 FDAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(=O)N(C)C 40121208 NQPCDRJGBJJPNF-DTWKUNHWSA-N 361.211 1.948 0 40 FDAB COCCNC(=S)Nc1nc(OC)cc(Sc2ncccn2)n1 225897204 GJMCSMTXDGARCJ-UHFFFAOYSA-N 352.445 1.359 0 40 FDAB Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 328734138 YKHMRADJYVFUOU-AWEZNQCLSA-N 355.508 1.313 0 40 FDAB O=C(O)CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O 223447850 RRGYBCCDRPAYLW-UHFFFAOYSA-N 357.775 1.241 0 40 FDAB CN1CCN(C)[C@H](Cc2nc(Cc3cccc(Cl)c3)nn2CCO)C1 96160913 CNVWSLFCPLVAQA-MRXNPFEDSA-N 363.893 1.303 0 40 FDAB CCN1CC[C@]2(CN(C(=O)c3ccnnc3)C[C@H]2c2ccccc2)C1=O 96201876 UKQHMPVUQICYNI-FXAWDEMLSA-N 350.422 1.955 0 40 FDAB COc1ncccc1CN1CCC2(CC1)C[C@@H](N1CCN(C)CC1)CO2 96220823 VORFBOUICCWWQS-GOSISDBHSA-N 360.502 1.461 0 40 FDAB O=C(CC1CC1)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244195 KLUMLPNHEXVXHQ-IBGZPJMESA-N 358.442 1.114 0 40 FDAB COc1ccc(CN2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cc1 96050352 JMCLLPFKBYYMFW-HXUWFJFHSA-N 369.469 1.352 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245231671 HTVDMLDHTTWATO-HNLJFRNMSA-N 363.410 1.699 0 40 FDAB Cc1ncc(CNC(=O)CN2CCCCCC2=O)c([C@H]2CCCN2C)n1 257264170 LTFBTTOMZJGQGM-MRXNPFEDSA-N 359.474 1.571 0 40 FDAB COc1ccccc1CN1CCO[C@@H](c2nccc(CNC(C)=O)n2)C1 257294819 QVWHWBCELXBJCP-GOSISDBHSA-N 356.426 1.695 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@H]1c1nccc(CNC(C)=O)n1 257244003 IJLVVOAWTIFAEV-HNNXBMFYSA-N 355.398 1.494 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)[nH]1 257314664 UXYUNXKPOHEBBJ-LBPRGKRZSA-N 352.398 1.552 0 40 FDAB Cc1cnn(CC(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)c1 257264855 LWGSTOFATFCHQW-QGZVFWFLSA-N 357.458 1.513 0 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1.904 0 40 FDAB CC(C)Cn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O 45973285 NPEYUUOLCPPZHK-UHFFFAOYSA-N 358.442 1.115 0 40 FDAB C[C@H](C(=O)NC(N)=O)N1CCO[C@H](c2cccc(Br)c2)C1 58277987 MKMUNYFQXAXXFH-SKDRFNHKSA-N 356.220 1.406 0 40 FDAB COC(=O)C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ccc(OC)cc1 66095746 TWRGKLKJIVRVNN-AWEZNQCLSA-N 367.427 1.320 0 40 FDAB COc1ccccc1CCNC(=O)[C@H]1CCCN(c2ccc(=O)n(C)n2)C1 75166429 JQIRXZIRWZRIDE-INIZCTEOSA-N 370.453 1.364 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)C1 92822841 KCDVRLCHPDJDFQ-SNVBAGLBSA-N 366.365 1.646 0 40 FDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCC(C)(C)c1ccccc1F 1615085871 ADFIAKQDNBLDAY-LJQANCHMSA-N 350.434 1.983 0 40 FDAB O=C1NCC2(CCC(C(=O)NC[C@@H]3COCCO3)CC2)Oc2ccccc21 12086810 JNLPSVNCVWZWIY-RDYUPDBUSA-N 374.437 1.269 0 40 FDAB CCc1ncc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cn1 12121350 SOLZQWNULGPWAY-UHFFFAOYSA-N 367.500 1.674 0 40 FDAB COc1ccccc1CCNC(=O)CCc1c(C)nc2nc(N)nn2c1C 12916572 NKUURGWQXJILMQ-UHFFFAOYSA-N 368.441 1.623 0 40 FDAB COc1cc(/C=C2\NC(=O)NC2=O)cc(I)c1OC 15931868 MXXSYVOWIZCUCU-YWEYNIOJSA-N 374.134 1.489 0 40 FDAB Cc1ncc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cn1 19287222 NXLFWGGJERLQSG-LBPRGKRZSA-N 353.473 1.420 0 40 FDAB O=C(NC1CCC2(CC1)CNC(=O)c1ccccc1O2)c1cnccn1 19374845 NAYANXQHXLQHKC-UHFFFAOYSA-N 352.394 1.710 0 40 FDAB CCN1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526730 RZXDLOXJDMNYRB-APNQJHFZSA-N 350.802 1.537 0 40 FDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 19590903 VPUAWHWFHZIGPX-UHFFFAOYSA-N 366.425 1.106 0 40 FDAB Cc1ccc2oc(=O)n(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c2c1 19658291 XFGSWJJEMOWTEX-UHFFFAOYSA-N 366.377 1.732 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706147 IQBMBIVTTNRVSJ-INIZCTEOSA-N 372.473 1.667 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 19974100 ZSXUWARRBCJLCN-LBPRGKRZSA-N 370.388 1.863 0 40 FDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ncon1 154578333 PQXHZKIMFSSVQX-STQMWFEESA-N 364.427 1.348 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 207292055 YLDLTKCLLBIGAG-LUVWLHFXSA-N 368.389 1.284 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)C[C@@H](C)O1 102899843 LTDUCPHGLJLPIF-JHJVBQTASA-N 364.467 1.881 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2ccccn2)C1 521396666 DJLWLRTWKXAMSR-IJEWVQPXSA-N 351.472 1.396 0 40 FDAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)c1F 244942669 CUFINOIKGBBDMX-SECBINFHSA-N 371.356 1.913 0 40 FDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(-n2cccn2)cc1 253407909 WWWNUILNOGNZEY-KBRIMQKVSA-N 363.439 1.487 0 40 FDAB CN([C@@H]1CCN(c2ncc(Br)cn2)C1)S(=O)(=O)C1CC1 1888844640 UPUDTIVFIUTTHJ-SNVBAGLBSA-N 361.265 1.242 0 40 FDAB Cc1ncnc(N2CCN(c3nc4ccccc4c(=O)n3C)CC2)c1F 1888876031 AZHVYZVKJTUBFQ-UHFFFAOYSA-N 354.389 1.498 0 40 FDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1ccc2nccnc2c1 1888890901 TWJPKWIOLFIMMP-UHFFFAOYSA-N 363.299 1.635 0 40 FDAB Cc1nnc(CN2CC[C@@H](Oc3ccncc3Br)C2)n1C 1849312266 XTLVIZPEGWVCAK-LLVKDONJSA-N 352.236 1.934 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3nncs3)cc(C3CC3)nc21 28937068 SZMUIXXUCLTUNW-UHFFFAOYSA-N 372.410 1.476 0 40 FDAB Cn1cc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037984443 BNNYIBJXLFJZRP-LJQANCHMSA-N 354.410 1.316 0 40 FDAB Cc1ncc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037985111 YCDRDQGVQHBAGZ-JFIYKMOQSA-N 370.384 1.047 0 40 FDAB Cc1ncc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)c(C)n1 2056224781 VHUQUKMFHYLRMR-MRXNPFEDSA-N 369.494 1.978 0 40 FDAB Cn1cnc(C(=O)N2CCN3CCc4c(ncn4CC4CCCC4)[C@H]3C2)n1 1614934568 UBRHRVMPXNHMDO-MRXNPFEDSA-N 369.473 1.257 0 40 FDAB Cc1nc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cs1 1614934643 SAVPVGDYLWFFJC-GOSISDBHSA-N 371.466 1.410 0 40 FDAB CC(C)c1ocnc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 2087128968 CFOBGZPKYGDZEW-UHFFFAOYSA-N 372.473 1.747 0 40 FDAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccsc1 1565546932 BNRRCAJCKBMRGA-MRXNPFEDSA-N 368.430 1.601 0 40 FDAB COc1ccc(CC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 11739540 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FDAB CCc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CCNC3=O)CC2=O)cc1 24077524 QOQTVJOHYDCGOQ-JSGCOSHPSA-N 373.409 1.085 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C 24573503 HDDJPTMUWORHFE-AWEZNQCLSA-N 351.447 1.505 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 3242819 YFFGIJJNJXDUMD-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB CSCC[C@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O 3289334 BZKFGRNXEYERHW-OLZOCXBDSA-N 363.391 1.263 0 40 FDAB O=C(NCc1ccccc1Cn1ccnc1)c1cnc2n(c1=O)CCS2 25666183 DUYPEBBSZHWAGA-UHFFFAOYSA-N 367.434 1.524 0 40 FDAB CNC(=O)c1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1 25626700 PWFHRUORMCEQQU-UHFFFAOYSA-N 352.394 1.016 0 40 FDAB C[C@H](NC(=O)c1ccc(Br)cc1F)C(=O)N1CCOCC1 58282031 HATXIFAYMOLJJQ-VIFPVBQESA-N 359.195 1.565 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCc2ccccc21 58406741 VMXXWZPHANZKHG-NHYWBVRUSA-N 363.439 1.762 0 40 FDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccccc1O 58423489 RWXOPPUQTIHGIQ-SFHVURJKSA-N 365.389 1.806 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1ccccc1 36329870 DNDJTPSTNDGXEP-UHFFFAOYSA-N 368.437 1.540 0 40 FDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 3406735 ISMUXAXWXZKPJT-UHFFFAOYSA-N 367.789 1.878 0 40 FDAB CCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(=O)c2cc3c(cc21)OCO3 13689948 ZYBRTEQRZLPFOL-UHFFFAOYSA-N 371.393 1.054 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 4469387 UUMVWKMITSDTJU-UHFFFAOYSA-N 359.426 1.812 0 40 FDAB O=C(NCCNC(=O)c1ccccc1F)c1ccc(N2CCOC2=O)cc1 65476775 IESJRAHIKIDCSD-UHFFFAOYSA-N 371.368 1.942 0 40 FDAB C[C@H](OC(=O)c1ccccc1SCC(=O)NCc1ccco1)C(N)=O 5336509 UQGKTBWSHPQEQA-NSHDSACASA-N 362.407 1.719 0 40 FDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(N2CCCC2=O)cc1 14141689 OMMGNIVNDVCOTJ-UHFFFAOYSA-N 369.425 1.537 0 40 FDAB O=S(=O)(Nc1ncn(Cc2ccc(F)cc2)n1)c1cccc2nonc12 14250850 YMXGQWHWVQZRDQ-UHFFFAOYSA-N 374.357 1.803 0 40 FDAB Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cn2nc1C 6665026 AJMJQNLDLXWNJZ-UHFFFAOYSA-N 365.846 1.916 0 40 FDAB CCN(CC)C(=O)c1cccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)c1 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ZHMRBBKJJFWTAU-JXFKEZNVSA-N 359.470 1.666 0 40 FDAB CO[C@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H](C(=O)O)C1 568290512 LJKPVXKHWXTALA-RYUDHWBXSA-N 361.354 1.529 0 40 FDAB Cc1cccc(OCc2cn(CC(=O)NCCC(=O)NC(C)C)nn2)c1 227161405 XZZRAMLQTYNRQI-UHFFFAOYSA-N 359.430 1.196 0 40 FDAB C[C@H](NC(=O)c1ccc(F)cc1I)C(=O)N(C)C 48220999 OMXUHUJEMSFPHW-ZETCQYMHSA-N 364.158 1.637 0 40 FDAB CNc1ccccc1C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 574420156 WEMLWRRACNOMPM-UHFFFAOYSA-N 371.462 1.945 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)CC1 225708684 RNKOVMMNPOLNSH-UHFFFAOYSA-N 369.512 1.970 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@]1(O)CCc2ccccc21 75155708 SQKLVMOJLMOFRY-IBGZPJMESA-N 359.447 1.801 0 40 FDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1 96069074 DQAHWLLXTULHRE-CVEARBPZSA-N 350.390 1.145 0 40 FDAB Cn1cccc1C(=O)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96229156 WXKLKSGDQXBISX-IBGZPJMESA-N 355.442 1.574 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 96056966 MJQQMYQUMRYTLZ-MAUKXSAKSA-N 350.415 1.396 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)Nc2ccccc2)C[C@]2(CNC(=O)C2)C1 96143347 NUVSXCOCMXULIB-SFHVURJKSA-N 359.430 1.024 0 40 FDAB Cc1noc(C)c1CCC(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257214755 CNHVAGLWBJGENM-IBGZPJMESA-N 358.442 1.767 0 40 FDAB O=C(O)CCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257291168 QFYOEFYSNMZPBX-PBHICJAKSA-N 360.410 1.082 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](OCC(=O)N2CCCC2)C1 251998394 LMASEFLQOMCGDJ-KRWDZBQOSA-N 373.457 1.511 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3cnc4ncccn34)cn2)C1 257303302 SGRAFDISJGGCNQ-GFCCVEGCSA-N 358.427 1.325 0 40 FDAB CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C(=O)C2CCCC2)C1 1775997139 WVOLFHQWINMKML-IRXDYDNUSA-N 351.491 1.787 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)C1=O 604971178 RBHJFFDJQMEOCK-UHFFFAOYSA-N 358.398 1.022 0 40 FDAB CN(CCN1CCCC1=O)S(=O)(=O)CCc1noc2ccccc12 631955621 NWALVGFEKIGUDW-UHFFFAOYSA-N 351.428 1.254 0 40 FDAB CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1616028928 LNIDMQWWQYAQOG-PMPSAXMXSA-N 351.472 1.608 0 40 FDAB Cc1ncc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)n1-c1ccccc1 643755401 TWQOTFVQBRRKBL-HXUWFJFHSA-N 356.470 1.986 0 40 FDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3c(C)noc3C)C2)cc1 96378031 ZTKTVDNUSFEHOA-UHFFFAOYSA-N 350.396 1.598 0 40 FDAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@H](CN1CCCC1)C2 585103768 JASGDGZNZIHRHU-INIZCTEOSA-N 365.499 1.737 0 40 FDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCN(c2ccc(O)cc2)CC1 680421997 VLFVBJFVGMDHLE-SFHVURJKSA-N 369.421 1.917 0 40 FDAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCS(C)(=O)=O 56880154 JILPASDHPHSJRY-UHFFFAOYSA-N 356.425 1.676 0 40 FDAB Cc1cc(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)c(C)o1 585322289 FFWKIUJYPQUADD-UHFFFAOYSA-N 351.428 1.708 0 40 FDAB C[C@]12CN(Cc3ccc(Cl)cc3)C[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 1616033187 MKZVDSACFNQOKN-ZSZQSSIHSA-N 361.873 1.756 0 40 FDAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 5241592 AVAKEYIVCHGKAJ-ZDUSSCGKSA-N 372.377 1.819 0 40 FDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4ccccc4F)C3)c2n1 12085011 IDDWBTVEFDBVCR-GFCCVEGCSA-N 370.388 1.927 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(C)C 17128165 MFCAFBFLRRPOHY-UHFFFAOYSA-N 356.444 1.102 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c(F)c1 573915082 HVFQLUYYSXWXTP-UHFFFAOYSA-N 369.404 1.928 0 40 FDAB CC(C)c1nc(S(=O)(=O)NCC2CCN([C@H]3CCOC3)CC2)cn1C 575608112 QOSUACFCUOPCIZ-HNNXBMFYSA-N 370.519 1.323 0 40 FDAB O=C([C@@H]1CN(Cc2csc(C3CCCC3)n2)CCO1)N1CCOCC1 1889111375 GGUINAPEXIIXOP-INIZCTEOSA-N 365.499 1.860 0 40 FDAB COCCn1nc(C(=O)NCCOc2ccc3ccccc3c2)ccc1=O 13988420 GMQRDVXMZSBEJZ-UHFFFAOYSA-N 367.405 1.852 0 40 FDAB Cc1nn(C)cc1NC(=O)CN1CCC[C@@](O)(COc2ccccc2)CC1 2037916119 PDLVYYHSLHNZJH-FQEVSTJZSA-N 372.469 1.963 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)c1csnn1)C2 1565553426 YLAOICNDEUJSDG-SUMWQHHRSA-N 357.439 1.444 0 40 FDAB CC(C)N(C)CC(=O)N1CC[C@@H]2C[C@@H](C(=O)NCc3ccco3)O[C@H]2C1 1565546630 BFNYLCDBIRSQSI-PVAVHDDUSA-N 363.458 1.242 0 40 FDAB O=c1cccnn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 11856372 OZJDCQHYVYATKT-UHFFFAOYSA-N 355.419 1.889 0 40 FDAB CCCN1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1 12229329 AOVCKBICONMEEF-UHFFFAOYSA-N 361.471 1.909 0 40 FDAB CCOc1ccc(-c2cc(=O)n(CC(=O)NC[C@H]3CCCO3)cn2)cc1 13809093 NZNVDYMFEIYBKG-MRXNPFEDSA-N 357.410 1.604 0 40 FDAB CCOCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)N(C)C)CC1 2055747507 CMLBPOQJEOBPNN-UHFFFAOYSA-N 363.458 1.593 0 40 FDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731605 JICDHQJPHLFKIV-HZPDHXFCSA-N 373.428 1.597 0 40 FDAB Cc1ccc(O[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nn1 225424943 CZTRGFSQQIJSGL-CYBMUJFWSA-N 354.366 1.373 0 40 FDAB CC(C)C[C@@H](N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 19446762 FGWFWZDGEYZKJS-QGZVFWFLSA-N 371.485 1.471 0 40 FDAB Cc1cc(=O)n2nc(NCC3(N4CCOCC4)CCCCC3)sc2n1 40039763 XPZLYBCIYQZSMX-UHFFFAOYSA-N 363.487 1.906 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(Cl)c1OC 40033844 LBNGGYHTCWPKQQ-UHFFFAOYSA-N 367.789 1.171 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099574 DTRMXFMBYKTNBQ-BETUJISGSA-N 356.378 1.753 0 40 FDAB COC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1 40155696 HGGDEEAZEORMMH-OAHLLOKOSA-N 373.453 1.935 0 40 FDAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1ccc2c(c1)OCCO2 31352310 KHSVKNCQCNYYIP-SFHVURJKSA-N 368.389 1.906 0 40 FDAB Cc1nc(C)c(CCC(=O)NCCc2cnn(-c3ccccc3)c2)c(=O)[nH]1 11167457 MHCVZJSXEMUFBS-UHFFFAOYSA-N 365.437 1.864 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)Nc1cc(F)ccc1F 7348961 DOWZIDWGKZTCLU-SNVBAGLBSA-N 370.381 1.759 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 4543996 SCFSYXWTXWATKA-OGRXGRENSA-N 357.337 1.359 0 40 FDAB O=C(NCCc1nnc2ccccn12)[C@@H]1CCCN(c2ncccn2)C1 32425465 SHIVGHJWDSEFNL-CQSZACIVSA-N 351.414 1.095 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOC(C)C)cc1 6159880 ZCFKSHUCWCEXSG-ZDUSSCGKSA-N 358.460 1.293 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1 32551836 JKMBMOSXWNHFMA-UHFFFAOYSA-N 361.467 1.987 0 40 FDAB COc1ccc(C)cc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 7976641 WQSRMLQHFTXDNG-UHFFFAOYSA-N 369.381 1.854 0 40 FDAB CC1CCN(CCCNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 102186261 ILXKRUZKEDJTEO-UOVPBQLFSA-N 359.470 1.032 0 40 FDAB CC(=O)NCc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 32736644 IFTHZNYKQRLSNW-UHFFFAOYSA-N 357.391 1.749 0 40 FDAB CN(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 10111511 RYRVOHNVJLPQBQ-UHFFFAOYSA-N 361.467 1.560 0 40 FDAB COc1ccccc1OCC(=O)NC[C@@H](c1ccco1)N1CCOCC1 15831803 DMJUXXYTWAYZGH-HNNXBMFYSA-N 360.410 1.857 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccco2)NC(=O)N[C@H]1c1ccco1 9603104 LCGSEVITGFRMHS-AWEZNQCLSA-N 360.322 1.901 0 40 FDAB CC(=O)N1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1 22057331 NANLWSFGEALPMJ-UHFFFAOYSA-N 359.348 1.366 0 40 FDAB O=C1COc2cc(C(=O)OCC(=O)N3CCc4ccccc4C3)ccc2N1 22257222 HWTBZKATZPTDRF-UHFFFAOYSA-N 366.373 1.759 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 103061665 IKFYHIOQTGFGHI-OKILXGFUSA-N 356.378 1.738 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 23224540 UAUQPMCSDNKUKU-GFCCVEGCSA-N 366.356 1.793 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1)N1CCCC1 23931588 VOMJILOYIZODGU-UHFFFAOYSA-N 355.482 1.946 0 40 FDAB Cc1ccc(C)c(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c1 24148190 IPQUDSSSWJXCAX-KRWDZBQOSA-N 363.458 1.397 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1 24362078 JKRMIOUBOVSFLJ-CQSZACIVSA-N 357.428 1.337 0 40 FDAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 55591291 HCDQRJQSVGYQNQ-JTQLQIEISA-N 358.847 1.853 0 40 FDAB CC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12556588 JCUOHDJTDBCDJO-LBPRGKRZSA-N 366.487 1.671 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 12568657 MVAKIVYCUUVBGD-CWSCBRNRSA-N 366.414 1.599 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccsc1 25329592 GRTYXEDDNFQDAP-MRXNPFEDSA-N 356.451 1.877 0 40 FDAB C[C@H]1CCCN(CC2(Cc3ccccc3)C(=O)N(C)C(=O)N(C)C2=O)C1 61958049 AQOWHQQXYIGLNA-HNNXBMFYSA-N 357.454 1.998 0 40 FDAB CCNC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3294256 LVZYBEBCJZRVEZ-UHFFFAOYSA-N 352.346 1.780 0 40 FDAB Cc1nn2c(=O)/c(=C\c3cccc(Br)c3)sc2nc1=O 27019861 KWOMKGIIGJARQL-UXBLZVDNSA-N 350.197 1.130 0 40 FDAB Cc1nc2n(c1CCNC(=O)Nc1ccc(-n3cncn3)nc1)CCCC2 58023127 CWUUFTWNSVRNRE-UHFFFAOYSA-N 366.429 1.868 0 40 FDAB CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 58210817 AQESWRPMAMQNKB-ZIAGYGMSSA-N 373.544 1.748 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccco2)CC1 45155891 GBGNRRLIXSZPJM-MRXNPFEDSA-N 363.439 1.656 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2NC1=O 28488631 MMVRCUPFTPSXDY-SNVBAGLBSA-N 355.350 1.522 0 40 FDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 49544773 AFFPRSMUTUKSSS-KRWDZBQOSA-N 372.469 1.814 0 40 FDAB CCCCCCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O 13957052 RSYNCSLSNRIJKA-UHFFFAOYSA-N 355.460 1.480 0 40 FDAB CCOc1cc(C(=O)N2CCNC(=O)C2)cc(Br)c1OC 6510813 ISFHXZRJFJQRRD-UHFFFAOYSA-N 357.204 1.428 0 40 FDAB Cc1ccc(S(=O)(=O)NCCc2cn3nc(C)c(C)nc3n2)cc1C 6665643 DRAYXANGGOUGAO-UHFFFAOYSA-N 359.455 1.879 0 40 FDAB CC(=O)NCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 6639910 VHDGFWZKCYBWIK-OAHLLOKOSA-N 353.850 1.737 0 40 FDAB O=C1NC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21 5881823 OTTMKNNBOAZAAY-UHFFFAOYSA-N 353.359 1.919 0 40 FDAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCNC1=O 7089197 ITHNDUJNPFTTOW-LLVKDONJSA-N 362.367 1.226 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(N)=O)cc1 15340343 TZKPXBXQIOTEPB-LLVKDONJSA-N 359.386 1.712 0 40 FDAB O=C(Nc1ccnn1Cc1ccccn1)[C@@H]1CC(=O)N(Cc2ccco2)C1 8345140 NQZHOKJMECTLHR-CQSZACIVSA-N 365.393 1.907 0 40 FDAB CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(CCO)C3)c1C 69926497 WXVTVOKHCSWBCN-UHFFFAOYSA-N 371.485 1.845 0 40 FDAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@H](O)CO)c(C)c12 8879372 AYMWDTYMOWJTAK-LBPRGKRZSA-N 359.378 1.476 0 40 FDAB biogenic O=C(CCc1ccc(-n2cnnn2)cc1)Nc1nnc([C@H]2CCCO2)s1 71286649 UKERAGFOWHXTTR-CYBMUJFWSA-N 371.426 1.937 0 40 FDAB Cn1ncnc1CCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 87191563 YSIQIJUWNJIMOY-CQSZACIVSA-N 351.357 1.419 0 40 FDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCc2ccccc21 19797390 HRPQQMUAHIIDCU-UHFFFAOYSA-N 356.403 1.956 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccncc1 96231960 ULGBAYDPHIVIPH-KRWDZBQOSA-N 366.421 1.641 0 40 FDAB Cc1cccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)c1 71772137 UNARXXHZQQJPDJ-UHFFFAOYSA-N 350.469 1.753 0 40 FDAB CC1CCN(CCNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1 72294491 UUJATXGGAQMQRT-UHFFFAOYSA-N 356.492 1.163 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(Cc2nccs2)Cc2ccnn21 306137185 QOCDGTHLJROANT-INIZCTEOSA-N 368.466 1.950 0 40 FDAB CC(C)CC(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306143804 YNGGYVWKFAHPDL-HNNXBMFYSA-N 366.483 1.660 0 40 FDAB COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24690189 GIMSGIIRFHFQMC-KUCQQTCKSA-N 352.456 1.639 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)NC1CCCCC1 546960738 ZMQGXQUQHQPDMO-UHFFFAOYSA-N 374.846 1.765 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4cscn4)C[C@@H]23)n1 306136030 PGZKNGWWKIAVND-YDHLFZDLSA-N 360.439 1.798 0 40 FDAB Cc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)o1 72335565 HBYWIKIMXTYUFC-ZIAGYGMSSA-N 358.442 1.843 0 40 FDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1OCC(N)=O 524732043 UUSZCCWHODFCND-LBPRGKRZSA-N 372.377 1.007 0 40 FDAB biogenic C[C@]1(c2ccc(C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)NC(=O)NC1=O 533044609 MZRAVQOXRAFSOL-STXHMFSFSA-N 371.437 1.630 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc2nc(C(F)F)[nH]c2c1 533573745 CWDARAQGMFEMIC-SNVBAGLBSA-N 372.397 1.654 0 40 FDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217535109 BJNIDTBQLITHMW-WDEREUQCSA-N 360.432 1.145 0 40 FDAB CC(C)(C)N1C[C@@H](NC(=O)COc2ccc3c(c2)NC(=O)CC3)CC1=O 1565524837 QBZZNJQCRHKNOX-ZDUSSCGKSA-N 359.426 1.466 0 40 FDAB Nc1nc(N2CCC(C[C@H]3CCCCO3)(C(=O)O)CC2)c2cn[nH]c2n1 71575383 MTXZWTSMQKQGSJ-LLVKDONJSA-N 360.418 1.566 0 40 FDAB O=C(c1csc(-c2cnccn2)n1)N1CCN(c2ccccn2)CC1 44124164 OXYOQHDFTROVMA-UHFFFAOYSA-N 352.423 1.958 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 80687649 UTHYURJYKYUPBK-UHFFFAOYSA-N 353.444 1.705 0 40 FDAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2nncs2)CC1=O 96232086 BATRYWPWEUIRRQ-NSHDSACASA-N 362.411 1.413 0 40 FDAB CC(C)CN1CCN(C)C(=O)C12CCN(C(=O)c1cscn1)CC2 96230264 UVEXZOMMYORNGG-UHFFFAOYSA-N 350.488 1.548 0 40 FDAB CNC(=O)N1CCc2cc(C(=O)NC(C)C)c(NCC3CC3)nc2CC1 96260604 GCMJUUYQSRJCFQ-UHFFFAOYSA-N 359.474 1.782 0 40 FDAB O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(C(=O)NC3CC3)C2)C1 96226098 NONOFMLMAYCFRG-GOSISDBHSA-N 360.389 1.535 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106913 IWKKSEHLIFYLJO-INIZCTEOSA-N 354.410 1.852 0 40 FDAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N1CCOC[C@@H]1C(N)=O 583619961 RLZSMNLNRRACAH-YRNRMSPPSA-N 358.438 1.563 0 40 FDAB CSc1ccc(N2C[C@@H](C(=O)N3CC[C@H](c4nc[nH]n4)C3)CC2=O)cc1 583689290 GAFMOSGWVUCYOW-STQMWFEESA-N 371.466 1.896 0 40 FDAB Cn1ccc(CNC(=O)CCCn2cc(COc3ccccc3)nn2)n1 252481620 CPNGPKHUHICRTR-UHFFFAOYSA-N 354.414 1.687 0 40 FDAB CN(C)S(=O)(=O)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 257245373 IPENSGLGOXIBJW-INIZCTEOSA-N 366.418 1.462 0 40 FDAB COc1cc(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)nc(OC)n1 257237901 HITAGOVDSZGTJO-AWEZNQCLSA-N 357.414 1.932 0 40 FDAB CN(C)c1cc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)nc2ccccc12 643998257 BQDKHUMXQQMBSD-LJQANCHMSA-N 356.426 1.143 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)c1 659999857 XJNFGDAUFOTYLD-GXTWGEPZSA-N 353.448 1.254 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390826860 QHSHDIJMGIPNHN-QGZVFWFLSA-N 360.391 1.603 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CSCN3C(C)=O)c2)n1 48356556 JYWKIIAQAMFDEF-OAHLLOKOSA-N 372.450 1.859 0 40 FDAB Cc1ccn2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)nc2c1 55103807 MLWQIOAUFDUVIH-HNNXBMFYSA-N 356.426 1.354 0 40 FDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(CCn2cccn2)CC1 64030782 OUPYRRDWAVZVBA-UHFFFAOYSA-N 354.863 1.543 0 40 FDAB Cc1ccc(CNC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 585188717 KUVYPYVPYAPRRW-OAHLLOKOSA-N 373.478 1.970 0 40 FDAB COC(C)(C)C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156091 JZAWOCLLTREEDF-LJQANCHMSA-N 364.417 1.975 0 40 FDAB Nc1nccc2c1CN(C(=O)c1cccc(C(=O)N3CCCC3)n1)CC2 1642212198 JKWKHDBQMKNTMV-UHFFFAOYSA-N 351.410 1.493 0 40 FDAB COC(=O)Cn1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)c2ccccc21 12145334 KJFFRWYJNZZREB-UHFFFAOYSA-N 366.421 1.764 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)N1CCCCC1 12908720 WOKAWPXXQPDQFU-CQSZACIVSA-N 362.426 1.759 0 40 FDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc21 16489252 DDBNPNSVODYDBV-UHFFFAOYSA-N 372.406 1.431 0 40 FDAB CC1=C(C(N)=O)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 18996501 DLKPLUACSYRBTO-JYRVWZFOSA-N 366.377 1.036 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C[C@@H]3CCOC3)C2)c2cccnc21 19021799 FHSZIBHPEQJNMR-HOTGVXAUSA-N 357.458 1.393 0 40 FDAB Cc1cnc2c(C(=O)NCc3ccc(CN4CCOCC4)cc3)cnn2c1 19239335 VGXAVDBDJQQEEK-UHFFFAOYSA-N 365.437 1.800 0 40 FDAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)no1 19286082 RTQZHQNXHOGEJW-UHFFFAOYSA-N 362.411 1.156 0 40 FDAB COc1ccccc1OCC(=O)N1CCC(O)(Cn2ccnc2C)CC1 19287875 WTOBVIZKLUWASV-UHFFFAOYSA-N 359.426 1.633 0 40 FDAB C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCCN2CCOCC2)nn1 19458707 LUPHZQCXHMPVGM-AWEZNQCLSA-N 361.421 1.479 0 40 FDAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19460475 LMSTUVOHDMVGER-GXTWGEPZSA-N 358.442 1.170 0 40 FDAB COc1ccc(Cl)cc1C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1 19559113 ZQAVDFWIICRQED-UHFFFAOYSA-N 362.817 1.962 0 40 FDAB COC(=O)Cn1nc2nnc(-c3cccs3)c(-c3cccs3)n2c1=O 19592508 PYGZDNXZDLFLAM-UHFFFAOYSA-N 373.419 1.916 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704606 IHBQVGIPWILZER-LBPRGKRZSA-N 368.434 1.724 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC)C1)C2=O 19700018 JVQJEXMBCCIBLW-AWEZNQCLSA-N 350.463 1.184 0 40 FDAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(CCOc1ccc(F)cc1)C2 19707876 IEWXGXRZTHFNHG-QGZVFWFLSA-N 373.432 1.995 0 40 FDAB CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CC2CCCC2)CC3)CC1 19708909 GFONVPSZNBGHDU-UHFFFAOYSA-N 373.501 1.969 0 40 FDAB Cc1cc(NC(=O)CN2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)no1 19767348 HMVBMCRRUDLTHE-HNNXBMFYSA-N 371.441 1.898 0 40 FDAB CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(N(C)C)ccn2)CC1 152774473 IDOFAKXRNOHWBS-UHFFFAOYSA-N 368.503 1.328 0 40 FDAB Cn1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)c1 645701341 PKFZJZTWZIDDAS-YJBOKZPZSA-N 355.442 1.517 0 40 FDAB COc1nn(C)cc1C(=O)NC[C@H](c1ccoc1)N1CCSCC1 253408677 YLUWBTYLEQWPLO-CQSZACIVSA-N 350.444 1.542 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccc(Br)cc1 6326114 XMYLDQDBOBKCIF-SECBINFHSA-N 373.203 1.605 0 40 FDAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc(OC)c(F)c1 28726981 OJPYVUQFMWURTD-KRWDZBQOSA-N 372.462 1.350 0 40 FDAB CCc1nnsc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 29986311 JSLGVMFCGBVZEV-UHFFFAOYSA-N 373.482 1.175 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 2056224798 WEMACZLRZLQGIM-GJZGRUSLSA-N 361.352 1.876 0 40 FDAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565544703 QURSZWLNEWMESN-MSOLQXFVSA-N 356.401 1.270 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250862 IWYXSVIAFLIHFC-GFCCVEGCSA-N 355.398 1.886 0 40 FDAB CCOC(=O)c1c(SCC(=O)Nc2nc(C)cs2)nc(=O)[nH]c1C 4317614 LLOIVBXOTIRTAL-UHFFFAOYSA-N 368.440 1.751 0 40 FDAB Cc1ccc(CC(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)cc1 19209256 SECABUCIZQVPMM-INIZCTEOSA-N 364.453 1.652 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1 102224756 DFIGHUIBAWSHJD-ZIAGYGMSSA-N 364.409 1.957 0 40 FDAB Cc1nc(CCNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cs1 40049911 IANONAVQLRYTMB-UHFFFAOYSA-N 364.471 1.707 0 40 FDAB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)NCC(=O)N1CCCC1 50783537 FPFDGMLQVZATFS-UHFFFAOYSA-N 372.469 1.382 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1c(C)nsc1NC)c1ccccc1 16554240 DEJWMDPUFGIJCR-LBPRGKRZSA-N 362.411 1.847 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1 11591439 CKSVPRAEYPAAAS-LJQANCHMSA-N 351.362 1.855 0 40 FDAB CC(=O)N(Cc1cc2cc(C)c(C)cc2n2nnnc12)C[C@@H]1COCCO1 1329012 NHJRMBVKEZEINK-QGZVFWFLSA-N 369.425 1.658 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c1ccccc1 20567840 BEFSWUXXPAETIO-UHFFFAOYSA-N 373.544 1.947 0 40 FDAB C[C@H](Sc1nnc(CCC(N)=O)n1C)C(=O)NC1CCCCCC1 8175365 HSZVAEMRXPBCIK-NSHDSACASA-N 353.492 1.553 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1 10385144 NWMWAJRYMKHCNA-VXGBXAGGSA-N 356.831 1.832 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CSc2ccc(F)cc2)CC1 21823746 OEYJZYSMEVMEQK-ZDUSSCGKSA-N 365.474 1.729 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)ccc1C 52939076 DGVWWFNUNDUJHS-AWEZNQCLSA-N 367.471 1.355 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420282 KAQGEQOXRPWPJX-YGTYGHESSA-N 360.410 1.282 0 40 FDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2ccc(F)cc2)n1 20718757 SUUUFKLDYJVGMR-UHFFFAOYSA-N 359.313 1.979 0 40 FDAB Cn1c(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccccc3)cnc2n(C)c1=O 24985004 HLHBELFYMWWDKU-MRXNPFEDSA-N 364.405 1.610 0 40 FDAB COC(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1OC 35161580 KDMNWYKEGVKFIG-UHFFFAOYSA-N 352.206 1.251 0 40 FDAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3[nH]c(=O)[nH]c(=O)c32)c1 61718440 JHURMTDHDXCTFX-ZETCQYMHSA-N 364.745 1.439 0 40 FDAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccc(Cl)cc2)N1CCO 35385033 ASYXQBYECQUGTH-NVXWUHKLSA-N 367.854 1.981 0 40 FDAB CCOC(=O)c1sc2nc([C@H](C)N3CCOCC3)[nH]c(=O)c2c1C 23673733 WNGHDAWFGIXIDK-JTQLQIEISA-N 351.428 1.863 0 40 FDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525700 GHCSPLBVWPSBOQ-UHFFFAOYSA-N 366.377 1.297 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 8279662 IFEIUHBYFUJYCN-ORAYPTAESA-N 373.409 1.005 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1 3319482 SIFGWEMKYYWVIP-UHFFFAOYSA-N 368.389 1.558 0 40 FDAB COc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1OC(F)F 3489840 ZACQFBYMBZIEFB-NSHDSACASA-N 359.325 1.749 0 40 FDAB Cc1ccc(OCc2nn(CC(=O)N3CCN(C)CC3)c(=S)o2)cc1 409165880 BGDPPSZVFWXLDV-UHFFFAOYSA-N 362.455 1.867 0 40 FDAB O=C(Nc1nc[nH]n1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6414110 UQSOWZUNMVMNPT-UHFFFAOYSA-N 369.834 1.885 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc2c(c1)OCCO2 14124939 ZYVZGIGQNIWJAD-MRXNPFEDSA-N 367.405 1.309 0 40 FDAB CCCCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 14138195 BHOMOWSMRAKEQE-CQSZACIVSA-N 371.503 1.488 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3=COCCO3)cc2)CC1 14627232 AODNBHSUKVYYCB-UHFFFAOYSA-N 366.439 1.934 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(NC4CC4)SC3)ccc21 8987646 GBTUJMGGXQFCJP-UHFFFAOYSA-N 364.496 1.958 0 40 FDAB CC(C)N1CCC2(CC1)NC(N)=Nc1nc3cc4c(cc3n12)OCCCO4 7738306 GZXMMIXWJJCQER-UHFFFAOYSA-N 370.457 1.904 0 40 FDAB O=C(NCCCOCc1ccccc1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 9689700 JGRVFOBFKPYJKA-UHFFFAOYSA-N 353.378 1.553 0 40 FDAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(N2CCOCC2)N1 9225277 OSYIQFGULZWNIR-CYBMUJFWSA-N 350.806 1.164 0 40 FDAB C[C@@H](O)[C@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 96003347 VTQJIWSSCFKIHY-SUBBQANTSA-N 352.456 1.196 0 40 FDAB Cc1c(I)cccc1NC(=O)[C@@H](C)S(C)(=O)=O 96004521 SNKSTUYSYMCNBH-MRVPVSSYSA-N 367.208 1.971 0 40 FDAB Cc1cccc(OCC(=O)NCCNC(=O)c2nc(C3CC3)no2)c1C 21453704 KYXHQCPOTXUGAS-UHFFFAOYSA-N 358.398 1.489 0 40 FDAB C[C@]1(c2cccnc2)NC(=O)N(C[C@H]2CN(c3ccccc3)C(=O)O2)C1=O 97148266 VKTUWFZVUZWPSC-DNVCBOLYSA-N 366.377 1.874 0 40 FDAB CCCCCCN(CCN1CCOCC1)CC(=O)NC(=O)NCC(C)C 72308252 FTYHWPQNQPYCRS-UHFFFAOYSA-N 370.538 1.683 0 40 FDAB COC(=O)c1c(CC(=O)NC[C@](C)(O)c2ccco2)[nH]c(C(C)=O)c1C 72306633 SSAUQDCZRPYQGB-SFHVURJKSA-N 362.382 1.472 0 40 FDAB COc1cccc(CN2CCOC[C@H]2CC(=O)NCc2c(C)n[nH]c2C)c1 72448305 FPROKEYEWWWXDX-QGZVFWFLSA-N 372.469 1.942 0 40 FDAB CCOC(=O)CCCNS(=O)(=O)c1cnn(-c2ccc(F)cc2)c1C 79094639 CVAJNWARODLDHR-UHFFFAOYSA-N 369.418 1.941 0 40 FDAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23315275 KFDARVMRGCMIGP-MRXNPFEDSA-N 353.422 1.946 0 40 FDAB COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)nn1 95941052 LMZWGQUOQVQRHQ-WBMJQRKESA-N 372.381 1.068 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COc1ncccc1F)CCS2(=O)=O 306134550 NRHRNHCNUUXBAW-FRRDWIJNSA-N 368.430 1.271 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CC(=O)NCc3ccccn3)C2)cn1 306135196 OKKLUVVMLGAKRX-SFHVURJKSA-N 365.441 1.275 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(C3CCC3)C[C@@H]1C2 306130905 JSIHTVIVEOMYFY-HOTGVXAUSA-N 351.454 1.865 0 40 FDAB COC(=O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 30870957 YEWLFCFMPBSLBO-UHFFFAOYSA-N 374.846 1.737 0 40 FDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(OC)cc1 71980266 QWTSQZVHYRCUQO-INIZCTEOSA-N 362.426 1.823 0 40 FDAB C[C@H]1CN(C(=O)N=c2nc(Cc3ccc(F)cc3)[nH]o2)CC[S@@](=O)C1 563103164 KWRLGXIKHHVJNW-JPQMIFPKSA-N 366.418 1.454 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Br 226628433 ZHPPUSPCAJHRPV-ASHKBJFXSA-N 350.168 1.254 0 40 FDAB CC[C@H](O)CN1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 89943374 OJLMNUJXMCWDFS-LBPRGKRZSA-N 366.405 1.873 0 40 FDAB O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1cn(C[C@@H]2CCOC2)nn1 528771518 OLHIMSGYUZVBEU-LBPRGKRZSA-N 372.429 1.774 0 40 FDAB O=C(c1cccs1)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2 96051408 BMBBKKWVJMZRPE-QGZVFWFLSA-N 362.407 1.616 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@]2(C(=O)O)CN(c3ccccn3)C[C@@H]2C1 96064277 BMBRIQFTYSQWES-DOXZYTNZSA-N 359.426 1.248 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(N(C)C)n1 96101154 NUPHDRNHMDLCOF-UHFFFAOYSA-N 371.441 1.857 0 40 FDAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3c(C)nn(C)c3C)OCC(=O)N2C)cc1 96181401 RYDZDGREMDDDAJ-QZTJIDSGSA-N 356.426 1.882 0 40 FDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5nnc(C6CCOCC6)s5)[C@@H]4[C@H]3[C@@H]12 578810025 PWJSISQKADRARM-MJAFNGNTSA-N 357.435 1.698 0 40 FDAB CCOc1ncccc1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257303987 SJPRCBHNKCBUKP-BRWVUGGUSA-N 357.410 1.966 0 40 FDAB CN(C)[C@H]1CC2(CCN(C(=O)Cc3cccs3)CC2)OC[C@]1(C)O 257228241 FSZILVUUKRTMFX-RDJZCZTQSA-N 352.500 1.753 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@H](c3nccnc3-c3cncn3C)C2)n1 257220549 DLEXDQNVJURUSF-CYBMUJFWSA-N 351.414 1.630 0 40 FDAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 264195128 NVXNQSPSILCRMM-UHFFFAOYSA-N 364.427 1.718 0 40 FDAB COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 611583310 FWHLRCOLOKWSFK-MRXNPFEDSA-N 363.439 1.979 0 40 FDAB CN(C)c1cc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)nc2ccccc12 643998256 BQDKHUMXQQMBSD-IBGZPJMESA-N 356.426 1.143 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 647928449 MFGMUNLYZBXPBS-INIZCTEOSA-N 372.406 1.242 0 40 FDAB Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1 71479533 KEZKHBFSJKVLOF-RTBURBONSA-N 371.460 1.686 0 40 FDAB CN1CCc2c(CNC(=O)c3ccccc3)c3c(c(O)c2C1=O)OCO3 604405312 QVJYBIJYXXVQDF-UHFFFAOYSA-N 354.362 1.679 0 40 FDAB biogenic C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cn(C)cn1 585096626 WJRMNYRXEAHOKW-GFCCVEGCSA-N 368.397 1.357 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccnn4C)C3)C2=O)n1 585100934 IFYRQOCUQCOQLR-FQEVSTJZSA-N 367.453 1.778 0 40 FDAB CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1ccnn1C1CCCC1 58264442 COUNNOPPKNSUOW-CQSZACIVSA-N 366.487 1.917 0 40 FDAB COc1ccc([C@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)O)OCO4)cc1 5809681 RQIGESLKGRMDPM-JENIJYKNSA-N 374.345 1.330 0 40 FDAB O=c1nc(N2CCOCC2)[nH]c2c1CCN(Cc1ccccc1F)CC2 19349418 OQAQJDXEFIAJMN-UHFFFAOYSA-N 358.417 1.346 0 40 FDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)Cn1nnc2ccccc21 19712379 SUWXPXIAHKVHPA-MSOLQXFVSA-N 355.442 1.823 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2nc(Cc3ccccc3)no2)C1 643811140 PPTNIQOSZHVTHV-IBGZPJMESA-N 358.442 1.466 0 40 FDAB CCc1ncnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1F 1888856972 DMCKDNFJHGRQJY-UHFFFAOYSA-N 357.437 1.895 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3ccncc3)C2)cc(C(=O)N(C)C)n1 1848353141 HFAUIILCHDHFPF-OAHLLOKOSA-N 367.453 1.977 0 40 FDAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)CCn3cccn3)C2)C1 2056224111 RPYFHHJHPWRTKJ-HXUWFJFHSA-N 370.501 1.912 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 1614933097 FLJLILKORRPVFH-XBMPDCEQSA-N 357.410 1.534 0 40 FDAB CCc1nc2c(c(=O)n1CC1CC1)CCN(C(=O)Cc1ccccn1)CC2 1565541811 MGXRTERCGLKNCB-UHFFFAOYSA-N 366.465 1.781 0 40 FDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cccc(=O)n4C)CC3)O2)n1 1565543115 XOOCSELKQCQOHX-AWEZNQCLSA-N 358.398 1.603 0 40 FDAB O=C(CC1(O)CCC1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565547199 LWXMCVKECXBKFH-YCPHGPKFSA-N 350.390 1.663 0 40 FDAB CCOC(=O)CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 2809838 OTSDIQBLZTUKSF-UHFFFAOYSA-N 368.389 1.649 0 40 FDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9616192 QZDMHWCQYRGAIK-UHFFFAOYSA-N 372.402 1.545 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234284 OZBVLPLFBFPKCT-UHFFFAOYSA-N 365.368 1.859 0 40 FDAB O=C(NCC1CC1)[C@H]1CN(C(=O)CCc2ccc[nH]2)CC12CCOCC2 2055795848 HQAUZTNKLUHXPX-QGZVFWFLSA-N 359.470 1.729 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)cc1 23143657 ZVSLTTZZZKHKLX-UHFFFAOYSA-N 363.391 1.975 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4cnccn4)C3)nc2n1 225474577 RREVKMYGNMXQIQ-ZDUSSCGKSA-N 353.386 1.215 0 40 FDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1Cl 575415715 VVJQNIYUJKRUPC-CQSZACIVSA-N 365.861 1.896 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(-c3ccco3)[nH]n1)C2 585150301 LNNWLMFTQQMZQQ-GFCCVEGCSA-N 352.398 1.813 0 40 FDAB Cc1nc(N2CCN(C(=O)C3CCOCC3)CC2)cc(C(F)(F)F)n1 225733010 AJXLKHBCQARTCP-UHFFFAOYSA-N 358.364 1.879 0 40 FDAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(N3CCNC(=O)C3)nc1)C2 40089070 RWLBWVHXHKLOEA-INIZCTEOSA-N 368.462 1.982 0 40 FDAB O=C(O)CCc1nnc2n(c1=O)N=C(c1ccc(Cl)cc1)CS2 20272644 GCWHBFGHHFIOFN-UHFFFAOYSA-N 350.787 1.667 0 40 FDAB COCCNc1nc(N2CCN(c3ccccc3)CC2)nc2nccnc12 32091310 MYXCOBRWHJCBIH-UHFFFAOYSA-N 365.441 1.805 0 40 FDAB COCCNC(=S)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4132961 NRXPKOPAWSNDDR-UHFFFAOYSA-N 363.483 1.460 0 40 FDAB COc1cc(CCNC(=O)C2=NN(C)C(=O)CC2)ccc1OC(F)F 32210057 YZLVKSCUQBLESP-UHFFFAOYSA-N 355.341 1.564 0 40 FDAB Cc1noc(C)c1COc1cccc(C(=O)NCCN2CCOCC2)c1 45973200 AAMNTMNNYHZROU-UHFFFAOYSA-N 359.426 1.932 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1nnc(-c2ccco2)o1 102128770 QMAKZMCOZBXKMS-TXEJJXNPSA-N 371.349 1.714 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21 10366128 MZQVJDKAOSMXQQ-UHFFFAOYSA-N 373.434 1.691 0 40 FDAB COCCN1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1=O 91840182 JUOPTCLWLWLQLS-MRXNPFEDSA-N 350.459 1.340 0 40 FDAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccc(O)cc3OC(=O)[C@@H]21 11990729 XLLALKBLIJIEGD-KHQFGBGNSA-N 351.361 1.368 0 40 FDAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 101510133 MOVXILPHJSYAAV-HZSPNIEDSA-N 374.503 1.621 0 40 FDAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCC(=O)Nc1cccnc1 58245065 JGDOCSGLWMDBBG-JXMROGBWSA-N 364.405 1.977 0 40 FDAB COc1ccc(CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1 8113657 KXRKQLIWXQTDHT-UHFFFAOYSA-N 374.393 1.507 0 40 FDAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 53665285 ADQWYMHSOKZLDH-NSHDSACASA-N 359.831 1.299 0 40 FDAB CC(=O)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 101231679 WPXOSXRZINNFBH-UEFGCPDKSA-N 365.385 1.848 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 26603084 AVCNCFJNYGDCMU-LBPRGKRZSA-N 373.240 1.852 0 40 FDAB CN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)C1(C#N)CCCCC1 57841052 KVRCYGVRTFDRGG-UHFFFAOYSA-N 368.393 1.765 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 58245383 BTKCOJUPQDRSHS-MRVPVSSYSA-N 365.415 1.425 0 40 FDAB CCOCCN(C[C@@H](C)C(=O)OC)C(=O)CCNC(=O)c1ccccc1 58392833 UITBLGSQIOFWKG-OAHLLOKOSA-N 364.442 1.481 0 40 FDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1 27976193 FCZYBINKMAUFDY-LLVKDONJSA-N 360.819 1.155 0 40 FDAB CC[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 36330091 JGNLMGOSRAOVNA-GWCFXTLKSA-N 370.500 1.909 0 40 FDAB COc1ccc(OC)c(CCC(=O)NCCNC(=O)c2cccn2C)c1 12766716 FAOOQKSUUSZSGR-UHFFFAOYSA-N 359.426 1.521 0 40 FDAB CS(=O)(=O)/N=C(\O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 48486838 OXTLYPOBSBYCRA-JTQLQIEISA-N 362.354 1.809 0 40 FDAB Cc1ccc(Cn2nc(C)c(CNC[C@@H](O)CN3CCOCC3)c2C)cc1 12943604 NSKXBBAMUTZZFC-HXUWFJFHSA-N 372.513 1.639 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13041309 MYBZIROYOFGIRP-UHFFFAOYSA-N 369.439 1.812 0 40 FDAB Cc1cccc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 6507686 KOTUCLOJQYGYPK-UHFFFAOYSA-N 364.405 1.620 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)OC[C@H]1CC1(Cl)Cl 14853989 JCAIJKRHUVADNJ-MRVPVSSYSA-N 364.206 1.568 0 40 FDAB CCS(=O)(=O)N1CC2(C[C@H](COCc3ccncc3)CCN2C)C1 306137646 RCDOEEDYRBFBEH-MRXNPFEDSA-N 353.488 1.344 0 40 FDAB CCOC(=O)[C@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2F)C1 7436830 JZDLLQCJLNNMOA-LBPRGKRZSA-N 351.378 1.749 0 40 FDAB O=C(C[C@@H](CN1CCN(c2ccccn2)CC1)C(=O)O)Nc1ccccc1 71283045 LQZYNZHIWYJBQC-INIZCTEOSA-N 368.437 1.933 0 40 FDAB Cc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)c1C(=O)OC(C)C 9314020 UGQMEILJEHKCOW-LLVKDONJSA-N 365.386 1.294 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CCCC3)C2=O)cc1 9420504 ALPYYNVCAZARLZ-KRWDZBQOSA-N 373.453 1.997 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)C1 9503944 AUQFJRANTATMRN-SUMWQHHRSA-N 368.437 1.889 0 40 FDAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 9503342 RUCXSSQHNBICLA-KRWDZBQOSA-N 351.406 1.808 0 40 FDAB CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(CCO)C3)c1C 71890361 RERAVYWCUNHRRM-ZDUSSCGKSA-N 357.458 1.454 0 40 FDAB CCOC(=O)N1CCc2nn(Cc3cnc(Cl)s3)c(=O)cc2C1 97164965 CQKUSNKPMNGGFO-UHFFFAOYSA-N 354.819 1.916 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccn3)N=C2O)cc1 95478824 MWQZTTOFMJEJIG-CQSZACIVSA-N 354.366 1.744 0 40 FDAB COCCN(CC(=O)OC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 78710959 QGVUSGHLJSXQQP-UHFFFAOYSA-N 359.426 1.810 0 40 FDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCCn2ccnc2)CC1 95986316 OWLDODHRCVILSF-UHFFFAOYSA-N 368.890 1.933 0 40 FDAB CC(=O)N1CCC(CCC(=O)NCc2cccnc2-n2cccn2)CC1 79522936 SYDQJHDKHVKAOQ-UHFFFAOYSA-N 355.442 1.922 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCC(C)C 409004574 XPOYDAFLWZSZRT-CYBMUJFWSA-N 351.403 1.568 0 40 FDAB NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 32910928 MUPAKZGZVWMUAX-UHFFFAOYSA-N 360.391 1.080 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 32124059 AVDKMVVTFWHMCC-OEUWWYETSA-N 353.422 1.846 0 40 FDAB c1cncc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306142098 WPJDDWWLTACBFR-QGZVFWFLSA-N 364.453 1.950 0 40 FDAB CCOc1ccccc1S(=O)(=O)NCC1CCN(CCOC)CC1 38583061 ACMITTKPACEDRC-UHFFFAOYSA-N 356.488 1.722 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)ncc1C(=O)N1CCCCC1 72345573 KELBNIQHIBQRLN-MRXNPFEDSA-N 373.501 1.679 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N1CCSCC1 72325255 OVQFHNWQJBEKSH-HNNXBMFYSA-N 359.451 1.213 0 40 FDAB biogenic CN1CCN(C(=O)Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355093 KKFVSVBALRQGLN-GOSISDBHSA-N 367.497 1.718 0 40 FDAB Cc1cc(CNC(=O)c2cc(-n3cccn3)nc(C)n2)nc(N(C)C)n1 224234516 BDOQPGVKMNKCQL-UHFFFAOYSA-N 352.402 1.065 0 40 FDAB Cc1cc(N2CC[C@@H](NC(=O)c3cnc4ccsc4c3)C2=O)n(C)n1 525722944 MCMWFOOOWBQXHR-CYBMUJFWSA-N 355.423 1.874 0 40 FDAB O=S(=O)(c1ccccc1)N1CCn2nnc(COc3ccccn3)c2C1 96084297 DSLPOJBOGCXPAV-UHFFFAOYSA-N 371.422 1.457 0 40 FDAB COCCNC(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582823 OBQCNEJTUNUXHB-UHFFFAOYSA-N 350.400 1.703 0 40 FDAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccccn2c1=O 96114375 XBTMXCACCVIARL-GFCCVEGCSA-N 370.361 1.809 0 40 FDAB biogenic Cc1ccc(N2C(=O)C[C@H](NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 95532012 URBQMPXUNUURSF-INIZCTEOSA-N 373.434 1.418 0 40 FDAB Cc1occc1C(=O)N1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2C 96199855 VQFJNMNTBRPBJB-INIZCTEOSA-N 356.426 1.942 0 40 FDAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)C2CCOCC2)n1 96056653 KUHXMRHRPDJOCF-ROUUACIJSA-N 357.454 1.909 0 40 FDAB O=C(c1cocn1)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106714 OJRDJYVETWTRHI-HNNXBMFYSA-N 350.415 1.882 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2COC(=O)C2)cs1 583621487 SADGIOFRTOFDDN-IPYPFGDCSA-N 369.462 1.776 0 40 FDAB CN(C)c1cc(N2CC3(CC[C@H](CNC(=O)CC4CC4)CO3)C2)ncn1 248100784 HLNFOUNGNZFMKK-OAHLLOKOSA-N 359.474 1.444 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)Cc3csc(C)n3)CC2)OC[C@]1(C)O 257225344 FFUBIKIXYHJRMI-HOCLYGCPSA-N 353.488 1.115 0 40 FDAB CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F 257270525 MUPOGSLGPOOYIR-QAPCUYQASA-N 366.433 1.593 0 40 FDAB CCOc1ccc([C@H]2[C@H](C(=O)NCC(=O)NC)CCC(=O)N2CC)cc1 257307316 SYDVHFAWCXQPDI-QAPCUYQASA-N 361.442 1.247 0 40 FDAB C[C@H](Cc1ccccn1)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 253608686 URFGMBNNILHMLY-AVKRCAIGSA-N 355.438 1.550 0 40 FDAB CC(C)(C)OC(=O)NC1(c2noc(-c3nc(O)nc(O)c3N)n2)CCC1 585138541 ZEOMORPNOVJJIR-UHFFFAOYSA-N 364.362 1.424 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257296866 RERZLJYMJKKKEA-OAHLLOKOSA-N 358.446 1.117 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)C 257340754 ZHJVOWGHCOZDMX-QGZVFWFLSA-N 360.433 1.598 0 40 FDAB CCN(C(=O)CS(=O)(=O)c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 264271846 NLGADCDAEWNZDO-AWEZNQCLSA-N 373.496 1.113 0 40 FDAB Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c(F)c1 643771508 UZDZRXSDICLVKG-UAGQMJEPSA-N 356.463 1.541 0 40 FDAB CC(C)C[C@@H]1C(=O)NCCCN1S(=O)(=O)N1CCc2ccccc2C1 644952142 FFYKKGPJIGUYBK-QGZVFWFLSA-N 365.499 1.526 0 40 FDAB COc1c(C(=O)N(C)C[C@@H](C)NC(=O)CC2CCOCC2)c(C)nn1C 1775989150 FKXAUOWSFMGTKR-GFCCVEGCSA-N 366.462 1.131 0 40 FDAB O=C(CNS(=O)(=O)c1cccnc1)N1CC[C@H](C2CCCCC2)C1 618188333 YFHKRWUGHCAOCS-HNNXBMFYSA-N 351.472 1.789 0 40 FDAB COCCN1C[C@]2(COCCN(Cc3ccc(OC)cc3F)C2)CC1=O 585104524 OVHKFKGLFPGALE-IBGZPJMESA-N 366.433 1.532 0 40 FDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1ccc(C)cn1 585287860 GDGNBTLBCDXOMQ-OXJNMPFZSA-N 359.470 1.997 0 40 FDAB O=C(c1ccnnc1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111599 XNSWWYLCOPYEMX-UHFFFAOYSA-N 359.340 1.630 0 40 FDAB COC(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)cc1 58228514 MLRVZMJFUMGFQE-UHFFFAOYSA-N 371.393 1.804 0 40 FDAB COc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1Cl 665651736 JPKIZWCETBIVBX-IINYFYTJSA-N 350.806 1.985 0 40 FDAB COCC(=O)N[C@@H]1CN(CCOc2ccccc2C)C[C@H]1c1nccn1C 1615551252 LAGWIIOHBSAAAC-IAGOWNOFSA-N 372.469 1.338 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(Cc4cccn4C)C[C@H]23)n1 1549162002 MDFRHRDCBJHICA-INIZCTEOSA-N 368.441 1.019 0 40 FDAB O=C(O)CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 5865375 LOEZQFPPXUAYAN-UHFFFAOYSA-N 368.382 1.555 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1 14240520 VTIGZULJUGBZTD-UHFFFAOYSA-N 362.499 1.852 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccn3)C2)c2cccnc21 19021858 NWCIEPFLXPEVFB-INIZCTEOSA-N 364.453 1.952 0 40 FDAB Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)n2C)cc1C 19663628 PVEFVCJREZIBCM-MRXNPFEDSA-N 369.469 1.840 0 40 FDAB CS(=O)(=O)N1CCC(CC(=O)Nc2cccc(-n3cccn3)c2)CC1 19748288 WLSJQWURUIBNBE-UHFFFAOYSA-N 362.455 1.873 0 40 FDAB Cc1noc(C)c1CC(=O)NCC1(N2CCSCC2)CCOCC1 1888842562 LMJWCPLRULMWOX-UHFFFAOYSA-N 353.488 1.548 0 40 FDAB CSc1ncc(C)c(N2CCN(c3cc(C)nc4ncnn34)CC2)n1 1888888140 DQQXGFZDUWAMHH-UHFFFAOYSA-N 356.459 1.580 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)nn1C 1888888444 DTZNFRRFLYMEKA-GASCZTMLSA-N 364.453 1.824 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888913578 LUNGFLXESCQRIC-OAHLLOKOSA-N 362.411 1.489 0 40 FDAB CN(C)c1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)ncn1 1889102700 WCXUNGWJKWAOIN-UHFFFAOYSA-N 354.462 1.259 0 40 FDAB CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCOC)c1 22623783 FJNRLJQSTHNLTM-LBPRGKRZSA-N 358.460 1.538 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)c1 5190087 YIPQWSRCSDUNLH-LBPRGKRZSA-N 368.393 1.721 0 40 FDAB Cn1nc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)ccc1=O 1775974363 ZFEFPXFVAAJKKZ-STQMWFEESA-N 370.457 1.678 0 40 FDAB O=C(CN1C(=O)CCC1=O)OCc1cc(-c2ccc3c(c2)OCCO3)on1 36662653 CLHYNDVWIWZIFH-UHFFFAOYSA-N 372.333 1.305 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1cnc2ccccc2n1 30584015 GKCNGNQSNBNZKW-BOLDSZDNSA-N 374.466 1.573 0 40 FDAB O=c1cnc2ccccc2n1C[C@@H](O)COCc1ccc2c(c1)OCO2 31560577 BNUHWMOONGYRRV-CQSZACIVSA-N 354.362 1.703 0 40 FDAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 8128440 AOXOYUQWQBESFA-CYBMUJFWSA-N 367.405 1.884 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 807185 IRBNXTAEMZKTMH-ZDUSSCGKSA-N 356.444 1.001 0 40 FDAB CCS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 812560 XWYLSWHLAGOSQI-SFHVURJKSA-N 374.418 1.861 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 8536502 NCDNXNAVAGPGNP-QRWLVFNGSA-N 373.453 1.991 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 20762900 LOTQOMOEKPMTDI-ZBEGNZNMSA-N 358.398 1.637 0 40 FDAB biogenic CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 6654250 OGZGEPCJFAYIFL-INIZCTEOSA-N 366.805 1.343 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)COn2nnc3ccc(Cl)cc32)c1 21574304 AZEPQYDIBRCSEK-UHFFFAOYSA-N 373.800 1.854 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@H]2C(=O)O)cc1 107214473 QGONOYXHPYQUDC-ZBFHGGJFSA-N 352.456 1.697 0 40 FDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCc1ccccc1 12095979 ZJRMMTLHSYWNFH-CYBMUJFWSA-N 351.366 1.524 0 40 FDAB CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029614 OOFSVQYLLVMBNH-CYBMUJFWSA-N 359.469 1.176 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 22057937 KLCYHUANOKXENR-VMPITWQZSA-N 359.426 1.399 0 40 FDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)NC(C)(C)CC)c1C 53006132 GXENVUUVCLMHGL-UHFFFAOYSA-N 358.508 1.835 0 40 FDAB Cc1nn(-c2ccc(Br)cc2)nc1C(=O)N1CCOCC1 59843334 UCGSHAAPFWMNSY-UHFFFAOYSA-N 351.204 1.811 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@]2(C/C=C(\C)C(=O)O)[C@@H]1O 100063099 AGWIINKICRXDEB-JEAGNZDCSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC[C@H](C)C1 104237080 MIDVFTUCVQQEEO-BBRMVZONSA-N 351.472 1.136 0 40 FDAB O=C(NCCn1cnc2ccccc2c1=O)[C@@H]1COc2ccccc2O1 61718932 NKORZINHDVYXLI-KRWDZBQOSA-N 351.362 1.353 0 40 FDAB COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 55243086 UJRWVDRNGLXPGW-CYBMUJFWSA-N 359.469 1.344 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 25501476 IIJRREQFOZUYHO-GFCCVEGCSA-N 360.391 1.925 0 40 FDAB C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@@H]1O 67903607 UGXCXZZEKHRPJT-BVFRUZMGSA-N 368.470 1.505 0 40 FDAB biogenic,in-vitro C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCC1 57533981 YEGPNHFFTYNXFO-VIFPVBQESA-N 373.203 1.326 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 58174338 MVTYRELBOJGPBT-OAHLLOKOSA-N 366.421 1.888 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2)nc1 58183840 ZSNZAQMLSXTQMY-UHFFFAOYSA-N 369.421 1.855 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccn(-c2ccccc2)n1 58193087 MUGKSYITNPRYTE-UHFFFAOYSA-N 373.416 1.941 0 40 FDAB NC(=O)NC[C@@H]1CCCCN1C(=O)CCCn1c(=O)oc2ccccc21 58379797 RCVWNIZTMHQRTR-ZDUSSCGKSA-N 360.414 1.424 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)s1 28254284 WKISAICEDGZQAK-UHFFFAOYSA-N 365.436 1.909 0 40 FDAB O=C(CN1CCN(C(=O)CN2CCCCC2)CC1)Nc1cccc(F)c1 36391098 YYVCWWGZSXIZOX-UHFFFAOYSA-N 362.449 1.394 0 40 FDAB CS(=O)(=O)N1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 48234314 QWEYAJGZSWQEAX-UHFFFAOYSA-N 369.450 1.773 0 40 FDAB CC[C@@H]1CCCCN1CCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 23989830 CBOGKWKKQVZJNP-CYBMUJFWSA-N 358.446 1.249 0 40 FDAB C[C@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 12883151 UOHCXXSDMTUXER-LBPRGKRZSA-N 372.377 1.964 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@H]2COc1cccnc1)C(F)(F)F 306145080 ZXHDGPUSFXBSIZ-JTQLQIEISA-N 352.334 1.401 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 13002305 LJJZKTCQOTWZLY-UHFFFAOYSA-N 371.378 1.366 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC(=O)Nc1ccc(F)cc1 13041259 ZHZAGAOUDBHNMD-GFCCVEGCSA-N 372.400 1.822 0 40 FDAB O=C1CO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 67897155 TUGLWLBQLBPAHR-APWZRJJASA-N 367.405 1.422 0 40 FDAB biogenic,in-vitro CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 6679042 BGVYRFGFUNQDSA-UHFFFAOYSA-N 373.390 1.612 0 40 FDAB CN(C)c1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 6983806 JIVRMKSYWLVYRN-INIZCTEOSA-N 370.405 1.866 0 40 FDAB CSC[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 20610198 RLXRYADEZRLRMH-NSHDSACASA-N 365.407 1.590 0 40 FDAB biogenic COc1cc(OC)c(OC)cc1CNC(=O)CSc1nncn1C 7077388 QWGCQMYCNXJTNY-UHFFFAOYSA-N 352.416 1.249 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2c(F)cccc2F)c2ccccc2O1 7252974 RLUDOAJFNVLIAP-OAHLLOKOSA-N 361.348 1.917 0 40 FDAB COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)n(C)c(C)cc1=O 1547208836 HFTZVRPWUOSRMK-CQSZACIVSA-N 361.394 1.595 0 40 FDAB CN(C)CCCNC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421433 VHCNWBXBSGSIPH-NSHDSACASA-N 365.869 1.291 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C1=O 9451035 VWPRAWQICBUMEC-VPTHRUTESA-N 362.411 1.485 0 40 FDAB Cn1nc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)ccc1=O 95941683 BAYMUBSJZASJNW-UHFFFAOYSA-N 360.389 1.799 0 40 FDAB CN1C(=O)S/C(=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)C1=O 408812585 NKZCYMGJYLTDAA-SBMLRHLQSA-N 361.404 1.260 0 40 FDAB COCCN1CCC[C@]2(CN(S(=O)(=O)C3CC3)CC(F)(F)C2)C1=O 306126689 FCCYVBVDTFEDMY-AWEZNQCLSA-N 366.430 1.075 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCOC[C@@H]3CC(F)F)ccc21 511040850 CKMFSEZVFGQIFM-VIFPVBQESA-N 362.354 1.176 0 40 FDAB COCCN1CC[C@@H](NC(=O)NC(C)C)c2ccccc2S1(=O)=O 306136957 QHKKSWUJTQYBDJ-CQSZACIVSA-N 355.460 1.476 0 40 FDAB Cc1ccc(C)c([C@@H]2CN(CCc3cn(CC(=O)O)nn3)[C@@H](C)CO2)c1 566360952 CSUKSDRPDFGNSN-YJBOKZPZSA-N 358.442 1.984 0 40 FDAB CCc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)cc1 71328194 QTVLMJZNRFBPSS-UHFFFAOYSA-N 366.425 1.692 0 40 FDAB CCc1cc(N2CCOCC2)nc(C2CCN(S(=O)(=O)CC)CC2)n1 72337217 IWIMUKZCHKLZKV-UHFFFAOYSA-N 368.503 1.405 0 40 FDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc(OC(F)(F)F)cc1 40386530 AFZWTQRFOOJUCZ-MRVPVSSYSA-N 355.276 1.774 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCOCC2)cc1 329236652 OLGKKOBPIWHXAT-MRXNPFEDSA-N 373.496 1.670 0 40 FDAB O=C(NCCNC(=O)c1ccco1)NCc1ccc(-n2cccn2)nc1 45662675 NRCXKKOCHDZWOK-UHFFFAOYSA-N 354.370 1.090 0 40 FDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CCOc3ccccc3)C2)nn1 225432601 RWFPWQCSNGFDJN-MRXNPFEDSA-N 363.439 1.647 0 40 FDAB C[C@@H](O)[C@](C)(CNC(=O)C1CCS(=O)(=O)CC1)Cc1ccccc1 331102675 CXMDNTWCYHICAQ-KDOFPFPSSA-N 353.484 1.557 0 40 FDAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc(F)cc1 96055413 SQMNWMAMUHQNIE-RYQLBKOJSA-N 350.434 1.910 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c(C2CC2)n1 578518288 PRRPBAWCNGKYMZ-ZDUSSCGKSA-N 351.414 1.667 0 40 FDAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3cc(C)n(C)n3)ccc21 96182177 CZIBHNKZESKVGL-UHFFFAOYSA-N 370.409 1.778 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)cn1 96199798 LWJZEZCGKSJBKL-MRXNPFEDSA-N 353.426 1.402 0 40 FDAB C[C@H](O)[C@](C)(CNC(=O)C1CCS(=O)(=O)CC1)Cc1ccccc1 331102676 CXMDNTWCYHICAQ-KSSFIOAISA-N 353.484 1.557 0 40 FDAB Cn1cc(C(=O)NC[C@@H]2CCC3(CN(Cc4ccccn4)C3)OC2)cn1 248153473 UZSANVHOHBYUNF-HNNXBMFYSA-N 355.442 1.226 0 40 FDAB Cc1nn(C)c(C)c1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257288331 PTTWUNFZVUBSEM-AWEZNQCLSA-N 363.487 1.708 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257233997 GRQFEEYERRRDHL-HXUWFJFHSA-N 355.438 1.927 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@H](Cc2cnc(N(C)C)cn2)CC1 257333147 YAIVNIUKJPCRAX-AWEZNQCLSA-N 358.446 1.648 0 40 FDAB CC(C)n1nccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257211637 BZQKRDWBRXLMFU-MRXNPFEDSA-N 356.417 1.772 0 40 FDAB CCN1CCN(C(=O)NC[C@H](OC)c2cc3ccccc3o2)C(=O)C1=O 253472622 NYBWORRROOJWIU-HNNXBMFYSA-N 359.382 1.521 0 40 FDAB Cc1nonc1CC(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257257459 KPQWLXOXNSJTDO-HNNXBMFYSA-N 359.430 1.242 0 40 FDAB Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@H]1CC(c2cccnc2)=NO1 1644343913 JXQYSUUCNGBEEK-HNNXBMFYSA-N 374.422 1.478 0 40 FDAB CCn1ncc2ncn(CC(=O)N3CCC(c4ccccc4)=N3)c(=O)c21 631018809 OULUHVYYPAMDQF-UHFFFAOYSA-N 350.382 1.250 0 40 FDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CC(=O)N(C2CC2)C1 644454920 FZGVPDQHMJCELQ-HXUWFJFHSA-N 357.454 1.194 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cn(C)cn2)C3)n1 575406098 VQDNUBRQANEXQY-HNNXBMFYSA-N 371.441 1.609 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575402772 BVOWVYBLWAKLFQ-DAXOMENPSA-N 358.467 1.843 0 40 FDAB Cc1noc(CC(=O)N2CCc3ncnc(-c4cccnc4)c3CC2)n1 585110520 YLPLNUOIEJWFGG-UHFFFAOYSA-N 350.382 1.400 0 40 FDAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(Cc3ccccn3)C2)C1 585101174 KYTFEVSXHOLKRW-OAHLLOKOSA-N 356.348 1.871 0 40 FDAB Cc1ccc(S(=O)(=O)N2Cc3cncn3[C@H](C(=O)NCC3CC3)C2)cc1 585096076 ZGGFEFIGGSSAEM-KRWDZBQOSA-N 374.466 1.463 0 40 FDAB Cn1cc(CCC(=O)N2CCOC[C@](O)(COc3ccccc3)C2)cn1 585271518 HCHUOJDAUWHHGN-IBGZPJMESA-N 359.426 1.022 0 40 FDAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1 585097750 NUPHMWIWSKHQTK-CYBMUJFWSA-N 353.382 1.932 0 40 FDAB CC(C)C[C@]1(C)NC(=O)N(CCC(=O)NC(=O)NCc2ccccc2)C1=O 54374105 YGRNDQDVDFWHQZ-IBGZPJMESA-N 374.441 1.759 0 40 FDAB CCN1CCN(C(=O)c2cc(Br)cn2C)C[C@]12CCOC2 1615589056 JFFGJCHLRUPIRM-HNNXBMFYSA-N 356.264 1.724 0 40 FDAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)c1 2211854 PQLMTFPOTWFGES-MFOYZWKCSA-N 350.447 1.805 0 40 FDAB C[C@@H]1COCCOC(=O)c2cccc(n2)C(=O)OCCOC[C@@H](C)O1 5573092 DCHRBABQISIBTJ-CHWSQXEVSA-N 353.371 1.236 0 40 FDAB CN1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)CC1 13639754 MBCLCGOBXXLYIT-UHFFFAOYSA-N 357.439 1.955 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500758 QXYJPYRNFVYREE-XLPNERPQSA-N 360.410 1.282 0 40 FDAB Cc1c(C(=O)O)sc2ncn(CC(=O)Nc3nccs3)c(=O)c12 19620822 VXBDNSFZHBJLEX-UHFFFAOYSA-N 350.381 1.560 0 40 FDAB C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2cc(=O)n(C)c(=O)[nH]2)s1 19714466 DOIZVFVUGNMPNK-VIFPVBQESA-N 373.394 1.317 0 40 FDAB O=C(NCc1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1 19933468 PXPDEJRKRXNKLG-UHFFFAOYSA-N 371.412 1.913 0 40 FDAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O 257404068 DFBIRQPKNDILPW-LXTKQPIGSA-N 360.406 1.103 0 40 FDAB biogenic CNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 36386383 HJVKSVKNVMLDDH-UHFFFAOYSA-N 367.453 1.254 0 40 FDAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)CC1(O)CCC1)C2 1565553963 NGFZNHMQRNUUHW-UHFFFAOYSA-N 361.442 1.514 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352166 RTBDENCEKQXTFE-CQSZACIVSA-N 352.818 1.758 0 40 FDAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NC[C@@H]1CCCO1)CSC2 5438187 UXBYAXPANHMFOA-JTQLQIEISA-N 352.460 1.619 0 40 FDAB CCN(CC)C(=O)CSc1nnc(-c2cn(C)nc2OC)n1CC 12422632 UIDGUFYOJFLEII-UHFFFAOYSA-N 352.464 1.668 0 40 FDAB CN(C)C(=O)COCc1nnn2c1CN(CCc1ccccc1)CCC2 2055718097 KKZHSGGAYZTAPJ-UHFFFAOYSA-N 357.458 1.331 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cn1 2055713272 RJGUJNWMUIUJLJ-FGTMMUONSA-N 369.421 1.640 0 40 FDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 23127350 HUPZVBIDXRTTTA-UHFFFAOYSA-N 351.422 1.547 0 40 FDAB CC(C)c1noc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 2086884550 JGNSKHFJODLMPQ-UHFFFAOYSA-N 373.461 1.142 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)cn1 225506258 PKVZXZCCVTTXDY-CQSZACIVSA-N 357.414 1.630 0 40 FDAB O=C(c1ccc(O)nc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615259 CJMWUYAQLTUZJK-CQSZACIVSA-N 350.378 1.974 0 40 FDAB Cc1cc(OC2CN(C(=O)Cn3cnc4ccccc43)C2)n2ncnc2n1 618256634 VFGOBDWVZUYGOL-UHFFFAOYSA-N 363.381 1.072 0 40 FDAB CCCc1noc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 40049815 QCIYNGITPVDDKM-UHFFFAOYSA-N 364.471 1.670 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 40105418 AMSMPFQQWRYYRC-UHFFFAOYSA-N 374.441 1.909 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc2c(c1)OCCO2 11328719 BRUCPZPPZAVPLH-UHFFFAOYSA-N 365.393 1.470 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cccc(F)c1 36774888 LDNNBWBUUQNJGG-LLVKDONJSA-N 372.443 1.855 0 40 FDAB CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 59893827 QXQPQALVKVXLCJ-LLVKDONJSA-N 363.443 1.825 0 40 FDAB Cn1cnc2c1c(=O)n(CCCSCc1cccc(F)c1)c(=O)n2C 32778696 DLZSJXRKQGCWSU-UHFFFAOYSA-N 362.430 1.896 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)nc2n1 2630584 KEYDECVLKJGVCL-UHFFFAOYSA-N 369.337 1.265 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 46429236 NJNMWJSKMGUKBA-LBPRGKRZSA-N 366.364 1.729 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2csc3ccccc23)CC1 22787818 YVGLXBZYHMYTTL-ZDUSSCGKSA-N 360.483 1.863 0 40 FDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)NCCCc1ccccc1 58360824 MSEQNLSSWZRYCZ-HNNXBMFYSA-N 361.471 1.693 0 40 FDAB Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(S(C)(=O)=O)cc1 42242759 VURLADHMSMVOND-UHFFFAOYSA-N 353.421 1.517 0 40 FDAB CCOC(=O)C1=C(Cn2nc(-c3ccccc3)ccc2=O)NC(=O)NC1 54658009 LOYCWDOIDQQPRY-UHFFFAOYSA-N 354.366 1.040 0 40 FDAB COc1ccc(CCNC(=O)CCNc2ncnc3[nH]cnc23)cc1OC 12296870 PXDDEOXSWDUQEU-UHFFFAOYSA-N 370.413 1.531 0 40 FDAB biogenic CC(C)(C)C(=O)Cn1c2ccccc2n2nc(CCC(=O)O)c(=O)nc12 1418849 AARNZWXNONNZQG-UHFFFAOYSA-N 356.382 1.677 0 40 FDAB NC(=O)COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 25664815 BFILCSPRQYWOKH-UHFFFAOYSA-N 353.422 1.509 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 108453488 MJUZBYJAUJXGTD-YXWQFLTLSA-N 357.410 1.809 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12549863 RAQGODYBPDFUIG-GJZGRUSLSA-N 373.384 1.174 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C)CC1 10213871 MVSXMEFJMZZJLN-UHFFFAOYSA-N 351.472 1.167 0 40 FDAB CCc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 36406119 MKKLFBKPGCSWMH-UHFFFAOYSA-N 356.426 1.942 0 40 FDAB Cc1cc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 12681258 FNKJXFATBIEEAQ-UHFFFAOYSA-N 353.400 1.559 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1 8515126 HJJJDDGYWBAOPO-NSHDSACASA-N 372.443 1.855 0 40 FDAB CSc1cccc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)c1 12865734 KAJAHUVGWHZRJR-UHFFFAOYSA-N 357.501 1.361 0 40 FDAB O=C1CN(C(=O)c2cc(Br)c(Br)s2)CCN1 12905367 IYOIJBONXNWMAA-UHFFFAOYSA-N 368.050 1.845 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)c1 12980031 UJZWOVPSLWBIBN-UHFFFAOYSA-N 352.456 1.768 0 40 FDAB Cc1cc(N2CCN(CC(=O)NCC(F)(F)F)CC2)nc(C(C)C)n1 12938611 ONMGFCSFQDHEQM-UHFFFAOYSA-N 359.396 1.709 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)NC1 12979800 MTEWYFHMGAYAEL-UHFFFAOYSA-N 350.396 1.524 0 40 FDAB O=C(NC1CCCC1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7782824 IBDLWRCYCGYUHL-ZDUSSCGKSA-N 361.467 1.906 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3N3CCOCC3)ccc2N1 7907212 YTQCOJFQTSPJKJ-UHFFFAOYSA-N 373.434 1.819 0 40 FDAB COc1cccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)c1 49399729 AXHXHDPQCKXHLD-UHFFFAOYSA-N 368.397 1.139 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccccc2F)CC1 4104375 PYQVSPMCOGDCBQ-UHFFFAOYSA-N 366.396 1.884 0 40 FDAB CN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(Cl)cc1 6013551 NBSGQJPRVFAQAP-UHFFFAOYSA-N 370.862 1.364 0 40 FDAB CN(C(=O)CSc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 5018772 VJJNKNCYMKSENT-LLVKDONJSA-N 357.453 1.195 0 40 FDAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 8134510 JAXFAOCFNQLLGW-FDMDGMSGSA-N 365.437 1.343 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](CCOc4cnccn4)CCO3)C2)n(C)n1 306133976 NASVNVJOEMUUGO-INIZCTEOSA-N 357.458 1.969 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 5263424 PDLJNWJCTWPBIF-SFHVURJKSA-N 361.398 1.140 0 40 FDAB CN1C(=O)C(=C2C[C@@H](c3cccc4ccccc34)NN2)C(=O)N(C)C1=O 5345885 MHWIHFZWGUBJEN-AWEZNQCLSA-N 350.378 1.683 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)cc1 14200162 JDBJINWDWMYQDC-UHFFFAOYSA-N 356.334 1.368 0 40 FDAB CNC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 15764436 DFGZWNSGYUKYAD-UHFFFAOYSA-N 362.389 1.955 0 40 FDAB Cc1cccnc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 93175385 BVJSEFOQWUSTMG-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB COC(=O)/C=C/c1ccc(OCc2nc(N)nc(N(C)C)n2)c(OC)c1 22757945 RZCVGNDSZAEREU-SOFGYWHQSA-N 359.386 1.294 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O 9494680 BNRBZQIEXZXIFL-SJCJKPOMSA-N 373.384 1.436 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2nnc(C)n2c1 95393544 AUTJCKKHPIKTFK-UHFFFAOYSA-N 353.382 1.723 0 40 FDAB CCc1nc(CC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cs1 89289908 GDGUSBVFNKSVRV-IRXDYDNUSA-N 359.495 2.000 0 40 FDAB Cc1[nH]cc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 89505493 ZDIOFHGOLULHMW-VIFPVBQESA-N 370.818 1.145 0 40 FDAB COc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)cc1 306138174 RRQOMBJIQHBUBR-GJZGRUSLSA-N 367.453 1.483 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C[C@@H](O)C(F)(F)F 502664165 DEDHBQLGIZBAQH-SDDRHHMPSA-N 365.375 1.314 0 40 FDAB O=C1NC(=O)/C(=C\c2cc(Cl)cc(I)c2O)N1 409047975 QFSZLVLAVXGICE-FARCUNLSSA-N 364.526 1.831 0 40 FDAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C 32508623 WLDDFPBVPHHBPD-ZIAGYGMSSA-N 367.496 1.388 0 40 FDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 217472416 WVXNGTVQYFVCCG-UHFFFAOYSA-N 364.423 1.922 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)cc3O)C2=O)cc1 210839118 DNTCSPZDMSYKME-OVCLIPMQSA-N 367.361 1.938 0 40 FDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)nn1 225448496 YDGVRRMZOQZABA-CYBMUJFWSA-N 370.409 1.607 0 40 FDAB CN(C)C(=O)CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12 48987580 RHVZQMZGHSVJKU-UHFFFAOYSA-N 361.402 1.259 0 40 FDAB CC(C)Cc1noc(CS(=O)(=O)CC(=O)NCCCOC(C)C)n1 40106327 RDBGGYOOUUWNAJ-UHFFFAOYSA-N 361.464 1.114 0 40 FDAB CCS[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 43808033 HWVFWNMATMHVMS-KBCNZALWSA-N 353.440 1.444 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(c1ncccn1)C2)NCCc1ccccc1 96208159 GKOZBNVHDXQHQE-XLIONFOSSA-N 352.438 1.678 0 40 FDAB CCOC[C@@H]1C[C@]2(COCCN2S(=O)(=O)c2cccc(C)c2)CO1 96240743 UNMGFRLLGPTSTJ-RDJZCZTQSA-N 355.456 1.580 0 40 FDAB O=C(NCC(F)(F)c1ccccc1)N1CCC[C@@H](n2cc(CO)nn2)C1 576444332 HEPCHGCCXBUKAU-OAHLLOKOSA-N 365.384 1.909 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106785 DUQILOWASGLXEP-HNNXBMFYSA-N 352.456 1.714 0 40 FDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 247316330 KGRTTYFXLALHKJ-MRXNPFEDSA-N 369.487 1.565 0 40 FDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1 257324612 WPLSWTYBDPOJIC-GOSISDBHSA-N 355.413 1.898 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(c1ncccn1)CC[C@H]2O 257211104 BXNFRNHXEGWLEN-MANSERQUSA-N 352.438 1.678 0 40 FDAB O=C(c1cnccn1)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257299871 RRZXCDORFHQCKI-SFHVURJKSA-N 353.426 1.681 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1cnn2cccnc12 257321883 WDRHMMPWVAQPBH-AWEZNQCLSA-N 352.398 1.302 0 40 FDAB Cc1cc(-c2ccc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257330019 XMKWKFAVQZDKKZ-HNNXBMFYSA-N 363.487 1.841 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4ccncc4)C3)ccnc12 257202889 ANVFKJGZNLQSNN-CYBMUJFWSA-N 350.382 1.114 0 40 FDAB CCn1ncc(S(=O)(=O)NCc2ccnc([C@@H]3CCCO3)n2)c1C 257217342 CYNTZWDVPCWGCX-ZDUSSCGKSA-N 351.432 1.331 0 40 FDAB C[C@H]1COC(=O)N1c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257331433 XSVAOLBEHJNION-NSHDSACASA-N 354.432 1.036 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)c3conc3C3CC3)C[C@H]2NCC2CC2)cn1 1086996550 KFBOPIZIKSQEBK-DOTOQJQBSA-N 355.442 1.893 0 40 FDAB CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNC[C@H]1CC(C)(C)CO1 1087028525 LTEMNSVGFCFKPZ-IIAWOOMASA-N 350.463 1.292 0 40 FDAB Cc1noc([C@H]2CN(C(=O)c3ccccc3-n3ccnn3)C[C@@H](C)O2)n1 628856298 BGTVXQGWGSAZJH-IAQYHMDHSA-N 354.370 1.561 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)c1nc(C(=O)O)cs1 629310146 ZCJQNOQRNIAZQB-MRVPVSSYSA-N 370.408 1.652 0 40 FDAB Cc1c(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)oc2ccccc12 644351738 KJDAXNUMILPJND-CYBMUJFWSA-N 350.440 1.476 0 40 FDAB Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCC(=O)NCc2ccccc2)CCO1 1672770261 NDNPWIPUQWCGLY-RDJZCZTQSA-N 371.441 1.256 0 40 FDAB O=C(O)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc2ccccc2c1 652070234 NSVIYLYQUCIZJM-CABCVRRESA-N 362.407 1.164 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 36594838 VEENBCUNRMIKGF-HWPZZCPQSA-N 372.381 1.357 0 40 FDAB biogenic Cc1nn(C)c(C)c1CCNC(=O)N1CCc2c(cccc2C(N)=O)C1 660327068 IWFHYADIFOAZJL-UHFFFAOYSA-N 355.442 1.446 0 40 FDAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)ccc21 96025635 VFSXULDXAIAZSX-UHFFFAOYSA-N 373.390 1.451 0 40 FDAB Cc1ccc(CNS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)nc1 576823829 SIFLWNCKKRAFJJ-UHFFFAOYSA-N 364.423 1.949 0 40 FDAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585289956 OQYVUGUUHTYZPT-LATQFLISSA-N 356.426 1.648 0 40 FDAB Cc1nc(C)n(CC(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 585284971 KVPPBFIHEBDSBA-SZVBFZGTSA-N 358.442 1.620 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 53212467 FHZJDMGCMKTKBT-CQSZACIVSA-N 367.496 1.689 0 40 FDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCCCn1ccnc1)CS2 85473851 DFEIIKYCJNNYIM-ZDUSSCGKSA-N 361.471 1.239 0 40 FDAB O=C(CN[C@H](c1ccccc1)c1ccccn1)N[C@H]1CCS(=O)(=O)C1 96791946 KQOZAYADMGCFKJ-MAUKXSAKSA-N 359.451 1.064 0 40 FDAB Cc1c(C(=O)N2[C@H]3CC[C@@H]2Cc2nc(N4CCOCC4)ncc23)cnn1C 12142575 FNZWIICOCAUHGU-DYVFJYSZSA-N 368.441 1.257 0 40 FDAB COC(=O)[C@]1(O)[C@@H](C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=S)N1C 14075028 CLJYQTGOAUQHAM-HBUWYVDXSA-N 374.418 1.501 0 40 FDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1 15674187 NDTUIYVPDWXFTI-ZBFHGGJFSA-N 357.414 1.250 0 40 FDAB biogenic,in-vitro CCCNC(=O)[C@@H](C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 15814870 YAPZINQKJMPSHJ-SNVBAGLBSA-N 362.455 1.357 0 40 FDAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2CCCCO2)C3)CC1 19016832 IOJCLMFOBJSIFO-SFHVURJKSA-N 372.469 1.656 0 40 FDAB Cc1ccnn1[C@H](C)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19238327 QYPDWYIMJBWIKC-CQSZACIVSA-N 370.457 1.400 0 40 FDAB C[C@@](O)(C(=O)NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 19458942 IPITWAQOSNXCEK-IBGZPJMESA-N 353.378 1.527 0 40 FDAB CN1CCc2nc([C@@H]3CCCN3CC(=O)Nc3nccs3)ncc2C1 19590577 SKARFIMDGUJEOI-AWEZNQCLSA-N 358.471 1.697 0 40 FDAB CN(C(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 152049196 NJPYANQPBTZGRW-LBPRGKRZSA-N 352.391 1.662 0 40 FDAB O=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc[nH]1 5825598 XFYVANWWORFDRT-UHFFFAOYSA-N 365.183 1.933 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@@H]3C2)n1 1888843215 FFJFKNOISAYRJV-GHMZBOCLSA-N 366.347 1.867 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)nc2ccccc21 1888890200 GERCYDLKACTYSC-OKILXGFUSA-N 350.426 1.988 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 19296745 YQZDFLSTHLWUSI-KRWDZBQOSA-N 358.402 1.449 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037840658 PUYUFYXNRLBDJI-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB O=C(c1cncs1)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978479 YJZIJLYKKXUONB-GOSISDBHSA-N 373.434 1.418 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccnn1C)C2=O 1565542104 MMFDHSRZKLUWDC-UHFFFAOYSA-N 357.414 1.684 0 40 FDAB O=C(CCc1ccc[nH]1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 1565542980 RQJBPVIPXPFBHR-FOIQADDNSA-N 368.437 1.386 0 40 FDAB CCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 4386559 CUEIEFPIGCOERI-UHFFFAOYSA-N 369.400 1.974 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5252061 LRSNUTKNLAXIAR-GFCCVEGCSA-N 369.425 1.539 0 40 FDAB O=C(c1cc[nH]c1)N1CC[C@]2(CCN2S(=O)(=O)c2cccs2)C1 2055841001 AHYLTFBJYRSAPR-HNNXBMFYSA-N 351.453 1.756 0 40 FDAB CN(C)c1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 225507438 KGUIJQFTEJDLTG-ZDUSSCGKSA-N 363.443 1.170 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CC4(O)CCCCC4)C3)n2)n1 585605670 LHGPGVVCDNOGQX-UHFFFAOYSA-N 371.485 1.673 0 40 FDAB O=C1C[C@@H](C(=O)NC2CCN(c3ncccn3)CC2)c2ccccc2N1 40134381 NJVBGOFWKZUQMM-OAHLLOKOSA-N 351.410 1.688 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccc2c(c1)OCCO2 31353045 OSVSKIUDHIUYGX-UHFFFAOYSA-N 355.350 1.568 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 28875208 AEWBEHUTIUQLIJ-AWEZNQCLSA-N 353.378 1.522 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1 11514708 XXUDGDRCRDSXTM-UHFFFAOYSA-N 352.390 1.857 0 40 FDAB O=C(CN1C(=O)COc2ccc(-c3cscn3)cc21)N1CCOCC1 31869776 CLUQKKKNEVVCDJ-UHFFFAOYSA-N 359.407 1.394 0 40 FDAB CCOc1ccc(CO[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093782 WHHIIMRGPWDFLO-HHARLNAUSA-N 354.399 1.200 0 40 FDAB CCC(=O)O[C@@H](C)CN(C[C@H](C)OC(=O)CC)C(=O)[C@@H](C)OC(=O)CC 4743254 DGBWIFZBEHDPBK-MELADBBJSA-N 373.446 1.840 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101993207 QBJVVPUOAUUXKD-RPLLJCPNSA-N 369.373 1.228 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccccc1Cn1ccnc1 32902839 KSOHYBOWARGCSK-UHFFFAOYSA-N 351.410 1.781 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)N1 32904505 SZUPTWSKUHLGCA-BQYQJAHWSA-N 350.378 1.449 0 40 FDAB Cc1cccnc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108533502 XQMGIYXTTKWQEK-OAHLLOKOSA-N 353.488 1.453 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1Cl 886456 AYQYVRLYMJPGSN-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB COC(=O)c1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1C 23191461 CSCRXMILOIKHFY-UHFFFAOYSA-N 351.366 1.939 0 40 FDAB O=S(=O)(NCCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 24374813 SBUISELNGSDLAO-UHFFFAOYSA-N 360.435 1.851 0 40 FDAB Cc1cc(C(N)=O)ccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102799533 ATETYKVGKKMLAB-OKILXGFUSA-N 357.410 1.598 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCCCC(=O)N2CCOCC2)cc1C 3289153 HQIRBYYZXZVZRV-UHFFFAOYSA-N 362.426 1.215 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1 57895551 RIARNIKGQHPCNM-UHFFFAOYSA-N 360.439 1.270 0 40 FDAB CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCCCO[N+](=O)[O-] 114079797 WMWQSFJGXNOLSF-UHFFFAOYSA-N 355.299 1.300 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccccc2Cl)c(=O)[nH]c1=O 58166908 FLOMLTMDXOYPPI-UHFFFAOYSA-N 364.833 1.497 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2cccs2)CC1 58181026 HLSHVBALHIEWBR-LLVKDONJSA-N 352.460 1.177 0 40 FDAB CCOC(=O)[C@@H](CNC(=O)CNC(=O)C1CCCC1)Cc1ccccc1 58202773 UTORWABTXHFWEY-QGZVFWFLSA-N 360.454 1.831 0 40 FDAB NC(=O)CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CCCC1 58396154 JCDAKTMMZZHDGN-UHFFFAOYSA-N 352.818 1.910 0 40 FDAB C[C@@H](Sc1nncn1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3396768 FDSUGNHFVWZXOV-SSDOTTSWSA-N 373.360 1.468 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)CN(C)CCOc1ccc(OC)cc1 12746634 URLKVDHERHURHY-AWEZNQCLSA-N 351.447 1.037 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)Cn3c(=O)n(C)c4ccccc43)cc12 48273772 UDOWSIOKTGYITC-UHFFFAOYSA-N 350.382 1.569 0 40 FDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cc(=O)n2ccsc2n1 3432964 PLGXHHCWXUSCQQ-SFHVURJKSA-N 366.402 1.650 0 40 FDAB O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ccc3nnnn3n2)CC1 12910760 BUITWLBDZZKGBY-UHFFFAOYSA-N 366.381 1.390 0 40 FDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 13079024 OIWMDXWIYKTYJV-UHFFFAOYSA-N 370.333 1.580 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCC(CCN2CCOCC2)CC1 64333728 JYEXDZSUCURGKD-UHFFFAOYSA-N 373.497 1.306 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCCC2)cc1 4287148 VQRSSSYPBJKAIO-AWEZNQCLSA-N 368.455 1.170 0 40 FDAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NC2CCCC2)n1N 6549365 KKJCPZWWJMBOHD-UHFFFAOYSA-N 364.431 1.421 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc2c(c1)OCCO2 4786576 GZHPCQBVFJILNK-UHFFFAOYSA-N 372.768 1.737 0 40 FDAB Cc1ccc(OCCN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 8935355 KNMODDGMCAZZLL-UHFFFAOYSA-N 353.378 1.676 0 40 FDAB Cc1cc(=O)c(C(=O)NCC(=O)NC(C)C)nn1-c1ccc(Cl)cc1 7116310 SCQXAYHYTSFVGT-UHFFFAOYSA-N 362.817 1.449 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 7787426 JEVNMYUWXNOFFH-INIZCTEOSA-N 365.499 1.251 0 40 FDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)n[nH]1 9110031 QZMPMGOEPPYICN-UHFFFAOYSA-N 365.369 1.699 0 40 FDAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1nc(CS(C)(=O)=O)no1 84721909 JFUAPUSPZBMCNL-LLVKDONJSA-N 361.464 1.556 0 40 FDAB CS[C@@H]1CN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C[C@H]1N(C)C 95444680 XZHUIUGRNRYWBM-BZUAXINKSA-N 355.548 1.918 0 40 FDAB OCCc1ccc(N2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 26781202 XVCFDSSRFDPNBB-HXUWFJFHSA-N 374.456 1.922 0 40 FDAB COC(=O)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 60318119 SRJAJDPGXVJFIH-GOSISDBHSA-N 365.389 1.817 0 40 FDAB Cc1ccncc1S(=O)(=O)NC(=O)C1CN(C(=O)C2CCCCC2)C1 408505320 WRQFSRXCCRBGAD-UHFFFAOYSA-N 365.455 1.234 0 40 FDAB COc1cccc(CC(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)c1 306131966 KUDUEUUMTOMYTI-CGTJXYLNSA-N 368.437 1.613 0 40 FDAB O=C1C[C@H](c2cccc(OCC(=O)Nc3ccccc3)c2)N2N=CNC2=N1 38198671 OWIXTJCHADZLEY-MRXNPFEDSA-N 363.377 1.880 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)c1C(F)F 563528540 CMFFIYXRKOYBIY-WDEREUQCSA-N 361.414 1.856 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cnn(C)c3)CC2)C1 76062997 LEFCFHHEPSNVLN-GASCZTMLSA-N 362.478 1.074 0 40 FDAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 217368705 RZCPYIDJDIKWQI-AWEZNQCLSA-N 360.476 1.329 0 40 FDAB CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)C1 566043535 SVZVKIRCNCYRSH-UYAOXDASSA-N 359.470 1.634 0 40 FDAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1C 72390973 NFHIEFPAZRECQG-INIZCTEOSA-N 366.465 1.998 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2ccccc2)cc1 224197222 KALYQXXXFHWZJS-UHFFFAOYSA-N 362.451 1.675 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(OC)cc2)s1 223362968 MMYRSPZSSKPZLK-SECBINFHSA-N 370.456 1.935 0 40 FDAB CCOc1ncccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 577758387 NRYQGAKZCPQXCK-SWLSCSKDSA-N 357.414 1.163 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1 95479053 AZIKIFNIYZMDBX-ZDUSSCGKSA-N 374.422 1.909 0 40 FDAB CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230477890 QINNBCZMAYXQOG-GUTXKFCHSA-N 362.426 1.334 0 40 FDAB COCc1cnc2n1CCN(S(=O)(=O)c1c(C)nn(C)c1C)[C@@H]2C 96109583 UVJAYZQOZPGWNO-GFCCVEGCSA-N 353.448 1.145 0 40 FDAB O=C(COc1ccc(F)cc1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247729917 GLKXBOFWMNAJHR-INIZCTEOSA-N 373.384 1.834 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)C2CCOCC2)C1 257304424 SLPFKMQDXHKNRI-GFCCVEGCSA-N 355.460 1.021 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1c[nH]cn1)CC[C@H]2O 257231034 GEYBKLNZYHQGCE-NMLBUPMWSA-N 354.454 1.607 0 40 FDAB CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)CC3CCCC3)C2)CC1 257337230 YRYNVDXLINILMQ-LJQANCHMSA-N 351.491 1.131 0 40 FDAB O=C(CC1CCOCC1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257309705 UCBHTQPKNVKUJJ-INIZCTEOSA-N 358.442 1.564 0 40 FDAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cncnc3)C2)n1C 257218922 DEVQSOMTCYSKAD-CQSZACIVSA-N 363.425 1.995 0 40 FDAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1c(C)nn(C)c1C)C2 253387176 ZMLZSRCDUXQEJJ-OAHLLOKOSA-N 370.519 1.158 0 40 FDAB COCC1(C2CCC2)CN(C(=O)NCc2ccccc2S(N)(=O)=O)C1 664905483 FAADSYVNNQFXHL-UHFFFAOYSA-N 367.471 1.292 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cn1c(O)nc2ccccc21 619319097 BVGXBHAIKLBQHX-BLLLJJGKSA-N 355.398 1.369 0 40 FDAB CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)[C@]1(O)CCCOC1 620114614 QGZAHVIRZNIQHL-HRLGVUPISA-N 352.475 1.365 0 40 FDAB C[C@@H]1OCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1C(F)(F)F 622985365 VXSPJKFDZBZQEY-CABZTGNLSA-N 351.346 1.882 0 40 FDAB CCc1nnc2ccc(=NC[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)[nH]n12 645269888 VHTTUAPPTANWPY-UGSOOPFHSA-N 351.414 1.135 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 298214048 ZZNSWMSRZVHNMF-CQSZACIVSA-N 374.462 1.947 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC[C@]1(O)CCOC1 650700603 QEAOUAGDOWWUSS-INIZCTEOSA-N 357.428 1.328 0 40 FDAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cnccn1)C2 575404753 UYKPRRMMSLDVSU-OAHLLOKOSA-N 353.426 1.487 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096097 QQQHDRYOTUMUEB-KCXAZCMYSA-N 358.467 1.843 0 40 FDAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3cccc(C)c3)CC2)CCO1 585283173 CGDYOOLEWPZUOO-IBGZPJMESA-N 361.486 1.163 0 40 FDAB CCn1ccnc1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 590293704 YOAABORDGSXURV-UHFFFAOYSA-N 374.510 1.898 0 40 FDAB Cn1cnnc1[C@H]1CCCN1c1ncnc2c1c(Br)nn2C 95453339 AHIOAXIPTOOGAK-MRVPVSSYSA-N 363.223 1.596 0 40 FDAB Cn1cc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O 5056005 JBQYLULYWVNQNI-UHFFFAOYSA-N 365.194 1.159 0 40 FDAB Cc1cc(NC(=O)CN2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)no1 12087278 DCWFFIXGUUJFGU-LJQANCHMSA-N 370.409 1.579 0 40 FDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 12147719 AGOHCVVFEUTYOT-JTQLQIEISA-N 350.400 1.557 0 40 FDAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCC(C)C)c3=O)cc1 12234014 OSZMPLHGUNDRSP-UHFFFAOYSA-N 357.414 1.575 0 40 FDAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCCn3cncn3)nn2c(O)c1C 12337003 YSQHWMRKKFAREG-HNNXBMFYSA-N 369.429 1.787 0 40 FDAB NC(=O)CCN(C(=O)CN1CCN(c2nccs2)CC1)c1ccccc1 12794510 UOUFXDIRROHFCE-UHFFFAOYSA-N 373.482 1.174 0 40 FDAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CCCO1)C2 19017319 NRQHXLWJRGXETC-DLBZAZTESA-N 358.442 1.614 0 40 FDAB CCn1cc(CN2CCN(C(=O)[C@@H](C)n3cc(Cl)cn3)CC2)c(C)n1 19524562 FSRKJCWAYRDBDK-CQSZACIVSA-N 364.881 1.967 0 40 FDAB CCN(CC)C(=O)CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 19526219 QWWWBCVKCYPYRY-UHFFFAOYSA-N 373.501 1.429 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cnn(C)c2C)C1 19553234 CXDUXOCEAGNCER-FQEVSTJZSA-N 368.437 1.698 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@@H](C(=O)NC2CCCC2)C1 19750486 DKWNCWJWKRISDU-CYBMUJFWSA-N 352.460 1.390 0 40 FDAB COCCn1nc(C(=O)N(C)CCOc2ccccc2Cl)ccc1=O 21961474 WVAFWLQIDHMRTI-UHFFFAOYSA-N 365.817 1.694 0 40 FDAB O[C@H]1CCN(Cc2cn[nH]c2)c2ccccc2OCCCCOC[C@H]1O 2037972640 NXWNVOASIWJYKR-ZWKOTPCHSA-N 361.442 1.717 0 40 FDAB Cc1nccnc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984422 AUERAAHCUFSWKL-WBVHZDCISA-N 366.421 1.679 0 40 FDAB CN1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(CC2CCCC2)C3)C1 2056226352 PQFSGLJXEVTRFF-OAHLLOKOSA-N 362.474 1.283 0 40 FDAB O=C(N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1)C1(F)CCC1 1565547044 MPKRJAWXNYSNQC-GOSISDBHSA-N 351.466 1.816 0 40 FDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1OC 2952475 UEPFTHCSOQSEKJ-UHFFFAOYSA-N 369.377 1.736 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 9970812 HFQIIXXDNXEERH-QGZVFWFLSA-N 360.391 1.471 0 40 FDAB COc1ncccc1CN[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732758 ZEFXNERSHWPRSC-HNNXBMFYSA-N 358.442 1.558 0 40 FDAB O=C(c1cn[nH]c1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974222 DOEQFVRZVYFDMZ-UHFFFAOYSA-N 355.785 1.984 0 40 FDAB Cn1cc(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 42383938 JYCXNNKSQFHAPL-UHFFFAOYSA-N 361.467 1.357 0 40 FDAB COc1cccc(CNC(=O)c2cn(-c3cc(N(C)C)ncn3)cn2)c1 49411347 ALDIWZUPUPVYHP-UHFFFAOYSA-N 352.398 1.667 0 40 FDAB Cc1nc2ccc(C(=O)NCc3nc(-c4cccnc4O)no3)cc2[nH]1 575617143 PRUJETRBGHVRBI-UHFFFAOYSA-N 350.338 1.952 0 40 FDAB CCOC(=O)CCC(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C 575611571 GEMAHDVMLYYHFV-UHFFFAOYSA-N 355.416 1.408 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 40283865 IDQUOXICZUFQLO-UHFFFAOYSA-N 369.377 1.305 0 40 FDAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3cccnc3)nc21 36617216 JFODTHVPZCCREI-UHFFFAOYSA-N 358.379 1.861 0 40 FDAB COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3559253 QPVKCLFAJDGRQT-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)N1CCOCC1 3901120 TXEAKGNGVYRGGV-FSDCSDTHSA-N 352.390 1.471 0 40 FDAB CCC1=NN(C(=O)C(=O)NCCc2ccccc2)[C@@](O)(C(F)(F)F)C1 3905087 OSPUDCFSUAVQAR-HNNXBMFYSA-N 357.332 1.595 0 40 FDAB CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 4081397 VNLQNGYIXVTQRR-NQPIQAHSSA-N 362.466 1.780 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32104819 NARJEOOVZCFSMX-CQSZACIVSA-N 371.846 1.524 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1 8582869 MVFKZBZWJVZPHU-UHFFFAOYSA-N 372.402 1.998 0 40 FDAB Nc1nc(Cl)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 32778840 NWUQLYLQYLNBES-UHFFFAOYSA-N 367.862 1.364 0 40 FDAB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 32797110 FQJXPWRKAYTWFC-IJEWVQPXSA-N 368.499 1.756 0 40 FDAB C[C@H]1CN(S(=O)(=O)NC[C@H](C)N2CCc3ccccc32)C[C@@H](C)O1 32815229 ITRFCMVRGHJKJB-SOUVJXGZSA-N 353.488 1.381 0 40 FDAB C[C@H]1CCCN(CCNC(=O)Cc2csc(N3CCCC3=O)n2)C1 46880552 PVEGYBYDAQWFOV-ZDUSSCGKSA-N 350.488 1.661 0 40 FDAB Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 47353073 FAENFIVPSLHQDI-UHFFFAOYSA-N 362.405 1.433 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1S(C)(=O)=O 23696837 FPEAAEVJMPWVDM-UHFFFAOYSA-N 371.418 1.599 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nnc3nc(O)c(C)nn23)cc1 22719910 ZGFMQGBAKDNSNZ-UHFFFAOYSA-N 374.382 1.051 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](NC(=O)Cc1cccc(F)c1)CCC2 96002936 FDBRXQXEGGVDRF-MRXNPFEDSA-N 358.417 1.847 0 40 FDAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)NCC(F)(F)F 25360358 CIBSGLIBAQHZLL-UHFFFAOYSA-N 363.767 1.776 0 40 FDAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 44245973 HLGANQANLYWDDM-KRWDZBQOSA-N 368.397 1.834 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)n(C)c1 27137425 UXCNXLOLDRALJB-JTQLQIEISA-N 369.418 1.572 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F 20732881 GFTOJZGZBJHFOK-OAHLLOKOSA-N 350.325 1.518 0 40 FDAB COc1ccc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)cc1 58192826 CEGSXEBRXKMSGW-PXAZEXFGSA-N 351.424 1.317 0 40 FDAB Cc1c(OCC(=O)N[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2137222 NBCLVEMIZYHJSQ-NSHDSACASA-N 359.378 1.948 0 40 FDAB biogenic CCCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 36383927 JPWDVDSWANOWNF-UHFFFAOYSA-N 373.906 1.563 0 40 FDAB CCCn1nc(C(=O)OCC(=O)NC(=O)NC(C)C)c2ccccc2c1=O 3304424 YOPPMUNALMVVIZ-UHFFFAOYSA-N 374.397 1.198 0 40 FDAB CS(=O)(=O)c1nnc(NC(=O)c2ccccc2Br)s1 13630120 SGHMVEUJOIEFMS-UHFFFAOYSA-N 362.230 1.956 0 40 FDAB Cc1ccc2[nH]/c(=N\C(=O)CSc3n[nH]c(=O)n3C3CC3)sc2c1 8710597 OXRGCOQPGXJFGI-UHFFFAOYSA-N 361.452 1.977 0 40 FDAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)NCc3ccco3)C2=O)cc1 4313008 QNMHUELGBSLCPE-PTNGSMBKSA-N 355.350 1.935 0 40 FDAB Cc1ccccc1OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 8727414 JBKGVTBMUGXCJD-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)no1 14112751 BBMYZYWAHSPYEP-LBPRGKRZSA-N 360.395 1.535 0 40 FDAB COC(=O)N1C[C@@H](O)[C@H](NCCCc2ccccc2)CN1C(=O)OC 4863013 LRCGOYJUWYBPGW-HUUCEWRRSA-N 351.403 1.004 0 40 FDAB COc1cc(CCC(=O)N[C@H]2CCCCNC2=O)cc(OC)c1OC 6945981 DDMYPGHHQJIACT-ZDUSSCGKSA-N 350.415 1.430 0 40 FDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1nccs1 67706073 TXYPXZWJLIYCAE-AWEZNQCLSA-N 356.407 1.557 0 40 FDAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 9315286 VTECHNRNWOGEGB-SNVBAGLBSA-N 368.436 1.888 0 40 FDAB CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 8090133 KZVQUOVJCGYVLC-UHFFFAOYSA-N 354.428 1.091 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O 8328137 NGHAZWQFTGOVLS-LJQANCHMSA-N 363.377 1.606 0 40 FDAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCNC1=O 9864956 RPYZIQGUYLTXTP-LBPRGKRZSA-N 355.350 1.971 0 40 FDAB CN1CCN(C[C@@H](O)CN(C)C(=O)Nc2cccc3cccnc23)CC1 78599473 GCUQALIGMYVUCJ-INIZCTEOSA-N 357.458 1.307 0 40 FDAB CC(C)Oc1cccc(/C=C/C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 95463739 DJFXHIXPNZLLSP-HVHJFMEUSA-N 366.483 1.979 0 40 FDAB CC(C)c1cc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c2ccccc2n1 95997900 LSAYEAJTADYXKX-UHFFFAOYSA-N 364.409 1.746 0 40 FDAB CC(C)(CNCc1nccn1Cc1ccccc1)N1CCS(=O)CC1 75092255 ZADOYZFKDMEZDU-UHFFFAOYSA-N 360.527 1.864 0 40 FDAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)n1 306133297 MHTWFZCPZPJBGV-HUUCEWRRSA-N 366.469 1.568 0 40 FDAB CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2CC)C1 546251441 RZZMZVGMRHKLMV-AWEZNQCLSA-N 368.455 1.627 0 40 FDAB CN1Cc2c(-c3ccccc3)ncn2C2(CCN(CC(=O)N(C)C)CC2)C1 306141011 VIYAOGZCFQMSOZ-UHFFFAOYSA-N 367.497 1.875 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cn(C)nc2C)cs1 548678583 NMLJNUGNDOUPOM-JSGCOSHPSA-N 351.451 1.836 0 40 FDAB Cn1cnc([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306139086 SOZCOHNWEXRMDC-QRWLVFNGSA-N 368.437 1.881 0 40 FDAB Cc1noc(C2(NC(=O)Nc3cnn(-c4ccccc4)n3)CCOCC2)n1 529040405 MQDGPPXSGZLKJV-UHFFFAOYSA-N 369.385 1.786 0 40 FDAB COCCn1cc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 79493274 MGOZYCPQGMLKBZ-OAHLLOKOSA-N 364.467 1.524 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccn1 31819544 HGZNAHLSJPNIOK-ZDUSSCGKSA-N 370.384 1.006 0 40 FDAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NCCCO)c1 217461238 AHZCFTPDPASJCH-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)[nH]c1=O 72405579 OTNRUZBCLZSVSD-LBPRGKRZSA-N 354.362 1.925 0 40 FDAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222741861 OENCKUJNWRERLA-LLVKDONJSA-N 364.414 1.662 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)cc1N1CCCC1=O 77108567 VOGZBBOWKADUJV-INIZCTEOSA-N 359.426 1.338 0 40 FDAB O=C(c1ncccn1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96111179 GTBZLQAMKDSATR-KDOFPFPSSA-N 358.373 1.711 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96047091 CTRVHMVUKKHNLK-IBGZPJMESA-N 351.410 1.640 0 40 FDAB CC(C)CCN1C[C@H]2CCN(C(=O)c3cccnc3)CC[C@H]2S1(=O)=O 96145551 SCXABDHLGOAAHP-IAGOWNOFSA-N 365.499 1.994 0 40 FDAB CNC(=O)CN[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96241490 XBKAICJESUQJRD-QGZVFWFLSA-N 351.454 1.795 0 40 FDAB O=C1[C@@H]2C[C@@H](CN2C2COC2)Oc2ccccc2N1Cc1ccccn1 96111854 SVFMVBMWRMJDBW-WMZOPIPTSA-N 351.406 1.849 0 40 FDAB biogenic,in-vitro O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1 96041057 JNUPNVQNOJDNDT-RCBQFDQVSA-N 357.389 1.311 0 40 FDAB COc1cc(N2CCC[C@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)ncn1 96223138 SPETZSWJLFCJHH-KSSFIOAISA-N 356.430 1.824 0 40 FDAB COCCNC(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247817689 CBOGQKCBQHWNSF-IBGZPJMESA-N 365.437 1.751 0 40 FDAB O=C(O)CN(Cc1ccccc1)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 257340539 ZGPZTBIMRXFPGQ-RTBURBONSA-N 368.389 1.356 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)n1 257263412 LPUTUYHWLYTOAY-UHFFFAOYSA-N 354.414 1.654 0 40 FDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 265580435 QMRZVUUDQOKDAD-AWEZNQCLSA-N 364.320 1.427 0 40 FDAB COc1ccc2ncc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)n2n1 614216777 ZFIDWKMBQWSWHO-LLVKDONJSA-N 356.386 1.618 0 40 FDAB Cc1ncn(-c2ccc(NC(=O)C3(n4cnnn4)CCOCC3)cc2)c1C 615114679 KNDSPASQBAEFSJ-UHFFFAOYSA-N 367.413 1.620 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643669524 PAGQAEMCBOVBQX-ZDUSSCGKSA-N 351.432 1.673 0 40 FDAB CC(C)N1C(=O)CN(C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1(C)C 656246280 UFDCPOULIFOKSC-UHFFFAOYSA-N 371.445 1.408 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1cncnc1-c1ccccc1)[C@H]1CCOC1 656731218 KQMNBYCZSVINEZ-GOEBONIOSA-N 363.439 1.937 0 40 FDAB CCc1oncc1C(=O)N1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 575404067 MAFVCTHMCYQGFZ-CYBMUJFWSA-N 358.398 1.788 0 40 FDAB Cc1c(CN2CC3(C[C@H](COCc4ccccn4)CN3C)C2)cnn1C 585094000 XRMMCQWVXGTMLW-KRWDZBQOSA-N 355.486 1.846 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276780 IWGGMVUUYHCVIR-INIZCTEOSA-N 353.781 1.648 0 40 FDAB CC(C)c1noc(N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)n1 1616018015 YRWZHEONYJGYTC-IUCAKERBSA-N 356.370 1.452 0 40 FDAB CCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C 12117082 FZEPKVWIWJCTOM-JTQLQIEISA-N 350.400 1.732 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C2)on1 12120124 LDXPKGAILJIZQD-OCCSQVGLSA-N 369.425 1.469 0 40 FDAB Cc1c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cnn1C 12742099 YMCRUWWOWMHZIM-UHFFFAOYSA-N 361.409 1.806 0 40 FDAB COC(=O)[C@H]1CCCCN1C(=O)CCCN1C(=O)c2ccccc2C1=O 12799051 LAMBFIPEMZWYSZ-OAHLLOKOSA-N 358.394 1.617 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccnc3)C2)c2cccnc21 19021861 OCNNYPONGOLFCV-QGZVFWFLSA-N 364.453 1.952 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NCc1ccccc1F 19349493 VOQYKNKLAXVYOX-MRXNPFEDSA-N 354.385 1.853 0 40 FDAB Cc1c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cnn1C 19553163 GRAQLPOGZNZRRH-CQSZACIVSA-N 364.409 1.504 0 40 FDAB COc1cccc([C@H](CNS(=O)(=O)c2cnn(C)c2)N2CCCC2)c1 19662831 YLVSHZQBHBIJJI-KRWDZBQOSA-N 364.471 1.544 0 40 FDAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2C 19698489 QECGCFRMLBLVNC-ZDUSSCGKSA-N 367.475 1.027 0 40 FDAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(OC)c(C)c1 19929622 ZXTRRTRFNKFNBW-UHFFFAOYSA-N 366.439 1.924 0 40 FDAB COCCn1cnc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1888903982 YEGKBPPXLMTYOE-UHFFFAOYSA-N 356.405 1.938 0 40 FDAB Cc1cc(C(=O)N2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)no1 2037985025 VJMXOPXWLRTKOC-LJQANCHMSA-N 371.393 1.258 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nccc(C)n5)C[C@@H]4C3)ncnc21 2087026220 SSZRTTDXQQOBOS-KBPBESRZSA-N 350.430 1.517 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4noc(C)n4)CC3)nc(C)n2)n1 2087144435 UFXRNQDZQQBRKV-UHFFFAOYSA-N 368.445 1.601 0 40 FDAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)c1C 1565555862 RFXDNEGZWVPCEY-UHFFFAOYSA-N 371.441 1.513 0 40 FDAB CC(C)CC(=O)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 4328356 KXPZUGRIBALYLD-SNVBAGLBSA-N 358.489 1.910 0 40 FDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1nc2ccccc2[nH]1 6454613 SVADMFHFBMKKPR-HNNXBMFYSA-N 357.395 1.594 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)c(C)c2)cc1 9571084 IYKNKPWPFVUTBM-UHFFFAOYSA-N 373.438 1.766 0 40 FDAB Cc1cccc(NCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9763926 ILHZMUMWAAGIBJ-UHFFFAOYSA-N 366.425 1.415 0 40 FDAB CC(C)Cn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 14075206 NNNSMMBMHMGFEU-OKILXGFUSA-N 361.490 1.568 0 40 FDAB COc1ccc(CN[C@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)cc1 2055730193 KMSMCRBKIXNNMH-JKSUJKDBSA-N 357.454 1.897 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771784 YDLUFFUQEUXWDO-IBGZPJMESA-N 360.458 1.154 0 40 FDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccccc1F 2055734769 UICVIUJQNDYFPA-ZDUSSCGKSA-N 359.401 1.933 0 40 FDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772465 LGEJAMNKJWQDEN-IBGZPJMESA-N 356.426 1.691 0 40 FDAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 2055824367 JECDZTDRUOTIQZ-DNVCBOLYSA-N 355.442 1.415 0 40 FDAB O=C(CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1)Nc1ccc(F)cc1 2086882005 TXIOENYPMRQPHQ-CQSZACIVSA-N 355.435 1.310 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1 245020869 MKYFGWPNAYVGCL-AWEZNQCLSA-N 369.493 1.758 0 40 FDAB COc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)c(C)c1 390830791 NLOTVGBJMJFMII-UHFFFAOYSA-N 369.487 1.676 0 40 FDAB CS(=O)(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O 1438677 WQQSZUOPXYMGKN-KRWDZBQOSA-N 370.430 1.842 0 40 FDAB CCOc1ccc2[nH]c(=O)c(/C=C3/C(=O)NC(=S)N3C(C)=O)cc2c1 31976712 VCWFUYMEWDHVKC-ZSOIEALJSA-N 357.391 1.531 0 40 FDAB C[C@@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)c1ccc(Br)cc1 51676405 RGBBBCFNXFXCGT-BXKDBHETSA-N 356.220 1.406 0 40 FDAB CC[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCCOC 4967089 HBSCUIMLMBPELV-OCCSQVGLSA-N 366.439 1.574 0 40 FDAB CC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 20892375 VHJDPMICVKLQLX-UHFFFAOYSA-N 354.428 1.283 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cnn(C)c1 32539902 AXGKSWJPMBMEMY-OAHLLOKOSA-N 357.458 1.716 0 40 FDAB CCOC(=O)CN(CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 32916190 BHGLFZZOXDBNHQ-KBXCAEBGSA-N 353.463 1.966 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)n3cccc/c3=N\C3CCCCC3)cnc21 21900275 KDDDSAUQPDMQPQ-CJLVFECKSA-N 366.425 1.505 0 40 FDAB O=C(CSc1ncnc2sccc12)OCC(=O)N1CCCC1=O 9719132 WIIWVCKIMWYDPD-UHFFFAOYSA-N 351.409 1.476 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 41673510 ZAVOTUKAEPYGKK-LBPRGKRZSA-N 360.863 1.507 0 40 FDAB CC(=O)N1CCN(C(=O)COc2ncnc3sc4c(c23)CCCC4)CC1 8186009 XTAMPGIYMFUOJV-UHFFFAOYSA-N 374.466 1.640 0 40 FDAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(N)=O)cc1 22233365 CCLAUYFUZHSXLI-UHFFFAOYSA-N 352.387 1.656 0 40 FDAB COc1ncccc1NC(=O)C(=O)NCCc1nc(-c2ccccc2)no1 61717504 AWJSVCODDAFNKN-UHFFFAOYSA-N 367.365 1.438 0 40 FDAB CCOCCCNC(=O)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 25596532 YWXGEAKIGJUPHG-CABCVRRESA-N 354.447 1.511 0 40 FDAB C[C@H](OC(=O)NC(=O)C(F)(F)F)[C@H](C)OC(=O)NC(=O)C(F)(F)F 1805319 OAEIELZEEGOMSL-IMJSIDKUSA-N 368.186 1.394 0 40 FDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709736 WLGQYHJOKOKDRA-UHFFFAOYSA-N 372.425 1.216 0 40 FDAB COCCn1c(N)c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc21 2240471 FSCVETXEQLGNFK-GFCCVEGCSA-N 369.425 1.722 0 40 FDAB CC(=O)Nc1nc(COC(=O)CCc2c(C)nc3ncnn3c2C)cs1 24238872 PPWBSEQCWZLUND-UHFFFAOYSA-N 374.426 1.832 0 40 FDAB O=C(CCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 12978894 MWBUDDFCCANXRF-CYBMUJFWSA-N 358.847 1.153 0 40 FDAB CCN1CCN(C(=S)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 3906960 LNYORWBKWKWCQM-UHFFFAOYSA-N 365.455 1.594 0 40 FDAB CCCS(=O)(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 49462065 KQZOXYQUSWRSSS-MRXNPFEDSA-N 366.483 1.558 0 40 FDAB COc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1 4136906 UAICACIMYIEFAR-UHFFFAOYSA-N 363.391 1.947 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12 5091139 ADBHLWJITZEUHY-XVKPBYJWSA-N 371.136 1.377 0 40 FDAB COc1ccc(OC)c(NC(=O)CCn2nnc3ccccc3c2=O)c1 5245983 URILKXYLAJCPGF-UHFFFAOYSA-N 354.366 1.838 0 40 FDAB CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCCC1 14187574 HATFGYOUIAFMKE-UHFFFAOYSA-N 351.472 1.488 0 40 FDAB CC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14135995 VDPXWWWQAKSOIV-UHFFFAOYSA-N 373.906 1.561 0 40 FDAB CCOC(=O)Cc1nnc(NC(=O)COc2ccc(OC)cc2)s1 5478206 SVDZPJHSOBBEBW-UHFFFAOYSA-N 351.384 1.670 0 40 FDAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@H]1CCCO1 6566751 ZDMQQAULUHPGKH-GFCCVEGCSA-N 362.455 1.924 0 40 FDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c(F)c1 8757336 DXLMDRHVRNMQAM-UHFFFAOYSA-N 355.391 1.998 0 40 FDAB COc1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccccc4)[C@H]3C2)ncn1 306134783 NYELFYWFEHUHBX-BZUAXINKSA-N 354.410 1.366 0 40 FDAB O=c1c2ccccc2n(CCN2CCOCC2)c(=O)n1-c1ccc(F)cc1 71283354 VDTLLGGATNSHSX-UHFFFAOYSA-N 369.396 1.624 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4cccnc4)C[C@@H]23)n1 306141857 WILHZAJIADRMFB-ULQDDVLXSA-N 354.410 1.736 0 40 FDAB Cc1[nH]c(C(=O)NCc2csc(C(C)C)n2)c(C)c1S(N)(=O)=O 84007952 TWMCKDNPVMFQDT-UHFFFAOYSA-N 356.473 1.789 0 40 FDAB Cc1cc(CN2CCn3cc(CC(=O)NCC4CC4)nc3[C@H]2C)n(C)n1 306125092 CGSIUUAKQLQOEN-CQSZACIVSA-N 356.474 1.571 0 40 FDAB CN(Cc1cnn(C)c1)S(=O)(=O)N1CCO[C@H](c2ccccc2)C1 84318460 OWZXSDPHLMDDSZ-INIZCTEOSA-N 350.444 1.170 0 40 FDAB CN1CCN(c2cc(CNC(=O)[C@H]3Cc4cc(F)ccc4O3)ccn2)CC1 76959114 SHPHKQWZVCIIQK-GOSISDBHSA-N 370.428 1.592 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1C 408619638 HZWDOWZIWLUVKS-UHFFFAOYSA-N 350.444 1.310 0 40 FDAB COc1ccccc1OCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 72264674 GRDOPVBDZFBLFC-GOSISDBHSA-N 370.449 1.952 0 40 FDAB CN(Cc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccccc1 30879646 BPZYGHMFXJMQGC-FUMNGEBKSA-N 370.449 1.038 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218025066 UPUHRNZJJNUABG-CKEIUWERSA-N 354.472 1.809 0 40 FDAB COc1cc(-c2nc(N)cc(SCC(=O)O)n2)cc(OC)c1OC 49470074 XNCGWPOPQKOGJZ-UHFFFAOYSA-N 351.384 1.928 0 40 FDAB COc1ccc(S(=O)(=O)NCCC(C)C)cc1N1C(=O)CCC1=O 225736189 GUDVPIKTTIAXFX-UHFFFAOYSA-N 354.428 1.673 0 40 FDAB COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224818091 BSXJFOMDCAEXPM-UHFFFAOYSA-N 363.391 1.826 0 40 FDAB CCOC(=O)c1sc(NC(=O)Cn2ncc3ccccc3c2=O)nc1C 44599909 WAKZUFPBUNSOSD-UHFFFAOYSA-N 372.406 1.977 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C2(O)CCOCC2)cs1 583621530 XPMWMTZCIIBNGB-ZFWWWQNUSA-N 371.478 1.364 0 40 FDAB O=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 96220274 PVTUCUBGNSYFQZ-MRXNPFEDSA-N 353.426 1.979 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)N1CCCC1)C2 96238037 CBHNTVSVFJCDAW-LJQANCHMSA-N 360.433 1.764 0 40 FDAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96243638 HQKOTHARTDUUOT-MRXNPFEDSA-N 358.442 1.891 0 40 FDAB CC(=O)O[C@@H]1[C@@H]2COC(=O)N2C[C@@H](OCc2ccccc2)[C@H]1OC(C)=O 255189972 UCYUUZHBCDFVLU-YLFCFFPRSA-N 363.366 1.270 0 40 FDAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N(C)CC1(C)COC1 624319463 NYSCLVTXYOIDGT-CZUORRHYSA-N 363.462 1.462 0 40 FDAB CN1C(=O)CC[C@H](CNCc2cnc3[nH]ccnc2-3)[C@H]1c1cnn(C)c1 1775959195 KXEWCPBRWTYUFW-PXAZEXFGSA-N 353.430 1.342 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2ccc3c(c2)OCCO3)C1 1775957266 LHLPVQUBCOWRDX-CABCVRRESA-N 356.426 1.958 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2C[C@@]2(F)c2ccccc2)C1 624245353 AJPUAZJFFXQCSS-UKPHBRMFSA-N 369.462 1.595 0 40 FDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@H]1CC(=O)N(c2ccccc2)C1 655599892 SEACLDIVSCOXLE-GOEBONIOSA-N 353.378 1.247 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1ccoc1)c1ccco1 390826265 GRXDSBZKAPGYHN-LJQANCHMSA-N 368.345 1.833 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccc(Cl)c3)C2)OC1 585104449 IQIOGDJUTYOAQI-CQSZACIVSA-N 358.891 1.870 0 40 FDAB COC[C@]1(CC(N)=O)CN(Cc2ccc3cc(OC)ccc3c2)CCO1 585277574 IXJSVCYQMAJTFV-FQEVSTJZSA-N 358.438 1.941 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccc(F)cc1)C2 585103763 ZZKJPXRPLNVKSY-OAHLLOKOSA-N 356.463 1.746 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]21 585109212 CXAUHTGNUXXWAJ-PMPSAXMXSA-N 357.435 1.689 0 40 FDAB Clc1cc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)cc2c1OCCO2 685940454 ATHNOFAPMNUCMA-DZGCQCFKSA-N 351.790 1.770 0 40 FDAB NC(=O)[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 50841744 PNMIENYZGQYBSJ-CQSZACIVSA-N 352.818 1.101 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)CC1 56999092 FWHKGCIGBSTWDE-OWCLPIDISA-N 373.563 1.531 0 40 FDAB CCOC(=O)c1csc(N2CCN(c3cc(N(C)C)ncn3)CC2)n1 1166803244 KBMMJOYLBDIZGM-UHFFFAOYSA-N 362.459 1.502 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 13002963 WZRZGSXSNSKBTR-KGLIPLIRSA-N 352.412 1.590 0 40 FDAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 14153193 CXTIKPYYWFNJDA-UHFFFAOYSA-N 357.366 1.397 0 40 FDAB CCCn1cnc2c1CN(S(=O)(=O)c1ccccc1)[C@H](C(=O)OC)C2 15676583 OVPKKXCEONMHIK-HNNXBMFYSA-N 363.439 1.582 0 40 FDAB biogenic,in-vitro C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 17113768 YPGRYFXPRAKHIL-OQPBUACISA-N 366.215 1.280 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 19237986 QESFRBVKZVLHQK-DYVFJYSZSA-N 354.458 1.627 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19446089 LPXSMCWEPXOGPJ-HNSFDTNUSA-N 364.829 1.783 0 40 FDAB CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 19446891 QIWFKFSJUHSOOA-INIZCTEOSA-N 372.473 1.785 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](C)CO 19696611 FCOUCMXMFKIJBT-XOBRGWDASA-N 371.437 1.762 0 40 FDAB CCC(=O)N1CCC(c2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697356 MLIXXFALXGLBGA-AWEZNQCLSA-N 359.474 1.604 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(Cn2cncn2)c1 19715396 ZKRATVNBSWFVSH-UHFFFAOYSA-N 366.406 1.737 0 40 FDAB CC(C)CN(Cc1ccnc(-c2ccccc2)n1)[C@@H]1COC[C@@H](O)[C@H]1O 643585958 IDBZWRYGNNMRQM-QRVBRYPASA-N 357.454 1.722 0 40 FDAB CCOC(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570037 XDUWTQKOPVRYFC-UHFFFAOYSA-N 359.423 1.024 0 40 FDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC2(CC=CNC2=O)CC1 12734673 QSVNBHIIVMXPCX-UHFFFAOYSA-N 374.413 1.700 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CC[C@H](COc2ccc(C)nn2)C1 1888857243 QVDDIXIVHNNXRI-ZDUSSCGKSA-N 358.398 1.033 0 40 FDAB O=C(NC1CCCCC1)[C@@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226139 LISMDUUKMRCFAL-AZUAARDMSA-N 359.470 1.890 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 1565549462 XIFCUIFCIPHWGB-PXNSSMCTSA-N 359.470 1.180 0 40 FDAB COc1cc(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)on1 1565544949 AQCCVNZHOZIDRL-UHFFFAOYSA-N 358.398 1.323 0 40 FDAB CC(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 4323071 HDIDMAMRQYZMIG-UHFFFAOYSA-N 357.451 1.050 0 40 FDAB CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3cc(C)cs3)C2)C1 2055819322 YPNKBRVSUHAKGP-GOSISDBHSA-N 365.499 1.357 0 40 FDAB Cc1ccc(N2C[C@H](NC(=O)NCCCN3CCOCC3)CC2=O)cc1 22664424 KUXAFCPQKILSGA-MRXNPFEDSA-N 360.458 1.122 0 40 FDAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccn(C)c1=O 23136245 HIBKMATWFJIMNB-UHFFFAOYSA-N 369.450 1.589 0 40 FDAB Cc1nc2ccc(N3CCN([C@@H]4CCN(C(C)C)C4=O)CC3)nn2c1C 2298043490 ZYCTXDYHGUQGOY-MRXNPFEDSA-N 356.474 1.477 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC 12662575 BBBLNHXITNZBEV-ZJOBFFGXSA-N 361.442 1.565 0 40 FDAB biogenic CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 922294 RDNQRAALNQMERS-UHFFFAOYSA-N 354.457 1.225 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 11495310 JHPBWOXULSBPKH-AWEZNQCLSA-N 352.456 1.722 0 40 FDAB Cc1cnn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c1 2792590 VULXBJGUYQGQNW-UHFFFAOYSA-N 363.219 1.817 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101329349 LHGXJXHMCYFVTM-CGTJXYLNSA-N 367.449 1.675 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 20714393 VAJWKXNYZDFVBY-ZDUSSCGKSA-N 371.393 1.187 0 40 FDAB CCOc1cc(C(=O)O)cc(I)c1OCC(N)=O 7604174 BCOBSIIZKKQQFC-UHFFFAOYSA-N 365.123 1.252 0 40 FDAB CC(=O)N1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 32841455 XEUHAGAXGFHXMU-UHFFFAOYSA-N 352.818 1.735 0 40 FDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 21733960 QERPJKMTWSUVFP-SFHVURJKSA-N 365.405 1.524 0 40 FDAB O=C(CN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 21822351 VJHHLKWWTDBBDX-UHFFFAOYSA-N 373.375 1.813 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN(C)C)C2)cc1 22258769 NMEJMWKKHPGANT-OAHLLOKOSA-N 353.488 1.074 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1 101509234 KWCBKJHLPZHEKH-LDDOYCOJSA-N 350.367 1.081 0 40 FDAB COc1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1OC 33324537 RWHKOTOLUZBPQV-UHFFFAOYSA-N 366.377 1.961 0 40 FDAB Cc1csc(NC(=O)COC(=O)CCn2c(=O)n(C)c3ccccc32)n1 21733758 IOCWMQLWJXVUNK-UHFFFAOYSA-N 374.422 1.677 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)NCC1(c2ccccc2)CCCC1 22634520 FDQPYLKFEYVJQQ-UHFFFAOYSA-N 373.497 1.453 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)COc1ccccc1 22666446 PATFMVBEZWSPKF-UHFFFAOYSA-N 356.378 1.569 0 40 FDAB CCCCN1CC(=O)N(c2ccc(OCC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55387433 FKZDDUBUVGOKEP-DLBZAZTESA-N 366.483 1.700 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 104886371 HWXQULAUFVJOCW-MRLBHPIUSA-N 360.476 1.147 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c1 58218943 HLWSFLBBKGXJOU-KSSFIOAISA-N 363.435 1.511 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCc1ccccc1 24969429 ZKCNFJKQJRWREX-UHFFFAOYSA-N 365.437 1.737 0 40 FDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)Cn2cnc3ccc(F)cc3c2=O)C1 55407460 UZYOWZQLPAQIFU-ZIAGYGMSSA-N 360.433 1.772 0 40 FDAB O=C(COC(=O)c1cc(Cl)c[nH]1)NC[C@@H]1COc2ccccc2O1 25199201 QOGXMUMOTMHHNH-LLVKDONJSA-N 350.758 1.781 0 40 FDAB CN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 35843163 DMXGFDSGVSISBY-UHFFFAOYSA-N 354.657 1.434 0 40 FDAB C[C@@H](NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 3302020 QFEAXYMXSYHPCL-CYBMUJFWSA-N 366.373 1.703 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1OC 28325851 WUEGHTBSWGTUPL-ZDUSSCGKSA-N 354.428 1.136 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C)CC2)c1 12995071 IAPCNQQKBIGURQ-UHFFFAOYSA-N 357.451 1.244 0 40 FDAB Cn1nc(C(=O)OCC(=O)NCc2cccs2)c2ccccc2c1=O 3597565 NGEWFUKYPUWLPG-UHFFFAOYSA-N 357.391 1.468 0 40 FDAB CC(C)CN(C(=O)C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23079053 UUNBKPMHCLXCAX-UHFFFAOYSA-N 356.426 1.566 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3S2(=O)=O)cs1 306130817 JQCDDEJOHJKKFI-GDBMZVCRSA-N 364.496 1.493 0 40 FDAB CC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 8389516 SWBBYWYSUOLRRC-UHFFFAOYSA-N 353.444 1.134 0 40 FDAB CCn1cc(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)Cl)c(C)n1 17073721 XIPTYYAQRNRZTD-SNVBAGLBSA-N 356.782 1.502 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 5352098 REKMRLGIBSBGID-UHFFFAOYSA-N 358.375 1.370 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccco1 14139851 JNPXMBQVNHIBJD-HXPMCKFVSA-N 369.377 1.687 0 40 FDAB COc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 14603652 FWVGZPXZZADGHX-UHFFFAOYSA-N 362.451 1.918 0 40 FDAB O=C(c1cc(C2=NN=C(NC[C@@H]3CCCO3)SC2)c[nH]1)N1CCCC1 8943912 MMRNNVSTRGCFLU-ZDUSSCGKSA-N 361.471 1.826 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 7553162 PPMIWKHUJIGUSP-UHFFFAOYSA-N 361.398 1.733 0 40 FDAB NC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC3)cc(C(N)=O)c1 9051292 OWEWKTNPWXOQAD-UHFFFAOYSA-N 353.378 1.391 0 40 FDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(Br)cc1 9366666 FSCDSUWEHNMTJE-LURJTMIESA-N 369.248 1.918 0 40 FDAB O=C(CSc1nnnn1C1CC1)Nc1ccc(N2CCCC2=O)cc1 9639255 YKYRQFNIFIQBAD-UHFFFAOYSA-N 358.427 1.866 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCCN(c4cccnn4)CC3)nn12 84429207 ZGFUMKUZIMLKBC-UHFFFAOYSA-N 364.335 1.650 0 40 FDAB COc1ccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1C 79112628 CTTDNZQGIGXIIT-CYBMUJFWSA-N 365.498 1.112 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccncc3)CCOCC2)o1 1547139634 WKSMLPHJQDBDOH-UHFFFAOYSA-N 358.394 1.804 0 40 FDAB biogenic COC(=O)CCN(CCC(=O)OC)c1cc(NC(C)=O)ccc1OC 34064664 XUBDTGBUGMAAHD-UHFFFAOYSA-N 352.387 1.586 0 40 FDAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C1CCS(=O)(=O)CC1 531516781 LONCTNFCLOHLEP-ZDUSSCGKSA-N 372.393 1.011 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(N)CO)cc1 218171282 IJRHAVCJAXLBLA-KSZLIROESA-N 361.419 1.353 0 40 FDAB O=S(=O)(C1CC1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 374568686 DQAGDMQAAACGNB-UHFFFAOYSA-N 350.366 1.500 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2nccn2C(F)F)CC1 124997409 QHEHVZRNZQWDFW-UHFFFAOYSA-N 353.373 1.770 0 40 FDAB Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 72354532 FOGQHEVHIIYYNZ-FQEVSTJZSA-N 374.460 1.469 0 40 FDAB CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cn1C 180908465 VLNFMSLAFGJGKH-UHFFFAOYSA-N 354.432 1.813 0 40 FDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O 218138945 BOKVLSLNUWIKTD-VNHYZAJKSA-N 357.453 1.235 0 40 FDAB Cc1ccc(C(=O)NCCN2CCN(S(=O)(=O)C(C)C)CC2)s1 72242747 FUOAKZVQONBHRL-UHFFFAOYSA-N 359.517 1.142 0 40 FDAB Cc1cc(C)n(CCC(=O)NCCN2Cc3ccccc3OCC2=O)n1 225770238 KAQLLLNVLZFURU-UHFFFAOYSA-N 356.426 1.427 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCOCc1ccccc1 224282597 RZFSWNTWUIWOHQ-CALCHBBNSA-N 356.422 1.661 0 40 FDAB O=C(c1ccccc1F)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224317866 DDRYURKRTDDTJQ-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB Cn1nc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)ccc1=O 85470911 UYDVWTMGQNCWLM-UHFFFAOYSA-N 370.409 1.407 0 40 FDAB CCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 224264727 KARPPGUNOCLYOO-UHFFFAOYSA-N 354.472 1.939 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccncc2)C[C@]2(CC(=O)N(C)C2)C1 97952767 IQKOVHXVSYWXCG-LJQANCHMSA-N 359.474 1.166 0 40 FDAB Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 95477519 MWWCYWNEHSCLFP-CYBMUJFWSA-N 351.403 1.370 0 40 FDAB CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1cn(C)cn1)CCC2 96259274 ZENBQPIKXONBGB-UHFFFAOYSA-N 366.491 1.051 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158802 LHPGGIRSOYEWCW-UHFFFAOYSA-N 353.426 1.379 0 40 FDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCc1cccnc1 96112979 ACMXOASDCUUABF-ZWKOTPCHSA-N 352.438 1.650 0 40 FDAB biogenic,in-vitro Cn1ccnc1CN1CCOC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 96240128 RWRPWWLPCHPIGN-IBGZPJMESA-N 374.416 1.194 0 40 FDAB COc1cc(N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)ncn1 248104711 FPJADHOSGPKWJZ-HNNXBMFYSA-N 355.442 1.860 0 40 FDAB Cc1ccc(C(C)(C)C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)cc1 257275015 NNPOYEQYIYLSBG-FQEVSTJZSA-N 354.454 1.820 0 40 FDAB COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257274476 NLEOLQONPMAKGX-KRWDZBQOSA-N 357.410 1.950 0 40 FDAB CCc1cc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)on1 257240796 HVFWIOJOCFSSPO-LLVKDONJSA-N 352.416 1.731 0 40 FDAB COc1ccc2[nH]cc(C(=O)N3CCO[C@H](c4nccnc4N)C3)c2c1 257321590 WCGOTCDPBUUZGX-HNNXBMFYSA-N 353.382 1.762 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OC[C@]1(C)O 257237603 HHFWZPFKYBUJHF-WMZOPIPTSA-N 358.442 1.297 0 40 FDAB Cc1nccn1CC(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257239902 HRHOWNZKDGZRNG-HXUWFJFHSA-N 354.454 1.213 0 40 FDAB CNC(=O)[C@H]1CCCN1C(=O)C[C@](C)(C(=O)O)c1ccc(Cl)cc1 634872770 VOLYCUGFNKAJTI-DYVFJYSZSA-N 352.818 1.809 0 40 FDAB Cc1ccc(-c2noc(CN3CCN(CCN4CCNCC4)CC3)n2)cc1 649411445 YNASPNFTRIGZKG-UHFFFAOYSA-N 370.501 1.068 0 40 FDAB COCCN1CCC[C@H](NC(=O)C2CN(C(=O)C3CCCCC3)C2)C1 653225367 YBFSZBXCJAIZDK-KRWDZBQOSA-N 351.491 1.252 0 40 FDAB Cc1cc(C(=O)N2NC(=O)C[C@]23CCCC[C@H]3C)nc2nc(O)nc(O)c12 1300778823 AYPUBENBRONHRJ-MGNBDDOMSA-N 371.397 1.570 0 40 FDAB CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1 603154285 KDBAZDHZSCZYKT-NXVGIKJESA-N 356.426 1.553 0 40 FDAB Cc1nc2nc(CN3CCN(c4ccccc4Cl)C(=O)C3)cc(O)n2n1 92001805 OVDVUALUUPUBDH-UHFFFAOYSA-N 372.816 1.641 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1F 96098238 IWNHHAPKWPJKNN-UHFFFAOYSA-N 365.448 1.422 0 40 FDAB Cn1nccc1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cn1 575621096 YHVWDMGDLJTEJN-UHFFFAOYSA-N 370.434 1.896 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C[C@@H]21 585284494 SQXNNUNSBXVPFF-OGNFBWPZSA-N 368.518 1.512 0 40 FDAB CO[C@@]1(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CCSC1 96120689 RAXFZRWFZRMTQU-CQSZACIVSA-N 365.423 1.935 0 40 FDAB COc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2c(C)noc2C)c1 106981988 UOJDXTSZTQQRBY-ZIAGYGMSSA-N 350.396 1.909 0 40 FDAB c1nc(N2CCOCC2)cc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 301794576 XZWGMTHHWGAOSM-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB CC(=O)N1CCCN(S(=O)(=O)c2cccc(Br)c2)CC1 5976204 CHMSFIJUVKGFFS-UHFFFAOYSA-N 361.261 1.692 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccco1 5558902 VJJNPZHFHXEWDE-UHFFFAOYSA-N 366.395 1.561 0 40 FDAB CCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 14196876 QTFRTPBWOFCJBL-UHFFFAOYSA-N 373.478 1.745 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cn1 19238893 DFQHXTYKXHXJRB-MRXNPFEDSA-N 362.393 1.908 0 40 FDAB Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N(C)CCc2ccccn2)n1 19578981 FLDFMPSVWKTPDU-UHFFFAOYSA-N 352.442 1.969 0 40 FDAB COc1ccc(CN(C)C(=O)[C@H]2CN(c3ncccn3)CCO2)cc1OC 19747321 VQIYNKAWCDLACN-QGZVFWFLSA-N 372.425 1.358 0 40 FDAB COc1cc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc(OC)c1 1888849980 CDDHWIHPQVFCSC-KRWDZBQOSA-N 366.483 1.480 0 40 FDAB O=C(c1cccc2c1OCCO2)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888879559 DVMZIFRJTDVROM-ZIAGYGMSSA-N 352.394 1.456 0 40 FDAB O=C(Cn1cccn1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888890179 QYYIMHGAQNUTOW-UHFFFAOYSA-N 364.409 1.395 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc2c(c1)OCCO2 240002255 PQEPVBDLZLVUJQ-AWEZNQCLSA-N 370.361 1.216 0 40 FDAB O=C1CCCN1CCC(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037909259 JCEPRPYOZBCLNP-HXUWFJFHSA-N 360.454 1.822 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)c1ccccc1Cl)CCO2 2037985666 ROJKAAIQKKHAJQ-GOSISDBHSA-N 366.845 1.818 0 40 FDAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3ccccc3F)CC2=O)c1 5222014 WTYYOKNACLCCSV-LBPRGKRZSA-N 364.398 1.918 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccc(F)cc2)CC1 2055772767 AWWCGKQGSHERHI-UHFFFAOYSA-N 358.417 1.671 0 40 FDAB CCOC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 36666216 ICKBZSMDAAEAMP-CQSZACIVSA-N 368.455 1.299 0 40 FDAB Cn1cccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 77184076 MSSNSDNFZKXNKN-ZDUSSCGKSA-N 371.315 1.712 0 40 FDAB O=C(O)CCOCCOCCOCCOCCOCc1ccccc1 104530214 PEKSQIHLMQRCNM-UHFFFAOYSA-N 356.415 1.744 0 40 FDAB CN(C)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cn1 30585019 BEZKHZZHCRKLTK-OAHLLOKOSA-N 352.398 1.206 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)cc1 30848526 IGVRJYCKJRBDSG-HNNXBMFYSA-N 350.415 1.519 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 17169646 CGDWTYMPASSUQM-UHFFFAOYSA-N 358.394 1.474 0 40 FDAB COc1ccc(CCNc2c(NCCCN(C)C)c(=O)c2=O)cc1OC 101677953 STEDPZTVSNNOBI-UHFFFAOYSA-N 361.442 1.318 0 40 FDAB CCC(CC)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 2627989 XIZWRAUGQCXYMP-INIZCTEOSA-N 356.426 1.936 0 40 FDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1cc(C)on1 2650840 IXKBZSSRZVRUAG-UHFFFAOYSA-N 374.397 1.653 0 40 FDAB Cc1nnc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)[nH]c1=O 11903665 NYCBUIXYYFJJRB-UHFFFAOYSA-N 364.412 1.474 0 40 FDAB Cc1ccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)cc1C 10111663 BVKZSAPHUANKTG-UHFFFAOYSA-N 355.504 1.527 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc2c(c1)OCO2 102850809 JAKQNMZJQIUWTK-OKILXGFUSA-N 358.394 1.597 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1)NC1CC1 22931725 CSPKSDPTJRMZEL-WMZOPIPTSA-N 362.518 1.064 0 40 FDAB CC(C)C(=O)N1CCC[C@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 23190558 FPTAEKBWYTUUHD-LBPRGKRZSA-N 367.396 1.914 0 40 FDAB CN1CCN(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 20806845 OPDUXCHFMYABLL-UHFFFAOYSA-N 354.450 1.713 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 58166081 GMMFSWAMBRKFGU-HUUCEWRRSA-N 360.458 1.169 0 40 FDAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58177630 BUIKLAMUNILWPE-CQSZACIVSA-N 374.466 1.752 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)CC1CC1)Cc1cn(C)nc12 306143846 YOBBGECTTQZPAT-UHFFFAOYSA-N 359.474 1.578 0 40 FDAB O=C(CNC(=O)c1ccsc1)NCCNC(=O)c1ccc(F)cc1F 58244032 OHVZIGFCVLAYKG-UHFFFAOYSA-N 367.377 1.302 0 40 FDAB COc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 58265181 RXRVEJACHCNRNH-UHFFFAOYSA-N 369.421 1.890 0 40 FDAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 23078230 FJAILHPPENYWDW-HNNXBMFYSA-N 369.421 1.849 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCCCCC1 3329565 RJTIBGBVWQYMAC-IBGZPJMESA-N 357.410 1.619 0 40 FDAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncnc12 28557315 RTMATJJRUNRDDG-UHFFFAOYSA-N 354.389 1.773 0 40 FDAB Cc1c([C@@H]2NC(N)=Nc3nc4ccccc4n32)n(C)n(-c2ccccc2)c1=O 48356268 MWSRGBFJJFWIOC-QGZVFWFLSA-N 373.420 1.930 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)n(C)c1 12940077 SHTVKQMMTALLJI-UHFFFAOYSA-N 350.400 1.144 0 40 FDAB COc1ccc(CN2CCN(C(=O)Cn3nnc4ccccc43)CC2)cc1 14136831 MZLJCQNEAABAMJ-UHFFFAOYSA-N 365.437 1.784 0 40 FDAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1OC 5536469 CRAGSYHFNALGKR-LLVKDONJSA-N 372.377 1.987 0 40 FDAB O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14914192 AYMANLCQCFWMQF-SECBINFHSA-N 350.849 1.023 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976092 YCFOBXORKLGKJF-TZMCWYRMSA-N 350.415 1.365 0 40 FDAB Cc1noc(C)c1COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 6943381 UPUNCSKVNCFXCA-JTQLQIEISA-N 363.395 1.462 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)ccc1O 7777999 CJRPGLQWAZMFRV-JTQLQIEISA-N 365.363 1.209 0 40 FDAB COC(=O)CC1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)CC1 71335713 VLNIHKRETGNMJG-GFCCVEGCSA-N 358.398 1.154 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H]1COc3ccccc3O1)C2=O 8326129 SJAWSBSKAOEOEJ-QNNTWYEPSA-N 359.382 1.358 0 40 FDAB COC(=O)CCCn1c(C)cc(C(=O)COC(=O)c2nccnc2N)c1C 9513095 JWBRYLJOAARBEN-UHFFFAOYSA-N 374.397 1.470 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c2ncccc12 97015110 XSELDJDFHMRFPJ-LLVKDONJSA-N 362.415 1.114 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 84583100 PKDBTUPSXOVQMO-GHMZBOCLSA-N 358.316 1.353 0 40 FDAB C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 95457483 ZOYYBSAXMRYKDU-YPMHNXCESA-N 358.485 1.574 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 95458057 DXOOLYZEVKNUMO-KRWDZBQOSA-N 365.499 1.534 0 40 FDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCN(c2ncccn2)C1 79145061 OFDIZOAZKLMQAQ-IRXDYDNUSA-N 355.442 1.348 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCCCC1 89465989 ICIGAWCHCALMFX-OAHLLOKOSA-N 368.455 1.987 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1 89453911 OEXWBWSKCHDTJE-CQSZACIVSA-N 353.421 1.502 0 40 FDAB COCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 21897609 GRISIZHHXBQMBS-UHFFFAOYSA-N 355.316 1.936 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217666862 DEYGVGFPOVSUJK-NWDGAFQWSA-N 372.443 1.289 0 40 FDAB O=C(COc1ccccc1F)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782330 CDKNCTSTTGOJMC-UHFFFAOYSA-N 371.343 1.936 0 40 FDAB CC1CCN([C@@H](CNS(=O)(=O)N2CCOCC2)c2ccccc2)CC1 59932505 PPOHNHMWBFDRMB-SFHVURJKSA-N 367.515 1.626 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)COCCN(c1cccnc1)C2 96239985 RRYBSBINUOVXHS-UHFFFAOYSA-N 353.426 1.631 0 40 FDAB O=C(c1ncccn1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96217817 VJPWWNKHZHIVLS-RDTXWAMCSA-N 354.414 1.533 0 40 FDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CC(=O)NCc3ccccn3)C2)no1 96209238 PNWOXDMLNKMJSE-BEFAXECRSA-N 356.426 1.533 0 40 FDAB CN1CCN(c2ncnc3c2c(C(=O)NC2CC2)c2ccccn23)CC1 96146731 LVJFQVPIQJMPKD-UHFFFAOYSA-N 350.426 1.527 0 40 FDAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(O)cc2)o1 96116372 LOVSBINTRRZZQZ-HNNXBMFYSA-N 359.378 1.740 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)cc1 96100404 CEFCDEYFUMCQAX-VNQPRFMTSA-N 352.456 1.298 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1nc(C)ccc1=O 257322140 WESSRBIUILGFIK-PFRQMTDMSA-N 372.469 1.332 0 40 FDAB CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@@H](CO)C1 257245204 IOMWHPZUOCISBW-OAHLLOKOSA-N 372.421 1.917 0 40 FDAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(CC(N)=O)CCO3 257224852 FDROKFUBIRCACY-URKNILKWSA-N 362.426 1.197 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C3CC3)on1)C2 253381494 DYOZWRYQSVIFBW-LBPRGKRZSA-N 354.428 1.218 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 257270432 MUEVWAYEZWMULS-ZBFHGGJFSA-N 371.437 1.883 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCCN2CCCC2)c1 257272424 NCJFJTZNHYHNCJ-UHFFFAOYSA-N 369.469 1.724 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cc2ccccc2nc1O 257260091 LBHAIPNUGQOGQS-KZNAEPCWSA-N 371.437 1.284 0 40 FDAB COc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 260770666 TUYRWSFYPOUGCD-MRXNPFEDSA-N 370.471 1.537 0 40 FDAB Cn1cnc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)c1 630139659 IGYWEUUVNMQZCA-HNNXBMFYSA-N 356.382 1.752 0 40 FDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)c(=O)nc2O)cc1C 631799089 IOYOUJIEHPFUKY-AWEZNQCLSA-N 363.439 1.629 0 40 FDAB CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)c1 631971533 MVHCXNIJPSQMBT-PHIMTYICSA-N 374.304 1.640 0 40 FDAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2O)[C@@H]1n1cccn1 632377097 SXPXOOWUQCJFDV-SCRDCRAPSA-N 371.846 1.939 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cn(C)nc2-c2cccnc2)C1 643755281 PREXIKPVUWVSDM-LJQANCHMSA-N 357.458 1.287 0 40 FDAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1cc(O)nc2ccc(F)cc12 644071090 VFLZBDIWLXKTEW-JLZZUVOBSA-N 359.401 1.797 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@@]1(C(=O)O)CC1(C)C 663052213 KPYCATNPSOTJLH-ZJNRKIDTSA-N 366.437 1.292 0 40 FDAB CC(C)S(=O)(=O)N1CCN(C(=O)CCCCCn2cccc2)CC1 604418638 PANAGCJXKYMFMW-UHFFFAOYSA-N 355.504 1.931 0 40 FDAB COc1ccc([C@@H]2[C@H](CNC(=O)NCCc3nccn3C)CCN2C)cc1 1775996469 ZRJMYQQKFUPEMV-QFBILLFUSA-N 371.485 1.963 0 40 FDAB CN1c2ccc(NS(=O)(=O)c3cccs3)cc2N(C)S1(=O)=O 390830264 JUVNBUOMGQRQKN-UHFFFAOYSA-N 359.454 1.680 0 40 FDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2s1 390830925 OJYIIOMFHZAZCI-UHFFFAOYSA-N 352.375 1.717 0 40 FDAB Cc1noc(CC(=O)N2CCOC[C@H]2c2nccc(N3CCCCC3)n2)n1 585113160 RAUNDGFLVIYBJB-AWEZNQCLSA-N 372.429 1.301 0 40 FDAB CCOCC(=O)N1CCc2ncc(-c3ccc(NC(C)=O)cc3)n2CC1 585111652 ZISMSLQXAOPBLI-UHFFFAOYSA-N 356.426 1.930 0 40 FDAB COCC(=O)N1CCN(C2CCC2)C[C@](O)(COc2cccc(F)c2)C1 585283170 QNCIBRFCWGUMAL-LJQANCHMSA-N 366.433 1.279 0 40 FDAB O[C@@H]1C[C@@H](c2nnc3n2CCOC3)C[C@@H]1CNc1ccnc(C2CC2)n1 685940918 KHGJVKVVWYKXQK-BFHYXJOUSA-N 356.430 1.442 0 40 FDAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53189311 HQVBFTQCURWPTO-MRXNPFEDSA-N 356.419 1.808 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 57920473 FJMKJACZQZPBFX-MRXNPFEDSA-N 362.474 1.935 0 40 FDAB COc1cccc(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)c1 62720528 YDNPXFFEQBYWIR-UHFFFAOYSA-N 365.187 1.243 0 40 FDAB Cn1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(=O)n(C)c1=O 96747040 YWVTXVZNLPBVKY-UHFFFAOYSA-N 350.378 1.322 0 40 FDAB C[C@@H](c1nc([C@H]2CCS(=O)(=O)C2)no1)n1ccc(C(F)(F)F)n1 632033287 NNNBZGDQUXIZFL-YUMQZZPRSA-N 350.322 1.796 0 40 FDAB Nc1ncccc1C(=O)N1CCOC[C@](O)(COc2ccc(F)cc2)C1 1615143973 VJQIRWZQTPTTSD-SFHVURJKSA-N 361.373 1.085 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 8091989 FPZZNKLDESGGEC-YHYXMXQVSA-N 354.365 1.675 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2)C(=O)O 5431453 LAPLGDSKHNQRAZ-OAHLLOKOSA-N 352.346 1.816 0 40 FDAB C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 5576285 IQJKWWRQXYKKJM-AWEZNQCLSA-N 352.456 1.580 0 40 FDAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CN1Cc2ccccc2C1=O 12141998 QUTVTUHVDCXLAI-CYBMUJFWSA-N 365.389 1.755 0 40 FDAB CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2cncnc2)no1 12530109 ZFMUQVZWTFVROA-GJZGRUSLSA-N 368.372 1.841 0 40 FDAB biogenic,in-vitro Cc1cccc2c3c([nH]c12)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C3 19236575 FKWGULMPFKSXKC-UHFFFAOYSA-N 352.394 1.072 0 40 FDAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccccn1)CC3 19550855 HRHLOQIXWVDWMP-UHFFFAOYSA-N 366.421 1.867 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@H](c3nnc4n3CCNC4)C2)c1 19710965 PTJDAVQHWZJNJH-HNNXBMFYSA-N 355.442 1.339 0 40 FDAB COC1=C(OC)/C(=C/[C@@H]2CCC=C[C@]23OC(=O)C(OC)=C3OC)OC1=O 13398516 ZOUXPJZALDSSRK-FBOSMHBRSA-N 364.350 1.698 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nnnn2Cc2ccco2)cc1 11674393 RDAOHQXQZNGUFS-UHFFFAOYSA-N 373.394 1.832 0 40 FDAB CC(C)(C)C(=O)N1C[C@H]2CN(C3=NS(=O)(=O)c4ccccc43)C[C@@H]2C1 1888856885 UDXBIWNDBIQZIO-CHWSQXEVSA-N 361.467 1.572 0 40 FDAB O=C([C@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCCCC1 1888860522 SCFIVENSBMMKOS-OAHLLOKOSA-N 364.446 1.177 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(c3ccc4nncn4n3)CC2)n1 1888888153 JEIWQTKBYCVVQT-UHFFFAOYSA-N 356.459 1.580 0 40 FDAB CCN(CC)C(=O)CN1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 2037873334 BGCFJFZIDYJOEZ-LMNJBCLMSA-N 373.497 1.559 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614931184 VHBVFUVRBSIXPX-SFHVURJKSA-N 373.844 1.977 0 40 FDAB Cc1noc(C)c1CN1CC[C@H]2[C@H](CC(=O)NCc3ccon3)OC[C@H]2C1 1565553064 ITLCJXPRVUTNSU-KYJSFNMBSA-N 374.441 1.823 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)n[nH]1 1565554694 XIRWCRPPJNBAFP-KGLIPLIRSA-N 366.425 1.414 0 40 FDAB O=C(c1cc(F)ncc1F)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565550315 YOKDOIIVPYVPAT-IRXDYDNUSA-N 374.391 1.870 0 40 FDAB CCc1nnc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)s1 9829363 DGMGRRIBUOQPFZ-UHFFFAOYSA-N 365.444 1.179 0 40 FDAB Cc1ccc(NCCn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10049300 XLSPNWZCGBCJIW-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714520 FOJBSPOFSWZOGC-AWEZNQCLSA-N 362.474 1.661 0 40 FDAB Cc1cccnc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730024 RYGPLUUKAZSKIK-GFCCVEGCSA-N 350.444 1.074 0 40 FDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)/C=C/c1cccs1)C2 2055781444 FNIUHNBJWSXTGC-CHABLROBSA-N 364.467 1.532 0 40 FDAB COc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 225492658 BGNKMOVSGGBZDC-OAHLLOKOSA-N 362.430 1.114 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2C)c(N2CCOCC2)n1 49411109 ZUSQUQFFOUEJIQ-UHFFFAOYSA-N 360.389 1.475 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(N2CCOCC2)n1 49411061 PRPMLQWUINQOAH-UHFFFAOYSA-N 356.426 1.644 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NCCn2ccnc2C2CC2)cc1 225568725 WCUMGIQXIURXJG-UHFFFAOYSA-N 364.427 1.917 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032375 YSEPCNVEUBRNBY-CABCVRRESA-N 368.430 1.010 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1OC 4855323 AGWBATUGDBGPEB-CYBMUJFWSA-N 359.334 1.008 0 40 FDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CSCCC(=O)N3)nc21 77101338 RMKHIFVTDWVOSB-RKDXNWHRSA-N 369.468 1.296 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)N1 40033860 WREKPSOFWZVCBS-UHFFFAOYSA-N 357.341 1.900 0 40 FDAB COc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 6258951 KKDZQXZMHYMBJG-UHFFFAOYSA-N 361.398 1.815 0 40 FDAB COc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccccc4)=NO[C@H]3C2=O)cc1 100354942 OPOZTSJIWVLSJW-WMLDXEAASA-N 350.330 1.822 0 40 FDAB Cc1nc2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2nc1C 32754821 HGSJFXWXUOYWAK-UHFFFAOYSA-N 362.455 1.354 0 40 FDAB O=c1[nH]ncc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1Cl 52358557 OFFDJLQVSQXUGT-UHFFFAOYSA-N 368.846 1.820 0 40 FDAB O=C1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)CCN1 28630194 YMCKGTBQQPCQFW-UHFFFAOYSA-N 356.401 1.852 0 40 FDAB CCCNC(=O)CN1CCN(Cc2nc(-c3ccc(CC)cc3)no2)CC1 23256812 HFWBEWQHMBRGPK-UHFFFAOYSA-N 371.485 1.943 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 23757305 JZPJMAKBDBDAPX-UHFFFAOYSA-N 357.395 1.533 0 40 FDAB COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 23887507 OMPRBAKWHKKAHH-ZDUSSCGKSA-N 358.391 1.365 0 40 FDAB CN(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cn1 24669253 HGVJRDWGUSXLQV-MRXNPFEDSA-N 370.478 1.979 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCCC3)CC2)cc1 25419325 IHMRDCSPBGIAAC-MRXNPFEDSA-N 365.499 1.312 0 40 FDAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 25527661 YEJPYLOSZBVZBD-SFHVURJKSA-N 351.410 1.824 0 40 FDAB C[C@@H]1[C@@H](NC(=O)CSCc2cc(=O)n(C)c(=O)n2C)CCC[C@H]1C 108059196 BWAMBOWAAYNGFE-DYEKYZERSA-N 353.488 1.258 0 40 FDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2ccccc2)CC1 12533734 BMYFNZFNEBHUBM-UHFFFAOYSA-N 364.405 1.852 0 40 FDAB COc1ccc(CN(C)C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1F 57612835 NQSZEMSYRMWWKF-UHFFFAOYSA-N 374.368 1.951 0 40 FDAB CNC(=O)NC(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1 58171114 QQRQGTWUAHNZTP-ZDUSSCGKSA-N 370.247 1.668 0 40 FDAB Cn1c(CSc2nccn2-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 58166683 APXLDUOMNQVXCD-UHFFFAOYSA-N 368.422 1.438 0 40 FDAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 44840039 PQVWXSOUVMEVAF-UONOGXRCSA-N 359.426 1.429 0 40 FDAB CC(C)Cc1noc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)n1 27625695 SMTXZUXAYJWPQG-HNNXBMFYSA-N 350.463 1.775 0 40 FDAB CCN1C[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1=O 58209183 KGIATLPTWLFYOK-STQMWFEESA-N 351.397 1.776 0 40 FDAB CCc1nnc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)s1 12687025 NIBYZGQRSDJAQU-UHFFFAOYSA-N 371.422 1.989 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1 3314777 SBXLIJXIFPVPET-UHFFFAOYSA-N 355.419 1.855 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 3353084 IKRMVJQFMVJZIH-ZDUSSCGKSA-N 367.402 1.202 0 40 FDAB COC(=O)C(C)(C)NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 48250565 HEIGFVPKGHYIAT-UHFFFAOYSA-N 372.443 1.283 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O 12850742 XYQROHNECTUMJU-UHFFFAOYSA-N 362.405 1.908 0 40 FDAB C[C@H](O)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 12824524 LEYFUVPJMSUTQN-GJZGRUSLSA-N 355.442 1.679 0 40 FDAB Cc1c(C(=O)NCC(=O)NC(C)(C)C)sc2nc3n(c(=O)c12)CCC3 16103655 RSMWGHLUAYIFQK-UHFFFAOYSA-N 362.455 1.357 0 40 FDAB CNC(=O)C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 63341304 XTDQSCMGRHVCNR-XUJLQICISA-N 373.453 1.418 0 40 FDAB NC(=O)[C@@H]1CCCN1c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 8135136 WHOIZWFJOCXNAE-NSHDSACASA-N 358.789 1.216 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCOCC1 14137890 LPZUMKZSPKYHHU-UHFFFAOYSA-N 357.336 1.551 0 40 FDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 14850832 KMMLDNLGQIAILD-UHFFFAOYSA-N 369.468 1.497 0 40 FDAB CNC(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 19310527 AKPZNIINCUIPER-QGZVFWFLSA-N 353.378 1.799 0 40 FDAB COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 9724729 CKPQQNTURISBAX-UHFFFAOYSA-N 372.443 1.332 0 40 FDAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cccnc1 9304112 KDJCBIDDOHRIMB-UHFFFAOYSA-N 367.409 1.646 0 40 FDAB CN(C)CCCNC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421550 XBOXJRWLAAVJCW-UHFFFAOYSA-N 365.869 1.291 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@H](NCCCN(C)C)C(=O)O 54173039 YCPSLARSSZYZAJ-ZDUSSCGKSA-N 357.838 1.672 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1nncs1 72326283 SZPAIPKDKKPMDV-LBPRGKRZSA-N 357.395 1.128 0 40 FDAB biogenic O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1O 72401802 NJHUIKYLIWAWLT-UHFFFAOYSA-N 354.410 1.863 0 40 FDAB NC(=O)c1ccncc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 95469194 IURMLWYDAOPQKG-UHFFFAOYSA-N 358.829 1.725 0 40 FDAB O=C(C1CC1)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CCN(CC2CC2)C1 306128739 HJGZUXYQDOULFI-OAQYLSRUSA-N 368.481 1.295 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(CC3CC3)C[C@H]1C2 306137704 RDLXMUNCSMFBQO-SJORKVTESA-N 351.454 1.722 0 40 FDAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)Nc2ccsc2)CC1 30879789 VTZFFHISFWAPEA-FXUDXRNXSA-N 369.487 1.091 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)sc1C 306123567 AQLNCCIVSBQZFZ-GXTWGEPZSA-N 374.528 1.781 0 40 FDAB Cn1c(=O)ccc2ccc(NC(=O)N3CCC(n4cnnc4O)CC3)cc21 518229010 QFULARFHWLQVBX-UHFFFAOYSA-N 368.397 1.705 0 40 FDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945319 GUQRLHKVLSXKHZ-INIZCTEOSA-N 356.426 1.005 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCN1CCc2ccccc2C1 31339191 HXMSEGLDPBOWJC-UHFFFAOYSA-N 373.478 1.431 0 40 FDAB O=C(N[C@H]1CCCS(=O)(=O)C1)C1(Cc2ccc(F)cc2)CCOCC1 559743962 DALSDSHXCGKRRN-INIZCTEOSA-N 369.458 1.858 0 40 FDAB NC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(F)cc1F 30581271 VDGVWCYRVCWCBQ-UHFFFAOYSA-N 370.333 1.636 0 40 FDAB COc1ccccc1OCC(=O)NCC1CCN(c2cnccn2)CC1 70930450 VNFVFEWSOPRQHM-UHFFFAOYSA-N 356.426 1.897 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2=O)c1 225522003 AOBYJDSJUFCDNJ-KGLIPLIRSA-N 368.437 1.753 0 40 FDAB COc1ccc(C(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1 85875286 NHCQDIZLXBKFHF-UHFFFAOYSA-N 351.362 1.404 0 40 FDAB biogenic COCCNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1 225440087 WUUVFXAWGVULHK-UHFFFAOYSA-N 368.481 1.967 0 40 FDAB Nc1cccc(-c2cccc(NC(P(=O)(O)O)P(=O)(O)O)c2)c1 96282152 HQIXHAKEHYPYKV-UHFFFAOYSA-N 358.227 1.987 0 40 FDAB O=c1cc2c(nn1CN1CCn3nc(C(F)(F)F)nc3C1)CCCCC2 96125518 LCNJFNSMZOQQHB-UHFFFAOYSA-N 368.363 1.596 0 40 FDAB COCC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96143247 RXZZBZNVJRTGGS-GOSISDBHSA-N 366.483 1.811 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(c2ncccn2)Cc2ccnn21 247468253 DJIOUPWTMRFLAS-OAHLLOKOSA-N 354.439 1.655 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccno2)n(C)n1 248076015 ZCTYCXWCDWLFOT-AWEZNQCLSA-N 359.430 1.128 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21 247503972 GKOHQBZVRUNCFJ-OAHLLOKOSA-N 352.460 1.206 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)CCO1 257317659 VKQSYGBEOAZVAA-IBGZPJMESA-N 357.385 1.528 0 40 FDAB Cn1[nH]cc2/c(=N\C(=O)CCCc3nc(O)c4ccccc4n3)ccnc1-2 585079634 MEEAPQXBJOXZEN-HAHDFKILSA-N 362.393 1.952 0 40 FDAB Cn1nccc1CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257294067 QSHAOUXYGAPAJT-MRXNPFEDSA-N 369.469 1.667 0 40 FDAB C[C@H]1CNC(=O)[C@]2(CC=CCOc3ccccc3C(=O)N1)CCCNC2 1772770341 JUFKLRPKBOSRQU-MGPUTAFESA-N 357.454 1.630 0 40 FDAB Cc1cccc2c1OC[C@@H](NC(=O)N1CCC(CS(C)(=O)=O)CC1)C2 291835621 GIJBWQVWAQHBDX-INIZCTEOSA-N 366.483 1.765 0 40 FDAB O=S(=O)(N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1)C(F)(F)F 575403839 JYYMOSDKLXPDHL-JTQLQIEISA-N 352.334 1.543 0 40 FDAB CCCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@@H]1C 585096311 HNPNMMXZIJRZPG-ZDUSSCGKSA-N 356.430 1.615 0 40 FDAB CCOCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@H]1C 585096812 BCNSQRCPUZDVNO-CQSZACIVSA-N 371.441 1.077 0 40 FDAB O=C(NCC[C@H]1CCOC12CN(C1CCOCC1)C2)C1CC(F)(F)C1 585103090 PTVQDRZPRQCBFI-AWEZNQCLSA-N 358.429 1.808 0 40 FDAB CCOC(=O)NCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 57201262 NFGXJPGIHTWUJA-AWEZNQCLSA-N 362.430 1.703 0 40 FDAB O=C(NCc1ccccc1F)c1ccc(NCC(=O)N2CCNC2=O)cc1 55868533 ZUCNADMAIHUZKB-UHFFFAOYSA-N 370.384 1.719 0 40 FDAB O=C(CC[C@H]1NC(=O)NC1=O)NCC1CCN(Cc2ccccc2)CC1 67837605 IDXYIRAOKKGTFS-MRXNPFEDSA-N 358.442 1.003 0 40 FDAB Cc1ncsc1CN1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 1615529436 VZMHQYXGUWCIRZ-MLGOLLRUSA-N 359.459 1.371 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3N3CCOCC3)cc2[nH]1 5252684 MWBISHTXNGTMMM-UHFFFAOYSA-N 374.422 1.494 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2=COCCO2)c(C)c1 5894617 GWFJZHHOZFENHE-UHFFFAOYSA-N 362.382 1.098 0 40 FDAB Cc1cc(NC(=O)COc2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 17011554 XWSWPFBYBGCJHV-ZDUSSCGKSA-N 367.402 1.708 0 40 FDAB CCOc1ccc([C@@H](c2nnnn2CCOC)N2CCN(CC)CC2)cc1 19528033 AOENOZGMSKRIHH-SFHVURJKSA-N 374.489 1.445 0 40 FDAB CC(=O)N[C@@]12CCNC[C@@H]1CN(Cc1cc3ccccc3nc1N(C)C)C2 19713637 MKXYWLSHOGYXRJ-WIYYLYMNSA-N 367.497 1.601 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888850056 BMICAAJNAFQCQL-OKILXGFUSA-N 352.442 1.645 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888850079 HABAXVXBVJTYSE-UHFFFAOYSA-N 356.348 1.893 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)nn1 1888901203 ROABSMKUNPGLJZ-AWEZNQCLSA-N 364.409 1.813 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccc2c(c1)OCO2 25862174 FJALJPJQLFXQAQ-GFCCVEGCSA-N 355.394 1.973 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1Cc1cc(=O)n2c(C)csc2n1 31579806 IJJLPSYTGOSUIT-LBPRGKRZSA-N 353.469 1.545 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)nc3ncnn3c2C)C1 32518815 QHVHAUKAENJHQL-AWEZNQCLSA-N 359.430 1.475 0 40 FDAB O=c1ccc(-c2ccccc2)nn1C1CCN(CCn2ccnn2)CC1 1776001518 XPAFCJLOLVRCCL-UHFFFAOYSA-N 350.426 1.839 0 40 FDAB CC(=O)N1CCC(N2CCC(c3cc(O)n4nc(C)cc4n3)CC2)CC1 2037846582 SBEXTVITYMLUDM-UHFFFAOYSA-N 357.458 1.934 0 40 FDAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccsc1 1614929024 BNRRCAJCKBMRGA-INIZCTEOSA-N 368.430 1.601 0 40 FDAB O=C(C1CC(F)(F)C1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 1565549060 OKFBVJXQISVFDR-FPMFFAJLSA-N 358.385 1.592 0 40 FDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 2055750742 VITFUBXYCUWCRG-WMZOPIPTSA-N 372.425 1.882 0 40 FDAB Cc1nc(C(=O)N[C@H]2CCc3onc(C(=O)N4CCCC4)c3C2)cs1 2055739330 RFMZCBLXBNNZLE-NSHDSACASA-N 360.439 1.963 0 40 FDAB CC(C)N(C)C[C@@H]1CCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)CO1 2055835418 BWWRRCTXAZUYBE-INIZCTEOSA-N 374.547 1.549 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CCOCC2)cc1 23106904 AHMFBNOZPJAHOY-LJQANCHMSA-N 373.497 1.933 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](n2ccnn2)C1 585321382 QNQMCGSMVFSDBB-OAHLLOKOSA-N 365.393 1.525 0 40 FDAB Cn1cccc1[C@H](O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 75155132 LNSGTPQOFPUONJ-CYBMUJFWSA-N 364.345 1.936 0 40 FDAB C[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11137732 KGEORHKEZMEBRS-VHSXEESVSA-N 361.366 1.660 0 40 FDAB Cn1c2ccccc2n2c(=O)c(=O)n(CC(=O)c3ccc(F)cc3)nc12 1332616 GCCPRVFYSHWFGT-UHFFFAOYSA-N 352.325 1.370 0 40 FDAB Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 20533634 BMFOKRJMLBLHMB-UHFFFAOYSA-N 374.437 1.496 0 40 FDAB COc1cc(COC[C@H](O)CN2CCSCC2)cc(OC)c1OC 2692782 BRIRCNDSKQFIDU-CQSZACIVSA-N 357.472 1.639 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 3318997 XAXMLDPTLCMCIP-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB COC(=O)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1 4192832 FJLGRNJXHGDVEP-MISXGVKJSA-N 360.288 1.283 0 40 FDAB CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32102078 DEOGHKRSPFNOGH-CQSZACIVSA-N 353.444 1.381 0 40 FDAB COc1ccc(CN(C(=O)C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 6357714 DPSWQWTURISDTB-CQSZACIVSA-N 355.456 1.876 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2)no1 101668409 SFUOSYPGBROQOM-SRVKXCTJSA-N 357.370 1.489 0 40 FDAB O=C(NCc1ccccc1F)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858492 IYHJPPCFRITLIO-UHFFFAOYSA-N 362.382 1.822 0 40 FDAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)C[C@H]1C(=O)OCC 8637779 KRVFDQLWSXYEOD-LVEBTZEWSA-N 372.414 1.497 0 40 FDAB NC(=O)CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCCC1 60725478 TYDKZERQBYBAKA-UHFFFAOYSA-N 356.426 1.502 0 40 FDAB Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C)CC2)cc1 20140677 AGJAYSUNPLPYJB-MSOLQXFVSA-N 356.474 1.497 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100187859 KOSWIMVJIVWSQI-AVRGHOLYSA-N 364.195 1.645 0 40 FDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3cccc(OC)c3)nnc12 1414385 MBZDYMHPLNHXDI-UHFFFAOYSA-N 356.342 1.144 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 56099614 ZYVASZQYHLXEII-AWEZNQCLSA-N 353.492 1.544 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)Nc2cccc(C)n2)c1C 58177968 GEYRPCAXDSWWCM-UHFFFAOYSA-N 358.398 1.880 0 40 FDAB COc1ccc(CCN2CCN(CC(=O)NCc3ccco3)CC2)cc1 58265170 YENVRAAJMYGBQK-UHFFFAOYSA-N 357.454 1.765 0 40 FDAB CCNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2cccs2)CCCCC1 58202845 UJJCSKZGTPQQAX-LBPRGKRZSA-N 351.472 1.822 0 40 FDAB CC[C@@H](C)N(C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 58328460 VYKNPLMVXNWTPV-CYBMUJFWSA-N 356.492 1.789 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)no1 3329498 RYEIYAYTBIWQGN-AWEZNQCLSA-N 367.365 1.566 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)no1 48253703 OYFNTEHKEYGFIU-UHFFFAOYSA-N 368.397 1.256 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1ccccn1 48235137 IZBDLKWEXCKRRA-FQEVSTJZSA-N 364.405 1.481 0 40 FDAB Cn1cc(C(=O)NC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 48333025 ALUMMMICQVZIMA-UHFFFAOYSA-N 365.437 1.865 0 40 FDAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NC(=O)NCc1ccco1 3436301 OVIYQSMRIQCVCO-GQCTYLIASA-N 372.333 1.591 0 40 FDAB COCCn1nc(C(=O)OCc2nnc(-c3cc(C)oc3C)o2)ccc1=O 49604867 QRQIKIYMBYKRDI-UHFFFAOYSA-N 374.353 1.507 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1C 6435678 GXDUWFZZOQJODA-UHFFFAOYSA-N 363.370 1.190 0 40 FDAB CCN(Cn1nc(-c2cccnc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 14250250 LPPVKVZJSDQZHR-CYBMUJFWSA-N 367.500 1.480 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](CC(=O)N3CC(F)(F)C3)C2)no1 306139907 UDQWHZOYUXDCER-AWEZNQCLSA-N 351.357 1.604 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)CC1 6552982 LQOVTEHZWASSFK-IBGZPJMESA-N 357.410 1.475 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCNc1nnnn1-c1ccccc1 15130570 PROOZDSPUOJVJI-UHFFFAOYSA-N 355.402 1.329 0 40 FDAB CC(=O)c1ccc(N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 5939253 GQQWQSYTGXOKPH-RTBURBONSA-N 367.449 1.920 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(C(=O)O)CCCCC1 89818190 ZLAPEFBYNBIBAI-CHWSQXEVSA-N 350.415 1.455 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1 96012075 FIZXSRILVJOXRF-UHFFFAOYSA-N 357.395 1.632 0 40 FDAB CCOCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 9477321 FCQVWPWUJLBMFP-UHFFFAOYSA-N 368.499 1.947 0 40 FDAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c(C)c1C 97012702 SBPUCFGTSLQYNL-INIZCTEOSA-N 365.455 1.808 0 40 FDAB Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1C 95357403 OBRDPRPGRXIHOL-SFHVURJKSA-N 372.513 1.870 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(CCc2nc(-c3ccccc3)no2)CC1 74330845 GQXMOGUWACXTLK-OAHLLOKOSA-N 369.469 1.564 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 407948271 IJFLPTDNWWXARO-GFCCVEGCSA-N 369.443 1.278 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1C[C@H]2OC[C@H](CN3CCCCC3)[C@H]2C1 306125656 CXDLDFFEIQZDBD-BMGDILEWSA-N 368.474 1.947 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](COc3ccccn3)CCN2C)C1 306134931 OBXLODRSMWMLQT-OAHLLOKOSA-N 353.488 1.596 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 35910688 KWQHSPZZIPROAQ-RFGFWPKPSA-N 358.329 1.058 0 40 FDAB COCC(=O)N1CC([C@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306125199 CIYQHIHISNLJEX-QGZVFWFLSA-N 351.406 1.930 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306140430 UTPFEUSVEDVYOT-OAHLLOKOSA-N 364.467 1.414 0 40 FDAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(c2ccccc2OC)CC1 35310992 FGUFDXDLDKDSSR-GOSISDBHSA-N 374.489 1.847 0 40 FDAB O=C(NCc1cccnc1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670606 XEUOHBFJADDXHR-ZDUSSCGKSA-N 353.382 1.180 0 40 FDAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)c1 35025978 PPRFHLVUVGLHSR-SGMGOOAPSA-N 362.304 1.514 0 40 FDAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)c2c1 32093530 ZXEJAUHIEMLPQM-HNNXBMFYSA-N 351.428 1.179 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)CNc2cccc(O)c2)C1 136581286 NIESREDNVAQROX-DAYGRLMNSA-N 355.438 1.446 0 40 FDAB biogenic CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccccc1F 222719637 ZQFARCRWALNJEZ-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB Cc1ccc2nc(=O)c(C(=O)NCc3ccc4c(c3)OCO4)c(O)n2c1 226822203 RQXZDDYOEOGTJA-UHFFFAOYSA-N 353.334 1.367 0 40 FDAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO 223611233 DFYWGAUVHIWBMN-IRXDYDNUSA-N 360.483 1.884 0 40 FDAB COc1ccc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N[C@@H]3C2)cc1 514289162 FPMHRRFSGYKNIU-CABCVRRESA-N 361.423 1.014 0 40 FDAB biogenic,in-vitro Cc1cnc(N2CCc3nc(N4CCCC4)nc(N(C)C)c3CC2)nc1 96254598 NVMQMBWAYDMIGF-UHFFFAOYSA-N 353.474 1.846 0 40 FDAB Cc1ccc(CN2CC[C@@]3(C[C@H](NC(=O)c4cnn(C)c4)CCO3)C2)o1 96205928 UBDNEXSNWGABRS-VQIMIIECSA-N 358.442 1.875 0 40 FDAB O=C(O)[C@@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1 96069073 DQAHWLLXTULHRE-HOTGVXAUSA-N 350.390 1.145 0 40 FDAB O=C(c1ccncc1)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96145678 BQFHGOQEMCAYFG-GJZGRUSLSA-N 373.434 1.426 0 40 FDAB Cn1c(C(=O)NCC(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 96347334 OREWNLNJIWARPE-UHFFFAOYSA-N 360.373 1.799 0 40 FDAB CCCn1nccc1-c1nccnc1[C@H]1CCCN1S(=O)(=O)N(C)C 257282973 OWCJHYVVQGMFOB-CQSZACIVSA-N 364.475 1.693 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2cccc(Cc3cccc(F)c3)n2)CCO1 257317660 VKQSYGBEOAZVAA-LJQANCHMSA-N 357.385 1.528 0 40 FDAB CCN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)CNC(C)=O)CC2)C1 257227854 FRFJTCPHEQTHNT-SFHVURJKSA-N 359.470 1.799 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1nccn1Cc1ccccc1)N(C)C2 644311953 XZNGZWIAPXYWEP-HNNXBMFYSA-N 351.414 1.284 0 40 FDAB O=C(O)COc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 659759081 OUHGVHKDEOGTNZ-AWEZNQCLSA-N 356.382 1.339 0 40 FDAB CCc1nc(CN2CCC[C@@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)no1 660644548 KZYSNNQDZMMJHK-UONOGXRCSA-N 365.478 1.711 0 40 FDAB Cc1nc([C@H]2COCCN2C(=O)N=c2cc[nH]cc2Br)no1 679568441 OSDUIUZIZWRTMB-LLVKDONJSA-N 368.191 1.563 0 40 FDAB CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(=O)n(C3CC3)c1)C2 1775956885 XLJOFXJYEUGPAF-ZTRFORPCSA-N 359.470 1.393 0 40 FDAB CCc1onc(C)c1CN1CCC2(CC1)Cn1nc(C(N)=O)cc1CO2 1775961853 FHVOKOZOXBEWBN-UHFFFAOYSA-N 359.430 1.406 0 40 FDAB CS(=O)(=O)CC1(CNc2ncccc2I)CC1 610915053 DRTRAFOVSAVLNF-UHFFFAOYSA-N 366.224 1.923 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)c2csc(C)n2)C1 623585416 ONMJHLHZQPPCGJ-JQWIXIFHSA-N 360.505 1.483 0 40 FDAB COC(=O)c1ccc(C(=O)NCCn2ccnc2-c2ncccn2)cc1 96099065 YJEAJQPNPKTGBL-UHFFFAOYSA-N 351.366 1.557 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390826238 GAJFMRLYSNTVDQ-LJQANCHMSA-N 372.352 1.680 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@H](CN1CC[C@@H](O)C1)C2 585103789 JXBPTKGFBDNAQR-MOPGFXCFSA-N 373.497 1.479 0 40 FDAB Cc1noc(CC(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@@H]3C2)n1 585108057 ZBNFXXBJEZQPSD-HZPDHXFCSA-N 374.416 1.562 0 40 FDAB Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)o1 585095060 CGGGGWFDDKAENB-CQSZACIVSA-N 365.455 1.601 0 40 FDAB O=C(CCc1cncnc1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108859 YCSHBIUVSWLICM-CMKODMSKSA-N 368.437 1.779 0 40 FDAB CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCCO1 670303330 VWZAZJOWZIIDNC-KKUMJFAQSA-N 370.519 1.984 0 40 FDAB O=C(CCNc1ncccn1)NCCNc1ncccc1C(F)(F)F 56992111 ALSBFPRJCSLFCC-UHFFFAOYSA-N 354.336 1.921 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n1 68525426 KTGLYYOZLRTUTA-ZIAGYGMSSA-N 356.426 1.915 0 40 FDAB CN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(C(N)=O)cc2)C1 67205618 DYKFKMHNLWAMJG-INIZCTEOSA-N 353.422 1.684 0 40 FDAB CN(C(=O)c1c[nH]nc1[C@H]1CCNC1)[C@@H]1CCN(c2ccccc2F)C1=O 662457479 JWVNZXFVKFSRKT-BLLLJJGKSA-N 371.416 1.503 0 40 FDAB O=C(CN1CCN(c2nccc(N3CCCC3)n2)CC1)N1CCCCC1 730106656 NJTQRNRPPONVLQ-UHFFFAOYSA-N 358.490 1.211 0 40 FDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)O 5415784 UVSYGDAIZHLVBZ-CKYFFXLPSA-N 369.830 1.977 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC)C1 12145816 DITSUWNGEQLMRE-AWEZNQCLSA-N 358.442 1.952 0 40 FDAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3cnccn3)n2)cc1 12182867 GTWSQPKCKJCKCJ-ZDUSSCGKSA-N 365.393 1.527 0 40 FDAB CCCCCc1c(O)nc(SCC(=O)NC[C@H]2CCCO2)[nH]c1=O 13739300 WNZASDDOPZXQIO-LLVKDONJSA-N 355.460 1.596 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1 19937293 LMOSOBAKSRMWIY-UHFFFAOYSA-N 356.382 1.351 0 40 FDAB CCOC(=O)c1ccc(-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 2576680 PZUQDLAJIBTTGK-UHFFFAOYSA-N 363.801 1.899 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)nc1 1888850446 SOKGNVDATHPIDE-ACJLOTCBSA-N 355.398 1.602 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1csc(C)n1 21362899 ALFNFVALNCOSMM-UHFFFAOYSA-N 369.468 1.892 0 40 FDAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)c1F 240104247 UNFWYTQCXVIKJH-NSHDSACASA-N 370.406 1.625 0 40 FDAB Cn1ccnc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037841121 WVPPCEMNNBWRAR-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB Cc1cccc(CCC(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 1614932955 CHVQENKAIJVWSM-HXUWFJFHSA-N 367.453 1.712 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCc1ccccc1 4165757 RDDVHAGZLUWHGE-UHFFFAOYSA-N 373.416 1.941 0 40 FDAB aggregator COc1ccc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 5234365 GLWHMVKLSDTUOK-UHFFFAOYSA-N 350.352 1.939 0 40 FDAB CC[C@@H](CO)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 5437618 FKHNCQVNGCJWOR-LBPRGKRZSA-N 374.466 1.753 0 40 FDAB O=S1(=O)CC[C@H](NCCn2cncc2-c2ccc3c(c2)CCCO3)C1 19720005 RFBSMULGJJIUDD-INIZCTEOSA-N 361.467 1.652 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@@H]1C 40073997 HTYFXNDBXJDGFA-MCIONIFRSA-N 370.471 1.855 0 40 FDAB CCOC(=O)c1cnc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)[nH]c1=O 100548223 VOBINPUJPYFQKS-UHFFFAOYSA-N 354.366 1.325 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(CC)nn32)cc1 31815958 XJMVPLORHPFNIN-GFCCVEGCSA-N 357.370 1.539 0 40 FDAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 11665629 PYMUAFIBCZTBIE-PBHICJAKSA-N 357.410 1.715 0 40 FDAB COc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)cc1OC 20856456 FIWCPLDSWSDSIC-UHFFFAOYSA-N 357.370 1.727 0 40 FDAB NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 7580847 RZGQFPGEYYWYNT-UHFFFAOYSA-N 362.769 2.000 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cccc3c2OCCCO3)s1 102142968 BXXZARFNFCQBQA-LRHSVYTJSA-N 359.447 1.822 0 40 FDAB Cc1cccc(OC[C@@]2(CNCc3c(C)noc3C)C[C@H](O)[C@H](O)C2)n1 107430367 JHDDRIIGZMYAIV-IZZQQSIFSA-N 361.442 1.665 0 40 FDAB biogenic,in-vitro CSc1ncccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2661370 SWDCEELOUZAPOM-UHFFFAOYSA-N 351.453 1.423 0 40 FDAB O=C(Nc1ncc2c(n1)CCC1(C2)OCCO1)[C@H]1COc2ccccc2O1 32925867 XTCADPZJTWGFFZ-MRXNPFEDSA-N 369.377 1.487 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1 22191072 XJVOEJXZHBHENG-QGZVFWFLSA-N 355.442 1.604 0 40 FDAB O=C(NC[C@H]1COCCO1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 55847292 JXZLVTBLPQANFS-JTQLQIEISA-N 353.318 1.125 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(Cl)c1 879921 NJHZJWONRAJFTI-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB COc1ccccc1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C 23594926 NTORNIVZLJXPSP-UHFFFAOYSA-N 354.414 1.533 0 40 FDAB C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1nnc2ccccn12 23700348 LRBXUVSTLIVSKG-ZDUSSCGKSA-N 364.409 1.650 0 40 FDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(OC)nc1 23893220 MULMKMRLZKWKGN-UHFFFAOYSA-N 370.409 1.680 0 40 FDAB CCc1nn2c(O)cc([C@@H]3CCN(C(=O)c4ccnn4C)C3)nc2c1C 100147053 KSKNJNSRTUTSLZ-GFCCVEGCSA-N 354.414 1.669 0 40 FDAB C[C@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@@H](C)O1 55289707 KJAYBKFTXZYRGL-ZENOOKHLSA-N 359.467 1.372 0 40 FDAB Cc1nc(COc2ccc(CNC[C@H]3CN(C4CC4)CCO3)cc2)no1 106380194 QXVIOJWZARVPFT-SFHVURJKSA-N 358.442 1.910 0 40 FDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 25194178 VIYXKIMICRQOCF-UHFFFAOYSA-N 354.454 1.477 0 40 FDAB Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cn1 25134758 HOPCKEBFVKIDDN-UHFFFAOYSA-N 353.831 1.752 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2cccnc12 25381333 GLRXQRSXENEBRF-INIZCTEOSA-N 361.467 1.360 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccnc3)C2=O)cc1 24332598 IKVAZNSSPKBUFG-SFHVURJKSA-N 354.366 1.496 0 40 FDAB COc1ccccc1N1CCN(C(=O)COc2c(C)occc2=O)CC1 44890478 GOUGLUQFCNUPME-UHFFFAOYSA-N 358.394 1.684 0 40 FDAB CCOC(=O)[C@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 58208839 NTZHDIYAGQZTHV-UFBFGSQYSA-N 354.350 1.659 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 58400525 KVUMQEXGGKJJJC-CQSZACIVSA-N 361.442 1.564 0 40 FDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCCCC2)c1 3354895 UQJUVLPJMMISLH-UHFFFAOYSA-N 359.831 1.913 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NCc1ccccc1 3318319 FCRLDMMTMUCHRM-HXUWFJFHSA-N 365.389 1.533 0 40 FDAB NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3590459 AVZFAIDZHFPTHG-UHFFFAOYSA-N 351.391 1.611 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1 13002409 FWQNHQCYXWTACC-UHFFFAOYSA-N 370.434 1.509 0 40 FDAB C[C@H](C(=O)NCCC1=CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C 6033810 DWGGLRQYAVMJCD-GFCCVEGCSA-N 359.430 1.001 0 40 FDAB COc1ccc(CCN(C)C(=O)CSc2nncn2C)cc1OC 6063347 BFSBDKSSZJQTHV-UHFFFAOYSA-N 350.444 1.626 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5054346 ZMHYMJMHRUKFOU-GOSISDBHSA-N 372.381 1.920 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3F)nc2n1 5021429 KUGMFOJFFQOCIC-UHFFFAOYSA-N 361.308 1.815 0 40 FDAB CCNC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 8735454 TWMMQNHAOUOWCD-UHFFFAOYSA-N 366.491 1.787 0 40 FDAB CCN(CC)CCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 9184258 WUFXFPLIDYMLTH-INIZCTEOSA-N 360.458 1.057 0 40 FDAB CC/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 6620557 PFBNKLOZYVRYCQ-HDUPEWFZSA-N 357.410 1.698 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 15029709 YELSHGOWKKWNSA-CYBMUJFWSA-N 360.501 1.019 0 40 FDAB CC(=O)N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335782 SQFZMAMXEWIQRD-UHFFFAOYSA-N 359.411 1.095 0 40 FDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1 7360478 WOKKEBZEDZBUPS-UHFFFAOYSA-N 366.400 1.828 0 40 FDAB CS(=O)(=O)CC1(CC(=O)NCC2CCN(c3ccncc3)CC2)CC1 93066055 USESHYASFLHICD-UHFFFAOYSA-N 365.499 1.629 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ncc(C)s2)c(C)o1 96014065 JMBJBPNJTXLMKS-MRVPVSSYSA-N 357.457 1.795 0 40 FDAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC(n3cccn3)CC2)C1 96005401 WBTNVADEGFLFBR-UHFFFAOYSA-N 366.487 1.251 0 40 FDAB CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)s1 93907658 CUWNCTYFSMPOEZ-ZDUSSCGKSA-N 374.528 1.862 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCNc1nc(Cl)nc2[nH]cnc12 9530506 HZARFLWAXBZEBX-UHFFFAOYSA-N 359.777 1.546 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)NC1CCCCCC1 9579403 LWKSNTQUSMUWFD-UHFFFAOYSA-N 357.476 1.493 0 40 FDAB C[C@H]1CN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 78477922 HVLGOXOCPHMYAZ-HLLBOEOZSA-N 372.531 1.444 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCC[C@H]1CO 95452978 VDWJXMMIMCLFGS-GXTWGEPZSA-N 374.890 1.676 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)NC1CCCCC1 544924382 AAELKQFAZUNQPB-UHFFFAOYSA-N 374.846 1.765 0 40 FDAB COCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408625824 XDYXCRFGIZYDIA-UHFFFAOYSA-N 369.270 1.518 0 40 FDAB Cn1ncc(CNC(=O)N2[C@H]3CC[C@H]2c2cnc(C(C)(C)C)nc2C3)n1 527938948 KOHGWEYEELKVFW-WFASDCNBSA-N 355.446 1.874 0 40 FDAB O=C(NCC1CCc2ccccc2CC1)N[C@H]1COC[C@H]1n1ccnn1 527915836 GQVVJWOKSSIOTJ-ZWKOTPCHSA-N 355.442 1.712 0 40 FDAB O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)NCc2ccccn2)C1 540925043 QNXWTJFCAYBRNQ-KRWDZBQOSA-N 359.451 1.806 0 40 FDAB Cc1noc(CNC(=O)CC2(c3oc(C)cc(=O)c3O)CCOCC2)n1 1547138811 SOICBRGXVUEPDW-UHFFFAOYSA-N 363.370 1.100 0 40 FDAB biogenic CC[C@@H](C)N1C(=O)[C@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35375536 ZRSUSFADMZKWGR-DYEYTKNASA-N 355.438 1.842 0 40 FDAB O=C(C1CCC1)N1CCN(Cc2ccccc2)C[C@@](O)(Cn2cncn2)C1 72354478 NUSQEGOEHFSDFW-FQEVSTJZSA-N 369.469 1.154 0 40 FDAB C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCC(N)=O 227159000 VCNQTDUWGXFYBO-VIFPVBQESA-N 367.203 1.004 0 40 FDAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)c1cc(O)nc(C2CC2)n1 572133751 LVPHPUADEPGYNS-NSHDSACASA-N 359.407 1.361 0 40 FDAB COc1cc(C(N)=O)c(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223390823 BWTQFBWFHITJJR-UHFFFAOYSA-N 364.423 1.936 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)CCSC 75157651 RFYWGKNOKANXIT-OAHLLOKOSA-N 360.863 1.907 0 40 FDAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(c1ccncn1)CC2 96086806 DPSKUBJTGAECAD-UHFFFAOYSA-N 354.458 1.999 0 40 FDAB COc1ccc(Cc2n[nH]c(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)n2)cc1 95475234 DVCVSMIIMFZKPJ-AWEZNQCLSA-N 371.441 1.847 0 40 FDAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)[C@@H]2CCOC2)CC3)n1 96075439 XVGMCLRCIDASIN-MRXNPFEDSA-N 357.454 1.910 0 40 FDAB O=C(CC1CC1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 247872524 RKHQLCICKREFSX-AWEZNQCLSA-N 350.440 1.276 0 40 FDAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CNC(C)=O)CCO2)n1 257218042 DBPWXZXYWXXDMU-KRWDZBQOSA-N 372.425 1.643 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1 90746616 FYDKOECPYCESKT-QGZVFWFLSA-N 371.437 1.227 0 40 FDAB O=C(N[C@@H](CO)C(=O)NC[C@@H]1CSc2ccccc21)c1ccc(F)cc1 652374395 QJPMSHFGHGMXIW-CJNGLKHVSA-N 374.437 1.922 0 40 FDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 575404760 OFEBOCVHEGKFNE-OAHLLOKOSA-N 353.357 1.916 0 40 FDAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cccc2c1OCCO2 575607590 IWDPRBZNXMPZNF-UHFFFAOYSA-N 353.378 1.910 0 40 FDAB Cc1cnc(OC[C@H]2CCn3nccc3CN2CC2=CCCOC2)nc1 585098082 TYCOIBPKVURJBY-GOSISDBHSA-N 355.442 1.982 0 40 FDAB COCC1(C2CCC2)CN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)C1 664834261 VREIFBHXDNVQHO-DZGCQCFKSA-N 373.519 1.162 0 40 FDAB O=C(CCc1cccnc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585274013 YHVNJRXJBDLUPK-FQEVSTJZSA-N 358.413 1.986 0 40 FDAB CCc1cc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)nc(C)n1 685940717 GCVPMGHEJZBHAA-GZBFAFLISA-N 358.446 1.436 0 40 FDAB O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 62580456 VRCDNZOEYAEMQL-GXFFZTMASA-N 357.815 1.423 0 40 FDAB Cc1cccnc1CN1C[C@@H]2OCCS(=O)(=O)N(CC(C)C)[C@@H]2C1 1534645821 IOWAMLPFJZDPGV-SJORKVTESA-N 353.488 1.261 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCc3ccccc3C2)cc1 5527047 WPSSYLHZNIYQBY-UHFFFAOYSA-N 360.435 1.558 0 40 FDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2CCc1ccccc1 12145953 RIBCYZQUOFKFPK-UHFFFAOYSA-N 360.377 1.523 0 40 FDAB O=C(COC[C@@H]1CCCO1)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253889 CLMDEAXSOUJAMV-KRWDZBQOSA-N 373.453 1.585 0 40 FDAB NC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15013166 DHJAMYKQLPFWRU-CXUHLZMHSA-N 369.352 1.783 0 40 FDAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCC2)C3)C1 19079431 FSIZJCAMKKZQAE-ZBFHGGJFSA-N 371.485 1.181 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CNC3=O)C2)cc1F 19559629 LPWMRLKSXFLRTJ-INIZCTEOSA-N 354.403 1.639 0 40 FDAB CCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC[C@H]2CCCO2)c1 19746341 AVNOKGKHKXUXKE-CYBMUJFWSA-N 361.402 1.289 0 40 FDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NC1CC1 19935186 UZACXRAUXVWJRC-UHFFFAOYSA-N 358.847 1.782 0 40 FDAB O=S(=O)(c1ccccn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 562716716 GYQSAGPJHYLLOF-OAHLLOKOSA-N 374.466 1.919 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC3CC3)ccc2N1 5252846 QDPMNBUJLSUDQE-UHFFFAOYSA-N 371.418 1.874 0 40 FDAB COc1cccc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)c1 1888913922 SCECMEOVITWREE-HUUCEWRRSA-N 364.409 1.341 0 40 FDAB Cc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)cc(-n2cccn2)n1 1889130537 BISKEENQKDEFNT-UHFFFAOYSA-N 369.473 1.105 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](N(C)c3ncc(C)cn3)C2)CC1 1889138862 LTVJFRBINPYVEK-KRWDZBQOSA-N 359.474 1.471 0 40 FDAB Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)OCO4)NCC2=O)cc1 32632804 GCZTZZCPGSESNK-UHFFFAOYSA-N 352.350 1.612 0 40 FDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 4519148 XAJALPGBXXIGLL-ZDUSSCGKSA-N 370.814 1.310 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2S1(=O)=O 4940790 MWRUTLYBLSMQIO-SNVBAGLBSA-N 374.374 1.587 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)COc2ccccc2)CC1 2055746257 GNOZBOFRFMPTNS-UHFFFAOYSA-N 371.441 1.018 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cccc(C)c2)CC1 2055773022 LDTGKMLCSNGOIA-UHFFFAOYSA-N 370.453 1.586 0 40 FDAB COc1cnc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)nc1 2055747298 XJGNDJGGYYBVIQ-QDMKHBRRSA-N 353.382 1.227 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)nc2)c1 30299536 XBIBAGBIQVJNKU-UHFFFAOYSA-N 374.466 1.520 0 40 FDAB CCOc1ccc(-c2noc(CCC(=O)Nn3cnnc3S)n2)cc1 30564160 QEFCUMZKYFTHHS-UHFFFAOYSA-N 360.399 1.718 0 40 FDAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)C(C)C)c1 7389092 JJNQUOSHPRAXFC-UHFFFAOYSA-N 365.455 1.779 0 40 FDAB CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)CN2CCN(c3ccccc3)CC2)C1=O 60358236 MEANVTUQMIYMSX-FXAWDEMLSA-N 374.485 1.136 0 40 FDAB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102436426 PNUMYDMTEJXDMH-GJZGRUSLSA-N 372.421 1.960 0 40 FDAB COc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C 17325383 SFSBBVIHGWCRLR-VXGBXAGGSA-N 356.444 1.195 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58190782 PNOUKBZJHBCKRQ-WSKFYRRCSA-N 357.428 1.967 0 40 FDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCCN2CCCCC2)C1=O 20265737 LMBJOHHPLMIKKW-CCEZHUSRSA-N 350.463 1.605 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22882386 SZHDZASIEVTVCL-UHFFFAOYSA-N 369.462 1.704 0 40 FDAB O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 104908908 WUYCYZGLCRXOBJ-SFHVURJKSA-N 374.462 1.560 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 24243062 JIPDRWZFDOKKJN-ZDUSSCGKSA-N 373.432 1.660 0 40 FDAB O=C(NCCOc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CN1 24746100 WVDCGPZTAHBXMW-UHFFFAOYSA-N 356.357 1.271 0 40 FDAB CN1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2cccs2)CC1 25326023 FSOZCWUBCDJCSV-NTCAYCPXSA-N 356.451 1.688 0 40 FDAB Cn1c(N)c(C(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O 3256465 WGFSGTIYLNGMJO-UHFFFAOYSA-N 351.362 1.690 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N1CCN(CC(=O)NC2CC2)CC1 35336554 FNGFNTOWBQFPPU-UHFFFAOYSA-N 354.454 1.373 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3246898 BOEZWURZTCJPAE-KRXBUXKQSA-N 368.345 1.709 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(N)=O)cc1OCC 58172867 IMPOVQVDOMCTBY-CYBMUJFWSA-N 370.471 1.903 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1nccnc1N 10141089 MAMVCOTXKJCGEO-UHFFFAOYSA-N 366.381 1.657 0 40 FDAB C[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)n1ccnc1 58292246 LMJXPKUNUPOMJQ-LLVKDONJSA-N 352.391 1.762 0 40 FDAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12753746 JISVTTXEOXYEHA-UHFFFAOYSA-N 368.349 1.610 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(OC)nc3)ccc21 10991076 AXPOPHDGMZCJGL-UHFFFAOYSA-N 354.366 1.043 0 40 FDAB CC(C)(CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)N1CCOCC1 48290479 GTARHJJZOZPMSM-INIZCTEOSA-N 359.470 1.805 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(-n2cnnn2)cc1 3426068 GWMOVUUQFTUVPK-UHFFFAOYSA-N 363.333 1.115 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1sccc1C)C1=C(COC1=O)N2 4495979 KBZLTBGRBPMXEO-NSHDSACASA-N 359.407 1.685 0 40 FDAB Nc1nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)ncc1C(=O)O 4414286 ZPJBPVFZCWBWLS-UHFFFAOYSA-N 362.455 1.934 0 40 FDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)c2ccccc21 8995007 OQVBKAYHBOZSAL-HNNXBMFYSA-N 350.330 1.550 0 40 FDAB Cc1ccccc1CNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 9157474 YZHYNCNYJDYPNX-UHFFFAOYSA-N 359.451 1.321 0 40 FDAB Cc1ccccc1[C@H](OC[C@H](O)CN(CCO)CCO)c1ccccc1 9218193 IQXJESSNJFFGID-TZIWHRDSSA-N 359.466 1.749 0 40 FDAB NC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc32)sc2c1CCC2 7983162 LBMAESFUVWSJPF-UHFFFAOYSA-N 371.418 1.700 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(c2ccccn2)CC1 9418760 WUBHDHBPYCVUGN-UHFFFAOYSA-N 365.389 1.916 0 40 FDAB biogenic Cn1ncc2c(N3CCN(C(=O)CCc4cccnc4)CC3)ncnc21 23462783 YMPFKFMBMAYLGK-UHFFFAOYSA-N 351.414 1.040 0 40 FDAB CCOC(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1F 72074331 CWNGGELRZNQCFV-UHFFFAOYSA-N 354.197 1.772 0 40 FDAB C[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1 83967042 NCKZOGRHSOSJQA-HIFRSBDPSA-N 364.877 1.197 0 40 FDAB C[C@@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1 72293077 QKRIOGVCWSFICW-DNVCBOLYSA-N 369.506 1.908 0 40 FDAB C[C@H](C(N)=O)N1CCN(C(=O)c2ccccc2OCc2cccnc2)CC1 95399741 VIZNAKQJUFFPIO-OAHLLOKOSA-N 368.437 1.292 0 40 FDAB COC[C@H](C)Nc1nc(N[C@H](C)COC)nc(OCC(F)(F)F)n1 95431445 NCEACDSVHNYPFV-DTORHVGOSA-N 353.345 1.706 0 40 FDAB NC(=O)Cc1ccc(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 85877575 AHSCPFJTOKRTJP-KRWDZBQOSA-N 369.396 1.636 0 40 FDAB CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)N1CCOCC1 75109133 XPPAWRXLUGAODK-MRXNPFEDSA-N 363.414 1.463 0 40 FDAB O=C1CN(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 36589725 QLUNGTBPJNIRTO-MSOLQXFVSA-N 374.437 1.840 0 40 FDAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704544 PHVZBOCJYDEPCT-NWDGAFQWSA-N 356.444 1.527 0 40 FDAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(C)=O)ccc3n2C)c1OC 36369817 KBMUJQFDIUBIBI-UHFFFAOYSA-N 355.398 1.905 0 40 FDAB biogenic COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1C 79491654 NAASZDUOGCINDT-UHFFFAOYSA-N 350.404 1.523 0 40 FDAB CS(=O)(=O)c1ccc(Oc2cccc(C(N)=O)c2)c(S(C)(=O)=O)c1 40154875 HBPFRZLGQQJBFN-UHFFFAOYSA-N 369.420 1.385 0 40 FDAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 329155141 UZWXGXYDPRJBJA-KRWDZBQOSA-N 366.425 1.831 0 40 FDAB c1ccc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96049842 COIGFXHPIHWYSW-FQEVSTJZSA-N 354.454 1.580 0 40 FDAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 332048011 LEOJOKCWBGXYBX-HOTGVXAUSA-N 361.490 1.787 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2cccs2)C[C@]2(CNC(=O)C2)C1 96036017 UVCSFIRHEVDJNL-KRWDZBQOSA-N 364.471 1.130 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]3C2)c1 96094162 KZRWUOWVGAVUSG-GJZGRUSLSA-N 372.856 1.847 0 40 FDAB Cc1ccc(CN2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)s1 96230526 YJEQRRAVPBNKHQ-SFHVURJKSA-N 359.499 1.713 0 40 FDAB CN(C)Cc1ccc(N2CCN(C(=O)CCc3ccn(C)n3)CC2)nc1 585085658 NGTOXMKJUCWZML-UHFFFAOYSA-N 356.474 1.158 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257266253 MCEFLEIMBCZWPF-MRXNPFEDSA-N 356.430 1.408 0 40 FDAB CCCCc1nc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c[nH]1 257237478 HGQLWPBPTSDYBL-GFCCVEGCSA-N 351.476 1.868 0 40 FDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2S(=O)(=O)N(C)C 257223746 DYQUDDBGFWKRGF-BZSNNMDCSA-N 365.499 1.662 0 40 FDAB CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)c1ccccc1F 257339464 ZBVWFASCGHPMEU-IBGZPJMESA-N 358.417 1.651 0 40 FDAB O=C1CC[C@@H]2CN(C(=O)[C@]34CCC(=O)N3c3ccccc3S4)CC[C@@H]2N1 618214509 DOFCOBIFUSNWKU-QHRIQVFBSA-N 371.462 1.743 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc2nnnc(O)c2c1 604418985 CHFXGZOJGHVUNQ-NSHDSACASA-N 353.338 1.692 0 40 FDAB C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](O)c1ccccc1F 1137285580 YEUIGYILVUGMMX-IUIKQTSFSA-N 352.406 1.031 0 40 FDAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 684404796 HXHPIUKNRGLSSO-QZTJIDSGSA-N 373.453 1.162 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1nc(OC)ncc1Cl 1775956974 JPWZDFVHGHASTC-WPRPVWTQSA-N 354.798 1.422 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@H]2OCC[C@@H]21 585109305 IEVUQICQQJJYOI-YQQAZPJKSA-N 370.409 1.232 0 40 FDAB CCN1CCN(C(=O)NCC[C@H](CCO)c2cccs2)C(=O)C1=O 828741559 DHALJHXPZPCWNK-GFCCVEGCSA-N 353.444 1.005 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1Cl 49490229 JZVPHACHFBLEKO-LLVKDONJSA-N 351.756 1.737 0 40 FDAB CC(C)(C)OC(=O)N1[C@@H](C(=O)OCc2ccccc2)COS1(=O)=O 98091302 VUNBZHYPHYZUEV-GFCCVEGCSA-N 357.384 1.611 0 40 FDAB NC(=O)c1cc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F 671456482 MGSBWHYWWKYDRM-APHBMKBZSA-N 365.405 1.708 0 40 FDAB CCc1oc(C(=O)O)cc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 1610075943 AQHQHOIORNAGJT-UHFFFAOYSA-N 368.415 1.217 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1 5513349 PEUIEUUMMDWYGP-UHFFFAOYSA-N 365.407 1.979 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495708 ISDWVUPBHPGSMC-NRTGNBEESA-N 370.430 1.692 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 12903940 ULYHQSBUACESNR-KBPBESRZSA-N 370.471 1.390 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c(=O)nc(C)[nH]c32)cc1 19286502 HAXJYDOZNARWBI-CYBMUJFWSA-N 368.397 1.136 0 40 FDAB 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353.488 1.495 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@H]1CCOc2ccccc21 103363260 BBVCSJBDOMPUQI-LZWOXQAQSA-N 354.406 1.968 0 40 FDAB C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 24681999 DIVONQPFHVGPRR-JTQLQIEISA-N 353.271 1.992 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccccc2)CC1 24991819 PSPXJMMWVQPAQM-CYBMUJFWSA-N 355.446 1.039 0 40 FDAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(C)(=O)=O)CC1 25700489 LQTDXMHGWIQVCD-OAHLLOKOSA-N 356.488 1.127 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(-n2cncn2)c(F)c1 56085447 QPKFIJPKHQLIQP-UHFFFAOYSA-N 364.344 1.563 0 40 FDAB O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 44578613 IAPUYGCNHKSABC-NVXWUHKLSA-N 372.446 1.917 0 40 FDAB O=C(Cc1nc2ncccn2n1)NCCNc1ncc(Cl)cc1Cl 58224974 UWODHDYVFHSKOE-UHFFFAOYSA-N 366.212 1.597 0 40 FDAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCOCC1 3295898 NVPISDGMMRPEIA-UHFFFAOYSA-N 372.446 1.910 0 40 FDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 11010747 LEUIFBBRGBDQAP-RISCZKNCSA-N 351.424 1.480 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CN1CCN(c2ccc(CN=c3ccc(-c4ccnn4C)n[nH]3)cn2)CC1 641275555 SSCCUENRYQNTDT-UHFFFAOYSA-N 364.457 1.058 0 40 FDAB Cc1nc2ccnn2cc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643887698 WQGPVTRNVKGPAO-OAHLLOKOSA-N 351.414 1.871 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1 644003529 LSFVHZOPYLVBSH-QGZVFWFLSA-N 352.381 1.615 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)N1Cc3ccccc3OC(C)(C)C1)N(C)C2 644465419 HXRAYPCLQFLZRB-HNNXBMFYSA-N 355.442 1.600 0 40 FDAB NS(=O)(=O)N1CCC(Nc2ncnc3sc4c(c23)CCC4)CC1 1612661361 BNMMMLLHIYPHPD-UHFFFAOYSA-N 353.473 1.260 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc(C2CC2)c1 656857667 OCZYXEVZRNBYAN-KBXCAEBGSA-N 353.426 1.925 0 40 FDAB Cc1cc(C)n(CC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 671515086 HXQKGKSZTHLVRN-QFBILLFUSA-N 358.490 1.775 0 40 FDAB Cc1nnsc1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 390830333 KFXAZRRYDWNCTQ-UHFFFAOYSA-N 356.411 1.429 0 40 FDAB Cc1noc(CC(=O)N2CCN3C[C@@H](OCc4ccccc4F)C[C@@H]3C2)n1 585108055 ZBNFXXBJEZQPSD-CVEARBPZSA-N 374.416 1.562 0 40 FDAB CCOc1ccc(CN2C[C@H](CC(=O)N(C)C)[C@@H](OC)C2)cc1CO 585278673 QGNXKYFQJVDXSJ-YJBOKZPZSA-N 350.459 1.503 0 40 FDAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CNCCO2)ccc1Cl 585271994 ICLIDOIFMIQXEX-SFHVURJKSA-N 368.861 1.635 0 40 FDAB Cc1cnn(CC(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1 56642747 WKSQZSNLOVPSLY-UHFFFAOYSA-N 354.454 1.840 0 40 FDAB CNc1c(Cl)ncnc1NCCCN1CCN(c2ncccn2)CC1 95945036 JXZJIKRLLTUAJS-UHFFFAOYSA-N 362.869 1.586 0 40 FDAB COc1ccc(-c2noc(N3CCN([C@@H]4CCNC(=O)CC4)CC3)n2)cc1 576912311 NZSBWRFSMAASBO-HNNXBMFYSA-N 371.441 1.536 0 40 FDAB Cc1cc(C)n([C@@H](C)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 12187951 WOGIDXONWFDSGT-LBPRGKRZSA-N 364.427 1.370 0 40 FDAB O=C(CCn1cncn1)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668701 AZWCSGUSTDVWNJ-UHFFFAOYSA-N 353.386 1.519 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCC3(N4CCOCC4)CCCCC3)nc2n1 14121243 VDVNTBPWGRYWST-UHFFFAOYSA-N 372.473 1.506 0 40 FDAB C[C@@H](NC(=O)/C=C\c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 17128026 IALVRPKNGOHYGE-HDVYCRDBSA-N 355.394 1.010 0 40 FDAB CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccccc1 16839442 IUUTWUNNNFNDRB-UHFFFAOYSA-N 355.398 1.518 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)C2CC2)C[C@@H]1c1ccnc(N2CCCCC2)n1 19581317 ZZVFWFIABZXZKB-HOTGVXAUSA-N 371.485 1.507 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4469096 AFZRCGHNVMFYIA-ZETCQYMHSA-N 366.468 1.800 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C)C3)CC2)cc1 11230258 MYTJJXWNOQDQIE-OAHLLOKOSA-N 366.483 1.643 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)nc(O)c1F 1888834784 ULIFXRVWZUTKNV-XQQFMLRXSA-N 350.394 1.093 0 40 FDAB COc1nccnc1N(C)CC1CCN(Cc2nnc3n2CCC3)CC1 1888843785 PXTRRUYXUSFPBC-UHFFFAOYSA-N 357.462 1.371 0 40 FDAB Cc1cc(C)c2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)sc2c1 1889139163 RWMLWSAGEWTDEZ-AWEZNQCLSA-N 361.467 1.977 0 40 FDAB Cc1nc2c(c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)n1)CCC2 1889149155 MLFKNWZCMHXUTA-UHFFFAOYSA-N 362.441 1.576 0 40 FDAB CN(C)C(=O)Cn1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889186328 OOPFAHRQFCXZSN-CYBMUJFWSA-N 359.455 1.171 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 1615101673 GUPRNKZVFLHSKG-PKOBYXMFSA-N 374.416 1.437 0 40 FDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)Cc4ccc(F)cn4)C3)C2)cn1 1565553317 UBNQCESIPUMTNW-UHFFFAOYSA-N 371.416 1.308 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551443 FJZHHVJBAIYIRV-APWZRJJASA-N 371.416 1.815 0 40 FDAB CC(=O)[C@H](Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)N(C)C 4142466 FSIFJWLEOJOTCN-ZDUSSCGKSA-N 374.401 1.488 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2[C@H]1C 8704246 CPUJCYRYZWXULH-JTQLQIEISA-N 372.816 1.961 0 40 FDAB COc1cc([C@H]2ON=C(CN3CCOCC3)[C@@H]2C)c(OC)c2c1OCO2 15085699 PPQZOQYNQLDIDU-NHYWBVRUSA-N 364.398 1.828 0 40 FDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@@H]21 2055750970 SRTOWDNECYBVDT-ROUUACIJSA-N 358.442 1.664 0 40 FDAB CC(C)n1nc(N2CCN(c3ncnc4c3ccn4C)CC2)ccc1=O 2298049110 NVNNYCWEBDGWNY-UHFFFAOYSA-N 353.430 1.433 0 40 FDAB C[C@@H](NC(=O)C(=O)NC[C@H](O)c1ccc2c(c1)CCN2C)c1ccccc1 96362885 FPFGVMRKZRXDOW-KUHUBIRLSA-N 367.449 1.706 0 40 FDAB O=C(c1csc(-c2ccco2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40052311 XCAPRRZCVSIOCY-CQSZACIVSA-N 361.423 1.867 0 40 FDAB CCCC(=O)N1CCC[C@@H]1C(=O)OCc1cc(=O)n2c(C)csc2n1 40157159 BNNVWMMUHCBHJI-CYBMUJFWSA-N 363.439 1.899 0 40 FDAB Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1 3266209 WHZKHOMOLMZZCP-UHFFFAOYSA-N 353.835 1.263 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccsc1 107838464 GWLPVDHIZACNEG-WVZRYYJFSA-N 354.424 1.914 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F 32776184 JYQWYJKCTGNWCI-SMDDNHRTSA-N 372.418 1.428 0 40 FDAB CCc1nnc(CSc2nnc(SCC(=O)N(CC)CC)n2N)o1 29876116 JULNTFJKLHVOEL-UHFFFAOYSA-N 371.492 1.190 0 40 FDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Sc1n[nH]c(=O)[nH]c1=O 103156426 UXEDYYWVDVLBNH-WRWGMCAJSA-N 355.460 1.943 0 40 FDAB NC(=O)C1(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)CCOCC1 52743874 XPRYPCQIBKZICU-UHFFFAOYSA-N 368.437 1.373 0 40 FDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1 47465626 IMSSLFOESARBFE-SFHVURJKSA-N 353.426 1.618 0 40 FDAB COC(=O)c1sc(S(=O)(=O)N2CCCCC2)c(C(=O)OC)c1C 730165 FCRPXYIROLAYOA-UHFFFAOYSA-N 361.441 1.804 0 40 FDAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 22799533 NJMFGWKLJCKFQD-MRXNPFEDSA-N 368.481 1.979 0 40 FDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1c(F)cccc1Cl 47636321 VKNKQMHECSDTAH-IUODEOHRSA-N 356.825 1.946 0 40 FDAB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)NC(=O)Nc1ccccc1 54991630 ZHORWJDDRQPSSV-LBPRGKRZSA-N 372.347 1.478 0 40 FDAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2COCCO2)CC1 25008738 HSGPRVMLEDOFEV-AWEZNQCLSA-N 373.236 1.693 0 40 FDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2)c1 44917934 QKGOLBFROIQVDN-UHFFFAOYSA-N 362.389 1.906 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 58343200 QJXOSARSVSGPQX-OAHLLOKOSA-N 361.442 1.142 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)NCc1cccnc1-n1cccn1 48235860 VBPCHFZXVZKZNZ-UHFFFAOYSA-N 374.408 1.847 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 12818329 ZGUVALAIYMNMCN-DZGCQCFKSA-N 353.440 1.576 0 40 FDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 12897504 BOBPFIWMTUUKJH-GFCCVEGCSA-N 374.484 1.138 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5054654 YTKWCHZXSBADGB-MRXNPFEDSA-N 360.326 1.004 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cc1OC 5008412 YRWNTYFTANXYCN-LLVKDONJSA-N 368.411 1.280 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 4328718 MDSYLTLHJSAGRT-INIZCTEOSA-N 364.357 1.917 0 40 FDAB Cc1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)s2)c(C)c1 14094878 SZVCZNMMPAKRKC-UHFFFAOYSA-N 354.453 1.708 0 40 FDAB CCOC(=O)CN(C(=O)COC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1 14113095 WMKXSRRDWFCRJX-UHFFFAOYSA-N 372.377 1.970 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 6638145 INKJHXZPHFKRJT-INIZCTEOSA-N 371.345 1.795 0 40 FDAB Cc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2c(C)c(O)ccc12 6623823 BPTPNKQCRIDLKC-UHFFFAOYSA-N 372.421 1.787 0 40 FDAB biogenic CCOC(=O)N1CCC(NC(=O)COCC(=O)NC2CCCCC2)CC1 4702676 BVPCFIQOFURHJK-UHFFFAOYSA-N 369.462 1.189 0 40 FDAB O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 8764347 GHIXAQUIRUXLLZ-AWEZNQCLSA-N 366.425 1.634 0 40 FDAB biogenic COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cn1 29508881 WGJBLXXBVNCXKP-SFHVURJKSA-N 354.366 1.496 0 40 FDAB CCCC(=O)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306134474 NOVKZSXYMSKVSF-OAHLLOKOSA-N 352.456 1.414 0 40 FDAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1nnc2ccccn12 7898685 ONIIEHQVJBIPDO-CYBMUJFWSA-N 353.407 1.849 0 40 FDAB COc1ccc2nnc(CCC(=O)NCc3nc4ccccc4n3C)n2n1 79494560 JMYQYYHJEQAPIX-UHFFFAOYSA-N 365.397 1.269 0 40 FDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccncc1 79494657 KWTUUFIVHQVUPN-UHFFFAOYSA-N 353.426 1.548 0 40 FDAB CC(=O)Nc1nc2c(s1)COCC21CCN(S(=O)(=O)C2CC2)CC1 306130367 JDXAFDNSCQUHOT-UHFFFAOYSA-N 371.484 1.458 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)NCC(C)C 408594306 PSLWZWOWERCKJI-CQSZACIVSA-N 354.472 1.838 0 40 FDAB CSC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 11865665 RLXRYADEZRLRMH-LLVKDONJSA-N 365.407 1.590 0 40 FDAB biogenic O=C1CS(=O)(=O)[C@]2(C(=O)Nc3ccccc32)N1c1cccc(Cl)c1 8597468 LLCSTVONWATIBS-MRXNPFEDSA-N 362.794 1.907 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccnc(Nc2nccs2)n1 72377836 SSQNINOMTYSOTB-LLVKDONJSA-N 354.461 1.620 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225515156 VMPWVSHJCQKQGX-CHWSQXEVSA-N 354.410 1.445 0 40 FDAB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225151629 HBQPOGVNWJPBQP-CQSZACIVSA-N 372.487 1.781 0 40 FDAB COCCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 46810746 DISHTMHQMHFACX-UHFFFAOYSA-N 364.442 1.709 0 40 FDAB COc1ccc(OCc2cn(CC(=O)NCc3cc(C)nn3C)nn2)cc1 227168147 FOKHXDOUEZFKDX-UHFFFAOYSA-N 370.413 1.224 0 40 FDAB O=C(CN1CC(c2nc(C3CC3)no2)C1)NCc1ccc2c(c1)OCO2 75156387 MAHIEQCZWKJWQU-UHFFFAOYSA-N 356.382 1.391 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 40266556 HFJXBUUTXLNGFC-UHFFFAOYSA-N 363.377 1.301 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107570 SNMWYTHSVKIARP-KSSFIOAISA-N 358.373 1.853 0 40 FDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2n(C)c1=O 95473337 QTYCHDRFZGOUGQ-ZDUSSCGKSA-N 371.393 1.979 0 40 FDAB COCC(=O)N1CCC2(CC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 96051672 PBRLEIWPXZVIIA-HNNXBMFYSA-N 352.456 1.383 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96219367 JPQHSHSMVWSEBF-YJBOKZPZSA-N 374.466 1.819 0 40 FDAB O=C(N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)c1cccnc1 96206200 WOETXFVQSVKVEG-UYAOXDASSA-N 359.470 1.862 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96043107 BNDOLAZRXDDEEZ-YESZJQIVSA-N 353.426 1.214 0 40 FDAB Cc1ccccc1C(=O)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240966 UUYRXFQYWMMPLW-SFHVURJKSA-N 372.465 1.723 0 40 FDAB Cc1nc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c2cnn(C)c2n1 583615120 DZKUGNPPDCHJEM-KRWDZBQOSA-N 356.434 1.332 0 40 FDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CCN(C)C)C2)c1 248126764 OWZSYUDSDXQRBB-MRXNPFEDSA-N 362.499 1.964 0 40 FDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2NC1=O 257173508 PGSZLSQPQDXONP-INIZCTEOSA-N 367.471 1.512 0 40 FDAB O=C(NCCCc1cnoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 253399677 JTWTVJJRZAAYDX-UHFFFAOYSA-N 363.439 1.822 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cnc4ncccn34)n2)C1 257321455 WBSSCLIXYHJPSJ-LBPRGKRZSA-N 358.427 1.325 0 40 FDAB Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)n[nH]1 275592053 KHYFCHIRYGIAPF-MLGOLLRUSA-N 373.461 1.288 0 40 FDAB Cn1nccc1[C@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCO1 1262292384 VPOSWEPNYIDULT-DZGCQCFKSA-N 360.418 1.259 0 40 FDAB CSCC[C@H](NC(=O)C(=O)NCC1=CCCC1)c1nnc2ccccn12 597167944 MAPCPOIDEVQAOH-AWEZNQCLSA-N 373.482 1.866 0 40 FDAB CO[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C1CCCC1 656967057 GAVWKZAIQBISOP-GDBMZVCRSA-N 362.536 1.298 0 40 FDAB CCS(=O)(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@@H]1C 585096393 LPLBBXBMFBAYBD-NSHDSACASA-N 368.484 1.601 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)Nc3ccccc3C)CC2)C1=O 824411978 WPCNMJVNOPULIO-UHFFFAOYSA-N 374.441 1.902 0 40 FDAB CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(Cc3cc4c(F)cccc4[nH]3)C2)C1 685940660 FGXGBDCYELGBHD-GFCCVEGCSA-N 358.417 1.428 0 40 FDAB CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)c1cccc(S(N)(=O)=O)c1 97001465 KCTJOWIJOGJABI-GOEBONIOSA-N 370.471 1.487 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3cccnc3)C[C@H]12 1549162950 YRFPNNMVIZDKTH-KRWDZBQOSA-N 370.453 1.489 0 40 FDAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)n1 8053813 KPCOWBROKRSXJK-CSKARUKUSA-N 354.395 1.997 0 40 FDAB CC1=NN(Cc2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148005 QEWCMEXCPKPLJS-ZDUSSCGKSA-N 366.425 1.699 0 40 FDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cnn2cccnc12 12366127 DXDSMZZGCLOWGJ-HNNXBMFYSA-N 351.410 1.694 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3sccc3c2=O)cc1 16594478 GRXACWFOMCYPNL-UHFFFAOYSA-N 370.434 1.864 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 19373680 ACFFWNZFGVBOQC-HNNXBMFYSA-N 372.406 1.894 0 40 FDAB COCCN1CC[C@H](CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1 19577621 OBDQEQAVULFXEX-GFCCVEGCSA-N 366.434 1.142 0 40 FDAB CCc1cc2c(=O)n(CC(=O)N(CC)C3CCN(C)CC3)cnc2s1 19665613 YOJQMARTGKVHKJ-UHFFFAOYSA-N 362.499 1.963 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1 19748783 FWLJLGXHUAJERX-HNNXBMFYSA-N 354.476 1.049 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCOCC2)s1 21154345 MNQKNGBKPHODMP-HNNXBMFYSA-N 369.512 1.747 0 40 FDAB Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(C(F)(F)F)n1 1888854156 BLFKYADIONNCJK-LBPRGKRZSA-N 372.347 1.267 0 40 FDAB O=C([C@@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCCCC1 1888867026 AGCYTZJBOSAATN-KRWDZBQOSA-N 355.442 1.824 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CCC[C@@]4(COc4ncc(F)cn4)C3)ncnc21 1888903948 LITXHQSRJWHYDV-SGTLLEGYSA-N 369.404 1.978 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565547645 VHBVFUVRBSIXPX-GOSISDBHSA-N 373.844 1.977 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cnn4ccccc34)CC[C@@H]21 1565543986 VFFDHBNERDBSPQ-OALUTQOASA-N 371.485 1.201 0 40 FDAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)N2CCOCC2)C3)CC1 2055713764 ITDFFWPZFJYKHQ-HNNXBMFYSA-N 360.458 1.176 0 40 FDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2CCc1ccccc1)c1cnccn1 2055729639 GPLRRZBMACKPGT-IHPCNDPISA-N 366.465 1.929 0 40 FDAB Cc1nnc(NC(=O)CSc2nnc(N3CCN(C)CC3)s2)s1 23139740 IOSJGNNIPMFLNB-UHFFFAOYSA-N 371.517 1.181 0 40 FDAB CCN1CCN(C(=O)NC[C@H](OC)c2ccc(Cl)s2)C(=O)C1=O 225705266 PSVIECMYSKIYBX-VIFPVBQESA-N 359.835 1.489 0 40 FDAB O=C([C@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1)N1CCOCC1 9980645 WTHOEFROHCCKCK-SFHVURJKSA-N 371.481 1.537 0 40 FDAB C[C@](O)(CNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCO2 77184574 MLCIOTHPJODADB-INIZCTEOSA-N 371.361 1.880 0 40 FDAB O=C1N2CCSC2=N[C@@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F 2487767 IPQOMOGAHHLPGC-NSHDSACASA-N 365.358 1.169 0 40 FDAB COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 665135 PIHDGGYLZNCTSK-UHFFFAOYSA-N 368.842 1.943 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 785668 OKVLXISSCBNJJP-UHFFFAOYSA-N 362.407 1.863 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 16297459 KFQAGGIFOISAGO-UHFFFAOYSA-N 373.478 1.866 0 40 FDAB CN1CCN(C(=O)c2nnc(-c3cccc(Br)c3)o2)CC1 20719676 HFKHQWAMQNKVTO-UHFFFAOYSA-N 351.204 1.887 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2c[nH]c3ccccc23)c1 6881300 ZKTWRLLNMOFNDO-UHFFFAOYSA-N 359.407 1.463 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@H]2c1ccccc1Cl 104280078 UGZGGHQIYVVOHJ-MRXNPFEDSA-N 372.860 1.781 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 32809244 CELXWUWTNBJMNH-ZIAGYGMSSA-N 355.460 1.092 0 40 FDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cnc4ccccn4c3=O)cn2)n1 46311018 CBGBQWCJFDPQIY-UHFFFAOYSA-N 374.404 1.822 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(Cl)cc(Cl)c1 59387541 CBWJZIFAGSWTJH-CYBMUJFWSA-N 365.282 1.729 0 40 FDAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC2CCCCC2)cc1 11904380 QNJVJJCNNFXFTQ-UHFFFAOYSA-N 372.468 1.364 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1 29852131 QSACIGUXTTUGDH-HNNXBMFYSA-N 350.382 1.485 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NCCc1nc2ccccc2[nH]1 22368972 UHASCUPSBAPSNZ-UHFFFAOYSA-N 353.407 1.693 0 40 FDAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NCC(F)(F)F 22805979 PHNZFPKOQAJTQQ-UHFFFAOYSA-N 357.376 1.418 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)s1 100466648 AVMPQSVJOPOXAL-FFTZXLJSSA-N 358.423 1.092 0 40 FDAB O=c1c2ccccc2cnn1C[C@@H](O)COCc1ccc2c(c1)OCO2 42755953 UFTSELKWDFGAIT-OAHLLOKOSA-N 354.362 1.703 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030084 RPOFNHQZATXZNG-GFCCVEGCSA-N 367.471 1.946 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@H]4C2=O)no1 106021946 YXXDMSFDKVXIHG-FVQSIRDASA-N 351.362 1.908 0 40 FDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 55376654 ANEIIFAVRMNQJU-CQSZACIVSA-N 350.415 1.348 0 40 FDAB CC(C)N(CC(F)(F)F)C(=O)COC(=O)CN(C)[C@H]1CCSC1 89869547 UXTHNOOJUSSVBV-NSHDSACASA-N 356.410 1.766 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)/N=c1\sccn1Cc1ccccc1 106545365 KUSUDXBPKYGPEG-HYEKCJMVSA-N 365.480 1.449 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@@H](C)c1cnn(C)c1C)C2=O 25003205 FJOHYUAKORBEAZ-LBPRGKRZSA-N 354.410 1.900 0 40 FDAB O=C1CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2N1 103051062 AERBFHONCILGMW-BETUJISGSA-N 355.394 1.537 0 40 FDAB CCOC(=O)COc1cccc(NC(=O)CCNC(=O)c2ccoc2)c1 25275247 OAGVBWULEUNFQW-UHFFFAOYSA-N 360.366 1.980 0 40 FDAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 57478783 GALIDLXTBHBKKR-UHFFFAOYSA-N 357.435 1.951 0 40 FDAB COc1ccc(CCN2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 58181793 VAMJUAPTPTYLTF-UHFFFAOYSA-N 358.442 1.790 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OC[C@H]3CCCCN23)cc1 58160530 VIEJIVVLDKMNMZ-CVEARBPZSA-N 360.410 1.972 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1cc(F)cc(F)c1 10198642 NLUCKYFZGKAZLN-UHFFFAOYSA-N 365.727 1.999 0 40 FDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)NCc1ccccc1F 58361242 TUWTVFVVVYCDEW-LBPRGKRZSA-N 351.407 1.400 0 40 FDAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CCCN2CCOC2=O)C1=O 58366913 VZFHMKPNDBWCEL-MRXNPFEDSA-N 353.325 1.574 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306134350 NKKDQYWLSLRVPZ-INIZCTEOSA-N 364.467 1.414 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3=O)c2)C1 3334034 YOAPLNIDMJBXKS-IUODEOHRSA-N 366.439 1.153 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)c2cncc(Br)c2)C[C@@H](C)O1 3499418 PNWWMHFGJPYUQQ-NXEZZACHSA-N 357.204 1.637 0 40 FDAB CCOCCCNC(=O)[C@@H](NC(=O)c1cnccn1)c1ccc(OC)cc1 3626133 ABRPDYUZUHZPQW-KRWDZBQOSA-N 372.425 1.499 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)COc3ccccc32)cc1 8374853 NGOHWVWCPRPOIJ-UHFFFAOYSA-N 367.405 1.818 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 13433376 MTVCCWDDSSTJBP-AWEZNQCLSA-N 361.375 1.583 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 49547237 HVZVOMMMZKCZDX-HNNXBMFYSA-N 357.414 1.584 0 40 FDAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)OCC(=O)N1CCCC1=O 6101931 ZXNYJAUAPOAZFA-UHFFFAOYSA-N 372.299 1.127 0 40 FDAB O=C(NCc1nnc2ccccn12)c1ccc(N2CCCS2(=O)=O)cc1 14015125 SQZFQPNRITURES-UHFFFAOYSA-N 371.422 1.199 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)Cc3ccccc3F)CC2)on1 65532841 GYDONTFEXOEBQS-CQSZACIVSA-N 374.416 1.836 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCCc1cccs1 14171952 UNVUKHMDEGKZFH-OAHLLOKOSA-N 357.435 1.570 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 14167336 BNCWECNHSYHCQN-NSHDSACASA-N 355.341 1.499 0 40 FDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc2C1 6600645 GSSLOSPSJDREJB-CYBMUJFWSA-N 359.451 1.719 0 40 FDAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccco1 6664426 BFJWPYMGZSYYOS-UHFFFAOYSA-N 353.382 1.865 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1 14518553 RFUREFVFGFRFJI-UHFFFAOYSA-N 370.800 1.899 0 40 FDAB COc1cc([C@@H]2ON=C(CN3CCOCC3)[C@@H]2C)c(OC)c2c1OCO2 15085697 PPQZOQYNQLDIDU-XHDPSFHLSA-N 364.398 1.828 0 40 FDAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1[nH]nc2c1CCC2 9088315 VJBXTGBVHSZNPC-UHFFFAOYSA-N 373.417 1.741 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409390285 KOGDZCOQAGBIFT-AWEZNQCLSA-N 370.471 1.167 0 40 FDAB O=C(Cn1nnc(-c2ccco2)n1)NCC1(N2CCOCC2)CCCCC1 75507846 ZSIQMJGXBWNIDL-UHFFFAOYSA-N 374.445 1.084 0 40 FDAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 409220769 FLMAZIBCKGRBMY-BJMVGYQFSA-N 354.746 1.725 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 9853392 DCGPTEQLROEXCZ-UHFFFAOYSA-N 352.456 1.094 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1ncc(Cl)c(Cl)c1=O 96993522 IRUWQAVVWGYXDM-CYBMUJFWSA-N 367.236 1.681 0 40 FDAB CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 84457037 OJUJUXYRICVDGE-MRXNPFEDSA-N 372.473 1.357 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C)C2)C1 78725961 HIBGSFUWXSWMEZ-FZMZJTMJSA-N 355.460 1.561 0 40 FDAB CCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1C 79094632 HMIYUWQTHXFARR-UHFFFAOYSA-N 368.434 1.467 0 40 FDAB COc1coc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1=O 79108078 LSAJPPRYPUKKFG-ZDUSSCGKSA-N 358.394 1.857 0 40 FDAB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)[C@H]2CCOC(C)(C)C2)c1 79476399 AMVNWKNMIORFNW-LBPRGKRZSA-N 360.414 1.845 0 40 FDAB CC(C)Oc1cccc(/C=C/C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 95997889 WUVNRZOWWOCXKN-VOTSOKGWSA-N 355.398 1.261 0 40 FDAB O=C(NC1(c2ncon2)CCOCC1)[C@H]1CCCN(Cc2cccnc2)C1 545894636 HTZNNEOLOQPXSV-INIZCTEOSA-N 371.441 1.499 0 40 FDAB CC(=O)Nc1ccc(Br)cc1NC(=O)C1=NN(C)C(=O)CC1 60352900 QONIYIHYISDHTA-UHFFFAOYSA-N 367.203 1.954 0 40 FDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)n2cncn2)on1 548354333 DOBBEAYBOJFMOS-IHRRRGAJSA-N 350.398 1.207 0 40 FDAB CN1CCN(Cc2nnc(C3CCC3)n2C)C[C@@H]1c1nc(C2CC2)no1 516200342 XZOVUXRFOLBMOK-CQSZACIVSA-N 357.462 1.832 0 40 FDAB CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@H](Oc2ncccn2)C1 306126966 FKLFOCNILMFPPM-INIZCTEOSA-N 366.425 1.907 0 40 FDAB COc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218072383 ZVTJNXILWRHLIV-ZQIUZPCESA-N 370.471 1.428 0 40 FDAB O=S(=O)(c1c[nH]cn1)N1CCO[C@H](c2cccc(Br)n2)C1 72382946 IHESHZVDSRVNBL-JTQLQIEISA-N 373.232 1.329 0 40 FDAB CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14744065 VXHMIUQUVBXPTM-KGLIPLIRSA-N 365.817 1.506 0 40 FDAB CN1CCn2c(nnc2[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 72374012 HKBWHJALFMRMPW-HNNXBMFYSA-N 361.471 1.639 0 40 FDAB CC(=O)N[C@H](CC(=O)NCC(C)(C)N1CCOCC1)c1cccs1 40043197 GQRMQXXGFQEPRP-CQSZACIVSA-N 353.488 1.542 0 40 FDAB CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)CC)cc2)CC1 225958291 YVOIMNQWCKKBCW-UHFFFAOYSA-N 368.455 1.501 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 222990136 OPIAWZNZQILXCX-UHFFFAOYSA-N 370.452 1.713 0 40 FDAB O=C(CCN1C(=O)c2cccnc2C1=O)NCCc1c[nH]c2ccccc12 85878341 KABYPNGQSKUZAS-UHFFFAOYSA-N 362.389 1.908 0 40 FDAB biogenic O=C1NCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)[C@H]1c1ccccc1 333416581 LBNOTBSZRVBJTO-KGLIPLIRSA-N 358.410 1.925 0 40 FDAB COc1nn(C)cc1C(=O)NCc1nnc2c(C(F)(F)F)cccn12 238917588 SRKGVSMYJUEXJH-UHFFFAOYSA-N 354.292 1.420 0 40 FDAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(N)cc1 96520815 OGPHSICPUBZOAO-QMMMGPOBSA-N 373.066 1.790 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc12 245237816 XOYRNOMGKPDZOH-IACUBPJLSA-N 367.409 1.555 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(F)c(F)c1)C2 253381894 GFVFLLKVHVZBJB-LBPRGKRZSA-N 359.394 1.631 0 40 FDAB CN(Cc1cnccn1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 630673597 PKYICLBBMMEGKO-IRXDYDNUSA-N 354.410 1.553 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(OCCOC)cc1 643950404 GSIWTHBKWOYJOP-GOSISDBHSA-N 350.415 1.079 0 40 FDAB COc1ccc2nc(C(=O)N3CCC4(CC3)NC(=O)[C@H](C)O4)ccc2c1 1615591551 OFIQDDPQNFOHTM-LBPRGKRZSA-N 355.394 1.711 0 40 FDAB O=C1CC[C@@H]2CN(C(=O)[C@]34CCC(=O)N3c3ccccc3S4)CC[C@H]2N1 618214510 DOFCOBIFUSNWKU-VLXJIEOASA-N 371.462 1.743 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]21 585109211 CXAUHTGNUXXWAJ-OWCLPIDISA-N 357.435 1.689 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2ccco2)[C@H]2OCC[C@@H]21 585109134 AKVIZMSXVIBGIT-OFQRWUPVSA-N 359.382 1.430 0 40 FDAB CCc1noc(CCC(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)n1 585272684 PPMJNHITNSIVJU-IBGZPJMESA-N 359.426 1.397 0 40 FDAB CCc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)on1 585272998 QCSIYIFQMIQUFH-UHFFFAOYSA-N 367.408 1.269 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)CN1C 585103858 SFCILDXFBFGADR-GFCCVEGCSA-N 356.417 1.931 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)CCn3ccnc3)C2)c1 585278972 XNMRDDPFHSPJFM-LJQANCHMSA-N 359.426 1.251 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cccc(O)c1 585096372 KNIQDUVUIDHMBT-CYBMUJFWSA-N 368.437 1.874 0 40 FDAB CN1C[C@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CC1=O 585103957 HQPODBYDFNPJGX-GOSISDBHSA-N 358.467 1.886 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157508 KJBWUDKWSHBVNO-IBGZPJMESA-N 372.400 1.597 0 40 FDAB C[C@H]1CN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 13573555 ZLNABWVXZALNAF-ZOWXZIJZSA-N 357.410 1.262 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 17073025 VDHKLNURAYLARL-SPFNVWMYSA-N 352.412 1.787 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2)cc1 17849949 PFPZOJZDWJCYHV-UHFFFAOYSA-N 362.451 1.811 0 40 FDAB C[C@@H](C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1)n1ccnc1 19080548 NRJFVXIPFUSOPG-LBPRGKRZSA-N 355.398 1.913 0 40 FDAB O=C(c1cnccn1)N1CC[C@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19406668 BLGFIKBCDGWWSZ-NSHDSACASA-N 353.407 1.918 0 40 FDAB Cc1nccnc1N1CCN(c2ncc(C(=O)N(C)C)cc2Cl)CC1 685038969 LRRGAMXGTKIRPV-UHFFFAOYSA-N 360.849 1.862 0 40 FDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccncc3F)CC2)c1=O 575606380 JCEPMPLSUUHMDY-UHFFFAOYSA-N 373.310 1.612 0 40 FDAB O=C([C@@H]1CCOC1)N1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888876140 JODHZPGWJDBCQR-CQSZACIVSA-N 372.400 1.673 0 40 FDAB O=C(c1ccccn1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888896963 MQCVBPPIKJVYQU-CYBMUJFWSA-N 364.409 1.938 0 40 FDAB O=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCCCC1 1889108949 OWTUTZGPDVQHPP-UHFFFAOYSA-N 358.490 1.211 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1 1889136212 GMYZXGWRJPXTKA-GFCCVEGCSA-N 350.419 1.820 0 40 FDAB O=C(NC1CCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565547777 XIMFVLOSPVUUND-BRWVUGGUSA-N 358.442 1.226 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC2(CCN(C(=O)c3cscn3)C2)C1 1565549203 RMZFAOOOHMYIBF-UHFFFAOYSA-N 360.414 1.594 0 40 FDAB O=C(NCc1nc(-c2ccccc2)no1)C(=O)Nc1ccc2c(c1)OCO2 38718086 PIHYSVIAEKSCLU-UHFFFAOYSA-N 366.333 1.720 0 40 FDAB CCc1ccccc1NC(=O)Cn1c(N2CCOCC2)nc(C)cc1=O 49411062 JQWKTCCXLSSLAZ-UHFFFAOYSA-N 356.426 1.589 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccsc2)cc1 618257010 OYGBYWHCGDMLJJ-INIZCTEOSA-N 369.464 1.807 0 40 FDAB CC(C)[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 40043301 ODTDMGNXADVTNO-LLVKDONJSA-N 358.368 1.912 0 40 FDAB Cc1nc(C)c(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(=O)[nH]1 40154869 KNCXWYWHTQOOOC-RYUDHWBXSA-N 371.441 1.577 0 40 FDAB CC1=CC(=C2C(=O)NC(=S)N=C2O)C=C(C)N1CCN1CCOCC1 20347412 HWBMXNXQGXEKNQ-UHFFFAOYSA-N 362.455 1.110 0 40 FDAB COc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(OC)cc1Cl 11566051 XZNOKBBYAAUYHO-UHFFFAOYSA-N 363.819 1.843 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20746135 LQPLSILSVJYFNO-GFCCVEGCSA-N 374.397 1.591 0 40 FDAB CC(C)CCc1nc(CS(=O)(=O)CCC(=O)N2CCOCC2)cs1 60104051 SFBOJLARCXKAEG-UHFFFAOYSA-N 374.528 1.895 0 40 FDAB Cc1cccc(NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 6637141 VBZCKUQXZXJFED-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB O=C(O)[C@H]1CN(Cc2ccco2)C[C@H]2CN(Cc3ccco3)CCN2C1 107201062 ANVRRTZZSCHGDO-JKSUJKDBSA-N 359.426 1.575 0 40 FDAB O=C(NCCCN1CCCC1=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 32645282 ZYZIVJCLOJBVSM-QGZVFWFLSA-N 357.454 1.206 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 58381392 ZTAHKNZTUDDJDJ-UHFFFAOYSA-N 351.366 1.180 0 40 FDAB COC[C@H](C)NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10433825 WZEUEGHBLJCONV-RYUDHWBXSA-N 362.879 1.954 0 40 FDAB CC[C@H](C(=O)Nc1ccccc1F)n1nnc(C(=O)OC)c1C(=O)OC 2686856 XMTUGJQPBATHNV-LLVKDONJSA-N 364.333 1.580 0 40 FDAB CCOc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cn1 52566939 LHSDWILRBPYBQT-UHFFFAOYSA-N 354.366 1.784 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NC3CCCC3)cc2)C1=O 11904840 PYDGKZYZQNWCKD-NSHDSACASA-N 372.468 1.220 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)[C@H]2C)cc1 103146229 LERQAYLUCXNVHR-CABCVRRESA-N 367.471 1.488 0 40 FDAB Cc1ccc(C(=O)N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)s1 103625864 YOGWOPZZKNIGGJ-HUUCEWRRSA-N 373.478 1.723 0 40 FDAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)on1 22847925 QFECJCNQDZCPFZ-AWEZNQCLSA-N 372.425 1.857 0 40 FDAB COc1ccc(C(=O)NC[C@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)cc1 107283946 WQVFMXVJEFVCDT-OPVJXMOQSA-N 372.421 1.401 0 40 FDAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(Cn3nc4ccccn4c3=O)CC2)c(F)c1 12533838 QMCSUYXWIWCMPY-UHFFFAOYSA-N 369.400 1.617 0 40 FDAB O=C(Cn1c(-c2cccc(Br)c2)noc1=O)N1CCCC1 58193604 ZIUVGWJPEAXZJU-UHFFFAOYSA-N 352.188 1.888 0 40 FDAB Cc1occc1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 58202925 IYFCEBZJBGNGSF-UHFFFAOYSA-N 356.378 1.957 0 40 FDAB CN1CCN(c2ncccc2CNS(=O)(=O)Cc2ccccc2)CC1 58203011 MZRPEHOVMCGILR-UHFFFAOYSA-N 360.483 1.453 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(C)=O 36174307 MXXJZXPQIMVVLY-UHFFFAOYSA-N 355.460 1.370 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccccc1 12607450 QVKODAMFRNNRSS-UHFFFAOYSA-N 352.438 1.835 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1 36386891 SSWJAILOKXVKSB-INIZCTEOSA-N 352.456 1.432 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)c2nc3nccc(C)n3n2)cc1F 12770746 XERPWCZRCQRQEW-UHFFFAOYSA-N 356.361 1.040 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)N[C@@H]1CCCN(c2ncccn2)C1 48363913 JKFNOZXAAAHNGR-CYBMUJFWSA-N 373.844 1.645 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(F)ccc1F 12947426 FSFOQXBNAJIPOF-OAHLLOKOSA-N 366.389 1.826 0 40 FDAB Nc1nccnc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12999462 NDRXIVROAUZMLG-UHFFFAOYSA-N 354.439 1.627 0 40 FDAB COc1cc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1OC 12917296 MAMYIWXVCCWOFC-LBPRGKRZSA-N 356.444 1.622 0 40 FDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cc(F)ccc1F 69343131 RIKMGONCHJSFCV-ZYHUDNBSSA-N 363.382 1.744 0 40 FDAB C[C@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)N[C@H]1CCCCNC1=O 63872906 UGLKPGSRXDMUCR-MFKMUULPSA-N 374.409 1.226 0 40 FDAB Cn1ncc2c(NCCO)nc(N3CCN(c4ccc(F)cc4)CC3)nc21 4272772 OVDLLRWMPPIEQT-UHFFFAOYSA-N 371.420 1.233 0 40 FDAB Cc1ccc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)cc1C 17120361 SAVJPWWQLKXIAN-UHFFFAOYSA-N 352.442 1.547 0 40 FDAB CC(C)CN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 14166363 XXIHRXRERULPCW-AWEZNQCLSA-N 371.503 1.344 0 40 FDAB CCn1nc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc2c1=O 4525548 JCBJOHGRHIAORT-BETUJISGSA-N 373.409 1.209 0 40 FDAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cccs2)CC1 8779994 VWYXFNDRBMRFPS-UHFFFAOYSA-N 366.468 1.359 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 7679194 SDEWESFFBOWEDB-KBPBESRZSA-N 362.426 1.758 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 9117195 NSTZBVWECPNUAW-UHFFFAOYSA-N 358.398 2.000 0 40 FDAB COc1cc(CCC(=O)NCC(=O)NCC2CC2)cc(OC)c1OC 95465805 WTKBSEGLAGFHDZ-UHFFFAOYSA-N 350.415 1.287 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NC1CCCCC1 1547200951 CWTBWWGLGKBDJZ-UHFFFAOYSA-N 355.398 1.482 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 9231497 NONJJLVGHLVQQM-LIBKGXAOSA-N 364.423 1.086 0 40 FDAB biogenic,in-vitro Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2COC(=O)C2)nc(CO)n1 1045430116 DJQAGKSYSHIIEZ-BFHYXJOUSA-N 362.430 1.070 0 40 FDAB O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@@H](CO)c1cccc(F)c1 519735165 PTTFDSUYPWOUSL-HNNXBMFYSA-N 370.377 1.093 0 40 FDAB O=C(CCn1cnnn1)NCC1(Cc2nnc3ccccn23)CCCCC1 524733768 NVFRSQQIDQUJGA-UHFFFAOYSA-N 368.445 1.415 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 35898003 VDHKLNURAYLARL-QCZKYFFMSA-N 352.412 1.787 0 40 FDAB CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945323 XBQSUFVHFRFPRV-QGZVFWFLSA-N 370.453 1.395 0 40 FDAB CCN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccc(OC)cc1 78400974 SCQLXMTWUZYIQG-UHFFFAOYSA-N 369.399 1.306 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860283 LTYARRUBVFNFDG-UHFFFAOYSA-N 360.347 1.158 0 40 FDAB COc1ccccc1N1CC(Nc2ccc(S(N)(=O)=O)cc2)=CC1=O 227163134 UXZMRAHPEMNQAT-UHFFFAOYSA-N 359.407 1.685 0 40 FDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4nccs4)C3)N2C1 514289261 KLYHMOJSKAKFQQ-QZTJIDSGSA-N 370.522 1.649 0 40 FDAB biogenic,in-vitro O=C(NCc1noc(C2CC2)n1)c1ccc(C(=O)N2CCOCC2)cc1 528926613 ATRZMJSDFOAINO-UHFFFAOYSA-N 356.382 1.349 0 40 FDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 223291841 JMQCHDCEPCQBNM-WEVVVXLNSA-N 374.418 1.653 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223027 WUWZFHNSFUFROL-XJKSGUPXSA-N 357.451 1.996 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1ccc(F)cc1 96240131 ANZRSROJFBNYFD-HXUWFJFHSA-N 371.412 1.855 0 40 FDAB O=C(Cc1ccsc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124304 JKYYRODKBPCOAU-UHFFFAOYSA-N 355.427 1.010 0 40 FDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccc(F)cc2)CC3)cn1 96059511 ZGXXMPWPBZFZLA-UHFFFAOYSA-N 368.416 1.702 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCc1ccccn1 96223721 ASONONQMTBNVRT-INIZCTEOSA-N 370.384 1.738 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccco1)C2 96230516 PFYHFSGVPJFHHW-LJQANCHMSA-N 354.410 1.514 0 40 FDAB COc1cc(N2CCC3(CC2)CN(C(C)=O)C[C@@H]3COCC2CC2)ncn1 247967334 XNNJYTKYXKGDFW-QGZVFWFLSA-N 374.485 1.977 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247339920 RYOAMEPOWYVVLK-AWEZNQCLSA-N 363.464 1.804 0 40 FDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248092355 FTNVFNNPXNKUAM-CQSZACIVSA-N 356.430 1.458 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1ccccn1)C2 257287370 PPPUXCGNMKGBQN-QFUCXCTJSA-N 364.449 1.763 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3cnccn3)c2)N1 257273572 NHFPNMZVFMSVAU-ZVZYQTTQSA-N 367.409 1.513 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)cn1 257309423 UAWOHZIKZTVPQQ-CYBMUJFWSA-N 351.414 1.695 0 40 FDAB O=C(c1nccc2ccccc12)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257204378 AUHJCZFNAZJOGA-ROUUACIJSA-N 355.438 1.533 0 40 FDAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 1775959027 CIRIWZBJGKFFEZ-MRXNPFEDSA-N 355.442 1.977 0 40 FDAB Brc1cnc(OCC2CCN(Cc3nnco3)CC2)nc1 1775995683 DSSMEUKDHSQMMJ-UHFFFAOYSA-N 354.208 1.913 0 40 FDAB CN1C(=O)CN(CC(=O)NCc2nc(-c3ccccc3F)cs2)C1=O 626689259 LAAJTTWDCQQRFI-UHFFFAOYSA-N 362.386 1.459 0 40 FDAB CN(CCCC(=O)N[C@H]1C[C@@H](CO)C1)S(=O)(=O)c1ccc(F)cc1 633842567 HOYJNTFUXMSCSO-XBXGTLAGSA-N 358.435 1.114 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc(Br)cn2)C1 643755058 JTCVNLKAHFUYBL-OAHLLOKOSA-N 356.264 1.649 0 40 FDAB O=c1[nH]c2cc(S(=O)(=O)Nc3cnn([C@@H]4CCOC4)c3)ccc2o1 96123300 KZFOAQOWOUNIQY-SNVBAGLBSA-N 350.356 1.080 0 40 FDAB O=S(=O)(c1ccc2oc(O)nc2c1)N1CCn2nc(C3CC3)cc2C1 390830874 OANKRZCJZICWRT-UHFFFAOYSA-N 360.395 1.812 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)n1 585272732 QLKKAXDEHBNKIB-LJQANCHMSA-N 359.426 1.169 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585104594 QVRYFAQCVALUAI-ROUUACIJSA-N 360.454 1.470 0 40 FDAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cc[nH]n1 58202567 SATKNPWOFNTTEZ-UHFFFAOYSA-N 362.187 1.911 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656028 JQCIPIRGELUMHC-QWHCGFSZSA-N 372.454 1.027 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)c1 83881772 BOLFUVOYWOUORH-UHFFFAOYSA-N 360.391 1.645 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)n2)cc1 12544254 JXPPGSYTTNCEOV-LBPRGKRZSA-N 361.423 1.898 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 16248489 FKXYWBIHYIPFCM-AWEZNQCLSA-N 369.462 1.146 0 40 FDAB COc1ccc(-c2ccc(CCC(=O)OCc3nc(N)nc(N)n3)o2)cc1 17736889 BYDSRCMVVNPBAK-UHFFFAOYSA-N 369.381 1.981 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC(c3nc(C)n4ccsc34)CC2)n1 19130979 BHVDAQJWPBJKSW-UHFFFAOYSA-N 371.466 1.976 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC[C@H]3Cn3cccn3)ccc21 19659127 KOYDWJXQOPVDHB-HNNXBMFYSA-N 368.441 1.177 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)ccc1=O 19748121 YGSSGDWCEYDWHY-MRXNPFEDSA-N 353.422 1.206 0 40 FDAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2CC2=CCCOC2)n1 19760585 YKUSMEQCCKZRDK-QGZVFWFLSA-N 359.474 1.980 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCc1cccnc1N1CCOCC1)C2 161955837 MKWGGPJEANVOHH-AWEZNQCLSA-N 355.442 1.371 0 40 FDAB CC(C)(C)OC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5714125 WRPLZGOCZPJKHO-CQSZACIVSA-N 361.398 1.805 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22585023 JWRLEHSKLVJRGH-ZDUSSCGKSA-N 355.822 1.378 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)Cc3cccnc3)CC2)nc(O)c1F 1888849688 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370.438 1.574 0 40 FDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342474 WLSLCFZBPNBJEP-HNNXBMFYSA-N 357.410 1.146 0 40 FDAB COC(CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2)OC 12345642 KOTXMOITKASWKG-CQSZACIVSA-N 351.790 1.409 0 40 FDAB Cn1nccc1C(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745897 NJWDTTHRNXSENZ-GFCCVEGCSA-N 357.414 1.368 0 40 FDAB CC1CCN(CC(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)CC1 19496885 GCPVAAALYFNOMO-INIZCTEOSA-N 370.501 1.356 0 40 FDAB O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 40121611 NXWQTOMHUFAWPZ-INIZCTEOSA-N 360.435 1.712 0 40 FDAB O=C(NCCOC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccncc1 40157135 GZWKMVBLZKRVBR-UHFFFAOYSA-N 371.393 1.500 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CNC(=O)NCC1CCCC1 50585825 ZQJXFZKGKISBCM-JYJNAYRXSA-N 365.474 1.809 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 59264498 VJHUPKMIFJBLCD-UHFFFAOYSA-N 373.485 1.149 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O 11326791 FVBFZMFJNWPUCW-UHFFFAOYSA-N 361.789 1.821 0 40 FDAB COc1ccc([C@H](CNC(=O)c2ccc(=O)n(C)n2)N2CCCCC2)cc1 7814438 KXDSVQFKUBRUNX-SFHVURJKSA-N 370.453 1.746 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cccc(F)c1 36774887 LDNNBWBUUQNJGG-NSHDSACASA-N 372.443 1.855 0 40 FDAB Cc1ccc(N([C@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1C 16311973 NYYQXSLINZJNGD-OAHLLOKOSA-N 353.488 1.232 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(OCC(N)=O)c1 29205634 JXGFYYAJERVFSF-GOSISDBHSA-N 369.421 1.944 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccco2)cc1 29318496 DIBVMVRMOFNTFX-UHFFFAOYSA-N 353.400 1.066 0 40 FDAB CCOc1ccc([C@H]2[C@@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 3903528 WFEUSWMZEFNFQO-IUVQAAGXSA-N 364.394 1.471 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495890 KXZGDUBXGDKHOB-ZDUSSCGKSA-N 371.368 1.464 0 40 FDAB COCCCn1c(SCC(=O)N(C)Cc2cccs2)n[nH]c1=O 29633746 VGSDDWRJRXCUAX-UHFFFAOYSA-N 356.473 1.420 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3nc(CC(N)=O)cs3)ccc21 21496083 AMKYRHZOQMBGDC-UHFFFAOYSA-N 371.422 1.461 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)N1CCOCC1 32900024 PDBUFFWQABPHPD-UHFFFAOYSA-N 364.471 1.498 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1 10385201 NQEIQFILAWBMFR-ZIAGYGMSSA-N 350.440 1.795 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420195 QXYJPYRNFVYREE-YGTYGHESSA-N 360.410 1.282 0 40 FDAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(O)cc4)C(=O)[C@H]23)cc1 100355482 DSLIZGSJJQCKKF-RHSMWYFYSA-N 350.330 1.828 0 40 FDAB O=C(c1cnn2cccnc12)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 100142630 LYAFCZKDCSAHCO-CHWSQXEVSA-N 367.384 1.918 0 40 FDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1cccc2cn[nH]c12 102649657 KMLYZLSQDVNQPE-UHFFFAOYSA-N 367.413 1.809 0 40 FDAB CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030455 QPYBTRNKKVMMBO-CYBMUJFWSA-N 359.469 1.176 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccccn3)CC1)C2=O 22924009 KVODCITUTCQRKG-JXFKEZNVSA-N 371.485 1.657 0 40 FDAB O=C(NCCC(=O)N1CCN(C[C@@H]2CCCO2)CC1)Nc1ccccc1 22090484 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DATGLLHJSTUSNF-CMDGGOBGSA-N 359.455 1.449 0 40 FDAB COC(=O)[C@@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1 95461680 PLGDPYVVTSGHQX-MRXNPFEDSA-N 352.387 1.930 0 40 FDAB Cc1cc(=O)c(C(=O)N2CC[C@H](N)C2)nn1-c1cccc(C(F)(F)F)c1 95971817 HUVYJISNVWESLG-LBPRGKRZSA-N 366.343 1.733 0 40 FDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)O)C1)c1ccco1 95969488 OWPWXFFUAZHGAJ-HOTGVXAUSA-N 370.405 1.944 0 40 FDAB Cn1cc(CCCC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 79480078 FSFUUQFRGQTZIG-UHFFFAOYSA-N 363.483 1.605 0 40 FDAB CCc1nc(CC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cs1 89289911 GDGUSBVFNKSVRV-IAGOWNOFSA-N 359.495 2.000 0 40 FDAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cccnc2)c1O 1547206023 GBDQQBSGKXPUIP-HNNXBMFYSA-N 360.410 1.989 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(C)C)c1 22229579 MGVOVQZHTIKNGZ-HNNXBMFYSA-N 354.472 1.929 0 40 FDAB Cn1cc(CN2CCOC[C@]3(Cc4ncc(-c5cncnc5)n4C3)C2)cn1 306125746 DASZCWURYKFXTC-LJQANCHMSA-N 365.441 1.149 0 40 FDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408651567 GVOXDLDPGAJAMA-VTQNTBAGSA-N 357.362 1.569 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)n2c3c(cccc3c1=O)CC2 1295651 UQQRWVBSIRRBPK-UHFFFAOYSA-N 364.357 1.922 0 40 FDAB biogenic O=C(NC1CN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)C1)C1CC1 187726044 HYCUWBCUPNNHIS-HNNXBMFYSA-N 374.416 1.241 0 40 FDAB Cc1nccn1-c1cncc([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 72355544 FYDPERZXNRSNLQ-INIZCTEOSA-N 370.457 1.009 0 40 FDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccc(C(N)=O)cc3)n2n1 72406119 QRGHBABVOIPINV-UHFFFAOYSA-N 368.397 1.582 0 40 FDAB O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44901801 ZWSDXVVEVVZIEH-AWEZNQCLSA-N 360.439 1.735 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@@H]1C[C@H]2C=C[C@@H]1O2 72340751 BAPCDOLDFWIKOC-NUJGCVRESA-N 361.405 1.794 0 40 FDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O 85467334 OZCHOHJCMWFNRC-OAHLLOKOSA-N 357.385 1.478 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)CC1 225691100 JYZSYLSYWIAVDL-UHFFFAOYSA-N 355.485 1.409 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96049586 CEDRXACFKPHOLE-FQEVSTJZSA-N 359.470 1.954 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(c1cnccn1)C2 96230443 AXSYORSDTSQJPO-IBGZPJMESA-N 351.410 1.321 0 40 FDAB CCn1nc(C)c(NC(=O)c2ccccc2OCc2nnnn2C)c1C 96192608 SAQOZWYBFTWDEC-UHFFFAOYSA-N 355.402 1.875 0 40 FDAB CC(=O)N1C[C@@]2(CO[C@@H](C(=O)NCCc3cccnc3)C2)c2ccccc21 96144478 OIVSCXTWFRERDL-CTNGQTDRSA-N 365.433 1.834 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96208498 XQFGACPWBWWKOY-OAHLLOKOSA-N 352.456 1.714 0 40 FDAB O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 96227483 LFWAFEGDDNHVLL-IEBWSBKVSA-N 371.462 1.799 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cccc3nccn23)[C@@H]1c1nccn1C 583621074 YEMJNWAVSGBBPZ-BLLLJJGKSA-N 352.398 1.017 0 40 FDAB Cc1ccc(C(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)cc1F 248089504 GLFIVBYRUHKXHA-CQSZACIVSA-N 366.418 1.077 0 40 FDAB Cc1ccn(CCC(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)n1 257252517 JVBBAACKZJPXJA-INIZCTEOSA-N 356.417 1.276 0 40 FDAB COc1ccc(CC(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)cc1 257270931 MWFVJWNUKHMYAG-OAHLLOKOSA-N 357.410 1.451 0 40 FDAB COc1ccccc1N(CCCC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 260845581 UKBOABZWXJQVRI-CQSZACIVSA-N 370.471 1.537 0 40 FDAB COc1cc(C(F)(F)F)nc(N2CCN(c3ccnc(C)n3)CC2)n1 624101308 ZQJQVCBYSUVQQB-UHFFFAOYSA-N 354.336 1.929 0 40 FDAB COc1cc(-c2noc(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)n2)ncn1 640044131 NSOKMUGTSSNAHU-DTWKUNHWSA-N 359.308 1.138 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](n3cccn3)C2)s1 643417661 NFMGUZWXAZFXFE-LLVKDONJSA-N 354.457 1.505 0 40 FDAB CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2CCOC2(C)C)C1 662077068 BSJZLRIVLYDNOS-OALUTQOASA-N 374.529 1.917 0 40 FDAB O=C(Cc1ccc(O)nc1)N1CCN(c2ncnc3ccsc23)CC1 669141323 VDCADKHDIVQKAQ-UHFFFAOYSA-N 355.423 1.683 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](CO)CN3CC3CC3)C2)cc1 585093947 RRDHLQFBPULIMG-MRXNPFEDSA-N 350.484 1.462 0 40 FDAB CC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2ccc(C)cc2)C1 585282997 OEQCTLDVOGUZCT-HXUWFJFHSA-N 362.470 1.448 0 40 FDAB CCCc1ccc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1 585291153 LLIRREABUUQENV-QRVBRYPASA-N 352.475 1.249 0 40 FDAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 57263311 KKWVHOQKZTYBLN-UHFFFAOYSA-N 360.801 1.914 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)NCc2ccc(F)cc2)c1 5301955 JMNSYBQUZAWFNC-UHFFFAOYSA-N 366.414 1.684 0 40 FDAB COc1ccc(CNC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1 19555747 KLMUMDYKHYCYCK-UHFFFAOYSA-N 370.434 1.879 0 40 FDAB CN(C)C(=O)Cn1cccc2c(CN3CCOCC3)c(C(F)(F)F)nc1-2 19581295 SWTJEKKNUYOSEB-UHFFFAOYSA-N 370.375 1.927 0 40 FDAB CN(C)c1ncc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 19585509 OBTXPGDLUNLVML-HXUWFJFHSA-N 351.454 1.863 0 40 FDAB O=C(COc1ccc(F)cc1)NCC1(N2CCSCC2)CCOCC1 1888847546 VXWNDBCKAPBYHB-UHFFFAOYSA-N 368.474 1.919 0 40 FDAB Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cn1 1888855711 ALSXAEUHTVPOGF-HUUCEWRRSA-N 354.458 1.716 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 27472812 AQLHMDWFBGREJN-UKRRQHHQSA-N 374.528 1.546 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)c(OC)c1 10255916 YUWIONLETGLGHQ-INIZCTEOSA-N 354.406 1.950 0 40 FDAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccncc1 12440714 LOCAMOYVDCYXBA-UHFFFAOYSA-N 350.396 1.699 0 40 FDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC12CCOCC2 2055795995 GYKRBNJDOBHUEC-OAHLLOKOSA-N 373.453 1.947 0 40 FDAB CNC(=O)c1nsc(C(=O)NCc2ccc(OC)c(OC)c2)c1N 49006204 JDFLNDRJUCNRFR-UHFFFAOYSA-N 350.400 1.032 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)cc1 75155951 AXGAEGKJJDLXMP-QGZVFWFLSA-N 362.407 1.497 0 40 FDAB CN1CCc2cc([C@@H](O)CNC(=O)C(=O)NCc3cccs3)ccc21 96362871 NWYLHDUZEQKNNZ-INIZCTEOSA-N 359.451 1.206 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4cnn(C)c4C)[C@@H]3C2=O)cc1 103507058 WZWARHVCXKQNFK-HOCLYGCPSA-N 352.350 1.224 0 40 FDAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1nnc2n1CCC2 40037543 FYEJPHHOLJTLMF-QGZVFWFLSA-N 371.441 1.792 0 40 FDAB NC(=O)c1ccc(COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 16120455 YDEPFWUUAASPKZ-UHFFFAOYSA-N 374.437 1.638 0 40 FDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCCN1CCOCC1 20546342 LSTSGNMDZVIUJG-UHFFFAOYSA-N 372.421 1.109 0 40 FDAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3ccncc3)n2)cc1 20744902 FNEHWMVKUPUWKW-UHFFFAOYSA-N 368.349 1.760 0 40 FDAB COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N(C)C)nn2)cc1 8297572 BTXBVZGJIVWUEX-JZXOWHBKSA-N 369.469 1.752 0 40 FDAB biogenic,in-vitro Cc1nc2ccccc2n1CC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 53004687 LIXNXISLKOAVOD-NSHDSACASA-N 360.414 1.901 0 40 FDAB Cc1ncsc1CN1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 108527714 PZDIXEDJLMBYPQ-HOTGVXAUSA-N 358.467 1.962 0 40 FDAB c1ccc(CN2CCOC[C@@]3(C[C@@H](CNc4cnccn4)CO3)C2)nc1 107795256 RMDNHENRBJIFNW-QFBILLFUSA-N 355.442 1.591 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccco1 12146225 HXZBJVOKYAOXBT-INIZCTEOSA-N 353.378 1.547 0 40 FDAB biogenic Cc1cnc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cn1 25445503 NGLLTXIVNFDDGC-UHFFFAOYSA-N 366.468 1.561 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22811824 DICORDXSVDFUNY-IRXDYDNUSA-N 366.550 1.604 0 40 FDAB COc1ncccc1NC(=O)C(=O)NCc1nc(Cc2ccccc2)no1 61719184 RHBLUAVCTVPYMH-UHFFFAOYSA-N 367.365 1.319 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)NC(=O)CO2 55449555 ZUXCAGVLZWNBJN-CQDKDKBSSA-N 358.394 1.964 0 40 FDAB Cc1cc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)no1 25138352 VICZIJYRNOTDGE-SFHVURJKSA-N 374.372 1.548 0 40 FDAB C[C@H]1C(=O)[C@H](C)[C@H]2N(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]32O4)[C@H]1c1ccco1 105368345 LXIQMFKOABADKQ-FVLCRDTQSA-N 357.362 1.411 0 40 FDAB Nc1nc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc(Nc2ccc(F)cc2)n1 12599616 OYSAHFIUAUVWOS-CHWSQXEVSA-N 368.372 1.788 0 40 FDAB COC(=O)CCN1C(=O)N[C@](C)(c2ccccc2Br)C1=O 10028177 HLUIDVFGZZRBBH-CQSZACIVSA-N 355.188 1.779 0 40 FDAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58191918 PLTFMORMOQZWGE-AWEZNQCLSA-N 374.466 1.752 0 40 FDAB CCN(CC)C(=O)CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 58282134 ITTUYTFYOXNHFZ-ZDUSSCGKSA-N 367.393 1.576 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc2[nH]cnc2c1 10426145 JRDFECHJUMBYTB-UHFFFAOYSA-N 355.398 1.547 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O 12780330 OFOJEZRGGPKZIF-KRWDZBQOSA-N 365.389 1.297 0 40 FDAB biogenic O=C(NCc1ccnc(-n2cccn2)c1)c1cccc(N2CCNC2=O)c1 48263155 NNFJXSQGWIPXNI-UHFFFAOYSA-N 362.393 1.727 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C(N)=O)CC1 12886453 QNDFJUNLFIDHMK-OAHLLOKOSA-N 365.861 1.818 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(C(=O)NC2CC2)c1 8232123 OIOWOXGVHWZXPL-UHFFFAOYSA-N 362.389 1.997 0 40 FDAB COc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)O 13392751 KIEYRPKCBYIEPX-UHFFFAOYSA-N 363.391 1.727 0 40 FDAB Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 13757903 GBCKFGZODWFHBF-UHFFFAOYSA-N 373.844 1.736 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(Cl)cc2N)CC1 5118272 HZQNSHNPYVXIDQ-UHFFFAOYSA-N 354.790 1.491 0 40 FDAB S=c1n(CN2CCN(c3ccccn3)CC2)nnn1-c1ccccc1 5648016 MJTGMTFDBGEUHH-UHFFFAOYSA-N 353.455 1.973 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCc1cc(=O)n2ccsc2n1 17153516 GLGOHKZZRNPZDT-UHFFFAOYSA-N 351.409 1.421 0 40 FDAB Cc1c(C)n2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1C(C)C 4940877 LBWJPSIDMZHSFO-UHFFFAOYSA-N 373.457 1.962 0 40 FDAB Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)N1CCNC1=O 9314693 LGMRYSMGPYUNPO-UHFFFAOYSA-N 351.409 1.889 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C(C)=O)cc2)c2ccccc2O1 9335564 DQQIRZZTBBRGFB-SFHVURJKSA-N 368.389 1.808 0 40 FDAB Cc1cnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)s1 9337731 MJVUORGKAXYOOY-UHFFFAOYSA-N 370.456 1.063 0 40 FDAB O=C(CCNC(=O)c1cnccn1)Nc1nc(-c2ccccn2)cs1 72403216 BOYNCAVFQXHITL-UHFFFAOYSA-N 354.395 1.754 0 40 FDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCSC2=O)C1 78971150 LXDHMKFQXLRSCU-BFHYXJOUSA-N 355.504 1.152 0 40 FDAB O=C(CN1CCc2sccc2C1)/N=c1\[nH]ncn1Cc1ccccc1 84549056 INRIPDBBNDZMTP-UHFFFAOYSA-N 353.451 1.807 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2ccco2)CC1=O 31046929 HXQBDLFNCJCNDP-CYBMUJFWSA-N 371.393 1.187 0 40 FDAB Cn1nccc1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 306128149 GRXLDMULDZGTAI-BQFCYCMXSA-N 356.426 1.509 0 40 FDAB Cn1ncc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c1C(F)F 547522630 GQSCLGNHHJVZBJ-UHFFFAOYSA-N 355.366 1.787 0 40 FDAB COC(=O)/C=C(/C(=O)OC)[C@@H]1C(=O)Oc2c(C)c(=O)c3ccccc3n21 31861624 PKEJVWJQGRSKNY-BMGYJQCNSA-N 357.318 1.042 0 40 FDAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccccn2)CC3)C[C@H](C)O1 72335490 OTUHZFMKSHJMSQ-KBPBESRZSA-N 355.442 1.749 0 40 FDAB Cc1cccc(OCCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1C 40070986 IWDBYKNZCZUGFE-UHFFFAOYSA-N 369.487 1.023 0 40 FDAB CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)CC1 71284892 NPYQTBKUDDSSIN-LSDHHAIUSA-N 359.426 1.370 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)NCCN2CCC(C)CC2)no1 40121271 IDDNZYYKRHHXTJ-UHFFFAOYSA-N 354.476 1.503 0 40 FDAB O=C1NCCN1C(=O)Nc1ccccc1Cc1nc(-c2cnccn2)no1 225657964 QSTJTVWMNWTUHP-UHFFFAOYSA-N 365.353 1.675 0 40 FDAB Cc1nccn1CCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 49524434 BMOGMSQOLHLJGE-UHFFFAOYSA-N 369.425 1.463 0 40 FDAB Cn1cncc1CC(=O)Nc1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1 577793207 ZEYNXFOANWJNDX-UHFFFAOYSA-N 361.409 2.236 0 40 FDAB Cc1oncc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96050259 LCDHUOCBKZZFTE-LJQANCHMSA-N 372.400 1.685 0 40 FDAB Cc1ccc(OCCC(=O)N2CCO[C@H](C(=O)O)C2)c(Br)c1 583650574 LEYCUVPTLNIFBZ-ZDUSSCGKSA-N 372.215 1.838 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242750674 ZVTJNXILWRHLIV-CKEIUWERSA-N 370.471 1.428 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1OC 244385482 YDPZUDFHRXSMIA-UHFFFAOYSA-N 356.444 1.241 0 40 FDAB COc1cccc2c1O[C@@H](c1ccccc1)C1(C2)C(=O)NC(=O)NC1=O 524731654 GETSIGQHGNFHKH-HNNXBMFYSA-N 352.346 1.724 0 40 FDAB biogenic CCc1noc(CCC(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)n1 257317104 VIKWSXBQXHVWAO-SFHVURJKSA-N 359.430 1.059 0 40 FDAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1ccsc1 253591303 LRKLNCHHSGOVBN-AWEZNQCLSA-N 360.483 1.923 0 40 FDAB CCN1CCN(C(=O)CCCn2cc(COc3ccccc3)nn2)CC1 252490270 KNSISXHCPYYXFE-UHFFFAOYSA-N 357.458 1.801 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCN)C2)c2cnccc2n1 257282393 OTOUICGNYQHGDB-LJQANCHMSA-N 357.458 1.077 0 40 FDAB O=C(O)[C@H](CO)NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 1608485516 VHMSEQIBABEXLN-GJZGRUSLSA-N 351.305 1.647 0 40 FDAB O=C(N1CCCC1)[C@]1(O)CCCN(c2nccn3nc(C4CCC4)cc23)C1 631268509 HJJRJUPSTWRHBZ-FQEVSTJZSA-N 369.469 1.951 0 40 FDAB COc1ccc(-c2cn(CC(=O)Nc3nc4c(s3)CCC4)nn2)cn1 640970533 GWUXBKOKFKKQJI-UHFFFAOYSA-N 356.411 1.933 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)CCc1ccc(OC)c(F)c1 643953619 WVTBAOBMEMBKLS-SFHVURJKSA-N 352.406 1.521 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2ccccc2Cl)c1=O 90591045 RUXUPHAXPURMFI-UHFFFAOYSA-N 371.828 1.656 0 40 FDAB Cc1nc(N2CCC(CCCn3ccnc3)CC2)sc1S(N)(=O)=O 669967900 PKBGSNCUHIZTJS-UHFFFAOYSA-N 369.516 1.992 0 40 FDAB CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccsc2)CN1c1ccnc(N)n1 96165443 YFINIFRXROYKCG-OLZOCXBDSA-N 374.470 1.022 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 298115888 ZEILULIBKPSTCY-RPLLJCPNSA-N 368.389 1.284 0 40 FDAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390827288 WBAVJAXZZIQCPE-UHFFFAOYSA-N 364.427 1.994 0 40 FDAB Cc1nnc2c(N3CC[C@@H](NC(=O)COCc4ccccc4)C3)nccn12 390830878 OBCFFXNTJZLGTG-MRXNPFEDSA-N 366.425 1.344 0 40 FDAB Cn1ccc(C2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)n1 575607073 KLSIMVIDIVGYDQ-UHFFFAOYSA-N 361.467 1.990 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 585109545 WLYICAAJGZUYAD-RYRKJORJSA-N 371.462 1.618 0 40 FDAB O=C(c1cnc2ccccn12)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099191 SMKGLVSRPLQXTP-INIZCTEOSA-N 351.410 1.982 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@@H](C)C2 585098000 QGCHXDKBRXOPDU-ZDUSSCGKSA-N 350.444 1.368 0 40 FDAB Cc1cccc(C2(CNC(=O)Cn3ccc(=O)n(C)c3=O)CCCCC2)c1 46235397 MVYRAFQXXWRKQJ-UHFFFAOYSA-N 369.465 1.874 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cc(-c2ccccc2)no1 57379608 IUQRTPFCQACSCP-CQSZACIVSA-N 366.464 1.878 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccc3c(c2)CCC3)C1 56008479 LGCPFCSUOZLOCF-INIZCTEOSA-N 366.483 1.342 0 40 FDAB COc1ccccc1OCC(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1 96120063 QNGMDMHOVHHLRW-CYBMUJFWSA-N 355.456 1.888 0 40 FDAB CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@@H]1C 5239625 SCZYUODFYJWJBY-ZCFIWIBFSA-N 361.185 1.069 0 40 FDAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396959 ZJJICNCMHPKTKH-GOEBONIOSA-N 373.416 1.960 0 40 FDAB biogenic,in-vitro O=C(Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O)N1CCCC1 12117428 GJRJDLZACLBOBB-UHFFFAOYSA-N 355.423 1.780 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)[C@H]3CCCO3)nc12 12146387 QNBNMLNTZKWTHG-CZUORRHYSA-N 354.410 1.641 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C(=O)O)cc2)c1 13267444 LETOIIUWCWXYDD-UHFFFAOYSA-N 351.380 1.881 0 40 FDAB COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1 14153183 CQFIWAKQYINVDI-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)NCc2ccccc2)cc1 16594818 JJWPOJOTXWMKDQ-UHFFFAOYSA-N 368.437 1.891 0 40 FDAB Cc1cc(NC(=O)COc2ccccc2C)n([C@@H]2CCS(=O)(=O)C2)n1 17136059 AUENYAYYQNAYDE-CQSZACIVSA-N 363.439 1.877 0 40 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FDAB Cc1ncoc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772887 RIWDRTVYCICTLH-UHFFFAOYSA-N 357.414 1.337 0 40 FDAB O=C(Cc1ccccn1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732364 DWAUPRZXMDXVPB-OAHLLOKOSA-N 356.426 1.118 0 40 FDAB COc1ccccc1NC(=O)Cn1ccn(Cc2ccccc2)c(=O)c1=O 20902305 AWTQXKRCJJXDDX-UHFFFAOYSA-N 365.389 1.706 0 40 FDAB O=C1OCCN1[C@@H]1CCN(c2ncnc3c2nnn3-c2ccccc2)C1 1775975531 JLBGNALULCZOCL-CYBMUJFWSA-N 351.370 1.241 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1 225401771 ASRTYJYSKWWHGY-ZDUSSCGKSA-N 364.409 1.779 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1 225500670 AKBKEVCRSLLSAF-DLBZAZTESA-N 369.421 1.997 0 40 FDAB CSCC[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 2637979 MRPCUMZANFXBRB-SECBINFHSA-N 367.832 1.523 0 40 FDAB CCOc1cc(S(=O)(=O)N[C@@H](CC)CO)ccc1Br 11566175 CSAHWAVGWXLWDC-VIFPVBQESA-N 352.250 1.897 0 40 FDAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC 17073933 XXKTZPBJFLYODI-UHFFFAOYSA-N 358.394 1.824 0 40 FDAB COc1ccc(OC)c2c1CN(c1cncc(-n3cccn3)n1)C[C@H]2O 40153486 CDLOOJVHQSMRIA-CYBMUJFWSA-N 353.382 1.733 0 40 FDAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nc12 31631917 BDZCLAMGLMLXIY-FQEVSTJZSA-N 362.389 1.970 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 50963880 KGACIENUIQUEMC-INIZCTEOSA-N 372.462 1.097 0 40 FDAB CC1CCN([C@H](CNS(=O)(=O)N2CCOCC2)c2ccccc2)CC1 59932512 PPOHNHMWBFDRMB-GOSISDBHSA-N 367.515 1.626 0 40 FDAB CCN(CC(=O)NCCCOC)CC(=O)NCc1ccc(Cl)cc1 6542959 PXJHQMFNCFVGSL-UHFFFAOYSA-N 355.866 1.431 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 7361843 JGZVOJHDYLMNBC-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB C[C@H](CN1CCOCC1)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 46887644 MWKGNXLMELYRMK-QAVQXKDTSA-N 352.818 1.919 0 40 FDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(C(C)=O)cn1C 21741397 AYUGUBAYKBCMNE-UHFFFAOYSA-N 358.350 1.350 0 40 FDAB CC(=O)Oc1ccc2nc(CN3C(=O)c4ccccc4C3=O)oc(=O)c2c1 1090468 AVTIWSGCCJLRJS-UHFFFAOYSA-N 364.313 1.910 0 40 FDAB O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1F 12409864 XZDYVJUKZXGVDX-UHFFFAOYSA-N 364.358 1.070 0 40 FDAB CC(C)C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)C(=O)N(C)C 43080941 IRFJQAQBRWGIHF-OAHLLOKOSA-N 363.458 1.802 0 40 FDAB O=C(Cc1ccccc1Cl)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635393 QCOPNVDAJBFEDJ-WBVHZDCISA-N 352.862 1.736 0 40 FDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 24806772 XKCNEEZKNOQEQX-OAHLLOKOSA-N 367.409 1.337 0 40 FDAB CC(=O)Nc1nc(COC(=O)Cn2cnc3ccccc3c2=O)cs1 25311939 JANRKCUJFBTLOI-UHFFFAOYSA-N 358.379 1.555 0 40 FDAB CC[C@]1(c2ccc(NC(=O)CN(C)C(=O)OC)cc2)CCC(=O)NC1=O 56165802 BUTVESWDWVCRSX-GOSISDBHSA-N 361.398 1.408 0 40 FDAB NC(=O)CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 27388268 AHOZHEAKPOGYBC-UHFFFAOYSA-N 351.406 1.660 0 40 FDAB NC(=O)c1cccnc1N1CCN(C(=O)/C=C/c2ccccc2F)CC1 58099237 KUNBTBWOFRKZMS-BQYQJAHWSA-N 354.385 1.682 0 40 FDAB COc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(C(F)(F)F)c1 58218785 AJLVDNFMVSMFSX-UHFFFAOYSA-N 359.348 1.865 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@H](C)CC[C@H]2CCCO2)cc1OC 58363455 CNDWSJTWKINZCN-UKRRQHHQSA-N 364.442 1.898 0 40 FDAB CCc1nnc(NC(=O)COCC(=O)Nc2nnc(CC)s2)s1 3230953 LMNTUHSMMGBNFT-UHFFFAOYSA-N 356.433 1.108 0 40 FDAB O=C1NCCCC[C@H]1Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 10879928 JSEIMGBRXSLGKT-UONOGXRCSA-N 365.503 1.818 0 40 FDAB CCNC(=O)CNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 48277927 BFBDZOHFAMWGIE-UHFFFAOYSA-N 367.449 1.944 0 40 FDAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 22513854 OGHUCPNTUMYIRR-AWEZNQCLSA-N 369.487 1.931 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(CN2CCOC2=O)cc1 69779004 FSLVQECVEYKSPW-ZDUSSCGKSA-N 360.414 1.771 0 40 FDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8324150 PZGLQSGHPJYXND-KRWDZBQOSA-N 371.437 1.277 0 40 FDAB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(C(N)=O)cc1 5539902 YZGIRCBLKUOFOP-LBPRGKRZSA-N 361.398 1.058 0 40 FDAB COc1cc(OC)nc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)n1 6661852 XDFLZGGLRBSIEI-UHFFFAOYSA-N 355.354 1.615 0 40 FDAB Cc1cccc(C2(NC(=O)CN3CCS(=O)(=O)CC3)CCCC2)c1 66511541 BMZGIZYGHDWDAP-UHFFFAOYSA-N 350.484 1.611 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](Cc1ccccc1)C(=O)O 8991816 FPJZZCWUSLAZOX-MRXNPFEDSA-N 351.362 1.278 0 40 FDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)C(N)=O 5919991 GSBIBKMEBNFHPD-NEPJUHHUSA-N 354.428 1.280 0 40 FDAB CC(=O)Nc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 7045565 RJLUXEOWWMOACD-INIZCTEOSA-N 356.378 1.980 0 40 FDAB COc1ccccc1OCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 18475782 GPZZQGYDYHJNJB-UHFFFAOYSA-N 361.398 1.055 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(C)s2)C1=O 7394340 SQSVXQZNODDRKR-UHFFFAOYSA-N 352.412 1.893 0 40 FDAB Cc1ccc(N([C@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1C 409411749 ZLBSKCUCOUXXEK-ZBFHGGJFSA-N 354.472 1.753 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc1 7677363 RIJMUTXHSIPEEY-UHFFFAOYSA-N 371.393 1.652 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCOCC3)c(Cl)c2)C1=O 19797448 PDLHRMYYCGWWQK-SNVBAGLBSA-N 372.830 1.125 0 40 FDAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 76019137 MZOQBAKDMIRPGU-NEPJUHHUSA-N 361.366 1.754 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NC1CC1 72404065 ZJYOKMQSXSICNW-LBPRGKRZSA-N 350.850 1.839 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1ccccn1 72400750 RIEVWICPKVJGML-UHFFFAOYSA-N 353.426 1.230 0 40 FDAB CNC(=O)CN1CCN(C(=O)Nc2cc(OC)ccc2OC(C)C)CC1 79068019 YQLUUCDBODZIDI-UHFFFAOYSA-N 364.446 1.378 0 40 FDAB O=C(NCCNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1)c1ccco1 74211908 HBDBCIJBJQJDAJ-MRXNPFEDSA-N 369.421 1.821 0 40 FDAB Cn1nccc1N1CCC[C@H](N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)C1=O 555748145 JDZQAYSUOGAJTB-KBXIAJHMSA-N 371.441 1.511 0 40 FDAB CCOC(=O)c1cn([C@@H]2C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)nn1 38534517 DUKVLBYVDIGTBA-MWLCHTKSSA-N 354.363 1.090 0 40 FDAB Cc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 35876719 NTQMPZXGYNPKCJ-DNVCBOLYSA-N 351.450 1.830 0 40 FDAB COc1cc([C@@]2(C)OC[C@H](CN3CCOCC3)O2)cc(OC)c1OC 33852239 ZIOBPMQEBOCFLH-KSSFIOAISA-N 353.415 1.633 0 40 FDAB in-man Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)n(C)n1 306127093 FOIAJNSWIGFRPN-INIZCTEOSA-N 356.474 1.478 0 40 FDAB CCc1nccn1-c1cccc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1 72379151 DWLXWPKYNYKFGP-KRWDZBQOSA-N 369.469 1.825 0 40 FDAB C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc(-n2cccn2)ccc1=O 70640950 BLFHCACZWBCLFM-CYBMUJFWSA-N 371.372 1.152 0 40 FDAB O=S(=O)(NCCOc1cc(N2CCCC2)ncn1)c1cccs1 38521739 RLIQBOSKRKQJDS-UHFFFAOYSA-N 354.457 1.496 0 40 FDAB COC(=O)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49551892 LXAORZOGTOKSKR-UHFFFAOYSA-N 351.362 1.353 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2[C@H](C)C[C@H]2C)CC1 527472274 WZBLYIOOYSWFCH-GHMZBOCLSA-N 354.476 1.437 0 40 FDAB CCOC(=O)[C@H]1CCCN(c2nc3ncc4c(c3c(=O)[nH]2)CCCC4=O)C1 40372938 BDQITGXOKIMQQR-NSHDSACASA-N 370.409 1.617 0 40 FDAB O=C(c1ccc(Cl)cc1NCC(=O)N1CCNC1=O)N1CCCCC1 47272926 SDMIVYYTPQASHT-UHFFFAOYSA-N 364.833 1.930 0 40 FDAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1 225703871 DJCOSWWHSYVYMK-ZDUSSCGKSA-N 360.391 1.582 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCOC[C@H]3c3nnc(C)o3)cn2)n1 330345280 DZNKSPNSYJYRMP-HNNXBMFYSA-N 368.397 1.789 0 40 FDAB CCCCNC(=O)N1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 96254157 HUKLLIPVQAGSSL-UHFFFAOYSA-N 374.489 1.755 0 40 FDAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c1OC 98211236 AUHYTJGPLJREQD-UHFFFAOYSA-N 360.414 1.105 0 40 FDAB CN(Cc1cn2c(n1)CN(S(=O)(=O)C1CC1)CC2)Cc1ccco1 96059538 OKXASBYJBPYCOT-UHFFFAOYSA-N 350.444 1.416 0 40 FDAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)NCC(C)C)CN(C(C)=O)C[C@@H]21 96143776 ZJLIXTJAKHGJHO-FXAWDEMLSA-N 363.502 1.646 0 40 FDAB COc1cccc(OC)c1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257309636 UBTSVVFJPAZFQY-HOTGVXAUSA-N 350.459 1.801 0 40 FDAB CN(C)[C@H]1[C@H](NC(=O)c2ccccn2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257306284 STQCNSXMUXKOBZ-BDXSIMOUSA-N 359.401 1.462 0 40 FDAB COc1ccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 260761025 DSJHGLPPOUOLRM-MRXNPFEDSA-N 370.471 1.537 0 40 FDAB CCn1cc(C(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)c(C2CC2)n1 630209882 GXZSGESZKMOKEP-UHFFFAOYSA-N 358.402 1.547 0 40 FDAB C[C@H]1CN(C)C[C@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)O1 635572118 GTNGVMMISUYMNX-WCQYABFASA-N 354.414 1.621 0 40 FDAB C[C@H](C(=O)N1CCC[C@H](n2ccnn2)CC1)n1nnc(-c2ccccc2)n1 636190462 SMZUFEHMLLJODA-ZBFHGGJFSA-N 366.429 1.746 0 40 FDAB COc1cccc(CN(C)C(=O)CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 643859507 HKURDBCJODGINV-SJORKVTESA-N 358.442 1.839 0 40 FDAB CCCOc1ccc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)O)cc1 643972017 IOQUMDCPUAWKPH-MRXNPFEDSA-N 357.428 1.730 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)COc1ccc(Cl)c(F)c1 643946615 FRYITISINKGZQP-MRXNPFEDSA-N 358.797 1.612 0 40 FDAB O=C(CN1CCC(Cn2cnnc2)CC1)NC1C2CC3CC(C2)CC1C3 649790229 MVQSCKRNJRYHNZ-UHFFFAOYSA-N 357.502 1.931 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(n1)OCCO2)[C@H](Cc1ccccc1)C(=O)O 656253666 ZFZDQQAKENFAME-OCCSQVGLSA-N 356.378 1.915 0 40 FDAB O=C1c2ccccc2CCN1CCNC(=O)N1CCOC[C@@H]1CC(F)F 606444225 UEBVOACSMWHPJV-AWEZNQCLSA-N 367.396 1.751 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)CCO1 681941325 BYUDRLACIQANQP-SJORKVTESA-N 374.437 1.267 0 40 FDAB COc1ccccc1CCC(=O)NC[C@H]1C[C@H](c2nc(C)no2)C[C@H]1O 1775958394 WMOZRWBDUMLEDD-ARFHVFGLSA-N 359.426 1.990 0 40 FDAB COCC(=O)N[C@@H]1CN(Cc2ccc(C)c(OC)c2)C[C@H]1c1ccnn1C 1615548746 IQOHOVANFGXBCG-IAGOWNOFSA-N 372.469 1.468 0 40 FDAB Cc1cc(C)cc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)c1 585105311 SVDWGHJZOOSVQG-MRXNPFEDSA-N 352.500 1.834 0 40 FDAB O=C(COc1ccc(Cl)cc1Cl)NCCOCCn1cncn1 585150503 WHMYFDAWLZXERY-UHFFFAOYSA-N 359.213 1.797 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1 585275755 GQRMALFQFXLTQA-LJQANCHMSA-N 358.442 1.573 0 40 FDAB CS(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 56097889 FEPZQMOLTDAMLW-UHFFFAOYSA-N 364.446 1.597 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 107556176 GCQONDJWRZZNSO-MGPQQGTHSA-N 358.394 1.118 0 40 FDAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 37189588 ZAWJBABOCLKSQH-LLVKDONJSA-N 354.248 1.940 0 40 FDAB CC(=O)N1CCN([C@@H]2CCC[C@H](Oc3ccccc3)[C@@H]2O)C[C@@H](CO)C1 1615108238 RVKXTPPVGCDMHB-OJAHFUOMSA-N 362.470 1.120 0 40 FDAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(C)(=O)=O)C[C@H]1CO2 1772594682 SKHZSVMDKMZLCT-AWEZNQCLSA-N 367.471 1.087 0 40 FDAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cnccn1 12276261 VCQXGLGYAYTHAZ-GFCCVEGCSA-N 355.423 1.970 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1C(=O)O 13026983 CVFZHDGINTUJAD-HNNXBMFYSA-N 363.391 1.667 0 40 FDAB CC(C)C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 13133393 ACFSALJTHZUQDJ-MEOSDYHSSA-N 369.465 1.886 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ncc(C)s2)cc1 14094635 QHOUNEKVELEJNS-JTQLQIEISA-N 367.452 1.960 0 40 FDAB NC(=O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 15144888 KWJPDCQABGQZDJ-CAOOACKPSA-N 359.298 1.813 0 40 FDAB Cc1ncoc1C(=O)NCCc1cc(N(C)C)nc(-c2ccccn2)n1 19559612 DAWHALPLTUIVNJ-UHFFFAOYSA-N 352.398 1.874 0 40 FDAB Cc1nonc1C(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 19698057 BZZKCTHMVTVSDZ-UHFFFAOYSA-N 370.413 1.438 0 40 FDAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(S(C)(=O)=O)C1 19703401 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630670186 CEQKSOVYRZNAPN-IAGOWNOFSA-N 358.438 1.743 0 40 FDAB CCc1cnc(N2CCO[C@@]3(CCCN(C(=O)[C@@H]4CCOC4)CC3)C2)nc1 2055793240 DJFONSXGMVABAJ-YLJYHZDGSA-N 374.485 1.663 0 40 FDAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)C1CCN(S(C)(=O)=O)CC1 225599089 WSWMZNZLDGYTBB-ZDUSSCGKSA-N 366.483 1.340 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 575618256 UOGVDVQEBWPUFS-UHFFFAOYSA-N 366.425 1.619 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCC[C@@H](CCO)c2ccsc2)CC1 575606481 HCKCNQWISQLUPM-ZDUSSCGKSA-N 374.528 1.392 0 40 FDAB Cc1nc(NC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)sc1C(=O)N(C)C 585149874 WNZPHUUZYFTPIB-UWVGGRQHSA-N 352.460 1.500 0 40 FDAB CN(C)c1nc(CNC(=O)c2ccc(Br)o2)nc(N(C)C)n1 575603865 MAUHLQAQPQPMCO-UHFFFAOYSA-N 369.223 1.289 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)c(F)c1 28835424 DBHSEABHVWMJRO-OAHLLOKOSA-N 363.433 1.326 0 40 FDAB COc1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c(O)c1 11359581 VUMXHTBJTVICIT-UHFFFAOYSA-N 350.396 1.702 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccnc1 3276848 RQNJQLWJKRZYFG-UHFFFAOYSA-N 350.396 1.652 0 40 FDAB O=C(NCCN1CCOCC1)c1nc(Cc2c[nH]c3ccccc23)no1 20713974 NRBVCMXPVJTVBO-UHFFFAOYSA-N 355.398 1.204 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c(OC)c1 4537345 HSLOIUWPQUOIDX-YNHQPCIGSA-N 358.394 1.673 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccccc1C 4559877 KCCLQUODNNILEX-QEOTZNIISA-N 351.399 1.116 0 40 FDAB COc1ccc(C2(O)CCN(CC(=O)NC(C)(C)C)CC2)c(OC)c1 4985090 UVUDEZUGASWSKO-UHFFFAOYSA-N 350.459 1.902 0 40 FDAB COc1ccc(CN(C)C(=S)NCCN2CCOCC2)c(OC)c1 21193457 HAHFZQDZDUMYQP-UHFFFAOYSA-N 353.488 1.342 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 7939670 MAEBFSCZBRPSDY-PGWQMSGGSA-N 372.377 1.324 0 40 FDAB CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 32780715 YEFRDTCQAWBZHC-LBPRGKRZSA-N 370.858 1.726 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 8691990 LBXAQJLJXKIVBC-AWEZNQCLSA-N 351.859 1.992 0 40 FDAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716739 SCCMJYHISLSFQK-YJBOKZPZSA-N 359.470 1.960 0 40 FDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102399088 LWRRXOUUZRUDDD-GASCZTMLSA-N 374.393 1.352 0 40 FDAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccn(CCc2ccncc2)n1 60335183 SJCXVTILHPHOEJ-CYBMUJFWSA-N 350.444 1.673 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102697921 LYEOXJGZFHQNBA-CHWSQXEVSA-N 358.394 1.942 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)C1CCN(C(=O)c2ccoc2)CC1 53526605 DXKZKZJNFPTKFY-UHFFFAOYSA-N 366.381 1.951 0 40 FDAB O=C(COc1ccccc1)NC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1 107430648 FBLMZFVLLCPZJQ-OPVJXMOQSA-N 372.421 1.158 0 40 FDAB biogenic,in-vitro O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCN(c2ncccn2)CC1 703877 CLUXVPZZJANZRE-UHFFFAOYSA-N 374.253 1.689 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1)NC1CC1 22931735 CSPKSDPTJRMZEL-SJLPKXTDSA-N 362.518 1.064 0 40 FDAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc2c(c1)OCO2 58158776 OUJOURXKDYRKPG-UHFFFAOYSA-N 355.394 1.882 0 40 FDAB NC(=O)Cc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 58173868 NFMMAVFMEIJSMN-UHFFFAOYSA-N 352.390 1.456 0 40 FDAB COC(=O)c1nnsc1NC(=O)c1cc(OC)c(OC)c(OC)c1 20738139 UJCSOSUWBLBXBW-UHFFFAOYSA-N 353.356 1.603 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1C 28015676 PGMKLWRWLOSXQX-SFHVURJKSA-N 361.486 1.506 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 36389632 ORPVLVQYBAXISR-UHFFFAOYSA-N 362.821 1.023 0 40 FDAB Cc1noc(C)c1CN1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 306137898 RJMZMGNJDXTUGF-SFHVURJKSA-N 366.425 1.756 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H]1CC=CCC1 10851059 DBSOXNJLYWGJRI-CQSZACIVSA-N 360.410 1.958 0 40 FDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)N1 12732324 FXBROOOTAMTYMJ-VXGBXAGGSA-N 358.423 1.948 0 40 FDAB CN(CC(=O)N1CCOCC1)C(=O)CSc1nc2ccccc2s1 3411366 ZOELMQHDGGKUMG-UHFFFAOYSA-N 365.480 1.706 0 40 FDAB CCOc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1 7883128 MYKNMYAFCCERAO-CQSZACIVSA-N 363.439 1.744 0 40 FDAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13015959 SLCRQYMIDPIMTB-NSHDSACASA-N 359.407 1.598 0 40 FDAB CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2N)CC1 3888626 WAPFPPMFOAIGPT-UHFFFAOYSA-N 352.504 1.585 0 40 FDAB Cc1sc2ncn(NC(=O)CSc3nncn3C)c(=O)c2c1C 16675363 UHXXIOPIXOVERG-UHFFFAOYSA-N 350.429 1.066 0 40 FDAB NC(=O)c1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc2c1CCC2 8133337 BBNBOCOLXAPGAB-UHFFFAOYSA-N 368.418 1.684 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 39535844 VYLIZAQWSOGILJ-UONOGXRCSA-N 350.440 1.298 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387388 DAVNREGNPPKABN-COPLHBTASA-N 362.304 1.479 0 40 FDAB CCCCCn1nc(C(=O)N2CCC[C@H](C(N)=O)C2)c2ccccc2c1=O 8269706 HYAMUFQWXFZNCP-AWEZNQCLSA-N 370.453 1.924 0 40 FDAB COC(=O)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 8345815 YAMYUPZMGTUSLQ-UHFFFAOYSA-N 374.484 1.145 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(CC)cc2)c(=O)n(C)c1=O 6787526 HJGQOUUWGYEXFZ-UHFFFAOYSA-N 372.469 1.416 0 40 FDAB COc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 4986151 FWNQKMYAWDGRCU-UHFFFAOYSA-N 366.395 1.561 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cn1cnc2cc(F)ccc2c1=O 8485496 TWHVRVCCTPHWNC-UHFFFAOYSA-N 355.325 1.961 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8428668 MIZLRZABVSFDIM-ZDUSSCGKSA-N 373.409 1.149 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(N2CCCC2)n1 67256921 RZUSBVARBGSUAB-UHFFFAOYSA-N 360.389 1.768 0 40 FDAB CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 92503269 WDFNZTNZMURVCZ-CYBMUJFWSA-N 370.375 1.479 0 40 FDAB CCn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)cn1 306139335 SUUGOZQEQNUOCW-INIZCTEOSA-N 372.473 1.048 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)NC[C@H](c1ccco1)N1CCCC1 9867390 SFJHZGIXHDRRBR-MRXNPFEDSA-N 369.421 1.958 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc12 97015533 AYGKBKPOYJUNQF-CQSZACIVSA-N 373.438 1.514 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CSCN1C(=O)C1CC1 97124428 WRTGAWZRFPEGKX-CQSZACIVSA-N 374.418 1.137 0 40 FDAB CS(=O)(=O)c1cc(NC(=O)COc2ccccc2F)cc(C(=O)O)c1 95970842 VXQQVUHVLALSLA-UHFFFAOYSA-N 367.354 1.945 0 40 FDAB C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1ccccc1F 9986278 HHIUGOBCYDWKGB-NSHDSACASA-N 372.418 1.368 0 40 FDAB Cc1nnn(CCNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)n1 79110077 HOQMQRWDAMTVTM-HNNXBMFYSA-N 364.409 1.304 0 40 FDAB C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1CC1CCOCC1 306134565 NSBOVEHEHAGMOI-GFCCVEGCSA-N 354.401 1.777 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OCC 408699397 WQMMCSZSDMAWPM-UHFFFAOYSA-N 352.412 1.907 0 40 FDAB Cn1nccc1S(=O)(=O)NC[C@H](Cc1ccccc1Cl)C(=O)O 548210661 WNROEOHPTQFTSY-NSHDSACASA-N 357.819 1.295 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1C 36610952 XPLZUXSFYCOSQE-FZCLSBEQSA-N 372.469 1.379 0 40 FDAB CC(C)OC[C@H](O)CN(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 548681817 SIZJRWZDUBTXOV-HRCADAONSA-N 369.485 1.177 0 40 FDAB COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)c1 72371614 DVIHMNQGDLSDRD-OAHLLOKOSA-N 372.469 1.917 0 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FDAB Cc1nc(CN2CC[C@]3(CCCN(C(=O)CN(C)C)C3)C2=O)cs1 96224394 LPFPDMLZBQWTJH-KRWDZBQOSA-N 350.488 1.354 0 40 FDAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c1 98212478 KBQPPRAQXKMJBS-DLBZAZTESA-N 363.377 1.927 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccnnc1 96044413 WXPXGCIIJUJNNE-INIZCTEOSA-N 357.414 1.144 0 40 FDAB COCCN1CC[C@@]2(CCCN(S(=O)(=O)c3cccs3)C2)C1=O 96073961 SSWCYJIINBEJQH-OAHLLOKOSA-N 358.485 1.398 0 40 FDAB Cn1cc([C@H]2CC3(CCN(C(=O)c4ccc(F)cc4)CC3)NC2=O)cn1 96069615 OHRWTVLPVXSUAO-MRXNPFEDSA-N 356.401 1.838 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(OC)cc1)CCN(C(C)=O)C2 97952780 RIHXVXGPCMSQSC-FQEVSTJZSA-N 359.470 1.598 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244312 NCLWUTHGYWPUKT-GOSISDBHSA-N 372.450 1.505 0 40 FDAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 245237253 HCKKMJPHOLLAJH-CVEARBPZSA-N 368.499 1.340 0 40 FDAB COc1ccccc1CN1CC2(C1)OCC[C@@H]2CCNS(C)(=O)=O 248156579 ZDQNDQMTPWFPHI-HNNXBMFYSA-N 354.472 1.225 0 40 FDAB NC(=O)CN1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257235027 GWCQIJPOODHRBL-JTQLQIEISA-N 366.347 1.909 0 40 FDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 257265300 LYCHEZRTVMUAQB-QZTJIDSGSA-N 355.390 1.968 0 40 FDAB Cc1noc(C)c1-c1nc([C@H]2CCCN(CCC(N)=O)C2)ccc1CO 257313039 UQTJAEHIQQEOSQ-AWEZNQCLSA-N 358.442 1.901 0 40 FDAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2ccccn2)cn1 253601568 UBSDLBGIIUJRJX-OAHLLOKOSA-N 353.426 1.913 0 40 FDAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1cccs1 604383111 JXAKNUQBVPJZEW-YQQAZPJKSA-N 369.487 1.497 0 40 FDAB biogenic,in-vitro Cc1n[nH]c(C)c1-c1nccnc1C[C@@H]1CCN(S(=O)(=O)N(C)C)C1 257309540 UBHZOXWYDDOLPH-ZDUSSCGKSA-N 364.475 1.154 0 40 FDAB O=C(O)c1cccc(CCNS(=O)(=O)c2cccc3c2OCCO3)n1 281939956 RNRPDNNINBBOER-UHFFFAOYSA-N 364.379 1.072 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1ccc(N(C)C)cc1 90746617 FYDKOECPYCESKT-KRWDZBQOSA-N 371.437 1.227 0 40 FDAB COc1cccc2c1OC[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)C2 623130520 LYNOCQPKIBOYAT-CKEIUWERSA-N 372.425 1.562 0 40 FDAB COc1cccc(C[C@H]2CCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)c1 643388045 XUWRUTKPAFIYNM-HZPDHXFCSA-N 370.457 1.803 0 40 FDAB COc1cc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)cc2c1OCO2 643755720 AOEONMFJBLPGDV-GOSISDBHSA-N 350.415 1.229 0 40 FDAB Cc1nccc(C(=O)N2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)n1 647094318 MEMMHWLBEXQIOV-UHFFFAOYSA-N 354.458 1.995 0 40 FDAB CN(Cc1cn(C)nn1)C(=O)c1cccc(NC(=O)c2cccnc2)c1 1147547389 PKOZQWAELUHPAA-UHFFFAOYSA-N 350.382 1.735 0 40 FDAB CN(C[C@H]1CCCS1(=O)=O)C(=O)c1cc(N)ncc1Br 694116244 IYVAXPYODWLLEV-MRVPVSSYSA-N 362.249 1.076 0 40 FDAB Cc1ccc(N2CCN(C(=O)c3nc(=O)[nH]c4ccccc34)CC2=O)cc1 82092886 RPYSRSDOKFLRLP-UHFFFAOYSA-N 362.389 1.721 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1CCc2ccccc2O1 390828592 BHXCMINGLGLQGJ-ZBFHGGJFSA-N 364.409 1.213 0 40 FDAB CCCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@H]1C 585097917 PAHVNFZPSIJSEQ-CQSZACIVSA-N 355.442 1.840 0 40 FDAB CN(C)CCN1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 585102432 HYMYJNAVPHEAKA-UHFFFAOYSA-N 364.465 1.337 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1=O 824411962 PZDRVFCAYMZYCM-BQYQJAHWSA-N 371.437 1.601 0 40 FDAB COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1 96025800 ZJYXDFQMUDAADZ-KRWDZBQOSA-N 367.471 1.318 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(C)c1 84101458 FEVMYTNLCCHNNG-RDJZCZTQSA-N 361.419 1.718 0 40 FDAB O=C1CC[C@@H](C(=O)O)NC(=O)c2cc(Cl)ccc2OCCCCCN1 1615078924 FUSCFJJTABDPOI-ZDUSSCGKSA-N 368.817 1.982 0 40 FDAB COc1ccc(/C=C\C(=O)O)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 6182320 GSPDHQZKFVPSPS-HYXAFXHYSA-N 369.395 1.278 0 40 FDAB Cc1nn2c(-c3ccc(S(=O)(=O)NCCO)o3)nnc2c2ccccc12 5307418 WANVZZWLYMACIJ-UHFFFAOYSA-N 373.394 1.117 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)CNc2ccc(O)cc2)C1 5757179 LFHHUAMCQMHXQL-HDMKZQKVSA-N 355.438 1.446 0 40 FDAB biogenic CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccncc3)C2)c2cccnc21 19021867 FPHNNZBHWWGEOJ-QGZVFWFLSA-N 364.453 1.952 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C(=O)O1 19460906 GCAIMBFJKKPJLA-CQSZACIVSA-N 372.469 1.560 0 40 FDAB CCOC(=O)Cn1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c2ccccc21 19530580 AZCSZXGPDHYNRO-KBAYOESNSA-N 371.481 1.844 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCN(CC(=O)Nc3cc(C)on3)CC2)cn1 19749186 QJDRDZATVZCMLE-CQSZACIVSA-N 372.429 1.304 0 40 FDAB COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 19937484 PUNSTZBHAGWQBX-UHFFFAOYSA-N 356.426 1.287 0 40 FDAB O=S(=O)(N1CCCC1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888878968 WXEZTCLYBVHCOH-ZDUSSCGKSA-N 352.460 1.395 0 40 FDAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1 1888906526 ITQCDMLMPSXIIK-AWEZNQCLSA-N 369.381 1.223 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nn1cnc2ccccc2c1=O 14604665 CEAKRFAMNYAPJK-UHFFFAOYSA-N 362.345 1.153 0 40 FDAB O=C(c1cccnc1O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037978124 BWGOZVUGOZOQHW-LJQANCHMSA-N 371.368 1.574 0 40 FDAB Cc1ncc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)cn1 2056224631 MUQAPMASUWKHQC-INIZCTEOSA-N 355.467 1.670 0 40 FDAB O=C(N1CCCC1)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225377 OZJSFCHULDKANQ-RDTXWAMCSA-N 362.451 1.397 0 40 FDAB Cc1cncc(CN2CCO[C@@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226074 JQJIECOIJXADJZ-AZUAARDMSA-N 374.485 1.594 0 40 FDAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccncc2n1 2087044645 OZSVACMQVFQQDU-UHFFFAOYSA-N 369.450 1.844 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@H]2O1 1565544171 WSVYYYXKCRZVHK-WCFLWFBJSA-N 366.368 1.466 0 40 FDAB O=C(N1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2)C1(F)CC1 1565544407 GZXKOZHILFCHLZ-LBPRGKRZSA-N 360.451 1.111 0 40 FDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)CC3(O)CCC3)C[C@H]1N(CC1CC1)C2 1565554090 JXOCUWSZFWSMNC-DLBZAZTESA-N 356.470 1.610 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)CCc1cncnc1)CC2 1565552321 ZSNBBEMCXIOONR-UHFFFAOYSA-N 354.410 1.527 0 40 FDAB O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1ccc(Cl)c(Cl)c1 4280200 RIVLJLXFAUIATB-GFCCVEGCSA-N 365.213 1.374 0 40 FDAB COCCCn1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4314324 YLSJXFIBIRNWFN-UHFFFAOYSA-N 361.446 1.459 0 40 FDAB COC(=O)[C@@](NS(C)(=O)=O)(c1c[nH]c2ccccc12)C(F)(F)F 4594383 UKJZQBADXBTKON-LBPRGKRZSA-N 350.318 1.648 0 40 FDAB O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1nccs1 11726735 IUYSYXQNIZKOAQ-UHFFFAOYSA-N 365.396 1.780 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cnccn2)C1 2055751101 IGQIZLINWVMEES-IBGZPJMESA-N 353.426 1.652 0 40 FDAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccnc2)CC1 40074489 KSWSZQLVLAERQM-UHFFFAOYSA-N 365.842 1.882 0 40 FDAB O=C(c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCCC1 2958842 AOCKBYFLTPKJCU-ZIAGYGMSSA-N 365.480 1.603 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 4999921 SHEUKDQWCXLKNE-UHFFFAOYSA-N 367.361 1.551 0 40 FDAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 7238789 UUTJXIIHPGDLME-UHFFFAOYSA-N 354.409 1.499 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 8489558 JIPAQBUUMUVERD-SECBINFHSA-N 360.336 1.420 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CC2)CC1 21558691 QHANDRGHHVBUHI-UHFFFAOYSA-N 350.484 1.896 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCOCC2)ccc1C 21539913 QBFPNQMMQSHYGJ-UHFFFAOYSA-N 369.487 1.296 0 40 FDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccn1 32843889 PEBFLJRWOJTQCB-OAHLLOKOSA-N 358.423 1.783 0 40 FDAB C[C@H](SCCO)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33045856 JPVVJZJNOJIDMF-ZDUSSCGKSA-N 372.512 1.914 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)S(C)(=O)=O 53411570 WKMDEOIDWQTQDF-LDYMZIIASA-N 362.245 1.822 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104088065 DNSPCGVCDOLRML-YXMPFFBPSA-N 368.437 1.974 0 40 FDAB C[C@@]1(NC(=O)c2ccc(OCc3cccnc3)cc2)CCS(=O)(=O)C1 23130482 WKTDAUDTWJLBDG-GOSISDBHSA-N 360.435 1.968 0 40 FDAB CCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(N2CCCC2)nc1 42497356 FOJJUHBWCOZQQN-CYBMUJFWSA-N 354.476 1.016 0 40 FDAB Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 958755 AAMLFONUCMGNEJ-UHFFFAOYSA-N 363.439 1.954 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)CCn1c(C)csc1=O 16498399 LUZKBWDZBLIEAT-UHFFFAOYSA-N 366.439 1.951 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2CCO)cc1 23640305 JZRGHWFEQCUHQC-IAGOWNOFSA-N 351.443 1.840 0 40 FDAB NS(=O)(=O)c1cccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 102988226 QDMZKUHQPQQZSP-CQSZACIVSA-N 363.370 1.217 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@H](C)C1 24986999 GMHFCJYPNIQJDL-KBPBESRZSA-N 362.474 1.352 0 40 FDAB O=C(O)[C@@H]1C[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1 107214483 JTEBZJMUURZZJR-ZFWWWQNUSA-N 356.419 1.528 0 40 FDAB O=C(NCCNc1ncccn1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 57061220 BGKMAUBZENDMKE-HNNXBMFYSA-N 368.441 1.949 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 22764146 KJYUUBMOPNNIFC-NWDGAFQWSA-N 356.410 1.895 0 40 FDAB CC[C@H](C)C(=O)NCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 58223367 UBPHNNUMPJZFHP-AWEZNQCLSA-N 352.479 1.335 0 40 FDAB C[C@@H](NC(=O)Cn1nc(C(N)=O)ccc1=O)c1ccc2ccccc2c1 58343889 UZJVBDBHODMWQE-GFCCVEGCSA-N 350.378 1.373 0 40 FDAB CCOC(=O)c1cc(NC(=O)c2ccc(=O)n(C)c2)cc(C(=O)OCC)c1 36396636 WYKHITDTLZAZSE-UHFFFAOYSA-N 372.377 1.991 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(Br)o1 3312925 KEUXGUZTEVJPAO-UHFFFAOYSA-N 362.176 1.658 0 40 FDAB CC(C)n1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10968162 FZAIGXNZOCMQJX-UHFFFAOYSA-N 372.816 1.983 0 40 FDAB COCC(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 48290826 XVHQAKPTYWWHRR-UHFFFAOYSA-N 362.398 1.414 0 40 FDAB CCNC(=O)NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8241517 GDNLZBBEGPNEBQ-UHFFFAOYSA-N 356.407 1.971 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2OC)C1 13135947 GJUIMXNTZLFGBV-NVXWUHKLSA-N 351.443 1.848 0 40 FDAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCS(=O)(=O)C1 39996881 LSJRSACXGDRKCS-AWEZNQCLSA-N 370.902 1.855 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F 65565288 HPSLQFDXAAQWLM-JOYOIKCWSA-N 364.439 1.943 0 40 FDAB CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1 14136983 ZKEMDMQLMBAWIT-GFCCVEGCSA-N 366.215 1.567 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 14245915 RMZJJMVEGHPDBT-LLVKDONJSA-N 371.411 1.198 0 40 FDAB COc1cc(CC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc(OC)c1OC 5475485 IQRVSURQXMZSAI-AWEZNQCLSA-N 368.386 1.018 0 40 FDAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ncc(Cl)cc1Cl 6585528 QWPJCUOMBZPJRF-LURJTMIESA-N 359.169 1.525 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nnc3ccccn23)c1 18124395 DIVCVZHDBFRQNU-UHFFFAOYSA-N 373.438 1.266 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(C)C 4682406 ZTSQAHTWRCIGRU-RDJZCZTQSA-N 372.421 1.935 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)c(OC)c1 8775282 JCLFGZVWILMNRX-CYBMUJFWSA-N 360.366 1.426 0 40 FDAB Cn1cc(C(=O)N2Cc3cncn3[C@H](COCc3ccncc3)C2)cn1 306133550 MPHFAOGDVGPTTM-KRWDZBQOSA-N 352.398 1.426 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2N)n1 18805569 ZTILABIUSQHZTH-ZWNOBZJWSA-N 363.491 1.581 0 40 FDAB COc1ccc(-c2cc(C(=O)NC[C@H](O)CO)c3ccccc3n2)cc1 9050814 FSOQAXZHLDEHRM-AWEZNQCLSA-N 352.390 1.993 0 40 FDAB C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCNC1=O 9316079 LWTPBQNVGPPWAZ-LBPRGKRZSA-N 368.393 1.458 0 40 FDAB CC(C)NC(=O)N1CC[C@]2(Cc3nnc(C(=O)NC4CCCCC4)n3C2)C1 306136426 PTAGUMOUDOMODB-IBGZPJMESA-N 374.489 1.707 0 40 FDAB CC(C)[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)N1CCCC1=O 71849917 DMUVDGUVDCMEOR-IBGZPJMESA-N 358.486 1.809 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)CC1 72403697 NIXYSLOGJJFUSR-UHFFFAOYSA-N 358.398 1.006 0 40 FDAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C)CCO 84637355 FYSWSIPLKQMAEE-OCCSQVGLSA-N 354.472 1.434 0 40 FDAB O=S1(=O)CCN(c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 79001694 WRJUALXFRUQVOP-UHFFFAOYSA-N 372.493 1.784 0 40 FDAB O=S(=O)(Nc1ccc(Cc2nnn[nH]2)cc1)c1c(F)cccc1F 79107978 MRKCUBRRDFOWLL-UHFFFAOYSA-N 351.338 1.870 0 40 FDAB O=C1C[C@H](C(=O)NC2(C(=O)O)Cc3ccccc3C2)c2ccc(F)cc2N1 95969961 HWRGDDPFMVKUQK-HNNXBMFYSA-N 368.364 1.990 0 40 FDAB CC(C)c1nc2cc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)ccc2o1 60295815 VHLCPQMKDHNAJY-UHFFFAOYSA-N 363.399 1.434 0 40 FDAB O=S1(=O)[C@H]2[C@H]3CN(Cc4ccncc4)C[C@@H](O3)[C@H]2CN1c1ccccc1 306124033 BDRMWUTVQOJJMU-NCXUSEDFSA-N 371.462 1.499 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)c1 524733741 LQERAZQLTBRTDA-CQSZACIVSA-N 356.411 1.712 0 40 FDAB Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 557089178 XDRRHFPUPGXXIK-UMVBOHGHSA-N 372.874 1.753 0 40 FDAB CCCN(CCC)S(=O)(=O)c1cncc(Br)c1NN 72210861 IJHOLJOSDSKTSD-UHFFFAOYSA-N 351.270 1.940 0 40 FDAB O=C(O)[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218500506 YIGHDHVYLNNDSZ-VYDXJSESSA-N 350.367 1.829 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](C)C2)cc1OC 223771242 YHWIUBYIKXLWHP-CYBMUJFWSA-N 370.471 1.583 0 40 FDAB O=C(O)c1cnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 226105101 JDJKNGDCSQSIHX-UHFFFAOYSA-N 363.395 1.538 0 40 FDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)NCc1ccccc1Cl 49546723 GKJVRXSQKNHCCU-UHFFFAOYSA-N 362.817 1.050 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 223294682 JLSZBQADEANJQV-UHFFFAOYSA-N 354.815 1.683 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 84460081 ISDWVUPBHPGSMC-XTDOFWJNSA-N 370.430 1.692 0 40 FDAB c1cc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)cs1 96052354 GADBELFIJSVHHF-QZTJIDSGSA-N 352.500 1.830 0 40 FDAB Cn1cc(CN2CC[C@@]3(CCCN(C(=O)Cc4cccnc4)C3)C2)cn1 96158214 KNUZQLPPROIOTR-FQEVSTJZSA-N 353.470 1.872 0 40 FDAB CCOC[C@H]1C[C@]2(COCCN2S(=O)(=O)c2ccc(OC)cc2)CO1 96240748 OQIFZUMVDSFQIU-WBVHZDCISA-N 371.455 1.280 0 40 FDAB O=C(Cn1cccn1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 618254212 QHRAXMRGGTWKAU-LLVKDONJSA-N 352.192 1.116 0 40 FDAB COc1cccc(S(=O)(=O)N2CCc3c(CN(C)C)nn(C)c3C2)c1 96084152 OFZWUUNOASIWMT-UHFFFAOYSA-N 364.471 1.237 0 40 FDAB Cc1cnc(N2CCOC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)nc1 96078301 VPZOUGKTRPJZLP-IBGZPJMESA-N 354.410 1.424 0 40 FDAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(Cc3ccc(F)cc3)[C@@H]2C1 96055411 SQMNWMAMUHQNIE-CGTJXYLNSA-N 350.434 1.910 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccco2)n(C)n1 248077304 ZNJNFPRTPKZIQE-HNNXBMFYSA-N 358.442 1.733 0 40 FDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 604381894 UCOQFORZKITCBF-QGZVFWFLSA-N 361.461 1.579 0 40 FDAB biogenic,in-vitro Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc2n1C 257311187 UIHZERLYEFAZEF-GUDVDZBRSA-N 372.469 1.178 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCO2 257249159 JHAKPMSQWHSJNJ-OAHLLOKOSA-N 355.394 1.988 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc[nH]n2)C1 257254566 KDQWVJHTJFRJCC-SFHVURJKSA-N 360.389 1.726 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2ccccc2C(=O)O)C1 257330464 XOODXRFIWHIDDN-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB Cn1nccc1CN1[C@H]2CC[C@H]1c1cnc(N3CCC[C@@H](O)C3)nc1C2 257366548 FVVLZLSMWGDHCD-JOQOYGCGSA-N 354.458 1.433 0 40 FDAB COc1cc(CN2CCCC[C@@H](O)C2)ccc1OCCN1CCOCC1 1138535077 YFVGEPZAIDDRQP-GOSISDBHSA-N 364.486 1.753 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 1629066371 XALMDRLIRJRYPM-INIZCTEOSA-N 371.418 1.892 0 40 FDAB Cc1noc([C@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@@H](C)O2)n1 628862677 YDHAMSMQTRDIQF-PSASIEDQSA-N 359.308 1.582 0 40 FDAB Cc1ccc(N2CCC(O)(CN(C)[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 585284527 SVIGUJHMYYWPKC-GOSISDBHSA-N 366.527 1.835 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]12 585108958 HYIFLWREHZHQIC-DLBZAZTESA-N 364.405 1.154 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)n1 585108276 MTPWLLLNDUDHHC-HRCADAONSA-N 357.414 1.047 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2(Oc3ccccc3)CC2)C1 685942623 PSZNSAQOGRVJCD-SQWLQELKSA-N 356.426 1.397 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(OCCO)CCSCC1 828765456 QQFQCOMNINGQBN-UHFFFAOYSA-N 363.476 1.687 0 40 FDAB Cc1onc(C(C)C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 12235081 SDMQZBIGDJDNKV-UHFFFAOYSA-N 371.441 1.932 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C(C)(C)C)c3ncccc23)C1 19016441 JIBWHXUMILGSSJ-CQSZACIVSA-N 357.458 1.929 0 40 FDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2)ccc1NC(=O)CN1CCCCC1 19570962 NNMBVWAQNGZQOD-HNNXBMFYSA-N 372.469 1.836 0 40 FDAB CN(Cc1c(C2CCCC2)[nH]c2ncccc12)[C@@H]1CS(=O)(=O)C[C@H]1O 19576507 RYTPYBVZVJDIRA-HZPDHXFCSA-N 363.483 1.810 0 40 FDAB CC(C)OCC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 19708691 GSWMXUYOCWLYPW-SFHVURJKSA-N 374.485 1.558 0 40 FDAB CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CCN(c1nnc(C)c3ccccc13)C2 19713609 OEEUNPHWXMUTCK-OXQOHEQNSA-N 367.453 1.502 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@H](C(=O)N2CCCCCC2)C1 19747141 YFNJCLJZQOBLDA-AWEZNQCLSA-N 366.487 1.734 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NC[C@@H]2CCCO2)Oc2ccc(Cl)cc21 19933570 BPZKPCNSCWOUBC-SMDDNHRTSA-N 374.846 1.162 0 40 FDAB CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3cccs3)C2)C1 1614931151 UINXDEMUBQMIEL-RUXDESIVSA-N 373.482 1.661 0 40 FDAB C[C@@]1(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)CC=CCC1 1142542752 WZSHWIDWTGXHNS-LJQANCHMSA-N 370.453 1.947 0 40 FDAB FC(F)(F)c1ccnc(N2C[C@@H]3[C@H](CCN3CCn3nccn3)C2)c1 2087122278 QBOJUMRIKDFXCH-TZMCWYRMSA-N 352.364 1.903 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O 1565551280 NZKLTQPKSDUJMM-KXBFYZLASA-N 364.392 1.885 0 40 FDAB Cc1nc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)cs1 1565550650 CZFFOAUTMCVKRB-HOTGVXAUSA-N 352.504 1.319 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc(F)ncc3F)CC[C@H]21 1565549257 OSLQZGJCKOCDRQ-HZPDHXFCSA-N 368.428 1.227 0 40 FDAB Cc1noc(CC(=O)N2CCCC3(CCN(c4cncnc4)CC3)C2)n1 1565556584 WILNNFJWQMFCBE-UHFFFAOYSA-N 356.430 1.620 0 40 FDAB CCOCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 9016245 KBKSJROSZFEJRY-UHFFFAOYSA-N 369.425 1.102 0 40 FDAB Cc1nnc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)s1 13702125 VSILILBDNHSEPS-UHFFFAOYSA-N 352.445 1.962 0 40 FDAB CC(C)C(=O)NC[C@@H]1N(C(=O)[C@@H]2CCOC2)CCCC12CCN(C)CC2 2055747549 GDSDMENEHUZOHP-SJORKVTESA-N 365.518 1.498 0 40 FDAB O=C(c1cccc(Cl)n1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 2055782097 KPDVQLJCORWQCX-RDTXWAMCSA-N 363.845 1.979 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cnccn2)CC1 2055750771 WYOXZJDIGVEIJH-UHFFFAOYSA-N 369.425 1.318 0 40 FDAB COCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907304 DDGJANUTPLHRTN-QGZVFWFLSA-N 371.437 1.258 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(C2CCOCC2)CC1 225565261 YYXLHMMLTWOYFY-UHFFFAOYSA-N 365.499 1.372 0 40 FDAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 585149396 OEKQVBKNJAZOML-AWEZNQCLSA-N 350.444 1.169 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3cnsn3)CC2)c1 618256718 LKVDSTBZOBKEBZ-UHFFFAOYSA-N 367.452 1.973 0 40 FDAB COCc1cccc(CNC(=O)Cn2cnc3ccc(F)cc3c2=O)c1 40114014 GRMPSQGXYLAVKD-UHFFFAOYSA-N 355.369 1.998 0 40 FDAB CN(CCCNC(=O)c1cccc(CS(C)(=O)=O)c1)CC(F)(F)F 40107499 AKGGCAAGRPODSX-UHFFFAOYSA-N 366.405 1.845 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CSCC(=O)N23)cc1 40146485 GTJJMDOYXVYCAY-LRDDRELGSA-N 366.464 1.819 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1035096 QVGWXYMJNIOSCP-UHFFFAOYSA-N 372.443 1.603 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)NCC1CCC(C(=O)O)CC1 2208138 CAAFKAGWYKKKAT-UHFFFAOYSA-N 372.425 1.579 0 40 FDAB O=C(Cc1cnc(-n2cccc2)s1)N1CCN(c2ncccn2)CC1 20745577 SWYKXRLHSQXXAZ-UHFFFAOYSA-N 354.439 1.615 0 40 FDAB C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(S(N)(=O)=O)cc1 7988549 UMMQIIOYWQMZTL-LBPRGKRZSA-N 371.422 1.406 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccccc1 32770795 QCMJXECXWJWTRP-AWEZNQCLSA-N 352.350 1.474 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(N2CCOCC2)nc1 21590701 DDACJYRKQXZGBT-UHFFFAOYSA-N 372.406 1.345 0 40 FDAB COc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OCC(N)=O 8112496 IWLMEMHIOPMSMD-UHFFFAOYSA-N 374.349 1.549 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 23224539 UAUQPMCSDNKUKU-LBPRGKRZSA-N 366.356 1.793 0 40 FDAB Cc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)c(C(C)(C)C)c1 27531052 DQHNEHZNQPUDAW-QGZVFWFLSA-N 350.503 1.642 0 40 FDAB Cc1cc([C@@H]2CCCN2C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)on1 47287660 BNIYWQTUJHZVSB-ZDUSSCGKSA-N 362.411 1.144 0 40 FDAB C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O 47359565 UKOBOBDEYXQLFL-KRWDZBQOSA-N 363.320 1.641 0 40 FDAB COc1cc(CNC(=O)c2cc(F)ccc2NS(C)(=O)=O)ccn1 25090014 IRRKVQVLYQFQKD-UHFFFAOYSA-N 353.375 1.531 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCc1cn2ccccc2n1 25526857 UDTPVFJBQSYTKC-UHFFFAOYSA-N 358.423 1.678 0 40 FDAB COc1ccc(N(C[C@H](O)CN(C)C)S(=O)(=O)c2ccccc2)cc1 1830328 AXEACZCNARDDAE-MRXNPFEDSA-N 364.467 1.813 0 40 FDAB Cn1c(=O)c2ccccc2n2c(Cn3cnc4ccccc4c3=O)nnc12 12534427 LFSDXDUHAJXBGA-UHFFFAOYSA-N 358.361 1.339 0 40 FDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 27266102 LPZUJFVNYGSFDL-XIKOKIGWSA-N 368.393 1.185 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12556294 DUNSIZDTYBQJRX-UHFFFAOYSA-N 372.450 1.765 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCCOC(C)C 28207539 ZJVZDHKHJVSPFI-UHFFFAOYSA-N 372.487 1.555 0 40 FDAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCN(C)CC1)S(C)(=O)=O 22873913 YHIKEKLTLCPISY-CYBMUJFWSA-N 373.906 1.577 0 40 FDAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@H]1CC(=O)N(c2ccccc2)C1 58283422 LXPFGLCLBHCCDN-CABCVRRESA-N 354.410 1.911 0 40 FDAB Cc1nc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2s1 10404155 XLQYOPPUDSQJDR-UHFFFAOYSA-N 354.395 1.687 0 40 FDAB NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 36392290 UYAYRAWDNHOVHZ-CQSZACIVSA-N 370.409 1.939 0 40 FDAB O=C1C[C@@H](C(=O)NCc2nnc3n2CCCCC3)c2ccc(F)cc2N1 48276202 MWLNCEAPIFQZMP-CYBMUJFWSA-N 357.389 1.886 0 40 FDAB C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc(O)nn2)C[C@@H](C)O1 48324470 ZTNFQLAVPGEXSZ-ZIAGYGMSSA-N 356.426 1.721 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O 12944639 WFKDOTJKHHFSET-KSSFIOAISA-N 358.446 1.057 0 40 FDAB Cc1ccc([C@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1C 12918506 QZKDBKYKJRNHCR-HNNXBMFYSA-N 351.410 1.923 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 4044310 PUMJNICRYBBUFL-OXJKWZBOSA-N 350.168 1.820 0 40 FDAB biogenic O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nc(-c2ccccc2)no1 13571750 KCTOFPSYHIMPDK-UHFFFAOYSA-N 361.361 1.832 0 40 FDAB CCOc1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccco2)n1 64155420 ICFCUXQQDBNMKN-UHFFFAOYSA-N 352.730 1.840 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)cc2oc1=O 9306694 LJUGQHYLPOFGBC-LBPRGKRZSA-N 363.391 1.216 0 40 FDAB Cc1ccc(C)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 5255833 CQXLUOBEGPYZJL-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 9305405 GOBKHDJLMXEOGX-UHFFFAOYSA-N 373.434 1.599 0 40 FDAB CCc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495848 KFXNUTNGAOTIIW-ZDUSSCGKSA-N 353.378 1.015 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cccc3cccnc23)CC1 14157889 DWEOEBBSKTUEQE-UHFFFAOYSA-N 354.454 1.907 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSC1=NCCS1 14187572 LVJQKYJFQQCPOG-UHFFFAOYSA-N 357.482 1.059 0 40 FDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 4548157 WMTHUIQIWIHZRH-UHFFFAOYSA-N 370.409 1.615 0 40 FDAB COc1ccc(COn2nnc3ccc(S(C)(=O)=O)cc32)cc1F 8936959 OFXKQVLNPOWOJQ-UHFFFAOYSA-N 351.359 1.611 0 40 FDAB Cc1ccsc1C(=O)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5458008 JOGMYWSGDDBDLB-LBPRGKRZSA-N 357.453 1.391 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1OC 5787986 PQHYHUKOTMKSAH-GFCCVEGCSA-N 352.412 1.678 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 6940416 FPJBFQZPCNERCS-UHFFFAOYSA-N 358.375 1.367 0 40 FDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCC2(O)CCCC2)C1 96000231 SMZZXWKYGCKJGW-MRXNPFEDSA-N 366.483 1.516 0 40 FDAB O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 8112962 MDJUMEMEIHFCKV-UHFFFAOYSA-N 373.844 1.599 0 40 FDAB COC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 9515330 IVQYPGJFSQRBHU-UHFFFAOYSA-N 369.424 1.432 0 40 FDAB COCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20462274 GHECPANCVNVYET-UHFFFAOYSA-N 354.472 1.769 0 40 FDAB NC(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)c(F)c1 72309702 PAQJDAJTATYHFV-UHFFFAOYSA-N 357.389 1.669 0 40 FDAB CNC(=O)Nc1cccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)c1 95958562 GKULUNSOECXEEH-UHFFFAOYSA-N 368.441 1.837 0 40 FDAB Cc1nnc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)o1 95944006 MWZBCTJNHJNVGU-UHFFFAOYSA-N 372.472 1.945 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 20458531 WQOZZLHDGCYCMA-GFCCVEGCSA-N 371.459 1.161 0 40 FDAB CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccsc1 27365990 ZLDQTQYLTWYHOE-UHFFFAOYSA-N 365.480 1.417 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(C(=O)C1CC1)C2)c1ccccc1 306141779 WGHBSCSNYPQUMW-JXFKEZNVSA-N 365.437 1.782 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1N1CCOCC1 217580824 GAAAOQDDOGQTDO-UHFFFAOYSA-N 368.455 1.832 0 40 FDAB CC(C)(O)C(=O)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353584 IMJHPDNKNQIMED-MRXNPFEDSA-N 354.454 1.755 0 40 FDAB CN(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 49876241 UBOLMPMVKIYNSI-UHFFFAOYSA-N 359.407 1.292 0 40 FDAB COc1ccc(CCS(=O)(=O)NC[C@@]2(O)CCc3ccccc32)cc1 75155740 ARFDJIWSARJZQF-IBGZPJMESA-N 361.463 1.991 0 40 FDAB C[C@H]1CN(c2ccc(NC(=O)c3ccc(C(N)=O)nc3)cn2)C[C@@H](C)O1 527263989 BBFBEZJWIWRYAZ-TXEJJXNPSA-N 355.398 1.441 0 40 FDAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 224930659 AFKSRSUTQFYDMC-UHFFFAOYSA-N 356.429 1.942 0 40 FDAB CCOc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1OC 95534269 RMLPPSZHRGCYOO-QGZVFWFLSA-N 361.446 1.135 0 40 FDAB Cc1ccccc1-n1cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)nn1 584153437 NVWGUMWBCCHDRQ-GOSISDBHSA-N 368.485 1.362 0 40 FDAB COCC(=O)NCC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247851204 RPGBEBAPHKUQHB-HNNXBMFYSA-N 372.425 1.321 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)n1 247878295 PYDVDVDVOIHDQB-SFHVURJKSA-N 359.470 1.762 0 40 FDAB CCN(CC)CC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257263530 LQJFDYWXTLBIOD-QGZVFWFLSA-N 370.457 1.857 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257319023 VQJFQZPASBCLFE-GOSISDBHSA-N 359.430 1.114 0 40 FDAB Cn1c(CN2CCOC[C@@H](Cc3cc(O)ncn3)C2)nc2ccccc21 257334997 YIFSBNLEYAIHIA-AWEZNQCLSA-N 353.426 1.760 0 40 FDAB O=C(c1cccc(O)n1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257292290 QKUTZBOESQQFSN-IRXDYDNUSA-N 367.405 1.082 0 40 FDAB Cc1cc(C)n(CC(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)n1 257216647 CVMXJYQGDJTUEL-LJQANCHMSA-N 357.458 1.385 0 40 FDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 257286899 PNOSANVAJHQNIM-AWEZNQCLSA-N 350.448 1.096 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 257260571 LDKWQHHSPGFNTG-FQEVSTJZSA-N 352.438 1.727 0 40 FDAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCCN)C2)c2cnccc2n1 257337847 YURANJSIHNYTPO-IBGZPJMESA-N 357.458 1.125 0 40 FDAB Cc1nc(O)nc(O)c1CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257214849 CNRQPHFPPISNSM-HOTGVXAUSA-N 363.389 1.740 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)C1CCOCC1)C2 257241579 HYPCVQXVWLMCSC-SBHAEUEKSA-N 371.481 1.481 0 40 FDAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2C(=O)CNC2=O)CC1 253398235 GSUVEEBRCYGOHG-UHFFFAOYSA-N 355.316 1.862 0 40 FDAB CN(C)Cc1cnc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)[nH]1 257343009 ZRBDHWNXZCPZFH-QGZVFWFLSA-N 358.442 1.840 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1 274989446 MMHAHEXQZRQBRA-UHFFFAOYSA-N 355.412 1.439 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2nnc3n2CCOCC3)c1C 1775960923 URJSBIIGUMAJOL-ZDUSSCGKSA-N 373.457 1.702 0 40 FDAB CSC[C@](C)(O)CNc1ncnc(NC[C@@](C)(O)CSC)c1C 596134089 DFBDZDJSPLSNIF-HUUCEWRRSA-N 360.549 1.837 0 40 FDAB Cc1cc2occ(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)c2cc1C 643433236 UJTRVFHNFAZGRX-ZDUSSCGKSA-N 351.380 1.373 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cc(C(F)(F)F)ccn1 644493351 RPUSOEUPJYSPFX-CYBMUJFWSA-N 359.348 1.133 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccnc1-c1ncccn1 96099072 UVEIJJOTGGULCE-UHFFFAOYSA-N 364.365 1.064 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 585123250 LPOAWZFCCAEMLB-AWEZNQCLSA-N 371.507 1.010 0 40 FDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CC2CC2)CCO1 585283283 MUIJJINBRZRQPE-GOSISDBHSA-N 350.390 1.478 0 40 FDAB Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNc2ccc(C(F)(F)F)cn2)C1 685941159 UARITCWPTWJOJR-IQJOONFLSA-N 357.336 1.901 0 40 FDAB Cc1cc(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)[nH]n1 66857821 JBQVJTJZODTTJQ-UHFFFAOYSA-N 367.453 1.455 0 40 FDAB Cc1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 502158266 ZONXVFGKTBYJMA-QZTJIDSGSA-N 367.453 1.943 0 40 FDAB CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 95960997 UZHRWOUSQXYNOR-WCQYABFASA-N 353.444 1.358 0 40 FDAB O=C(O)[C@H](C1CC1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 635015923 IKTJPZKNKRUMGQ-MOPGFXCFSA-N 371.481 1.658 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCCC3)nc12 12117695 WLFRGAURNWHKAF-UHFFFAOYSA-N 371.441 1.500 0 40 FDAB CCC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 14398049 COHDESXBISNQLE-CYBMUJFWSA-N 370.471 1.919 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 19237988 QESFRBVKZVLHQK-CXAGYDPISA-N 354.458 1.627 0 40 FDAB O=C(CCn1cnnn1)N1CCc2nc(-c3ccc(F)cc3)sc2C1 19719738 RVJWMHKZBGPQSK-UHFFFAOYSA-N 358.402 1.911 0 40 FDAB C[C@@H]1CCCCN1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 2633887 ITGBPFLUTMWQLQ-CQSZACIVSA-N 370.453 1.235 0 40 FDAB Cc1nc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)cc(C(F)(F)F)n1 1888888509 OANHZAFPKXUGRL-LLVKDONJSA-N 359.396 1.839 0 40 FDAB NC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1Cc1ccccc1 1848353590 LXYPFRQOXVBQLO-LJQANCHMSA-N 369.440 1.957 0 40 FDAB Cc1ccc(-c2nnc([C@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)o2)cc1 26434095 ZMWRJCXDGMCOKU-NSHDSACASA-N 372.381 1.980 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1cnn(-c2ccccc2C)c1C1CC1 31523620 VGTBQSWVDMHZFH-UHFFFAOYSA-N 356.382 1.671 0 40 FDAB COC1(CC(=O)N2CCn3c(CNc4cccnc4)nnc3C2)CCC1 1565556367 FJULUFNYHKQQSL-UHFFFAOYSA-N 356.430 1.587 0 40 FDAB Cc1cncc(CN2C[C@H](C(=O)NCc3ccon3)C3(CCOCC3)C2)n1 1565543518 KDEQWBBSHQVGQK-QGZVFWFLSA-N 371.441 1.318 0 40 FDAB O=C(c1csnn1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565546447 BNASBAPMKTXLQZ-UHFFFAOYSA-N 359.455 1.440 0 40 FDAB COC(=O)C1=C(CSc2ncnn2C)NC(=O)N[C@@H]1c1ccccc1C 5018393 BSSCEPBOSAKIRH-CQSZACIVSA-N 373.438 1.697 0 40 FDAB C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@@H](C)O1 12471786 MAIPWJZZMHFUMM-PHIMTYICSA-N 366.487 1.959 0 40 FDAB C[C@H](c1ccccc1)n1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 23115310 WESUXQVXSJSQCN-CYBMUJFWSA-N 353.426 1.643 0 40 FDAB CCN1CCN(C(=O)NC[C@H](c2ccco2)n2nc(C)cc2C)C(=O)C1=O 585148053 BCQLZNUSWZOSNZ-CQSZACIVSA-N 373.413 1.083 0 40 FDAB COCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19592774 LGLVNRVUTDTNBZ-GFCCVEGCSA-N 360.389 1.661 0 40 FDAB COc1ccc2c(CC(=O)N3CCCN(S(C)(=O)=O)CC3)coc2c1 24776107 UIDWZVLYDWGMLJ-UHFFFAOYSA-N 366.439 1.478 0 40 FDAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)n1 40050138 LFQZWQZJEMUOBJ-CQSZACIVSA-N 371.507 1.431 0 40 FDAB CN(C)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cn1 40034436 ZJNQMGGNXPHULP-UHFFFAOYSA-N 359.430 1.683 0 40 FDAB CCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)c1 31668495 NGWYHAGQGVYCAY-UHFFFAOYSA-N 364.427 1.534 0 40 FDAB Cc1c(O[C@H](C)C(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2405792 HDWIAEVHEYFOPK-LLVKDONJSA-N 359.378 1.948 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101002223 OUSSJXBSQFYHGD-KOLCDFICSA-N 350.718 1.114 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(NS(C)(=O)=O)CC1 11717920 PXUKKKDQHFQTCD-CYBMUJFWSA-N 365.499 1.516 0 40 FDAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 6879911 IONLOJWHDVMFMO-HNNXBMFYSA-N 373.453 1.567 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 8091907 XTQHWJCBDGWZNW-UHFFFAOYSA-N 368.842 1.943 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796678 OXUZJLANHHSKDV-UHFFFAOYSA-N 363.377 1.898 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 103059335 RVKUQAVFGAMYNL-GWOFURMSSA-N 364.475 1.384 0 40 FDAB COCCOc1ncccc1C(=O)Nc1cccc(N2CCNC2=O)c1 53056189 GBOGDFNIBCGFEY-UHFFFAOYSA-N 356.382 1.889 0 40 FDAB Cc1ccc(NC(=O)c2cnn3c(O)cc([C@@H]4CC(=O)N(C)C4)nc23)cc1 100775555 GPIQLNMOVUEQBQ-GFCCVEGCSA-N 365.393 1.941 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 7983074 VEAQFDILPWVXHB-GOSISDBHSA-N 359.382 1.507 0 40 FDAB CCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OC 8514709 HMQWCGMZBAXDCT-UHFFFAOYSA-N 365.249 1.262 0 40 FDAB COc1cc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)ccc1OC(F)F 1460549 DUYMVGMDJYENNR-LBPRGKRZSA-N 351.313 1.662 0 40 FDAB CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(=O)c2cc(OC)ccc21 22235897 HIWPXERZYUTBDN-UHFFFAOYSA-N 357.410 1.368 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 58190903 HCVBLWGIQUNQGH-CYBMUJFWSA-N 365.455 1.008 0 40 FDAB C[C@@H](NC(=O)c1cnn[nH]1)c1cc2c(cc1Br)OCCO2 58218281 DBWAGQXTDDDNDK-SSDOTTSWSA-N 353.176 1.829 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NC)c2ccccc21 58281448 DCZSFMUPCDHQBA-KCQAQPDRSA-N 360.458 1.739 0 40 FDAB CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 3247772 DZFIZIPCRBLHGP-UHFFFAOYSA-N 355.489 1.801 0 40 FDAB COc1cccc(C(=O)N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1 48236602 HDFJSDTZOTYEDY-UHFFFAOYSA-N 354.410 1.894 0 40 FDAB O=C(CN1CCN(C(=O)Cc2cccc3ccccc23)CC1)NC1CC1 12982075 ONEXMJKMVZRSGI-UHFFFAOYSA-N 351.450 1.805 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12981689 KPQHXGMMDMSOKR-UONOGXRCSA-N 369.473 1.932 0 40 FDAB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1ccc2c(c1)OCCO2 22011840 DGVRYWWFIHCDAF-UHFFFAOYSA-N 368.437 1.609 0 40 FDAB COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059819 GLERFSOQVWADCD-CQSZACIVSA-N 366.425 1.894 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1c(=O)oc2ccccc21 8313866 DMKOEZMYSXEYCL-UHFFFAOYSA-N 357.341 1.831 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1)c1ccccc1 13724462 YWZLLPYBBGSNMA-AWEZNQCLSA-N 372.450 1.750 0 40 FDAB Cc1c(NC(=O)Cn2nnc3ccccc32)c(=O)n(-c2ccccc2)n1C 5109876 VAPGDJBYJYGGCD-UHFFFAOYSA-N 362.393 1.868 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)s1 14093596 WZNIIRRAOODYIL-RFAUZJTJSA-N 351.432 1.540 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1 14163629 WOWULBIBYOKJQJ-UHFFFAOYSA-N 351.472 1.954 0 40 FDAB O=C([C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1)N1CCOCC1 14165703 AZPGMGYOIPPOKS-LBPRGKRZSA-N 374.409 1.224 0 40 FDAB Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)N1CCOCC1 21152532 OQRRGBCLIDXDJE-KRWDZBQOSA-N 361.417 1.733 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2nnc(-c3ccccc3)o2)n(C)c1=O 6561649 QGADXSWXGLUFLU-UHFFFAOYSA-N 372.772 1.185 0 40 FDAB O=C1C[C@H](C(=O)NCc2cccnc2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088358 RAHZGDBFKJCMAQ-KBXCAEBGSA-N 354.362 1.773 0 40 FDAB Nc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)Nc1ccccc1 65154609 VYRQQNLQYKVPPV-UHFFFAOYSA-N 355.398 1.654 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(OC)c2)c2ccccc2O1 7252780 OTEWDTQFUUJEAO-KRWDZBQOSA-N 355.394 1.647 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)NCCCc2ccccc2)c2ccccc2O1 7253200 OHZDOEFRCMUYNX-IBGZPJMESA-N 367.449 1.749 0 40 FDAB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 16051082 ZKDGSNOLRICWTG-GJZGRUSLSA-N 372.421 1.960 0 40 FDAB COC(=O)CNC(=O)Cc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1 9184349 KCBLHGQBYIGTGI-UHFFFAOYSA-N 367.409 1.164 0 40 FDAB COc1cccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1 9172621 HJUMOQDLKUVUJN-UHFFFAOYSA-N 354.366 1.802 0 40 FDAB O=S(=O)(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 96005052 CRCPNKVUERZJFM-OAHLLOKOSA-N 373.500 1.097 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@H]1C(N)=O 9365584 OFLZDOUGXFFCID-INIZCTEOSA-N 355.442 1.767 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 9482019 IYIXEUJXLKZZFW-ZDUSSCGKSA-N 365.455 1.324 0 40 FDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC(=O)NCc1ccccc1 9501091 LHXHVXWHSLQFAJ-UHFFFAOYSA-N 357.410 1.722 0 40 FDAB CCCc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(OC)cc1 9879976 RKZXCLDSZYTKJA-UHFFFAOYSA-N 363.399 1.592 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1=O 75835529 IDXGITKEQKXTRT-OAHLLOKOSA-N 358.442 1.098 0 40 FDAB O=C(Nc1ccc(C(F)(F)F)nn1)C(=O)N[C@H]1COc2ccccc21 97117587 UKLGMGDPTCUCLS-VIFPVBQESA-N 352.272 1.684 0 40 FDAB CNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 72633554 GOCSWXKUPOEQFQ-OAHLLOKOSA-N 361.486 1.642 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 95458058 DXOOLYZEVKNUMO-QGZVFWFLSA-N 365.499 1.534 0 40 FDAB O=C(O)CC1(NC(=O)CCCn2nnc(-c3ccccc3)n2)CCOCC1 95970221 CSDJNOHMWRSMQD-UHFFFAOYSA-N 373.413 1.260 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2cc3ccccc3nc2N2CCCC2)CCO1 95957359 SCWQHJJVHPURQK-MRXNPFEDSA-N 354.410 1.161 0 40 FDAB CN1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 22594010 CMYYWANBRPMTNA-LLVKDONJSA-N 365.218 1.714 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1 306125700 CYWQPCQHQHLQMI-CQSZACIVSA-N 373.482 1.546 0 40 FDAB C[C@H]1c2nc(C(=O)NCC3CCC3)cn2CCN1c1ccc2nncn2n1 306142876 XNCFFTFKIGMUSI-LBPRGKRZSA-N 366.429 1.432 0 40 FDAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O 60389593 UYEORVCAWBSLTF-YPMHNXCESA-N 352.818 1.997 0 40 FDAB CN1CCc2ccc(NC(=O)c3cn(C)nc3-c3cnn(C)c3)cc2C1=O 548043125 QVPAGKGFPGTVTR-UHFFFAOYSA-N 364.409 1.701 0 40 FDAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182827 MTVAINAHAGJJBP-UHFFFAOYSA-N 362.820 1.959 0 40 FDAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COC)C3)n2)s1 72382531 YIFRQNMUJMCOQM-LLVKDONJSA-N 362.459 1.905 0 40 FDAB C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1 1526235770 NHOAHFBFWQNCMJ-INIZCTEOSA-N 364.467 1.528 0 40 FDAB O=C(O)CN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)C1CCOCC1 531748230 VMWCLZWECPGCGT-AWEZNQCLSA-N 360.410 1.670 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)o3)C2=O)o1 35375272 FTGJJEMNWXVKSC-WQLSENKSSA-N 359.338 1.818 0 40 FDAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCOCC1)C2=O 39570362 MTXORXYYRJSBIS-UHFFFAOYSA-N 351.447 1.372 0 40 FDAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217424814 MJZXXJZGIHJLAN-CYBMUJFWSA-N 356.444 1.910 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218343958 NKMNXJBMAUHNCF-OLZOCXBDSA-N 358.387 1.449 0 40 FDAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)ncc1C(N)=O 72345409 QUOVBNGVZPWSRZ-HNNXBMFYSA-N 358.373 1.766 0 40 FDAB CC(=O)N1CCN(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)CC1 47619978 RDVIYQFLVVGRHZ-UHFFFAOYSA-N 360.435 1.304 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(OC)c1 223297671 IMCRQJOBQLSELH-UHFFFAOYSA-N 366.395 1.369 0 40 FDAB COCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 225980114 KHBAVLWWTCDEHB-UHFFFAOYSA-N 362.451 1.817 0 40 FDAB C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 45857304 BXFKFOFKZAYQQN-ZDUSSCGKSA-N 354.472 1.798 0 40 FDAB C[C@H](Cc1ccco1)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 96116259 AZDLOEAVJLWCCN-MLGOLLRUSA-N 355.394 1.858 0 40 FDAB biogenic COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3cccnc3)cc12 94993026 WTGFXRAXJFHBPN-UHFFFAOYSA-N 368.393 1.740 0 40 FDAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc2n1CCCCC2 580145777 DBDJEFGLAJPPHP-CHWSQXEVSA-N 369.491 1.160 0 40 FDAB COCCN1CC2(CCN(C(=O)Cc3ccco3)CC2)C[C@H]1COC 96220766 HKCNJAOGRVDGBM-INIZCTEOSA-N 350.459 1.798 0 40 FDAB Cc1cccc(CN2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)n1 96225606 ITMVUTGISRXNKM-LPHOPBHVSA-N 358.442 1.406 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 96207760 IDWHYQDGSXZTCR-PBHICJAKSA-N 350.488 1.705 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@H]1CCCc2ccccc21 245284703 UDICIPZKIVPQEI-LVGQOLGVSA-N 350.418 1.987 0 40 FDAB CCc1cc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C(C)=O)no1 257278733 ODKSGWVAYPDXJD-MRXNPFEDSA-N 357.414 1.949 0 40 FDAB O=C(CCn1ccc(O)nc1=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 253535633 AKFDHSVENWQVLM-HDJSIYSDSA-N 358.398 1.240 0 40 FDAB Cn1cncc1-c1cncc(CC2CCN(C(=O)c3cnccn3)CC2)n1 257230523 GCSKTSLXBOZMBC-UHFFFAOYSA-N 363.425 1.762 0 40 FDAB O=C(O)c1ccc(N/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 256028178 XVELWHSIIFQFQP-LCYFTJDESA-N 365.374 1.480 0 40 FDAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)Cc1ccc2c(c1)CCO2 1615546834 IDHJBMJYIFBSIE-BQFCYCMXSA-N 356.422 1.201 0 40 FDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(=O)O)cc2F)C1 578328715 GIPCQVXKTARIOJ-ZDUSSCGKSA-N 374.434 1.159 0 40 FDAB O=C(Cn1ccccc1=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108779 CQVANSQVIADGNB-ABSDTBQOSA-N 369.421 1.219 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@@H](O)C1)C2 585104593 QVRYFAQCVALUAI-QZTJIDSGSA-N 360.454 1.470 0 40 FDAB CCN1Cc2ccccc2CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1=O 585105727 HLFSDCGCFDFKOV-UHFFFAOYSA-N 369.465 1.466 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCCN2CC(=O)N(C)C)CC1 585100506 LNKUZPZYRAYIFD-LJQANCHMSA-N 362.474 1.840 0 40 FDAB Cn1nnc2c1CC[C@H](NC(=O)NCCc1ccc(-n3cccn3)cc1)C2 585090785 IRDFCPJRPCQGGC-HNNXBMFYSA-N 365.441 1.400 0 40 FDAB O=C(CC(F)(F)F)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53743682 MNNOUDYXEAGKSX-UHFFFAOYSA-N 361.339 1.933 0 40 FDAB Cn1cnc([C@@H]2CN(Cc3nc(C4CC4)no3)C[C@H]2C(=O)NC2CC2)c1 1614995467 AGGJERMHLCEHNS-ZIAGYGMSSA-N 356.430 1.175 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC2CCC(F)(F)CC2)nn1 1549160922 IILKKDPCQBKQTK-GZBFAFLISA-N 358.433 1.871 0 40 FDAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 3407368 VHRWUZGKLNKWGR-RMKNXTFCSA-N 364.379 1.431 0 40 FDAB O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(-n2cnnn2)c1 11218588 QOZAZBBNPAQXDQ-UHFFFAOYSA-N 362.353 1.679 0 40 FDAB CS(=O)(=O)Nc1cc(-c2ccc(F)cc2)nn1[C@H]1CCS(=O)(=O)C1 11795947 JDXLMKYQHFBEPO-LBPRGKRZSA-N 373.431 1.420 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@@H]3C)nc12 12117689 HTRGKUPYJKCMSL-AWEZNQCLSA-N 371.441 1.498 0 40 FDAB C[C@@H](C(=O)NCCCN1CCCc2ccccc21)N1C(=O)NC(C)(C)C1=O 12148397 OUNDQQYFDZFJHJ-AWEZNQCLSA-N 372.469 1.664 0 40 FDAB CN(C)c1ncc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cn1 12325854 AJYSUKYLUJDPRG-UHFFFAOYSA-N 365.441 1.727 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cc(C)no2)C1 19119752 LPMMGQMSTBOHLW-IBGZPJMESA-N 355.394 1.953 0 40 FDAB CN1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3)ncc2C1 19590591 LZLRCKQBSCZDPZ-QGZVFWFLSA-N 358.467 1.990 0 40 FDAB CCc1nc(N2C[C@H]3CN(c4nc(C)ns4)C[C@@H]3C2)nc(O)c1F 1888854012 RUELRONENKTAKD-UWVGGRQHSA-N 350.423 1.616 0 40 FDAB Cn1ccnc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839965 GUSCPJJAHUJSNU-GOSISDBHSA-N 358.373 1.207 0 40 FDAB CC(=O)N1CC[C@H]2CC[C@@H](CNCc3ccccc31)N2S(C)(=O)=O 2037912851 VQJSHLNKJWYEIS-CVEARBPZSA-N 351.472 1.325 0 40 FDAB CC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1 4061423 QJYYOOLQMCASAW-UHFFFAOYSA-N 361.402 1.874 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cccn1C 11898918 CNOISJQHKLGAQP-OAHLLOKOSA-N 372.425 1.154 0 40 FDAB O=S(=O)(CCOc1ccccc1)NCCn1ccnc1-c1cnccn1 575610908 ZZLGKKBOWCPOTM-UHFFFAOYSA-N 373.438 1.339 0 40 FDAB Cn1cc(CC(=O)NCc2nc(-c3ccc[nH]c3=O)no2)c2ccccc21 225803445 UEZRMXSCZLEOSX-UHFFFAOYSA-N 363.377 1.776 0 40 FDAB COc1ccc(CC(=O)N2CCN(Cc3cccnc3)CC2)c(OC)c1 40033948 PRJODTYWYKJXRH-UHFFFAOYSA-N 355.438 1.986 0 40 FDAB O=C(NCCN1CCCCCC1)c1ccc(S(=O)(=O)NC2CC2)o1 40154023 QIOYMETXWGAWHR-UHFFFAOYSA-N 355.460 1.326 0 40 FDAB CN1CCO[C@@H](C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)C1 81329215 JCIAPDBOTLGNBB-OAHLLOKOSA-N 364.833 1.465 0 40 FDAB CCc1nccn1CC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1848663964 KFSZTQBKHIMRQT-UHFFFAOYSA-N 363.439 1.537 0 40 FDAB COCCn1c(C(=O)Nc2ccccc2F)cc2c(=O)n(C)c(=O)n(C)c21 11835607 CECKCXGFKXABJP-UHFFFAOYSA-N 374.372 1.077 0 40 FDAB CCn1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n(CC)c1=O 20611134 ULHVYIOHFCAFRF-MRXNPFEDSA-N 354.410 1.472 0 40 FDAB biogenic Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COP(=O)(O)O)C3)c2n1 6585575 YQBOXVWMECPEJS-SCZZXKLOSA-N 366.318 1.209 0 40 FDAB in-vitro O=C(Cc1ccccc1)Nc1nnc(S(=O)(=O)N2CCCC2)s1 6817892 ZKMKHZUAKPPCOC-UHFFFAOYSA-N 352.441 1.504 0 40 FDAB Cc1nn(CCCNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Cl 6921007 KPSPKXULKTWTAU-VOAKCMCISA-N 355.822 1.538 0 40 FDAB O=c1cc(C2CCC2)ncn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 89704394 KHAXEJLAQKUQDM-UHFFFAOYSA-N 363.439 1.937 0 40 FDAB CC(C)(CNC(=O)CSc1nncc2ccccc12)N1CCOCC1 32754634 AZVBCCWBUDZMOI-UHFFFAOYSA-N 360.483 1.949 0 40 FDAB O=S(=O)(c1cccnc1)N1CCN(Cc2ccncc2Cl)CC1 81659672 PSJANUGBQPIZBQ-UHFFFAOYSA-N 352.847 1.637 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1ncc3ccccc3c1=O)C[C@H]2O 32923161 CDCVDAUGDYEQES-MRXNPFEDSA-N 367.405 1.920 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102804566 AHVYHYNUTQFHDT-GASCZTMLSA-N 372.421 1.661 0 40 FDAB CC1(C)NC(=O)N(CCCN2CCNC(=O)C[C@@H]2c2ccccc2)C1=O 52835455 SVDFUZPSVOVSRC-OAHLLOKOSA-N 358.442 1.270 0 40 FDAB COC(=O)COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1 12296509 FSOHHYSOXSUKBB-UHFFFAOYSA-N 368.345 1.975 0 40 FDAB biogenic Cc1cc(Cl)ccc1O[C@H](C)C(=O)O[C@H](C)C(=O)N1CCNC1=O 22652028 TZUGRVUPCIBQEM-GHMZBOCLSA-N 354.790 1.899 0 40 FDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1ccccc1Br 53778816 SMPANPJVEOQIPM-UHFFFAOYSA-N 351.252 1.914 0 40 FDAB CCCCc1c(C)nc2nc(SCCN3C(=O)CNC3=O)nn2c1C 53841742 FFVWUCIIJZLPLZ-UHFFFAOYSA-N 362.459 1.728 0 40 FDAB O=C(CN1CCN(CCc2ccccc2)CC1)NC(=O)NC1CCCC1 23249097 GWGXPADEWKCEFU-UHFFFAOYSA-N 358.486 1.615 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cnc21 104705147 VQBNORJZLPWQMQ-ZJQBRPOHSA-N 356.426 1.659 0 40 FDAB COC(=O)CNC(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 24222860 BLHSVTKMUNCEEY-UHFFFAOYSA-N 373.384 1.457 0 40 FDAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCCCC1)c1cccc(F)c1 12525132 CGOQTBHMYYAMEF-HNNXBMFYSA-N 352.435 1.969 0 40 FDAB CN(CCCNC(=O)C1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 25553216 GDXMNORKENHEID-UHFFFAOYSA-N 367.515 1.296 0 40 FDAB O=C(Nc1nc(C2CC2)cs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 43650714 ZYPJYEVNVSQMPX-ZDUSSCGKSA-N 350.444 1.876 0 40 FDAB COCCNC(=O)C1CCN(CC(=O)N2CCc3sccc3C2)CC1 25817519 ALIWQBGIUOFRSW-UHFFFAOYSA-N 365.499 1.107 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 57525705 ZMHMDARVEGSJEO-UHFFFAOYSA-N 366.377 1.297 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 58197948 VINBCIPCXJKTOL-UHFFFAOYSA-N 371.528 1.197 0 40 FDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccccc1O 58423487 RWXOPPUQTIHGIQ-GOSISDBHSA-N 365.389 1.806 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 81700958 MKQVRVKGQWLMMC-VQIMIIECSA-N 354.406 1.590 0 40 FDAB CCOC(=O)CN(CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 36435382 BHGLFZZOXDBNHQ-RDTXWAMCSA-N 353.463 1.966 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@H]2NCc1n[nH]c(=O)c2ccccc12 20528521 ZVXUEVUWMJTANM-GOSISDBHSA-N 367.361 1.899 0 40 FDAB COCCOc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 48367321 DRWGMSRQIMSHCM-DYVFJYSZSA-N 365.455 1.177 0 40 FDAB CCCCN(C(=O)c1cccc(C)n1)c1c(N)n(CCC)c(=O)[nH]c1=O 12853594 WERXVELEZFVJFU-UHFFFAOYSA-N 359.430 1.679 0 40 FDAB O=C(c1ccccc1-n1cnnn1)N1CCN(CCc2ccccc2)CC1 12812191 IKRJSMXYEIERBY-UHFFFAOYSA-N 362.437 1.663 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1ccco1 13691235 QXABZIHOMCRQML-UHFFFAOYSA-N 353.378 1.673 0 40 FDAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)N1CCOCC1 5016307 QWCQSPLCWYFNMI-UHFFFAOYSA-N 355.423 1.766 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 6286906 HZNLLVGHKYHIHT-UHFFFAOYSA-N 353.425 1.657 0 40 FDAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 39998337 OVSVNRJKDXKORI-CYBMUJFWSA-N 364.423 1.787 0 40 FDAB CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCC(=O)O 5269018 TVLHTDPAMGVQLM-HNNXBMFYSA-N 365.817 1.787 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(NS(C)(=O)=O)CC2)c1C 14075142 IFYVHLYBYYHQNE-LBPRGKRZSA-N 369.487 1.419 0 40 FDAB O=C1CSc2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2N1 14094016 WGMFEABNSSKTDD-UHFFFAOYSA-N 357.439 1.979 0 40 FDAB Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cn1 14182114 VKATWNXJXQTCOH-UHFFFAOYSA-N 368.846 1.220 0 40 FDAB Cc1cc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)n2ncnc2n1 14248894 UBASYHYSTJWAFI-UHFFFAOYSA-N 350.426 1.690 0 40 FDAB COC(=O)CC[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)OC 6623996 YPXFRWWJMAZFLV-HNNXBMFYSA-N 361.398 1.504 0 40 FDAB biogenic COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Cl)c1 4855321 NNKCTWSBPSKOIA-LBPRGKRZSA-N 363.753 1.653 0 40 FDAB CN(CC(=O)NCCc1cccs1)S(=O)(=O)c1ccc(F)cc1 17909449 UAWYXWIEGGANKQ-UHFFFAOYSA-N 356.444 1.867 0 40 FDAB C[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 18049128 JBMITGRVLGIEJZ-OAHLLOKOSA-N 356.426 1.689 0 40 FDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnn(-c2ccccc2)n1 8735080 MOBVBNBJKDVPOW-MRXNPFEDSA-N 366.377 1.487 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 96006990 ALSUULAGVLGWPL-ZBFHGGJFSA-N 357.454 1.803 0 40 FDAB Cc1oc([C@H](O)[C@H](O)[C@H](O)CO)cc1C(=O)OCc1ccc(Cl)cc1 9458034 ZZHUOAPJSCRHRZ-BMFZPTHFSA-N 370.785 1.346 0 40 FDAB CC(C)[C@@H](OC(=O)c1ccc2c(c1)COC2)C(=O)N1CCC(C(N)=O)CC1 84370688 STWRQCKEPQBSMS-QGZVFWFLSA-N 374.437 1.622 0 40 FDAB CN1CCN([C@@H](C(=O)N2CCC(CCC(N)=O)CC2)c2ccccc2)CC1 95453576 FZPTURQLTIAVIN-HXUWFJFHSA-N 372.513 1.479 0 40 FDAB COc1ccc(C(=O)N[C@H]2COc3ccccc3C2)cc1OCC(=O)O 95424316 DTPDTMSFHGRYNK-CQSZACIVSA-N 357.362 1.892 0 40 FDAB CCCNC(=O)CN(C)C(=O)CN[C@H](CN1CCCC1)c1ccccc1 95462572 SOUBILCTPDBVQQ-GOSISDBHSA-N 360.502 1.398 0 40 FDAB Cc1ncc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)s1 78875196 UPHHSCVFCOUEFF-PHIMTYICSA-N 363.443 1.536 0 40 FDAB CC(=O)c1cn(CCOc2ccc3c(C)cc(=O)oc3c2)c(=O)n(C)c1=O 79098608 FTMUKEXIGYBWMU-UHFFFAOYSA-N 370.361 1.243 0 40 FDAB O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)Nc1ccc(F)cc1 60374630 RPYHESAHNLYKNX-UHFFFAOYSA-N 353.353 1.836 0 40 FDAB Cc1c(C)[n+]([O-])c([C@@H](C2C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CC=CCC2)n1C 524734101 XCSXZLOFSVASSJ-UONOGXRCSA-N 374.441 1.382 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)C1 72397264 GAHSAUULUXXIID-SJORKVTESA-N 371.529 1.902 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(N)=O)c(=O)oc2c1 32646470 FIRWUOAZQCFQQP-OAHLLOKOSA-N 358.394 1.519 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218098363 FQVVFNIRUDSZMG-BQFCYCMXSA-N 362.403 1.698 0 40 FDAB Cc1cn2nnc(C(=O)N[C@@H](CN(C)C)c3ccc(Cl)cc3)c2c(O)n1 1568116662 FIXLSDXZQXAXMF-ZDUSSCGKSA-N 374.832 1.824 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(OC)cc1 218069998 FXSULYGGDBZGQW-KBPBESRZSA-N 370.423 1.318 0 40 FDAB COc1cccc([C@H](CNS(=O)(=O)c2c(C)noc2C)N(C)C)c1 47032914 RWBYSXNUDIJUDT-HNNXBMFYSA-N 353.444 1.881 0 40 FDAB S=C(NC[C@H]1CCCO1)Nc1nc(Cl)cc(N2CCOCC2)n1 225910509 OGSRVJFAJLDCPD-SNVBAGLBSA-N 357.867 1.432 0 40 FDAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc(-n2cnnn2)cc1 95477529 NYGNXLNZSGJPKZ-UHFFFAOYSA-N 354.370 1.257 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)C(C)C)C2 96036172 NSOIOMVQQMHXMC-GOSISDBHSA-N 364.515 1.682 0 40 FDAB COc1ccnc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)n1 265564160 KECOXVOGQWERMP-UHFFFAOYSA-N 366.429 1.404 0 40 FDAB CN1CCO[C@@H]2CCN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)C[C@@H]21 578088258 CUZWRLGYUCOSBA-JKSUJKDBSA-N 362.405 1.647 0 40 FDAB CC(C)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@]21CCNC1=O 96262533 WYJDHGGWBWFSLN-NRFANRHFSA-N 370.497 1.668 0 40 FDAB Cc1nnc2n1C[C@H](CNC(=O)c1cnn(C)c1Cc1ccccc1)CC2 579181604 HXEJADDFAPUIAB-INIZCTEOSA-N 364.453 1.903 0 40 FDAB Cn1c(C(=O)NCCc2ccncc2)nc2c1CCN(C(=O)C1CC1)C2 96088009 HOXYSDHQNRWKOS-UHFFFAOYSA-N 353.426 1.082 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106098 YQZMJRMKOFFWNH-KRWDZBQOSA-N 354.410 1.962 0 40 FDAB COCCN1CC2(CCN(C(=O)Cc3ccco3)CC2)C[C@@H]1COC 96220764 HKCNJAOGRVDGBM-MRXNPFEDSA-N 350.459 1.798 0 40 FDAB C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1cc2cccc(F)c2o1 332323746 OURYLHAJFWLCQO-SNVBAGLBSA-N 369.418 1.665 0 40 FDAB CC(C)Cc1n[nH]c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)n1 95476476 MMJXWVQRJAIJLM-UHFFFAOYSA-N 356.386 1.413 0 40 FDAB CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)COC[C@H]1CCCO1)C2 248107170 GBGBTDLPZNTFDM-WBVHZDCISA-N 360.458 1.324 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3oc4ccccc4c3C)C2)CN1C 248097243 YPQDNGRPUUBLSC-AWEZNQCLSA-N 357.410 1.012 0 40 FDAB Cc1cc(C)n(CC(=O)N(C)[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257304875 SNMGUHFLIJXOHP-ZHALLVOQSA-N 358.442 1.714 0 40 FDAB Cc1cc(-c2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)[nH]n1 257241159 HWVHYBUYQDMZRI-ZDUSSCGKSA-N 364.475 1.469 0 40 FDAB COCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1C 525877377 YVWHTPKOIYVQNZ-ZDUSSCGKSA-N 357.428 1.506 0 40 FDAB Cc1nccc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)n1 257283914 PALSPPPXWUOHHJ-CQSZACIVSA-N 352.398 1.159 0 40 FDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC(F)(F)CC2)n1 604382230 LRAFQJZIOWWZQK-QBPKDAKJSA-N 355.429 1.853 0 40 FDAB biogenic,in-vitro O=C(O)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)nc1 642207943 AIDFJAGNQMBUSH-UHFFFAOYSA-N 355.394 1.542 0 40 FDAB CCOc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1 643771186 KXWPHSYBMCPQLV-XKQJLSEDSA-N 354.472 1.351 0 40 FDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 643850200 MNEQHDDCSXKKIR-KDOFPFPSSA-N 367.446 1.006 0 40 FDAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 646035475 LNPGMBIJAAAOBQ-ZDUSSCGKSA-N 357.432 1.253 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(OC)ccc1Cl 647928564 PDKWIIQHSFFIDU-CQSZACIVSA-N 363.819 1.603 0 40 FDAB Cc1cccc([C@H]2CC(=O)Nc3nc(N4CCN(C)CC4)nc(O)c32)c1F 670416115 MOQQRKMVYIYTFV-CYBMUJFWSA-N 371.416 1.856 0 40 FDAB NC(=O)[C@@]1(O)CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)C1 296805467 UNDWGJJYJMSDLT-OAHLLOKOSA-N 368.365 1.227 0 40 FDAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 585285913 DXZZQNIYSBNULW-HKUYNNGSSA-N 371.424 1.837 0 40 FDAB Cc1cccc(CN2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)n1 585102685 FVHGXYWVEFJQCV-OAHLLOKOSA-N 365.499 1.453 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(O)C2)O1 585108585 IMFOZHKYWCOLMW-IYKNYXLFSA-N 364.467 1.284 0 40 FDAB O=C(C1CC(F)C1)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 585108461 OVAZMLWOLICPHM-NHHFINERSA-N 370.465 1.232 0 40 FDAB CCCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 952844593 AFPFDLGJADFEPT-HSFUPAIVSA-N 372.425 1.285 0 40 FDAB biogenic,in-vitro CN1CCC[C@@H](O)[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1 5063941 XLSDHNOBQSFNGE-RBUKOAKNSA-N 355.434 1.921 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1C(N)=O)CC2 5170970 PNFFKQXVVJPTHZ-UHFFFAOYSA-N 370.405 1.766 0 40 FDAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)NC[C@H]1COCCO1 12187236 XGVNGJMOEKSJIB-LBPRGKRZSA-N 357.332 1.977 0 40 FDAB O=C(c1ccncc1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267386 DFJINEDEFANUOQ-QGZVFWFLSA-N 372.450 1.664 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cn3cc(Cl)ccc3n2)cc1 13691456 VNFLWNDGLNPWSH-UHFFFAOYSA-N 364.814 1.565 0 40 FDAB CC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc(C)on1 14703412 LNLFXRMOOPUCGV-CQSZACIVSA-N 366.443 1.180 0 40 FDAB CC(C)[C@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19445517 QXYGULJHZFHOJL-KRWDZBQOSA-N 361.490 1.525 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H](C)O 19696609 OKTWZDJFSCFDDX-JLTOFOAXSA-N 371.437 1.762 0 40 FDAB CCN1C(=O)[C@@]2(CCCN(C(=O)CCCN)C2)C[C@@H](O)[C@@H]1c1ccccc1 643550473 JWUXFZVLWNJDPK-LMNJBCLMSA-N 373.497 1.689 0 40 FDAB CN1CCN([C@@H](CC(=O)Nc2ccccc2Br)C(=O)O)CC1 22585054 GYSJZICYVTYMAA-ZDUSSCGKSA-N 370.247 1.478 0 40 FDAB CS(=O)(=O)Cc1cccc(C(=O)NCCc2nnc3ccccn23)c1 11546910 MMDFUPKQZVBFIZ-UHFFFAOYSA-N 358.423 1.246 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1ccco1 245015231 LSFAFRJQXQPFNF-UHFFFAOYSA-N 351.326 1.413 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984446 BOONFVWCOSFLSZ-QAPCUYQASA-N 368.437 1.623 0 40 FDAB CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 1142583938 BUPFMTNFBBRHAT-ZWKOTPCHSA-N 359.470 1.326 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1 1565549401 WMCZRCIZUSFDEH-DNVCBOLYSA-N 374.416 1.294 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1 1565545601 JATQMDOILCSAEQ-MRXNPFEDSA-N 364.409 1.195 0 40 FDAB CCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 4586294 HVTHRVSYGKXRLW-UHFFFAOYSA-N 352.456 1.745 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 5028538 QPLDWMSCLCDLHX-ZZXKWVIFSA-N 369.425 1.268 0 40 FDAB O=C(NCc1cccs1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708562 HQGVSSISYBUKEG-UHFFFAOYSA-N 355.419 1.838 0 40 FDAB Cc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)c1C 11927680 HQQGGFGIQXKVJN-UHFFFAOYSA-N 356.426 1.919 0 40 FDAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714521 FOJBSPOFSWZOGC-CQSZACIVSA-N 362.474 1.661 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2S(=O)(=O)C2CC2)O1 2055756353 GEGIVPQSMFEHDW-KFWWJZLASA-N 354.428 1.010 0 40 FDAB COc1ccc2cc(C(=O)NCCOCCN3C(=O)CCC3=O)[nH]c2c1 575619664 LSBPCHPQOGLMMT-UHFFFAOYSA-N 359.382 1.072 0 40 FDAB C[C@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19457558 CHRVOVPBWBELHN-CQSZACIVSA-N 354.458 1.361 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 40087894 QCZQQRGHKMCZCA-AWEZNQCLSA-N 353.378 1.855 0 40 FDAB Cn1ncc2c(=O)[nH]c(CCC(=O)NC[C@@H]3CCCc4ccccc43)nc21 30694657 PYFNRWYIPIZJFK-AWEZNQCLSA-N 365.437 1.826 0 40 FDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31612000 LRZHUSPQUMXRDV-ZIAGYGMSSA-N 358.847 1.211 0 40 FDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccnc2)c2cc(Cl)ccc21 101451656 SPEAIZNFKXZSAE-OAHLLOKOSA-N 372.812 1.575 0 40 FDAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CCC(N)=O)C(=O)O 4535359 NXEMZXBNHFUICE-NSHDSACASA-N 365.773 1.752 0 40 FDAB COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 7969415 AXXRYURTTVUSLA-UHFFFAOYSA-N 352.387 1.429 0 40 FDAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccccc1 102000738 UZSNMXSIOZYJFM-HZPDHXFCSA-N 367.340 1.758 0 40 FDAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c(C)n1C1CC1 32825345 KXTANIJNJGLIGY-UHFFFAOYSA-N 368.503 1.047 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 32897874 OUKXVOPBIRHJKX-ZDUSSCGKSA-N 363.389 1.479 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298528 IYJHUPLAMBIDLZ-JQHSSLGASA-N 351.454 1.934 0 40 FDAB biogenic,in-vitro CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(N2CCOCC2)nc1 32935256 RFTFKHLKMWXKAR-UHFFFAOYSA-N 355.460 1.318 0 40 FDAB C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 103159069 XTYMRHPUEMVNQC-ZQDZILKHSA-N 360.458 1.447 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 22237981 ZOBPNDLJQSWNJF-CYBMUJFWSA-N 373.482 1.652 0 40 FDAB COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc(OC)c1OC 22617915 NUJUQHWEZCMUSK-AWEZNQCLSA-N 373.409 1.931 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H](C)O[C@H](C)C1 22832619 KYAWMGBQANXGEF-JKIFEVAISA-N 366.483 1.399 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 47080190 JRMAAYAXRLPXAF-JTQLQIEISA-N 355.320 1.779 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)c1 23387236 WGECUAFBUYQHAA-QGZVFWFLSA-N 356.426 1.241 0 40 FDAB O=c1nc2s/c(=C\c3cccc(F)c3)c(=O)n2nc1Cc1ccccc1 1245823 GVZMLVQAUUXTFE-WJDWOHSUSA-N 365.389 1.789 0 40 FDAB CCCCn1c(N)c(N(C)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O 108955748 KHOSVBBWUIKXGI-SRVKXCTJSA-N 365.503 1.418 0 40 FDAB C[C@H]1CN(c2ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc2F)C[C@@H](C)O1 106626288 JISBPQXXFOOVMT-TUAOUCFPSA-N 358.435 1.811 0 40 FDAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCOCC1 58193956 ODSIWERBULMADE-LLVKDONJSA-N 364.427 1.094 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCCCCC1 12690677 XSKVSEAJYNIOHS-GJZGRUSLSA-N 364.442 1.544 0 40 FDAB COCCN(CCOC)C(=O)COC(=O)c1ccccc1Br 3320549 JDOZDUZCRNZVPU-UHFFFAOYSA-N 374.231 1.727 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccoc2C)CC1 10665274 AVDSPAINKZBSDG-UHFFFAOYSA-N 353.400 1.340 0 40 FDAB O=C(COc1cc2ccccc2cc1C(=O)O)N[C@H]1CCS(=O)(=O)C1 13034683 ZBSZCXOQKARPIF-ZDUSSCGKSA-N 363.391 1.220 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 26781672 LBDOYKZIYAWCLB-GOSISDBHSA-N 370.453 1.602 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)CCn1cnc2ccccc2c1=O 14015180 ITLRNMJDSWFZHT-UHFFFAOYSA-N 357.435 1.858 0 40 FDAB C[S@](=O)c1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1 65554337 DWWGZXADVSJETC-JOCHJYFZSA-N 351.449 1.628 0 40 FDAB COc1ccc2nc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)sc2c1 6647720 HSPXIBPTGCTEKW-KRWDZBQOSA-N 374.422 1.964 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)CCO 5937055 HCCKVKZBKGTFKZ-UHFFFAOYSA-N 366.414 1.999 0 40 FDAB O=C(NC1CCOCC1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 67208481 UZUPTOXIBNOWGT-IRXDYDNUSA-N 369.421 1.556 0 40 FDAB COCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C1=O 8914006 VVLNFFQYNWAUKJ-OXQOHEQNSA-N 371.437 1.703 0 40 FDAB COC(=O)c1ccc(F)c(CN(Cc2ccccn2)S(C)(=O)=O)c1 96004414 PHUXJMHKZPCEDD-UHFFFAOYSA-N 352.387 1.969 0 40 FDAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc[nH]n1 71285527 BFNSVUUFZRTOQZ-HNNXBMFYSA-N 371.445 1.300 0 40 FDAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccncc1 19991151 URNJXTJWIHEIEM-HXUWFJFHSA-N 367.405 1.179 0 40 FDAB CNC(=O)[C@@H]1CCCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 83881800 IUQSPXIOJZKIDH-ZDUSSCGKSA-N 368.363 1.782 0 40 FDAB O=C(NCc1cn[nH]n1)c1cccc(NS(=O)(=O)c2ccccc2)c1 97011391 VEYULZINIRMFED-UHFFFAOYSA-N 357.395 1.536 0 40 FDAB Cc1nnc(CN(CCNS(=O)(=O)c2ccccc2)C(C)(C)C)o1 84291471 ZSHAFMUYNGDWIA-UHFFFAOYSA-N 352.460 1.957 0 40 FDAB O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCO 97176443 ZZYDFQGKUOWVBC-UHFFFAOYSA-N 367.496 1.595 0 40 FDAB C[C@H](C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)n1nnnc1C(C)(C)C 95993038 BGLVWSQTLZDHFE-LLVKDONJSA-N 369.429 1.784 0 40 FDAB COc1ccc2c(c1)OC[C@H](C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1)C2 75104094 YPYWTAYOPWHSHU-SNPRPXQTSA-N 354.424 1.755 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cn1 32882612 DAKZCFRBPBDIRC-ZDUSSCGKSA-N 363.439 1.382 0 40 FDAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)N1CCOCC1 64814408 BBZAEVBUUCRSMB-UHFFFAOYSA-N 371.315 1.685 0 40 FDAB CN1CCC2(CC1)NC(=O)c1cc(Br)ccc1-n1nnnc12 35622371 VWOXXZUGLALHMH-UHFFFAOYSA-N 363.219 1.089 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCOCC3)c2c1 31809801 ALFNROFHRDMUBC-IDOMTICXSA-N 373.365 1.205 0 40 FDAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 556721224 LCIMLTOGYMCPKZ-CQSZACIVSA-N 359.434 2.420 0 40 FDAB COc1ccc(N([C@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 408875667 GXJGCLYYDZOYIV-DOMZBBRYSA-N 356.444 1.145 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2cc[nH]c2c1 72405533 KIVKTRKTIXBYOB-UHFFFAOYSA-N 355.375 1.951 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncn3)CC2)cc1F 75166372 ROCJSDQHTLWJBD-UHFFFAOYSA-N 366.418 1.444 0 40 FDAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCC(=O)N1CCCC1 32716732 CRJBWJNGUYPUMI-UHFFFAOYSA-N 357.410 1.192 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NC1CCCCC1 36357585 URYNNWNHKZCNOL-UHFFFAOYSA-N 355.398 1.482 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1 35313689 HROHQPNANQBXCC-UHFFFAOYSA-N 363.439 1.146 0 40 FDAB Cc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218249392 WKBASTRHGPAGMJ-KEYYUXOJSA-N 354.472 1.728 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217469664 CDKXJCSVGOVTGQ-UHFFFAOYSA-N 368.411 1.905 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2ccccc21 71285746 YZCGXXMCXOJAPB-UHFFFAOYSA-N 350.422 1.893 0 40 FDAB O=C(COc1ccc(F)cc1)N1CCc2nnc([C@@H]3CCCNC3)n2CC1 72370892 LPZLWVVMMFQWIX-CQSZACIVSA-N 373.432 1.348 0 40 FDAB COc1ccc([C@H](NC(=O)[C@H]2CCCS2(=O)=O)C(=O)O)cc1Cl 563820087 CCPKVVOZBHNBBL-NEPJUHHUSA-N 361.803 1.168 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226857033 WAKQZIYDCSPBBD-UHFFFAOYSA-N 365.363 1.981 0 40 FDAB CC(C)CN1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225471805 OUSBEOJWEZWWAB-UHFFFAOYSA-N 352.548 1.830 0 40 FDAB biogenic,in-vitro CCc1cc(=O)n(CCNS(=O)(=O)c2cc(C)ccc2OC)cn1 75166382 GDVGUMOLYAXSOP-UHFFFAOYSA-N 351.428 1.101 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)cc1C(=O)O 572239689 FXEISCGHCXIBKP-HNNXBMFYSA-N 369.439 1.973 0 40 FDAB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCN1C(=O)CCC1=O 46717484 PAHNTHSHKPIGEN-UHFFFAOYSA-N 365.817 1.956 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2cc(C)ccc2C)s1 224049353 UDBTXGSAAJEUNJ-UHFFFAOYSA-N 370.456 1.471 0 40 FDAB CCc1nn2c(nnc3c(=O)n(NC(N)=S)ccc32)c1-c1ccccc1 40390808 HAIOLNWVYHBKNC-UHFFFAOYSA-N 365.422 1.456 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2cccc(C)c2C)C1 223960749 VJGOBBSIIXRQNX-MRXNPFEDSA-N 368.499 1.860 0 40 FDAB O=S1(=O)N[C@@H]2CN(Cc3ccncc3Cl)C[C@@H]2Oc2ncccc21 514288770 BODPINDOTBRFJN-OLZOCXBDSA-N 366.830 1.054 0 40 FDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106935 NUVYRMYUMQRMBY-HNNXBMFYSA-N 352.456 1.714 0 40 FDAB Cc1noc(C)c1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 96255734 BZJIGHHOMRHTOA-UHFFFAOYSA-N 357.414 1.159 0 40 FDAB COc1ccc(C(=O)CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 95472108 YUVRUTBDQPHXTI-CQSZACIVSA-N 356.378 1.636 0 40 FDAB COc1ncc(Cl)c(N2CCN(CCNC(=O)C3CCCC3)CC2)n1 585085097 CKIPJCWNVHDWAG-UHFFFAOYSA-N 367.881 1.567 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)c1 257208233 BLGXOFLGCLXFME-FQEVSTJZSA-N 354.454 1.213 0 40 FDAB CCn1cc(-c2cncc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)n2)cn1 257217426 CYWFUAQXSGHFSG-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccccc3C)CC[C@@H]2O)CC1 257301961 SATQPIFLWWQXKQ-OALUTQOASA-N 359.470 1.125 0 40 FDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)Cc2ccncc2)C1 257283873 PAGFICMBDCBMEH-FQEVSTJZSA-N 357.429 1.859 0 40 FDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)nc2)no1 85436346 QGFFIUPGHIVWCQ-UHFFFAOYSA-N 366.381 1.091 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@H]1n1cccn1 624133047 GRRJEOKXJBSPOO-QKPAOTATSA-N 361.446 1.054 0 40 FDAB O=C(NCCOc1cccc(C(F)(F)F)n1)c1cn2c(n1)COCC2 626283847 SFRCVJYIZACSII-UHFFFAOYSA-N 356.304 1.636 0 40 FDAB Cc1cc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)ccc1-n1cncn1 643755614 ZCZDULBYGUHZRO-LJQANCHMSA-N 357.458 1.381 0 40 FDAB Cc1nc2c(F)cccc2cc1C(=O)N1CCC[C@@H]1CS(N)(=O)=O 651327459 CKSDBXNUPBDYHI-GFCCVEGCSA-N 351.403 1.575 0 40 FDAB NS(=O)(=O)c1sccc1C(=O)NC[C@H](O)CCc1ccccc1 1154121399 PJJWPOAAEZIWCY-GFCCVEGCSA-N 354.453 1.119 0 40 FDAB O=S1(=O)CC[C@H](CNCc2ccccc2-n2nnc3ccccc32)C1 1620708761 BTBUYAIJNFUUEB-CQSZACIVSA-N 356.451 1.945 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1COCC(=O)N1Cc1cccs1 90608468 OEILWSGSKNVSIL-CQSZACIVSA-N 374.418 1.521 0 40 FDAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc2n1C 608247579 FQLOWMJWDCXMDD-SFHVURJKSA-N 355.398 1.541 0 40 FDAB O=C(NCCn1ccc(-c2ccccn2)n1)[C@@H]1COc2ccccc2O1 96098883 RGVUYGUCJWWRML-SFHVURJKSA-N 350.378 1.901 0 40 FDAB O=C([C@H]1CCOC1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111075 CECIAARWMXCKLR-NSHDSACASA-N 351.357 1.563 0 40 FDAB CO[C@@H]1CCN(C(=O)Cn2cccnc2=O)C[C@H]1Cc1ccccc1F 585277535 WIUZNHDVSSVJQJ-NVXWUHKLSA-N 359.401 1.489 0 40 FDAB Cc1ccc(N2CC[C@@]3(CN(C(=O)C4CC(O)C4)CCC3(F)F)C2)nn1 585102113 SBPKWQWEQVCZEU-KVULBXGLSA-N 366.412 1.620 0 40 FDAB CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(N)=O)s1 585113925 ZAVZQUGXDSYOST-GFCCVEGCSA-N 351.472 1.562 0 40 FDAB C[C@H](c1nc([C@H]2CCS(=O)(=O)C2)no1)n1ccc(C(F)(F)F)n1 632033286 NNNBZGDQUXIZFL-SFYZADRCSA-N 350.322 1.796 0 40 FDAB NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)O1 1654289436 IDBCPZKXHLRSRM-CABCVRRESA-N 356.382 1.601 0 40 FDAB O=C1OCCSCCOCCSCCOC(=O)c2cncc1c2 5573084 SRZZCKXLYWTBCX-UHFFFAOYSA-N 357.453 1.892 0 40 FDAB Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]31)N2 12086331 JKSMTOMFLYJSKL-AGKSTNPPSA-N 365.437 1.762 0 40 FDAB O=C1CCC(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)=NN1 12668721 DGCRRGUQJHVUIJ-UHFFFAOYSA-N 354.370 1.104 0 40 FDAB CC(=O)c1csc(NC(=O)CN(C)S(=O)(=O)c2cccs2)n1 15201156 GWQHTRDODNXGHF-UHFFFAOYSA-N 359.454 1.666 0 40 FDAB Cc1nc(CC2CCN(C(=O)c3cccnc3N)CC2)cc(N(C)C)n1 19758657 XKOOVBJRZXZAFZ-UHFFFAOYSA-N 354.458 1.923 0 40 FDAB COC[C@]1(C(N)=O)CCCN1Cc1ccc(OC)cc1Br 643764455 YJSXSVZYGMIAFZ-HNNXBMFYSA-N 357.248 1.924 0 40 FDAB O=C([C@H]1CCCO1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11694035 UZQFQFKARRNTEI-OAHLLOKOSA-N 357.410 1.279 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CN(C)Cc2ccccc2C)c2ccccc2O1 9053966 XHNWTBHVQZODMG-LJQANCHMSA-N 367.449 1.967 0 40 FDAB Cn1cnc2ncnc(N3CC[C@@H](COc4cc5c(nn4)CCC5)C3)c21 1888901040 OULWDLOFDAVPEM-GFCCVEGCSA-N 351.414 1.547 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COCc1ccc2c(c1)OCO2 24094981 VSVBJGOGDBZTSQ-SOUVJXGZSA-N 361.394 1.468 0 40 FDAB c1cncc(-c2ccnc(N3CCN(c4ccc5nncn5n4)CC3)n2)c1 2087044679 CHGIDZPXCCTDSE-UHFFFAOYSA-N 359.397 1.303 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCc2ncnc(-c3ccsc3)c2CC1 1565553159 MKPYYGUOQWGAHD-UHFFFAOYSA-N 365.480 1.567 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@]2(CCN(C(=O)C4CC(O)C4)C2)CO3)cn1 1565554480 SMVQGSXGQAQEDU-SGHGTVFPSA-N 353.422 1.721 0 40 FDAB Cc1nc2c3ccccc3nc(SCC(=O)NC[C@H]3CCCO3)n2n1 2968922 JEFNKZUKGKFRFG-GFCCVEGCSA-N 357.439 1.973 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N(C)C)cc1 11898969 YCCSVWVNDQKVDS-MRXNPFEDSA-N 372.425 1.169 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CSc3nccc(=O)n32)C1 12236099 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CCOC(=O)[C@@H]1[C@H](c2cccc(O)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213566 WTYSURDATTXSAS-MJVIPROJSA-N 362.304 1.519 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(N2CCCC2=O)cc1 25114871 GSOHYRUWGDEAEL-LBPRGKRZSA-N 361.398 1.133 0 40 FDAB Cc1nc(CN2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)no1 114465030 RJMOYYYBZCMKPK-AWEZNQCLSA-N 355.442 1.473 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 108396623 KQURRNXZDCWYPV-UNEWFSDZSA-N 350.415 1.124 0 40 FDAB COc1ccc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1OC 71333924 HBPYPEDBMOGQIE-KRWDZBQOSA-N 353.382 1.596 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cncc(Br)c1 3371042 TUHYHNBDNAFJJK-UHFFFAOYSA-N 358.192 1.625 0 40 FDAB CNC(=O)c1nn(CN2CCC[C@H](C(F)(F)F)C2)c(=O)c2ccccc12 10913247 XRSFLSAFFXSJEP-NSHDSACASA-N 368.359 1.988 0 40 FDAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccccc4)sc3nc2=O)cc1 5006688 INIMZLYYRDQZOQ-SFQUDFHCSA-N 361.426 1.958 0 40 FDAB Cn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c2ccccc2c1=O 8756631 FMOBJOILAQSSTM-HNNXBMFYSA-N 367.361 1.065 0 40 FDAB Cc1c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 4581837 YMCRCCJPVUTSTC-LBPRGKRZSA-N 365.407 1.544 0 40 FDAB COc1ccccc1NC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 8723727 YTUOOUDDFNGRET-AWEZNQCLSA-N 369.487 1.668 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)on1 14560399 VBTXARNRJYZVOE-JTQLQIEISA-N 356.338 1.332 0 40 FDAB COCCNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)OC2 6757657 GFIUGKOJLOZDOG-UHFFFAOYSA-N 370.427 1.087 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)Cc3cn4ccsc4n3)cc2N1 4864669 YMKRYDQCOXFDIY-UHFFFAOYSA-N 371.374 1.695 0 40 FDAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NCc2ccco2)nc1N 15278944 OBGNDKPIGKWYOP-SECBINFHSA-N 350.400 1.626 0 40 FDAB COc1ccc(OCC2=NNC(COc3ccc(OC)cc3)=NN2)cc1 27752133 PVUYEHHMTSTQGP-UHFFFAOYSA-N 356.382 1.981 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 7983072 VEAQFDILPWVXHB-SFHVURJKSA-N 359.382 1.507 0 40 FDAB CC(C)c1noc(CCCNS(=O)(=O)c2cc(Cl)cnc2N)n1 84631122 FGWUNXKNDVJUSU-UHFFFAOYSA-N 359.839 1.735 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@@H](C)CO 95349464 HDVVAMITKZBYRI-KBPBESRZSA-N 354.472 1.669 0 40 FDAB CN(Cc1cccs1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 95453082 QSRNBFXVPZZXAA-UHFFFAOYSA-N 359.411 1.690 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3C)C2=O)cc1 409094502 FJGVRJYCAZOSQG-GDNBJRDFSA-N 354.366 1.565 0 40 FDAB Cc1ccc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)s1 306138422 RXGJIORHKSDLMT-HOCLYGCPSA-N 372.494 1.804 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 30847274 GLABPKZOIUBIST-RYUDHWBXSA-N 371.459 1.747 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1cccc2c(O)cccc12 36354701 RXDKHLBLTBDQKS-UHFFFAOYSA-N 357.410 1.322 0 40 FDAB O=C(Cc1noc(C(=O)NCc2ccccn2)n1)NCc1ccccc1 36354872 GQFDTQCPAKDVOP-UHFFFAOYSA-N 351.366 1.254 0 40 FDAB CC(=O)N1CC[C@@H](c2c(C(=O)N3CCNC(=O)C3)sc3ccccc23)C1 72352639 HJJXDJJKBLGTKM-CYBMUJFWSA-N 371.462 1.809 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NCC1CCN(c2ccncc2)CC1 70895809 SMSJAIVKHUFVCL-UHFFFAOYSA-N 366.465 1.773 0 40 FDAB C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1nc2c(s1)CCC2 560554184 JSOOICQZPQWDST-LLVKDONJSA-N 351.476 1.702 0 40 FDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 40143006 ZXLASJLPSJCEBC-UHFFFAOYSA-N 361.361 1.195 0 40 FDAB CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 225881856 MDPAQPHWUNQQRX-UHFFFAOYSA-N 350.492 1.610 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)cc1F 75155729 BPURIDYYAGZKLS-QGZVFWFLSA-N 351.399 1.947 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1 223313243 YNVKORVULDWWOO-UHFFFAOYSA-N 356.385 1.416 0 40 FDAB C[C@@H](C(=O)NCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 96345805 JLQDYNIXWOEWOR-NSHDSACASA-N 354.337 1.809 0 40 FDAB COc1ccc([C@@H](CN(C)C)NS(=O)(=O)N2CCOC(C)(C)C2)cc1 330501663 ARSIAIHYBFQPJG-MRXNPFEDSA-N 371.503 1.243 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96041288 GBWKDVDHNIISFM-USXIJHARSA-N 353.426 1.514 0 40 FDAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@]2(CCCN(CCO)C2=O)C1 91656818 PMDIEISULWMMTA-OAQYLSRUSA-N 369.465 1.934 0 40 FDAB COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1oc(C)cc(=O)c1O 96113790 UUMBVGVVXAZKBQ-CYBMUJFWSA-N 361.350 1.213 0 40 FDAB biogenic O=C(c1ccnnc1)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96218641 YSTMZUWKVCKIJT-CRAIPNDOSA-N 354.414 1.533 0 40 FDAB CN1CCN(c2ccc3ccc(C(=O)N4CCC(N(C)C)CC4)cn23)CC1 96155889 OHUIMVLDXBEURA-UHFFFAOYSA-N 369.513 1.857 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4cnn(C)c4)CCO[C@@H]3C2)nc1 96208815 BKEYNLNPFVCRQM-FUHWJXTLSA-N 355.442 1.097 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1 96059243 LUGHMCAWUOBXNA-QGZVFWFLSA-N 352.442 1.860 0 40 FDAB CC(C)CNC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 583622105 OFXQIXOTAQHHEV-AWEZNQCLSA-N 355.442 1.656 0 40 FDAB Cn1cnc2c1[C@H](C(=O)N1CC=CC1)CN(Cc1ccc3c(c1)OCO3)C2 248010482 DSNZSUUPBKTXIF-OAHLLOKOSA-N 366.421 1.647 0 40 FDAB Cn1nccc1C(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257332773 XYOJHGYHAMOFLG-DKSSEZFCSA-N 356.426 1.904 0 40 FDAB COCC(=O)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)O)c2)C1 257235044 GWELOJSXZYTCJI-LBPRGKRZSA-N 356.382 1.589 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(c4ccncn4)C3)ccnc12 257206725 BERMBVTVHHHBET-CYBMUJFWSA-N 351.414 1.605 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)nc1 257267676 MIHNKKCWWROMBZ-VDHUWJSZSA-N 360.385 1.591 0 40 FDAB CCn1nccc1-c1cncc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257275611 NQCLRZYPXSKXEM-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257228479 FUBBZOJFQMLZBG-QGZVFWFLSA-N 354.410 1.394 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)Cn1cc(C)cn1 257276623 NUNLASLUWFFELY-MRXNPFEDSA-N 356.430 1.290 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)ncn1 257241289 HXMGZQGUVJHAEC-INIZCTEOSA-N 356.426 1.266 0 40 FDAB COCc1ccc(CNC(=O)CN2CCC[C@]2(COC)C(=O)O)cc1 643879742 ZENGUJTVILIIBE-SFHVURJKSA-N 350.415 1.015 0 40 FDAB O=c1cc(CN(Cc2ccccc2)C[C@H](O)C(F)(F)F)[nH]c2ccnn12 679676050 UQBIPMZDDVJQLO-AWEZNQCLSA-N 366.343 1.948 0 40 FDAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C)c1ccccc1 96362887 FPFGVMRKZRXDOW-AUUYWEPGSA-N 367.449 1.706 0 40 FDAB Cc1noc(C2(NCC(=O)NC[C@H]3Cc4ccccc4O3)CCOCC2)n1 585140123 CAACUGIWMULROY-OAHLLOKOSA-N 372.425 1.093 0 40 FDAB Cc1csc(CN2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)n1 585103401 VOYZBUOFNZDRIT-ZDUSSCGKSA-N 371.528 1.514 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCCn2cccn2)CCO1 585278112 QMTOLYPLMMHHSA-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB O[C@@H]1[C@@H](CNCC2(O)CCNCC2)CC[C@H]1Oc1cccc(Cl)c1 585286577 MBWSHCDRRDVSEK-KBRIMQKVSA-N 354.878 1.562 0 40 FDAB O=C(C[C@@H]1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)NC1CCC1 585095393 URGQSBWIEKFLBT-LLVKDONJSA-N 366.365 1.148 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCOc2cc(C)cc(C)c2)n(C)c1 55602353 QKBMFVZQMFXXRR-UHFFFAOYSA-N 365.455 1.359 0 40 FDAB CCOc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)C2CC2)CC1 85467078 PKELVWLIKFWRMN-HNNXBMFYSA-N 354.472 1.163 0 40 FDAB O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2cccc3nccn23)n1 547694402 SQQANPLWXDSVDS-CQSZACIVSA-N 352.398 1.947 0 40 FDAB Cc1ncn(CC(=O)N2CC(N3CCc4ccccc4C3)C2)c(=O)c1C 585323788 NAHARUZITUXIRM-UHFFFAOYSA-N 352.438 1.129 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691754 GDGFRDSVSUXHNL-MJVIPROJSA-N 362.373 1.944 0 40 FDAB COCCNC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086342 KBQURZOSTBHDPJ-LJQANCHMSA-N 360.410 1.166 0 40 FDAB COc1cc(C(=O)NCC2(N(C)C)CCN(C)CC2)c2ccccc2n1 12192620 IXRJWOMGBHPACR-UHFFFAOYSA-N 356.470 1.999 0 40 FDAB O=C(NC1CCCCC1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234263 GQIGJROJKZWSNP-UHFFFAOYSA-N 357.389 1.992 0 40 FDAB O=C1N[C@H]2CCCC[C@H]2N[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 12320767 UWBQHZKARFQCON-FGTMMUONSA-N 356.470 1.125 0 40 FDAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](Oc2ccccc2)[C@H]1O 12483269 ZVESDWLITPNYFV-UYTYNIKBSA-N 374.368 1.879 0 40 FDAB biogenic,in-vitro COCCC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(CCCC(=O)N2)C1 19593214 JLWVVYBJENJUPH-SCLBCKFNSA-N 352.381 1.966 0 40 FDAB C[C@]12CN(C(=O)COc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O 19576425 MGNZWNCLTKKFCZ-UTKZUKDTSA-N 364.401 1.909 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC2(c3cccs3)CCOCC2)CC1 575607706 NMGQGOFTMDARPL-UHFFFAOYSA-N 372.512 1.542 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCOCC1 36079029 JQEUWBFCMVSLTJ-CYBMUJFWSA-N 355.416 1.236 0 40 FDAB O=C([C@@H]1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCOCC1 1889096200 DIRLRJFPWQFWNW-VIFPVBQESA-N 351.350 1.226 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(Cc4cccnc4)C3)ccnc12 1848355317 HXRBNHVABJNGPX-OAHLLOKOSA-N 350.426 1.816 0 40 FDAB Cn1cc(-c2nc(C(=O)NC3CCN(c4ncccn4)CC3)cs2)cn1 40145218 RUWFYVDAIALSLK-UHFFFAOYSA-N 369.454 1.732 0 40 FDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 2037938499 ODTRBOKFQYBIEE-IBGZPJMESA-N 358.442 1.458 0 40 FDAB CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(C(C)=O)C2 4291730 CPKWAAIKDIUJHP-SNAWJCMRSA-N 366.395 1.409 0 40 FDAB CCOc1ccccc1N1CCn2c1nc1c2c(=O)n(CC)c(=O)n1C 4945228 PBIIRJBSHSBMSV-UHFFFAOYSA-N 355.398 1.467 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N(C)C)c(C)c1 11897972 GDBWFKQOOUXYPU-INIZCTEOSA-N 351.472 1.923 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(CCC4OCCO4)CC3)cnc2c1 1849469770 DNPVHPLPRRWEEJ-UHFFFAOYSA-N 373.453 1.880 0 40 FDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2)N1CCCCCC1 2055713465 SLFMRJRSSZPKEE-OAHLLOKOSA-N 360.458 1.321 0 40 FDAB O=C(Cc1ccccn1)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055772677 NXRIZUYGTDKJDF-OAHLLOKOSA-N 368.437 1.958 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2=O)n1 2055835578 LHKZTZGYLFWKRG-IBGZPJMESA-N 353.426 1.768 0 40 FDAB Cc1ccc(NC(=O)CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc1 2086869109 SPRMWRMMGDIHNI-HNNXBMFYSA-N 351.472 1.480 0 40 FDAB O=C(CN1CCN(c2ccc(C3CC3)nn2)CC1)NCc1ccc(F)cc1 575618354 ARPJCPCRTOXEQZ-UHFFFAOYSA-N 369.444 1.932 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1C[C@@H](C)O[C@H](C)C1 40039242 RYTIKWKBXSPLDQ-RKDXNWHRSA-N 371.363 1.938 0 40 FDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 11296109 GQCAFWWPVRBGTG-ZDUSSCGKSA-N 355.373 1.788 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2nc(-c3cccc(Cl)c3)no2)n(C)c1=O 7064882 AXTZRAOIPCHSDX-UHFFFAOYSA-N 372.772 1.185 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(O)C=C[C@]3(C[C@@H]2C(=O)O)[C@@H]1C5 100393850 PHVHFUCWRHIUOT-PAYJEVGVSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccco2)n2nnnc2N1 10232081 BOAHGOTYRNWVSG-AWEZNQCLSA-N 369.312 1.730 0 40 FDAB NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 58144057 LBQAJOBTIGCNIE-AWEZNQCLSA-N 365.455 1.232 0 40 FDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2OCC)CC1 21894666 NBHZNYQXKRCNRC-UHFFFAOYSA-N 363.414 1.116 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1c[nH]c2ccccc12 102801203 IIVVPSZOLLEAEA-IYBDPMFKSA-N 351.406 1.778 0 40 FDAB Cc1ccc(N2N=C(C(=O)O[C@@H]3CCOC3=O)CCC2=O)cc1Cl 11952592 ZGPXBWACKWXRGS-CYBMUJFWSA-N 350.758 1.990 0 40 FDAB CNC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 8185704 DYEQCJFMKSRSSF-UHFFFAOYSA-N 362.338 1.452 0 40 FDAB Cn1nc(CC(=O)NCCc2ccc3c(c2)OCO3)c2ccccc2c1=O 24381533 ZNEPMKDPPPYFAJ-UHFFFAOYSA-N 365.389 1.564 0 40 FDAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O 46715309 HJYQPJZSMVQHPE-OAHLLOKOSA-N 370.453 1.227 0 40 FDAB COC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1 106615554 DQKFCZMSSOHKHA-QGZVFWFLSA-N 358.442 1.105 0 40 FDAB O=C(NC[C@H](O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1O 61720526 LVRQZUYGNITGSM-AWEZNQCLSA-N 350.758 1.540 0 40 FDAB O=C1C[C@@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)nc2N1 101109331 AWJLXRXORKHPHU-MJBXVCDLSA-N 365.393 1.889 0 40 FDAB CCn1ncc(Cl)c1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 20528403 RPFWOXJCECTLLB-UHFFFAOYSA-N 364.881 1.865 0 40 FDAB O=C(CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)N1CCCC1 35344184 DFFNEWMJPJLZTG-UHFFFAOYSA-N 366.465 1.858 0 40 FDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 1789731 SQAQYUCHNIWONM-UHFFFAOYSA-N 359.405 1.833 0 40 FDAB biogenic Cc1cccc(COC[C@@H]2CCOC23CN(c2ccc4nncn4n2)C3)n1 306130550 JJJYKAUXRMRVJV-HNNXBMFYSA-N 366.425 1.640 0 40 FDAB CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cnn(C)c2C)c1 58194761 VZJQOSWARSIWAB-NSHDSACASA-N 351.428 1.945 0 40 FDAB CC[C@@H]1CN(C(=O)CNc2ccc(Br)cc2C(N)=O)CCO1 58210585 YJFRVRNUSIXAFM-LLVKDONJSA-N 370.247 1.597 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 12602221 DPBLJUNIERFSGG-BIENJYKASA-N 359.426 1.480 0 40 FDAB CC(C)N1C[C@@]2(CCN(C(=O)C3CC3)C2)Oc2ccccc2S1(=O)=O 306134591 NSULSNTUVIAQCB-SFHVURJKSA-N 364.467 1.859 0 40 FDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1cccc(Br)c1 3328917 GMNBDOPFMSZJIT-UHFFFAOYSA-N 351.156 1.878 0 40 FDAB COc1cc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc(OC)c1 3377459 AQRKLVBLLYRZHK-UHFFFAOYSA-N 363.370 1.089 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)N1 70076843 IIBLPZYDXJDQQT-RKDXNWHRSA-N 351.241 1.959 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497898 LDTTYQDMCIKFHS-MRXNPFEDSA-N 371.345 1.795 0 40 FDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12900470 ZUUZZLQJNDNGKN-UHFFFAOYSA-N 364.405 1.825 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)cc1 38291144 OGDJCSHMOBCQCK-UHFFFAOYSA-N 367.515 1.464 0 40 FDAB CC(=O)Nc1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 8343952 RVSPFAJERXGOPW-UHFFFAOYSA-N 358.398 1.791 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 69486154 YFBNIZHWUCMGAI-STQMWFEESA-N 357.414 1.342 0 40 FDAB O=C(Cc1ccc(F)cc1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306135439 OQTCAJCUURAFJE-USXIJHARSA-N 356.401 1.744 0 40 FDAB O=C([C@H]1CN(CC2CCOCC2)Cc2cncn21)N1CCC(F)(F)CC1 306125600 CVFIDQKKXCEYLV-MRXNPFEDSA-N 368.428 1.924 0 40 FDAB CC1=NN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@](O)(C(F)(F)F)C1 6263563 VVJJSNFJTPZMLH-CYBMUJFWSA-N 354.292 1.064 0 40 FDAB Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 14190340 BJFPFDHKXDOPGK-VOTSOKGWSA-N 357.454 1.011 0 40 FDAB O=C(Cn1cnnn1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 6879423 OIDQGVIGSYJWND-UHFFFAOYSA-N 355.427 1.327 0 40 FDAB O=C1CNC(=O)N1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 6846178 KFVXOGHLOITFKK-HNNXBMFYSA-N 351.362 1.705 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 15029707 YELSHGOWKKWNSA-ZDUSSCGKSA-N 360.501 1.019 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@@H]2C(C)C)cc1 4999052 AYOIPNUKAVMPSD-HNNXBMFYSA-N 355.460 1.665 0 40 FDAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(c2cnccn2)CC1 25342537 JIHJPFXYFXNVRT-SFHVURJKSA-N 368.437 1.997 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 15539272 PDIYJKUCIWKRLL-UHFFFAOYSA-N 360.395 1.359 0 40 FDAB Cc1nn(C)c2c(N3CCN(C(=O)CCc4ccccc4)CC3)ncnc12 28557295 WURJSYGXQWNRLY-UHFFFAOYSA-N 364.453 1.953 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCCN1C(=O)c2ccccc2C1=O 8883979 ZQSMWGOYVGMTSN-UHFFFAOYSA-N 355.350 1.059 0 40 FDAB Cn1c(=O)c2cc(NC(=O)c3cc4ccccc4o3)cnc2n(C)c1=O 9049037 OZKLLOBWNAXCMS-UHFFFAOYSA-N 350.334 1.631 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)NCc1ccccc1)C(=O)O 71279520 GIHXWYZPKSFGGW-KRWDZBQOSA-N 372.469 1.876 0 40 FDAB CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2F)c1C 71793092 JADBGCOPTRVAFT-INIZCTEOSA-N 373.384 1.282 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cc1 19913963 VTDGWWDSXLSZKQ-UHFFFAOYSA-N 374.466 1.547 0 40 FDAB CC(C)(C)[C@@H](NC(=O)NCc1cccnc1)c1nc(-c2nc[nH]n2)no1 95972763 FSDJOPMANJKZFI-NSHDSACASA-N 356.390 1.836 0 40 FDAB CS(=O)(=O)C[C@@H](NC(=O)NCCCn1ccnc1)c1ccccc1 89484167 MPECBVDDCGEJJJ-OAHLLOKOSA-N 350.444 1.358 0 40 FDAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)Nc2ccccc2)CC1 20466007 WKEYWLRIIGYFGP-VSZNYVQBSA-N 363.458 1.029 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CC2(C[C@@H](COCc3ccncc3)CCN2C)C1 306137645 RCDOEEDYRBFBEH-INIZCTEOSA-N 353.488 1.344 0 40 FDAB Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCN1CCOCC1 547338242 RPIGFTNGEDPWIA-UHFFFAOYSA-N 360.483 1.942 0 40 FDAB Cc1cnc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)s1 409218810 LBFJIJXNGASOPX-UHFFFAOYSA-N 371.374 1.676 0 40 FDAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)N(CC)CC)nc12)OCO3 72346880 SRPAXGCQKMUDGT-UHFFFAOYSA-N 370.409 1.809 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1C(F)F 563528537 CMFFIYXRKOYBIY-GHMZBOCLSA-N 361.414 1.856 0 40 FDAB O=C(NC[C@@]1(OCCO)CCSC1)c1cncc(Br)c1 1565520396 RKVQMATWABBVHM-ZDUSSCGKSA-N 361.261 1.459 0 40 FDAB C[C@H]1C[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CO1 566734763 HWZHZAGCLHBWLO-NKWVEPMBSA-N 353.213 1.825 0 40 FDAB COc1ccc(-c2nn(CC(=O)Nc3ccon3)c(=O)cc2OC)cc1 96183148 RPWBEMIGEPUKSG-UHFFFAOYSA-N 356.338 1.554 0 40 FDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCN(c3ncccc3F)CC2)CC1=O 90603991 CUHJVQSFLQXEIY-ZDUSSCGKSA-N 363.437 1.452 0 40 FDAB Cc1cc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)sn1 96105235 KWMMIJCPQSTCSD-UHFFFAOYSA-N 370.442 1.677 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccco1)C2 96050147 TZGNDUDVWMHVIV-FQEVSTJZSA-N 367.405 1.760 0 40 FDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230215 NLDPJKAUWOWACW-JRATXPSKSA-N 350.802 1.537 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1 247824511 JAEYWLBLVSKYKG-CQSZACIVSA-N 364.396 1.556 0 40 FDAB Cc1cccc(C(=O)NC[C@]2(O)C[C@H](c3ccccc3)O[C@H](C)[C@H]2O)n1 257227513 FPQOZMKLFLWPJH-VXXKDZQQSA-N 356.422 1.762 0 40 FDAB CC(C)n1nccc1CN1C[C@@H](O)[C@H](Oc2ccc(CC(=O)O)cc2)C1 257319692 VTQIMMKNLRKNSI-QZTJIDSGSA-N 359.426 1.715 0 40 FDAB Cc1c(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cnn1-c1ccccc1 644393468 ADDUXGZCINPCTN-INIZCTEOSA-N 351.414 1.533 0 40 FDAB CCc1c(NC(=O)CN2CCCC[C@@H](O)C2=O)cnn1CCC(C)C 644452153 QBCXSNJIUIROQO-MRXNPFEDSA-N 350.463 1.804 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCNC(=O)[C@@H]1CC(C)C 647159304 VETZNIVYFKTHSK-ROUUACIJSA-N 357.454 1.727 0 40 FDAB CCCc1nc(CN2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cs1 681941820 SEMBQWJCRWKCJY-CQSZACIVSA-N 355.460 1.230 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390829211 XJXQVHCWUXKMRE-HNNXBMFYSA-N 367.409 1.801 0 40 FDAB Cn1cc(-c2noc(CNC(=O)Cc3cn(C)c4ccccc34)n2)cn1 390832324 YQNMYIBPRBWGCK-UHFFFAOYSA-N 350.382 1.821 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575405168 WQZKSOZWIMSHEO-AWEZNQCLSA-N 364.467 1.927 0 40 FDAB COCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 585095669 AQOSEOJIFCOSOA-CQSZACIVSA-N 362.455 1.223 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 55246038 RUPSWANHRRWIDH-UHFFFAOYSA-N 350.799 1.040 0 40 FDAB Cc1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1N1CCNC1=O 64082854 NYUFKQPMAWRJPC-INIZCTEOSA-N 353.378 1.908 0 40 FDAB 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1.611 0 40 FDAB O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCOCC1 2720464 XBOIWZRFKAUDIS-UHFFFAOYSA-N 363.395 1.459 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccccn3)CC2=O)cc1OC 4272709 DEUTVFFNUNSHLK-AWEZNQCLSA-N 370.409 1.704 0 40 FDAB CC(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250733 MENYUKMUUCUHBR-UHFFFAOYSA-N 367.471 1.717 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc4c(c3)OCO4)ncnc21 13532146 FWQKINLLFILTAP-UHFFFAOYSA-N 358.383 1.701 0 40 FDAB Cc1csc(NC(=O)CSc2nnc(N3CCN(C)CC3)s2)n1 23139737 RGJKWTUGKMPVMT-UHFFFAOYSA-N 370.529 1.786 0 40 FDAB CC(C)NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 35506054 XTAJCDYGTPEJOI-UHFFFAOYSA-N 354.366 1.416 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC(Oc2ccnc(C)n2)CC1 585334547 MROZSHNFHSTZOQ-HNNXBMFYSA-N 366.487 1.413 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4ncnc5ccsc45)C3)nn12 585607598 RBRAHBPWYOLSCJ-UHFFFAOYSA-N 352.427 1.762 0 40 FDAB C[C@H]1CN(C(=O)CN2CCC(Oc3ccn4nccc4n3)CC2)C[C@@H](C)O1 2298051616 XQNWVDMYJOELSZ-GASCZTMLSA-N 373.457 1.208 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CC(c4nnc5ccccn45)C3)nn12 2298230599 YQYFBJNQITZTAO-UHFFFAOYSA-N 360.303 1.790 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 101016546 OVBANGPEBYGADX-PSASIEDQSA-N 371.136 1.377 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 51530200 XXHOQFDFCBTQGB-SJLPKXTDSA-N 362.451 1.644 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 29203094 NODZWGKCWYVLGZ-CYBMUJFWSA-N 366.418 1.370 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(F)cc2)cc1 3327222 DFUYGRNSJKUDFM-UHFFFAOYSA-N 352.387 1.211 0 40 FDAB COc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 3434817 YMIPMSMFQJJTQA-UHFFFAOYSA-N 368.345 1.473 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691762 OLIIMONMVGDYDK-CWSCBRNRSA-N 364.345 1.341 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4884864 UMBNESFENUNIQZ-WZTLGTBRSA-N 364.829 1.927 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1cccs1 10040788 NMNVSRUERABKBG-UHFFFAOYSA-N 360.391 1.020 0 40 FDAB CCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21874450 ZYWFEUAZQGYESL-INIZCTEOSA-N 370.471 1.677 0 40 FDAB O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCCCC1 12029257 AROUJHGKXQJSND-HNNXBMFYSA-N 371.480 1.274 0 40 FDAB Cc1cccc(N2CCN(C(=O)c3cnn4c(=O)cc(C)[nH]c34)CC2)c1 102905289 GKMMJBNYFRIIIV-UHFFFAOYSA-N 351.410 1.602 0 40 FDAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 22239710 CCGPMXJKVCDSDV-RYUDHWBXSA-N 366.468 1.051 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22618848 GYRVFMQXDRQEHN-OCCSQVGLSA-N 368.455 1.526 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)CC1 52410655 WOBNKWTXJMBVEL-UHFFFAOYSA-N 368.503 1.790 0 40 FDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1ccc(C(N)=O)cc1 12557566 CJEVXQVVXXBFKP-GHMZBOCLSA-N 368.393 1.944 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420292 ZHTHIOFSQYRLSB-AHXJXLJNSA-N 364.829 1.927 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCCSc3ccccc32)C1=O 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CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 278364737 LXLNIWXGYXTKJZ-VZJVUDMVSA-N 358.360 1.734 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)N1 1775960108 SNOFVMMFVDVHMH-KGLIPLIRSA-N 354.353 1.540 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2cc(=O)n3nccc3[nH]2)C1 1775957445 VGEZOUHWQGOKJQ-GOEBONIOSA-N 355.398 1.086 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1cn(C)nc1-c1ccccc1)N(C)C2 644409787 MDJOOLGKSFQMIU-OAHLLOKOSA-N 351.414 1.440 0 40 FDAB CCc1c(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)cnn1CCC(C)C 644445826 ZSJOKCFJSMWXHD-MRXNPFEDSA-N 359.478 1.844 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 585100982 QCHOHZWGGZLXPE-KRWDZBQOSA-N 357.439 1.901 0 40 FDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1ccccn1 585095848 PECRMZXCLSKNSL-KRWDZBQOSA-N 353.426 1.668 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(C(=O)CCCn3ccnc3)CCO2)c1 585278313 RSLXKDDEIQPFTJ-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB Cc1cccc(C)c1OCC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 685943621 ZIWVPHCPJIIHAU-ARFHVFGLSA-N 358.442 1.482 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0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 57027239 OHDNZVNMPZLGPY-LLVKDONJSA-N 350.362 1.947 0 40 FDAB CN1CCS(=O)(=O)C[C@H]1CC(=O)NCc1cc(C2CC2)ccc1F 644477482 RKSYCCNDUBBRHU-OAHLLOKOSA-N 354.447 1.438 0 40 FDAB COC(=O)C[C@@]1(C(=O)OC)Nc2ccc(Br)cc2C(=O)O1 5104691 YXWYNGFSKCVTKA-CYBMUJFWSA-N 358.144 1.464 0 40 FDAB O=C(Cc1ccccc1F)N1CCc2nc(-c3cnccn3)nc(O)c2C1 12258407 PMWNDEHYRMXKNJ-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 13154636 VUPGBLWVWFMDOK-DRMAHVMPSA-N 366.385 1.992 0 40 FDAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4CCN(CC(N)=O)CC4)cc3c2C1 14482371 AHTUYBDUJHHNMN-CYBMUJFWSA-N 368.481 1.972 0 40 FDAB O=C(O)c1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccc1O 633138173 CPSPHTXLFSUXGQ-QGZVFWFLSA-N 356.378 1.930 0 40 FDAB COCCn1cnc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1888904223 AHGNDABGTYIAPF-UHFFFAOYSA-N 352.442 1.795 0 40 FDAB COCCN1CC=CCC2(CCN(C3CCN(C(C)=O)CC3)CC2)C1=O 2037834864 YKLDIPWIUODGCJ-UHFFFAOYSA-N 363.502 1.514 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542962 NEYUUVVBVDBAAS-NJYSJTHYSA-N 372.465 1.888 0 40 FDAB O=C(/C=C/c1cccs1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565542446 AQQDFBFOELUPGP-XGACYXMMSA-N 354.439 1.908 0 40 FDAB CCSc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1 9828836 UTNPXZVADFMUBY-UHFFFAOYSA-N 369.457 1.341 0 40 FDAB Cc1nnsc1C(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 11666059 YPYFHKTUGMSZDY-UHFFFAOYSA-N 372.458 1.407 0 40 FDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc3nncn3n2)CC1 13700251 OUMFZBRALMKCGE-CYBMUJFWSA-N 370.388 1.380 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)o1 13792909 IASAWWHJSCHDRI-LBPRGKRZSA-N 350.400 1.489 0 40 FDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732345 CGMVFGNOEZAOHM-MRXNPFEDSA-N 373.428 1.862 0 40 FDAB O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCCCC1 22697720 PPBSHDQNRYXNSZ-UHFFFAOYSA-N 355.442 1.333 0 40 FDAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 24217346 NGVNKZIHRDOHBX-UHFFFAOYSA-N 367.402 1.659 0 40 FDAB O=C(c1ccc(Cl)o1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 30648510 MLEOIGNLNYQBHR-UHFFFAOYSA-N 372.812 1.899 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40011963 BBEOMBVXHGOSNX-OAHLLOKOSA-N 374.408 1.725 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C1CC1 40106213 HFGNMBLILDXKBI-WZRBSPASSA-N 355.464 1.006 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 101017570 LNBHNJBXJRJWQB-PWSUYJOCSA-N 364.745 1.423 0 40 FDAB CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2OC(=O)c3ccccc32)cc1 4101908 HXBKMJFXFMGTDJ-KRWDZBQOSA-N 374.418 1.513 0 40 FDAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6552841 VLIKIIWIZJTTIL-UHFFFAOYSA-N 351.366 1.106 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CN(C)Cc2cccc(F)c2)CC1 7360486 GTKGJDRGVSFFEL-UHFFFAOYSA-N 351.422 1.995 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1 10385196 NQEIQFILAWBMFR-UONOGXRCSA-N 350.440 1.795 0 40 FDAB O=C(Cc1ccccc1)N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 32932598 KGVZPRKLXQZEMI-UHFFFAOYSA-N 369.465 1.650 0 40 FDAB Cc1cnc(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cn1 22699517 DFNORYOJXOCIOA-UHFFFAOYSA-N 362.455 1.543 0 40 FDAB Cn1cnc2cc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)ccc21 75327498 PODSZYNIEJLDGL-KRWDZBQOSA-N 362.393 1.632 0 40 FDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc3c(c2)OCO3)N1 12347260 BWQPLKKGAMQHKH-BDJLRTHQSA-N 357.366 1.045 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 23174936 JEWFEMXPYJIYGI-UHFFFAOYSA-N 362.451 1.713 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1C 22268046 VXHGMBMVKKMBSY-INIZCTEOSA-N 362.451 1.769 0 40 FDAB CN(CCOc1ccccc1)C(=O)CCn1nnc2ccccc2c1=O 23570735 GCHGYMAWPUBDGJ-UHFFFAOYSA-N 352.394 1.719 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 24475419 UZYXQFAKZXRRND-UHFFFAOYSA-N 370.862 1.498 0 40 FDAB O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)N1CCOCC1 100568477 TXEAKGNGVYRGGV-NXNVCVFFSA-N 352.390 1.471 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1 58210922 AQLBEPWUQSIHKC-KBPBESRZSA-N 369.487 1.423 0 40 FDAB CCCc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)[nH]n1 24778701 YHAPOLZKTXAIOI-UHFFFAOYSA-N 366.429 1.300 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 57027238 OHDNZVNMPZLGPY-NSHDSACASA-N 350.362 1.947 0 40 FDAB CCCn1c(S[C@H](CCO)C(=O)O)nc2cc(S(N)(=O)=O)ccc21 12628278 HXRYHHUZFXUWFS-GFCCVEGCSA-N 373.456 1.021 0 40 FDAB CNC(=O)c1ccc(CN(CC(=O)N2CCOCC2)Cc2ccco2)cc1 26925204 MNSJKGWAJOWNRB-UHFFFAOYSA-N 371.437 1.500 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](NC(C)C)C2)cc1 58162453 CIDOUNVCANNLCP-MRXNPFEDSA-N 367.515 1.605 0 40 FDAB CCN(c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1)C(C)C 58222755 DGZHYXAJFYLCIF-UHFFFAOYSA-N 358.442 1.736 0 40 FDAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2382966 CYIZJOKSXQBCKE-QGZVFWFLSA-N 360.439 1.907 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11075524 LIQZVFSBZYPGSN-UHFFFAOYSA-N 350.378 1.334 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)ncnc21 12977037 NAISRTUGMKZQDA-UHFFFAOYSA-N 373.420 1.874 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 13141908 YIOJKFJHBLLWAO-GJZGRUSLSA-N 372.421 1.960 0 40 FDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccccc1 14117699 UWVBNLGOLPRGRX-XOBRGWDASA-N 368.389 1.656 0 40 FDAB CNC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 6551256 WGRFAFLGSZNJES-UHFFFAOYSA-N 354.428 1.072 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 6561621 ZMERXUDJAISAAX-UHFFFAOYSA-N 351.815 1.454 0 40 FDAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N=C(O)[C@H]3[C@@H]3C=CC=NN32)cc1 18152823 MNYXCNOYTXONHX-ZQDZILKHSA-N 353.334 1.132 0 40 FDAB CC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 7667698 WUVZPFRIRYMUGQ-UHFFFAOYSA-N 361.261 1.610 0 40 FDAB CN(Cc1cccs1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7676020 IBFUPOFMVVDXJA-UHFFFAOYSA-N 357.391 1.800 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCO 409197400 DPBTZANCWRYVOZ-UHFFFAOYSA-N 368.499 1.729 0 40 FDAB CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 89802173 CLLUTTCMHCKNNC-INMHGKMJSA-N 361.442 1.039 0 40 FDAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC1CC1 9314808 OWGGWJAUWXNUSQ-UHFFFAOYSA-N 368.503 1.839 0 40 FDAB COc1ccc(NC(=O)[C@H](C)SCc2nc(N)nc(N)n2)cc1OC 9335572 DTZAPVHSMDSTKI-QMMMGPOBSA-N 364.431 1.314 0 40 FDAB CCOC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 89978209 CRDAZSLKZAOTGK-UTKZUKDTSA-N 372.465 1.879 0 40 FDAB CCCn1nc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)OC)ccc1=O 72310564 MFGDBRZBBUBCIQ-DYVFJYSZSA-N 357.410 1.934 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 89505729 RRTMQMGHMADQJH-UYAOXDASSA-N 370.497 1.579 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)c1C 36610993 IPWQDZFAQSTVOJ-DLBZAZTESA-N 360.458 1.523 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@]2(CN(Cc3ccccc3)c3cccnc32)C1 306123635 ASRNVADKBCSLMD-IBGZPJMESA-N 372.494 1.852 0 40 FDAB COCCn1cc([C@H]2[C@H](CN[C@H]3CCOC3)CC(=O)N2C(C)(C)C)cn1 509067018 JMDBCUXKHKJCPU-QILLFSRXSA-N 364.490 1.596 0 40 FDAB CN(C)c1ncc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)n1C 511218515 VTLZDIYPSDFIGD-UHFFFAOYSA-N 360.809 1.045 0 40 FDAB CC(C)CCn1cnc2ccc(NC(=O)CCCn3cnnn3)cc2c1=O 524733527 RLHYVCFPCYRGHB-UHFFFAOYSA-N 369.429 1.848 0 40 FDAB O=C(NCCCN1CCOCC1)c1cc(Sc2ncccn2)ccn1 72243497 JCYZOXCRVHNWTK-UHFFFAOYSA-N 359.455 1.475 0 40 FDAB CC(C)(C)OC(=O)NC1CCN(Cc2oc(CO)cc(=O)c2O)CC1 71283187 ZNFXLOTZEYQOMT-UHFFFAOYSA-N 354.403 1.327 0 40 FDAB O=C(CS(=O)(=O)C1CC1)N1CCCN(Cc2ccc(F)cc2)CC1 562652034 FQDDJJKBQPTNHV-UHFFFAOYSA-N 354.447 1.437 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225878809 WOFCJJKJKPMTRX-STQMWFEESA-N 364.519 1.712 0 40 FDAB CC1(c2nc(=NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)s[nH]2)CC1 529704225 KOSWVGCNIRPKDY-CYBMUJFWSA-N 372.450 1.378 0 40 FDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccccc1Cl 224274751 MMILYNUKCVWARO-UHFFFAOYSA-N 354.819 1.767 0 40 FDAB O=C(CN1CCN(CCOc2ccccc2Cl)CC1)N1CCCC1 48364719 JRHCIKONDBFHRL-UHFFFAOYSA-N 351.878 1.959 0 40 FDAB Cc1cc(S(=O)(=O)Nc2nccs2)ccc1OCC(=O)N(C)C 223249414 LAVYHWYEYCCXHN-UHFFFAOYSA-N 355.441 1.719 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC1CCN(c2nccn2C)CC1 332271636 FKHGSJJXFOUJOF-UHFFFAOYSA-N 364.471 1.684 0 40 FDAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccc(O)c2)o1 96115441 FKGRSKGXFJBMOG-HNNXBMFYSA-N 359.378 1.740 0 40 FDAB biogenic CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 98086214 UKSABCVJLBOJSW-AWEZNQCLSA-N 373.906 1.517 0 40 FDAB COc1ncccc1C(=O)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96207940 MTRGKXYXORDPFN-KXBFYZLASA-N 355.394 1.938 0 40 FDAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCCCC4)cn23)C1 96267638 KHSWGKGWXSVQOO-AWEZNQCLSA-N 370.457 1.826 0 40 FDAB Cc1ccn(CCC(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)n1 257241432 HYAHFOGGCKYINB-IRXDYDNUSA-N 354.410 1.224 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)CCO1 257273072 NFDLNRNMEZBTDB-CQSZACIVSA-N 354.414 1.424 0 40 FDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1cnccn1 257245133 IOEFKGWUDAPJKV-OPNNQBFTSA-N 360.458 1.527 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)ncn1 257293141 QOHQIJBEAQISTJ-QGZVFWFLSA-N 356.426 1.197 0 40 FDAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257234373 GTFZVPMQCRFWDW-CYBMUJFWSA-N 351.432 1.692 0 40 FDAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CCC(N)=O)CC2)nn1C 257296125 RBJMZYJGGIRKJV-WKILWMFISA-N 363.506 1.479 0 40 FDAB Cc1nn(C)c(C)c1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257288332 PTTWUNFZVUBSEM-CQSZACIVSA-N 363.487 1.708 0 40 FDAB Cc1cccnc1[C@@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C 265189217 OEHXWFZDVVVKEM-CABCVRRESA-N 368.503 1.810 0 40 FDAB CCn1nccc1N1CCC[C@@H](NC(=O)N(C)CC2=CCCOC2)C1=O 685938910 AVFXDKMCHNVURL-OAHLLOKOSA-N 361.446 1.387 0 40 FDAB O=C(O)Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 606145708 UMBNKRIZYGHVLI-LLVKDONJSA-N 366.443 1.637 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2nccc(C(F)(F)F)n2)C1 643693558 QGMRUQBEZCNGTI-ZDUSSCGKSA-N 356.308 1.429 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(F)cc1Br 643944440 DLKHMDOZAUDSIP-AWEZNQCLSA-N 359.195 1.695 0 40 FDAB O=C(N[C@@H]1CCSC1=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828098 OQEBXQVLFQDMER-CQSZACIVSA-N 354.435 1.728 0 40 FDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12)c1ccsc1 575402511 BIPJFUPRHPQHIO-USXIJHARSA-N 372.446 1.971 0 40 FDAB O=C(CCc1c[nH]c2ccccc12)N1CC[C@](O)(CN2CCOCC2)C1 585182352 ZLCXLOLUZZWNSS-FQEVSTJZSA-N 357.454 1.396 0 40 FDAB COCCNC(=O)C[C@H]1CN(Cc2cccnc2OC)Cc2cccn2C1 585099179 RLOAMIGVCLRUPY-INIZCTEOSA-N 372.469 1.676 0 40 FDAB O=C(NCCNc1cnccn1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 56497797 GNHNNEKCQOFKJQ-UHFFFAOYSA-N 370.388 1.322 0 40 FDAB O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1ncncc1Cl 502324702 FFJQCCPPNSJXIP-CJNGLKHVSA-N 357.801 1.759 0 40 FDAB CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)C=O)cc1)C(=O)OCC 5004406 ACZXKHUAGFRWOR-HNNXBMFYSA-N 364.398 1.284 0 40 FDAB CCc1nn(CC(=O)NCCCN(C)C)c(=O)c2cc3ccsc3n12 12114316 AKRALAKVASZSAK-UHFFFAOYSA-N 361.471 1.341 0 40 FDAB COCC(=O)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12141849 AJXGIXHIDOVBIX-AWEZNQCLSA-N 371.393 1.276 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 12142489 OGZJJHUAOSYJAJ-ZCVOSGHJSA-N 371.437 1.654 0 40 FDAB CCN(Cc1cc(=O)n2ccccc2n1)Cc1nc2ccccc2c(=O)[nH]1 12996946 XJPWPSWDEMBVLK-UHFFFAOYSA-N 361.405 1.953 0 40 FDAB O=C(c1ccccn1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267468 DZMFEHKWDMMONY-UHFFFAOYSA-N 364.405 1.459 0 40 FDAB CN1CCN(C(=O)Nc2ccc(NC(=O)N3CCN(C)CC3)cc2)CC1 19075235 UBHJVYSWNGIBHV-UHFFFAOYSA-N 360.462 1.245 0 40 FDAB Cc1nn(C)cc1CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1 19583798 FKVSFAHDYAQHTQ-LLVKDONJSA-N 355.489 1.363 0 40 FDAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 19910575 YBQVAZOPSDXUEF-UHFFFAOYSA-N 357.395 1.475 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@@]2(C/C=C(\C)C(=O)O)[C@@H]1O 105426456 AGWIINKICRXDEB-UBEBDLFUSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 4853719 QETWCIZJGMNCRT-UHFFFAOYSA-N 360.393 1.428 0 40 FDAB O=C(CN1CCC[C@@]2(CCCN(C(=O)c3cnco3)C2)C1)N1CCCC1 2056224679 PGPMHMMWBWNNAG-LJQANCHMSA-N 360.458 1.615 0 40 FDAB Cc1nc2ncnn2c(N2CCN(Cc3ccncc3F)[C@H](C)C2)c1C 2086967243 CAEXGWMLOSFFPQ-GFCCVEGCSA-N 355.421 1.986 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 2952177 RYGIIORIKZGBQZ-UHFFFAOYSA-N 351.406 1.829 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 225807986 QXARTIRSSAYNLX-GFCCVEGCSA-N 351.366 1.722 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 245020870 MKYFGWPNAYVGCL-CQSZACIVSA-N 369.493 1.758 0 40 FDAB COc1ncccc1NC(=O)NCCNS(=O)(=O)Cc1ccccc1 40121642 VTWDHSJFTLNSNN-UHFFFAOYSA-N 364.427 1.331 0 40 FDAB CCc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H]3C(N)=O)CC2)cc1 40150923 GQPBTWWOYIUBMU-QGZVFWFLSA-N 357.454 1.578 0 40 FDAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 11518795 ZIHAHOPOXISCLM-UHFFFAOYSA-N 356.407 1.850 0 40 FDAB CCOCCCNc1nc2nnnn2c2sc3c(c12)CCN(CC)C3 20503504 NQWMJKCMQXSKCV-UHFFFAOYSA-N 361.475 1.951 0 40 FDAB CS(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 11795925 GDFNBYRNRLTMKD-LBPRGKRZSA-N 355.441 1.281 0 40 FDAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 3531386 DXSHWZWTUKTYSW-LLVKDONJSA-N 351.380 1.201 0 40 FDAB CNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 4519560 QCPPNZGNRJRHDR-AWEZNQCLSA-N 366.464 1.434 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6399611 BEFORCFFPINKCM-XWUBHJNHSA-N 362.430 1.728 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2coc3ccccc3c2=O)cc1 7987146 XITIAKGTWQXZOL-UHFFFAOYSA-N 358.375 1.370 0 40 FDAB C[C@@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccc2c(c1)CCCC2 32802737 IPKOKRUBVCQWNF-CQSZACIVSA-N 358.486 1.875 0 40 FDAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2cccnc2)CC1 107180180 RHSVOPFSHHNBKX-ZWKOTPCHSA-N 370.497 1.732 0 40 FDAB C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847806 HQDXSYRQBAPCJC-OAHLLOKOSA-N 359.470 1.980 0 40 FDAB C[C@]1(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCS(=O)(=O)C1 22552815 LOMFSYMKZSQNHD-HNNXBMFYSA-N 359.831 1.347 0 40 FDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 102206744 LHMHDOPIYYXELT-ZNIXKSQXSA-N 353.758 1.950 0 40 FDAB COc1c(C[C@@H]2CC(CN3CCOCC3)=NO2)cc2c(c1OC)OCO2 12418034 UCLZOGAFLILEAB-CQSZACIVSA-N 364.398 1.452 0 40 FDAB C[C@@H](CC(=O)N1CCN(Cc2nccn2C)CC1)NC(=O)C1CCCC1 106028751 PRALZMJAJQEFGR-HNNXBMFYSA-N 361.490 1.149 0 40 FDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 12567217 FLXXXWYLIRGCCV-OXJNMPFZSA-N 373.453 1.872 0 40 FDAB Cc1ccoc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25382247 NJRCQJWPYLUGGQ-MRXNPFEDSA-N 356.378 1.712 0 40 FDAB Cn1cc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cn1 25306627 DWMNSFMCICBYCV-GFCCVEGCSA-N 373.438 1.220 0 40 FDAB CONC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12526343 APWAIYLLDRYDTQ-UHFFFAOYSA-N 364.379 1.550 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1 28208480 ZNUKRZFHCHBYEI-UHFFFAOYSA-N 367.515 1.424 0 40 FDAB CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCC[C@H]2C(N)=O)C1 20462988 WMENMDXMKVWLFF-KKUMJFAQSA-N 367.490 1.312 0 40 FDAB biogenic,in-vitro Cc1ccn2c(=O)cc(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)nc2c1 12617079 KUTZSNCLLDQKDG-INIZCTEOSA-N 362.389 1.666 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48131753 KSLJTZPCSHPCKY-IYBDPMFKSA-N 372.429 1.854 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 58368017 IWGBWANMNLCMBH-OAHLLOKOSA-N 368.499 1.903 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2ncsc2=S)CC1 12787389 CAKKUHVXFCVMCM-UHFFFAOYSA-N 374.488 1.777 0 40 FDAB CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(NC(N)=O)cc1 48290423 KQTPNUASADXPRM-ZDUSSCGKSA-N 352.460 1.441 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 48341730 MFHWPCGMFCJERI-HUUCEWRRSA-N 359.426 1.777 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)nn12 12820373 UNOAEHHHMKEMPN-SNVBAGLBSA-N 350.338 1.587 0 40 FDAB CC1CCN(Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC1 12864048 PWSBZYKHOFNWGC-AWEZNQCLSA-N 367.519 1.700 0 40 FDAB CN(Cc1csc(Br)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48963570 WNJNNEJNKCRDCK-SECBINFHSA-N 367.290 1.839 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(N)=O)cc2)c1C 6290336 IQSFJNAGMOHAEV-UHFFFAOYSA-N 355.394 1.536 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704546 PHVZBOCJYDEPCT-VXGBXAGGSA-N 356.444 1.527 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)Cn1nnc3ccccc3c1=O)OCO2 6671941 NRFUWZKMFBIZTO-UHFFFAOYSA-N 366.333 1.362 0 40 FDAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccccc4)CC3)ncnc21 14813225 FJZNAVRLQAPEOO-UHFFFAOYSA-N 351.414 1.124 0 40 FDAB CN(C)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(C(N)=O)cc2)C1 67205613 DYKFKMHNLWAMJG-MRXNPFEDSA-N 353.422 1.684 0 40 FDAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(c2ncccn2)CC1 7376235 CHCNPZGRFDBJPX-UHFFFAOYSA-N 358.345 1.405 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)CNC(=O)c2cc(Cl)ccn2)cc1 7848607 VUBBRXBISPOHED-UHFFFAOYSA-N 374.828 1.483 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H](c1ccccc1)n1cnnn1 95476432 KTONMNVQKHJQAC-SFHVURJKSA-N 361.409 1.888 0 40 FDAB CC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 75092269 FRNIHLKGNKMBHH-IYBDPMFKSA-N 358.486 1.911 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C)c(Br)c1 75110966 OJPOBMFNGIKAEE-LLVKDONJSA-N 363.277 1.936 0 40 FDAB COc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)c(OC)c1 22266960 RCTXUQFPULEMIH-OAHLLOKOSA-N 351.366 1.701 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(C(=O)OC)cc1Br 29019725 QPYIQVBBJBKXTE-SECBINFHSA-N 360.204 1.766 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccncn1)C2 306141564 WAOXFESFWNHQAY-AWEZNQCLSA-N 371.416 1.626 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1C 408608698 RWIWJVWYHUBGGI-UHFFFAOYSA-N 362.451 1.884 0 40 FDAB CC(=O)Nc1ccc(F)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 32754260 JESHCLQGOWERDR-UHFFFAOYSA-N 362.361 1.587 0 40 FDAB O=C(c1cc2ccccc2oc1=O)N1CCN(CCn2cccn2)CC1 62022002 NJTOVCGWPNCPRH-UHFFFAOYSA-N 352.394 1.448 0 40 FDAB CN1CC(=O)N(CCCC(=O)NCCc2cnn(-c3ccccc3)c2)C1=O 40039427 UJZLQLBOTDYEQJ-UHFFFAOYSA-N 369.425 1.205 0 40 FDAB CN(C)CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 222813942 SMPIXYJMGKJNFF-UHFFFAOYSA-N 369.472 1.020 0 40 FDAB O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 224831396 HPKIPPDELGPDPX-UHFFFAOYSA-N 367.354 1.877 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ncc2ccccc2c1=O 46635550 RGWYIIZJFNQYBS-KRWDZBQOSA-N 365.389 1.297 0 40 FDAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4nc[nH]n4)ccc23)cc1 40372795 YNLBTYWVKMVRIE-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB O=C(Nc1nncs1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44917242 JSGYKLPESOUASD-ZDUSSCGKSA-N 361.427 1.130 0 40 FDAB O=C(c1ccc(F)c(Cl)c1)N1CCN(C2CCS(=O)(=O)CC2)CC1 225811238 DJOQKFCXPKCHKC-UHFFFAOYSA-N 374.865 1.814 0 40 FDAB CC(C)(C)SCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44786543 NCVVBCQTZNGIGN-AWEZNQCLSA-N 372.512 1.862 0 40 FDAB CC(C)[C@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCO1 331678227 TVMNVMPDIDPBCW-SNVBAGLBSA-N 355.382 1.875 0 40 FDAB Cc1ccsc1CN1CC[C@H]2OCC[C@@]2(CCNS(C)(=O)=O)C1 96206740 OOGAJYXNKMJPGK-CVEARBPZSA-N 358.529 1.977 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(Cc1ccoc1)CC2 96254607 CMRNPIMKEKCDLJ-UHFFFAOYSA-N 357.458 1.573 0 40 FDAB Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243886 UQRKTFPMZDOYOV-MRXNPFEDSA-N 373.432 1.885 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](COCC(=O)N3CCCC3)C2)no1 247889299 FLPAEVKXPNKGSD-KRWDZBQOSA-N 359.430 1.375 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 247777276 XUVRVTIIIDQCKO-NFQYFHPZSA-N 368.433 1.771 0 40 FDAB CS(=O)(=O)CC(=O)N1Cc2cncn2[C@@H](COCC2CCCC2)C1 247536404 QSTLMADXDGPLAB-OAHLLOKOSA-N 355.460 1.018 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 253590282 FFPUNPBUZDTHJI-QYRYCIFISA-N 368.514 1.445 0 40 FDAB CC(=O)N1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 257288436 PUEDWWLIYQPXMJ-CQSZACIVSA-N 360.414 1.708 0 40 FDAB CC(C)n1nccc1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257229159 FWXHNBMHCKAJME-LLVKDONJSA-N 351.432 1.220 0 40 FDAB Cc1nc(CNC(=O)c2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)cc2)no1 257232883 GMVGSTDIFTZTDR-QRTARXTBSA-N 371.397 1.415 0 40 FDAB O=C(O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCN(c3ccc(F)cc3)C1=O)CC2 262443775 OFILNXDMJORTSE-GJZGRUSLSA-N 360.385 1.892 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccccc2F)CC1 670416179 VXTZZYWSCBDTTM-CYBMUJFWSA-N 371.416 1.937 0 40 FDAB COc1ccc2c(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)ncnc2c1F 599115048 QPPRYQOPLBVGSI-TZMCWYRMSA-N 359.361 1.140 0 40 FDAB CCN1C(=O)C[C@H](C(=O)Nc2ccnc(OC)c2)[C@H]1c1cnn(C)c1C 615006126 ODEGQTKVYXEAHB-GUYCJALGSA-N 357.414 1.680 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)NCCOc2ccccc2)cn1 630657150 UKMKSBCEWQBWQX-HOTGVXAUSA-N 358.398 1.037 0 40 FDAB O=C(c1cc2ccccc2s1)N1CCC(N2C(=O)COCC2=O)CC1 575606904 GXFMOHAFVGYXAJ-UHFFFAOYSA-N 358.419 1.891 0 40 FDAB OCc1ccc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)cc1 585097321 KBJVDZWWQMGLIJ-IBGZPJMESA-N 356.470 1.482 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@@H]21 585109268 FOPQSSVWQRJQJE-IXDOHACOSA-N 358.369 1.965 0 40 FDAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cc(F)ccc1F 585282419 JUQWTIVAVRNNAC-HKUYNNGSSA-N 371.424 1.837 0 40 FDAB COCCCNC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 67459041 JWMHDZJAMLQVDC-UHFFFAOYSA-N 367.877 1.641 0 40 FDAB CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1I 91252897 GHNKUONXLDQQHZ-UHFFFAOYSA-N 369.106 1.161 0 40 FDAB Cc1nc2ccnn2cc1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 581470050 JAUMWNLXGXBFRO-CABCVRRESA-N 355.442 1.949 0 40 FDAB Cc1ccc2c(c1)C(=O)N[C@@]1(CC[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]31)N2 12086332 JKSMTOMFLYJSKL-XBHMSOGKSA-N 365.437 1.762 0 40 FDAB C[C@H]1CCc2c(sc3ncn(C4CCN(CC(N)=O)CC4)c(=O)c23)C1 12145470 AWCCVHZDXFTGPL-NSHDSACASA-N 360.483 1.705 0 40 FDAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@H]3CCOC3)cc2)n1 12337761 IHACGCGLGQGWEJ-INIZCTEOSA-N 368.437 1.807 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCc2ccccc21 14134680 CODKQZDPXJAJAT-UHFFFAOYSA-N 361.401 1.648 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1 15733658 YBQMQXCVFSYWPD-UHFFFAOYSA-N 373.434 1.655 0 40 FDAB NC(=O)C[C@]1(O)CCCN(CCC(=O)NCc2ccccc2Cl)C1 643805151 DQRNWBXVHGXWES-QGZVFWFLSA-N 353.850 1.049 0 40 FDAB O=C(O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)CCC2CCC2)CC1 650417309 XZJTXKNPLDRLEQ-QGZVFWFLSA-N 366.483 1.950 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1 253406903 VFXNHWCZBBTDHG-ZDUSSCGKSA-N 356.473 1.082 0 40 FDAB O=C(CN1CCS(=O)(=O)C[C@@H]1C1CC1)Nc1cc(Cl)ccc1F 585140297 HDZULKZABYHGQA-CQSZACIVSA-N 360.838 1.927 0 40 FDAB Cc1ccc2[nH]c(C)c(CC(=O)OCC(=O)N3CCC(C(N)=O)CC3)c2c1 31350347 ZSSBXGZKXSJVCI-UHFFFAOYSA-N 371.437 1.594 0 40 FDAB O=C(c1cccc(O)n1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840828 SMOIKZNZFPLUAK-LJQANCHMSA-N 371.368 1.574 0 40 FDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cnn3ccccc13)CC2 1565554815 GDVKBTNZQDIJQK-UHFFFAOYSA-N 369.450 1.734 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)c1ccc(CC)nc1)OC2 1565547096 KLFDRBUTMJWDKU-CQSZACIVSA-N 371.441 1.378 0 40 FDAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)N(C)C)CC1 2055759439 ZOLWGYVXJGJGBE-UHFFFAOYSA-N 368.503 1.264 0 40 FDAB O=C(Cc1ccccc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782248 TXQPFPQANSPEKG-UHFFFAOYSA-N 366.465 1.970 0 40 FDAB CCc1ncnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1F 2086884644 AZYVRAVOTFOWPI-LBPRGKRZSA-N 358.364 1.641 0 40 FDAB O=C([C@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCC(F)(F)CC1 2086884738 QYMCTCBUMCELCY-LLVKDONJSA-N 358.414 1.878 0 40 FDAB Cn1nc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)ccc1=O 49509742 RCSWXMCPECJURN-UHFFFAOYSA-N 364.361 1.829 0 40 FDAB COc1ccccc1OCC(=O)NCCn1ccnc1-c1cnccn1 575607564 CXCFSZAWDJEPOZ-UHFFFAOYSA-N 353.382 1.544 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1 5753994 HSOBTWOPHQMFCH-UHFFFAOYSA-N 352.343 1.269 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2)CC1 102048808 DRFPPVZEUTZOOE-ILRDRHFLSA-N 365.433 1.142 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 40039698 JIDLIDXTXUTCJO-OAHLLOKOSA-N 351.362 1.729 0 40 FDAB COCCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn(C)c2C)c1 40061112 QPHMQFYCMYGXSO-UHFFFAOYSA-N 366.443 1.214 0 40 FDAB O=C1c2ccccc2C(=O)N1c1nonc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 100209440 UZNZQPZHXRJMAL-RYUDHWBXSA-N 366.333 1.550 0 40 FDAB COc1cc(Br)cc([C@@H]2CC(=O)Nc3ncnn32)c1OC 6229825 ZBVXUJMZEXZXDP-VIFPVBQESA-N 353.176 1.989 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1cccnc1Cl 7982125 QIJZHAPBTNEVPX-UHFFFAOYSA-N 355.803 1.839 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1 21182211 DPKQHIUXXIFDFM-UHFFFAOYSA-N 359.451 1.791 0 40 FDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(OC)c2O)cc1 21278934 NIUJZJPSZMOECO-UHFFFAOYSA-N 374.349 1.915 0 40 FDAB COC(=O)[C@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@@H](C4)C3=CC=C2OC 100393586 ROOZZSFGECGYSX-WVFSVQOHSA-N 369.417 1.968 0 40 FDAB biogenic,in-vitro CN(C)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 2630432 FDDQQFUMIOHYRU-AWEZNQCLSA-N 354.204 1.304 0 40 FDAB CN(C)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298304 AESUIWORDHIPMF-IPELMVKDSA-N 368.485 1.689 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3ccccc3F)CC2)C1 108533376 KTTBLGRGNGHWKA-CYBMUJFWSA-N 370.446 1.529 0 40 FDAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)NCCN4CCCC4=O)[C@@H]32)Oc2ccccc21 100124633 WWMFRIHLOWXDTR-HUMBJQDLSA-N 368.433 1.785 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CCn2ncc(=O)c3ccccc32)C1 53024994 DCRGIINCDBHIBE-GASCZTMLSA-N 371.437 1.834 0 40 FDAB O[C@H]1[C@H](NCc2ccc3c(c2)OCO3)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 20463723 KVDLRGWPAOFDKG-OUUBHVDSSA-N 371.389 1.437 0 40 FDAB biogenic,in-vitro Cc1ccccc1C(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc3c(c2)OCO3)s1 105630844 ZZNLIJUVZJHCSW-JZAWIKSFSA-N 365.410 1.966 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)NC(N)=O)c1ccccc1 24808960 JHQAWSUMMCCKGT-INIZCTEOSA-N 365.393 1.291 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 24854843 CNJQDQIHCNBIEU-SUMWQHHRSA-N 365.430 1.677 0 40 FDAB CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2COCCO2)cc1Cl 25123952 MRRYSJIJYPIYRT-HNNXBMFYSA-N 370.833 1.941 0 40 FDAB NNC(=O)[C@@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 1657283 ACXXOPXBWJSGGQ-GEKJRJMOSA-N 354.454 1.464 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)s1 26058061 UFCIHUQJPRDFNO-UHFFFAOYSA-N 359.860 1.977 0 40 FDAB Cc1[nH]c2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2c1C 35325128 UIKRSEOSBFSHNB-UHFFFAOYSA-N 354.454 1.821 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c1 10134574 GYJFAFBVWWVSAF-KRWDZBQOSA-N 358.369 1.942 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)NCc2cccnc2)c1C 58222827 VDMQVLYGIFNKNH-UHFFFAOYSA-N 358.398 1.249 0 40 FDAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCN(C)C)CC(=O)N21 2104955 IMJPNEHJWQRZOV-DYVFJYSZSA-N 354.454 1.776 0 40 FDAB biogenic O=C(CSc1ccccn1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 8487086 OVOQVMDRHCZUOZ-ZDUSSCGKSA-N 366.464 1.983 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccccc1 3381040 YBJUPKPRWRMKDX-LBPRGKRZSA-N 372.402 1.540 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 3347050 TXRYGDCHZVMZKT-CZUORRHYSA-N 352.456 1.574 0 40 FDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 3362649 DBYBVONEFXLQGX-KRWDZBQOSA-N 360.345 1.918 0 40 FDAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)c1 67288818 WYCAXDMVBYUUCF-KRWDZBQOSA-N 357.410 1.705 0 40 FDAB CCOC(=O)c1cn([C@@H]2C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)nn1 38534502 OBFAHFOFBSEPOF-ZYHUDNBSSA-N 368.390 1.178 0 40 FDAB Cc1nc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n(CC(C)C)c1C 5152025 NWACQTGNGZABBB-CYBMUJFWSA-N 359.517 1.551 0 40 FDAB O=C(O)Cc1csc(NC(=O)COc2ccc3ccc(=O)oc3c2)n1 8765455 LQTFRBKGDVBSMI-UHFFFAOYSA-N 360.347 1.894 0 40 FDAB biogenic CN(C)S(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccco2)c1 5569575 ANHMDHKCVHBAES-UHFFFAOYSA-N 353.425 1.657 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(-n2cnnn2)c1 8849142 ZCIHGSFIXAGREY-UHFFFAOYSA-N 361.365 1.470 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NC3CCCC3)C2)n(C)n1 306125207 CJHHDPCXNCWHFG-MRXNPFEDSA-N 356.474 1.620 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c1 7981716 QARMCHXIJUOKJG-UHFFFAOYSA-N 374.418 1.980 0 40 FDAB CC(C)n1nnc(-c2ccc(O)c(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71284131 BGGPIQKQMDVPMW-STQMWFEESA-N 359.386 1.922 0 40 FDAB C[C@H](C(=O)c1c[nH]c2ccccc12)n1cnc2c1c(=O)n(C)c(=O)n2C 8011920 QYHZQGMYSNSLJU-SNVBAGLBSA-N 351.366 1.359 0 40 FDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2nc3ccccc3s2)C1=O 16699013 ZYPXMVAIOWKYFH-JTQLQIEISA-N 353.425 1.151 0 40 FDAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 16639530 GQKZKKHXLVHKTI-UHFFFAOYSA-N 374.422 1.797 0 40 FDAB O=C(NCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccco1 9377390 VYTFSTNCTZMNKD-UHFFFAOYSA-N 368.393 1.516 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccc(Cl)cc1 9421509 NAYZCOZFJQDTSE-UHFFFAOYSA-N 372.816 1.750 0 40 FDAB Cc1ccc([C@@H](CNC(=O)N2CCOC[C@H]2C2CC2)N2CCOCC2)o1 89888715 MCZKNTSOTDQXRG-SJORKVTESA-N 363.458 1.782 0 40 FDAB NC(=O)c1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 78079206 LDKXHVQPPBAXOM-SFHVURJKSA-N 353.422 1.303 0 40 FDAB COc1ccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 113962081 NNHTWGHDYFVFBQ-UHFFFAOYSA-N 369.487 1.015 0 40 FDAB Cc1cccn2c(=O)cc(CN3CCC(CN4CCOCC4)CC3)nc12 69030450 GUKFGAZTETZWKS-UHFFFAOYSA-N 356.470 1.547 0 40 FDAB CN1C[C@]2(CCN(Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O 306137820 RHICGHOMQZGAFK-SFHVURJKSA-N 359.451 1.739 0 40 FDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408605575 NAUQIWNTLJWIAY-CQSZACIVSA-N 354.472 1.934 0 40 FDAB COc1cccc([C@@H]2C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N2)c1 72335000 QLGKXNRHIVGRDN-UONOGXRCSA-N 355.460 1.190 0 40 FDAB COC[C@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327570 OUNXNQBBJZOYNT-XOBRGWDASA-N 374.437 1.554 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218317697 PHJWLSWHUNZAKR-OLZOCXBDSA-N 374.842 1.963 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCOCC3)c[nH]c2c1 31812320 KKDYBTCIUVTICI-REMYHPOOSA-N 373.365 1.205 0 40 FDAB O=C(COC[C@@H]1CCOC1)N1CCN(c2cncc3ccccc23)CC1 188763368 AVBSOXYRSDXOHY-MRXNPFEDSA-N 355.438 1.937 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCCN2S(C)(=O)=O)cc1C(F)(F)F 72356029 BZRZZKDZRQCPGQ-ZDUSSCGKSA-N 365.377 1.833 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1C(=O)O 71195268 GZKLOPRITHGINH-CQSZACIVSA-N 370.365 1.762 0 40 FDAB C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 71614562 CCMCYVCBDITGSI-BNOWGMLFSA-N 366.414 1.073 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1 224375778 YCXLPBCZJICICV-UHFFFAOYSA-N 358.445 1.637 0 40 FDAB Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)o1 49522136 WYUSWRXTIGPJKC-HNNXBMFYSA-N 371.393 1.503 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223707832 GMXJGRNOTNXNNZ-UHFFFAOYSA-N 355.437 1.577 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229853027 XBJPWUIUZSUXFV-CZAMWMTLSA-N 363.753 1.234 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 224161237 YQLQKYPDJGEJQZ-OPRDCNLKSA-N 358.489 1.990 0 40 FDAB C[C@@H](CCc1ccco1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 48276029 NCILBXIGSUOVNN-ZDUSSCGKSA-N 350.440 1.997 0 40 FDAB CSCC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 75157526 FGYXHQWUQYIHMY-HNNXBMFYSA-N 360.501 1.171 0 40 FDAB Cc1noc(C)c1CN1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225793 MZTPKBGUADUKSH-LJQANCHMSA-N 369.425 1.724 0 40 FDAB O=C1NC(=O)[C@@H]2[C@@H]1Sc1[nH]c(=O)sc1[C@H]2c1c[nH]c2ccccc12 245227899 YCDBVPWWHITLPH-DCAQKATOSA-N 357.416 1.797 0 40 FDAB CN(C)C(=O)CO[C@@H]1CN(CCOCc2ccccc2)Cc2cccn2C1 248056849 YKPJUQVZJJNBLE-HXUWFJFHSA-N 371.481 1.994 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 253573465 RLHXLAPRBKCXQI-NHYWBVRUSA-N 366.364 1.872 0 40 FDAB Cc1nnc(C)n1N1CN(C[C@H]2CCCO2)c2nc3ccccc3n2C1 250842778 WWSZGNWBPPCFRI-OAHLLOKOSA-N 353.430 1.797 0 40 FDAB NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)c(F)c1 540271471 ITSCWOGPRQFRLE-CQSZACIVSA-N 355.369 1.537 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3cccc(F)c3)C2)ncn1 257312963 UQLFPBMQAARKCU-IBGZPJMESA-N 358.417 1.566 0 40 FDAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 585081904 XEHYLLPJIVEKOJ-MRXNPFEDSA-N 370.453 1.687 0 40 FDAB Cc1ncc(CNC(=O)CCc2cnn(C)c2C)c([C@H]2CCCN2C)n1 257232722 GMCBQMVMJLMHSZ-QGZVFWFLSA-N 356.474 1.843 0 40 FDAB Cc1cc(NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cc(C(N)=O)c1 263039391 CEZKPXUGOPFMRR-GHMZBOCLSA-N 359.304 1.821 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 545555965 OPYVFAMINYIPNJ-GFCCVEGCSA-N 354.428 1.394 0 40 FDAB CNc1cc(N2CCC[C@H]2CNc2ccc(C(=O)NC3CC3)cn2)ncn1 608082501 HYDXVEBZDSTXAU-HNNXBMFYSA-N 367.457 1.886 0 40 FDAB CC[C@@H]1OC2(CCN(C(=O)c3cccc(-n4ccnc4)c3)CC2)NC1=O 1615589067 GCZZHUZVQZGKTG-INIZCTEOSA-N 354.410 1.730 0 40 FDAB Cn1cc([C@@H]2[C@@H](CNc3ccc(C(=O)O)nn3)CC(=O)N2C(C)(C)C)cn1 656781916 CVBPZZIWCVQPKK-BZNIZROVSA-N 372.429 1.709 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(N(C)C(C)C)c1 666041103 GLLZXMCWTDPBMF-CABCVRRESA-N 355.460 1.465 0 40 FDAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCCc2ccccc2)C1 585284994 MWECILYXLIDALH-RBBKRZOGSA-N 368.477 1.847 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cn(C)cn1 585096627 WJRMNYRXEAHOKW-LBPRGKRZSA-N 368.397 1.357 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@@H](CN1CCOCC1)C2 585105154 ZRDADYDACFAUFG-LJQANCHMSA-N 373.497 1.744 0 40 FDAB O=C(NCCn1cc(Br)cn1)N[C@@H]1CCN(C2CCC2)C1=O 685939060 BXMGIFOUYOZKJS-GFCCVEGCSA-N 370.251 1.098 0 40 FDAB Cc1cc(C(=O)N(C)[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n(C)n1 1615611960 RNWSKNPEHLYCRF-INIZCTEOSA-N 372.473 1.158 0 40 FDAB COc1ccccc1CCNC(=O)C[C@H]1CSc2nc(C)cc(=O)n21 11025856 VEMJFSHHTWWZPL-AWEZNQCLSA-N 359.451 1.956 0 40 FDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12147720 AGOHCVVFEUTYOT-SNVBAGLBSA-N 350.400 1.557 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)NCCc3c(C)noc3C)ccc21 12239343 NLUNJAWTNVCKQK-UHFFFAOYSA-N 365.411 1.740 0 40 FDAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N3CCOCC3)n2)c1 12329874 PAIBYHLFORCLRK-JKSUJKDBSA-N 356.426 1.498 0 40 FDAB COc1cccc(-n2nnc(C(=O)NC[C@@H](C)N3CCOCC3)c2C)c1 19557745 HCASHFSEVUCDPD-CYBMUJFWSA-N 359.430 1.035 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2C 19707026 GNFKWWNVBFNZCY-CQSZACIVSA-N 354.458 1.921 0 40 FDAB COc1ccccc1CCC(=O)N1CC[C@@]2(NC(C)=O)CN(C)C[C@H]2C1 19713088 ZHKUHZYTMDJCEZ-FXAWDEMLSA-N 359.470 1.297 0 40 FDAB CCn1c([C@@H]2CCCN2C(=O)[C@H](C)NS(C)(=O)=O)nc2ccccc21 101680157 YHHGXBLLRBJHTB-WFASDCNBSA-N 364.471 1.657 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnc3ccc(Cl)cn23)C1 643754862 HLCAORHAZWUOHV-KRWDZBQOSA-N 350.850 1.793 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)COc1ccc(F)c(Cl)c1 643952151 SCDDSPOEEWLJNS-INIZCTEOSA-N 358.797 1.612 0 40 FDAB COCCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O 14911898 WOZBDXLAUSJLPR-UHFFFAOYSA-N 352.390 1.958 0 40 FDAB NC(=O)C1CCN(C2CN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 390829035 WCQPBTFEQUNTAC-UHFFFAOYSA-N 369.387 1.656 0 40 FDAB COc1nn(C)cc1C(=O)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888844153 QTACGAGCZYYIRI-UHFFFAOYSA-N 355.320 1.461 0 40 FDAB Cc1noc(CN2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888870185 QKBGJCQMCRYLDZ-HZPDHXFCSA-N 362.455 1.272 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]3C2)nc2ccccc21 1888909718 PYYPIHUKGQRPRV-HUUCEWRRSA-N 364.453 1.998 0 40 FDAB Cc1cc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n2ncnc2n1 1889138775 QKTIYWXNXZSHKO-UHFFFAOYSA-N 358.837 1.981 0 40 FDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(COc2ccccc2F)on1 2037885124 CQIFYEQMMGPGKT-FRFSOERESA-N 364.373 1.787 0 40 FDAB Cn1ccc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037985014 UWKCTIRCOCODDM-IBGZPJMESA-N 354.410 1.316 0 40 FDAB CSc1nc(C)cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087140431 XLUHFKQPCSMQIJ-UHFFFAOYSA-N 356.517 1.900 0 40 FDAB COc1cc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)on1 2055782233 RIVHXGORVNDFEY-UHFFFAOYSA-N 373.413 1.037 0 40 FDAB O=C(CCN1CCN(CCO)CC1)Nc1ccc(OC(F)(F)F)cc1 20507163 XOJHZXXPEVBYRJ-UHFFFAOYSA-N 361.364 1.524 0 40 FDAB O=S(=O)(NC1CCN(CCc2ccc3c(c2)CCO3)CC1)C1CC1 2086861372 IUHIISGVYTXJHE-UHFFFAOYSA-N 350.484 1.710 0 40 FDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)c1ccccc1 12232482 NWMHRYJOSPNRDG-CYBMUJFWSA-N 357.414 1.003 0 40 FDAB Cc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 16020936 NTQMPZXGYNPKCJ-BEFAXECRSA-N 351.450 1.830 0 40 FDAB Cn1ccnc1[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 25159525 JMNWRLVFGFZYKK-CQSZACIVSA-N 367.434 1.602 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1CN1CCCC1=O 40153814 PKBDRDMYQMDZAI-CQSZACIVSA-N 369.421 1.837 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100570990 YUERGOBAXHUBMQ-MZDBXJLNSA-N 366.417 1.907 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2-n2cnnn2)c1 20427198 MZNGVXCZPHUZCZ-UHFFFAOYSA-N 373.394 1.414 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 31812938 XHESBJSAOQFQNW-NSHDSACASA-N 364.402 1.811 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 36636321 CLADAZDVHWPBON-CYBMUJFWSA-N 365.407 1.757 0 40 FDAB CC(=O)Oc1cc(S(=O)(=O)Nc2nc(N)n[nH]2)c(S)cc1Cl 1642336 UOBAWPMUUPBNQQ-UHFFFAOYSA-N 363.808 1.055 0 40 FDAB COc1cccc2sc(N3CCN(C(=O)C4=COCCO4)CC3)nc12 4583486 PVYSXOKWUPNLLJ-UHFFFAOYSA-N 361.423 1.842 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102088235 GUSQRVIGTKPWEJ-WRFANHODSA-N 368.389 1.609 0 40 FDAB COc1ccc(OCCOC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102128787 QCKSUUJLSKZJHU-CALCHBBNSA-N 373.405 1.959 0 40 FDAB CC(C)COC[C@H](O)CNC(=O)NC1CCN(Cc2ccccc2)CC1 32927889 MCNCZGQJDMRZFG-LJQANCHMSA-N 363.502 1.984 0 40 FDAB COc1ccc(OCCCC(=O)OCC(=O)NC(=O)c2cccn2C)cc1 9365232 AOSRWTFWZMMEGD-UHFFFAOYSA-N 374.393 1.693 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(c2nc3ccccc3o2)CC1 11905136 YFGABWMUWXWABP-UHFFFAOYSA-N 368.393 1.474 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccco1 23187137 SIFWYELGXHFAQO-HNNXBMFYSA-N 358.373 1.548 0 40 FDAB COc1ccc(-c2nn(CN3CCN(C(C)=O)CC3)c(=S)n2C)cc1 23995248 VGKKRURDDDGVMW-UHFFFAOYSA-N 361.471 1.748 0 40 FDAB COc1ncc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccncc2)c(OC)n1 100143422 YUISEHULPVXKQJ-GJZGRUSLSA-N 356.426 1.903 0 40 FDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc2cc(C)ccn12 176314993 QWSSJEZSHWSCLW-ZDUSSCGKSA-N 365.459 1.571 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3cnn(C)c3C)CC2=O)cc1 25004189 GDLMHXMPEQBWBD-GXTWGEPZSA-N 356.426 1.967 0 40 FDAB O=C1NCCCC[C@H]1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 35269203 XDXGLRDESQEWNU-NQUDRAQSSA-N 363.483 1.273 0 40 FDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 27819052 UBUGRHXHFFDGBZ-JTQLQIEISA-N 353.469 1.865 0 40 FDAB O=C(NCc1ccccc1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69775754 AYRULHHVXACNDY-UHFFFAOYSA-N 355.379 1.312 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)O[C@H](C)C(=O)NC1CCCC1 17891151 GBLGBCUYXJLHNB-GFCCVEGCSA-N 374.445 1.246 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2cccc(OC)c2)c1 26836701 HRLKDKHOQDZFCQ-UHFFFAOYSA-N 365.407 1.839 0 40 FDAB C[C@H](C(=O)NCc1cn2cc(Br)ccc2n1)S(C)(=O)=O 58291377 HVGHVXPHFMGHGK-MRVPVSSYSA-N 360.233 1.146 0 40 FDAB CC(C)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 3242588 ACFUQMBMUALILP-UHFFFAOYSA-N 354.472 1.967 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3356098 LQIUBPLUWYIKEJ-UHFFFAOYSA-N 373.409 1.676 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 48280147 DFWLTILQDXDRBA-UHFFFAOYSA-N 368.817 1.480 0 40 FDAB COc1ccccc1N1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)N=C1O 13623679 HVXYAWZUMMUSIK-AWEZNQCLSA-N 357.288 1.741 0 40 FDAB CCCCn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 4249252 YWNHGCAIWMGYMS-UHFFFAOYSA-N 357.414 1.700 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387390 DAVNREGNPPKABN-MISXGVKJSA-N 362.304 1.479 0 40 FDAB Cc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)o1 4351737 SHFHGSPSSHJJFC-GDNBJRDFSA-N 351.387 1.551 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 6370964 KQNPHWKDTDWRMU-OAHLLOKOSA-N 352.350 1.917 0 40 FDAB CCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 4485905 XFGAENRIBIKASE-LBPRGKRZSA-N 367.496 1.999 0 40 FDAB COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1OCC(N)=O 14069671 JYUOSPVNSMYBFE-LLVKDONJSA-N 360.332 1.974 0 40 FDAB Cc1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)s1 6600030 GOTGVHNYDNSPAD-NSHDSACASA-N 363.530 1.610 0 40 FDAB CN(C(=O)COC(=O)c1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 4836649 FRHOFNBTCJRKNY-AWEZNQCLSA-N 361.419 1.642 0 40 FDAB Cc1cncc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 80034357 CIYVJTPFHNYYSY-UHFFFAOYSA-N 353.426 1.417 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)cc1 7678335 HNYMQUFXFLSMTQ-UHFFFAOYSA-N 373.390 1.238 0 40 FDAB CN1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 19831977 CZBUWGKJGNNNQB-QGZVFWFLSA-N 373.840 1.700 0 40 FDAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 9503349 RUCXSSQHNBICLA-QGZVFWFLSA-N 351.406 1.808 0 40 FDAB COc1ccc(OC)c(NC(=O)COc2c(CO)cc(F)cc2CO)c1 9691782 HLUIBIYTQLGABY-UHFFFAOYSA-N 365.357 1.845 0 40 FDAB O=C(c1cccc(N2CCNC2=O)c1)N1CCN(Cc2ccco2)CC1 95351099 WPCLTFMJFFENOP-UHFFFAOYSA-N 354.410 1.767 0 40 FDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1CN1CCNC1=O 95466932 QOTRAVSVSRJIIQ-QWHCGFSZSA-N 361.446 1.637 0 40 FDAB COc1cc(Br)c(CNC[C@H]2CC[C@@H](C(N)=O)O2)cc1OC 95414164 WRVBYVLLUBDEOY-PWSUYJOCSA-N 373.247 1.589 0 40 FDAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)ccn(C)c1=O 75108495 WOVUUZWBEHTGTO-UHFFFAOYSA-N 350.396 1.755 0 40 FDAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 306140415 UTEGGJOWPWBEPN-UHFFFAOYSA-N 366.469 1.794 0 40 FDAB Cc1nnc2n(c1=O)N[C@](O)(Nc1c(Cl)cccc1Cl)CS2 35682745 GIOARXYQSJTGIR-GFCCVEGCSA-N 360.226 1.661 0 40 FDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306126616 FAHXPXNLYWXUBH-CYBMUJFWSA-N 353.386 1.040 0 40 FDAB COC(=O)CCN(C(=O)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641487 XVXHPLFPKKXETI-OAHLLOKOSA-N 353.440 1.198 0 40 FDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 32929501 QHIVKKMYZRXMHD-NSHDSACASA-N 352.378 1.704 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2ccc(F)cc2)c1=O 38926416 TXUXINORSPJVIR-UHFFFAOYSA-N 355.373 1.142 0 40 FDAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 37021597 VLGYNHXJZUCFBP-ZBFHGGJFSA-N 356.488 1.999 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)Nc1nccs1 36360944 PTXPXKQBWMNYDZ-UHFFFAOYSA-N 374.357 1.267 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@@]2(O)CCCc3occc32)cn1C 1565522315 FWSJMHMCSIRJQV-INIZCTEOSA-N 353.444 1.639 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 72345842 DTJCROWYZLJLGB-KRWDZBQOSA-N 362.455 1.375 0 40 FDAB CCOc1ccccc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 40025555 OPHAHGIYEOZPMC-CMDGGOBGSA-N 352.456 1.639 0 40 FDAB Cc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 224165372 KDBMBGIQXAEPMP-UHFFFAOYSA-N 354.457 1.920 0 40 FDAB CN1Cc2ccccc2CC2(CCN(C(=O)N3CCOCC3)CC2)C1=O 96161323 GZTIWYRFHBAPDZ-UHFFFAOYSA-N 357.454 1.736 0 40 FDAB CO[C@@]1(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CCSC1 96120706 QFCUTJRDUCDNIE-MAZHCROVSA-N 361.529 1.823 0 40 FDAB O=C(NCCc1cccs1)[C@]12COC[C@H]1CN(C1CCOCC1)C2 96110092 SOHVQDHRJJOKLU-RDTXWAMCSA-N 350.484 1.534 0 40 FDAB CC(C)CS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253455 XNSNCOVLZUNOHF-IXDOHACOSA-N 366.483 1.378 0 40 FDAB Cc1nc(COC[C@H]2CCOC23CN(C(=O)c2ccnn2C)C3)cs1 248003229 BFYSUUPXKVBQJY-CYBMUJFWSA-N 362.455 1.633 0 40 FDAB COc1cc(N2CC3(C2)OCC[C@H]3CCNC(=O)c2ccncc2)ncn1 247872472 DYLWRNUUTVBDSO-OAHLLOKOSA-N 369.425 1.296 0 40 FDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(Cc2ccccn2)C3)n1 253476747 BDVHJXOLYDKODS-OAHLLOKOSA-N 374.466 1.248 0 40 FDAB Cc1cc(-c2cc[nH]n2)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257319201 VRGKWIBUDCCRPC-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB CNc1cc(C)nc([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)c1 257220798 DMENFAVXMGIVGB-QGZVFWFLSA-N 356.426 1.584 0 40 FDAB O=C(CN1CCCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257329452 XKBKQTPFGRZQGV-MJGOQNOKSA-N 371.481 1.313 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3ncc[nH]3)CC2)C[C@@H](O)C1(C)C 257268283 MKZWRMGWLYVMKX-CQSZACIVSA-N 350.463 1.010 0 40 FDAB Nc1cc(CC[C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)ccn1 257272244 NBPIUIFCAGSJGL-OAHLLOKOSA-N 353.488 1.960 0 40 FDAB COCC(=O)N1CCC(c2cncc(N3C(=O)OC[C@@H]3C(C)C)n2)CC1 257215384 CPWXVIZPQANMPX-OAHLLOKOSA-N 362.430 1.810 0 40 FDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1 373468681 YSCJKJYPJZPBMT-MNOVXSKESA-N 357.398 1.570 0 40 FDAB NC(=O)c1cc(NC(=O)N2CCN(Cc3ccccn3)CC2)ccc1F 681208137 WZHYBAGMAVOODP-UHFFFAOYSA-N 357.389 1.669 0 40 FDAB CN(C(C)(C)CN1CCOCC1)S(=O)(=O)c1c[nH]c2ncccc12 566785990 SRLRSBSGUOKZHD-UHFFFAOYSA-N 352.460 1.294 0 40 FDAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccccc3)[C@H]2C1 575405907 VNWHODZSVKXFTB-ARFHVFGLSA-N 352.456 1.103 0 40 FDAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2cccc3ncccc23)CCO1 585276672 CGXWZWBIDZIEGZ-IBGZPJMESA-N 357.410 1.229 0 40 FDAB Cc1noc(CC(=O)N2CCN3C[C@@H](OCc4ccccc4F)C[C@H]3C2)n1 585108056 ZBNFXXBJEZQPSD-HOTGVXAUSA-N 374.416 1.562 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)on1 40132019 NQSPUWWWVSZAEC-UHFFFAOYSA-N 353.382 1.991 0 40 FDAB Cn1nccc1[C@@H]1CN(CCCc2cccnc2)C[C@H]1NC(=O)C1CC1 1615547118 JSQGQUFISZRUKH-QZTJIDSGSA-N 353.470 1.742 0 40 FDAB CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 5433892 FPSHGHOGTFYOBT-DDHJSBNISA-N 362.474 1.883 0 40 FDAB biogenic,in-vitro O=C(c1ccc(F)cc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19404012 JKHGAQIFRJOLFP-CYBMUJFWSA-N 355.329 1.879 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)C1 19496502 GAHSAUULUXXIID-IAGOWNOFSA-N 371.529 1.902 0 40 FDAB COc1cccc(C(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)c1 19564819 OLNTUSIMBXDMTN-OAHLLOKOSA-N 365.437 1.947 0 40 FDAB O=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)s3)C2)nn1 225630382 VTVDBVNWPPCYLT-UHFFFAOYSA-N 365.846 1.813 0 40 FDAB Nc1cc(C(=O)OCC(=O)NCCCN2CCCC2=O)ccc1Cl 3286574 LAHLIMVMEBMSDB-UHFFFAOYSA-N 353.806 1.208 0 40 FDAB CN(C(=O)COC(=O)c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 4332334 AWPJOFHOZBPHEN-GFCCVEGCSA-N 351.380 1.235 0 40 FDAB CSc1ccc(CN(C)[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 37477364 YQLOGBCPLWTVLG-JSGCOSHPSA-N 356.513 1.532 0 40 FDAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(Nc4ncccn4)C3)cc2)co1 238856973 KAYQSYMZWRHUED-UHFFFAOYSA-N 371.422 1.925 0 40 FDAB CCOC(=O)CCNC(=O)NCc1nnc2ccc(-c3cccs3)nn12 238971573 ZLRRBIIPSSBRIK-UHFFFAOYSA-N 374.426 1.605 0 40 FDAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)cn1 1565549135 MEUFWZGOUYCGDJ-MOPGFXCFSA-N 352.438 1.764 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 15081205 WWEOPSIWOFOHFC-QIIPPGSGSA-N 362.382 1.448 0 40 FDAB Cc1c(CN[C@@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)cnn1C 2055772153 BVTVTYJFYWPCDW-CQSZACIVSA-N 369.425 1.887 0 40 FDAB COCCn1c(C(=O)NCCCn2ccnc2)nc2ccccc2c1=O 31807708 NNWPCCYIIDGHPO-UHFFFAOYSA-N 355.398 1.060 0 40 FDAB Cc1ccn(CCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n1 36619534 DHDKJKUHJYAMQX-UHFFFAOYSA-N 365.397 1.867 0 40 FDAB Cc1cnc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cn1 11481032 BXCQEMXYOYCTRG-UHFFFAOYSA-N 360.345 1.178 0 40 FDAB CN(Cc1ccsc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 8155515 RNSRYSYGAXLNSY-UHFFFAOYSA-N 350.421 1.551 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101002218 OUSSJXBSQFYHGD-MWLCHTKSSA-N 350.718 1.114 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 101018466 XHCAJMOHXPDZHW-MWLCHTKSSA-N 350.718 1.114 0 40 FDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 1621086 JOIOULVSIQLUNS-UHFFFAOYSA-N 355.441 1.368 0 40 FDAB CCn1cc(CN(C)C(=O)c2cc3ncc(Br)cn3n2)cn1 2791360 MDKSZAOGQCCQRD-UHFFFAOYSA-N 363.219 1.980 0 40 FDAB CC(C)(C)NC(=O)CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C(C)(C)C 4894175 WISIAUYUMJJHLD-UHFFFAOYSA-N 373.453 1.758 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CSc1nnc(C2CC2)n1C1CC1 7551089 YWKWUNVWQSGOQT-UHFFFAOYSA-N 365.503 1.956 0 40 FDAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 32833216 UKINWORJBDSBGB-UHFFFAOYSA-N 352.387 1.832 0 40 FDAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298071 WSBDNIAFXDFXGF-NXHRZFHOSA-N 361.490 1.190 0 40 FDAB biogenic,in-vitro O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCCCCC1 102592229 XSKVSEAJYNIOHS-HUUCEWRRSA-N 364.442 1.544 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NCCSC(F)(F)F)cc2N1 32935808 WKFNXCXHTKTHOD-UHFFFAOYSA-N 356.347 1.549 0 40 FDAB COCCNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 22357451 DKWGJDRLYQQNAB-SNVBAGLBSA-N 355.485 1.986 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ncn(Cc3c(F)cccc3Cl)n2)cn1 2804003 JGGMTNUZBSDRII-UHFFFAOYSA-N 370.797 1.653 0 40 FDAB O=C(CN1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1)N1CCCC1 23178922 XHSFZHAUPRCXKO-KRWDZBQOSA-N 359.495 1.470 0 40 FDAB CN1CCN(C(=O)CN2C(=O)S/C(=C\c3cccs3)C2=O)CC1 54360911 XIZOPQDDBGTKGA-XFXZXTDPSA-N 351.453 1.558 0 40 FDAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1c(C)nn(C)c1C 12532608 TUTLGKSLRHAIPM-SOFGYWHQSA-N 365.411 1.944 0 40 FDAB COc1ccc(CNC(=O)CN2C[C@H](C(N)=O)Oc3ccccc32)cc1 12597408 ITIJXWZFYCESMV-QGZVFWFLSA-N 355.394 1.064 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(C(C)C)CC2)c1 25136386 XJZIDTXSOALRTI-UHFFFAOYSA-N 367.515 1.883 0 40 FDAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2sccc2-n2cnnn2)CCC[C@H]1C 106860388 BPJVWQUSLTUVDH-WOPDTQHZSA-N 363.443 1.822 0 40 FDAB Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2ncnc2n1 35310952 NRJYUPHMXGEDES-UHFFFAOYSA-N 350.426 1.966 0 40 FDAB COC[C@@H](C)NC(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 60062273 WIZYZAIXVVYVQS-MRVPVSSYSA-N 357.457 1.732 0 40 FDAB CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)CC1 22926970 SWUOOCSEWWUPBO-CMKODMSKSA-N 371.529 1.766 0 40 FDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 25652473 AYBGNOZHZNOCTN-GFCCVEGCSA-N 365.407 1.822 0 40 FDAB O=c1oc(-c2cccs2)nn1C[C@@H](O)COc1ccc2c(c1)OCO2 58168485 OELQDLHIQQRLGX-SNVBAGLBSA-N 362.363 1.733 0 40 FDAB C[C@H](NC(=O)CCCn1cccn1)c1cccc(NS(C)(=O)=O)c1 58157568 QVLJMDFUSVDVAR-ZDUSSCGKSA-N 350.444 1.912 0 40 FDAB CCN(CC)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 36047939 RYOGUXLAWILFBS-INIZCTEOSA-N 370.471 1.629 0 40 FDAB COc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1OC 58278647 NIDWORDEADXAHW-OAHLLOKOSA-N 357.410 1.600 0 40 FDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 12791196 AYDSZPPJOJXGJY-CWTRNNRKSA-N 369.425 1.886 0 40 FDAB CC(=O)N[C@H]1CCCN(Cn2c(=O)oc3cc(Br)ccc32)C1 48279513 BBUYOAWUUVTWSE-LBPRGKRZSA-N 368.231 1.915 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 3903522 ZDBRIPNGYGPMKT-YIOZNXECSA-N 363.410 1.138 0 40 FDAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1OC 20121121 AJRGEJXQRBXVBX-KRWDZBQOSA-N 374.489 1.782 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@H](C)C(N)=O)cc1 6099102 MBWOOCNOKBXZOJ-TZMCWYRMSA-N 356.444 1.105 0 40 FDAB C[C@@H](OC(=O)c1ccccc1SCC(=O)NCc1ccco1)C(N)=O 5336511 UQGKTBWSHPQEQA-LLVKDONJSA-N 362.407 1.719 0 40 FDAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCc1cccs1 14141237 APQLWGJMQMNSFT-SECBINFHSA-N 352.489 1.519 0 40 FDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)cn1 306135473 ORZGMNYDINGWHQ-HNNXBMFYSA-N 368.428 1.563 0 40 FDAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O 408738970 XJQWVGHKLWCEKW-HNNXBMFYSA-N 361.398 1.662 0 40 FDAB O=C(/C=C/c1ccco1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633491 TXSUWUCOOQGGQT-VOTSOKGWSA-N 362.407 1.952 0 40 FDAB CN(C)C1(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCCCC1 8719470 ODAWFVNKHSQDJN-UHFFFAOYSA-N 364.490 1.622 0 40 FDAB Cc1ccc(NC(=O)CSc2ncccn2)cc1S(=O)(=O)N(C)C 7141327 BMSDVOXACHNVKD-UHFFFAOYSA-N 366.468 1.766 0 40 FDAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)NC(C)(C)C 7868886 HVBBHMJQOYDNQE-SNVBAGLBSA-N 374.434 1.536 0 40 FDAB COc1ccccc1/C=C1/SC(=O)N(CC(=O)NCCN(C)C)C1=O 9530959 VCPADPAWTFIKST-GXDHUFHOSA-N 363.439 1.409 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2)CC1 177753989 NCYSLCPSHPNODJ-RTBURBONSA-N 372.513 1.991 0 40 FDAB CCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)N1CCc2sccc2C1 95396357 OHQULPQGLDQFFN-JSGCOSHPSA-N 361.471 1.770 0 40 FDAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 95347290 HIGPSXZFHSASDQ-LBPRGKRZSA-N 352.387 1.574 0 40 FDAB CCN(CC)C(=O)CSc1nnc(SCc2nccs2)n1N 84770939 VMKLHBCMEQOTEL-UHFFFAOYSA-N 358.518 1.701 0 40 FDAB NC(=O)c1cccc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)n1 95461439 XNALMFHYZLIEBH-UHFFFAOYSA-N 372.812 1.620 0 40 FDAB C[C@H]1CN(CCCCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 75107647 GLABMPWIVVBHQN-IYBDPMFKSA-N 359.474 1.830 0 40 FDAB C[C@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 23248739 CYTSUJZLLFQIEJ-HZPDHXFCSA-N 364.534 1.499 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 218318797 HLRIKZJEWREQMT-CHWSQXEVSA-N 374.842 1.963 0 40 FDAB COc1ccc(C(N)=O)cc1NC(=O)c1c(-n2cnnn2)sc(C)c1C 524735474 DVHWPFCEHDFXMK-UHFFFAOYSA-N 372.410 1.700 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cn1 32958562 AFFQDPASYYCZFA-IBGZPJMESA-N 366.377 1.422 0 40 FDAB Cc1ncccc1CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 527941986 ABRNJXYVKWPYDB-INIZCTEOSA-N 374.466 1.652 0 40 FDAB O[C@H](COc1cccc(OC[C@H](O)CN2CCCC2)c1)CN1CCCC1 4819633 SQCSTOYDADLFGE-HDICACEKSA-N 364.486 1.358 0 40 FDAB CO[C@]1(C(=O)O)CCN(S(=O)(=O)c2cccc(Br)c2)C1 530152767 YTVAGCXLCGOIOC-GFCCVEGCSA-N 364.217 1.313 0 40 FDAB C[C@]1(c2ccc(C(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)cc2)NC(=O)NC1=O 533044608 MZRAVQOXRAFSOL-QEEYODRMSA-N 371.437 1.630 0 40 FDAB COc1ccc(OCCN(C)C(=O)[C@@H]2CN(c3ncccn3)CCO2)cc1 72344556 LPMJXTAXGNHQCI-KRWDZBQOSA-N 372.425 1.228 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)cc1 72796929 YUDGVAYDJMUGHF-MRXNPFEDSA-N 365.499 1.170 0 40 FDAB COc1ccccc1CNC(=O)CN(C1CCCCC1)S(C)(=O)=O 38556583 FDONXWUFRSAOQP-UHFFFAOYSA-N 354.472 1.906 0 40 FDAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc2c(c1)OCCO2 35999922 KONMVBWFMSRUME-HIFRSBDPSA-N 360.410 1.327 0 40 FDAB CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 72389386 KABHGIIRRHKRKS-UHFFFAOYSA-N 362.455 1.598 0 40 FDAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCN1CCOCC1 222901472 KIQQUONWIMNUOT-CQSZACIVSA-N 351.422 1.011 0 40 FDAB Cc1cccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 224327996 CVABWQXMMCMBNI-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB COc1ccccc1OCC(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225399925 BMKULFQMDDDUML-CQSZACIVSA-N 372.425 1.610 0 40 FDAB CCCn1c(=O)sc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 225723297 BMHCJQQOBRPMGY-NSHDSACASA-N 356.469 1.930 0 40 FDAB O=C(Cn1cncn1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225756306 CDUUQDKVVIDBIM-UHFFFAOYSA-N 357.443 1.515 0 40 FDAB O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CCn2cncc2C1 332973166 QJXKPNFSMXAHSI-YOEHRIQHSA-N 356.401 1.502 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cnccn1)C2 96230468 WKHUTIJEFVXDIB-LJQANCHMSA-N 369.400 1.179 0 40 FDAB COCCN1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@H]2C1 96249621 DFJNEDHTQRXNMO-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB Cn1ccnc1CN1CCOC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 96078438 LRCJBGPBNWWWIM-APWZRJJASA-N 357.458 1.535 0 40 FDAB O=C(C1CCOCC1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061772 NMOMLTCPVLDTRC-LLGFUMIMSA-N 367.449 1.597 0 40 FDAB C[C@@H]1CCCCN1C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147325 USRSWLQTYLEZNQ-GFCCVEGCSA-N 360.439 1.679 0 40 FDAB O=C(NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2)c1cnccn1 257264967 LWTCBXAHMIEZIU-QGHHPUGFSA-N 357.370 1.287 0 40 FDAB Cc1nc(CC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cs1 257238061 HJKVSOYHBMCLCB-BFYDXBDKSA-N 353.488 1.115 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257267720 MINHRIYSMUJPOX-QGZVFWFLSA-N 350.382 1.579 0 40 FDAB COCC(=O)N1CCC(Cc2cncc(-c3c(C)nn(C)c3C)n2)CC1 257322860 WHSVEUPIUDCFKV-UHFFFAOYSA-N 357.458 1.921 0 40 FDAB Cn1cc([C@H]2CN(C(=O)C[C@H]3OCCc4ccccc43)C[C@@H]2C(N)=O)cn1 284555970 IPPSVNAFKJWWTC-FGTMMUONSA-N 368.437 1.152 0 40 FDAB CN1C(=O)CN(C(=O)c2c[nH]nc2[C@H]2CCCCN2)Cc2ccccc21 685942929 UNUNIJQAJNMGBH-OAHLLOKOSA-N 353.426 1.843 0 40 FDAB COc1cc(C)nc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 597976523 YZZLKKMLSHKUQE-QGZVFWFLSA-N 367.453 1.721 0 40 FDAB COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 643847314 DLBMRIDXNYHIKU-KRWDZBQOSA-N 351.355 1.172 0 40 FDAB C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CS1(=O)=O 665158005 ADUYREDSGVMDDJ-BPLDGKMQSA-N 369.462 1.669 0 40 FDAB CC(C)CCC(=O)N1Cc2cncn2[C@H](C(=O)NCC2CCOCC2)C1 585096130 SUTSRAOULMFIIV-KRWDZBQOSA-N 362.474 1.745 0 40 FDAB CN(C1CCN(Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585291656 REPAEECUCMYQKF-AQNXPRMDSA-N 359.470 1.185 0 40 FDAB Cn1nccc1C(=O)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998367 DHDSPXVURHSYLV-GOSISDBHSA-N 367.453 1.374 0 40 FDAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 96104164 GDUQLZHRFTVRBH-OCZCAGDBSA-N 355.481 1.948 0 40 FDAB O=S(=O)(C[C@@H]1COc2ccccc2O1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 641537449 XYKMHHDLFDVAJL-YJNKXOJESA-N 353.440 1.249 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615155470 IDJJFJOCDQAPBY-FQEVSTJZSA-N 366.421 1.823 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C(C)(C)C)C[C@H]23)n1 1549162088 NLYDENMDQDNJHL-ZDUSSCGKSA-N 359.430 1.053 0 40 FDAB O=C(CCCn1cncn1)N1C[C@H]2CCc3c(n[nH]c3C(F)(F)F)[C@H]2C1 19407049 HCPHRIVHMODRLS-PWSUYJOCSA-N 368.363 1.989 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500785 UGHYKAZVRXKAKA-XMDUPGNXSA-N 362.401 1.803 0 40 FDAB CCc1onc(C)c1C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 19521130 DKOVWKMHKGQRHY-UHFFFAOYSA-N 357.414 1.371 0 40 FDAB Cc1nc2cc(-c3ccco3)nn2c(NC[C@H](O)CN2CCOCC2)c1C 19555722 OKPCIOHTZGPRLZ-HNNXBMFYSA-N 371.441 1.711 0 40 FDAB Cc1cc(=O)n(CCC(=O)NC[C@H](C)N2CCOCC2)c2ccccc12 19566547 DZLRPIXVWNOHPC-INIZCTEOSA-N 357.454 1.537 0 40 FDAB C[C@@H](c1cc(=O)[nH]c(NC2CCOCC2)n1)n1ncc2ccccc2c1=O 19717489 OXCAFIOROAPKBJ-LBPRGKRZSA-N 367.409 1.680 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 19961133 FRYYNWLOWPJLNC-GFCCVEGCSA-N 353.382 1.435 0 40 FDAB CCN1CCO[C@@H](CNCc2cnccc2N(C)C)[C@@H]1c1cnn(C)c1 657622287 NEGRNBNMANLGQW-OALUTQOASA-N 358.490 1.433 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cnc2ccccc2n1 575617317 SJARFPBEUHKFCZ-AWEZNQCLSA-N 374.466 1.011 0 40 FDAB Cc1cn2nc(OCC3CCN(C(=O)c4ccnn4C)CC3)ccc2n1 1888879383 JFUDPRPCVLBPTB-UHFFFAOYSA-N 354.414 1.702 0 40 FDAB Cc1cc2ncnc(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)c2[nH]1 1888890476 AFPZWZQJCPZWME-GASCZTMLSA-N 361.405 1.888 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)ncnc21 1888903918 ZKYOJDDRWXZNGR-CHWSQXEVSA-N 367.388 1.106 0 40 FDAB Cc1cc(C(=O)N2CCC(n3c(O)nc4ccccc4c3=O)CC2)no1 238867300 MBNVIQCZYYEXPJ-UHFFFAOYSA-N 354.366 1.876 0 40 FDAB COc1cnc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223503 OUEJJORXLWGOIF-LJQANCHMSA-N 368.441 1.798 0 40 FDAB CN(C)c1cc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)ncn1 2087143615 AMBJXKPYPSNTCQ-UHFFFAOYSA-N 365.445 1.060 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1cccs1 8954725 KPQOYMJIAUSRCN-UHFFFAOYSA-N 351.409 1.543 0 40 FDAB CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1C[C@H](C)O[C@H](C)C1 13286793 DRQOMWRTPNVOQQ-BETUJISGSA-N 365.455 1.466 0 40 FDAB CC1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)N2CCOCC2)C3)CC1 2055713765 ITDFFWPZFJYKHQ-OAHLLOKOSA-N 360.458 1.176 0 40 FDAB O=C(Nc1ccccc1)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713682 YBURNZPLGDRWFZ-AWEZNQCLSA-N 354.410 1.557 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1 585148908 MQANXULSBYYWJY-UHFFFAOYSA-N 352.441 1.252 0 40 FDAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 40024148 GXKXVCTUUSTDRG-LBPRGKRZSA-N 373.434 1.892 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)/C=C/c2nccs2)CC1 40151864 QKOLYQLMYHCJGS-ONEGZZNKSA-N 367.427 1.437 0 40 FDAB CNc1snc(C)c1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 30777184 YMJYCWGIYBQLDG-UHFFFAOYSA-N 368.484 1.510 0 40 FDAB CN1CCN(C(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)CC1 20663630 XIZOPQDDBGTKGA-FMIVXFBMSA-N 351.453 1.558 0 40 FDAB CN1N=C(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CCC1=O 32205811 OKXSAWNZKDEYGZ-UHFFFAOYSA-N 366.443 1.310 0 40 FDAB C[C@@H](c1ccccc1F)N(C)CC(=O)N1CCN(c2cnccn2)CC1 53125147 PUPCZFSRLUYDLB-HNNXBMFYSA-N 357.433 1.957 0 40 FDAB COc1cccc(C(=O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 42293602 XIEAZEDPZSDKCT-UHFFFAOYSA-N 362.407 1.450 0 40 FDAB Cc1nc(N2CCOCC2)sc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 46429493 OLPDCZXXFODLEW-VCHYOVAHSA-N 374.422 1.750 0 40 FDAB C[C@H]1CCc2ccccc2N1CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 105633484 CWNYWLIYAACUMR-ARFHVFGLSA-N 367.515 1.771 0 40 FDAB NS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCCCC2)CC1 24649190 UICXTRAOSINHPH-UHFFFAOYSA-N 366.487 1.531 0 40 FDAB CCn1nnc2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)ccc21 12223929 TUGJXPIMLITKCT-UHFFFAOYSA-N 366.425 1.613 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 12391906 PLIJVEZUKJQKOJ-AEFFLSMTSA-N 366.417 1.940 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)CC(=O)NC1CC1 58190897 MADXDUGJCQMWPI-UHFFFAOYSA-N 365.455 1.021 0 40 FDAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 58157703 BOXQVLRAFYGVQE-ZDUSSCGKSA-N 371.437 1.969 0 40 FDAB Cn1c(SCC(=O)NC(=O)[C@H]2COc3ccccc3O2)nnc1C1CC1 10109574 QHESGLXMGGBFKK-CYBMUJFWSA-N 374.422 1.267 0 40 FDAB CC(C)Oc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)s1 58208693 XQPALKBYMWRFTI-UHFFFAOYSA-N 358.367 1.806 0 40 FDAB CCNC(=O)NC(=O)Cn1nc(-c2ccccc2)c2c(C)onc2c1=O 58357015 SHYJTUGZPRPMLT-UHFFFAOYSA-N 355.354 1.206 0 40 FDAB CC(C)[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 10678918 NJONRYYMEACXNL-INIZCTEOSA-N 357.389 1.783 0 40 FDAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)CNC(C)=O)cc1 3615088 XQQNJYVEQFYDQG-LJQANCHMSA-N 369.421 1.970 0 40 FDAB biogenic COC(=O)C1=C(CSc2ncnn2C)NC(=O)N[C@H]1c1ccccc1C 5018396 BSSCEPBOSAKIRH-AWEZNQCLSA-N 373.438 1.697 0 40 FDAB O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(c2ccccc2)CC1 13729834 JBJLRSRKSFDEPE-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 4386475 JIZTWYSCOZVQDK-UHFFFAOYSA-N 359.773 1.636 0 40 FDAB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6291303 GAFRBFHXCYBSAY-NEPJUHHUSA-N 352.412 1.561 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CCCN(C(N)=O)C1 39995563 FTDKVIPEVRODPE-NSHDSACASA-N 352.822 1.494 0 40 FDAB COc1cc(OC)c(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1Cl 3882451 AFQKCAKHRSIRMH-JAMKOXHTSA-N 365.769 1.728 0 40 FDAB COc1noc(COc2ccccc2OC[C@@H](O)CNC(C)(C)C)n1 5353058 NXTODQHJOKDVFU-LBPRGKRZSA-N 351.403 1.785 0 40 FDAB investigational O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc2ccccc2c1=O 8879908 CREUWKHMVNUGJY-KRWDZBQOSA-N 363.373 1.435 0 40 FDAB biogenic C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)NC1CCCC1 5574214 MUDDJXWOWDPFST-LLVKDONJSA-N 354.428 1.662 0 40 FDAB CCOC(=O)C1=NN[C@@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 4897742 ZDDFSESZEUOANP-OAHLLOKOSA-N 370.192 1.908 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 71285457 YHQOBDGIDSCHNR-QWHCGFSZSA-N 352.412 1.304 0 40 FDAB NC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 15858557 BHOIACBIPQRKQQ-UHFFFAOYSA-N 373.390 1.104 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)N2CCCCC2)cc1 7814439 KXDSVQFKUBRUNX-GOSISDBHSA-N 370.453 1.746 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)sc1C 91046027 ZQYICQOGSYWTDF-CQSZACIVSA-N 371.528 1.292 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccncc2)C1=O 8023928 HZTHUGCNOYATNU-LJQANCHMSA-N 352.394 1.555 0 40 FDAB CCS(=O)(=O)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 306131589 KJJLAIQGTCLORZ-GOSISDBHSA-N 358.467 1.790 0 40 FDAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1C(=O)NC1CC1 8313856 IQKAHXUFVWUVSL-UHFFFAOYSA-N 358.427 1.631 0 40 FDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCc1ccc2c(c1)OCO2 9420967 OSTZFPMAMSQWAL-UHFFFAOYSA-N 360.761 1.463 0 40 FDAB Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 97013510 YYLYZBBDSWEYRD-BETUJISGSA-N 350.415 1.585 0 40 FDAB C[C@H](c1ccccc1Cl)N1CCN(CC(=O)N2CCNC2=O)CC1 97005113 SXWQMMPSFZNIEB-CYBMUJFWSA-N 350.850 1.570 0 40 FDAB Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@H]3CCCO3)CC2)cc1 22810835 GFPVSBPKIOIDDE-QGZVFWFLSA-N 367.515 1.070 0 40 FDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945613 AFENRYYVSJAFQI-INIZCTEOSA-N 374.416 1.144 0 40 FDAB COC(=O)CCNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36354949 JLISYPVIQASXCO-UHFFFAOYSA-N 355.350 1.331 0 40 FDAB CCC[C@@H]1C[C@H]1C(=O)NC1CC2(CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 1014019504 GOJRWHFWQKDZOJ-PUUBUJTCSA-N 361.486 1.635 0 40 FDAB Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1C 524735233 JIZUTJUKBNYOAF-ZDUSSCGKSA-N 359.382 1.255 0 40 FDAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)NC1 31740601 INVUARDHWRHRBG-UHFFFAOYSA-N 362.773 1.180 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35808674 BAUVBXLDNZRGPD-UDTPNQRGSA-N 373.497 1.527 0 40 FDAB CCOC(=O)c1c(N)n([C@H]2CCS(=O)(=O)C2)c2nc3ccccc3nc12 32553492 WPLHSBLBUUWLCT-JTQLQIEISA-N 374.422 1.703 0 40 FDAB CN1CC(=O)N(CCCC(=O)NCCc2cccc3cccnc23)C1=O 40042689 GNCKMLYNZJBHCJ-UHFFFAOYSA-N 354.410 1.568 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NC[C@@H]1CC(=O)N(c3ccccc3)C1)C2 225522676 GVPVUZCOHOAQTE-LSDHHAIUSA-N 352.438 1.992 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 225167961 ZEYLZKXQEWNQOR-HZPDHXFCSA-N 354.472 1.377 0 40 FDAB N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1)Cc1ccccc1 582354736 DVLHFQLPKUIRPM-QUCCMNQESA-N 365.477 1.953 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2cnccn2)CC1 90677835 WEKOTGOYRJNMHR-UHFFFAOYSA-N 350.382 1.741 0 40 FDAB CN(Cc1ccccc1)[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CNCc1ccc(F)cc1 96482534 OYTNJOYCFVAJEH-PLACYPQZSA-N 374.456 1.537 0 40 FDAB biogenic,in-vitro Cc1ccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)s1 248048260 AKBSECMAMHJAFR-CQSZACIVSA-N 354.501 1.749 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)no1 248088831 BTPIWGCSBSXIJP-OAHLLOKOSA-N 356.426 1.993 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H]1c1cncn1C 583620909 BOHJVGURWICFHS-CXAGYDPISA-N 352.398 1.160 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)CN(C1CCOCC1)C2 248019730 HQRWKNIQIBZGLU-HNNXBMFYSA-N 360.483 1.876 0 40 FDAB Cc1cc(CN2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)no1 247940959 USIJFUKIFCJKLX-ZDUSSCGKSA-N 355.460 1.046 0 40 FDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247814112 ACPWIGYAPDYPMR-UHLLFVAZSA-N 374.437 1.713 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)ccn1 257262038 LJTSCTJNOMJHMD-HNNXBMFYSA-N 355.398 1.661 0 40 FDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2S(=O)(=O)C2CCCC2)n1 257201980 AJYHHBYKMCIPML-AWEZNQCLSA-N 354.476 1.497 0 40 FDAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccnc(N(C)C)n1 613262495 BOJVTQLSSOEJJI-HUUCEWRRSA-N 358.446 1.543 0 40 FDAB CCn1ccnc1CN1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 677088351 LVNIRDRONGUJDS-UHFFFAOYSA-N 352.442 1.748 0 40 FDAB COc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2cccc(C(C)C)n2)nn1 1775997273 ZKRKLLGKHVEVFR-ZDUSSCGKSA-N 371.441 1.894 0 40 FDAB NS(=O)(=O)c1ccc(CC(=O)Nc2cc(C3CCCC3)[nH]n2)s1 605539980 CBGZZZSUHQRJNQ-UHFFFAOYSA-N 354.457 1.957 0 40 FDAB Cc1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C)o1 96124258 JBGGTOCKYHSHPF-UHFFFAOYSA-N 353.386 1.230 0 40 FDAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 585103406 VQIWXCDOEJATHY-CBJHCWRLSA-N 359.470 1.149 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)c3conc3C)CC2)N1S(C)(=O)=O 585104005 YBYRIQNYXDWNPM-ZDUSSCGKSA-N 371.459 1.028 0 40 FDAB COc1ccc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)cc1 585270885 CIMPCFKIVBYTDV-FQEVSTJZSA-N 357.406 1.978 0 40 FDAB CC(C)CN1[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2OCCS1(=O)=O 1534645824 IVEPLILMEXFMDA-CVEARBPZSA-N 367.471 1.589 0 40 FDAB Cc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)cc1 1549162469 QJUZMQJUKLRRPV-MRXNPFEDSA-N 369.421 1.263 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O 8105247 PKHKSZMRIBHKRL-LCYFTJDESA-N 350.396 1.494 0 40 FDAB Cc1noc(C)c1C(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594730 OZTVHNPFUCFQCG-CQSZACIVSA-N 370.409 1.449 0 40 FDAB CN1CCNC(=O)[C@H]1CC(=O)N[C@@H](Cc1cccs1)c1nccs1 12225866 GUUBBLMTXBVKIB-QWHCGFSZSA-N 364.496 1.425 0 40 FDAB CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(c3ccc(C)cc3)CC2)n1 14608515 IESQNZMOUWGSBO-UHFFFAOYSA-N 356.426 1.511 0 40 FDAB NC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 10939657 QGXNSCMVHKOSGO-UHFFFAOYSA-N 352.394 1.728 0 40 FDAB CC(C)N1CC[C@H](N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O 1888842855 RNNWTXOTQZJLPI-ZACQAIPSSA-N 355.438 1.113 0 40 FDAB Cn1ncc2c(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)ncnc21 1888890720 PGSRKLMBNINWSO-UHFFFAOYSA-N 362.344 1.123 0 40 FDAB COc1ccc2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)ccc2c1 1889139329 DLZMCBAHMYADAQ-KRWDZBQOSA-N 357.410 1.307 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 15302755 IQEVNGDECORWTC-MAUKXSAKSA-N 359.470 1.899 0 40 FDAB CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 4519347 COKJBGZSXUMYQL-NSHDSACASA-N 356.425 1.108 0 40 FDAB Cc1cc(NC(=O)C(=O)N2CCCCCC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038598 OKCAHJVERRGCII-UHFFFAOYSA-N 372.429 1.222 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1OC 10331122 SQZHDYCKPTWQTE-ZDUSSCGKSA-N 361.398 1.654 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11024231 AYUOOUUEVWCLKN-BLDNINTCSA-N 350.367 1.989 0 40 FDAB biogenic Cc1ncnc(N2CCN(C(=O)c3ccc4nsnc4c3)CC2)c1F 1775975461 HNLVWUPJQUGCKV-UHFFFAOYSA-N 358.402 1.891 0 40 FDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(c5ncccn5)C[C@H]4C3)ncn2)n1 585613828 CNBLZALKKLDNQN-IYBDPMFKSA-N 362.441 1.642 0 40 FDAB COC(=O)Cn1/c(=N\C(=O)c2ccnn2C)sc2cc3c(cc21)OCO3 101335370 AZTPRRVASRMBKU-FBMGVBCBSA-N 374.378 1.079 0 40 FDAB O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccc(F)c(Cl)c1 225646341 MAJGOCOZPCOPTR-UHFFFAOYSA-N 369.809 1.828 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2cccs2)no1 40072423 LFXVNHCDWSGDNB-LLVKDONJSA-N 356.473 1.702 0 40 FDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)N1CCN(c2ccc(F)cc2)CC1 7954131 KINMSTMIXCIXRY-UHFFFAOYSA-N 374.416 1.543 0 40 FDAB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc(C(N)=O)c1C 2486625 XGWGLUQSFGODKH-BDAKNGLRSA-N 366.395 1.548 0 40 FDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12 29073948 IYWAAGGHJRCQLV-CQSZACIVSA-N 360.377 1.943 0 40 FDAB COc1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1OC 11543038 CWVCHHYPTYUOAS-UHFFFAOYSA-N 356.426 1.775 0 40 FDAB Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 20533609 LJHOULKEORVKRY-UHFFFAOYSA-N 374.437 1.496 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCO1 21033871 QEHNJBYEWZMARN-ZDUSSCGKSA-N 358.485 1.718 0 40 FDAB O=C(c1cccnc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928190 OZJMFUNPTRUCGR-UHFFFAOYSA-N 365.842 1.882 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 6954702 CJSCRVDGYKZVAM-KPKJPENVSA-N 365.363 1.749 0 40 FDAB COc1ccccc1C(=O)NCC(=O)NCc1ccc(NC(C)=O)cc1 21134530 QXSKFKHVWUYTGF-UHFFFAOYSA-N 355.394 1.700 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 8369933 KVXQVPVWHJOFLT-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102399084 LWRRXOUUZRUDDD-GJZGRUSLSA-N 374.393 1.352 0 40 FDAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCCCO2 32905040 JFHDVYRBFSFNJB-GOSISDBHSA-N 373.409 1.211 0 40 FDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccco3)n2)c1 32916141 DUDXYJMQGNEFTI-UHFFFAOYSA-N 368.397 1.647 0 40 FDAB Cc1cc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1 11903007 OEXIKPUUCYVZSV-UHFFFAOYSA-N 366.468 1.766 0 40 FDAB CCOC(=O)C12CCC(NCC(=O)N3C[C@H](F)C[C@H]3C#N)(CC1)CC2 59791220 AKFNKZFJBFQFAA-LHVTWPBJSA-N 351.422 1.695 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(Cl)c1Cl 665700 GACQECUZTFIGDT-UHFFFAOYSA-N 367.254 1.888 0 40 FDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 108527559 TUBZGKYMIJAEFK-ROUUACIJSA-N 355.442 1.239 0 40 FDAB CCC(CC)c1nnc(NC(=O)c2ccc(=O)n(CCOC)n2)s1 22975349 RXTZCBNAHSPASI-UHFFFAOYSA-N 351.432 1.897 0 40 FDAB CCCn1nc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccc1=O 22922094 PNBQMCNDLJLQSB-UHFFFAOYSA-N 369.830 1.963 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccn1 47012823 NEKFZVLMBAWNDB-RDTXWAMCSA-N 371.466 1.646 0 40 FDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O 23750785 DGYCBTCSJGKZNQ-IBGZPJMESA-N 370.384 1.347 0 40 FDAB CC(C)NC(=O)N1CCC[C@]2(C(=O)O)CN(c3nncs3)C[C@@H]2C1 107201702 CFPUJXJRQYVBCR-NHYWBVRUSA-N 353.448 1.259 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 26958790 CFNVDHLHKICADS-HNNXBMFYSA-N 370.471 1.108 0 40 FDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCc2ncnn2C1 109072659 QPHSQCXTIHDIEI-CQSZACIVSA-N 359.478 1.076 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1cc(F)cc(F)c1 58180889 FPBIIQDGXZDSEH-UHFFFAOYSA-N 372.368 1.741 0 40 FDAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ncccn2)cc1C 10310583 LGTVCEWPXQSZIZ-ZDUSSCGKSA-N 356.382 1.394 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 58419690 OBJALYYIYTVMGL-HOCLYGCPSA-N 363.433 1.184 0 40 FDAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 10663598 BTXMSUWXMAWLON-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB C[C@H]1CN(C(=O)CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 36394736 OPJAXWXGPABBSB-ZNMIVQPWSA-N 368.499 1.719 0 40 FDAB Cc1c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 3340944 YMCRCCJPVUTSTC-GFCCVEGCSA-N 365.407 1.544 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N1CCc2sccc2C1 12783740 PKZFELZIFUNXGT-HNNXBMFYSA-N 369.446 1.796 0 40 FDAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Br)cc2)C1=O 12767591 COQASMZCQZPDEX-IAQYHMDHSA-N 371.231 1.909 0 40 FDAB COc1ccccc1COC[C@H](O)CN1CCN(c2nccs2)CC1 12760223 NRUYPUVTMGSJST-MRXNPFEDSA-N 363.483 1.851 0 40 FDAB COc1ccc(CCNC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1 12860928 KLKFDULIXVYGPT-UHFFFAOYSA-N 372.421 1.801 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCc4ccccc43)cnc21 12818396 BYVDBSKNKYFENX-INIZCTEOSA-N 364.405 1.912 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(C(C)C)n1Cc1ccco1 12910061 JZWHKAJANCVQKQ-JTQLQIEISA-N 351.432 1.979 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3ccccc3C)CC2)C1=O 13068653 HEUHAIACWOWETM-IBGZPJMESA-N 358.442 1.364 0 40 FDAB COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 8379682 RTBIFNSFZXCJPV-UHFFFAOYSA-N 374.462 1.771 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cn(-c3ccccc3)nc2-c2ccn(C)c2C1 306136837 QERVQASQXGSKLS-UHFFFAOYSA-N 371.466 2.000 0 40 FDAB CCCCCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4004834 CKLBEZKNLHWJMH-UHFFFAOYSA-N 361.490 2.000 0 40 FDAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(F)ccc1-n1cnnn1 49550633 VKVGPGSHLAQMPC-LLVKDONJSA-N 361.362 1.757 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1c(=O)[nH]c2ccccc2c1=O 17042604 JWPXLFQPGPFNTP-JTQLQIEISA-N 353.334 1.618 0 40 FDAB Cc1nn(CCc2nc3c4cn[nH]c4ncn3n2)c(C)c1Br 6412429 PHLHDSCLOGTQHK-UHFFFAOYSA-N 361.207 1.819 0 40 FDAB COC[C@H](C)n1c(SCc2nc(N)nc(N)n2)nc2ccccc2c1=O 14125353 VOJYLLCLCBPJQG-VIFPVBQESA-N 373.442 1.246 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1 8423906 MDRWZKIZNCATHV-UHFFFAOYSA-N 361.423 1.353 0 40 FDAB Cc1nc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc1C(=O)OC(C)C 4749912 FYVALLNTCNZOMD-JTQLQIEISA-N 360.457 1.780 0 40 FDAB O=C(COC(=O)c1cc2ccccc2cc1O)N[C@H]1CCS(=O)(=O)C1 5841739 PISUGRBJBVUCMR-ZDUSSCGKSA-N 363.391 1.006 0 40 FDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 7425595 PQPZYQMWXALXAF-UHFFFAOYSA-N 371.416 1.847 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)c1ccc[nH]1 7653784 SFNUFFYRPIXWMA-OAHLLOKOSA-N 362.407 1.127 0 40 FDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2nnc3ccccn23)c1 7737666 DVMPROPEBZBBTB-UHFFFAOYSA-N 366.381 1.576 0 40 FDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)noc1C 24347783 KMXYARXURVDGLN-UHFFFAOYSA-N 353.400 1.468 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)cc1Cl 96000484 PMPDSBKIIBBJLT-SNVBAGLBSA-N 356.835 1.539 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cn3ccccc3n1)C2=O 9318238 RHNGZYLCNURRMH-DJJJIMSYSA-N 369.425 1.451 0 40 FDAB CCn1cnnc1CNC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 83843661 HUDLATKCTWBPHE-CVEARBPZSA-N 359.430 1.332 0 40 FDAB CCCOc1ncccc1CNC(=O)Cc1ccc(-n2cnnn2)cc1 60092028 UMFCWMQYGMMDMT-UHFFFAOYSA-N 352.398 1.705 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)O)c1 9646854 OSIXJWWBLJKRDS-CYBMUJFWSA-N 374.846 1.670 0 40 FDAB NC(=O)[C@@H](NC(=O)NCC(=O)N1CCCc2ccccc21)c1ccccc1 84519331 YECRYEKULKFYLZ-SFHVURJKSA-N 366.421 1.492 0 40 FDAB CN(C(=O)CN1CCC[C@@H]1C(=O)Nc1nccs1)c1nccs1 74314055 VNAMRCAPLAFUEX-SNVBAGLBSA-N 351.457 1.666 0 40 FDAB C[C@@H](CNS(=O)(=O)c1cnn(C(F)F)c1)Cn1cc(Cl)cn1 36615107 NIZYFEXAYZCDFV-QMMMGPOBSA-N 353.782 1.743 0 40 FDAB Cc1c(S(=O)(=O)NC2CCN(CC(=O)O)CC2)oc2ccc(F)cc12 547900779 YGARKWVAONESDT-UHFFFAOYSA-N 370.402 1.708 0 40 FDAB COCC(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1 35429444 YQWIUFIUIOJKSU-UHFFFAOYSA-N 367.412 1.325 0 40 FDAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cccs2)C3)C[C@@H](C)O1 72346954 FRTBDAVDDOTTMD-TXEJJXNPSA-N 374.466 1.644 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 36364824 FEEVXISYSSEFCY-CQSZACIVSA-N 363.439 1.836 0 40 FDAB COc1ccc(-c2nc(C)c(C(=O)NCC(=O)NCC(=O)O)s2)cc1 49548139 WSCPZIBVDVNWNT-UHFFFAOYSA-N 363.395 1.058 0 40 FDAB CCOCCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222741938 OENCKUJNWRERLA-NSHDSACASA-N 364.414 1.662 0 40 FDAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2c2ncon2)c1 329972803 ZGJFHEDPORZICA-QEJZJMRPSA-N 359.382 1.790 0 40 FDAB O=C(NC[C@H]1CCCO1)c1nnn(-c2ccc(Br)cc2)n1 75163764 JQBYTBAONNEQPV-LLVKDONJSA-N 352.192 1.334 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)[C@@H]1CCCO1 85555695 SGNAJBPJCCMFCG-HNNXBMFYSA-N 354.414 1.316 0 40 FDAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 225964071 WONPYTIOUCIBIP-UHFFFAOYSA-N 361.423 1.728 0 40 FDAB COc1cc(N2CCC[C@@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)ncn1 96075641 YRAAQTGBBUVOHP-QFBILLFUSA-N 361.490 1.108 0 40 FDAB O=S(=O)(c1cc(NC[C@@H]2CCCOC2)ccc1F)N1CCOCC1 330311452 VTGOLOFQEKMOIZ-ZDUSSCGKSA-N 358.435 1.685 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC(C)C)C1 96252951 AOKBETGVMUJLIA-OWCLPIDISA-N 366.483 1.545 0 40 FDAB CCS(=O)(=O)N1CC2(C[C@H](COCc3ccccn3)CCN2C)C1 248135787 OKWRYVNFBDGTKT-OAHLLOKOSA-N 353.488 1.344 0 40 FDAB Cn1cncc1-c1cncc([C@@H]2CCCN(CC3(O)CCOCC3)C2)n1 257223224 DWKWZLXMOUZKFD-OAHLLOKOSA-N 357.458 1.598 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 252514988 FQVVFNIRUDSZMG-JFIYKMOQSA-N 362.403 1.698 0 40 FDAB COc1ncccc1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257284629 PDOKLJSODUGVQD-VNQPRFMTSA-N 353.426 1.867 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 257270759 MVNZSOROEQLPNC-OAHLLOKOSA-N 355.442 1.271 0 40 FDAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3cncnc3)CC2)n1C 257300809 RVTMJWFUEWSYBG-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cccc(C(=O)O)c2)C1 257329671 XKYRPNROLWBZIW-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2)C[C@H]1n1ccc(O)nc1=O 257303421 SHEZQFUDIYVWBF-XDHHIGIXSA-N 355.394 1.187 0 40 FDAB Nc1ncc2c(n1)CN(C(=O)C1(Cc3ccccc3)CCOCC1)CC2 623327955 HSLYNRBZYUKJNL-UHFFFAOYSA-N 352.438 1.983 0 40 FDAB Cn1cc(O[C@@H]2CN(C(=O)c3cccc(-c4ccoc4)c3)C[C@H]2O)cn1 628260792 VVQNMGMWYURXLE-QZTJIDSGSA-N 353.378 1.944 0 40 FDAB Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1=O 650216386 ZHUWLEJBXYFRIY-QGZVFWFLSA-N 351.406 1.231 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@H]1c1cnn[nH]1 657144142 BEYCANWUDVJBJA-TVQRCGJNSA-N 358.370 1.194 0 40 FDAB Cc1nc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c(-c2ccccc2)s1 663292490 YGMJCFLLWRUEGQ-GFCCVEGCSA-N 368.436 1.593 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CC12CC2)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 1775991310 KRGCTQCAXWROGQ-CJNGLKHVSA-N 361.486 1.446 0 40 FDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)c1 575406464 XIQQAKYVDGWXGH-INIZCTEOSA-N 355.398 1.338 0 40 FDAB CSCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095330 NILRYVQXBCPPLF-OAHLLOKOSA-N 366.487 1.062 0 40 FDAB CC(=O)NCc1nc(C2CCN(C(=O)C3CC(O)C3)CC2)n2ccccc12 585113213 HYTHDEUZQODGDT-UHFFFAOYSA-N 370.453 1.447 0 40 FDAB COCC(=O)N1CC(F)(F)C[C@@]2(CCN(Cc3ccncc3)C2=O)C1 585093159 GFYWEBRMEABBEL-INIZCTEOSA-N 353.369 1.314 0 40 FDAB Cc1nccn1C[C@@H]1CCCN1CC(=O)NC(=O)NCc1cccs1 89735555 BRBXTMRCBGUCCQ-AWEZNQCLSA-N 361.471 1.743 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC2(CCc3ccccc3O2)CC1 85557751 FTAMQRJZPANLOU-UHFFFAOYSA-N 369.421 1.313 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1nc(C)c(Cl)c1C 1615151268 GXGLALQFXSOVBF-IOASZLSFSA-N 359.854 1.431 0 40 FDAB O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1 12603729 NNLDIZFDNXBPLI-KVPLUYHFSA-N 374.412 1.433 0 40 FDAB biogenic,in-vitro Cc1ccc(C)c(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)c1 13670343 VRSDRHZBCHLISR-UHFFFAOYSA-N 367.515 1.672 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1ccc3c(c1)C[C@H](C)O3)CC2 19286401 GXBDPAOWVDRECN-LBPRGKRZSA-N 353.422 1.572 0 40 FDAB CN1CCN(c2nc(O)cc([C@H]3CC(=O)N(Cc4ccccc4)C3)n2)CC1 19590103 RKBMXCHZCGQPNQ-INIZCTEOSA-N 367.453 1.450 0 40 FDAB CN(Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1)C(=O)Cc1ccccn1 19709875 NOHDYPBUXOJGGN-KRWDZBQOSA-N 368.485 1.953 0 40 FDAB CNc1nc(C2CCN(C(=O)C(C)(C)OC)CC2)nc2c1CCN(C)C2 19711365 GFNZYYFWLUPXJM-UHFFFAOYSA-N 361.490 1.637 0 40 FDAB Cc1cn2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1C(C)C 4370475 VULPQBGROPMIOC-UHFFFAOYSA-N 359.430 1.654 0 40 FDAB O=C(OCC(F)(F)F)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 244983851 ITSYYHWCEDELQZ-UHFFFAOYSA-N 360.336 1.676 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc(C)n(C)n5)C[C@@H]4C3)n1)CCC2 1888866921 YKMZRRRGSBCGQI-GJZGRUSLSA-N 366.469 1.524 0 40 FDAB O=C(c1nc[nH]n1)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901153 CLRTUHSKAOUAOO-LBPRGKRZSA-N 368.372 1.942 0 40 FDAB c1cnn(-c2cc(N3CCN(c4ncnc5c4CCCC5)CC3)ncn2)c1 1889149378 CRXPNDJIVMLRFZ-UHFFFAOYSA-N 362.441 1.658 0 40 FDAB Cn1cc(C(=O)N2CCC3(CC2)CC(=O)NCCc2ccccc2N3)cn1 2037989113 WBJBUQNWJQQDBK-UHFFFAOYSA-N 367.453 1.569 0 40 FDAB CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630664384 FUIIYIYLFXAGCF-QZTJIDSGSA-N 358.438 1.909 0 40 FDAB CN(C)C(=O)NCc1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565554710 XUZGMRYAEWABHQ-UHFFFAOYSA-N 358.446 1.348 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@]1(OCCO)CCSC1 1565520005 BEKYUELGEXLDPL-WVMJFEGXSA-N 351.424 1.429 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CSc2nc(O)c3c[nH]nc3n2)cc1 4249637 DQCZRALHSHFOQI-UHFFFAOYSA-N 373.394 1.966 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)NCCCOC(C)C)c1 5301873 WKFQHXDZWCGTAJ-UHFFFAOYSA-N 358.460 1.160 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c(OC)c1 10330991 DPHSFYALXZCGAF-AWEZNQCLSA-N 361.398 1.654 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)o1 2055754587 GFDVVEMTNMAMJG-AUUYWEPGSA-N 355.394 1.388 0 40 FDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1c(C)cccc1F)C2 2055781619 WAFKPCXKRYDSHI-DNVCBOLYSA-N 364.417 1.518 0 40 FDAB O=C(c1ccoc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148465 GPHZDJNWTRMRBZ-UHFFFAOYSA-N 359.304 1.711 0 40 FDAB COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 23055780 MUFZWDQLUVCCOZ-UHFFFAOYSA-N 363.395 1.171 0 40 FDAB O=C(COc1ccc(Oc2ccccn2)cc1)NCCN1CCOCC1 23195574 UECGMJKSKQEKNA-UHFFFAOYSA-N 357.410 1.701 0 40 FDAB COc1ccc(CCNc2ncnc3c2ncn3C(CO)CO)cc1OC 30835588 LFWCXOPFQVVMSB-UHFFFAOYSA-N 373.413 1.024 0 40 FDAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3C=C12 20112099 FKCWOQLNDLTAMC-YAOJWGSESA-N 362.514 1.911 0 40 FDAB biogenic CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(CC(N)=O)CC1 45608403 RARKTKSJTJREDI-UHFFFAOYSA-N 358.895 1.883 0 40 FDAB O=C(c1c(O)cccc1Cl)N1CCC[C@H](C(=O)N2CCOCC2)C1 69698339 KOTUGUUDVFZNRY-LBPRGKRZSA-N 352.818 1.757 0 40 FDAB Cn1nc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2c1=O 3586051 JLDBBVAXOPKCJS-UHFFFAOYSA-N 365.389 1.449 0 40 FDAB Cn1c(SCc2noc(C(C)(C)C)n2)nnc1[C@H]1CCS(=O)(=O)C1 32778950 VSYSELYGYMRBIZ-VIFPVBQESA-N 371.488 1.690 0 40 FDAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cccnc1-n1cccn1 102336517 RPUMNMVNYMWCAF-GFCCVEGCSA-N 353.348 1.881 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)NCc1cccnc1-n1ccnc1 32803401 ODLGLQASDIQKNR-UHFFFAOYSA-N 374.408 1.847 0 40 FDAB CC(C)C[C@@H](C(=O)OCC(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 8283643 YZQWDQCEYZNLRA-HNNXBMFYSA-N 358.394 1.519 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8328151 ANUDYVNPMQWSNY-ZUOKHONESA-N 355.438 1.953 0 40 FDAB C[C@H](NC(=O)NC(=O)CSc1nnnn1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 104253452 DCUITSVYXGAIKJ-MRBYEJRBSA-N 364.475 1.751 0 40 FDAB C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@@H]1O 100761968 RLUORQGMBKDXPO-VTTNHJLTSA-N 352.434 1.675 0 40 FDAB biogenic O=C1[C@H]2[C@@H](c3ccncc3)N3CCCN3[C@H]2C(=O)N1c1ccc(F)cc1 103001869 OZKQHYGTDUWJIS-GVDBMIGSSA-N 352.369 1.756 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 23641925 BWAVYHNMGHOSKX-UHFFFAOYSA-N 361.398 1.185 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(Cn2cncn2)cc1 25378199 NNPRCZWSIUJYFX-UHFFFAOYSA-N 353.382 1.308 0 40 FDAB CCCOc1ccc(CNS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1 56090404 YMNXJLIZWSWUFY-UHFFFAOYSA-N 365.455 1.652 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 58081777 ASMANPKJOWADDD-IBGZPJMESA-N 369.425 1.181 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)[C@H](C)SCc2ccccc2)CC1 58183193 HBGXQVJEXAZZTQ-INIZCTEOSA-N 363.527 1.979 0 40 FDAB COc1cccc(CC(=O)N2CCN(Cc3nnc(C4CC4)o3)CC2)c1 58202974 VBKCSOXKZAVDPB-UHFFFAOYSA-N 356.426 1.843 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(C)=O)C2)cc1 58215617 PPZPJPLRJAJPOT-YJBOKZPZSA-N 373.453 1.883 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)CCOC(C)C)CC2)c(OC)c1 58277903 NEACBZWZDMNBMW-UHFFFAOYSA-N 364.442 1.803 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2oc1=O 2117300 TXERAECKFIJMAY-UHFFFAOYSA-N 372.421 1.821 0 40 FDAB biogenic Cc1cccc(OC[C@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 58626357 VPVXJHKIIPBYKF-OAHLLOKOSA-N 353.382 1.187 0 40 FDAB Cc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 12940599 ARZVJDPJJSXQKM-JTQLQIEISA-N 372.497 1.947 0 40 FDAB Nc1nonc1-n1nnc(C(=O)N2CCCCCC2)c1-c1ccccc1 3902856 DXJOCKJDAHJXKA-UHFFFAOYSA-N 353.386 1.916 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCCCO2 17109860 AGBCGAWMNKYYFC-NSHDSACASA-N 350.371 1.627 0 40 FDAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cnccn2)n1 8709370 VREKSPIFYQAVCZ-UHFFFAOYSA-N 351.370 1.907 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118915305 JXCOSKURGJMQSG-IRSDPSERSA-N 366.498 1.653 0 40 FDAB in-vitro CCN(CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(C)c1 7287818 PVVVNJPHSAERHF-UHFFFAOYSA-N 372.469 1.802 0 40 FDAB CCCn1nnnc1COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 7399904 PJUAUNXEJPCVRN-UHFFFAOYSA-N 358.807 1.497 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16025067 RFJJEHFIBDNUEV-DKGOEBOQSA-N 361.829 1.880 0 40 FDAB Cc1nnc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1 7739345 XMESEUFOQWHLLI-UHFFFAOYSA-N 371.440 1.584 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1cccnc1 71280481 XSRRHQAOZBBCAP-UHFFFAOYSA-N 353.426 1.230 0 40 FDAB COC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 9314865 LRMJXHBCSQRTNE-DJJJIMSYSA-N 361.442 1.728 0 40 FDAB O=C1CN(c2ccc(NC(=O)COCC(F)(F)F)cc2Cl)CCN1 95949669 GYOSYSLGVQPNGX-UHFFFAOYSA-N 365.739 1.794 0 40 FDAB COCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCCC2)n1 67256950 JQTLVJZTAMHWOL-UHFFFAOYSA-N 374.416 1.445 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2[C@H](Oc3ccccn3)CCS(=O)(=O)[C@H]2C1 306140468 UUKVLGGLCYQSQP-ZACQAIPSSA-N 372.446 1.788 0 40 FDAB O=C(Nc1onc2c1CCCC2)[C@@H]1COCC(=O)N1Cc1ccccc1 75164218 OTXFZNBFHILUNN-INIZCTEOSA-N 355.394 1.920 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1cnn(C(F)F)c1 36615054 AASDXUXXWWXNSS-UHFFFAOYSA-N 373.307 1.780 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccc2c(c1)OCO2 39981754 JOCPUQZRMWFHGW-KBPBESRZSA-N 356.378 1.025 0 40 FDAB Cc1cc(C)c(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)c(C)c1 49409394 CPODBFIUWADZGF-UHFFFAOYSA-N 371.422 1.516 0 40 FDAB C[C@H](O)CNC(=O)CCCOc1nn(C)c2ccc(Br)cc12 226865237 LGNWVTNQYPMUDH-JTQLQIEISA-N 370.247 1.992 0 40 FDAB COCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 224036883 PQMOURNHXQBGJL-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB COCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225897227 BTBDOXQEAAJOAV-UHFFFAOYSA-N 350.492 1.610 0 40 FDAB CCN1C[C@H](C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)CC1=O 82120599 UBBDZDSJJRYFIZ-OAHLLOKOSA-N 373.501 1.516 0 40 FDAB COCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225098363 WNJLETQGPDVVKX-UHFFFAOYSA-N 356.429 1.024 0 40 FDAB C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NCCCO 226754721 GSSVKMNDCILSJF-SECBINFHSA-N 356.220 1.602 0 40 FDAB COc1cc(N2CC[C@@H]3OCCC[C@@]3(COCCN(C)C)C2)ncn1 96039524 RHYDGXPNESVTGM-YJBOKZPZSA-N 350.463 1.439 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(CCN(Cc3cccc(OC)c3)C2=O)C1 96159829 YLZSWMNHHMXKJD-QGZVFWFLSA-N 352.456 1.469 0 40 FDAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccco2)CC3)C1=O 96036486 DUSBTXXZWLKODM-FQEVSTJZSA-N 359.470 1.963 0 40 FDAB CCS(=O)(=O)N1CC2(CCN(C(=O)CN(C)C)CC2)c2ccccc21 96078890 GIUBYYZTYYKHIC-UHFFFAOYSA-N 365.499 1.278 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96048695 RBXJDNVRLUEUSI-HXUWFJFHSA-N 357.454 1.849 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245232015 NVVNHYDQXQRFEH-RWHSBRQSSA-N 356.400 1.478 0 40 FDAB CCn1cc(-c2ccnc3cc(C(=O)N4CCC(CO)CC4)nn23)c(C)n1 257289487 PYWHNAFVQCXNGF-UHFFFAOYSA-N 368.441 1.766 0 40 FDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCCOC)cc2NC1=O 257173423 MQJILCSGDVIFHF-HNNXBMFYSA-N 356.444 1.891 0 40 FDAB Cc1cc(N2C(=O)OCC2(C)C)nc([C@H]2CCCN2S(C)(=O)=O)n1 257319851 VUHVSYCYLNDYHU-LLVKDONJSA-N 354.432 1.617 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)n1 257254690 KEGLZCWYMMQOLA-SFHVURJKSA-N 354.458 1.911 0 40 FDAB CN1C[C@@H]2COCCN2C2(C1)CN(Cc1ccc(OC(F)(F)F)cc1)C2 604381924 VORZFTWUIRARJC-OAHLLOKOSA-N 371.403 1.786 0 40 FDAB biogenic,in-vitro NS(=O)(=O)c1cccc2c1OC[C@@H](NC(=O)OCc1ccccc1)C2 536954500 VJOSHMHQWJDSQJ-AWEZNQCLSA-N 362.407 1.564 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cn2cccc(C)c2n1 264600807 DMTIODWQZCSFER-HNNXBMFYSA-N 364.471 1.463 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C[C@H](O)c3cccs3)CC2)no1 85436943 YKFXGIHEOGXHMN-ZDUSSCGKSA-N 350.444 1.334 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1nccc(C2CC2)n1 530157534 SPXUDERPTFMSKY-UHFFFAOYSA-N 367.452 1.867 0 40 FDAB Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1cnn([C@@H]2CCOC2)c1C 451097751 FHFUEVAPVGJLLR-GFCCVEGCSA-N 365.411 1.960 0 40 FDAB CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NC[C@@H]1CCCN1C 637533193 WEKLESBROHXJQB-RYQLBKOJSA-N 362.522 1.539 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](C)[C@H](CN)C2)cc(S(=O)(=O)N(C)C)c1C 638885189 HNRCIXWTOYKGLG-IUODEOHRSA-N 353.488 1.221 0 40 FDAB COCCOC1CCC(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CC1 640868385 FUUDVUNMRLTXEM-WCUWXVSDSA-N 354.491 1.312 0 40 FDAB COc1ccc(N2CCN(C(=O)Nc3cnc4c(c3)COCC4)CC2)nc1 652839976 LOQGAFHETGQNKG-UHFFFAOYSA-N 369.425 1.912 0 40 FDAB Cn1c(C(F)(F)F)nn(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 90591318 AUEHBQVOTXEYBV-UHFFFAOYSA-N 358.276 1.011 0 40 FDAB C[C@@H](C(=O)N1CCOc2cccc(F)c2C1)n1cnc2c(N)ncnc21 614529160 WOXICWDPUGUFMH-JTQLQIEISA-N 356.361 1.530 0 40 FDAB CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(N)=O 299817140 GAXQKKYBSIFRJX-KVULBXGLSA-N 372.469 1.827 0 40 FDAB in-vitro O=C(c1ccc(O)nc1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831316 RFDYQYSJVLAQLS-UHFFFAOYSA-N 357.395 1.431 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]12 585108443 LGBLXBJFURFREC-OAGGEKHMSA-N 370.384 1.270 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 104225447 QZTJICFPDRZOHI-VXGBXAGGSA-N 360.414 1.458 0 40 FDAB CN(C(=O)[C@H]1COc2ccccc2C1)C1CN(c2cc3c(nn2)CCC3)C1 585590228 LFHWMWXVEWDMCK-MRXNPFEDSA-N 364.449 1.864 0 40 FDAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 5248585 LHMHDOPIYYXELT-QOBDMFJFSA-N 353.758 1.950 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 12225272 NKWYMEXWUQOCGF-UHFFFAOYSA-N 354.410 1.526 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2cccc(F)c2)n1 12735371 VGOMNTSHQGJAJC-UHFFFAOYSA-N 369.400 1.716 0 40 FDAB CN(C)c1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1 16887226 VXLOYNATVHAFHB-UHFFFAOYSA-N 369.385 1.560 0 40 FDAB Cc1ccc(-c2nc(C3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)no2)cn1 19215038 WZIHQZYNLSBXAQ-AWEZNQCLSA-N 355.398 1.425 0 40 FDAB CC[C@H](CN1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 19500376 MRRLWDMPGPPKDE-OAHLLOKOSA-N 372.469 1.186 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1 19577710 GKHJVCCMQUWCCZ-QGZVFWFLSA-N 361.490 1.128 0 40 FDAB CN1CCc2c(O)nc(C3CCN(C(=O)c4ccccn4)CC3)nc2C1 19590749 DQPMMFFBFQRJCY-UHFFFAOYSA-N 353.426 1.585 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@@H](C)O 19696607 OKTWZDJFSCFDDX-VLIAUNLRSA-N 371.437 1.762 0 40 FDAB Cn1nnnc1SCC(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575610225 FQFGSSPXGGEEIM-SECBINFHSA-N 354.823 1.031 0 40 FDAB Cc1nc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)cc(C(F)(F)F)n1 1888888510 OANHZAFPKXUGRL-NSHDSACASA-N 359.396 1.839 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccn3)C2)cc1 238895425 QZKWOBLCWWJSIX-AWEZNQCLSA-N 362.407 1.710 0 40 FDAB O=C(c1cnccn1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839733 BWBGGDCJFHJBIF-GOSISDBHSA-N 356.357 1.264 0 40 FDAB CCC(CC)NC(=O)c1nnc2n1C[C@]1(CCN(C(=O)CCF)C1)OC2 1614940491 OXFJXVIQMGFRLO-QGZVFWFLSA-N 367.425 1.057 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4nc(C)no4)CC3)ncn2)n1 2087143990 IGJMSORPPUGARB-UHFFFAOYSA-N 354.418 1.293 0 40 FDAB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cc(C)[nH]n3)CC[C@@H]12 1565551227 NWAGDSFTUKJCPI-NXHRZFHOSA-N 364.490 1.440 0 40 FDAB c1ccc2c(c1)nnn2CNc1nonc1NCn1nnc2ccccc21 1097236 APTPWVCMUKHGJC-UHFFFAOYSA-N 362.357 1.698 0 40 FDAB CCOc1cccc2cc(C(=O)NCCn3ncccc3=O)c(=O)oc12 11856220 ASSIGKZVMVAAAE-UHFFFAOYSA-N 355.350 1.178 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)OC)n2)CC1 12440425 SBQGECVINFBNOC-UHFFFAOYSA-N 370.431 1.601 0 40 FDAB C[C@H]1CN(C(=O)Cn2cc(SCC(N)=O)c3ccccc32)C[C@@H](C)O1 17246429 WZNUPPWHWGAVIR-BETUJISGSA-N 361.467 1.855 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(C(=O)CCF)C2)C1 2055835108 XLTYGROOIRJLIS-SFHVURJKSA-N 362.405 1.537 0 40 FDAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ccncc2Cl)CC1 585500675 MQVCRRXXLHPORI-UHFFFAOYSA-N 371.832 1.789 0 40 FDAB COc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1Cl 11465756 LVIAYGMPSSSHBK-UHFFFAOYSA-N 361.789 1.821 0 40 FDAB Cn1c(Br)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 1092252 FHZCAQWGDHMVJN-UHFFFAOYSA-N 363.215 1.439 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1 3434401 HVINRAZKSLMQFV-UHFFFAOYSA-N 355.366 1.976 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O 4477161 LZNQCIUNSRKOLP-GOSISDBHSA-N 360.414 1.468 0 40 FDAB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccnc3)C1=O)OCO2 6951962 RAFDTFMATRWYLH-LFYBBSHMSA-N 367.317 1.485 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 7063382 QRIYNEKUJMBCJT-UHFFFAOYSA-N 362.407 1.960 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2NC1=O 29770514 NOAKWGAUYSVCHA-SNVBAGLBSA-N 353.334 1.953 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(Cl)cc(Cl)c1 59387542 CBWJZIFAGSWTJH-ZDUSSCGKSA-N 365.282 1.729 0 40 FDAB O=C(CNC(=O)NC1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1=O 89834906 XEGCFFYVTCPYQC-QGZVFWFLSA-N 372.469 1.536 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)N1CCc2[nH]c3ccccc3c2C1 22377327 XKRUBWQZTWTIMK-UHFFFAOYSA-N 351.366 1.282 0 40 FDAB CCCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100641859 VSTWONBZLQHALN-XYNYFCMSSA-N 360.439 1.625 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cc(F)cc(F)c1 22931519 BHRHBOZMSYBOHM-UHFFFAOYSA-N 366.412 1.143 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1nncn1C 47472328 PYNSFEJMCNHTIN-CQSZACIVSA-N 357.414 1.135 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)no1 104673130 HYQRRAWVOOGHAY-CYDGBPFRSA-N 374.397 1.537 0 40 FDAB COc1cc(S(N)(=O)=O)ccc1N(C)S(=O)(=O)c1ccccc1 26919831 XYERMUWLRRWPNJ-UHFFFAOYSA-N 356.425 1.168 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1 12521406 GFHNRWPIPDKBQM-UHFFFAOYSA-N 374.415 1.582 0 40 FDAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cccc(O)c2)N1)OCCCO4 12549785 SGXLUTCEWKVWSS-INIZCTEOSA-N 351.366 2.000 0 40 FDAB CC(C)c1nc2cc(NC(=O)C3CCN(S(N)(=O)=O)CC3)ccc2o1 25302368 SXDOREQXWQNDNT-UHFFFAOYSA-N 366.443 1.805 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)cc12 27094799 LZQMXVCMEJFTOX-INIZCTEOSA-N 362.397 1.686 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(Cn3cncn3)cc2)n1 58172629 CAFQXUHPNITZDU-UHFFFAOYSA-N 364.409 1.788 0 40 FDAB O=S(=O)(C[C@@H]1CCCO1)N(CCO)c1ccc(Br)cc1 177499010 PAZUIFSUPGYTRV-ZDUSSCGKSA-N 364.261 1.757 0 40 FDAB CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 10968065 DAJNIFCBOAVGRW-UHFFFAOYSA-N 352.398 1.467 0 40 FDAB CCOC(=O)c1cccnc1N1CCN(c2ncnc3c2cnn3C)CC1 48314483 WXYYUJKOYCOIER-UHFFFAOYSA-N 367.413 1.262 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 16962552 JUCWKOHWXYPOGW-OAHLLOKOSA-N 367.471 1.531 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12930134 AEWDQMOOPLXLNW-LBPRGKRZSA-N 370.409 1.752 0 40 FDAB CNC(=O)c1cccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 12915387 SFVYQMSPVBFWEX-UHFFFAOYSA-N 353.300 1.865 0 40 FDAB CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1N 3886655 XBBSXSCHUVOSOX-UHFFFAOYSA-N 357.476 1.517 0 40 FDAB CN1[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)c2ccccc2S1(=O)=O 9048271 LTFTYGGDCIIJQM-RDTXWAMCSA-N 361.419 1.737 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1C(N)=O 63499430 RGCQMTQPIQQULL-MAZHCROVSA-N 359.426 1.530 0 40 FDAB COc1ccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCO)cc1 13721057 AYZGIGRCSQRVQE-FUHWJXTLSA-N 363.435 1.337 0 40 FDAB COC(=O)CNC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 5254944 PVLPZTDABPBUMZ-UHFFFAOYSA-N 355.441 1.124 0 40 FDAB O=C([C@H]1COc2ccccc2O1)N1CCN(C[C@@H](O)c2ccco2)CC1 27197653 PMXGOKFZMAOZJR-RDTXWAMCSA-N 358.394 1.297 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc3nccnc3c2)CC1 5420444 XJJFUDBROCVRDE-UHFFFAOYSA-N 372.381 1.087 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3CS2(=O)=O)[C@@H]1C 69929502 AHYKESFVVARNCQ-IOASZLSFSA-N 364.467 1.913 0 40 FDAB C[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1nnc2ccccc2c1=O 61717654 IHEFMDHYYOYHJI-KSSFIOAISA-N 364.405 1.953 0 40 FDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)NC[C@@H]1CCCO1 6785037 WGNUCNPRFXFDAF-LBPRGKRZSA-N 365.434 1.109 0 40 FDAB COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)c3ccc(F)cc3)[C@@H]2C1=O 6762541 LFDVKZGTDCDSIB-GOEBONIOSA-N 367.336 1.534 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)C(N)=O 5872731 POMXXXAZGFVLJM-SNVBAGLBSA-N 365.411 1.198 0 40 FDAB C[C@@H]1CN(C(=O)COc2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 6999900 FWCOCRYJCVZLFT-ZIAGYGMSSA-N 367.409 1.830 0 40 FDAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)nc1N 7185706 HQYDYYGUVWEAPO-MRVPVSSYSA-N 369.447 1.340 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 408592103 NWGFRPDDUNMSKG-UHFFFAOYSA-N 356.444 1.049 0 40 FDAB CC(C)c1[nH]nc(C(=O)N(CCN(C)C)CCN(C)C)c1Br 68423582 MDQNCOYJOUEPNG-UHFFFAOYSA-N 374.327 1.861 0 40 FDAB Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cn1 81088808 CSEFCJBPWAQREG-QGZVFWFLSA-N 368.437 1.690 0 40 FDAB O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCN2C(=O)NC[C@@H]2C1 96012446 DWKZEELUYUNFQI-CYBMUJFWSA-N 360.414 1.728 0 40 FDAB Cc1[nH]c(C(=O)OCC(=O)N2CCCC2=O)c(C)c1C(=O)OC(C)C 9740085 GWBFRIVIFAAXPY-UHFFFAOYSA-N 350.371 1.503 0 40 FDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(CO)oc2C)cc1 9316426 YVHXGZXHQNTPGR-UHFFFAOYSA-N 362.338 1.594 0 40 FDAB CCc1nc2c(c(OCCOC)n1)CCN(C(=O)c1ccccn1)CC2 306142739 XIBGEPKHXXJCAB-UHFFFAOYSA-N 356.426 1.700 0 40 FDAB Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CC[C@@H](O)C3)nc2c1=O 72432165 PNMLNPAEMSHSOC-CYBMUJFWSA-N 356.357 1.046 0 40 FDAB CSC[C@@H](CCO)Nc1ncc(C)c(N[C@H](CCO)CSC)n1 95409763 KQMGKWQYDRVZFE-CHWSQXEVSA-N 360.549 1.837 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl 95956543 PCEAXPLDEKZPJJ-GFCCVEGCSA-N 359.835 1.192 0 40 FDAB COc1cc2c(cc1OC)[C@H](NC(=O)COc1c[nH]c(C)cc1=O)CC2 524732220 OMZWMJBLPTWGRJ-CQSZACIVSA-N 358.394 1.883 0 40 FDAB biogenic O=C(CNCCN1CCOCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 35311544 DFKQAFJABQHQDA-UHFFFAOYSA-N 374.485 1.173 0 40 FDAB C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C)C(=O)N(C)C 40121211 NQPCDRJGBJJPNF-BDAKNGLRSA-N 361.211 1.948 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCC1CCOCC1 85875148 YOOSJKYCFYHPIT-KRWDZBQOSA-N 373.453 1.473 0 40 FDAB biogenic O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCN(c2cnccn2)CC1 48235625 JJTQPNHPWAYSNP-INIZCTEOSA-N 365.437 1.716 0 40 FDAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96219904 JOMBLUPIKVPMBE-PXNSSMCTSA-N 354.454 1.926 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@@H](Oc1ncccc1F)CO2 96107042 ZFZOTXGJRDOEQZ-CYBMUJFWSA-N 358.373 1.853 0 40 FDAB O=C(c1cscn1)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 96107731 AIESTUPAXJJFCZ-PBHICJAKSA-N 351.472 1.629 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cscn3)C2)O1 96063361 MEVOUWPEWYMQOU-RHSMWYFYSA-N 353.488 1.874 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@@H]21 96043475 RNUKOASLBRUGNO-BRWVUGGUSA-N 353.426 1.419 0 40 FDAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(S(=O)(=O)N(C)C)CC2 247920764 CFHDWCARKKEYDJ-HNNXBMFYSA-N 371.503 1.246 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1n[nH]c2c1CCCC2 257334370 YFPRHYBXHNURGK-AWEZNQCLSA-N 355.442 1.861 0 40 FDAB Cc1ccnc([C@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1 257296961 RFEWJJDXYSUYRF-OAHLLOKOSA-N 350.382 1.579 0 40 FDAB C[C@H]1COC(=O)N1c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257286629 PMHLZNCMYPTIMA-NSHDSACASA-N 354.432 1.036 0 40 FDAB CCn1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)c(C)n1 257293585 QQGABBWUSQLYLM-IBGZPJMESA-N 357.458 1.710 0 40 FDAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(CCCc3ccccc3)C1)C2 257256121 KKEDNZJXGJQVDF-IBGZPJMESA-N 355.442 1.280 0 40 FDAB Cc1cc(Nc2cc(C[C@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257206815 BEZFUNUCDCJPHD-CYBMUJFWSA-N 364.475 1.774 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382677 YSLJQLQPMXLTHZ-NCXUSEDFSA-N 354.454 1.439 0 40 FDAB biogenic,in-vitro Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2ncnn2C(C)(C)C)cn1 283170919 NGMOVFFIZKYEMG-DZGCQCFKSA-N 361.450 1.486 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccc(F)cc2)CC1 670416085 IVRAXYUMEVPSNO-CQSZACIVSA-N 371.416 1.937 0 40 FDAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC1CC(F)(F)C1)C2 671213103 SEFUECJTLBXLIE-UHFFFAOYSA-N 373.425 1.802 0 40 FDAB O=C(O)c1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cn1 642221792 ZJKRWZIXGWDBJO-UHFFFAOYSA-N 359.304 1.311 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)COc1ccc2ccccc2c1 643954409 WACLDRHWDICYDQ-FQEVSTJZSA-N 356.422 1.972 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1 644003528 LSFVHZOPYLVBSH-KRWDZBQOSA-N 352.381 1.615 0 40 FDAB CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 575404875 FDEUKMKAOLLRLH-QGZVFWFLSA-N 362.474 1.890 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)Nc2cccc3c2OCCC3)C1 585088672 ZEKPQUJGZMCHQV-LJQANCHMSA-N 361.442 1.849 0 40 FDAB CS(=O)(=O)CCN1C[C@]2(CCCN(CC3CC(F)(F)C3)C2)C1=O 585099318 CUTMYJQXLRSWFB-CQSZACIVSA-N 350.431 1.001 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cnccn1 585096433 NGUGSEWLLRWWFA-LBPRGKRZSA-N 366.381 1.413 0 40 FDAB COC[C@@]1(CC(=O)NCc2cccc(F)c2F)CN(C(C)=O)CCO1 585281341 WHCKBNWNTMDBKC-QGZVFWFLSA-N 356.369 1.235 0 40 FDAB Cc1nnc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 1338099888 DNGGONXRXFRLBV-UHFFFAOYSA-N 370.364 1.630 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)SC)CC2)c(OC)c1 56027176 VKBQUGZRESYZKH-GFCCVEGCSA-N 352.456 1.740 0 40 FDAB C[C@@H](C(=O)N(C)CC(=O)NCCOc1cccc(Cl)c1)n1cccn1 54658367 CMANKPQXOIIXPQ-ZDUSSCGKSA-N 364.833 1.751 0 40 FDAB CN1C[C@@H](C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1=O 90678670 IESQHIATVMSOAE-ZDUSSCGKSA-N 354.410 1.478 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccc(F)c(F)c1 1549161029 JESKTCNBENXXNA-GVDBMIGSSA-N 350.369 1.352 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cccc(OC)c2OC)N(C)C1=S 8091449 BRGFEUMSHVRGGZ-FLIBITNWSA-N 350.396 1.277 0 40 FDAB CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N4CCOCC4)n3)C2)on1 12367278 DOANFPSYKYXQOP-LBPRGKRZSA-N 373.413 1.199 0 40 FDAB COc1ncc(C(=O)N2CC[C@H](c3cc(O)n4nc(C)cc4n3)C2)cn1 13226862 FMPGXTSMVBQHHR-NSHDSACASA-N 354.370 1.172 0 40 FDAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(F)c1 13577197 OKOBURQTIGWXHJ-DRMAHVMPSA-N 366.385 1.992 0 40 FDAB O=C(CSc1nncs1)NCC1(N2CCOCC2)CCCCC1 14640352 KZEINVHXXRPXID-UHFFFAOYSA-N 356.517 1.782 0 40 FDAB CCc1nc2[nH]c(CSc3nnnn3-c3ccccc3)cc(=O)n2n1 17073287 VHDVXHNWBFCFFJ-UHFFFAOYSA-N 354.399 1.248 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 17073932 MFKPYASVZNUPKO-FZKCQIBNSA-N 358.394 1.673 0 40 FDAB COc1cc(C)ccc1OCC(=O)N1CCC(O)(Cn2ccnc2C)CC1 19134174 UENLFDFIPGASPR-UHFFFAOYSA-N 373.453 1.941 0 40 FDAB CN1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19590172 LKMOLOHEROWXEQ-VYMYIBDJSA-N 355.482 1.895 0 40 FDAB CCn1nc(C(=O)NCc2nnc3n2CCCCC3)c2ccccc2c1=O 19717027 ZPWCJAWDSLOHTE-UHFFFAOYSA-N 366.425 1.664 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)N[C@H]1CCN(Cc2ccsc2)C1 618256872 NJSWTIIDGOMKJO-HNNXBMFYSA-N 358.467 1.573 0 40 FDAB CN1CCC[C@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)C1 575615385 DPRYXRQYWGRYKN-ZDUSSCGKSA-N 365.861 1.519 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@@H]4C3)nn12 1888881999 JXDDJALAYZDIKE-STQMWFEESA-N 367.388 1.175 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cscn5)C[C@H]4C3)nn12 1888904142 AQQDPCKDRRPHAG-TXEJJXNPSA-N 369.454 1.352 0 40 FDAB CN(C(=O)[C@H]1CCOC1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1776007916 MBUXGVRTSHIEDB-AWEZNQCLSA-N 356.401 1.966 0 40 FDAB CC(C)n1[nH]c(=O)c2c(-c3ccc4c(c3)OCO4)c3c(nc21)[nH]c(=O)n3C 85412512 YQMGXXNLBOWDTR-UHFFFAOYSA-N 367.365 1.881 0 40 FDAB CCCc1cc(O)nc2nnc(SCC(=O)NC[C@H]3CCCO3)n12 4250220 MQLVIDTXVVENME-LLVKDONJSA-N 351.432 1.170 0 40 FDAB O=C(NCCc1ccccc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708575 ICQUMHDFHVVWPM-UHFFFAOYSA-N 363.417 1.819 0 40 FDAB Cc1cccc(NCCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049362 CWHVVRVTZBRNTG-UHFFFAOYSA-N 366.425 1.795 0 40 FDAB COc1cc(OC)nc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298194490 SCRDLYOJBDEXAE-LBPRGKRZSA-N 370.400 1.968 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2C 49506814 WUIUPNNDWBDNJL-UHFFFAOYSA-N 366.420 1.854 0 40 FDAB COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c1C 5061372 QUGJQHPXPDKQSU-UHFFFAOYSA-N 372.421 1.907 0 40 FDAB NC(=O)c1ccc(-c2nnn(C[C@@H](O)COc3ccccc3F)n2)cc1 40050229 IEXZOTRKLWFWNY-CYBMUJFWSA-N 357.345 1.018 0 40 FDAB O=C1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O 31692037 OMLLERHUYHEAKL-UHFFFAOYSA-N 350.172 1.308 0 40 FDAB CC(=O)N1CCC(NC(=O)CCn2cnc3c(C)cccc3c2=O)CC1 45870705 JSPXXGPFYSCREQ-UHFFFAOYSA-N 356.426 1.222 0 40 FDAB Cc1nc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 8133458 HDFPELQVEWDRJZ-GFCCVEGCSA-N 365.480 1.676 0 40 FDAB Cc1ccc2cc3c(N)c(C(=O)Nc4c[nH]c(=O)[nH]c4=O)sc3nc2c1 4848758 NKOMXMDZSQXCKM-UHFFFAOYSA-N 367.390 1.969 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)c1 29631218 BJVKOAYIFFSUFD-UHFFFAOYSA-N 368.499 1.951 0 40 FDAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCCCC1 21897401 GHUUKPGHNWLADK-HNNXBMFYSA-N 352.456 1.770 0 40 FDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1nnnn1-c1ccccc1 58227258 CZQDDEPHFZJBPK-UHFFFAOYSA-N 371.364 1.001 0 40 FDAB O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090320 OLCYWESCEJGWBV-UHFFFAOYSA-N 370.434 1.710 0 40 FDAB CC(C)N1C[C@H](C(=O)NCCc2cc(F)cc3c2OCOC3)CC1=O 52901450 MBHOXOVTBGAXJU-CYBMUJFWSA-N 350.390 1.608 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O 12291677 SSICLJLOGUOCHS-GFCCVEGCSA-N 353.378 1.799 0 40 FDAB COc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 27980219 CNUURADQWCPLQX-GFCCVEGCSA-N 365.407 1.784 0 40 FDAB COc1ncnc(OC)c1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC(C)C 57531514 XWUHSUNHNSSVPZ-GFCCVEGCSA-N 366.443 1.486 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 44455852 XYPGGEKBEYBVCJ-UHFFFAOYSA-N 369.365 1.371 0 40 FDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108779397 SQAAHQTXNPSXIL-HYVNUMGLSA-N 357.454 1.651 0 40 FDAB O=C(OCCn1ccccc1=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O 58005095 MNBGXIOMNQROCB-OAHLLOKOSA-N 362.332 1.723 0 40 FDAB CCOCCCNCC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 58124320 GWEZBRPXPFGYCP-KRWDZBQOSA-N 361.442 1.874 0 40 FDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 10163925 FVOFZHYYIDVYLS-UHFFFAOYSA-N 370.434 1.795 0 40 FDAB CCC(=O)N[C@@H]1CCCN(C(=O)CCn2c(=O)n(CC)c3ccccc32)C1 58332348 MKEVNXYUAAWPPA-OAHLLOKOSA-N 372.469 1.730 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)N[C@H]1CCCc2ccccc21 3338358 DSJNUKBIGLZIJD-KSSFIOAISA-N 359.451 1.608 0 40 FDAB NC(=O)[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 28368881 MEBWHKCXJHQULI-HNNXBMFYSA-N 367.858 1.435 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 36407979 LKWBKMUMCLXSLF-UHFFFAOYSA-N 358.398 1.394 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc[nH]c1=O 48356047 VMKUKJAAGYKXMC-UHFFFAOYSA-N 361.423 1.089 0 40 FDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cn1nnc2ccccc2c1=O 8327712 IPTLPEAXQCDNMT-LJQANCHMSA-N 361.361 1.143 0 40 FDAB CSCC[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 49550306 NZZLNJQNEXFTBV-NSHDSACASA-N 367.452 1.294 0 40 FDAB CCc1ncc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)s1 65041933 SWWYHOPMMDULOX-UHFFFAOYSA-N 356.425 1.841 0 40 FDAB COc1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 5216524 NXYNGJQIJFUUPV-HNNXBMFYSA-N 357.362 1.808 0 40 FDAB C[C@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 14198051 UICBCCGRRGHDCJ-TXEJJXNPSA-N 359.423 1.050 0 40 FDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 6673239 WFPGTKLAKHGNFL-KGLIPLIRSA-N 356.469 1.416 0 40 FDAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 8706279 VEEHMKICKLBGSW-BXKDBHETSA-N 359.430 1.887 0 40 FDAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)NCc1ccc2c(c1)OCO2 8883306 UADBVMVZIYNHBR-GFCCVEGCSA-N 367.365 1.475 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccs1 7414766 SXHLIFZRGCGDKU-UHFFFAOYSA-N 364.448 1.951 0 40 FDAB CC(C)c1noc(CCNC(=O)Cc2csc(N3CCCC3=O)n2)n1 68161452 VUZOFCWIXYCRIY-UHFFFAOYSA-N 363.443 1.678 0 40 FDAB CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 68251483 LNBUALNGKGCXHP-QGZVFWFLSA-N 372.469 1.094 0 40 FDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC(=O)c2cccn2C)c1 7777399 RPLLXLPYFXWGGY-UHFFFAOYSA-N 370.438 1.666 0 40 FDAB CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CCOCC2)CC1 81034302 LEDBRNMBHATKFZ-KRWDZBQOSA-N 365.518 1.737 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2c(C)noc2N)cc1 16326872 YNKKFVKUYMXJLL-UHFFFAOYSA-N 374.397 1.843 0 40 FDAB CC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(CC(F)(F)F)C1=O 9533123 CAGDMCWZUGDUBC-UHFFFAOYSA-N 371.271 1.181 0 40 FDAB Cn1ncc(C(=O)NC[C@@H](CO)Cc2ccccc2F)c1-n1cccc1 72303095 PEXQYLCHZSAUBW-AWEZNQCLSA-N 356.401 1.931 0 40 FDAB CC(C)CN1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 84678068 PUMIZIYLDDSIAN-INIZCTEOSA-N 371.485 1.515 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCC[C@H](C)CO)cc(C3CC3)nc21 95444078 NLFRGXDSUJOEPH-NSHDSACASA-N 374.441 1.121 0 40 FDAB COc1ccccc1CN1Cc2cncn2[C@H](C(=O)N2CC(F)(F)C2)C1 306124357 BNLJOIWGURNLRU-HNNXBMFYSA-N 362.380 1.926 0 40 FDAB Cc1nc(CCNS(=O)(=O)Cc2cccc(F)c2)sc1C(=O)O 548532794 MXQJNCPWXQYFSK-UHFFFAOYSA-N 358.416 1.951 0 40 FDAB COCCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217602081 LWXONCPFRNWNJQ-LBPRGKRZSA-N 372.443 1.291 0 40 FDAB COc1cccc(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)c1OC 527587569 NNBRYYNODRQHRT-CVEARBPZSA-N 358.442 1.447 0 40 FDAB O=C1N[C@@H]2CCCN(C2)C(=O)C2(CC=CCOc3ccccc31)CNC2 1536221877 NRGASQJBFBNRBW-OAHLLOKOSA-N 355.438 1.336 0 40 FDAB CCn1cncc1CN1[C@H]2CC[C@@H]1c1cnc(N3CCC[C@H](O)C3)nc1C2 72327884 HKSNBILZYHGOJZ-URLQWDBASA-N 368.485 1.916 0 40 FDAB O=C(O)[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218500589 YIGHDHVYLNNDSZ-HLLBOEOZSA-N 350.367 1.829 0 40 FDAB CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(F)ccc1OC 39986300 KLPBZKKJSOEAKG-UHFFFAOYSA-N 358.435 1.904 0 40 FDAB CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)cc1 223759621 GLXSPIDWYIEANM-LBPRGKRZSA-N 370.456 1.935 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)c1 226056862 IHVSIJYVEXRODQ-UHFFFAOYSA-N 358.460 1.487 0 40 FDAB C[C@@H]1CN(C)C[C@H](c2nc(CCn3cnc4ccccc4c3=O)no2)O1 527545205 RLVROQNFBLIAAX-IUODEOHRSA-N 355.398 1.414 0 40 FDAB CCCC[Sn]1(CCCC)OC(=O)C[C@@H](O)C(=O)O1 196003966 GGSRTHRSSCWGGK-QYUNTSNKSA-L 365.014 1.880 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 40087050 MQLSTGOVPDUNSR-FQEVSTJZSA-N 372.513 1.321 0 40 FDAB CN(Cc1cccnc1)[C@H]1COC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 96220924 JKCGNDHIVYKROM-QZTJIDSGSA-N 359.470 1.843 0 40 FDAB CN(C)CCCn1cnc2cc(NC(=O)c3ccc4nnnn4c3)ccc21 96232550 DKAAUZAWTMRYBV-UHFFFAOYSA-N 364.413 1.678 0 40 FDAB COCC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111679 OIDVCMJAXOIRLR-RDJZCZTQSA-N 367.405 1.623 0 40 FDAB biogenic,in-vitro Cc1cccc(CN2CC3(CC[C@H](CNC(=O)c4cnccn4)CO3)C2)n1 247882473 RNWBBGYYXUWIFC-MRXNPFEDSA-N 367.453 1.591 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247361702 FBJSMOXXCHLLIN-KCSPJYCRSA-N 368.389 1.803 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1n[nH]c2c1CCCC2 257331843 XUMSCFXSWDGTJS-JFIYKMOQSA-N 356.426 1.774 0 40 FDAB CNc1cc([C@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)ccn1 257334302 YFIAHPXGULERLP-ZDUSSCGKSA-N 357.414 1.950 0 40 FDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257333206 YAQFLWSRGVQDTE-OAHLLOKOSA-N 358.446 1.346 0 40 FDAB Cc1cc(OCC(=O)NC2(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)CC2)no1 1775997170 BDTKAJWSWNACFF-SWLSCSKDSA-N 361.442 1.905 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4nncn4C4CC4)C3)nc2n1 599356677 SCJHAWJYEGMQDE-ZDUSSCGKSA-N 366.429 1.687 0 40 FDAB CCC[C@H](C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1)S(N)(=O)=O 618352718 UTYFMOBOCXBHGW-IAGOWNOFSA-N 367.515 1.219 0 40 FDAB Cn1ccc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)n1 585108294 TYXJLUCZOFMIHM-YTQUADARSA-N 370.453 1.580 0 40 FDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2=O)cn1 585100907 DSTOMVZECRNFKZ-SFHVURJKSA-N 357.389 1.614 0 40 FDAB Cc1ccn2cc(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)nc2c1 685943149 SCMVMCSHXDIZLX-GZBFAFLISA-N 354.414 1.056 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)CCNC(=O)c2ccoc2)ccn1 53397978 UOUTXLJSOODWGG-UHFFFAOYSA-N 353.382 1.605 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CSCCC(=O)N3)CC2)cc1 75171355 YUDYBYODTZULBG-MRXNPFEDSA-N 361.467 1.160 0 40 FDAB COc1ccc(C(=O)N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C(C)(C)C)nn2)cc1 1549161924 QRDVXXDBUMXNHU-ZMSDIMECSA-N 374.441 1.143 0 40 FDAB CCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C 12117083 FZEPKVWIWJCTOM-SNVBAGLBSA-N 350.400 1.732 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCCC2=O)cc1 12145685 JLHFCTFAUHAXIV-KRWDZBQOSA-N 368.437 1.997 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 19375855 CAMXWJKXSDWTFN-ZDUSSCGKSA-N 354.410 1.252 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccnc(N2CCCC2)n1 19591932 RALTWURLRJBJPR-HUUCEWRRSA-N 357.458 1.165 0 40 FDAB Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)c2ccccc2)n1 19695703 PKTSOQFBSYUONQ-UHFFFAOYSA-N 354.410 1.230 0 40 FDAB CNC(=O)c1cnc(C)nc1CCNC(=O)C(C)(C)c1cccc(F)c1 19697197 FRBQHAZUSVJIQU-UHFFFAOYSA-N 358.417 1.920 0 40 FDAB CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)C1 167202194 LPGDHADNJRYGSQ-SNVBAGLBSA-N 350.362 1.593 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225506462 VUEOPIYQPHXUSV-CQSZACIVSA-N 358.446 1.577 0 40 FDAB Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c12 5000985 SPKNGWSAUSHYHY-UHFFFAOYSA-N 360.370 1.643 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)nc2n1 3454808 VUGCAABLDTTYDA-UHFFFAOYSA-N 374.426 1.244 0 40 FDAB O=S1(=O)N=C(N2C[C@@H]3CN(c4ncc(F)cn4)C[C@H]3C2)c2ccccc21 1888879382 IWUDBCRXZXTACZ-VXGBXAGGSA-N 373.413 1.133 0 40 FDAB CCc1cccc2sc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc12 1889141236 AWJBIFQSSDYBLX-CQSZACIVSA-N 361.467 1.923 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)c2ccccc2C(N)=O)c1 28198383 HEIBGUXWLBAREI-UHFFFAOYSA-N 362.407 1.706 0 40 FDAB O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)C2CCCCC2)C1 1776008456 GGVSRFJWMXDNAD-UHFFFAOYSA-N 374.466 1.825 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2=O)cs1 1565554196 SZUPHDMKTVKKGR-YPMHNXCESA-N 355.410 1.914 0 40 FDAB Cc1noc(C)c1CCC(=O)N(C)C1CN(c2ccc3nnc(C)n3n2)C1 1565523143 GTIJHSGCPJPFRT-UHFFFAOYSA-N 369.429 1.317 0 40 FDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1565546995 LJOPXFZYSZNKIP-QFBILLFUSA-N 363.458 1.521 0 40 FDAB CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 646152 JWGIOQBIYOBZKA-CQSZACIVSA-N 350.465 2.000 0 40 FDAB OC1(O)[C@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@H]1COC2(CCCCC2)O1 4602324 XOOYXQMQBKMNDL-QPSCCSFWSA-N 356.415 1.544 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)NCCc2ccccc2)c1 5301978 NYSWLICRZDXLSH-UHFFFAOYSA-N 362.451 1.587 0 40 FDAB Cc1nc(C(=O)N[C@@H]2CCc3onc(C(=O)NCC4CC4)c3C2)cs1 2055745556 JRANBLGRLMPDJT-LLVKDONJSA-N 360.439 1.867 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n[nH]1 2055835556 GCUOEOKHRCXVRR-IBGZPJMESA-N 367.409 1.667 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)ncnc21 2086865035 CHVJBCSCLMCEBJ-GASCZTMLSA-N 364.457 1.826 0 40 FDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncnc3[nH]ccc23)C1 585605564 DIGCNUSFNXZLBK-UHFFFAOYSA-N 359.393 1.713 0 40 FDAB NC(=O)C1CCN(CCCNC(=O)c2cc3ccccc3oc2=O)CC1 40118831 NXOQDHMIMWXABU-UHFFFAOYSA-N 357.410 1.110 0 40 FDAB COCCN1CNC2=N[C@@H](c3ccco3)n3c(nc4ccccc43)N2C1 20101775 BIIVMPZRWMHYPC-MRXNPFEDSA-N 352.398 1.819 0 40 FDAB COc1cc([C@@H]2N=C(N)Nc3nc4ccccc4n32)ccc1OCC(=O)O 5800004 ZFMOTJKSLWNEAE-MRXNPFEDSA-N 367.365 1.795 0 40 FDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NCc1ccccc1 1985844 FSWSNCQWOVZYLW-GOSISDBHSA-N 366.417 1.895 0 40 FDAB O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6669513 UROUHZNCYQHZAL-BOSXTWCSSA-N 353.422 1.422 0 40 FDAB O=C(COc1ncnc2ccc(Br)cc12)N1CCOCC1 2642444 RKSXLUGPAQQALL-UHFFFAOYSA-N 352.188 1.630 0 40 FDAB COc1ccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)c(OC)c1OC 32753330 SCCRRNUYFRAEKB-NSHDSACASA-N 351.403 1.085 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC(OC[C@H]2CCCO2)CC1 81653918 QMVOHEBHTXLKOJ-QGZVFWFLSA-N 371.441 1.527 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)CC1 100751318 HXRHSLJLUNUJIR-GASCZTMLSA-N 374.485 1.850 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(C)c2)CC1 10112970 JAPOUJCVCDBTBM-UHFFFAOYSA-N 369.443 1.281 0 40 FDAB O=C(Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)NC1CC1 57731028 PUCJORFNGOMCNV-UHFFFAOYSA-N 373.416 1.914 0 40 FDAB COCCCNC(=O)CN(C)CC(=O)N(C)Cc1c(F)cccc1Cl 53141749 UCZBXECVCHNECF-UHFFFAOYSA-N 373.856 1.522 0 40 FDAB CCOC(=O)Cc1nnc2c(Nc3ccc(OC)cc3)nc3nonc3n12 675355 OVCKGWKIVMHOQT-UHFFFAOYSA-N 369.341 1.518 0 40 FDAB C[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)c1ccccc1 22389319 ZMSZTXGHHVFIKH-GFCCVEGCSA-N 350.378 1.373 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4n[nH]c5ccccc45)CC3)ncnc21 12507136 YKXCZLHARQFHBU-UHFFFAOYSA-N 362.397 1.202 0 40 FDAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207303 SCSIHQPULYPAGI-UHFFFAOYSA-N 362.451 1.974 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 56060972 BHYMUHOSQQVQFQ-MRXNPFEDSA-N 365.499 1.350 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 107336691 OJZUPDRDUYKPMB-MJVIPROJSA-N 357.453 1.331 0 40 FDAB COc1cc(C(=O)NC2CCCC2)c(N(C)S(C)(=O)=O)cc1OC 22251219 MGUFNCUDGBNVRF-UHFFFAOYSA-N 356.444 1.772 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)n(C)c1 12633298 SHPXNMZKTIVQPK-UHFFFAOYSA-N 350.444 1.381 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10230744 WDRXBLJVBJZCGB-GFCCVEGCSA-N 363.414 1.417 0 40 FDAB CC1CCC(C)(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 58227896 QWVJHZJFNSOQMO-JZLYGMAVSA-N 369.487 1.237 0 40 FDAB CC(C)(NCC(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)OCO2 58434927 ZDYKAVSGQFZBQV-UHFFFAOYSA-N 355.394 1.978 0 40 FDAB O=C(Cc1noc(C(=O)NCc2ccncc2)n1)Nc1ccc(F)cc1F 36358492 HCYXXGCLNTXECR-UHFFFAOYSA-N 373.319 1.854 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 12825100 GRCDQWIVKRYKPK-UHFFFAOYSA-N 362.407 1.927 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2N)C[C@H](C)O1 3439180 GYIHWFLEJUGUQN-QWRGUYRKSA-N 365.434 1.526 0 40 FDAB COc1ccccc1CNC(=O)COCC(=O)NCc1ccccc1OC 12996532 RPKMDXPERSJCJB-UHFFFAOYSA-N 372.421 1.653 0 40 FDAB CCOC(=O)c1cc(C)n(CC(=O)NCc2c(C)cc(C)[nH]c2=O)c1C 7118622 YNSYDGLALXCUTF-UHFFFAOYSA-N 359.426 1.903 0 40 FDAB O=C(NCCOCCO)c1nc(Cc2c(Cl)cccc2Cl)no1 49549834 ASAHISHRUBGXHS-UHFFFAOYSA-N 360.197 1.706 0 40 FDAB COc1ccccc1CNC(=O)CNC1=NS(=O)(=O)c2ccccc21 7305424 MLTHVBHSTHCYHE-UHFFFAOYSA-N 359.407 1.050 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccccc3[nH]2)cc1 13691309 XXOIDAZMMSTQHX-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB CC(C)CNC(=O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1 64628355 LKJHLVUVGMFLFL-UHFFFAOYSA-N 352.866 1.944 0 40 FDAB COc1ccc(OC)c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 6087037 IBXAGDADIRJQLS-UHFFFAOYSA-N 361.375 1.731 0 40 FDAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc2c(c1)OCCO2 5474407 UQBOZBZNGSFOSN-LBPRGKRZSA-N 367.365 1.840 0 40 FDAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1cc(C)on1 6539243 ALOIIAOJPGWJCV-UHFFFAOYSA-N 356.338 1.973 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1nnc2n1CCCCC2 14370458 XLSSKVGBHKVBTK-UHFFFAOYSA-N 366.425 1.142 0 40 FDAB COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 6673249 WFPGTKLAKHGNFL-UONOGXRCSA-N 356.469 1.416 0 40 FDAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC[C@H]1CCCO1 6719178 HIGWVNSRUNVRIY-QWHCGFSZSA-N 357.414 1.250 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 4813716 OGPPFBNXBNVDLK-BJMVGYQFSA-N 354.746 1.423 0 40 FDAB COCCCn1c(SCC(=O)Nc2ccccc2Cl)n[nH]c1=O 8718865 IDXHULTXRCIKLS-UHFFFAOYSA-N 356.835 1.992 0 40 FDAB COc1ccccc1CNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21 9304121 ULPBUIPULXQDTQ-MRXNPFEDSA-N 353.378 1.145 0 40 FDAB Cc1ccc2oc(N3CCN(C(=O)NCc4ccnn4C)CC3)nc2c1 112388296 WTBBEOBMOKHLCY-UHFFFAOYSA-N 354.414 1.902 0 40 FDAB COc1ccccc1OCCNC(=O)c1ccccc1-n1nnnc1C 72403965 WNVCHUBNUYFKTB-UHFFFAOYSA-N 353.382 1.788 0 40 FDAB Cc1cc(NC(=O)CNc2cc(C(=O)N3CCOCC3)ccc2C)no1 76714000 MLHBOZLIPSVOEO-UHFFFAOYSA-N 358.398 1.814 0 40 FDAB CNC(=O)c1cc(Br)ccc1NCC(=O)NCC(F)(F)F 95429768 LJDSKFXXOGXINC-UHFFFAOYSA-N 368.153 1.899 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 95944793 YGBQLFOTIBGKKU-GFCCVEGCSA-N 369.468 1.959 0 40 FDAB COC(=O)C[C@H](Cc1ccccc1)NS(=O)(=O)N1CCC[C@@H](C)C1 75093729 KJBBSIZXQKJDHZ-ZBFHGGJFSA-N 354.472 1.727 0 40 FDAB O=C(CN1CCOCC1)N1CCN(Cc2ccc(F)c3cccnc23)CC1 24680594 MHBXQBNVKZYNDE-UHFFFAOYSA-N 372.444 1.350 0 40 FDAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CC2)cc1 408710154 QHAZBBYEZHVATF-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB CCNC(=S)NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 408724383 DUUUGINLBGGASN-UHFFFAOYSA-N 364.523 1.663 0 40 FDAB O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524729238 KVCNDXZOZJNJOA-QIIPPGSGSA-N 365.437 1.945 0 40 FDAB biogenic CCOC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1N 65336689 HGHADKSHACHMDC-UHFFFAOYSA-N 363.370 1.825 0 40 FDAB COCc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)s1 44900521 RJHPZYLFNZRHOO-SNVBAGLBSA-N 361.383 1.413 0 40 FDAB CN1CCN(c2cc(=O)n(-c3cccc(Br)c3)c(=O)[nH]2)CC1 44019423 ZKVVJCXFGMBLGT-UHFFFAOYSA-N 365.231 1.040 0 40 FDAB O=C(Nc1ccc(NC(=O)c2cccc[n+]2[O-])cc1)c1cccc[n+]1[O-] 226864744 IFFQKPXSHARXGV-UHFFFAOYSA-N 350.334 1.458 0 40 FDAB CN(C)C(=O)CNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227159955 OVBDQXMOWWSRKX-UHFFFAOYSA-N 364.833 1.888 0 40 FDAB COc1ccc(O[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)nn1 225436187 STJUZRLQBCPNDH-GFCCVEGCSA-N 351.366 1.722 0 40 FDAB CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(C)C 225807948 GTYUVDJJXUZRDS-UHFFFAOYSA-N 371.528 1.939 0 40 FDAB CN1CCN(c2ncc(NC(=O)Cc3c[nH]c4ccccc34)cn2)CC1 224254732 CYFPPLKEDPRKBE-UHFFFAOYSA-N 350.426 1.891 0 40 FDAB COc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)cc1 96240608 NVLMBTYMZTYHOI-IEBWSBKVSA-N 358.442 1.594 0 40 FDAB O=C(CCc1nnc2ccccn2c1=O)NCCc1c[nH]c2ccccc12 96231590 QAHKGGZHAQMPKE-UHFFFAOYSA-N 361.405 1.862 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)o1 96219763 WZJHWJFFKXTQIH-CQSZACIVSA-N 356.444 1.149 0 40 FDAB O=C(c1ccc(F)cc1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255720 FNYYYLJBMLKDEG-UHFFFAOYSA-N 356.401 1.693 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C1CCN(c2ncnc3[nH]cnc23)CC1 95525412 DKCPYQNHWKTCFD-UHFFFAOYSA-N 354.462 1.804 0 40 FDAB CCCS(=O)(=O)NC[C@H]1OCCc2cn(Cc3ccccn3)nc21 96044466 IMGTWYFWEUIJFL-OAHLLOKOSA-N 350.444 1.270 0 40 FDAB COc1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c(F)c1 532258398 MNRHOIVXNLEZQD-UHFFFAOYSA-N 352.362 1.230 0 40 FDAB Cc1nc2ncccc2c(=O)n1CCNS(=O)(=O)c1ccc(F)cc1 95476028 MMGRXIOUNYSKIT-UHFFFAOYSA-N 362.386 1.218 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O 95474954 JHLGTXKPGMFGDY-OAHLLOKOSA-N 363.389 1.548 0 40 FDAB CCCn1nccc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257318840 VPPADNPVTTZQBS-CQSZACIVSA-N 363.487 1.964 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCC1)c1cccnc1 257323251 WJIOMWKCPYPISL-YRXWBPOGSA-N 368.437 1.252 0 40 FDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)CCc2ccnn2C)C1 257222195 DSIKSCVGBYRLEB-OAHLLOKOSA-N 356.474 1.690 0 40 FDAB COc1ccc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)c2ccccc12 257312645 UOYQWTLAYWLDTR-WOJBJXKFSA-N 358.438 1.282 0 40 FDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257217679 DABXQPLRUZKPRI-HNNXBMFYSA-N 351.414 1.558 0 40 FDAB COc1ncc(CN2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 257306972 SWTBTOYKXWIUKB-HNNXBMFYSA-N 353.426 1.824 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccccc1F 257236479 HCJQBULGHZTYBC-LBPRGKRZSA-N 353.375 1.166 0 40 FDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4nc(C)cc(O)n4)C3)cn2c1 257253625 JZPSVZSVIWDGSM-CQSZACIVSA-N 353.382 1.660 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)nc1 280161728 WZLGBHJGXUSNGM-GFCCVEGCSA-N 358.364 1.996 0 40 FDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959869 DBNPFTWWWIWUFX-NXEZZACHSA-N 356.352 1.298 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cn(-c3ccccc3)nc2C)C1 644037982 YXGLEBUZWYWUTQ-IBGZPJMESA-N 356.426 1.284 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1cc(Cl)cc2c1OCC2 644426245 CQSLMXSZYRUGMI-CQSZACIVSA-N 352.818 1.265 0 40 FDAB CCC(C)(C)N1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1 654564169 BTULYDNEOBWLOY-UHFFFAOYSA-N 368.503 1.350 0 40 FDAB Cc1oc2ccccc2c1CCNC(=O)N1CCN(c2nncn2C)CC1 654532864 CCSQYLDQHWNSAH-UHFFFAOYSA-N 368.441 1.944 0 40 FDAB CCc1nccn1[C@H]1CCCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 654639458 TXMKSMQVLIIGIS-KBPBESRZSA-N 373.461 1.962 0 40 FDAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)c1ccnc(F)c1)CC2 585110647 ROTDWCRKPNXCHZ-UHFFFAOYSA-N 371.416 1.532 0 40 FDAB COc1ccc(CNC(=O)C[C@]2(CO)CCCN2C(C)=O)c(OC)c1 585279086 CJEWKVBYBBTYKK-SFHVURJKSA-N 350.415 1.084 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)n1 585097418 LMNRQRHQGORTLD-INIZCTEOSA-N 355.442 1.333 0 40 FDAB O=C(NCc1cscn1)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 585101165 KXAJBHPMYIXXRP-INIZCTEOSA-N 358.427 1.365 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3ccc(OC)cc3)C2)CN1CC1CC1 585109524 VZFIGVOYVHGMDD-GOSISDBHSA-N 359.470 1.106 0 40 FDAB Cc1noc([C@@H]2CN(C3CN(CC4Cc5ccccc5C4)C3)CCO2)n1 685941102 RCIMFZLPRYXHLB-IBGZPJMESA-N 354.454 1.851 0 40 FDAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 96103406 LQBXIMHFZNLGCJ-CQSZACIVSA-N 362.455 1.695 0 40 FDAB NS(=O)(=O)[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 676076675 BNVDWCJCSKXVQT-CYBMUJFWSA-N 359.455 1.285 0 40 FDAB Cn1ccnc1[C@@H]1CN(c2ccnc3c2cnn3C)C[C@H]1NC(=O)C1CC1 1615547506 GIOAPOAAYLGDMU-HUUCEWRRSA-N 365.441 1.200 0 40 FDAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)C(C)C)C[C@H]23)n1 1549161984 LXJRNKYAJBGHBW-HNNXBMFYSA-N 373.457 1.443 0 40 FDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1ccc3c(c1)OCO3)CS2 14032057 VUUDYOPMEFQJPS-LBPRGKRZSA-N 359.407 1.634 0 40 FDAB Cc1cnc(NC(=O)CN2C[C@@H]3CCC[C@H](C2)C3N2CCOCC2)s1 19239307 GSJGFJLCLYBHQC-FKEKPDDDSA-N 364.515 1.823 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344340 ZPKLVCCITVAXRE-GFCCVEGCSA-N 370.438 1.496 0 40 FDAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19448301 QGPHAAMGFHQRSF-KRWDZBQOSA-N 367.453 1.909 0 40 FDAB Cc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(N)=O 19766633 KSAQQBGFKQGULQ-UHFFFAOYSA-N 372.400 1.808 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 19961137 FRYYNWLOWPJLNC-LBPRGKRZSA-N 353.382 1.435 0 40 FDAB C[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)c2C(N)=O)C1 4392486 HRXOFISPFTVCKS-UWVGGRQHSA-N 370.496 1.735 0 40 FDAB Fc1c(-c2ccccc2)ncnc1N1CCN(CCn2nccn2)CC1 1888888372 GLLYOAJCFRXEIL-UHFFFAOYSA-N 353.405 1.696 0 40 FDAB c1cc(N2CCCC2)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1889205352 NZNIJJVEXZRPOW-UHFFFAOYSA-N 351.418 1.070 0 40 FDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccc3c(c2)OCO3)CC1 2055772837 LLVMHTLSCZMDIX-UHFFFAOYSA-N 368.437 1.835 0 40 FDAB COCCN1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 2055815391 GCIBPCQHFFLZAQ-GOSISDBHSA-N 368.861 1.530 0 40 FDAB COc1ccc(CC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482945 RQJGEYRNFKVFFT-UHFFFAOYSA-N 351.366 1.704 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCc2cncc(-c3ccco3)c2)C1=O 575617993 GEAPMEZLWQGPNO-UHFFFAOYSA-N 364.383 1.248 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1=NCCS1 40039256 VGECRAAWVRXGLD-UHFFFAOYSA-N 358.349 1.521 0 40 FDAB COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H](O)c1ccccc1)C2=O 40059646 IUEIPPJRIMKXAK-AWEZNQCLSA-N 361.375 1.351 0 40 FDAB Cn1c(SCCn2nc3ccccn3c2=O)nc2sccc2c1=O 31842698 LNKARBGXLZJAOQ-UHFFFAOYSA-N 359.436 1.597 0 40 FDAB O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 45850034 AWCBDQIMWDKGPQ-CYBMUJFWSA-N 363.845 1.822 0 40 FDAB C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 842285 SULHMUQQEJHMIO-GFCCVEGCSA-N 374.466 1.529 0 40 FDAB CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 6953219 XFYXKFGNWTWRNB-UHFFFAOYSA-N 367.515 1.470 0 40 FDAB O=C(Nc1ccc2cn[nH]c2c1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11856971 JNLLABMAYNSIJN-UHFFFAOYSA-N 370.390 1.882 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102316074 RCVLABGKOOFMNS-GJZGRUSLSA-N 356.378 1.753 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412933 PMUVISBNUXBXPQ-VDQHWBOFSA-N 372.849 1.580 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1C 32905407 BAHQWYJTQPATSK-GOSISDBHSA-N 372.513 1.870 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Cl 102612551 UYDPARPIQSFIMZ-GBOPCIDUSA-N 364.785 1.221 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl 8064608 RQHSNJDZTBNUKK-GFCCVEGCSA-N 365.282 1.729 0 40 FDAB Cc1nn(CCC(=O)N2CCN3CCC[C@H]3C2)c(C)c1Br 2775006 LSNUEYDXMATKRC-ZDUSSCGKSA-N 355.280 1.959 0 40 FDAB O=C(Nc1cc(N2CCCC2=O)ccc1F)N[C@H]1CCN(C2CC2)C1=O 89769745 CNKDJHVZFWMQTO-AWEZNQCLSA-N 360.389 1.837 0 40 FDAB Cc1ccc(Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 845753 YXVGEWTYKCBBDC-UHFFFAOYSA-N 353.426 1.770 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C)n3)C2=O)cc1 12544180 VGZAUGSHVPNOBM-IBGZPJMESA-N 368.393 1.804 0 40 FDAB CN1CCN([C@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)CC1 26779978 YXLQXNFQHITSNL-QWRGUYRKSA-N 374.696 1.835 0 40 FDAB COc1ccccc1CCNC(=O)Cc1nn(C)c(=O)c2ccccc12 10031782 SCIMZLBBAHEZIU-UHFFFAOYSA-N 351.406 1.844 0 40 FDAB O=C(CNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)NC1CC1 58167449 UQVJCOBKWARYNG-HNNXBMFYSA-N 373.453 1.089 0 40 FDAB CCN(CC)[C@@H](C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 58210816 AQESWRPMAMQNKB-UONOGXRCSA-N 373.544 1.748 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58202473 HXYLCIFOVBNHJZ-CYBMUJFWSA-N 363.845 1.822 0 40 FDAB CCOC(=O)c1cccc(OC[C@H](O)CNC[C@H]2CCCN2CC)c1 22927352 OOCZRJFMQMCTMA-IAGOWNOFSA-N 350.459 1.677 0 40 FDAB Cc1cc(CN2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)on1 23417836 SHPHSBGPBFDPIY-UHFFFAOYSA-N 367.409 1.037 0 40 FDAB CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 36384067 CIUHWZTVLAKNGA-UHFFFAOYSA-N 355.393 1.589 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1 24999061 LNOPZYNJLKFJOF-CQSZACIVSA-N 360.410 1.414 0 40 FDAB CN1C(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(=O)C12CCCCC2 12945861 VUTVCTBNEBRDMS-UHFFFAOYSA-N 371.397 1.392 0 40 FDAB CCC(=O)c1ccc(OC[C@@H](O)Cn2nnn(-c3ccccc3)c2=O)cc1 12922126 KFCSDTZUPDKNMO-INIZCTEOSA-N 368.393 1.462 0 40 FDAB O=C(COc1cc2ccccc2cc1C(=O)O)N[C@@H]1CCS(=O)(=O)C1 13034682 ZBSZCXOQKARPIF-CYBMUJFWSA-N 363.391 1.220 0 40 FDAB CCN(CC)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13690497 YSKAVKAZSKVEON-UHFFFAOYSA-N 358.442 1.180 0 40 FDAB COc1cccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 8657306 SWJFIVCLVBIQOO-UHFFFAOYSA-N 353.382 1.301 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H]1CCS(=O)(=O)C1 39998325 CTRZBYSDTUVEHC-XVJNWHFHSA-N 359.451 1.806 0 40 FDAB COCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348749 MBMMNTCGVZRGGO-QOIOWGMHSA-N 371.437 1.100 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N(Cc3ccccc3F)C3CC3)cnc21 14139804 YBNVEYHULQONNU-UHFFFAOYSA-N 355.373 1.460 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C[C@@H](C)O1 14128671 CHDVPXGEGKCDTQ-MNVSYLFESA-N 371.437 1.406 0 40 FDAB COc1cc(CC(=O)N2CCN(C(=O)C(C)C)CC2)cc(OC)c1OC 14241182 JGEXQSCHSXDKGQ-UHFFFAOYSA-N 364.442 1.582 0 40 FDAB C[C@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 6649333 XXGIPHVZICWDRB-LBPRGKRZSA-N 351.362 1.957 0 40 FDAB CCOc1ccc(-n2ccn(CC(=O)NCCC(C)C)c(=O)c2=O)cc1 67255956 KUMOCAOCRIEBCN-UHFFFAOYSA-N 359.426 1.560 0 40 FDAB CCCc1nnc(NC(=O)[C@@H](CC)Sc2nc(N)cc(N)n2)s1 8814434 RFXXVEVSJBWWTA-SSDOTTSWSA-N 353.477 1.954 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)C1=Cc2ccccc2OC1 7637948 RPUVWKBVAJLERO-UHFFFAOYSA-N 358.375 1.805 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cncc(Br)c1 9745606 HZXBTJAAHGYWJX-UHFFFAOYSA-N 367.203 1.744 0 40 FDAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(N)=O)cc1 9478602 IBCLYGPKMFTFGI-UHFFFAOYSA-N 358.354 1.576 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NCCNC(=O)c1nc2ccccc2s1 72400295 DLWCJBCFZZWQML-RYUDHWBXSA-N 361.423 1.499 0 40 FDAB CCCCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704503 OPRMQNWUWUJGCZ-CYBMUJFWSA-N 370.471 1.919 0 40 FDAB Cc1cc(N2Cc3ccnn3[C@H](CC(=O)N3CCCC3)C2)n2ncnc2n1 306143552 YFKFIFFYPFXJKF-OAHLLOKOSA-N 366.429 1.203 0 40 FDAB COc1cc2c(cc1OC)[C@H](NC(=O)COc1cn(C)c(C)cc1=O)CC2 524732279 DTUKWGCRKWRFPG-OAHLLOKOSA-N 372.421 1.893 0 40 FDAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 32815636 ACMSERWKASJTQH-UHFFFAOYSA-N 350.396 1.861 0 40 FDAB O=C(O)c1ccc(N2CCOCC2)c(S(=O)(=O)NC2CCCC2)c1 217445701 BWUDXYDZHLVFQW-UHFFFAOYSA-N 354.428 1.442 0 40 FDAB NC(=O)c1nnn(-c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)n1 70999370 OPXJAUBDAOFUKH-UHFFFAOYSA-N 372.385 1.631 0 40 FDAB CC(C)Cc1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)no1 72346949 JDEHWXLSALJPMM-UHFFFAOYSA-N 371.441 1.755 0 40 FDAB O=C1CCCN1CCCNCc1cc(-c2ccccc2)cn2nnnc12 72392323 VIPQSPCMQIWQPV-UHFFFAOYSA-N 350.426 1.893 0 40 FDAB O=C1CCC(=O)N1CCC(=O)N1CCc2cc(Br)ccc21 225873431 CHVQGUISYQVTDH-UHFFFAOYSA-N 351.200 1.877 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)c1nc(CC(=O)N2CCOCC2)no1 44920642 BIWJWTDGNAMGGE-CQSZACIVSA-N 372.425 1.222 0 40 FDAB Cc1ccc(/C=C/CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 84766370 JDEQBQNGDNYMPM-LSTKMXGYSA-N 371.481 1.448 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148903 XDPRCKHLOCPUTG-SGTLLEGYSA-N 365.389 1.778 0 40 FDAB CN1CCN([C@H](Cc2ccc(I)cc2)C(=O)O)CC1 225144902 NJFWJPWPZAFIJH-CYBMUJFWSA-N 374.222 1.534 0 40 FDAB COc1ccc([C@H](C)NC(=O)c2noc(-c3ccc[nH]c3=O)n2)cc1OC 96125544 KVSZVFAQDUVRLP-JTQLQIEISA-N 370.365 1.933 0 40 FDAB COCc1nc([C@H]2COCCN2C(=O)[C@@H]2CCCc3c(O)cccc32)no1 330012562 KTMDLDUBRNYZTR-HUUCEWRRSA-N 373.409 1.942 0 40 FDAB Cn1c(=O)n(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c2ccccc21 581535725 QNQAVZATJXWXHM-MAUKXSAKSA-N 351.406 1.675 0 40 FDAB COc1cccc(N[C@H]2COC3(CCN(S(=O)(=O)N(C)C)CC3)C2)c1 96221545 ITBIIEHWQHYSOL-OAHLLOKOSA-N 369.487 1.537 0 40 FDAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(Cc3ccc(C)s3)C[C@H]2C1 96184940 UYKJPGHRLUEEBX-GJZGRUSLSA-N 351.472 1.106 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@@H](O)C=C4[C@H](C2)N(C)CC[C@@]431 96316397 LQIKGKFOKAXCRM-YYTZKGGKSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1 96243567 OOGCRIGJNHHRJH-HNNXBMFYSA-N 360.458 1.426 0 40 FDAB Cc1nc(CN2CCNC(=O)C23CCN(C(=O)c2ccc[nH]2)CC3)cs1 96230212 DXJMDESBPAVEMJ-UHFFFAOYSA-N 373.482 1.386 0 40 FDAB CO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 580774875 BVAZQBILRZIBAD-ARFHVFGLSA-N 354.397 1.674 0 40 FDAB CC(=O)Nc1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)ccn1 257318039 VMFMFHTZBMGFRP-AWEZNQCLSA-N 355.398 1.654 0 40 FDAB COc1cc(CCC(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)on1 257242911 IERRDWJPCBXGGT-IIDMSEBBSA-N 351.447 1.500 0 40 FDAB COc1cc(CN2C[C@@H](NC(=O)C3CC3)[C@H](c3nccn3C)C2)sn1 1615554967 ZOMVGAJEOXBRNG-ZIAGYGMSSA-N 361.471 1.379 0 40 FDAB COc1cccc2c1CN(C(=O)NC1CCN(CC(=O)N(C)C)CC1)C2 623636065 BKBRCRDREJQBDH-UHFFFAOYSA-N 360.458 1.273 0 40 FDAB CC(C)(C)c1[nH]cnc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 631810016 PNQAYCNKBYBZKU-MRXNPFEDSA-N 356.470 1.856 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1cn(C)nc1C1CCCCC1)N(C)C2 644477698 XFIGYFZRUYEWTM-OAHLLOKOSA-N 357.462 1.820 0 40 FDAB O=C(NCc1cc(=O)n2ccccc2n1)N1CCC[C@H]1CN1CCCC1 651433985 PTQIWCLBAYKYNM-INIZCTEOSA-N 355.442 1.464 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 575403160 DSVKHSDIMCTXMI-BZUAXINKSA-N 355.394 1.500 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3ccoc3C)CC(F)(F)C2)C1=O 585093237 KOTVCVWECNUDKC-INIZCTEOSA-N 356.369 1.934 0 40 FDAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]12)NCc1ccco1 585108399 GBDOFRCVDCUAGX-BPLDGKMQSA-N 350.390 1.652 0 40 FDAB COC(=O)c1ccc(C(=O)NCC2(OCCO)CCSCC2)cc1 828765312 FHLCNSOQLVHXDW-UHFFFAOYSA-N 353.440 1.478 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 52702252 YRPAFRASWICUKH-UONOGXRCSA-N 352.479 1.191 0 40 FDAB O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC(N2CCNC2=O)CC1 54099837 MUVGXZCNTSHJBC-MRXNPFEDSA-N 374.416 1.195 0 40 FDAB CC(C)N1CCC[C@@H](N2CCN(Cc3nnc(C(C)(C)C)o3)CC2)C1=O 95999516 HCARHWBUHDGSCH-OAHLLOKOSA-N 363.506 1.884 0 40 FDAB CC(C)n1cnnc1CN(C)S(=O)(=O)c1ccc2nc(O)oc2c1 1663621765 ORMTUCCSVOVXLH-UHFFFAOYSA-N 351.388 1.527 0 40 FDAB O=C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1c1ccccn1 1250998822 VKQYQQLARDAQTD-UHFFFAOYSA-N 368.418 1.667 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccccn3)C[C@H]12 1549161860 OHJILTHNKMJZDL-KRWDZBQOSA-N 370.453 1.489 0 40 FDAB Cc1cccc(Nc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1C 11639888 FUXMFRIDJFZTTD-QZTJIDSGSA-N 374.462 1.935 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NC[C@@H]1CCCO1 12086840 VQOZPFUIWFLCNJ-HNNXBMFYSA-N 374.437 1.366 0 40 FDAB Cc1cccc(NC(=O)CN2CCC3(CC2)NC(=O)c2ccccc2O3)n1 12117938 GRNRDEBJJHODST-UHFFFAOYSA-N 366.421 1.943 0 40 FDAB Cc1nc2c(c(=O)n1CC(=O)NCC1CC1)CCN(Cc1ccccc1)C2 12186289 QSRJFKMHAATFQX-UHFFFAOYSA-N 366.465 1.636 0 40 FDAB Cc1nc2ccccn2c1P(=O)(N1CCOCC1)N1CCOCC1 12560691 IILCMIIEWRLXEI-UHFFFAOYSA-N 350.359 1.126 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2CCCC2)CC1=O 14139256 NRAFQNZRPBRGHH-HUUCEWRRSA-N 374.437 1.911 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC)CC1)C2=O 19699334 AMEWKKZAJZKCIA-UHFFFAOYSA-N 350.463 1.184 0 40 FDAB CCC(=O)N1CCC(N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)CC1 19701349 TXLVJLXRLULREG-UHFFFAOYSA-N 364.490 1.430 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@@H](NC(=O)c3cnccn3)CC2)c(C)n1 19749100 STGIWTHSEYEYAN-CQSZACIVSA-N 354.414 1.308 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 5564547 DRBATOSLNKOIGJ-XFXZXTDPSA-N 366.395 1.716 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2ncccc2c1 575616999 PIGDEBXWGHPXRR-QGZVFWFLSA-N 373.478 1.616 0 40 FDAB COCCn1nc(C(=O)Nc2ccc(Br)cc2)ccc1=O 10219908 BNCMNLUOUXUIRA-UHFFFAOYSA-N 352.188 1.905 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cscn5)C[C@@H]4C3)nn12 1888879495 SPXDJIZVVYMYEI-RYUDHWBXSA-N 355.427 1.098 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cscn5)C[C@@H]4C3)ncnc21 1888900859 WLYXPPSXAHLJEN-QWRGUYRKSA-N 355.427 1.028 0 40 FDAB Cc1nc(CN2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)no1 1889149279 UKCQRFVMODXROM-UHFFFAOYSA-N 355.402 1.612 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)CCN1C(C)C 1848353752 PSJIRDWOCJASID-SFHVURJKSA-N 372.469 1.468 0 40 FDAB CS(=O)(=O)NCCCNC(=O)c1cc(F)cc(Br)c1 32930925 GYOIXPFZXQWISU-UHFFFAOYSA-N 353.213 1.257 0 40 FDAB CCn1nccc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985187 ZYYGFGHHKIMSLZ-HXUWFJFHSA-N 368.437 1.799 0 40 FDAB CCn1nnc2c1CCN(C(=O)CCc1cncnc1)[C@@H]2COCC1CC1 1614929662 LVAPJCQKWYHMCG-QGZVFWFLSA-N 370.457 1.573 0 40 FDAB COc1ccc(N2C[C@@]3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)CC2=O)cc1 1565547675 LWBLRAWPZXOLTJ-QXOCSCLMSA-N 356.422 1.543 0 40 FDAB Cc1nc(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)cs1 1565544159 RRGXEGHQEZVQLU-FPMFFAJLSA-N 373.438 1.500 0 40 FDAB O=C(Cc1cccc(F)c1F)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 1565542282 IFRSZIPQNLIDFZ-TXPKVOOTSA-N 366.408 1.598 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 630572 PMHKJPKULSECBC-KBPBESRZSA-N 368.499 1.834 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 1065734 VUPGBLWVWFMDOK-OLMMMNRUSA-N 366.385 1.992 0 40 FDAB CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518951 GXVALJNICWMVOI-CQSZACIVSA-N 350.396 1.047 0 40 FDAB COc1cc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc(OC)c1OC 10255659 QDWQBQGJDBDRMV-CQSZACIVSA-N 356.378 1.769 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N(C)C)cc1 11899038 VTOGLAGCLZCEGN-QGZVFWFLSA-N 371.441 1.341 0 40 FDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966221 UVHPCPCIHXLVFK-UHFFFAOYSA-N 368.328 1.155 0 40 FDAB O=C(Cc1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134222 JFZCYTOLVYVLIY-UHFFFAOYSA-N 368.466 1.611 0 40 FDAB O=C(N[C@H](N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccccc1 28294271 DLZLVYBSRRTICU-AEFFLSMTSA-N 372.446 1.402 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cccnc2O[C@H]2CCSC2)CC1 225725324 XXBIMXQTSFFLLW-ZDUSSCGKSA-N 365.455 1.880 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)Cc2ccco2)cc1 206621827 OMNUPZBETPXYGK-SFHVURJKSA-N 360.366 1.115 0 40 FDAB C[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)N1CCCC1 40081954 UWYUZQKWMLXEQY-MRXNPFEDSA-N 370.453 1.536 0 40 FDAB COC(=O)C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccccc1 40009898 MHDWHQANQMGGPP-ZDUSSCGKSA-N 357.391 1.790 0 40 FDAB COC(=O)c1ccc(C)c(O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40051904 JJSHQXIDZYKCQQ-OCCSQVGLSA-N 369.439 1.194 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 20064314 HRSIAJSIAWBXIQ-CQSZACIVSA-N 372.494 1.874 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccnc1-n1cccn1 40120947 XIRLPDBMEIAREW-UHFFFAOYSA-N 362.455 1.631 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2Cl)CC1 36727503 VUYCRAIEVDKVKV-CYBMUJFWSA-N 365.861 1.785 0 40 FDAB COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cc(O)ccc2Cl)n1 2521491 IVNIYQSXICOYPT-UHFFFAOYSA-N 373.778 1.058 0 40 FDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C(C)(C)C)cc1)c(=O)n2C 6082791 MIFPNLLYYWGVPM-UHFFFAOYSA-N 369.425 1.370 0 40 FDAB CCc1nn2c(=O)cc(Cn3nc(-c4ccc(F)cc4)oc3=O)nc2s1 21532087 RHPFLQBVZIPPCX-UHFFFAOYSA-N 373.369 1.718 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NCc1ccco1 52689353 WVWHNSLWUDTPTK-QEJZJMRPSA-N 363.414 1.412 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 28201254 CBTHMYQSYXCVNR-UHFFFAOYSA-N 372.421 1.751 0 40 FDAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cccnc2)c2ccccc21 101439640 OZIVQPOPBSSFQH-INIZCTEOSA-N 352.394 1.312 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@@]3(C[C@@H](Nc4ccccc4)CO3)C2)c1 107225919 DBDAEAJMQXIEDJ-NVXWUHKLSA-N 362.455 1.454 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2sccc2C(N)=O)C1 104095430 CVYZWXMSUWJNFE-GHMZBOCLSA-N 353.444 1.449 0 40 FDAB O=C([C@H]1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1)N1CCOCC1 104402776 YLCMXEBSZDOGBO-MRXNPFEDSA-N 369.425 1.121 0 40 FDAB CCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 23141805 GHGCVPCLZYNXNY-UHFFFAOYSA-N 357.505 1.213 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)NC(=O)N2 20745325 OOSKGBBLTSDWIM-MRXNPFEDSA-N 362.389 1.976 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)Cc3cccc(F)c3)C2)n1 54704619 LOTXOUOFFPVGCH-CQSZACIVSA-N 360.389 1.582 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1-n1cccc1 21475409 JWNWCYVSEBNJCT-UHFFFAOYSA-N 352.394 1.600 0 40 FDAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O 20466117 YLUHKVOJUYWROD-PMCZWNHSSA-N 368.518 1.713 0 40 FDAB biogenic,in-vitro CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3Cl)nnc12 1409206 PUVAWDXNXPEKBG-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB CCc1ccc([C@@H]2C(C(=O)N3CCN(C)CC3)=C(C)Nc3ncnn32)cc1 54672234 QGFWMJZWBFZWEX-GOSISDBHSA-N 366.469 1.903 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 27472822 AQLHMDWFBGREJN-HIFRSBDPSA-N 374.528 1.546 0 40 FDAB CN(C)c1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 58246434 HYKAHPZPBUSQCY-HNNXBMFYSA-N 358.394 1.651 0 40 FDAB Cc1cc(OCC(=O)N2CCC(C(N)=O)CC2)c2c(C)cc(=O)oc2c1 2113054 FXEKRKUZKLMXEX-UHFFFAOYSA-N 358.394 1.513 0 40 FDAB biogenic CCC1(CC)NC(=O)N(C[C@@H](O)COc2ccc3c(c2)OCO3)C1=O 58304704 FRAFBHUZQOOFJV-LLVKDONJSA-N 350.371 1.266 0 40 FDAB CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1 58438067 RIUFHWJJUHSLOS-DOTOQJQBSA-N 357.454 1.777 0 40 FDAB COCCn1c(N)c(C(=O)CSc2ccccc2Cl)c(=O)[nH]c1=O 10790374 JIEATGZKFYAMJE-UHFFFAOYSA-N 369.830 1.394 0 40 FDAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCN(C)CC1)S(C)(=O)=O 22873919 YHIKEKLTLCPISY-ZDUSSCGKSA-N 373.906 1.577 0 40 FDAB NC(=O)COc1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 12615817 VYINIJCRODQVKJ-UHFFFAOYSA-N 353.378 1.695 0 40 FDAB COc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1OC[C@H]1CCCO1 48152060 YHKJZTLFPYPPRG-WCQYABFASA-N 357.428 1.625 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2csc(-c3ncccn3)n2)C1 48261749 GZZNTEHXCJXNBD-LLVKDONJSA-N 353.473 1.114 0 40 FDAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc(O)nn2)C[C@@H](C)O1 48324468 ZTNFQLAVPGEXSZ-OKILXGFUSA-N 356.426 1.721 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCc4ccccc43)cnc21 12821134 QZFPSYOVULZTHM-UHFFFAOYSA-N 350.378 1.698 0 40 FDAB COCCNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3466737 VOUMWTAUTBTKNY-UHFFFAOYSA-N 367.405 1.245 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2OC(F)F)C[C@@H](C)O1 12900568 LUQTUSXNXIYCSS-PHIMTYICSA-N 350.387 1.732 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccccn3)CC2)n1 8204863 KBINASUMVSZLRP-UHFFFAOYSA-N 373.482 1.558 0 40 FDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 49580889 HHHPYWQMMUGGEK-LRDDRELGSA-N 356.426 1.936 0 40 FDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4308534 SHDRLJXZJAXOIB-SFHVURJKSA-N 359.357 1.892 0 40 FDAB O=C(CNC(=O)C1CCCCC1)NCC1(N2CCOCC2)CCCCC1 14169703 ZDFQCUXESZWARG-UHFFFAOYSA-N 365.518 1.834 0 40 FDAB CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 6661327 BQVLKAMOAVYDBW-UHFFFAOYSA-N 366.443 1.642 0 40 FDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC 6719147 BEMNAPZCJGNBSL-YPMHNXCESA-N 356.469 1.799 0 40 FDAB COC(=O)c1ccc(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5874877 OCAWFDHKNKDGBB-UHFFFAOYSA-N 360.366 1.381 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1sccc1C 6936835 PONXPBJWNMGUGD-NSHDSACASA-N 361.423 1.458 0 40 FDAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COCc2ccccc2OC)C1 6940141 GJUIMXNTZLFGBV-RDJZCZTQSA-N 351.443 1.848 0 40 FDAB O=C(O)c1ccc(N2C(=O)C[C@@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 17989044 OOSYEZHBDCYEDQ-CQSZACIVSA-N 354.318 1.827 0 40 FDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 8921951 ORZZEPQUOVRROZ-SJXRWQQJSA-N 364.475 1.662 0 40 FDAB CC/C(N[C@H]1CCCC[C@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 19359809 MBHCWENHJMABNB-PODIUQQRSA-N 362.474 1.921 0 40 FDAB O=C(NCCn1cnc2ccccc2c1=O)c1cc(-c2ccccn2)n[nH]1 96118280 NHACXWKGSMCUTO-UHFFFAOYSA-N 360.377 1.612 0 40 FDAB CCOc1cccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c1O 72332778 NNELZGCFTDDBGU-LLVKDONJSA-N 355.354 1.436 0 40 FDAB NS(=O)(=O)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 84452312 ASZSBPGBVAUWRG-UHFFFAOYSA-N 364.349 1.168 0 40 FDAB C[C@@H](CN1CCOCC1)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 84638275 KSSHDPDDADSHKK-KGLIPLIRSA-N 372.462 1.072 0 40 FDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCS(=O)(=O)C1 88241782 WYKMFBUQJOIDSV-CYBMUJFWSA-N 364.398 1.409 0 40 FDAB CCc1n[nH]c(S(=O)(=O)[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)n1 86170281 HQDIVGMOZDEZMN-RYUDHWBXSA-N 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FDAB O=C(COc1ccccc1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19373486 YGXKFQDYXPUMLN-AWEZNQCLSA-N 366.425 1.098 0 40 FDAB O=C1CCOC[C@]2(CN(C(=O)c3ccccn3)C[C@H]2c2ccccc2)N1 19373767 CBDUAKHHCRDYEM-JXFKEZNVSA-N 351.406 1.597 0 40 FDAB O=C(Cc1ccsc1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19404010 IMZSLOYNWPBQQN-LBPRGKRZSA-N 357.395 1.731 0 40 FDAB COCCCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O 19589328 FKPBSNITTRNMMP-QZTJIDSGSA-N 359.470 1.387 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)N(C)C)cn2)C1 19705614 IRTVZCSDRGBGIR-HNNXBMFYSA-N 355.442 1.845 0 40 FDAB CN1CCN([C@@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)O)CC1 22585093 QXHYEUWOIDFDTL-ZDUSSCGKSA-N 357.357 1.317 0 40 FDAB CC(C)(C)NC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23135190 AVSZTZSBNKZNGP-UHFFFAOYSA-N 361.425 1.427 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(F)cc2F)c(=O)[nH]c1=O 5634175 VZDKIHAAWFYLFR-UHFFFAOYSA-N 366.368 1.864 0 40 FDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 23695385 XASKKDINMHXKBO-SFHVURJKSA-N 352.438 1.740 0 40 FDAB 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1.720 0 40 FDAB COc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1F 390830753 NCRKTSBDDONJAH-UHFFFAOYSA-N 373.450 1.506 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cccc(Br)c1 575620382 SBMBXOMCMLWNBC-UHFFFAOYSA-N 369.215 1.345 0 40 FDAB CCOC(=O)[C@@H](C)n1cnc2c(nnn2-c2ccc(OC)c(OC)c2)c1=O 5057433 MTRHJLWJFMYHDE-SNVBAGLBSA-N 373.369 1.119 0 40 FDAB COc1ccc(OC)c(CNC(=O)c2c(O)c3cccnc3[nH]c2=O)c1 49411697 FGNSYRDKDUHVKZ-UHFFFAOYSA-N 355.350 1.576 0 40 FDAB CN1C(=O)c2ccc(NC(=O)COC(=O)Cc3ccc(F)cc3)cc2C1=O 25379363 ZBJQYIOKPXADHN-UHFFFAOYSA-N 370.336 1.776 0 40 FDAB O=C(CNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1 31408573 UJLUWICGHSGCOU-UHFFFAOYSA-N 358.308 1.309 0 40 FDAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 45749686 BOTLYTHZSAZASM-RHSMWYFYSA-N 355.438 1.847 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3408390 AFGAFCVNJKHVEM-UHFFFAOYSA-N 362.367 1.133 0 40 FDAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CCC(N)=O)C(=O)O 4535361 NXEMZXBNHFUICE-LLVKDONJSA-N 365.773 1.752 0 40 FDAB 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COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OC(C)C)CC1 22063607 YUYNSPXJCSFOTG-UHFFFAOYSA-N 369.439 1.826 0 40 FDAB CCCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1N 645480 QLAOEOAXPRPCGM-UHFFFAOYSA-N 351.432 1.692 0 40 FDAB O=C(CCC(=O)NCc1ccc(F)cc1)NCCCN1CCOCC1 23477789 LAXONJWFXYKNFK-UHFFFAOYSA-N 351.422 1.061 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCc3[nH]ncc3C1)CC2 118854759 BPWXSKNCVUODDE-UHFFFAOYSA-N 356.426 1.370 0 40 FDAB COC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 23887510 OMPRBAKWHKKAHH-CYBMUJFWSA-N 358.391 1.365 0 40 FDAB O=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccc(F)cc1 22423697 UIMUWUVIDPDREV-UHFFFAOYSA-N 352.391 1.772 0 40 FDAB COC[C@@H](C)NC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C 55860115 VMUVGGCDYFYAMY-LLVKDONJSA-N 361.364 1.850 0 40 FDAB CCc1nnsc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 25467980 YPYCGTYRQQMHDL-UHFFFAOYSA-N 354.457 1.281 0 40 FDAB CCOC(=O)C(NC(=O)c1cnn(-c2ccccc2)c1C)C(=O)OCC 25989235 GTTPVISJIOWLEI-UHFFFAOYSA-N 359.382 1.405 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)C1 100128842 YWMLTYUQXPFEHA-QBPKDAKJSA-N 360.502 1.739 0 40 FDAB C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 12551467 QFSCHXJBSAARQX-GHMZBOCLSA-N 353.469 1.660 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2cc(Cl)cn2)cc1 27969499 UNKNNQFLTPGHSA-CQSZACIVSA-N 353.831 1.502 0 40 FDAB O=C(NCCN1CCN(C(=O)[C@H]2CCCOC2)CC1)c1ccccc1F 108824974 OTYHFXFNQGCNDT-HNNXBMFYSA-N 363.433 1.126 0 40 FDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58194604 AZKGWWQBQUSYCZ-LBPRGKRZSA-N 350.362 1.913 0 40 FDAB CCOc1ccc(-c2noc(CN3CCN(CCOC)C(=O)C3)n2)cc1 91829639 JTIVGLVCUSTFRI-UHFFFAOYSA-N 360.414 1.426 0 40 FDAB CCOC(=O)c1sc2nc(CSc3n[nH]c(N)n3)nc(N)c2c1C 10389146 TVNJYRNSDIMOSV-UHFFFAOYSA-N 365.444 1.751 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nncn2C)C1 48278056 HCLXNLMPEKLXHY-HIFRSBDPSA-N 359.430 1.569 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2cc(-c3ccco3)on2)n(C)c1=O 8069185 QYNSYGFKFXYJOA-UHFFFAOYSA-N 361.745 1.383 0 40 FDAB COc1ncccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 48303406 PLICMTBVYLEWAY-UHFFFAOYSA-N 350.400 1.102 0 40 FDAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 13195579 VTDWLPVEBQHJBH-CQSZACIVSA-N 363.391 1.952 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)s1 63351716 RDJPOUPBJLIDBD-STQMWFEESA-N 369.443 1.890 0 40 FDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 4089137 VEKOJSRNQVRNOJ-IRXDYDNUSA-N 368.389 1.903 0 40 FDAB biogenic CNS(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1 4019220 VUQVRKXWDPCAAN-UHFFFAOYSA-N 366.874 1.970 0 40 FDAB CC(=O)Nc1cccc(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)c1 8371903 NQBWFJCTZOFMJK-UHFFFAOYSA-N 363.414 1.175 0 40 FDAB CCOC(=O)C1=C(Cn2nnc(-c3ccccc3C)n2)NC(=O)N[C@H]1C 8391412 HIGDNQVWNILNML-NSHDSACASA-N 356.386 1.167 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=COCCO3)CC2)c(C)c1 8379017 RHVKKURFOXFAPL-UHFFFAOYSA-N 366.439 1.025 0 40 FDAB O=C(C1CCCC1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 23057567 ZFACPVDZLSMRIV-UHFFFAOYSA-N 355.438 1.617 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(CC(F)(F)F)CC1 14185674 FSPTWKVCUYSYTD-UHFFFAOYSA-N 354.332 1.172 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCCO1 4676829 VZNKXLAIWSQNRX-QGZVFWFLSA-N 363.433 1.550 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)OCc1nnnn1-c1ccccc1 17991982 PLLLFBHNRWXSMS-UHFFFAOYSA-N 365.349 1.704 0 40 FDAB Cc1nc(C)n(C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)n1 4937246 XNVXILALCIJAQJ-CYBMUJFWSA-N 355.394 1.930 0 40 FDAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=O 5925157 VOOMMJCTBRLAAU-UHFFFAOYSA-N 350.400 1.483 0 40 FDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9721391 ALYUYEMXRXEINY-UHFFFAOYSA-N 357.410 1.753 0 40 FDAB C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 89941526 AFRHYQFLBFBDKY-KBXCAEBGSA-N 351.406 1.931 0 40 FDAB CCOC(=O)c1cc(NS(=O)(=O)c2cccc3nsnc23)c[nH]1 76092931 MAYZEPBOUVCKRS-UHFFFAOYSA-N 352.397 1.997 0 40 FDAB CN(C)CCn1ccc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)n1 95446548 IBHFSRDORBWAEJ-UHFFFAOYSA-N 366.510 1.267 0 40 FDAB CNC(=O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 89747126 PNWASHGNWXGLEN-UHFFFAOYSA-N 366.408 1.998 0 40 FDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408651564 GVOXDLDPGAJAMA-RZQILNRJSA-N 357.362 1.569 0 40 FDAB CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209722 WJUVLFAHCIHZMN-TZMCWYRMSA-N 368.455 1.598 0 40 FDAB CCN(CC(=O)NC(=O)NC(C)(C)C)Cc1nc2ccccc2c(=O)[nH]1 25703271 VGVHBTROWGYQEL-UHFFFAOYSA-N 359.430 1.369 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)n2ncnc2n1 306126478 DXDTXUYYVTUKEG-HNNXBMFYSA-N 366.425 1.892 0 40 FDAB Cn1cc(-n2cc(C(=O)N[C@@H](CO)c3cccc(F)c3)ccc2=O)cn1 546915992 ICNRFEBWQDFQFR-INIZCTEOSA-N 356.357 1.174 0 40 FDAB CCOC(=O)Cc1cc(CC(=O)OCC)c(NC(C)=O)cc1NC(C)=O 3845088 ZDQCXOFAKKMQSQ-UHFFFAOYSA-N 364.398 1.815 0 40 FDAB biogenic O=C(NCCNc1ncccn1)c1cc(=O)c(OCc2ccccc2)c[nH]1 524734755 KBJNFHQKBPOIRB-UHFFFAOYSA-N 365.393 1.586 0 40 FDAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCCC2)n1 72378801 PZQLMTDIYAWKAJ-MRXNPFEDSA-N 354.458 1.984 0 40 FDAB COCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1ccccn1 35315778 UABYNLNEFWXSIK-MRXNPFEDSA-N 357.366 1.827 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)NCC[S@](C)=O)[C@@H]31)O2 72334271 MYCFJOVNBCZKKW-VTRBDHORSA-N 361.463 1.850 0 40 FDAB CCc1nn2c(nnc3c(=O)n(C(N)=S)ccc32)c1-c1ccc(F)cc1 40391786 XEYLCFVNIJVTIO-UHFFFAOYSA-N 368.397 1.899 0 40 FDAB CCOc1ccc(N[C@H](C)C(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)cc1 137065316 FKWDGZKOLKKXQN-NPRUJURCSA-N 372.381 1.690 0 40 FDAB O=C1NC(=O)[C@@H]2[C@@H]1Sc1[nH]c(=O)sc1[C@@H]2c1c[nH]c2ccccc12 136478674 YCDBVPWWHITLPH-VWYCJHECSA-N 357.416 1.797 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)cc1 224859158 DMFWHUUPCVDZHM-LBPRGKRZSA-N 358.485 1.324 0 40 FDAB CS(=O)(=O)c1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)cc1 528637433 DVRQKFXPTNDEKO-INIZCTEOSA-N 353.484 1.844 0 40 FDAB CN(C)CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228838 HXDKRCFJYRBHTL-OAQYLSRUSA-N 359.514 1.732 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(CCN(C)C)C2 96055941 AGAOHZRZOVLJNJ-RXVVDRJESA-N 374.529 1.720 0 40 FDAB CC(=O)N1C[C@]2(CO[C@@H](C(=O)NCCc3cccnc3)C2)c2ccccc21 96144477 OIVSCXTWFRERDL-TZIWHRDSSA-N 365.433 1.834 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 332087756 IUJWOBMFNRZTRK-JTQLQIEISA-N 355.441 1.580 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccncc1 96115717 KTNYGHAPRPRDNF-INIZCTEOSA-N 352.394 1.271 0 40 FDAB biogenic COC[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1c1ncccn1 96240399 HJEQCCPVKLGANS-HNNXBMFYSA-N 355.442 1.952 0 40 FDAB CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1ccc(F)cc1)CCC2 96197546 FOWUSLXNKJJLMW-UHFFFAOYSA-N 358.417 1.419 0 40 FDAB Cc1nc2ccc(C(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)cc2[nH]1 257262703 LMMFNWSHORMBDE-RDJZCZTQSA-N 358.442 1.609 0 40 FDAB CNc1cc([C@@H]2CCCN2C(=O)CNc2ccc3nncn3n2)ccn1 257306723 SVNJYZMVAWRWTG-ZDUSSCGKSA-N 352.402 1.337 0 40 FDAB Cc1cc(F)ccc1CC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257281335 OORYVODEEQQJEM-CQSZACIVSA-N 359.401 1.890 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)C3CCOCC3)C2)nc2c1CC(=O)N2 257280657 OLUHRIYAUCAZDJ-IBGZPJMESA-N 358.442 1.586 0 40 FDAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2cc3ccccc3s2)C1 252484914 GKKNDPBKISVFOH-UHFFFAOYSA-N 362.436 1.328 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3F)cnc21 629275724 SCXZYWVTLUEQBH-SMDDNHRTSA-N 359.336 1.081 0 40 FDAB O=C(O)[C@@H]1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)[C@H]2CCC[C@@H]21 630280260 MOHQFPYNLZBFFC-JMSVASOKSA-N 371.393 1.204 0 40 FDAB Cc1nc(N)nc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 631275016 YFZYPLRNQXQTMN-QGZVFWFLSA-N 353.474 1.159 0 40 FDAB CCC[C@@H](C)N1C[C@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775959365 XLPDFQMGDFHKNT-REBRKWNGSA-N 364.446 1.704 0 40 FDAB Cc1nccc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 608078616 RKTSJAAFRLREBN-UHFFFAOYSA-N 354.457 1.480 0 40 FDAB Cc1nc(N2CCN(C(=O)c3c(C)nsc3C)CC2)c2cnn(C)c2n1 294878476 UQEBKVNRVXLOAX-UHFFFAOYSA-N 371.470 1.707 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3ccn(C)c3c2)C1 685943328 YXSIIIWWQHACQT-ZMSDIMECSA-N 353.426 1.591 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(C2CC2)[nH]n1 53678788 PPAJLXRSOIFABI-UHFFFAOYSA-N 360.439 1.658 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1n[nH]c2cc(F)ccc12 682821892 HLAOJCLGUGMRBD-WDQYXFPCSA-N 354.341 1.448 0 40 FDAB CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 1013776 GEBFNXVVDBYCHZ-VMPITWQZSA-N 372.834 1.221 0 40 FDAB Oc1c(Br)cc(C=NNc2nnn[nH]2)cc1Br 5816089 CKZDWLJGPRACOW-UHFFFAOYSA-N 361.985 1.876 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1 5952970 VKJDNSLDKFXSPG-CHWSQXEVSA-N 352.412 1.187 0 40 FDAB O=C(CN1CCC(O)(c2ccccn2)CC1)NCCc1ccc(F)cc1 12114633 PBDVWFQCOSJSFH-UHFFFAOYSA-N 357.429 1.863 0 40 FDAB Cc1nc2[nH]c(C)c(CC(=O)NCCCc3ccc(F)cc3)c(=O)n2n1 12193270 SOQCLPIBCCZXQH-UHFFFAOYSA-N 357.389 1.465 0 40 FDAB COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O 13777735 FKIQDLXZMZRQDP-UHFFFAOYSA-N 363.439 1.954 0 40 FDAB CC(=O)NCC(=O)N1CCC(c2cc(C(=O)NC3CCCC3)on2)CC1 19021289 IYGOUNKMXVXHGL-UHFFFAOYSA-N 362.430 1.189 0 40 FDAB Cc1nc(C)n(CC(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)n1 19285802 DTIUWFOGYHSBHI-UHFFFAOYSA-N 371.441 1.925 0 40 FDAB O=C(COc1cccc(F)c1)NCc1cc(=O)[nH]c(-c2cccnc2)n1 19294241 OYJAYAYRVPMSMR-UHFFFAOYSA-N 354.341 1.666 0 40 FDAB O=C(c1cccc(Cl)c1)N1CCC(N2CCN(CCO)CC2)CC1 19888784 DTHFCGQJBNUTEA-UHFFFAOYSA-N 351.878 1.555 0 40 FDAB CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)c3c4c(nn3C)CCCC4)C2)n1 12406530 ZOVSMZKOWDOICC-GFCCVEGCSA-N 370.457 1.490 0 40 FDAB Cc1noc(C)c1C(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 19126997 QQKAHUQZIOKBAF-UHFFFAOYSA-N 365.393 1.992 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 253395042 WLLPBUMYMFZUHC-CQSZACIVSA-N 357.410 1.483 0 40 FDAB Fc1cncnc1N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888842642 GTLVQXKPJYFBLP-AOOOYVTPSA-N 354.311 1.997 0 40 FDAB CCc1cnc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)nc1 1888890831 YZEHUBGODSBIHL-UHFFFAOYSA-N 364.457 1.958 0 40 FDAB Cc1c(NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)cnn1C 2037916078 MBRABMVZBKVBBM-HXUWFJFHSA-N 372.469 1.963 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccc(C)n4)[C@H]3C2)cn1 2056223333 GLEULZZPCUZWAG-ROUUACIJSA-N 368.437 1.519 0 40 FDAB Cn1ccc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)cc1=O 2086978712 SEXCGKZJIJEVAS-UHFFFAOYSA-N 362.437 1.560 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551039 JHOJYZVSLQCGLD-APWZRJJASA-N 368.441 1.461 0 40 FDAB CN1C(=O)c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 4518024 TVERLRJYPFQZRI-UHFFFAOYSA-N 358.375 1.568 0 40 FDAB Cn1c(=O)c2nc(SCC(=O)c3ccc(F)cc3)n(C)c2n(C)c1=O 4571023 NCWBAZBAKKIMLV-UHFFFAOYSA-N 362.386 1.085 0 40 FDAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccc3c(c2)OCO3)CC1 2055713206 FRFVXWKYMVVKHP-UHFFFAOYSA-N 356.426 1.691 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCc3nc(-c4cccn4C)no3)nc2n1 225766831 SMAJYNOUCJFJJM-UHFFFAOYSA-N 352.358 1.060 0 40 FDAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 12231117 WAULQTARTVAMMD-INIZCTEOSA-N 356.401 1.941 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 101021092 IUOAIADSKHKEMQ-ONGXEEELSA-N 350.718 1.032 0 40 FDAB O=C1CCc2ccc(OCc3noc(C(=O)NC[C@H]4CCCO4)n3)cc2N1 20745353 OJFBDDUPBBWPNL-CYBMUJFWSA-N 372.381 1.442 0 40 FDAB CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 4921305 AOHYQGVMTDLXSL-ZPAWYTMASA-N 374.433 1.882 0 40 FDAB O=C(c1cc(Cl)c[nH]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32768637 KHVKEEUXKKWEKQ-UHFFFAOYSA-N 367.858 1.956 0 40 FDAB CCc1nn2c(=O)cc(CNc3ccc(-n4nccn4)cc3)nc2s1 32927156 RCICFOCKJTXNBV-UHFFFAOYSA-N 353.411 1.906 0 40 FDAB O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 47163533 MFQZWSWCTMYZQD-MRVPVSSYSA-N 352.243 1.351 0 40 FDAB COC(=O)c1ccoc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 24240903 LPXKOFKTUSHWCG-LLVKDONJSA-N 352.412 1.907 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 101783584 ZYNHHNSCGDFQLP-MVJTYMMSSA-N 358.413 1.993 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 12407432 SDDXJPPNLDDEHE-AWEZNQCLSA-N 360.410 1.460 0 40 FDAB COCCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2F)C1 47631631 PUCHEXBGERPPDE-CQSZACIVSA-N 352.406 1.656 0 40 FDAB O=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 102277056 CPTXAUUMPVTVAB-LBPRGKRZSA-N 354.366 1.132 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1 3256653 JAQJUPWRLYQYDA-UHFFFAOYSA-N 372.425 1.326 0 40 FDAB O=C(CCn1cnc2sccc2c1=O)NCCc1nnc2ccccn12 10079910 OPEWBWWYKAULFX-UHFFFAOYSA-N 368.422 1.250 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 44719686 VSGLLNCUCGKTTJ-FUHWJXTLSA-N 371.481 1.923 0 40 FDAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCS(N)(=O)=O 58222812 RJSBOIAIAJUESB-UHFFFAOYSA-N 365.889 1.852 0 40 FDAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCN(C)C)CC(=O)N21 2104954 IMJPNEHJWQRZOV-GUYCJALGSA-N 354.454 1.776 0 40 FDAB biogenic CC(C)c1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36359290 KLOOQUBWCOEWLC-CQSZACIVSA-N 353.444 1.235 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O 8326524 NGHAZWQFTGOVLS-IBGZPJMESA-N 363.377 1.606 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 12790306 HRFUIJCJENJEBM-GXFFZTMASA-N 364.423 1.082 0 40 FDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408559550 MJVZZLBIFRWHQX-NSHDSACASA-N 360.863 1.885 0 40 FDAB O=C(NCC(=O)N1CCCC[C@@H]1C1OCCO1)NCc1ccc(F)cc1 69744065 BELRBRSFUQDAFF-OAHLLOKOSA-N 365.405 1.379 0 40 FDAB Cc1c(C(N)=O)sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c12 5010098 AWEZLPNXYLODHG-UHFFFAOYSA-N 370.434 1.524 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(OCC)cc3)C2=O)C1 5053977 YKRVUPAARBGDNP-KRWDZBQOSA-N 374.353 1.394 0 40 FDAB CCCCCOc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1 13801129 VITVTRPNDTYSRK-PTNGSMBKSA-N 357.435 1.936 0 40 FDAB O=C(CSCc1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 39998346 QVACNXMTXFRMAB-SNVBAGLBSA-N 356.494 1.833 0 40 FDAB CC(C)CCNC(=O)NC(=O)COC(=O)c1cc2ccccc2oc1=O 6375132 VKLKACKAICKLJJ-UHFFFAOYSA-N 360.366 1.822 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)NC1CCN(S(C)(=O)=O)CC1 29319816 YAWOQIFNCWMMLC-AWEZNQCLSA-N 353.488 1.731 0 40 FDAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(NC(N)=O)cc2n(C)c1=O 5345909 MTWDGIWSBULSDD-UHFFFAOYSA-N 369.425 1.625 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 4699556 RBXZDEGJELGBEF-UHFFFAOYSA-N 369.443 1.544 0 40 FDAB COc1c(C[C@H]2CC(CO)=NO2)c(Br)c2c(c1OC)OCO2 15085826 KWCLENZEJFAOTP-MRVPVSSYSA-N 374.187 1.875 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3ccsc3n1)CS2 5876116 KUJCMUBRJUHYOX-BONVTDFDSA-N 365.436 1.253 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)c2cncc(Br)c2)C[C@@H](C)O1 15154417 PNWWMHFGJPYUQQ-AOOOYVTPSA-N 357.204 1.637 0 40 FDAB C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCCO1 67290690 OCXQEXMCNZIPKO-XZOAIXRZSA-N 371.437 1.146 0 40 FDAB COC[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 7349381 PXPPTYJHQKRKBV-LLVKDONJSA-N 359.403 1.829 0 40 FDAB CCS(=O)(=O)CCNC(=O)c1ccn(-c2cc(C)ccc2OC)n1 68056090 DVJNABSQTSMWJL-UHFFFAOYSA-N 351.428 1.354 0 40 FDAB COCCN(Cc1ccccc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 9048473 SDKZNKISPGGSKW-UHFFFAOYSA-N 367.409 1.104 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 68200144 KSTPICXUDWALEJ-GOEBONIOSA-N 354.447 1.341 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc(OC)c1 97015156 CVTWDSIGMNDMBF-CQSZACIVSA-N 366.443 1.388 0 40 FDAB CN1CCN(C[C@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)O)CC1 72403418 WNWINMXDUWBXIB-NSHDSACASA-N 374.363 1.377 0 40 FDAB O=C(OCc1ccno1)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 84618041 VJYCTCYXAKPKKN-CBRPWGMXSA-N 374.437 1.896 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)cc1 408616931 BQHWGYQQEUYHSB-CYBMUJFWSA-N 358.460 1.247 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707808 FGFQYVGUFAVHBM-AWEZNQCLSA-N 358.442 1.118 0 40 FDAB CCCN1CCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 36329685 NHNNVNACPMJWIJ-UHFFFAOYSA-N 355.460 1.370 0 40 FDAB Cc1cc(N2Cc3ccnn3[C@H](COc3ncccn3)C2)n2ncnc2n1 306137685 RDCNVLAROYXJBM-AWEZNQCLSA-N 363.385 1.060 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 306132359 LGHXIMVLEWVUPW-QZTJIDSGSA-N 365.499 1.677 0 40 FDAB O=C(CCn1cnnn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 524735487 FNXKQACPFRDYEB-UHFFFAOYSA-N 369.347 1.592 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326757 VILCDBJYKIWEBU-BLVKFPJESA-N 356.426 1.218 0 40 FDAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)CC2)n1 238827725 FDNJPKCTDWKJDQ-HDJSIYSDSA-N 357.414 1.307 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 40161689 IWQZQTVALKGDBW-MRVPVSSYSA-N 370.408 1.016 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1CC(=O)N(Cc3ccccc3)C1)C2 225522309 CMGCXDIBAIJFLP-CVEARBPZSA-N 352.438 1.740 0 40 FDAB CC(C)[C@@H](NC(=O)NCC1(N)C2CC3CC(C2)CC1C3)c1nncn1C 574060043 OWCMWRIMAJWYIE-IRJKRNAASA-N 360.506 1.965 0 40 FDAB COCc1nnc(NC(=O)c2csc(NC[C@H]3CCCO3)n2)s1 44921955 BZUYTYLZNAOQDD-MRVPVSSYSA-N 355.445 1.984 0 40 FDAB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccs1 225140760 IGJWQSXWILKINO-UHFFFAOYSA-N 369.420 1.903 0 40 FDAB COc1cccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)n1 85436181 VMXOBUABXMAHOQ-QGZVFWFLSA-N 353.426 1.607 0 40 FDAB biogenic,in-vitro CN1CCO[C@H]2CCN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)C[C@@H]21 578088256 CUZWRLGYUCOSBA-HOTGVXAUSA-N 362.405 1.647 0 40 FDAB CNC(=O)/C=C/CNC(=O)c1cccn(Cc2ccccc2Cl)c1=O 618254132 FFRLDELUGWDEPA-RUDMXATFSA-N 359.813 1.582 0 40 FDAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1 96042848 YSNMROYOYGJSGR-QXAKKESOSA-N 359.470 1.604 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3cccs3)C2)CN1c1cccnc1 96240158 GUVPYKHXIDERBE-SFHVURJKSA-N 359.451 1.778 0 40 FDAB COc1ccc2nc(CO[C@H]3CN(C(=O)c4cncnc4)C[C@H]3F)[nH]c2c1 96112066 IOQYVQHPDMFFPO-CJNGLKHVSA-N 371.372 1.741 0 40 FDAB biogenic,in-vitro Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1 248081477 ANPHKAJYKGGBEH-CQSZACIVSA-N 362.455 1.775 0 40 FDAB COc1cc(N2CC3(CC[C@@H](CNC(=O)c4ccncc4)CO3)C2)ncn1 247883719 KBUYQGVCDXHDFW-AWEZNQCLSA-N 369.425 1.296 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3cnccn3)nn2C)cc1 253471501 CZBBXXVUYDLVDB-UHFFFAOYSA-N 371.422 1.558 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 257289585 PZHJBXVDZOVIJU-SNVBAGLBSA-N 359.411 1.319 0 40 FDAB Cc1n[nH]cc1-c1cncc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257266416 MCXONTXLBPIXGK-GFCCVEGCSA-N 350.448 1.161 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257237462 HGOKRMGUKLELCS-LBPRGKRZSA-N 351.432 1.223 0 40 FDAB CNc1cncc([C@@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)n1 257312365 UNOWNRJGBVNNDN-AWEZNQCLSA-N 353.386 1.884 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)nc3)[C@H](O)[C@H]2O)c1 257248167 JCKHGGZRCJMRQS-BDXSIMOUSA-N 358.394 1.070 0 40 FDAB O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccc(N2CCCC2)nn1 629266196 VUWABBPKXXBWCP-SUMWQHHRSA-N 356.430 1.698 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCc2cc(C(=O)O)ccc21 677137816 OEZGJGWZLNIHJE-UHFFFAOYSA-N 363.439 1.995 0 40 FDAB COc1ccc([C@@H]2CN(CC(=O)NCc3ccccn3)CCO2)cc1OC 1620673294 WAFPEOZNKFQPRW-IBGZPJMESA-N 371.437 1.789 0 40 FDAB CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O 299817174 JPYMZGZGKXHPPL-CPUCHLNUSA-N 372.469 1.827 0 40 FDAB in-vitro CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 96121846 PLHVTHXRFQFBJQ-UHFFFAOYSA-N 374.462 1.605 0 40 FDAB Cc1ccc(N2CCC3(CCN(C(=O)Cc4ccn(C)n4)CC3)CC2)nn1 585099833 FKOURGOBLDBVMH-UHFFFAOYSA-N 368.485 1.970 0 40 FDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2ccncc2C)C1 585277610 NOVQGCCRSYOPTI-FQEVSTJZSA-N 356.422 1.981 0 40 FDAB Cc1nc2nc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(C)C4)cc3)cn2nc1C 19657326 CMIJADXMWNQQRT-CQSZACIVSA-N 364.409 1.825 0 40 FDAB N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O)C(=O)O 5027199 ODZCNACBSGCAKO-WCBMZHEXSA-N 362.329 1.482 0 40 FDAB Cc1nc2ncnn2c(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1C 1888859556 QKZWRCQZYLFFEU-ZDUSSCGKSA-N 364.475 1.134 0 40 FDAB Cn1cc(C(=O)N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)nn1 1889208811 AHWJRNQDUBQVOU-UHFFFAOYSA-N 365.397 1.351 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@@H]1CN(Cc2ccccc2)CCO1 27673990 RQWCJRHQYXDWLX-LJQANCHMSA-N 367.449 1.434 0 40 FDAB C[C@]1(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)CC=CCC1 1565546231 XDQWNEKAVVXFCK-RDJZCZTQSA-N 370.515 1.822 0 40 FDAB CCOc1ccc(N(C(=O)[C@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1 4165338 GACVRGNHIABWDD-GOEBONIOSA-N 351.424 1.908 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)no1 4166058 RZPZYZCVOBASJW-UHFFFAOYSA-N 368.328 1.656 0 40 FDAB Cc1cc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(C)c1Cl 4338474 IOURREXEPRUHTF-UHFFFAOYSA-N 358.803 1.122 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4373618 KDQDANAOEJOPKP-AWEZNQCLSA-N 368.393 1.721 0 40 FDAB O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1cccnc1 10383271 ZFBBYZJNNBADOK-UHFFFAOYSA-N 351.403 1.596 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CC4(O)CCCC4)C3)n2)n1 585605361 CAKZYPOBRNTSDA-UHFFFAOYSA-N 357.458 1.283 0 40 FDAB CN(c1nccn(C)c1=O)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775974162 XNLIJDBGMNXXHO-UHFFFAOYSA-N 366.400 1.701 0 40 FDAB O=C(c1cnn2c(-c3ccccn3)ccnc12)N1CCC2(CC1)OCCO2 49002989 JPTITBAZIAOPPG-UHFFFAOYSA-N 365.393 1.770 0 40 FDAB COc1ccc(CCNC(=O)CSc2ncnc3[nH]cnc23)cc1OC 969086 VVHOZIUAYYQQNN-UHFFFAOYSA-N 373.438 1.821 0 40 FDAB O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 40113279 BMTRPFGQLGHUKX-UHFFFAOYSA-N 363.776 1.766 0 40 FDAB CNC(=O)c1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 30971788 ISAPBTIIQWDMQY-UHFFFAOYSA-N 358.379 1.563 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nn12 3377538 RQTZRTAQACDBIN-MRVPVSSYSA-N 370.438 1.970 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269777 BBUYUNRMQOEVPD-UHIISALHSA-N 364.295 1.952 0 40 FDAB CCOc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)c(OCC)c1 6961725 CLVSXTGTSXQQHL-JYRVWZFOSA-N 364.423 1.715 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1OC 7920879 CWCWSXFNAGZNQB-UHFFFAOYSA-N 370.471 1.821 0 40 FDAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)cc2Cl)n(C)c1=O 8012077 CTCUYVJJLJSEQM-UHFFFAOYSA-N 367.192 1.623 0 40 FDAB CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CC)cc2)CC1 32932895 PPAIFEUBHKNYRZ-UHFFFAOYSA-N 353.488 1.082 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1 22934762 FZGQARYTIXVFDO-GOSISDBHSA-N 372.513 1.870 0 40 FDAB Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)o1 107063164 PDZWBYZABDVRMN-UHFFFAOYSA-N 356.426 1.885 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c1 58218942 HLWSFLBBKGXJOU-KDOFPFPSSA-N 363.435 1.511 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 55318158 RNKMIBSJVZJGAC-ZFWWWQNUSA-N 365.499 1.703 0 40 FDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 55992854 RSUXJCSWEPGGMA-PELKAZGASA-N 373.240 1.980 0 40 FDAB O=C1NCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 58198417 UFKSJIVVSDGOHV-QGZVFWFLSA-N 374.418 1.320 0 40 FDAB Cc1cnc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cn1 58180328 VMOYLDRCDJTONJ-LBPRGKRZSA-N 355.316 1.974 0 40 FDAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(CC(=O)NC2CC2)CC1 22931353 HOLGUSLUTVOWEX-OAHLLOKOSA-N 350.507 1.110 0 40 FDAB O=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 67896875 OGLVSIURZRSWHT-YLJYHZDGSA-N 354.406 1.806 0 40 FDAB biogenic,in-vitro Cc1nn(C)c2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc12 28557405 MBEBABWRHDDRHW-UHFFFAOYSA-N 372.454 1.183 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)C[C@H]1C=CS(=O)(=O)C1 16446880 FLFFXCHGAPTJRI-CHWSQXEVSA-N 367.423 1.822 0 40 FDAB CC(C)OC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 10668051 JSIFVCILLMMHKL-UHFFFAOYSA-N 368.455 1.543 0 40 FDAB O=C1C(=O)N(Cc2ccco2)C(=O)N1CC(=O)N1CCc2ccccc21 3339403 QOTHCRURMZWQFH-UHFFFAOYSA-N 353.334 1.160 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3332718 JZDRPILUUPXMRF-UHFFFAOYSA-N 366.395 1.003 0 40 FDAB CS(=O)(=O)N1CCCc2cc(-c3csc(CC(N)=O)n3)ccc21 8042306 DHLNNNPAYXTBGG-UHFFFAOYSA-N 351.453 1.550 0 40 FDAB CC(C)OCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8040969 DWPVIXHOJNFJGB-UHFFFAOYSA-N 364.414 1.662 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCCc1ccc(Br)s1 12737443 HWNOSATYBSMABV-UHFFFAOYSA-N 359.245 1.708 0 40 FDAB C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](NS(C)(=O)=O)C1 48342256 GOPPFMVSKMJHFJ-JSGCOSHPSA-N 371.528 1.035 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 12849495 IHBPWNDVPCFJAH-CQSZACIVSA-N 374.466 1.811 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)[nH]c2C)c1 12920751 AURYXQVERANEEF-UHFFFAOYSA-N 365.455 1.707 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2c(C)noc2C)c(=O)[nH]c1=O 12935992 SOKOLGZNTCSBOY-UHFFFAOYSA-N 363.418 1.119 0 40 FDAB Cc1cc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)no1 12909483 ZIYZQNAJLJMDRH-UHFFFAOYSA-N 374.426 1.402 0 40 FDAB COc1ccc(-c2nc3ncc4c(=O)n(NC(C)=O)ccc4n3n2)cc1 13690644 HENGFMZJYGFGBY-UHFFFAOYSA-N 350.338 1.205 0 40 FDAB O=c1[nH]ncc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1Cl 14119953 DEPWBRFQONTHCP-UHFFFAOYSA-N 372.809 1.073 0 40 FDAB CCOC(=O)c1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 14242492 IFAMDZUQNHXUKQ-AWEZNQCLSA-N 369.373 1.899 0 40 FDAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 6819032 SZSSTPYWVRAFPY-UHFFFAOYSA-N 363.439 1.607 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 18526020 VTVWIEDMIHLAET-GASCZTMLSA-N 371.412 1.426 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccccc1CSC1=NCCS1 5803703 VSTBWXZODLEKOA-UHFFFAOYSA-N 367.452 1.635 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1 7396306 DCROJTWZZDSANS-UHFFFAOYSA-N 359.334 1.968 0 40 FDAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCOC)ccc21 15867610 VTRCCVOWHSANBR-UHFFFAOYSA-N 353.444 1.790 0 40 FDAB COc1cc(C)c(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1OC 8993896 NHOLVNSPSGTKMU-UHFFFAOYSA-N 369.377 1.654 0 40 FDAB COc1ccccc1Nc1nc(N)nc(CSc2nnnn2C2CC2)n1 9716413 GRSGHECLTWCTEC-UHFFFAOYSA-N 371.430 1.820 0 40 FDAB Cc1cc(N2CCOCC2)nc2sc3c(=O)n(CC(=O)O)cnc3c12 71283015 OADWSPZXOJMYEG-UHFFFAOYSA-N 360.395 1.236 0 40 FDAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3nccs3)c2C)cc1 71327142 UQJMWVMJEJAJBY-UHFFFAOYSA-N 372.410 1.943 0 40 FDAB CCOC(=O)[C@H]1CCCc2sc(CN3CCN(C(C)=O)CC3)nc21 96003832 JXJZSFBIUQKPAJ-ZDUSSCGKSA-N 351.472 1.790 0 40 FDAB Cc1ccc(CCC2CCN(CCS(=O)(=O)CCC(N)=O)CC2)cc1 9337807 VFJVAEBDWIEPPH-UHFFFAOYSA-N 366.527 1.930 0 40 FDAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N[C@@H]1CSC[C@@H]1O 9486074 SNUHTYWYVCGUSW-QGWDSQMDSA-N 364.448 1.315 0 40 FDAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc2c(c1)OCCCO2 9577752 QMGVFQWJTXTZQU-UHFFFAOYSA-N 367.365 1.841 0 40 FDAB CCN(CC)[C@H](CNC(=O)[C@H]1COCCN1C(C)=O)c1ccsc1 89967780 LLYBTISYGLBJFT-HZPDHXFCSA-N 353.488 1.495 0 40 FDAB Cn1c(=O)c(CCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 72402749 QXEGGRUCPQLZOU-UHFFFAOYSA-N 365.389 1.911 0 40 FDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C(=O)O)cc1 95425276 NCCBMUMPDYOHBE-HNNXBMFYSA-N 358.394 1.457 0 40 FDAB O=C(CCc1nnc2ccccn2c1=O)NCc1ccc2c(c1)OCO2 95478094 KZWSJUPRWPFJMR-UHFFFAOYSA-N 352.350 1.067 0 40 FDAB CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1 95987287 OZDWSCUEAPTJHQ-KMUNFCNLSA-N 372.462 1.913 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)CCc1nc2ncc(Br)cc2[nH]1 79497090 JSGKUQMDKABWGW-SNVBAGLBSA-N 366.219 1.129 0 40 FDAB CN1CCO[C@@H](C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)C1 548024969 JOLOHAKHRISFJZ-HUUCEWRRSA-N 364.515 1.287 0 40 FDAB CO[C@@H]1CCC[C@@H]([C@H]2NC(=O)N(Cc3ncnn3-c3ccccc3)C2=O)C1 517238915 JTAQOXMFCUZSTJ-FRFSOERESA-N 369.425 1.893 0 40 FDAB Cc1ncc(CN2CCN(C(=O)c3cccc4c3oc(=O)n4C)CC2)s1 120214858 OJWHQZFFBOQPRG-UHFFFAOYSA-N 372.450 1.854 0 40 FDAB O=C(NCc1ccco1)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71285354 GCBIKSCZLFMNRA-UHFFFAOYSA-N 366.333 1.950 0 40 FDAB Cc1cc(C)c(N(C[C@H](O)CN2CCOCC2)S(C)(=O)=O)c(C)c1 31903768 VAGXFJDOXINJIO-MRXNPFEDSA-N 356.488 1.071 0 40 FDAB O=C(Nc1cnc(N2CCOCC2)nc1)Nc1ccc2c(c1)OCCO2 75162016 DZQUXSQOMRGAHM-UHFFFAOYSA-N 357.370 1.728 0 40 FDAB O=S(=O)(NCCSc1ncn[nH]1)c1ccc(Br)cc1 222986484 SYTKDHIOWWUULO-UHFFFAOYSA-N 363.262 1.638 0 40 FDAB Fc1ccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)cc1 225218211 VWIYTAILYYQZKH-UHFFFAOYSA-N 360.462 1.724 0 40 FDAB C[C@@H]1CN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C[C@@H](C)O1 77100427 SFMGVWKCCBEWBZ-NXEZZACHSA-N 371.319 1.810 0 40 FDAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)n1ccc2c(cnc3ncnn32)c1=O 40372758 FULPUHBRZJYOKU-MRXNPFEDSA-N 374.360 1.789 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1C 222660968 LZFDBXJWDSEEEJ-UHFFFAOYSA-N 357.410 1.827 0 40 FDAB CCOc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(CC)CC)c2=O)cc1 222672531 RHQGWLRWERDDNZ-UHFFFAOYSA-N 361.398 1.465 0 40 FDAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCc2cccn2C)C1=O 96224307 SQJORROZETULMU-HNNXBMFYSA-N 370.409 1.161 0 40 FDAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccccn2c1=O 96114177 FPHDOCDYVCIJQN-LBPRGKRZSA-N 370.361 1.809 0 40 FDAB biogenic CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)C2=NN3CCCN=C3N2)cc1 1590479536 AARGBSWJVSKZBW-CQSZACIVSA-N 371.441 1.595 0 40 FDAB COCCNC(=O)C[C@@H]1OC[C@H]2CN(Cc3nc(C)cs3)CC[C@@H]12 96207253 NLPCBAFMGGGPRR-KFWWJZLASA-N 353.488 1.441 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@H](CC(=O)NCC2CC2)C1 247912365 YTXPSSBZGUWKQZ-QGZVFWFLSA-N 355.442 1.760 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3C[C@@H](COCC4CC4)C[C@H]32)c1 248125781 LSVIFCPRSOMAQS-RRFJBIMHSA-N 355.460 1.015 0 40 FDAB CCOC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@@H](OCC)[C@H]1OCC 253618111 RFYAWWPXHYUJQA-OXUWNYNTSA-N 369.397 1.292 0 40 FDAB O=C(c1cc2n(n1)CCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 90626724 HZTLTHQLNKUKTI-UHFFFAOYSA-N 370.409 1.352 0 40 FDAB CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)C1=C(C)OCCS1(=O)=O 1632697563 RDPRWULPMQMKQZ-IINYFYTJSA-N 357.403 1.694 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3OC)[C@H](O)[C@H]2O)c1 585262367 BKIIGENCVKBDGZ-YSHGAJCASA-N 373.405 1.375 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccc(OC)c2)Cc2ccnn21 585113083 ZGGFBNAMAJCBJX-MRXNPFEDSA-N 364.471 1.388 0 40 FDAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@](O)(CN2CCOCC2)C1 585182347 BOVBLNSEEIGSOH-HXUWFJFHSA-N 359.470 1.196 0 40 FDAB Cc1noc(C)c1CC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288338 VYEUOYPAQYLDEC-ILZDJORESA-N 356.422 1.980 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1 585099261 ZGSLXCDHKIARFU-AWEZNQCLSA-N 365.437 1.783 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 47328494 XUXPXCUHNWRLJL-UHFFFAOYSA-N 361.383 1.480 0 40 FDAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)NCc1ccccc1 5027337 HTVDMLDHTTWATO-XGYYKPKNSA-N 363.410 1.699 0 40 FDAB CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCC3)=C2)c1C 19523895 XDMZTQHFZUBRAU-UHFFFAOYSA-N 365.459 1.133 0 40 FDAB O=C(Cn1cccc(C(=O)NCC(F)F)c1=O)Nc1ccc(F)cc1 19750127 AFYKZLCIPOSMQW-UHFFFAOYSA-N 353.300 1.621 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)on2)cc1 5937816 FPCMDUFXGRDIAI-UHFFFAOYSA-N 351.384 1.445 0 40 FDAB Fc1cncnc1N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888882271 PLBNAEZYNRTJEM-NSHDSACASA-N 355.377 1.836 0 40 FDAB COc1cccc(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 14731224 VWTJOZKFNRYJOT-UHFFFAOYSA-N 366.425 1.263 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(N2CCCC2)nc1 31313428 CKXWCDKNVRAGJG-UHFFFAOYSA-N 371.441 1.163 0 40 FDAB CCOC(=O)CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C 4138407 VKCNVCGJCCVEEV-UHFFFAOYSA-N 373.438 1.735 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)NC(C)C)CC1 2055756364 JFKPIGNLCSVDTD-UHFFFAOYSA-N 353.488 1.807 0 40 FDAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(CC2CCOCC2)CC1 2055704356 UQBSYZNWVGTRSE-UHFFFAOYSA-N 374.407 1.779 0 40 FDAB CSc1nccc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n1 2086854851 YOYNTLUTNNJRNT-UHFFFAOYSA-N 354.386 1.958 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 575615378 HCGPPORURUJRCE-UHFFFAOYSA-N 372.466 1.143 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 40154809 DIPUKDHSRDLFLW-LBPRGKRZSA-N 357.366 1.989 0 40 FDAB COC(=O)[C@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 30909005 WSTJPXCWBRUFFY-LBPRGKRZSA-N 357.410 1.804 0 40 FDAB NC(=O)CC[C@H]1CCCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)C1 100725820 BASIQHTYRJTKCI-GFCCVEGCSA-N 367.409 1.294 0 40 FDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 108458909 GVKILFLPQJKUNF-YNEHKIRRSA-N 357.480 1.180 0 40 FDAB COCCNC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 4888581 NSVMOJLYMWIZRK-UHFFFAOYSA-N 351.472 1.410 0 40 FDAB CCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940578 MZQGYQMRSACLFD-UHFFFAOYSA-N 358.419 1.880 0 40 FDAB CN1C(=O)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2C1=O 32995843 IPBPAPZCWZCKKT-GFCCVEGCSA-N 352.346 1.482 0 40 FDAB COc1cc(C)c(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 52636504 REWVLTIDWFKAKT-STQMWFEESA-N 370.471 1.458 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)N2CCc3sccc3C2)c2ccccc2O1 22096860 QCVGXNJQQKOTPF-MRXNPFEDSA-N 371.462 1.646 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(Cc2cccs2)CC1 22804650 JMUBXXLPKRTCDC-CQSZACIVSA-N 372.494 1.992 0 40 FDAB COc1ccc([C@@H]2CCCN2C(=O)CCSCC(N)=O)c(OC)c1 23098192 RLUPGURDDKEMCO-AWEZNQCLSA-N 352.456 1.976 0 40 FDAB CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)S(=O)(=O)c1ccccc1 25073898 CKAABUAGKUEWMB-UHFFFAOYSA-N 360.395 1.115 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 104669826 COJOIHUFJILJHM-ZQIUZPCESA-N 365.499 1.382 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1 58182220 DKEUDQLZWVGXGW-UHFFFAOYSA-N 366.377 1.844 0 40 FDAB COc1ccc(Cl)cc1-n1nnc(C(=O)NC(C)=O)c1NC(C)=O 57509572 BQOHTWNVBBMBTN-UHFFFAOYSA-N 351.750 1.164 0 40 FDAB CCCCn1nc(C(=O)NCCCOCCOC)c2ccccc2c1=O 12602158 RVAPCTDEKZCVHF-UHFFFAOYSA-N 361.442 1.980 0 40 FDAB CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 20061880 ZEMOBUIQNSOBBA-UHFFFAOYSA-N 371.890 1.512 0 40 FDAB CC(=O)N1CCN(CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 58178229 UMWKIXQYKTYCOI-UHFFFAOYSA-N 353.488 1.054 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(CN2CCOC2=O)c1 58166748 IIDCLSJOFHLYJQ-CYBMUJFWSA-N 360.414 1.771 0 40 FDAB CN(Cc1ccncc1)C(=O)CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 58224091 WRGBTUCNWBMKQU-INIZCTEOSA-N 359.813 1.813 0 40 FDAB COc1ccc(C[C@H](C)N(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 58295764 FGNVJBNECFNYGY-LBPRGKRZSA-N 359.426 1.402 0 40 FDAB C[C@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)NC(N)=O 58209243 PQJCTNXFPIQQFC-ZETCQYMHSA-N 374.348 1.578 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1cccc2ncccc12 12797787 WDJVPJSFPZGXQI-UHFFFAOYSA-N 368.418 1.781 0 40 FDAB C[C@]1(c2ccccn2)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 58343446 AYDGSDYVDYMNSC-SCLBCKFNSA-N 359.357 1.428 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O 10457530 IJARBNKURUDCAZ-CQSZACIVSA-N 369.421 1.670 0 40 FDAB CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1 12727523 TYFPHXBLQXVSKV-UHFFFAOYSA-N 352.818 1.872 0 40 FDAB NC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 36392291 UYAYRAWDNHOVHZ-AWEZNQCLSA-N 370.409 1.939 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 408594062 RVEOZKCYOPRVBD-MDWZMJQESA-N 355.306 1.153 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3439279 RTPKTZBKVIJOTH-UHFFFAOYSA-N 353.378 1.919 0 40 FDAB Cc1ccc(NC(=O)CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1Cl 12979533 FCZLMCVQLGMPMF-CQSZACIVSA-N 373.906 1.991 0 40 FDAB Cc1cc(NC(=O)CNc2ccccc2C(=O)NC[C@@H]2CCCO2)no1 8156644 ORQDLYXFUWBNMG-ZDUSSCGKSA-N 358.398 1.942 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC(=O)Nc3ccccc31)C2=O 3595664 IYQIHLZXDOWXPZ-CWTRNNRKSA-N 370.409 1.472 0 40 FDAB CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 48618187 IBUSMBCOZJKORV-UHFFFAOYSA-N 359.879 1.171 0 40 FDAB C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(F)c1 13074347 LELXDPZYOLNEGQ-LLVKDONJSA-N 351.403 1.762 0 40 FDAB C[C@H](Oc1ccc(S(=O)(=O)NCCO)cc1)C(=O)NC1CCCCC1 408596492 WIQUXVVDJJQTEH-ZDUSSCGKSA-N 370.471 1.173 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 13637732 XYRKDFKXZBDWIS-MRVPVSSYSA-N 360.226 1.803 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(N)=O)n2CC 6174455 PKQNXPBNAVPPCH-UHFFFAOYSA-N 370.500 1.664 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5184793 XECCEDVVJXKURF-UHFFFAOYSA-N 355.354 1.069 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)c2cn3ccccc3n2)cc1 4485325 NSEQQGBEFFDFCW-UHFFFAOYSA-N 353.334 1.916 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc2c(c1)OCCO2 14124936 ZYVZGIGQNIWJAD-INIZCTEOSA-N 367.405 1.309 0 40 FDAB C[C@H](OC(=O)c1cnccn1)C(=O)Nc1ccc(N2CCOCC2)cc1 4504227 IQLRDJBGIRKFGV-ZDUSSCGKSA-N 356.382 1.497 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)NCCCOc1ccccc1F 8771525 YKXSTBNCFXVCBH-UHFFFAOYSA-N 356.357 1.516 0 40 FDAB COc1cccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)c1 7120892 VPTFWURXGCZYGL-HNNXBMFYSA-N 357.362 1.808 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3ccccc32)c1 7291235 JOKBRTPCWQMLQK-UHFFFAOYSA-N 369.377 1.700 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 7679199 SDEWESFFBOWEDB-ZIAGYGMSSA-N 362.426 1.758 0 40 FDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NCCCN1CCCC1=O 9113241 GPBVQVLZFICCJG-UHFFFAOYSA-N 359.455 1.693 0 40 FDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc2c(cc1Cl)OCCO2 97013463 LRSWFGXICKICLV-JTQLQIEISA-N 370.818 1.516 0 40 FDAB CC[C@](C)(CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)O 97022058 CPJBNRBNWOWMLZ-MRXNPFEDSA-N 354.428 1.375 0 40 FDAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1OCC(N)=O 72403589 WEZJWBKAAWBREK-LLVKDONJSA-N 374.397 1.754 0 40 FDAB O=C(CCc1ccncc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 95999358 MHAMQNCELWYDII-UHFFFAOYSA-N 371.462 1.618 0 40 FDAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCN2CCCC2)c1 30850753 YORWFXVDFWXJRX-UHFFFAOYSA-N 359.879 1.927 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1N1CCCCC1 217634289 LXYZXSSINBTDMR-ZDUSSCGKSA-N 368.455 1.832 0 40 FDAB O=S(=O)(c1c[nH]cn1)N1CCO[C@@H](c2cccc(Br)n2)C1 72382947 IHESHZVDSRVNBL-SNVBAGLBSA-N 373.232 1.329 0 40 FDAB CN(C)[C@H](CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 32989051 ZXPFRNWYIGOPPS-OAHLLOKOSA-N 358.442 1.270 0 40 FDAB COC(=O)[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)C 71335354 MKBYQRLQFUWSNQ-QGZVFWFLSA-N 361.373 1.363 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224190465 UOMRVPXIVBKPCT-UHFFFAOYSA-N 363.443 1.288 0 40 FDAB COC(=O)[C@H](Cc1cn(Cc2ccccc2)nn1)NC(=O)OC(C)(C)C 83317408 NODZTFLYLVBOKM-HNNXBMFYSA-N 360.414 1.935 0 40 FDAB CCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 224154752 JPRGITPNLXZTSH-UHFFFAOYSA-N 362.455 1.954 0 40 FDAB Cc1cc(NC(=O)Cn2ccnc2C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 331492053 NBEAESBRTNOGTG-ZDUSSCGKSA-N 365.459 1.510 0 40 FDAB CC(C)CCN1C[C@H]2CCN(C(=O)c3ccnnc3)CC[C@H]2S1(=O)=O 96263759 BXUYYJUFOMCYEN-HZPDHXFCSA-N 366.487 1.389 0 40 FDAB c1ccc(CN2CCOC[C@@]3(C[C@H](CNc4ncccn4)CO3)C2)nc1 96240494 UJIVQZOAGQGYIW-VQIMIIECSA-N 355.442 1.591 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)NCC[S@](C)=O)[C@@H]31)O2 248335472 MYCFJOVNBCZKKW-XQYBZBSFSA-N 361.463 1.850 0 40 FDAB CCc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)c1 252140019 GSDLPPZTQOCNCB-HSFUPAIVSA-N 365.426 1.370 0 40 FDAB CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cccc(C)c3)C2)CC1 257285670 PIEULWWYDQCNNU-HXUWFJFHSA-N 359.470 1.173 0 40 FDAB CN(C)c1ncc(C(=O)N2CCC(c3ccn4nccc4n3)CC2)cn1 257333801 YDCMQYNFLMLPKH-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB CN(C)Cc1cnc(CC2CCN(C(=O)Cc3cccnc3)CC2)cn1 257212944 CFNMPDGREPYHIU-UHFFFAOYSA-N 353.470 1.957 0 40 FDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 547900916 DFGHZXBUVGOAHY-XDQVBPFNSA-N 355.460 1.858 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2ccnn2-c2ccccc2OC)C1 643757337 MPHWDXWDVAMEGM-IBGZPJMESA-N 358.442 1.344 0 40 FDAB C[C@H](C(=O)N1CCCN(C(=O)c2ncc(F)cc2F)CC1)n1cccn1 1772702901 JIHGEIAAOVVCDW-GFCCVEGCSA-N 363.368 1.492 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)c3ccccc3-n3ccnn3)C[C@@H](C)O2)o1 619286233 CMIVSWREUCJIHN-IAQYHMDHSA-N 354.370 1.561 0 40 FDAB Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2O)CCO1 632429654 PERKTDCVEXZHQD-ZYHUDNBSSA-N 371.846 1.978 0 40 FDAB Cc1c(C(=O)N2CC3(C2)CN(C)[C@H](C(=O)N(C)C)CO3)oc2ccccc12 575403248 GBNDWVZQZJHFMS-HNNXBMFYSA-N 371.437 1.355 0 40 FDAB O=C(CCn1ccccc1=O)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585275643 HPYMIOSOEOTYGE-AEFFLSMTSA-N 358.413 1.830 0 40 FDAB Cc1nc(CNC(=O)c2cnc(C3CCN(C)CC3)[nH]2)ccc1[C@H](C)O 685942979 ZFTHTWINHKCVQF-ZDUSSCGKSA-N 357.458 1.906 0 40 FDAB Cc1ccc(=O)n([C@@H](C)C(=O)N2CCN(CCc3ccccc3)CC2)n1 44395457 UEJRLFAPVVMCIH-KRWDZBQOSA-N 354.454 1.500 0 40 FDAB CCn1nc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c1C(=O)OC 95467870 BLOJXPAQEPCNGW-UHFFFAOYSA-N 357.370 1.280 0 40 FDAB CN(Cc1ncnn1C)C(=O)c1ccccc1I 72305558 PINJOMPLLKDDHJ-UHFFFAOYSA-N 356.167 1.692 0 40 FDAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(Cn2cncn2)cc1 12991344 BJUUBRGAWZLRHC-UHFFFAOYSA-N 361.365 1.659 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)nc(N2CCOCC2)n1 19660378 UGKWHYLFOAEELY-OAHLLOKOSA-N 354.410 1.875 0 40 FDAB COCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(C1CC1)C(=O)CC2 19698479 KDXSKIUXAFMVKS-HNNXBMFYSA-N 358.442 1.927 0 40 FDAB COC(=O)c1ccc(CCC2CCN(C(=O)CN3CCOCC3)CC2)cc1 19592535 ADDAEFSSJYLOQA-UHFFFAOYSA-N 374.481 1.977 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(c4ncccn4)CC3)nc(C)n2)n1 1888866694 LEICMLSZXGBNMP-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1nc2ncnn2c(N2CC(CN(C)c3nc(C)c(F)c(O)n3)C2)c1C 1888897032 MDMUPQHVFYEOEA-UHFFFAOYSA-N 372.408 1.257 0 40 FDAB CN([C@@H]1CCN(c2nccn3nccc23)C1)S(=O)(=O)Cc1ccccc1 1888904182 LIPSSGWUEFANFK-MRXNPFEDSA-N 371.466 1.770 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4nncs4)CC3)n2)n1 1776000986 SOZXZGHGVHJIAY-UHFFFAOYSA-N 357.443 1.739 0 40 FDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)CCc1cncnc1)CC2 1614927349 KHCFJKNSWSYNTM-IBGZPJMESA-N 360.458 1.429 0 40 FDAB COC(CN(C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)OC 4850724 IXRHYDVKKFIVCD-UHFFFAOYSA-N 368.455 1.151 0 40 FDAB O=C(COc1ccccc1F)NCc1nnnn1-c1ccc(F)c(F)c1 9570919 HBIAEJICYVXRPK-UHFFFAOYSA-N 363.299 1.775 0 40 FDAB O=c1ccc(-c2ccccc2)nn1CCCNS(=O)(=O)c1cccnc1 11696684 VEUVBMPEKLKJCY-UHFFFAOYSA-N 370.434 1.674 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)no1 17025619 DIAKJCYPAPFEPL-INIZCTEOSA-N 372.425 1.501 0 40 FDAB Cc1csc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)c1 2055795752 QMVQFBFPTMMSQF-GOSISDBHSA-N 373.482 1.974 0 40 FDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccnn2C)CC1 2055734489 AXYWYSNZXYLEAN-UHFFFAOYSA-N 373.432 1.734 0 40 FDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734714 NRBSZIMDGCXMIR-ZDUSSCGKSA-N 360.414 1.399 0 40 FDAB CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)cc3C)c2c1=O 22768167 SRIDGIJMMMGWIR-UHFFFAOYSA-N 351.410 1.822 0 40 FDAB CN(C)c1nccc(N2CCN(c3ncc(Br)cn3)CC2)n1 301375401 VYGTXNYYVAHJDA-UHFFFAOYSA-N 364.251 1.422 0 40 FDAB Cc1ncsc1C(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 19562320 ITLDHPYTORFVTL-LBPRGKRZSA-N 356.455 1.703 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc(O)cc1=O 13773677 KCMNQAMMBSUHKF-UHFFFAOYSA-N 370.228 1.979 0 40 FDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(O)c1 40287067 BNMFOTSXGXVVEI-UHFFFAOYSA-N 366.377 1.358 0 40 FDAB O=C(Cc1ccccc1)Nc1nonc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 100210569 OYPBQBIDUZYEKM-BETUJISGSA-N 354.366 1.930 0 40 FDAB COC(=O)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(Cl)cc1 30992283 XLCDJEDOYWLGLT-ZDUSSCGKSA-N 351.790 1.669 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 7479011 SAOKMNVOSWSLLL-LJQANCHMSA-N 354.410 1.547 0 40 FDAB C[C@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2ccccc21 11685396 JXAPUHNNJCYVEK-JTQLQIEISA-N 368.422 1.829 0 40 FDAB O=C1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3Cc2ccoc2)[C@H]1O5 1565949 JZHGDRXAGAFPQB-VRXWPRPYSA-N 367.401 1.909 0 40 FDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(Cc3ccc(F)cc3)c2=O)c2ccccc21 101393527 YITPQTNCIQXAMZ-HNNXBMFYSA-N 368.320 1.689 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@H]2O1 101359651 DJQTYOPQIZTKNN-NNFUDEMPSA-N 357.362 1.093 0 40 FDAB O=C(Nc1ccccc1)C(=O)NC1(CO)COC(c2ccccc2)OC1 4593648 IXXZEAWYZMNVHK-UHFFFAOYSA-N 356.378 1.218 0 40 FDAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4nncn4c3)C2)n1 101857464 CLXAOJLFPAWERX-CQSZACIVSA-N 364.409 1.924 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108530751 UVJMAIPXTOHOBO-OAHLLOKOSA-N 354.414 1.533 0 40 FDAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2OC)cc1 32755337 MHOPZXHVWVIHMX-UHFFFAOYSA-N 371.436 1.679 0 40 FDAB COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2nc3ncccn3n2)cc1 21561137 OSTNMSMQQYKAJT-LLVKDONJSA-N 371.422 1.708 0 40 FDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 21733963 QERPJKMTWSUVFP-GOSISDBHSA-N 365.405 1.524 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c12 102613070 KQDWBQAGZRGCRP-QPYBSBGSSA-N 366.299 1.952 0 40 FDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 100179816 FBLLSGFZTOAHFL-NFYPIIHDSA-N 370.449 1.925 0 40 FDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br 37575923 FGWKPSOHBAGUNQ-VIFPVBQESA-N 351.197 1.227 0 40 FDAB CCCc1nc(CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 54983770 LYZVGPDXIDZCPN-INIZCTEOSA-N 372.425 1.649 0 40 FDAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 101510131 MOVXILPHJSYAAV-MJBXVCDLSA-N 374.503 1.621 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)c1 12583845 ULADZUYYBZAJHM-UHFFFAOYSA-N 357.395 1.974 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NOCc1ccccc1 25285242 BXTOAFRRMMUIBN-UHFFFAOYSA-N 363.439 1.671 0 40 FDAB CSCC[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O 1750412 UACLIWBIBXDRJS-CYBMUJFWSA-N 365.407 1.803 0 40 FDAB biogenic NC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccccc3F)co2)CC1 36353044 SEHHKEGPCLVNEW-UHFFFAOYSA-N 374.368 1.695 0 40 FDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2n[nH]c(N)n2)n1 10715821 GEVWDTWEUSCLTP-UHFFFAOYSA-N 359.419 1.019 0 40 FDAB CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 80739981 MKZBHRRZLUOUFT-UHFFFAOYSA-N 371.478 1.309 0 40 FDAB COCCCNC(=O)COc1ncnc2ccc(Br)cc12 7779318 YZBXTEMMZJNIFE-UHFFFAOYSA-N 354.204 1.924 0 40 FDAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 13006175 XZVKEJWTEOQBLM-UHFFFAOYSA-N 353.378 1.717 0 40 FDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccccc1 8708626 DABSYNQCRDRZNQ-KRWDZBQOSA-N 370.405 1.413 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnnn1C1CCCC1 8724027 QCJPDGBVJLNAOT-UHFFFAOYSA-N 354.480 1.253 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F 4269849 RMBQHRPHRFGDRH-VAOFZXAKSA-N 354.375 1.697 0 40 FDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cn1 8017639 GGJCNEDMYRFOAV-UHFFFAOYSA-N 353.375 1.489 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccccc1F)C2=O 8273316 QZSOZPORCIMBGE-UHFFFAOYSA-N 361.417 1.985 0 40 FDAB COc1ccc(CC(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1F 8249991 JSWIPZPDVNABLW-UHFFFAOYSA-N 368.386 1.672 0 40 FDAB Cc1ccc(S(=O)(=O)NCCCNC(=O)CN2CCCCC2)cc1 6480056 GEAWSLHQZULYEZ-UHFFFAOYSA-N 353.488 1.266 0 40 FDAB COc1cc(OC)c(OC)cc1/C=C/C(=O)NCC(=O)NC(C)(C)C 6986270 ABQPWVQZRJZGJB-BQYQJAHWSA-N 350.415 1.757 0 40 FDAB COCCCn1c(SCc2cc(=O)n3cccc(C)c3n2)n[nH]c1=O 7219489 JFNAPGDNFVASIE-UHFFFAOYSA-N 361.427 1.217 0 40 FDAB CO[C@H](C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 69521498 ITEUNTONFDBXJU-INIZCTEOSA-N 362.407 1.838 0 40 FDAB Cn1ccnc1COc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 96003381 WISFCTXSEXHRIX-CQSZACIVSA-N 368.437 1.740 0 40 FDAB C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 96012563 HENSCPNLCZJJBC-YTEVENLXSA-N 358.485 1.201 0 40 FDAB Cc1cnc([C@@H](C)NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)s1 96000278 PAUXBPWTFFASFC-GFCCVEGCSA-N 365.480 1.957 0 40 FDAB C[C@@H](c1ccc(F)c(F)c1)N1CCN(CCN2C(=O)CCC2=O)CC1 72308437 PXLOVCONCJRDNG-ZDUSSCGKSA-N 351.397 1.792 0 40 FDAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)n1 79494732 VGLJWILZQIIXGR-OAHLLOKOSA-N 360.439 1.754 0 40 FDAB COc1ccc([C@H](CNC(=O)Cn2ccccc2=O)N2CCOCC2)cc1 69352320 ISXHJEHWSYZJTC-SFHVURJKSA-N 371.437 1.047 0 40 FDAB CN1CCN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 408704474 NYZRTWQXRFJHRM-UHFFFAOYSA-N 373.478 1.903 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 32641349 DDXOLTLYXSKTTC-FZMZJTMJSA-N 373.858 1.460 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218123087 ZNPNBRPOGYECEM-BRWVUGGUSA-N 367.854 1.978 0 40 FDAB Cc1cc(C)nc(Nc2cnc([C@@H]3CCCN(C(CO)CO)C3)cn2)n1 72363672 RJZYGFREVTVNTE-CQSZACIVSA-N 358.446 1.160 0 40 FDAB C[C@@H]1CN(C(=O)c2cn3cc(-c4ccc(F)cc4)n(C)c(=O)c3n2)CCN1 72478373 JXZYTAFHVGGGMR-GFCCVEGCSA-N 369.400 1.273 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccccc2F)n1 224183491 CDZHPSWSYLGDNY-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB CN(C)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O 222669239 IJFSGPLHKDHKDF-UHFFFAOYSA-N 358.181 1.592 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96049567 NYRNEDUEEWGXFF-LJQANCHMSA-N 353.426 1.631 0 40 FDAB Cc1nc(CN2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)cs1 96062940 PGMQDYDAEDRXGA-UHFFFAOYSA-N 350.488 1.354 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cc(C)on1)CC2 247954425 ZLZNZEZJVGIKJC-AWEZNQCLSA-N 357.476 1.103 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c1C(F)F 583918896 ANUHTANVFPWMSI-SECBINFHSA-N 351.375 1.542 0 40 FDAB CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccc(F)cc1 257325306 WSJMQCDYCAHUIS-BRWVUGGUSA-N 356.463 1.824 0 40 FDAB CCc1nccn1-c1ccnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 257322126 WERPJODPARFUTC-AWEZNQCLSA-N 363.487 1.816 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@H](C[C@@H](C)C(=O)O)C2)c1 585091627 WUAKKBUEAFKKLR-CHWSQXEVSA-N 368.455 1.605 0 40 FDAB Cc1nc2cc(O)nn2c(C)c1CC(=O)NC[C@@H]1C[C@H]1c1cccnc1 614424732 OPTMCBSVPGLHTN-HOCLYGCPSA-N 351.410 1.909 0 40 FDAB COc1cccc(CC(=O)N2CCN(Cc3cnc4ccnn4c3)CC2)c1 624193352 YHYRJFWUOBYJAD-UHFFFAOYSA-N 365.437 1.625 0 40 FDAB CCn1cc(O[C@@H]2CN(c3ncnc4c3ncn4C3CC3)C[C@H]2O)cn1 624421082 PLFDPIIEKMMFEF-ZIAGYGMSSA-N 355.402 1.006 0 40 FDAB O=C(NCc1nnc2n1CCOC2)NC[C@@H]1C[C@H](c2ccccc2)CO1 661063431 ULJZJWLSELFSKU-GJZGRUSLSA-N 357.414 1.180 0 40 FDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(CC(=O)O)cs2)C1 675945630 WUKNRPMIKQYZAY-QWRGUYRKSA-N 353.444 1.993 0 40 FDAB CCc1nsc(N[C@H]2CCCCCN(C(=O)c3nccnc3N)C2)n1 1615610484 IQAVQOCQZZVIGV-NSHDSACASA-N 361.475 1.970 0 40 FDAB CCC(C)(C)NC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)COc1cccc(C)c1 1615612511 ZJJZESRGUAXNAH-OXFYSEKESA-N 373.497 1.868 0 40 FDAB O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1)c1ccno1 575406531 YJCZUSRKOQHTOD-ZDUSSCGKSA-N 371.393 1.431 0 40 FDAB COc1nnc(NC(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)s1 666846427 NIXYMQAAKNIEAS-ZYHUDNBSSA-N 364.431 1.805 0 40 FDAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 54193581 XSYWDQWXBYZLCO-XYZMPQSBSA-N 357.410 1.472 0 40 FDAB CC[C@@](C)(NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)O 95969979 SHIOSWUOPOMJGM-QGZVFWFLSA-N 360.370 1.330 0 40 FDAB Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 671133348 FEAKIWYMZVFTGN-QGZVFWFLSA-N 355.442 1.067 0 40 FDAB Cn1c(CCNC(=O)N2CCOCC2)nnc1SCc1ccccc1 5001739 KKPPCCSMZHATPB-UHFFFAOYSA-N 361.471 1.692 0 40 FDAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 11582390 UXEDYYWVDVLBNH-QCNOEVLYSA-N 355.460 1.943 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCc2nc3ccccc3c(=O)n2CC1 12184001 AETNAPOJBRXXDC-UHFFFAOYSA-N 374.404 1.226 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268079 NWZQWNWMXWZZBP-STQMWFEESA-N 355.398 1.382 0 40 FDAB O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCNCC1)c1ccc(Cl)cc1 19358883 KFCVGEQJNNKFAJ-HOTGVXAUSA-N 357.907 1.835 0 40 FDAB Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)ccnc2n(C)c1=O 4942159 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HXDULTQBJBBBJZ-ZDUSSCGKSA-N 359.469 1.780 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccco2)cc1 77111325 OVNBYTLLUCMXPA-CQSZACIVSA-N 352.412 1.383 0 40 FDAB O=C(CSc1nnnn1C1CC1)Nc1cccc(CN2CCCC2=O)c1 40072304 ABDNLBKIUOGMRM-UHFFFAOYSA-N 372.454 1.861 0 40 FDAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc2nccnc2c1 100893955 IPBAMIJCLZMBGW-BMEPFDOTSA-N 362.389 1.766 0 40 FDAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(Cc2ccccc2)CC1 20572695 LGJXKGUFVDBTEY-UHFFFAOYSA-N 364.405 1.174 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2c(c1)OCCO2 2622673 ZCVMOUSKRQPBDE-UHFFFAOYSA-N 359.382 1.651 0 40 FDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)NCC(F)(F)F)CC2)c1=N 101396120 QPOYXLFPRBUYIL-UHFFFAOYSA-N 363.340 1.381 0 40 FDAB COc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1OC 20721992 IASCNJYVBAYMCO-UHFFFAOYSA-N 353.382 1.652 0 40 FDAB biogenic CC[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCCOC 4967084 HBSCUIMLMBPELV-GXTWGEPZSA-N 366.439 1.574 0 40 FDAB Cc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)n1 6968629 XSHXKFUUWBOMCY-UHFFFAOYSA-N 362.459 1.082 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 7595552 NZGPFIVABXBMFD-UHFFFAOYSA-N 351.362 1.623 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 7637446 RCXLHQSCZCQNLH-LBPRGKRZSA-N 351.472 1.631 0 40 FDAB Cc1ccccc1C(=O)NCCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32768822 PAJRRKZENOIFIK-SFHVURJKSA-N 365.433 1.554 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32754832 PHOWHZRWXJZQTI-MNOVXSKESA-N 350.337 1.647 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(Cl)cc1 8497189 CKNUKQIWAASFLC-UHFFFAOYSA-N 360.863 1.745 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1F)c1ccccc1F 8810629 OYZCKHFPSBIRRR-UHFFFAOYSA-N 370.377 1.878 0 40 FDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)n[nH]1 9353837 LFOLOCGBSNVQAO-UHFFFAOYSA-N 365.369 1.699 0 40 FDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCc2ccccc2C1 9704732 ZKLPHAAOZNGDJA-UHFFFAOYSA-N 370.430 1.671 0 40 FDAB COc1ccc([C@@H](CNCC(=O)NCc2ccco2)N2CCOCC2)cc1 22038376 LSGYSEWSSVCILS-LJQANCHMSA-N 373.453 1.568 0 40 FDAB Cc1ccc(NC(=O)C2CCN(C(=O)CN3CSCC3=O)CC2)nc1 46808238 DPNKRBJSUHVOAG-UHFFFAOYSA-N 362.455 1.100 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 22697854 KKDGDBVGTBWAAF-INIZCTEOSA-N 355.394 1.126 0 40 FDAB Cc1ccc(CNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1 22931506 YSTLPKNDUJIEAV-UHFFFAOYSA-N 372.513 1.241 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 23149614 DWLGUXGSZSSDRL-UHFFFAOYSA-N 356.407 1.982 0 40 FDAB COc1ccc(C)cc1CN1CCN(C(=O)CN2CCSC2=O)CC1 24082930 ZQWGQBFNBUVVIN-UHFFFAOYSA-N 363.483 1.817 0 40 FDAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 25027279 IQAQRGHBSMWZPQ-HIFRSBDPSA-N 362.426 1.469 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 56100001 LSZGTHVVYAVHEV-AWEZNQCLSA-N 362.455 1.823 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1 101509236 KWCBKJHLPZHEKH-ZXFNITATSA-N 350.367 1.081 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216740 HJRVCACADMYWDC-CYBMUJFWSA-N 371.414 1.973 0 40 FDAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 57525891 ACHHWCIJDZGPGD-OAHLLOKOSA-N 373.453 1.505 0 40 FDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58017438 REKCXMJSLUFEGQ-GNFNDJEDSA-N 368.499 1.012 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(NCC(F)(F)F)s1 58193235 DMEXCVYCBHRZSE-RXMQYKEDSA-N 357.383 1.839 0 40 FDAB CCN(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 3361424 VQXFIUCXUKRUQQ-UHFFFAOYSA-N 353.382 1.951 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccsc2)c1 12778766 IKXJQCKWUSNTJS-UHFFFAOYSA-N 352.437 1.910 0 40 FDAB COC(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 36360493 VOLZRSYFEBATJO-UHFFFAOYSA-N 358.394 1.514 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1 10795528 WQERYWCXWWXRFK-SNVBAGLBSA-N 366.370 1.657 0 40 FDAB O=C(/C=C/c1cccs1)NC(=S)NNS(=O)(=O)c1ccccc1 2316499 LCRMSPNHRCEBRH-CMDGGOBGSA-N 367.477 1.646 0 40 FDAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CC3)n2N)cc1 12721782 YFNSRVSHTYDXDZ-SNVBAGLBSA-N 360.443 1.436 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC[C@@H]1CCCO1 3420742 PODGVWGIDQSUKP-LIRRHRJNSA-N 357.410 1.065 0 40 FDAB COc1ccc(C)cc1NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 12908791 LQNWYVPBDQWHTL-UHFFFAOYSA-N 366.377 1.451 0 40 FDAB CC(C)(CNC(=O)c1cc(Br)ccc1O)N1CCOCC1 12947301 KNPAXJDMIDRCKF-UHFFFAOYSA-N 357.248 1.995 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1 13270302 XJGYYXRMTKNFEE-UHFFFAOYSA-N 374.462 1.934 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)OC)cc(C)c1C 24725671 XOFKCUKMNMLRTR-AWEZNQCLSA-N 370.471 1.529 0 40 FDAB COC(=O)[C@@H](NC(=O)c1cc(=O)c(OCc2ccccc2)cn1C)C(C)C 70666207 ZKLKSEPIBQZEGV-SFHVURJKSA-N 372.421 1.892 0 40 FDAB biogenic Cc1nc(COc2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)no1 14117074 KGJGXRKBPYGQFL-ZDUSSCGKSA-N 365.411 1.216 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 14137235 CDIRLQXJYDONJE-CQSZACIVSA-N 371.528 1.455 0 40 FDAB Nn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 6508696 XWOGGUKYTMSGAO-UHFFFAOYSA-N 351.395 1.583 0 40 FDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCCCO)n3)ccc12 20728457 HKNOGYYZDUIXFO-UHFFFAOYSA-N 359.338 1.176 0 40 FDAB biogenic CN(C)c1ncccc1C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005412 XMMGGPRLNWEGPK-UHFFFAOYSA-N 360.439 1.414 0 40 FDAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(N)c2)CC1 67800778 COOFCDNAEJYSTF-UHFFFAOYSA-N 355.460 1.947 0 40 FDAB O=C(Nc1nccs1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 15905589 MYRUJLQRUFUBIV-HPTBWKMGSA-N 357.391 1.657 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1=O 7653446 BVHXKLQJPLRLRA-LJQANCHMSA-N 374.441 1.387 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1 71328892 JUODHMCERWOAFR-OAHLLOKOSA-N 353.426 1.940 0 40 FDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1C 22587436 JNMPIJGUGJAIAI-SFHVURJKSA-N 372.469 1.414 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1C[C@@H]1C1CC1 84445286 ZPDOTAHXYXJLJZ-ZIAGYGMSSA-N 370.496 1.431 0 40 FDAB C[C@H]1CCCC[C@@H]1OCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 84692122 RVFOMDQDZRPKLS-BBRMVZONSA-N 360.410 1.828 0 40 FDAB CC(C)[C@H](NC(=O)c1cc(F)ccc1I)C(N)=O 78655540 DZZNDIAWJANZRR-JTQLQIEISA-N 364.158 1.670 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 79020003 SQAOWXDIUVTZLL-DLBZAZTESA-N 367.405 1.149 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306136977 QIBHUKAFPNVKBH-RDJZCZTQSA-N 370.428 1.573 0 40 FDAB COCCN1C[C@H](COC)C2(CCN(c3cc(C)nc4ncnn34)CC2)C1 306131164 JXYWAVGNAGJRNP-MRXNPFEDSA-N 374.489 1.244 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nnc(C)n2C2CC2)C1 547683229 HKCJYUDJEHUNJT-QGZVFWFLSA-N 360.487 1.924 0 40 FDAB Cc1cc(N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)n2ncnc2n1 306136491 PUYNSBJKPFUTTL-CYBMUJFWSA-N 354.439 1.971 0 40 FDAB CCN1CCN(C(=O)NC[C@H](c2ccsc2)c2ccco2)C(=O)C1=O 669570561 PQADAZTTXCIJMQ-CYBMUJFWSA-N 361.423 1.873 0 40 FDAB CC(=O)NC[C@@H]1CN(Cc2ccc(C(=O)O)cc2Br)CCO1 563276671 BBHNRYOEQONIMT-CYBMUJFWSA-N 371.231 1.484 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(OC)c2)cc1 40268669 YTERHIWVIMCLDF-UHFFFAOYSA-N 361.383 1.480 0 40 FDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccn1 44919390 CAUZXJZHVUCEKA-UHFFFAOYSA-N 353.426 1.548 0 40 FDAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccn1 225512940 RGGIPGMBZMHWPN-ZDUSSCGKSA-N 363.439 1.561 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 225399786 YRNPXZKRAOVKHP-ZDUSSCGKSA-N 356.382 1.565 0 40 FDAB Cc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222667614 BBKFNQOGZRMVLP-UHFFFAOYSA-N 363.801 1.782 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4cccnc4)CCO3)C2)no1 96209535 ZDTNRLLRHIWTFA-QFBILLFUSA-N 356.426 1.932 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1 96207651 CZLNBLHPVHPXLW-DLBZAZTESA-N 356.463 1.889 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1 96041269 GYKDBPKLOCUHGE-IPMKNSEASA-N 352.438 1.772 0 40 FDAB CN(C)C(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(c1ncccn1)C2 96056099 DGUSHPBZKKATFN-PXNSSMCTSA-N 369.469 1.876 0 40 FDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(C)s3)C2)C1 96049485 PAOGKOIQZDVXLV-GOSISDBHSA-N 351.516 1.717 0 40 FDAB COc1ccc(CN2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)cc1 96059602 LWEMBHWIZJGLNS-UHFFFAOYSA-N 365.437 1.903 0 40 FDAB O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1)N1CCCC1 96243684 KKGYFHDEJNDEKM-KRWDZBQOSA-N 370.453 1.989 0 40 FDAB O=C(Cc1ccc2c(c1)OCO2)N1Cc2ccnn2[C@H](CN2CCCC2)C1 247860532 MHZYLUXIRFUVRY-QGZVFWFLSA-N 368.437 1.834 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 247912491 AADMRZDUUJYHTC-CVEARBPZSA-N 355.460 1.138 0 40 FDAB CNc1nccnc1[C@@H]1CN(Cc2ccc(OCC(=O)O)cc2)CCO1 257270023 MSMQPRYSLPMUJT-HNNXBMFYSA-N 358.398 1.555 0 40 FDAB CN(C)c1ccc(CN2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccnn2C)cn1 1775959646 MTPLFQJODSJGML-GUYCJALGSA-N 357.414 1.446 0 40 FDAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N[C@H](CO)c3ncc[nH]3)c2)C1=O 1672351040 CQBJTNDYNSJYHQ-QWHCGFSZSA-N 372.385 1.100 0 40 FDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(C(=O)c1cccc(O)c1)C2 575404050 PKANTGGPBISROQ-AWEZNQCLSA-N 350.440 1.197 0 40 FDAB COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 585101961 NGVZZGOTVXXJOX-QFBILLFUSA-N 362.474 1.389 0 40 FDAB CCOC(=O)[C@@H]1CN(C[C@@H]2CCOC2)C[C@]12COc1ccccc1C(=O)N2 72334291 BHSIHQBSOUVKMB-UVFQYZLESA-N 374.437 1.079 0 40 FDAB CCN(C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 96000260 ROOGQBWVMZRJIW-OAHLLOKOSA-N 365.499 1.114 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CC(=O)O)c2cccs2)C1 1614996149 FHGVKWRZERUTFY-GHMZBOCLSA-N 360.457 1.052 0 40 FDAB Brc1cnc(N2CCN(c3ncnc4cc[nH]c34)CC2)nc1 1775974011 VNESWNKMWMVZPI-UHFFFAOYSA-N 360.219 1.837 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(F)cc1 5272648 IIVZLUJWENTPKV-UHFFFAOYSA-N 362.382 1.677 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 17073026 VDHKLNURAYLARL-QCMRWSPLSA-N 352.412 1.787 0 40 FDAB Cc1ccn2cc(C(=O)NCCS(=O)(=O)N3CCCC[C@H]3C)nc2c1 19238195 FMTLUKJNSKZZHN-CQSZACIVSA-N 364.471 1.577 0 40 FDAB O=C(CCn1cccn1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 19402529 VTDGOQITIBWPKA-CQSZACIVSA-N 364.409 1.435 0 40 FDAB CCc1cc2c(=O)n(CC(=O)N[C@H](C)c3cnn(C)c3C)cnc2s1 19714921 LVQXCKJBRVXPEH-SNVBAGLBSA-N 359.455 1.940 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1CC[C@H](C(=O)O)CC1 101683903 HXGCVOPEKUHPEP-OKILXGFUSA-N 361.442 1.519 0 40 FDAB COc1cc(C(=O)OC[C@H]2COC(=O)O2)ccc1OC[C@@H]1COC(=O)O1 627276243 POWPBPYJLQWUSG-MNOVXSKESA-N 368.294 1.302 0 40 FDAB CN1CCS(=O)(=O)C[C@H]1CC(=O)N(Cc1ccccc1F)C1CC1 644254141 XXXODUVGYDSNIW-OAHLLOKOSA-N 354.447 1.436 0 40 FDAB O=C(c1cccc2c1OCCO2)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888879557 DVMZIFRJTDVROM-KBPBESRZSA-N 352.394 1.456 0 40 FDAB COC(=O)c1cc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)oc1C 22137125 VJAHKRPANAFWNS-UHFFFAOYSA-N 371.393 1.687 0 40 FDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1cnc2ccccc2n1 245060707 PXEBCYKDCJUYMT-UHFFFAOYSA-N 374.408 1.598 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3csnn3)C2)O1 1614931790 FHVZYJASVCVPQW-CZUORRHYSA-N 354.476 1.269 0 40 FDAB CC1=NN(Cc2cccc(C)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148003 KJVVZFQUFXPIPR-ZDUSSCGKSA-N 366.425 1.699 0 40 FDAB COc1ccccc1[C@H]1N=C(N2CCOCC2)Nc2nc(C)cc(=O)n21 8992129 FOHPXMCZAXIYSQ-INIZCTEOSA-N 355.398 1.221 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2cc(OC)cc(OC)c2)C1 2055772721 UMXNEFHECQXJIK-IBGZPJMESA-N 358.442 1.638 0 40 FDAB O=C(Cc1cccc(F)c1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731606 JICDHQJPHLFKIV-JKSUJKDBSA-N 373.428 1.597 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2ccnc(C)n2)C1 575611683 FXMCSAGZUPOCDL-ZDUSSCGKSA-N 367.402 1.775 0 40 FDAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 5529865 JYGXADMDTFJGBT-LRIWQSHXSA-N 362.466 1.782 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 40007604 PPFQMIOKYMYYON-UHFFFAOYSA-N 358.423 1.459 0 40 FDAB COCc1nnc(NC(=O)CCCn2nnc3ccccc3c2=O)s1 40286755 LSNSERZUTDOGJN-UHFFFAOYSA-N 360.399 1.208 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100304242 LAZYXNJHFDLVPI-WKOIVZFLSA-N 353.374 1.608 0 40 FDAB COc1ccc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)N1CCCC1 7814123 IZGWCBWXJFHFSP-UHFFFAOYSA-N 366.361 1.772 0 40 FDAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CCNC1=O 7841036 OCZLGLCJAAJHDT-JTQLQIEISA-N 358.427 1.707 0 40 FDAB NC(=O)c1ccc(OCc2nnnn2-c2ccc(OC(F)F)cc2)cc1 59926989 IVTZDSRZMAAZHU-UHFFFAOYSA-N 361.308 1.942 0 40 FDAB CCCc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 6636940 ZPPSBTTYAALUPP-UHFFFAOYSA-N 374.828 1.923 0 40 FDAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3c21 6941388 KCMSOFWJTCODBM-SNVBAGLBSA-N 363.395 1.137 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1C 32771437 CLDHMWXUINQEQD-UHFFFAOYSA-N 374.528 1.623 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 10301463 YEWYNPVDJPBEFT-UHFFFAOYSA-N 372.487 1.557 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ncc(Cl)cc1Cl 32810079 QVJIFOYGJAQALM-UHFFFAOYSA-N 357.153 1.280 0 40 FDAB CN(CCCNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1 32900109 CEQGOYAYZGFEPO-UHFFFAOYSA-N 350.422 1.946 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21895838 WZPMABPBEXXAHW-CYBMUJFWSA-N 353.378 1.522 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccsc1 23133349 QCPREHDLTFYNMS-HNNXBMFYSA-N 372.450 1.170 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 22691331 SSZNZYHDAAAQRS-AWEZNQCLSA-N 350.290 1.629 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1F 24581343 MKNYTQSTQZMWMH-ZIAGYGMSSA-N 362.401 1.968 0 40 FDAB O=C(NC1CC1)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCC2 102340836 BEZSNKPYAQOTLM-GVARAGBVSA-N 372.446 1.796 0 40 FDAB COc1ccc(OCCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12402590 YXNFPCOMKYKLQE-PBHICJAKSA-N 350.440 1.644 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)C1 25133951 HQQKZHWPXXQDEQ-GFCCVEGCSA-N 368.380 1.886 0 40 FDAB C[S@@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cc1 108163710 OFPZHCNEZUYUJM-ZIBDJOFNSA-N 366.483 1.930 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1ccc(Cl)cc1 20800214 FCORRMMCAHCNJL-GFCCVEGCSA-N 356.831 1.322 0 40 FDAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3nccnc3C(=O)O)c2)n1 71285419 YGRGKBCHETYMNT-UHFFFAOYSA-N 351.322 1.486 0 40 FDAB CCOc1ncccc1C(=O)OCC(=O)NCc1ccc(C(=O)OC)cc1 3242062 SNXLMFRSJJSOLA-UHFFFAOYSA-N 372.377 1.740 0 40 FDAB CN(CC(=O)NC[C@H](O)c1ccccc1C(F)(F)F)c1cnccn1 58324599 FGJZAIFQIYBRBR-ZDUSSCGKSA-N 354.332 1.781 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1c(=O)n(C)c3ccccc31)C[C@@H]2O 36391018 TVQZRAOUHMCAIV-INIZCTEOSA-N 369.421 1.864 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)Cn1cnc2ccccc21 12659029 FWYVGPUBQGQSTA-UHFFFAOYSA-N 358.379 1.379 0 40 FDAB O=C1O[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)Cc2ccccc21 28694614 SCFGJYNABKUOMD-SFHVURJKSA-N 351.406 1.508 0 40 FDAB C[C@@H](CN(C)C)On1c(S[C@H](C)CN(C)C)nc2ccccc2c1=O 2409305 AKYMJUSVGAWJBS-UONOGXRCSA-N 364.515 1.817 0 40 FDAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 3461565 RALGXXVZKMHINM-UHFFFAOYSA-N 369.377 1.828 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=COCCO3)CC2)cc1C 3407080 ZXIMFFLVSQTFRP-UHFFFAOYSA-N 366.439 1.025 0 40 FDAB O=C1Cc2cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc2N1 12987487 VHBLRWUPNGRCLN-GFCCVEGCSA-N 359.411 1.322 0 40 FDAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 12924937 CPKUHHAJZIQQCV-GFCCVEGCSA-N 358.423 1.712 0 40 FDAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 13814814 BYAGUFPTVOEDKS-UHFFFAOYSA-N 369.425 1.048 0 40 FDAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)n1nnc2ccccc2c1=O 5242081 KGWDMSQHSKSFDQ-OAHLLOKOSA-N 351.366 1.480 0 40 FDAB CCOC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(NS(C)(=O)=O)cc12 4411741 SVTPGLJLFVYZEY-UHFFFAOYSA-N 374.440 1.306 0 40 FDAB Cc1cccc(CN2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)n1 306137124 QMBUPEUMJIILII-NVXWUHKLSA-N 367.453 1.138 0 40 FDAB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1C1CC1 14125227 FRBFPDGVENKNRN-FPYGCLRLSA-N 370.497 1.876 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 14244354 DXDAJPRUKIFFAE-SFHVURJKSA-N 353.334 1.343 0 40 FDAB CN(C(=O)COC(=O)c1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 4836648 FRHOFNBTCJRKNY-CQSZACIVSA-N 361.419 1.642 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCN(C)c1ccccc1)C2=O 8779755 YEQCWLUXDWGNLI-UHFFFAOYSA-N 372.469 1.740 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2sccc2C2CC2)C[C@H](C)O1 67163431 DDOAORKHCOVQOD-RYUDHWBXSA-N 372.512 1.794 0 40 FDAB O=C(NC1CC1)c1ccn(-c2cc(SCC(=O)N3CCCC3)ncn2)n1 67225615 FWPPFYVZTQXESJ-UHFFFAOYSA-N 372.454 1.269 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 7021580 LGVIOFJCPJJXMG-UHFFFAOYSA-N 355.394 1.502 0 40 FDAB CCOC(=O)[C@@H]1CCCc2sc(CN3CCN(C(C)=O)CC3)nc21 96003831 JXJZSFBIUQKPAJ-CYBMUJFWSA-N 351.472 1.790 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O[C@H]2C[C@H](C)OC2=O)c1C 84075049 SDFNXQWJJXEXAQ-FZMZJTMJSA-N 369.439 1.446 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC[C@@H](O)c1ccc(F)cc1 72278414 NKFDNLQMKJGSSY-CYBMUJFWSA-N 358.291 1.856 0 40 FDAB O=c1c(Cl)c(NCc2nnnn2C2CC2)cnn1Cc1ccccc1 78528370 HEDYVPBTMSCQLX-UHFFFAOYSA-N 357.805 1.879 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccccc2Cl)CC1 95949340 QCKYKWMKMJEDHC-GUYCJALGSA-N 351.878 1.658 0 40 FDAB Cn1cc([C@H]2NC(=O)CC[C@@H]2NC(=O)c2ccc(NC3CC3)nc2)cn1 75105280 ZHAYZMCXUPNHFM-WMLDXEAASA-N 354.414 1.139 0 40 FDAB Cc1nnc2ccc(N3CCN([C@H]4Cc5ccccc5[C@H]4O)CC3)nn12 89740947 WQUGJHBFPROCLT-QFBILLFUSA-N 350.426 1.213 0 40 FDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2 520277763 UIQIAUIOCWZJHR-LLVKDONJSA-N 371.363 1.073 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cccn3)cc2)C1 32491636 KFHNZDRRFNOVMY-AWEZNQCLSA-N 362.455 1.942 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC(=O)Nc1ccccc1F 34887562 LNCTYVGVFHRPGK-UHFFFAOYSA-N 374.372 1.525 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71288486 OMMBCPHGGGQIFV-OLZOCXBDSA-N 370.427 1.241 0 40 FDAB CC(C)(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(CCN)[C@@H]2CO)cc1 72321362 SBFNZFXITGYJEB-CRAIPNDOSA-N 363.458 1.281 0 40 FDAB biogenic,in-vitro CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(C)c1C)CC2 72347105 RRGLPHNCEUKYBP-UHFFFAOYSA-N 368.441 1.326 0 40 FDAB Cc1n[nH]c(SCCNC(=O)CCN2C(=O)c3ccccc3C2=O)n1 225874818 XDERQEUZYMKOIJ-UHFFFAOYSA-N 359.411 1.008 0 40 FDAB Cn1ccnc1SCC(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386211 HFDBMBUUDWZPRV-AWEZNQCLSA-N 370.434 1.690 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225628855 XBFPJKGCXOTIHO-UHFFFAOYSA-N 366.425 1.905 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 225522279 CMGCXDIBAIJFLP-JKSUJKDBSA-N 352.438 1.740 0 40 FDAB COC(=O)c1cn(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc12 222640920 WICMMYRXTNYWCB-UHFFFAOYSA-N 364.423 1.740 0 40 FDAB Cc1noc(CNC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)n1 77100478 BHTACAICOROVMP-UHFFFAOYSA-N 369.263 1.182 0 40 FDAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCCCn1ccnn1 576849521 ASXATUBXXUOVOV-ZDUSSCGKSA-N 358.450 1.704 0 40 FDAB Cc1nc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cs1 265413968 GDHYOJKYOHUWKR-UHFFFAOYSA-N 360.487 1.400 0 40 FDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)C1CCOCC1 96059779 LTULLRQSLJVKHP-QGZVFWFLSA-N 363.458 1.466 0 40 FDAB Cn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O 95480796 GGTRPXCFXOJHDJ-LBPRGKRZSA-N 366.377 1.514 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CCC1)CC2 96254932 SEZPBUZKQSSYQQ-UHFFFAOYSA-N 359.474 1.107 0 40 FDAB COCC(=O)N[C@H]1COCCC12CCN(Cc1ccccc1F)CC2 96217005 WSFAQWHEQCZOJG-KRWDZBQOSA-N 350.434 1.959 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccncc1)CCN(C(=O)C(C)C)C2 96036184 QSZJAPHBUDVUEO-HXUWFJFHSA-N 372.469 1.261 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1nc2ccccc2[nH]1 96116711 DBAFYQFCXYLJHO-UHFFFAOYSA-N 351.410 1.357 0 40 FDAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COc2ncccc2F)ncn1 248117163 LZJKLZRWOUQQCS-CYBMUJFWSA-N 359.405 1.751 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257340516 ZGMWDNHOKNHXEC-PQEBFOHHSA-N 352.504 1.754 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1 257228454 FTXMUPWAVZEGBH-MJGOQNOKSA-N 353.422 1.934 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)cc1 257209128 BPDMBTMDIVONNL-YRXWBPOGSA-N 357.406 1.757 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 257296327 RCGZDIBEAYYKOM-ZDUSSCGKSA-N 351.414 1.695 0 40 FDAB CSC1(C(=O)NC[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)CC1 598542689 SHNPUBWGDRPCAI-SWLSCSKDSA-N 362.499 1.874 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)OC(F)(F)O2 643946729 IGDISYAWJBULOQ-HNNXBMFYSA-N 356.325 1.375 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 644037201 GJHFHXIWCMVGFP-MRXNPFEDSA-N 358.360 1.738 0 40 FDAB Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCC(c2ncco2)CC1 627948730 GAVXJUKRNBSAET-UHFFFAOYSA-N 355.398 1.988 0 40 FDAB NC(=O)Cn1cc(NC(=O)c2ccc3c(Br)cnn3c2)cn1 1141756595 OQNMSDFYTCRHBM-UHFFFAOYSA-N 363.175 1.031 0 40 FDAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n(C)n1 1615611961 RNWSKNPEHLYCRF-MRXNPFEDSA-N 372.473 1.158 0 40 FDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc4n(n3)CCCO4)nc21 90626754 ZHCFWIFBRCUCKS-SECBINFHSA-N 362.411 1.967 0 40 FDAB CS(=O)(=O)CC1(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)CC1 678198936 HIPCSVMBQTVGTR-CQSZACIVSA-N 366.483 1.520 0 40 FDAB O=C(c1ccc(F)cc1F)N1CCN(c2nnnn2-c2ccccc2)CC1 36763036 DCFOUERCNBKOND-UHFFFAOYSA-N 370.363 1.903 0 40 FDAB Cc1c(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)cnn1C 1615162235 USAJFANNBQUZFJ-DLBZAZTESA-N 353.463 1.263 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCN3C)C2)c1 19767323 NMCMXMJZBYDVLS-MRXNPFEDSA-N 355.442 1.638 0 40 FDAB COc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(OC)n1 11765263 DAPCDUJJJDDINC-UHFFFAOYSA-N 361.377 1.987 0 40 FDAB CCCn1c(O)nnc1SCc1cc(=O)n2nc(CC)sc2n1 12763277 CVCNWTILRONCHZ-UHFFFAOYSA-N 352.445 1.713 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC 13001505 HIAFKWFKCOKCHV-MLGOLLRUSA-N 360.410 1.767 0 40 FDAB Cc1nn(CC(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C 19556433 PQAIAEPIPHWXHY-INIZCTEOSA-N 369.469 1.717 0 40 FDAB Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(=O)[nH]c(-c2ccccn2)n1 19572280 LRIRDJZTYOMERW-UHFFFAOYSA-N 365.393 1.077 0 40 FDAB CCc1cc(CNC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)on1 19746398 BURLUWRYNJTMOV-UHFFFAOYSA-N 372.425 1.388 0 40 FDAB Cc1c(CN2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cnn1C 19748656 DNQFDJYPDZKYFY-UHFFFAOYSA-N 353.470 1.509 0 40 FDAB C[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2[nH]1 19748810 BHHVJFIMLOBRKN-LBPRGKRZSA-N 364.471 1.802 0 40 FDAB CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(OC)c(C)c1 19929626 IIGHCTAQTBRJAO-CQSZACIVSA-N 370.471 1.309 0 40 FDAB Cn1cnc2c(N3C[C@H]4CCC[C@@]4(COc4ncc(F)cn4)C3)ncnc21 1888903949 LITXHQSRJWHYDV-XIKOKIGWSA-N 369.404 1.978 0 40 FDAB CC1CCN(C(=O)CN2CCN(c3cc(-n4cccn4)ncn3)CC2)CC1 1889133879 YFBKEFOATFJYQF-UHFFFAOYSA-N 369.473 1.043 0 40 FDAB COc1cnc(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)nc1 1889148812 UAKILFYLCGWPJD-UHFFFAOYSA-N 355.402 1.518 0 40 FDAB Cc1noc(CN2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n1 1852124160 VNSQAYJQAVMQDK-UHFFFAOYSA-N 352.398 1.863 0 40 FDAB CC(C)N1C(=O)C(=O)N(CN2CCN(CCc3ccccc3)CC2)C1=O 23249149 TWLWMGIGZRGALQ-UHFFFAOYSA-N 358.442 1.003 0 40 FDAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 23227943 JBYVMJLSCZCRSD-MRXNPFEDSA-N 372.446 1.995 0 40 FDAB O=C(N1CCO[C@]2(COCCN(c3nccs3)C2)C1)C1(F)CCC1 1614930387 BQDDBBYNIDNVJM-OAHLLOKOSA-N 355.435 1.470 0 40 FDAB CCCC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851646 SECZYQOCBXRZFN-UHFFFAOYSA-N 365.441 1.718 0 40 FDAB COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)N(C)C 40087920 VGKCRFOMRDIZLK-RDJZCZTQSA-N 361.486 1.919 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC1CCCC1 16047232 XUSQSMYALFOPPP-INIZCTEOSA-N 354.410 1.690 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnnn1C 3545449 GOHNALWWJJWLFZ-UHFFFAOYSA-N 354.823 1.053 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Br)cc1)CC(O)=N2 20720964 IIGPOLFRZOGCJE-SNVBAGLBSA-N 364.199 1.970 0 40 FDAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249326 HUFXOSPZPQQMPD-CYBMUJFWSA-N 353.426 1.133 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4327837 YUERGOBAXHUBMQ-IYYQDKMGSA-N 366.417 1.907 0 40 FDAB COc1cc(OC)c(NC(=S)NCCN2CCOCC2)cc1Cl 20885888 HOYWZSZTGISCDR-UHFFFAOYSA-N 359.879 1.976 0 40 FDAB Cc1nnc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)s1 4409965 WQDDLILYBGIHBN-UHFFFAOYSA-N 370.442 1.677 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)cc(OC)c1OC 4502629 NVNSCVKAZPPXLS-GFCCVEGCSA-N 365.777 1.806 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 2653205 LUJGJJRADYEYLS-UHFFFAOYSA-N 368.349 1.319 0 40 FDAB CCCCn1nc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1=O 21604556 HFRKKAOHRYCQRG-NSHDSACASA-N 366.418 1.213 0 40 FDAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)NCc3cccs3)nc2n1 21602639 WNQQRDCARBPYKR-NSHDSACASA-N 359.411 1.664 0 40 FDAB CCNC(=O)NC(=O)CN1CCO[C@@H](c2ccc(Br)cc2)C1 58172186 AGARUXZFUTUSPB-CYBMUJFWSA-N 370.247 1.668 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1cccc(Cl)c1 803303 GBSDKNYKCAQVQK-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB CCCS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCCC2=O)c1 23187045 DMZNYPMVFBXWDC-UHFFFAOYSA-N 367.471 1.581 0 40 FDAB COc1cccc(CN2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)n1 108525596 RHJVVWKRSKMVDC-UHFFFAOYSA-N 355.442 1.608 0 40 FDAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101047052 JVTQDRHXOXEWFX-OKEDWHLHSA-N 350.374 1.971 0 40 FDAB Cc1ccc(C(=O)CCC(=O)N2CCCN(S(C)(=O)=O)CC2)s1 24778042 UVIPGQGQWYYNNG-UHFFFAOYSA-N 358.485 1.513 0 40 FDAB O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccccc1Cl 1451333 FTMKXNFKWKEOTL-ZROIWOOFSA-N 371.805 1.896 0 40 FDAB CCS(=O)(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 56198734 OKDPLDOFGZHLOB-LLVKDONJSA-N 370.475 1.873 0 40 FDAB Cc1nccc(CNC(=O)NCCC(=O)N2CCCc3ccccc32)n1 57074517 YEKFCHBPCVBVBH-UHFFFAOYSA-N 353.426 1.954 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 7946754 HRQZLMBDNDAOKB-GFCCVEGCSA-N 374.484 1.090 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cc1O 10026691 JJCQPDJMIRFYEC-UHFFFAOYSA-N 362.407 1.987 0 40 FDAB CC(=O)N1CCN(C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)CC1 27476455 CYZROMPEUIANOM-UHFFFAOYSA-N 374.828 1.499 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)NCc2cccnc2)c1C 58178714 TZQLEWFLFUOFKH-UHFFFAOYSA-N 372.425 1.640 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H](C)N3CCC(C)CC3)cnc12 58179196 LPFYVEIIMVDBHD-MRXNPFEDSA-N 356.470 1.942 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C[C@H]2C=CS(=O)(=O)C2)c1C 16446817 AAENZZKWKUAZRY-QWHCGFSZSA-N 367.423 1.897 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20456793 XIILJNOEMHLYIR-RDJZCZTQSA-N 367.515 1.642 0 40 FDAB O=C(O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3326495 NRUGVPOQQGHVOC-UHFFFAOYSA-N 360.819 1.038 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)cc(C)c1C 12748527 WJDXZERZSSBLMZ-UHFFFAOYSA-N 358.423 1.945 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)cc(F)c3)CC2)no1 12755769 RUERXCIWQANDJE-UHFFFAOYSA-N 364.352 1.658 0 40 FDAB CN(C(=O)CSc1nnc(C2CC2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 8072313 XHOXJUWDQBLFPS-LBPRGKRZSA-N 370.500 1.228 0 40 FDAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 12853290 IJBYEUKKCHJLBD-UHFFFAOYSA-N 374.422 1.455 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)OCC(=O)NC3CC3)CCC2)cc1 64218240 LXVSAKPBVALXQT-UHFFFAOYSA-N 351.424 1.513 0 40 FDAB Cc1ccn(C)c(=O)c1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 175700354 CXQNHZVLMQHPAQ-UHFFFAOYSA-N 368.368 1.939 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC(=O)c1ccccc1 4370684 RXDWTVZNTBUICZ-UHFFFAOYSA-N 365.393 1.186 0 40 FDAB 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1.370 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 97015708 WVWLGUPHTDHBDL-HNNXBMFYSA-N 361.423 1.283 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCC[C@H]1CO)C2=O 79096763 HJTNHTVZXDKUOS-RYTBJUFESA-N 351.447 1.154 0 40 FDAB COc1cc(Br)c(CNC[C@@H]2CC[C@@H](C(N)=O)O2)cc1OC 95414163 WRVBYVLLUBDEOY-JQWIXIFHSA-N 373.247 1.589 0 40 FDAB CC(C)Cc1nnc([C@H](C)N2CCN(c3ncccc3C(N)=O)CC2)o1 95957554 SRFVIPMLACBPTB-ZDUSSCGKSA-N 358.446 1.645 0 40 FDAB CCn1nc(C)cc1C(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 95970841 XXNKKJXTLUNUNX-UHFFFAOYSA-N 351.384 1.565 0 40 FDAB COc1cccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c1 89662340 DLWUUOKMNCEUNE-CVEARBPZSA-N 364.442 1.988 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NCc2cccnc2-n2cccn2)s1 24794634 YQRBFBDOVLSDPC-UHFFFAOYSA-N 355.423 1.683 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC[C@@H](O)C(F)(F)F)C2=O 545284652 MYFHNDGHOHNBEM-JOYOIKCWSA-N 358.316 1.409 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)C1CCC(OC(F)F)CC1)CC2 552294025 CVGMKPZOTWMKJN-CXQJBGSLSA-N 358.389 1.654 0 40 FDAB COc1ccc(-c2nnn(CC(=O)NCc3ccccc3F)n2)cc1OC 35311704 JQYYFUIHYAASLN-UHFFFAOYSA-N 371.372 1.813 0 40 FDAB Cc1ccc(Cn2nnc3c(O)nc(C(=O)NC[C@H]4CCCO4)nc32)cc1 35315546 UIYJKQWUPOTPFZ-CYBMUJFWSA-N 368.397 1.192 0 40 FDAB C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc1 1526235774 NHOAHFBFWQNCMJ-MRXNPFEDSA-N 364.467 1.528 0 40 FDAB COc1ccc2cnn(CC(=O)NCCn3cccc3)c(=O)c2c1OC 524735003 YKCPPEBVDGNMBY-UHFFFAOYSA-N 356.382 1.032 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 408586859 CJKGFCYHUVWDIJ-UHFFFAOYSA-N 358.460 1.152 0 40 FDAB Cc1ccc(-n2nc3c(=O)n(CCN4CCOCC4)nc(C)c3c2C)cc1 36646277 MTMSTVGUFGBPLT-UHFFFAOYSA-N 367.453 1.840 0 40 FDAB CCOC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182975 FLZRKZQWVUKTHA-UHFFFAOYSA-N 370.412 1.474 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327404 YSPIXHLEWXPJHW-LSDHHAIUSA-N 363.421 1.599 0 40 FDAB CN(C(=O)CCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCS(=O)(=O)C1 32780737 JFRPXZFPXZKZNT-ZDUSSCGKSA-N 367.402 1.454 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 71285380 MKYZZRVNPHZZHL-UONOGXRCSA-N 366.439 1.694 0 40 FDAB CC(=O)Nc1ncc(S(=O)(=O)NCCc2ccc(C(C)=O)s2)s1 225674749 CGEOJCGFSORRSK-UHFFFAOYSA-N 373.481 1.887 0 40 FDAB O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(c2ccccc2)CC1 40287554 GSFYQWJTTNPVMA-UHFFFAOYSA-N 354.458 1.828 0 40 FDAB Cc1ccn(-c2ccccc2CNC(=O)N2CCOC[C@H]2c2nc[nH]n2)n1 571641576 QBFAMZAHVVNJDG-INIZCTEOSA-N 367.413 1.582 0 40 FDAB Nc1nnc(COc2ccc(S(=O)(=O)NC3CCCC3)cc2)s1 222644382 ILQHTHPUCQBSCV-UHFFFAOYSA-N 354.457 1.920 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1cnn(C)c1)C2 96230449 XYDZFCZQJPAHIK-FQEVSTJZSA-N 367.453 1.260 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257237983 HJCAVYACORMPIL-INIZCTEOSA-N 355.442 1.937 0 40 FDAB Cc1ccn(CCC(=O)NCc2cnc(CC3CCN(C)CC3)cn2)n1 257243859 IIWVPJVVDMJBMQ-UHFFFAOYSA-N 356.474 1.572 0 40 FDAB O=C(CN1CCCC1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257267057 MFTZQCDTISZUMG-FPOVZHCZSA-N 357.498 1.710 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)ccn1 257297822 RIXMQRTVZCLEHQ-MRXNPFEDSA-N 355.398 1.539 0 40 FDAB Cn1cnc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)c1 630139661 IGYWEUUVNMQZCA-OAHLLOKOSA-N 356.382 1.752 0 40 FDAB O=C(O)CN1CCCC[C@H](N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1=O 643876642 ZWPJAWBDXNAYBV-KGLIPLIRSA-N 361.446 1.327 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 1775957067 BCJCHLLJDNCJHN-YPMHNXCESA-N 358.446 1.847 0 40 FDAB CC[C@H]1OC2(CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)NC1=O 1615592472 UFKWUVGADUPHDI-MRXNPFEDSA-N 354.410 1.730 0 40 FDAB O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cnc2nc(O)nc(O)c2c1 298077434 ACYFQXOMKQGQBQ-VIFPVBQESA-N 371.319 1.193 0 40 FDAB Cn1c(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cccc1=O 585108562 GKPPJLGKTYANQA-AYBZRNKSSA-N 369.421 1.369 0 40 FDAB O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 585095950 GEPDBCMZSVNTJB-QGZVFWFLSA-N 354.410 1.845 0 40 FDAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)Cn2cccnc2=O)C1 585277849 WTBIXANUQBVLIM-IBGZPJMESA-N 357.410 1.248 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@H](C(=O)O)N(Cc2cn(-c3ccccc3)nn2)C1 685940303 CVJGESLGHFMPTJ-XJKSGUPXSA-N 357.414 1.021 0 40 FDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc1O 104548546 ATWKBLRRZKZZBU-IPPJXQLGSA-N 354.387 1.038 0 40 FDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccnc(N2CCCC2)c1 1615083693 DUWWNXOYRHTSNA-LJQANCHMSA-N 360.458 1.439 0 40 FDAB C[C@H]1C[C@@H](O)[C@@H]2[C@]3(C)CCC[C@]2(COC3=O)[C@@]12CC[C@]1(CCOC1=O)O2 5410109 BTDGKVYVOVKLMN-UAWMTFNBSA-N 364.438 1.972 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859205 BBUYUNRMQOEVPD-SUNKGSAMSA-N 364.295 1.952 0 40 FDAB CC(C)(C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12086256 KBOCQVMBDPYTMW-IBGZPJMESA-N 359.426 1.432 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)NC(Nc2ccccc2)=N1 14607019 RTHUDRGPYQYSLI-ZDUSSCGKSA-N 352.350 1.710 0 40 FDAB O=C(CCC(=O)N1CCN(Cc2cccc(F)c2)CC1)N1CCOCC1 155815856 KRTKLKZFCCSCPC-UHFFFAOYSA-N 363.433 1.109 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(c2nc(-c3ccccn3)nc(C)c2C)C1 643721375 YOOAWUVMZFNLQH-LJQANCHMSA-N 355.442 1.623 0 40 FDAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccsc1 36398640 FGWXEGOSSONNLU-NEPJUHHUSA-N 363.405 1.878 0 40 FDAB Cc1cc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)n2ncnc2n1 1888866793 QUVQBNFDVOALOJ-UHFFFAOYSA-N 360.372 1.795 0 40 FDAB CCOc1ccc(-n2ccn3c(=O)n(C[C@@H]4CCCOC4)nc3c2=O)cc1 1888908405 IIFJMSKVWICFRV-AWEZNQCLSA-N 370.409 1.472 0 40 FDAB COC(=O)c1sc(S(=O)(=O)Nc2cn[nH]c2)c(C(=O)OC)c1C 40115204 SRUSSQAEOJNVKY-UHFFFAOYSA-N 359.385 1.154 0 40 FDAB O=C(CN1CCC[C@]2(CCCN(C(=O)C3=COCC3)C2)C1)N1CCCC1 2056224294 VIXNKWRJFVQLEE-FQEVSTJZSA-N 361.486 1.618 0 40 FDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1565544552 LGIRNKROUHJTOT-FXAWDEMLSA-N 373.497 1.684 0 40 FDAB CC(=O)[C@@H](Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)N(C)C 4142467 FSIFJWLEOJOTCN-CYBMUJFWSA-N 374.401 1.488 0 40 FDAB CCCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4250717 WSJBQJGDXDPCRM-UHFFFAOYSA-N 355.398 1.899 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)NCc3ccco3)CC2=O)cc1OC 4479812 DIQAULHCAXVNHF-GFCCVEGCSA-N 359.382 1.902 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1Cl 9571277 GNLFVJQRPZGHEJ-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccc(F)c2)CC1 2055713270 QXAUGOGQCNAOEO-UHFFFAOYSA-N 360.433 1.776 0 40 FDAB O=C([C@H]1CN(c2nccn3nccc23)CCO1)N1CCC(F)(F)CC1 2086884417 PJORJGQNMXORFY-CYBMUJFWSA-N 351.357 1.192 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)[C@@H](C)n4cccn4)nnc23)n1 225748476 MYLAAXVVVFFEIS-SNVBAGLBSA-N 352.358 1.162 0 40 FDAB C[C@@H]1CCCCN1CC(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 257311410 UJHWMOPKEZRGQK-CVEARBPZSA-N 370.501 1.499 0 40 FDAB COCCCNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839509 IUGQKZWSSSALAN-UHFFFAOYSA-N 371.441 1.239 0 40 FDAB CCCc1noc(CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)n1 40060300 HLYGCARIQXFWSS-UHFFFAOYSA-N 360.414 1.969 0 40 FDAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 45669797 IDBCFWHXEKCQPQ-GJZGRUSLSA-N 359.426 1.973 0 40 FDAB CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 1642998 ZVWIAQOLLNVEGA-RHSMWYFYSA-N 353.422 1.278 0 40 FDAB Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(=O)n(-c2ccccc2)n1C 4124158 AQNVIXFHOBUMTK-CLWVCHIJSA-N 367.405 1.946 0 40 FDAB COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 6766255 QLOAJGPFWWKQCW-UHFFFAOYSA-N 374.462 1.990 0 40 FDAB biogenic C=CCOc1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 6856043 DZIAONWTPCFRAC-FMNNIJNLSA-N 365.432 1.898 0 40 FDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 7289772 LVQQDXMDFWFKFV-SFHVURJKSA-N 361.398 1.487 0 40 FDAB O=C(C1CC1)N1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 32902489 RJQWARCDYWURCO-LJQANCHMSA-N 371.462 1.696 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cnccn1 21707353 IEOCMWDEFMTSNI-UHFFFAOYSA-N 352.441 1.253 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(=O)[nH]c1 9499111 VITKNVALOHNYNW-UHFFFAOYSA-N 364.199 1.814 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 52949820 IBQRVCRSFZPELK-ZDUSSCGKSA-N 362.407 1.165 0 40 FDAB COc1cccc(COCC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1 46745310 FPRIYJDLOXJUIT-HRCADAONSA-N 350.459 1.826 0 40 FDAB CN1CCN(C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 22594006 CMYYWANBRPMTNA-NSHDSACASA-N 365.218 1.714 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2)cc1 24462993 RZMSFRDPOYAJBQ-UHFFFAOYSA-N 372.443 1.391 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cnc21 104705143 VQBNORJZLPWQMQ-OWTLIXCDSA-N 356.426 1.659 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ccccn3)CC2)c1C 23508572 STBAMCYACVJYAS-UHFFFAOYSA-N 356.426 1.818 0 40 FDAB CCCn1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 1070895 DCDCSAQCNHLCDK-UHFFFAOYSA-N 355.373 1.903 0 40 FDAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)s1 1012862 RVZJFLLAWYASNU-XYOKQWHBSA-N 352.437 1.952 0 40 FDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2cccs2)CC1 23735772 ZVABUHIVGUHIKT-UHFFFAOYSA-N 354.435 1.943 0 40 FDAB COc1cccc(CNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)c1 24649723 RKIXUXIHWGPUDY-UHFFFAOYSA-N 352.394 1.570 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)CNc2ccc(O)cc2)C1 1323414 LFHHUAMCQMHXQL-DAYGRLMNSA-N 355.438 1.446 0 40 FDAB biogenic O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 58159686 ANHXGFVIDHCMCM-SJLPKXTDSA-N 360.454 1.989 0 40 FDAB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccn1 58208437 HIANCTRHUOFOQX-UHFFFAOYSA-N 359.451 1.912 0 40 FDAB CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 58293441 PNGUVZNQYVINIM-DZGCQCFKSA-N 370.471 1.185 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)NCCNC(=O)Cc1cccc(F)c1 58246568 VSIIYENBWGCWBQ-UHFFFAOYSA-N 371.478 1.583 0 40 FDAB COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 12782577 HCQMRVYFKKUWBJ-UHFFFAOYSA-N 372.443 1.080 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl 12738885 UUDABKATWXEHCX-UHFFFAOYSA-N 373.862 1.909 0 40 FDAB NC(=O)c1ccsc1NC(=O)CSc1nnnn1C1CCCC1 8544735 BMOIXRDSICWOCA-UHFFFAOYSA-N 352.445 1.679 0 40 FDAB CC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)O 4080978 ASSHIENCBYFCAY-GFCCVEGCSA-N 363.366 1.641 0 40 FDAB biogenic NC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392554 IUVDBPYXCFDWKM-SECBINFHSA-N 356.469 1.489 0 40 FDAB Cc1cccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC(C)C)c1 4496024 QXOVZPDQCXXZSS-AWEZNQCLSA-N 367.405 1.869 0 40 FDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 65591475 GTNKMFZORTYOHO-UKRRQHHQSA-N 367.515 1.451 0 40 FDAB C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 6461349 FMUVPVLBGUEUEH-BTDICHCPSA-N 354.428 1.820 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@@H]1C 14229115 SWUXJHOKPUPNKL-SNVBAGLBSA-N 363.370 1.156 0 40 FDAB COc1ccc(N2C(=O)C=C(NCc3ccc4c(c3)OCO4)C2=O)cc1 4621074 KAYVQCKPNKSVCM-UHFFFAOYSA-N 352.346 1.971 0 40 FDAB CCOC(=O)C1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 5560226 PSJLCWZLTKUESW-INIZCTEOSA-N 365.426 1.568 0 40 FDAB Cn1c(=O)c2sc3c(c2n(CCN2CCCC2)c1=O)COC(C)(C)C3 6764568 ARNIPVSXHJZEOZ-UHFFFAOYSA-N 363.483 1.709 0 40 FDAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 24452299 SNSGQABEFWYBRO-UHFFFAOYSA-N 365.407 1.954 0 40 FDAB CCOc1ccccc1OCCCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 7473166 PTINRKVCRIQCQC-KRWDZBQOSA-N 355.456 1.938 0 40 FDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)N2CCOCC2)CC1 24251473 VUVJQRCPMXISFX-MRXNPFEDSA-N 372.469 1.034 0 40 FDAB NC1=Nc2nc3ccccc3n2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 7718731 BVJZLTSZLDSBFC-SFHVURJKSA-N 362.349 1.010 0 40 FDAB O=C(CCC(=O)N1CCc2ccccc2C1)NCCCN1CCOCC1 19823152 XSZVIDKXWOBRQQ-UHFFFAOYSA-N 359.470 1.190 0 40 FDAB Cc1ccccc1OCCCC(=O)N1CCN(CC(=O)NC2CC2)CC1 23179352 RLLMZPIFQUQEOZ-UHFFFAOYSA-N 359.470 1.577 0 40 FDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)cnc1N 97020796 MCTFPKJYAWJCKU-SECBINFHSA-N 356.839 1.285 0 40 FDAB Cc1nc(CCCNS(=O)(=O)c2ccc(Br)s2)n[nH]1 72307469 TVAYXOBRPAXRTJ-UHFFFAOYSA-N 365.278 1.848 0 40 FDAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc2ncnn12 543389857 WRRMQFMQWRSQBI-UHFFFAOYSA-N 365.393 1.762 0 40 FDAB C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C 89237992 USKSGRJIUYBYME-ZBFHGGJFSA-N 374.485 1.780 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)N1CCN([C@H]2CCSC2)CC1 75106342 GYIBLMCWAZBWPB-RDJZCZTQSA-N 363.527 1.823 0 40 FDAB Cn1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc1=O 502335787 XNNCIYQZMVVBBS-QAPCUYQASA-N 352.394 1.015 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 408615734 ROMGXGCAUBAQOZ-JTQLQIEISA-N 364.851 1.266 0 40 FDAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 409139382 ADFWDNWVCGDDFO-IZZDOVSWSA-N 351.336 1.359 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)ccc21 516750871 GQNSEFUFBGAZDN-AWEZNQCLSA-N 356.426 1.657 0 40 FDAB COC(=O)c1cn(NC(=O)C[C@@H]2CCOC(C)(C)C2)cc2c(O)nnc1-2 524733163 AIIBJZLWYAWKAO-JTQLQIEISA-N 362.386 1.541 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccncc1 31818240 YDAKLKBDQFSWGO-CQSZACIVSA-N 370.384 1.006 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cccnc2)cc1N1CCCC1=O 30857443 VMEYIRZNIZLEIE-UHFFFAOYSA-N 361.423 1.696 0 40 FDAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 72341518 KTXUVUOEMDYKDY-AVGNSLFASA-N 355.442 1.746 0 40 FDAB Cn1cnnc1SCC(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386218 LYYZFIMEFDHSKN-ZDUSSCGKSA-N 371.422 1.085 0 40 FDAB O=C(NCCn1cnc2sccc2c1=O)c1cnc2ccccc2n1 225810119 JWLKCLCELJJITF-UHFFFAOYSA-N 351.391 1.831 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F 226686830 HYSMWMRJGIZMFL-UHFFFAOYSA-N 356.375 1.364 0 40 FDAB Cn1nc(OCC(=O)N2CCOCC2)c2cc(Br)ccc21 226754493 VNFJAOBMSGOOPH-UHFFFAOYSA-N 354.204 1.573 0 40 FDAB Cc1ccc(N2CCO[C@H]3CN(Cc4cc(C)on4)CC[C@H]3C2=O)cn1 96107177 DZCJWIUXLNKPGV-MSOLQXFVSA-N 356.426 1.940 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)NC1CCCC1)C2 96238073 MCQOLSLYBKKZBN-LJQANCHMSA-N 357.458 1.457 0 40 FDAB O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1Cc1ccccn1 96159105 BTFSGZKTKWMZPF-UHFFFAOYSA-N 357.389 1.409 0 40 FDAB COc1cc(N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)ncn1 96039525 RHYDGXPNESVTGM-MAUKXSAKSA-N 350.463 1.439 0 40 FDAB CCS(=O)(=O)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 96208728 RLFYCHHFXGPDEW-HNNXBMFYSA-N 354.472 1.929 0 40 FDAB Cc1csc(CN2CC3(C2)CN(CC2CC2)[C@H](C(=O)N(C)C)CO3)n1 248034742 ULUQYEYSEULWFB-HNNXBMFYSA-N 364.515 1.205 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCC(=O)O 257254994 KFRDJKIAIKWGRP-LJQANCHMSA-N 372.425 1.284 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 257309334 UANUPMYYXJFMIA-KRWDZBQOSA-N 355.442 1.840 0 40 FDAB Cc1cc(N2CC[C@@](O)(CNC(=O)CCc3ccc(F)cc3)C2)ncn1 257309393 UATLQYFDAKESKK-LJQANCHMSA-N 358.417 1.614 0 40 FDAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257212840 CFEARSCCUYDMBH-CYBMUJFWSA-N 350.448 1.129 0 40 FDAB CS(=O)(=O)N1CCC(c2nccnc2-c2cncc(C(=O)O)c2)CC1 257215813 CRTVXAPMBKJRAW-UHFFFAOYSA-N 362.411 1.376 0 40 FDAB O=C(N[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1O)c1cnccn1 257328583 XGHRXKLRLRLIKX-HUUCEWRRSA-N 350.781 1.244 0 40 FDAB CO[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2C)C[C@H]1c1cnn[nH]1 622168839 QDEJJBZGWNEITF-DOTOQJQBSA-N 352.398 1.553 0 40 FDAB CN1C(=O)CO[C@H](C(=O)Nc2cccc(F)c2Cl)[C@H]1c1cnn(C)c1 637267222 YFYHBIVDHQUJEY-CABCVRRESA-N 366.780 1.750 0 40 FDAB COc1ccc(CCC(=O)N2CCN(C(=O)C3(C(=O)O)CCC3)CC2)cc1 649242871 WZRORWYRGSVPEP-UHFFFAOYSA-N 374.437 1.554 0 40 FDAB COc1ccc(Cn2nnc(C(=O)N3CCN(C(C)C)CC3)c2C)cc1 651080286 WYHNWSIUNJWHCY-UHFFFAOYSA-N 357.458 1.810 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cnn(C(C)(C)C)c2)C1 1775957024 AGHXBUVNVIOTNI-KGLIPLIRSA-N 358.446 1.778 0 40 FDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4cccnc4)C3)ncn2)n1 390826501 MXKUANIICXKSBN-UHFFFAOYSA-N 363.425 1.427 0 40 FDAB Cc1noc(C)c1CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 301083225 JICIRVIPMPJJEY-UHFFFAOYSA-N 360.439 1.558 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615126422 SNKUVDCJNLEHFD-FQEVSTJZSA-N 358.438 1.838 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC[C@@H]1O 12187667 GGKGMBWHAMVSOQ-GWCFXTLKSA-N 354.428 1.188 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1 12811267 ZQJLYQLIAYOBCA-MRXNPFEDSA-N 366.464 1.860 0 40 FDAB CC(=O)N[C@H](CSCC(=O)c1ccc(Br)cc1)C(=O)O 16320980 LBODOWCTTITMCE-LLVKDONJSA-N 360.229 1.954 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)[nH]n1 19083690 NUDNNNMSFMLJDR-GFCCVEGCSA-N 354.458 1.773 0 40 FDAB CC(C)N1CCc2nc3cc(C(=O)N4CCCC4)ccc3c(=O)n2CC1 19448599 CANZYHCRLWJCRC-UHFFFAOYSA-N 354.454 1.899 0 40 FDAB Cc1cc(C)c2cc(CNCCN3CCOCC3)c3nn(C)c(=O)n3c2c1 19569342 MXEYZPYOCYCXRS-UHFFFAOYSA-N 369.469 1.225 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@H]1CCOc2ccccc21 19665993 CNKLUFZENACTEJ-AWEZNQCLSA-N 353.382 1.299 0 40 FDAB CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)NCc1ccco1 161736469 ZBPQUVLXWXIPDM-ZDUSSCGKSA-N 356.444 1.100 0 40 FDAB CC(C)CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315131 YKNQILYRWQWPSD-UHFFFAOYSA-N 353.444 1.327 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)nn1 1889119479 WANMTAXSQQGZEA-MFKMUULPSA-N 366.347 1.580 0 40 FDAB COC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 22934999 XGXQOEWQMALWDJ-UHFFFAOYSA-N 370.247 1.178 0 40 FDAB Cn1nccc1C(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1 1565548511 DLJROILJBBOGIY-UHFFFAOYSA-N 364.409 1.915 0 40 FDAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(CC)c(=O)n(C)c4nc23)cc1 4250636 YGAGHGDCGZVTLQ-UHFFFAOYSA-N 367.409 1.866 0 40 FDAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)N1CCCC1 5263914 ATFFXNFUEDLRAK-UHFFFAOYSA-N 370.478 1.890 0 40 FDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10963610 AFHRUPHXTIWGRQ-UHFFFAOYSA-N 358.789 1.801 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc3nncn3n2)CC1 13700282 GRMNELVKCKLMMX-UHFFFAOYSA-N 359.340 1.757 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)NCc1ccnc(-c2cnn(C)c2)c1 585149672 IZNDFCRKSCNSNR-UHFFFAOYSA-N 353.382 1.119 0 40 FDAB COc1ccc(CCN2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 40063218 OOOCVISKTKYXHA-UHFFFAOYSA-N 353.488 1.196 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@H](C)NC(=O)c3ccoc3)CC2)cs1 40153384 FPUOXXNYONAJMP-LBPRGKRZSA-N 362.455 1.507 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)N1CCCN(C[C@H]2CCCO2)CC1 31081574 SLVRYRVBHWZMFW-MRXNPFEDSA-N 361.442 1.812 0 40 FDAB O=C(Cc1ccc(C(F)(F)F)cc1)NCCN1CCCS1(=O)=O 72049264 BDBOEEXHMIKMSG-UHFFFAOYSA-N 350.362 1.400 0 40 FDAB O=C(O)c1nccnc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 32091346 RBRXGEJVUZKNFZ-UHFFFAOYSA-N 361.785 1.952 0 40 FDAB O=C1N[C@H]2CCCC[C@H]2N[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 2219214 UWBQHZKARFQCON-SQNIBIBYSA-N 356.470 1.125 0 40 FDAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(N)=O)cnc4c3cc2CO1 32102910 USLWYJDTMBIQAB-QGZVFWFLSA-N 358.423 1.733 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 3906498 IGDJUVKHKVQMQL-XDNAFOTISA-N 356.422 1.606 0 40 FDAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 20731862 ZQAPBHXSKLRCBR-MEDUHNTESA-N 366.377 1.268 0 40 FDAB CCNC(=S)N(CCN(C)C)Cc1cc2ccc(OC)cc2[nH]c1=O 4133612 MQBAIKIZHIFUCE-UHFFFAOYSA-N 362.499 1.795 0 40 FDAB O=C(O)c1ccc[n+](C[C@@H](O)COc2ccc(Br)cc2)c1 4832797 CWSJTIHYEZQMPD-CYBMUJFWSA-O 353.192 1.875 0 40 FDAB CCn1c(SC[C@H](O)COc2ccccc2)nnc1N1CCOCC1 32751098 RTPJQXJWKSFSMV-CQSZACIVSA-N 364.471 1.667 0 40 FDAB CCc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 8085519 XALMUNNOAYKAED-UHFFFAOYSA-N 356.488 1.946 0 40 FDAB COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298435 BLOXJHGFPRHTHA-BNOWGMLFSA-N 362.459 1.230 0 40 FDAB biogenic,in-vitro COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 41157262 KHVGOILYQUJJCR-QGZVFWFLSA-N 354.406 1.625 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c(C)noc1C 32983148 HWCATAWDINYCBW-UHFFFAOYSA-N 356.382 1.817 0 40 FDAB Cc1ccc(CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 11996824 SKUZWPVPINTTKL-UHFFFAOYSA-N 358.419 1.992 0 40 FDAB C[C@H]1Cc2cc(C(=O)NCCc3ccccn3)ccc2N1S(C)(=O)=O 21774347 OLLWQXYLCLPEID-ZDUSSCGKSA-N 359.451 1.765 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)N3CCOCC3)c12 29962224 VTDVRLPSMWAHPS-GFCCVEGCSA-N 357.458 1.605 0 40 FDAB CCn1cc(NC(=O)c2cc(OCC(=O)N3CCCCC3)n(C)n2)cn1 57355342 TZZMCNYCTXPFBD-UHFFFAOYSA-N 360.418 1.280 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cnn1C 2732357 UENVBNFFWORAIK-AWEZNQCLSA-N 356.492 1.292 0 40 FDAB CCCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 53666971 KDTIBAFAFVOXIH-UHFFFAOYSA-N 367.471 1.737 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc32)cc2c1OCCO2 53644423 CSYSLHZIQAWKAM-UHFFFAOYSA-N 361.375 1.907 0 40 FDAB CCCCn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1=O 22859154 UGWBVEHURWSQON-UHFFFAOYSA-N 369.377 1.496 0 40 FDAB CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1 22970691 DNNIDFAZYQBNSH-HNNXBMFYSA-N 361.442 1.494 0 40 FDAB NC(=O)[C@H](c1ccccc1)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 23249137 KLYARJHFHKAUKD-ROUUACIJSA-N 352.438 1.057 0 40 FDAB Cn1c(Cl)cnc1CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 23302184 QUKATTXFCAANEB-UHFFFAOYSA-N 365.840 1.969 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58190784 PNOUKBZJHBCKRQ-AEZGRPFRSA-N 357.428 1.967 0 40 FDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccnc2)C1=O 23743158 FPXQSZGLUNHGHA-SFHVURJKSA-N 356.357 1.304 0 40 FDAB C[C@@]1(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CCS(=O)(=O)C1 24369587 ANPMTXUBJRAWGJ-LLVKDONJSA-N 373.374 1.441 0 40 FDAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)NC(N)=O 12599979 VEFGTJQAMZNBGS-VIFPVBQESA-N 351.457 1.868 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@@H]1[C@H]1O[C@@H](c2ccccc2)O[C@@H]1CO 43771936 FRNYWYUVZQQBQN-XSEPRYCASA-N 358.390 1.937 0 40 FDAB CCCNC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490578 UNMVHSSLMRCVPT-UHFFFAOYSA-N 361.398 1.879 0 40 FDAB CC(=O)Nc1ccc(CNC2(Cc3cc(CN(C)C)on3)COC2)cc1 67897818 ZFLMYBAWNULHOT-UHFFFAOYSA-N 358.442 1.796 0 40 FDAB biogenic,in-vitro CCC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 27461489 ZINIPNBUTZTXMP-GFCCVEGCSA-N 358.460 1.677 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1 58150937 DBNJYBQSOJDOFI-HNNXBMFYSA-N 353.382 1.678 0 40 FDAB CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(C)o4)c(=O)n3C2)cc1 2253093 OJOJNEBORTYFRQ-MFOYZWKCSA-N 367.430 1.897 0 40 FDAB O=C(COc1ncnc2sccc12)N1CCN(C(=O)c2ccco2)CC1 3375633 KPIKBFBKETUIGC-UHFFFAOYSA-N 372.406 1.648 0 40 FDAB NC(=O)CCc1nnc(SCC(=O)N2CCc3ccccc32)n1C1CC1 12737445 WBVUYHVOLYZEIV-UHFFFAOYSA-N 371.466 1.712 0 40 FDAB COc1ccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)cc1OC 12783667 VHPYIZUCAQAFSF-UHFFFAOYSA-N 355.354 1.534 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCN2CCSC2=O)c1 8113613 YONYJQWCKDAPRJ-UHFFFAOYSA-N 357.457 1.434 0 40 FDAB CC(=O)NCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12857476 SAVYDEGKOULAMB-UHFFFAOYSA-N 356.426 1.379 0 40 FDAB O=C1CN(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc2N1 3523448 UJCWQUUWBPHLTR-UHFFFAOYSA-N 366.406 1.740 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@@H]1C 13001176 LGPIWWNSWVIXLV-NUJGCVRESA-N 369.465 1.999 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 13252246 NBSGIGLZRJDMCH-UHFFFAOYSA-N 354.428 1.911 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCN1C(=O)CCC1=O 8388999 MCTUYAIXQIJKLX-UHFFFAOYSA-N 368.437 1.987 0 40 FDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC(CCN2CCOCC2)CC1 64346817 RRPYMZLMUVFSEZ-UHFFFAOYSA-N 369.469 1.842 0 40 FDAB Cc1noc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 64316293 CTOZRBNEVPWBOI-JQWIXIFHSA-N 372.381 1.380 0 40 FDAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 13731743 CTWZLMVRMFMSBQ-GFCCVEGCSA-N 354.428 1.795 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccn2)cc1 17167612 FQNPXMLFNAOOIV-UHFFFAOYSA-N 363.439 1.465 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)ccc21 5340800 NCCNRROKIPEFHH-UHFFFAOYSA-N 362.363 1.308 0 40 FDAB O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2o1 6623667 PVKGASGRNLMGPG-NMLACTOBSA-N 370.357 1.278 0 40 FDAB biogenic NC(=O)CCS(=O)(=O)CCN(Cc1ccco1)Cc1cccs1 15299484 LMIXRSAAPVZHDM-UHFFFAOYSA-N 356.469 1.634 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O 7459777 BXPQRQDBJPGRGJ-UHFFFAOYSA-N 365.478 1.004 0 40 FDAB CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)s1 9322013 REYLUUICCIUZFV-ZETCQYMHSA-N 351.457 1.702 0 40 FDAB O=C(c1ccoc1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 28976986 PCIWKOOWDPVOTQ-UHFFFAOYSA-N 367.405 1.724 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1 96345645 DZSYEOIHMBPEOT-VIFPVBQESA-N 372.410 1.552 0 40 FDAB Cn1cccc1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 9503953 RJUQOBLORQMUGF-OAHLLOKOSA-N 350.378 1.852 0 40 FDAB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c(OC)c1 20237048 QYIRGDCYBSXGAZ-UHFFFAOYSA-N 370.471 1.728 0 40 FDAB CCCn1nc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)OC)ccc1=O 72310566 MFGDBRZBBUBCIQ-GUYCJALGSA-N 357.410 1.934 0 40 FDAB C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)CN1CCOCC1 84638276 KSSHDPDDADSHKK-ZIAGYGMSSA-N 372.462 1.072 0 40 FDAB COc1ccc(Cc2n[nH]c(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)n2)cc1 95475233 DVCVSMIIMFZKPJ-CQSZACIVSA-N 371.441 1.847 0 40 FDAB Cn1cc(Br)cc1C(=O)N1CCN(c2nccn2C)CC1 79112062 BTEDEYCNYSFVRE-UHFFFAOYSA-N 352.236 1.484 0 40 FDAB COc1ccc(C(=O)NCCCCC(=O)O)cc1S(=O)(=O)NC(C)C 95970550 KLYHFVKHOBNPLH-UHFFFAOYSA-N 372.443 1.367 0 40 FDAB Cc1ccc(-c2cc(C(=O)N3CCN(C[C@@H]4COCCO4)CC3)on2)cc1 95959150 VLYXQJPAUJUGFT-QGZVFWFLSA-N 371.437 1.823 0 40 FDAB COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2C)n1 547962040 XWPYEOTWUCSKSZ-QMMMGPOBSA-N 359.429 1.959 0 40 FDAB CN1CCN(C(=O)c2ccc(F)cc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355068 QBXWHUNJDFMMKL-HNNXBMFYSA-N 371.460 1.928 0 40 FDAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NC2CCCCC2)c1 217447847 ALUKCKPUWHXIDL-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 72576966 GRFCUJTZBQZJKR-UHFFFAOYSA-N 350.444 1.844 0 40 FDAB CCOC(=O)C1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 47934311 SIRQXXONMJUFLC-UHFFFAOYSA-N 358.402 1.778 0 40 FDAB Cn1ncc2c(NCCN3CCN(c4ccccc4)CC3)nc(N)nc21 563420284 FBKCOAKLCSMELC-UHFFFAOYSA-N 352.446 1.180 0 40 FDAB CC(C)[C@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225201500 ONOKTCWWVCWMPE-LBPRGKRZSA-N 356.444 1.385 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 229925148 NQUHMJFFFHSEEE-GPINWOSQSA-N 360.410 1.370 0 40 FDAB O=C(Nc1ccccc1)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240948 KVYVGBRESXYQHD-KRWDZBQOSA-N 373.453 1.806 0 40 FDAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2ccccn2)C1=O 96232378 OMQQERBYMSWQLM-ZDUSSCGKSA-N 354.366 1.539 0 40 FDAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 96075701 AZQPPPUMQUVTBQ-YJBOKZPZSA-N 350.463 1.010 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C)cc1-n1cnnn1 96191692 BRZCKPFRGILVLJ-SGMGOOAPSA-N 365.459 1.774 0 40 FDAB COc1ccc(C(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)cc1OC 90590832 APVZGXTVXWROAN-UHFFFAOYSA-N 374.319 1.048 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccccc1)C2 96230564 HOJKNIDHRBVSLI-HXUWFJFHSA-N 367.453 1.260 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230035 KNQLHHBPRIXNKV-MFCZKXCZSA-N 374.437 1.760 0 40 FDAB Cc1ncsc1CN1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 248003319 BHFGJURWXUIZKR-CYBMUJFWSA-N 361.471 1.143 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccccc1Cl 257256721 KMONWCHGDOZMBO-CJNGLKHVSA-N 354.834 1.375 0 40 FDAB Cc1nc2ccc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2[nH]1 257233794 GQTMAXSLVGPCNP-ROUUACIJSA-N 358.442 1.169 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cccnc1)C2 257332072 XVQNIKLCFJTWMW-SBHAEUEKSA-N 364.449 1.763 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)NCCCN2CCOCC2)[C@@H]1c1ccccc1 257271476 MYMIHPXRXSBSIT-QUCCMNQESA-N 373.497 1.825 0 40 FDAB C[C@]1(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCc2ccccc21 608123173 CRWLIGNDRJROOF-UOIMNJRYSA-N 368.433 1.517 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1(c2cccc(F)c2)CCOCC1 616769814 MGWFEHGBVSVLHH-GVDBMIGSSA-N 359.401 1.561 0 40 FDAB CN1CCCC[C@@H](N(C)C(=O)c2ccccc2NS(C)(=O)=O)C1=O 634146623 KSGPACLGQFEWMR-CQSZACIVSA-N 353.444 1.141 0 40 FDAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(CCc2ccncc2)CC1 636296961 MLQJAKWEEYMVOU-UHFFFAOYSA-N 366.469 1.472 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2ccc(Oc3cnccn3)cc2)C1 643757493 NMOJSBIFLUJDPT-LJQANCHMSA-N 356.426 1.732 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](OC2CCC2)C1 654557240 QHWHDJPPUIWPFW-CWRNSKLLSA-N 373.519 1.447 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3coc4c(C)cccc34)C2)C1 685942577 PDJPCHPBNSKVOO-GFCCVEGCSA-N 355.394 1.160 0 40 FDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 69453167 PHPNTQQKHWYLMT-KGLIPLIRSA-N 373.482 1.887 0 40 FDAB O=C(CS(=O)(=O)C1CCCC1)N1CCN(c2ccc(Cl)cn2)CC1 69406022 MGOJQZZFBWOEAH-UHFFFAOYSA-N 371.890 1.741 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1c(O)ncc2c1CCCC2 1615159394 VZGDXTLTKPAZNF-FMKPAKJESA-N 350.415 1.167 0 40 FDAB CN(C)CCc1cn(CO)c2ccc(CS(=O)(=O)N3CCCC3)cc12 117312924 KOCKDRPYMWRIJL-UHFFFAOYSA-N 365.499 1.621 0 40 FDAB in-vitro CC(=O)N1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595760 LITHGBWOORYBIZ-RYRKJORJSA-N 361.417 1.128 0 40 FDAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 12362092 KCSLLCIIFQTQHD-CYBMUJFWSA-N 365.455 1.008 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NC[C@H]2CCCO2)n1 12735084 ZEULMBVZPLVHKE-UONOGXRCSA-N 359.430 1.117 0 40 FDAB CS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)cc1 15674820 XFADFUYFANTQBH-HIFRSBDPSA-N 363.439 1.658 0 40 FDAB biogenic,in-vitro CCn1ncc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)c1C 19523939 FWOGZQAQINAYDT-LBPRGKRZSA-N 369.516 1.846 0 40 FDAB COCCC(=O)N1CC[C@@H](c2cc(N3CCN(C(C)=O)CC3)cc(C)n2)C1 19705292 DAKUHLDNOIOQCR-QGZVFWFLSA-N 374.485 1.411 0 40 FDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccnn2C)CCO1 19705458 LPQXSXLYWQRLEU-AWEZNQCLSA-N 371.466 1.963 0 40 FDAB O=C(O)COc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 6322769 UPTWSJSZOKHCLM-MDWZMJQESA-N 370.317 1.405 0 40 FDAB CN(C)c1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225450566 NYDXIQVISBFMAB-ZDUSSCGKSA-N 354.476 1.658 0 40 FDAB CCN1CCO[C@@H](CNC(=O)c2cc[nH]c2C2CC2)[C@@H]1c1cnn(C)c1 618145337 JCOXESRCHZFDHD-WMZOPIPTSA-N 357.458 1.817 0 40 FDAB O=C(C[C@@H](NC[C@H]1CCCO1)C(=O)O)Nc1ccc(Br)cc1 10186523 UJYDRZAIAZUBCH-CHWSQXEVSA-N 371.231 2.000 0 40 FDAB CC(C)[C@@H](OC(=O)COc1ccc(Br)cc1)C(=O)NC(N)=O 6507575 ZQZZIWDRODPWFO-GFCCVEGCSA-N 373.203 1.591 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccccc2)c(=O)[nH]c1=O 10340046 VMZXGVAWCMJMCU-AWEZNQCLSA-N 356.426 1.549 0 40 FDAB COCCN1C[C@@H]2CN(C(=O)c3cc(OC)ccc3Cl)C[C@@H]2C1=O 1565553602 FXEGGWGIRYNEBE-RISCZKNCSA-N 352.818 1.525 0 40 FDAB O=c1c(=O)n2c(nn1CCc1ccccc1)N(c1ccc(F)cc1)CC2 8849039 SPCHIIPJPQOLMD-UHFFFAOYSA-N 352.369 1.939 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1N1CCCC1=O 10188511 VSCYHCGVNIIVQT-UHFFFAOYSA-N 352.394 1.772 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccnn2C)CC1 2055747920 ZLRMBXLURSOMTC-UHFFFAOYSA-N 371.441 1.262 0 40 FDAB CCN1CCN(CCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1 22461388 AINJVAXUCVNVMP-UHFFFAOYSA-N 356.470 1.803 0 40 FDAB CCOC(=O)c1cnc(NC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)s1 585150571 SIYRANRZWKXXAA-SECBINFHSA-N 362.411 1.565 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(C(=O)N2CCCCC2)CC1 40040441 JIOYIDPEGINNLL-UHFFFAOYSA-N 372.425 1.345 0 40 FDAB c1ccc(-n2nnnc2CCCN2CCN(c3ncccn3)CC2)cc1 40153398 VCMIQIUMHYBRRP-UHFFFAOYSA-N 350.430 1.207 0 40 FDAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C1CC1 40152085 AJYPJPIIRGBRCZ-IBGZPJMESA-N 373.497 1.760 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1ccncc1)C1CC1 100769681 UMACUXPYOAAOES-DFEHZGFQSA-N 351.406 1.380 0 40 FDAB COc1cc2cc(CN(CCO)C(=O)C(F)(F)F)c(=O)[nH]c2cc1OC 1367018 MTPZCIQTYVYBOG-UHFFFAOYSA-N 374.315 1.429 0 40 FDAB CN1N=C(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC1=O 32203298 FHEMOOPGAPSKFJ-UHFFFAOYSA-N 368.359 1.962 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101855428 FIJUQUJXUAZFNO-KUDNYVPYSA-N 360.797 1.866 0 40 FDAB OC[C@@H]1O[C@@H](n2ccc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 4775767 XAYGKALBZYZZRV-LUXYFRNMSA-N 373.434 1.335 0 40 FDAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O 4778036 QOKXXIQSHLLVPF-YLALRLGGSA-N 366.366 1.335 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H](c1cccs1)N1CCOCC1 32816905 TUPYZDJKOYFJOC-HNNXBMFYSA-N 357.435 1.825 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1 25008452 ODSYXPBOBDGLKI-UHFFFAOYSA-N 374.466 1.660 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)c1ccsc1 25329591 GRTYXEDDNFQDAP-INIZCTEOSA-N 356.451 1.877 0 40 FDAB COC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(F)cc1 12694122 NZJPNMRLGQLMPD-NVNXTCNLSA-N 352.387 1.074 0 40 FDAB COCCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10434443 IHIPNRLWAYIAHW-GFCCVEGCSA-N 362.879 1.956 0 40 FDAB CCCn1c(CN2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 20680759 KBYKVAFPUDCVPN-UHFFFAOYSA-N 366.487 1.529 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-n3ccnc3)nc1)CS2 58343871 YTAVHZWLQDMAJI-DYVFJYSZSA-N 357.439 1.338 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cccs3)n[nH]2)CC1 58325312 YVMZGMZPKMFCOD-UHFFFAOYSA-N 354.457 1.748 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 12758848 NRDIHXOZVBIPML-UHFFFAOYSA-N 373.478 1.553 0 40 FDAB O=C1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CCN1 12736079 IJDLTLUHWLPQGW-UHFFFAOYSA-N 371.397 1.707 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 48275465 AUBYFHLJNQQBRI-XJKSGUPXSA-N 374.441 1.937 0 40 FDAB COc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC 12852181 VREWXMAJWQDVRW-UHFFFAOYSA-N 369.381 1.618 0 40 FDAB CCCC(=O)N1C[C@H]2[C@@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306142320 WVWYBFZBMCVFSB-UONOGXRCSA-N 366.487 1.310 0 40 FDAB COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 4145290 HRXJCJCATKPSHE-WMLDXEAASA-N 357.410 1.667 0 40 FDAB COc1ccccc1O[C@H](C)C(=O)Nc1nnc(S(C)(=O)=O)s1 13629696 BXMYJFSYOKVQTO-MRVPVSSYSA-N 357.413 1.356 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O 5172907 FOIYUVHJEXNHCG-UHFFFAOYSA-N 364.405 1.768 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 6217979 GBECXGTYDASJFR-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@@H]2C1 306139883 UDKZRQDTINXPBY-OLZOCXBDSA-N 357.483 1.845 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1 5389314 FKYWSEAREHQRDP-ZDUSSCGKSA-N 372.377 1.599 0 40 FDAB CCCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 14251656 AEQJHBVCIOEVFH-UHFFFAOYSA-N 357.476 1.999 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 6589800 QXPKCWUUXBPMBS-UHFFFAOYSA-N 368.484 1.164 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C(N)=O 8762325 OXBOHXMIHRNVQQ-ZDUSSCGKSA-N 368.817 1.762 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@H](CO)C2)c1 5693035 DPRGTTQQAPRWIJ-LBPRGKRZSA-N 357.501 1.338 0 40 FDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 66379910 NTLPQJHVXIOZOK-CYBMUJFWSA-N 354.414 1.537 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCC(F)(F)F)CC2=O)cc1 7429448 USKVRJKKPGHAPF-LLVKDONJSA-N 358.316 1.570 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)CC(=O)N2 21776904 ICHMCLLPHKOHKS-JTQLQIEISA-N 364.199 1.321 0 40 FDAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCCO1 9337314 SUZNJTBXEKLMJH-INIZCTEOSA-N 365.389 1.692 0 40 FDAB Cc1cccc(CN2CCN(C(=O)c3snnc3C)C[C@H]2CCO)n1 72425237 LHILUANRWBBRLO-OAHLLOKOSA-N 361.471 1.259 0 40 FDAB COC(=O)C[C@H](c1c(O)cc(C)[nH]c1=O)c1cc2ccccc2n(C)c1=O 72405162 RZKPQOIQMVJMIG-ZDUSSCGKSA-N 368.389 1.936 0 40 FDAB CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 95469647 LRFCQWRLEWHBGW-HOTGVXAUSA-N 368.499 1.570 0 40 FDAB COCC(=O)NCC[C@@H]1CN(Cc2cnn(C(C)C)c2)Cc2ccnn21 306126408 DUVLUHNPWFRMAP-MRXNPFEDSA-N 360.462 1.370 0 40 FDAB CN1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H](c2ccccc2)C1 39982728 WSMOGLNQGISVEO-LJQANCHMSA-N 362.433 1.912 0 40 FDAB Cc1nc(C)c(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)s1 547550920 UCCIXPOHNPERMD-LLVKDONJSA-N 355.441 1.377 0 40 FDAB CCOC(=O)C(Cc1cc(=O)[nH]c2ccccc12)(NC(C)=O)C(=O)OCC 39614651 ALGGJCHJAMWLFH-UHFFFAOYSA-N 374.393 1.072 0 40 FDAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNCc1cnn(Cc2ccccc2)c1 527568085 LMGCAULXEHCWOC-RCCFBDPRSA-N 352.442 1.694 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)COC 218205171 QKADZLWLXDYNMR-MGPQQGTHSA-N 362.289 1.941 0 40 FDAB Cc1cn2nc(N[C@H]3CCN(C(=O)COc4ccccc4)C3)ccc2n1 557100738 QCXHWLFXLJSQMZ-HNNXBMFYSA-N 351.410 2.130 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218110727 PBJGCISNFYSCRO-MSOLQXFVSA-N 362.447 1.914 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2[C@@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1 72265563 UBOKTTMKVJUYSR-MRVWCRGKSA-N 353.396 1.791 0 40 FDAB COc1ccc(-c2c3c(C)n[nH]c3nc3c2c(=O)n(C)c(=O)n3C)cc1 72332768 RCXJVUZTMUXESN-UHFFFAOYSA-N 351.366 1.493 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)n1ccc2c(cnc3ncnn32)c1=O 40372755 FULPUHBRZJYOKU-INIZCTEOSA-N 374.360 1.789 0 40 FDAB O=C(Cc1ccc(-n2cnnc2)cc1)N[C@H]1CCN(CC(F)(F)F)C1 567686557 OTVVPIMAMTXSCT-ZDUSSCGKSA-N 353.348 1.563 0 40 FDAB COc1ccc(-c2ncc(C(=O)NCCCN3CCOCC3)c(C)n2)cc1 223146511 ROHOHJKOQBJAHA-UHFFFAOYSA-N 370.453 1.913 0 40 FDAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 47080907 ONPKFBGCUXBMBM-VIFPVBQESA-N 367.254 1.519 0 40 FDAB COc1ccc(NC(=O)C(=O)NCCc2nc(-c3ccccc3)no2)cn1 40286936 QYVVSNXBYOEWIC-UHFFFAOYSA-N 367.365 1.438 0 40 FDAB CCCNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 224851038 XZJWRIXXXXOURE-UHFFFAOYSA-N 370.471 1.175 0 40 FDAB Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl 224181355 SFTVIYLTBKHPFB-ZDUSSCGKSA-N 374.890 1.815 0 40 FDAB CC(C)CNC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)N2CCCC2)CC1 96263633 QOUVOCYPWUCAMP-VQIMIIECSA-N 350.507 1.761 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccncc2)C1 96227589 RHXOSDHCCAXPKR-NVXWUHKLSA-N 351.472 1.396 0 40 FDAB COc1ccc(-c2nn(CCCC(=O)NC3CC3)c(=O)cc2OC)cc1 96100901 URHWWOIHSWBARP-UHFFFAOYSA-N 357.410 1.986 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(CC1CC1)C2 96209936 HPMGAAVYTNPRMY-QGZVFWFLSA-N 356.532 1.939 0 40 FDAB CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCCC1 96112998 VXJIWMPQMKYLGG-ZWKOTPCHSA-N 364.534 1.358 0 40 FDAB biogenic,in-vitro COC(=O)c1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1C 96118558 QSPWMKDJKBQUHE-UHFFFAOYSA-N 362.411 1.312 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96205806 FMEBPQRTWCZRES-CVEARBPZSA-N 355.460 1.028 0 40 FDAB Cc1ccc(CN2CCCn3c(nc(Cn4cncn4)cc3=O)C2)s1 96059618 ZIASKMWGCRWSBX-UHFFFAOYSA-N 356.455 1.659 0 40 FDAB O=C(c1ccsc1)N1CCO[C@]2(COCCN(c3cccnc3)C2)C1 96076856 VMOFNQXEYYNGCC-SFHVURJKSA-N 359.451 1.891 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)NC2CCCC2)C1 248036849 MZTUQSUGMYDVPT-MRXNPFEDSA-N 369.469 1.982 0 40 FDAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)N[C@H](C)Cc2ccccn2)[C@H]3C1=O 248136642 AEXXPHRACSDCGC-AOJZQBIQSA-N 355.438 1.319 0 40 FDAB CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)COC[C@H]1CCCO1)C2 248107166 GBGBTDLPZNTFDM-NVXWUHKLSA-N 360.458 1.324 0 40 FDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247814108 ACPWIGYAPDYPMR-KNLUSZGBSA-N 374.437 1.713 0 40 FDAB O=C(C[C@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCOCC1 247894975 ZNKXXFFUTMCNLJ-IBGZPJMESA-N 354.454 1.731 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cccn3C)C2)cc1 257278977 OELNCHZSNJXWLE-FQEVSTJZSA-N 357.454 1.743 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@@H](c2ccc3c(N)n[nH]c3n2)C1 257254358 KCSAOWNPYWUCLY-GFCCVEGCSA-N 353.430 1.705 0 40 FDAB CCOC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](OCC)[C@H]1OCC 253618109 RFYAWWPXHYUJQA-BTABJRDXSA-N 369.397 1.292 0 40 FDAB COCCN1C(=O)CO[C@H]2CCN(C(=O)Cc3cccs3)CC[C@@H]21 257280764 OMGSVNPMCBQAJV-GJZGRUSLSA-N 352.456 1.155 0 40 FDAB Cc1nn(-c2ccccc2)cc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 643754573 ADIAOIUJZXLOIO-FQEVSTJZSA-N 356.470 1.986 0 40 FDAB CCc1nccn1[C@@H]1CCCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 654639461 TXMKSMQVLIIGIS-ZIAGYGMSSA-N 373.461 1.962 0 40 FDAB C[C@@H](C(=O)Nc1n[nH]c2cc(F)ccc12)N1C(=O)NC2(CCCC2)C1=O 682821665 DUTQUCVZZKUWKC-VIFPVBQESA-N 359.361 1.894 0 40 FDAB O=C(CCc1cc(O)no1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287999 LJTJJZDTQJWKTA-ZSZQSSIHSA-N 358.394 1.459 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 585293090 WPVGBVKQYMVXPP-NFBGWVBBSA-N 367.457 1.834 0 40 FDAB COCc1csc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 585101643 BWIUEGPSQFAGHB-OAHLLOKOSA-N 367.515 1.259 0 40 FDAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 585097391 KQSSUVNZGYLEQU-OAHLLOKOSA-N 355.442 1.797 0 40 FDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)Cc2ccccc21 599504982 JYNFONYVPOUJCU-XJKSGUPXSA-N 352.456 1.878 0 40 FDAB Cc1cc(C)cc(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685943528 XYRRJNHGKVCNTB-ZMSDIMECSA-N 358.442 1.482 0 40 FDAB Cn1cc2c(n1)CCC[C@H]2NCCCN1CCN(c2ncccn2)CC1 684549968 GAZRUKJFTDCGLG-QGZVFWFLSA-N 355.490 1.389 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1 888106961 GUNAXWHWVFZDPS-UHFFFAOYSA-N 356.444 1.245 0 40 FDAB CC[C@H](C)[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)n1cnnn1 1615155136 MZZDQYLHPUSAPI-XJKSGUPXSA-N 368.445 1.709 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615124588 WWLBBLNJFPICAX-SFHVURJKSA-N 364.373 1.113 0 40 FDAB O=C(Cn1ncc2cccn2c1=O)N1CCC(Cc2ccccc2)CC1 12143250 QMKDSNBSXOKDJR-UHFFFAOYSA-N 350.422 1.977 0 40 FDAB Cc1coc2cc3oc(=O)c(CC(=O)N4CCNC(=O)C4)c(C)c3cc12 12902860 KYPYLRXLTYOADE-UHFFFAOYSA-N 354.362 1.657 0 40 FDAB biogenic CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 13002966 WZRZGSXSNSKBTR-UONOGXRCSA-N 352.412 1.590 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13266024 VZCLJANMSHWQSD-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB COc1ccc(OCCNC(=O)CN2C(=O)COc3ccccc32)cc1 15514538 YSCWSAYKFRZNSD-UHFFFAOYSA-N 356.378 1.616 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2nccnc21 19021458 ATUIEEZNHVYFKR-OAHLLOKOSA-N 370.457 1.469 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CC(C)C)c3ncccc23)C1 19446734 NDNLETUCKPZVIN-OAHLLOKOSA-N 357.458 1.929 0 40 FDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 19706509 ZCWDSKTUODMKSO-MRXNPFEDSA-N 373.432 1.648 0 40 FDAB Cc1nc(C(=O)N2CCN(c3ncccn3)CC2)cc(C(F)(F)F)n1 1888844109 YSWMVXYTISGCNM-UHFFFAOYSA-N 352.320 1.556 0 40 FDAB Cc1nccc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1 1888844122 ZYQVWRDSASUDBK-UHFFFAOYSA-N 357.336 1.580 0 40 FDAB Cc1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1889110055 VELWJJSHLRMVNU-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1889151310 PZUHIAUBMDQEKT-UHFFFAOYSA-N 364.457 1.824 0 40 FDAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1614929942 KKQFZABRKUYBNC-RDTXWAMCSA-N 373.482 1.544 0 40 FDAB CCN1CCN(C(=O)NCCc2ccc(-c3ccco3)s2)C(=O)C1=O 2087145392 GTVOGQHNHIDFPJ-UHFFFAOYSA-N 361.423 1.951 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)CC3(O)CCC3)C2)CC1=O 1565554127 KNFLYLQBNNOFGS-GOSISDBHSA-N 361.442 1.548 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(O)c2cn[nH]c2n1 4249634 ZIHCHXBJSWRPJD-UHFFFAOYSA-N 373.394 1.966 0 40 FDAB COCCNC(=O)Cn1nc(-c2cccs2)c2sc(C)nc2c1=O 8956048 OZHRDKKKCYBHJZ-UHFFFAOYSA-N 364.452 1.653 0 40 FDAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCC2)C1 2055747182 OELYOGPVCTXJHZ-IBGZPJMESA-N 363.433 1.771 0 40 FDAB Cn1nnnc1SCC(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735623 CFPQDLTWVZHMQZ-UHFFFAOYSA-N 373.467 1.910 0 40 FDAB O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccco2)on1 38754439 KGEYFXAHZWOPKL-NSHDSACASA-N 358.379 1.845 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225574732 HYZBPKHVEXEQLK-CQSZACIVSA-N 367.540 1.698 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NCc2ccc(-c3cnn(C)c3)nc2)c1 575615812 IJUDEGJKQPMWCX-UHFFFAOYSA-N 360.443 1.738 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)nc(O)c1F 2298049979 LOSKVBKDCVOPBX-LBPRGKRZSA-N 362.409 1.551 0 40 FDAB CCOC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2cccnc21 5055080 DMCIDGNHCIRAGA-UHFFFAOYSA-N 373.796 1.823 0 40 FDAB CC(C)N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C1CC1 26942146 JVHOAWVITWGDBN-GFCCVEGCSA-N 351.472 1.484 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 40087656 DZZQIIMVNXLESO-LJQANCHMSA-N 358.486 1.326 0 40 FDAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccccc12 100030043 SVAGUPQNGYPJEF-ZQIUZPCESA-N 350.440 1.852 0 40 FDAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 40111637 ZUUKINRJAINQCK-UHFFFAOYSA-N 367.409 1.259 0 40 FDAB CN1C(=O)c2ccc(C(=O)NCCc3ccc4c(c3)OCCO4)cc2C1=O 31354271 XXNJQPZZKWLYLG-UHFFFAOYSA-N 366.373 1.656 0 40 FDAB COc1ccccc1OCCNC(=O)C[C@H]1Oc2ccccc2NC1=O 31357854 VYFSKKSSGOQHIH-QGZVFWFLSA-N 356.378 1.980 0 40 FDAB O=C(CCNS(=O)(=O)c1cccs1)Nc1nc2ccccc2[nH]1 17303741 YAJMLJIVTZVWFC-UHFFFAOYSA-N 350.425 1.932 0 40 FDAB NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 101344658 ZXXJFGRXHYTOFZ-YRXWBPOGSA-N 373.412 1.683 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 57674863 TVVDBTNDTBPYCS-UHFFFAOYSA-N 371.393 1.463 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2OC)cc1 8158410 NCFKPXOECOUBDW-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cnn(C)c1C 17073560 XDJCYGRDOFHEJZ-SNVBAGLBSA-N 356.308 1.714 0 40 FDAB COc1ccccc1N1CCN(C(=O)CCn2c(C)csc2=O)CC1 24153789 ZWYCBQLTYYRMRB-UHFFFAOYSA-N 361.467 1.966 0 40 FDAB Cn1ncc2c(NCCO)nc(N3CCN(Cc4ccccc4)CC3)nc21 22664729 KOHHYIIVJFKXFA-UHFFFAOYSA-N 367.457 1.090 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)CN(C)CC2 23608861 UVCQHMYCIMRPEJ-UHFFFAOYSA-N 374.466 1.898 0 40 FDAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H]1CCOC1 42725694 SYKUCFPPJLOKMD-GOEBONIOSA-N 351.422 1.946 0 40 FDAB O=C(NC1CCCCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 24428592 CQVDHFCJPPZKLP-UHFFFAOYSA-N 357.462 1.965 0 40 FDAB CO[C@@](C)(C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 106771011 ATGQDTVZNTZMLN-LJQANCHMSA-N 358.442 1.716 0 40 FDAB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 58160045 PSPBIKQTAZDFCS-CQSZACIVSA-N 361.467 1.471 0 40 FDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCc1ccco1 57842425 MRPJJAKAMWYLHJ-LBPRGKRZSA-N 351.428 1.236 0 40 FDAB 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FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 6757175 GFONBCINBRMLNM-UHFFFAOYSA-N 367.471 1.570 0 40 FDAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1cccs1 4846598 DGWIISOLTRQYRT-JTQLQIEISA-N 350.421 1.770 0 40 FDAB CCCCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 4930346 FHDPQMWBYAHCSJ-UHFFFAOYSA-N 361.490 1.856 0 40 FDAB CN(CCc1ccncc1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000076 AWNNBAWCSBYRLO-UHFFFAOYSA-N 359.451 1.410 0 40 FDAB CNc1nc(N(C)C)nc(-n2cnc(SCCOc3ccccc3)n2)n1 9304889 RLSQSFLPGJTGDR-UHFFFAOYSA-N 372.458 1.731 0 40 FDAB C[C@@H]1CN(c2ccccc2NC(=O)NC[C@](C)(O)CN(C)C)C[C@@H](C)O1 89936873 UNUFRAXFPLLOCL-CLCXKQKWSA-N 364.490 1.734 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cn1C 72305600 MTYFOPQRHDWTMD-UHFFFAOYSA-N 352.412 1.641 0 40 FDAB COC(=O)CN(CC(=O)NCCOc1cccc(C)c1)C1CCOCC1 72305011 DRPJMNTXHYCSBO-UHFFFAOYSA-N 364.442 1.144 0 40 FDAB CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C(=O)O 95969991 WACFBTAMZMVFSN-MGPLVRAMSA-N 354.428 1.380 0 40 FDAB 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1.497 0 40 FDAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 9002089 NGIGVCJWQSZHKQ-SNVBAGLBSA-N 352.350 1.758 0 40 FDAB O=C(C[C@H]1CSc2nccc(=O)n21)N1CCN(c2ccccc2F)CC1 12236131 RUMXRCZPAQUYGV-ZDUSSCGKSA-N 374.441 1.768 0 40 FDAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178465 SMRSCAQAXDAKQP-GOSISDBHSA-N 359.470 1.625 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ncccn2)CC1 2055750901 KFCLVPGGKDHNRM-UHFFFAOYSA-N 369.425 1.318 0 40 FDAB CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)CCS(C)(=O)=O)C2 2055719507 YLHRYOQKJACLDV-UHFFFAOYSA-N 364.471 1.591 0 40 FDAB CN(C)C(=O)COCC[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ccnn21 2055751343 MWPDFDKDRYOVAY-AWEZNQCLSA-N 370.400 1.307 0 40 FDAB COc1cccc(-n2ccn(CC(=O)Nc3ccccc3)c(=O)c2=O)c1 20489014 ZKLCWBUOJTWEQK-UHFFFAOYSA-N 351.362 1.647 0 40 FDAB O=C(Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O)Nc1ccccc1 20489092 AVKBPZGAZUDZDN-UHFFFAOYSA-N 357.316 1.916 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3ccco3)on2)CC1 36662463 AQMJPTQNFNUVBK-UHFFFAOYSA-N 353.400 1.222 0 40 FDAB 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CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 6154395 PHMFADUQYVQKKJ-INIZCTEOSA-N 374.397 1.774 0 40 FDAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 7192834 AAXVQMVIPHMEJM-ZETCQYMHSA-N 358.470 1.613 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 32809246 CELXWUWTNBJMNH-KBPBESRZSA-N 355.460 1.092 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1C(N)=O 32859780 MWHCSQOXOMHVCA-UHFFFAOYSA-N 351.765 1.995 0 40 FDAB NC(=O)[C@@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1 32878787 WUGYSDZSRDNIKI-KRWDZBQOSA-N 352.346 1.723 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1 10385210 NQEIQFILAWBMFR-KGLIPLIRSA-N 350.440 1.795 0 40 FDAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1 9140195 YVEZQZHTYZHADN-UHFFFAOYSA-N 362.415 1.227 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1 12406498 HHNBZVAUKUYJQQ-INIZCTEOSA-N 351.366 1.176 0 40 FDAB Cn1nc(C2CC2)cc1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1ccnn1C)C2 100210057 RHKUMIQPNWZFBD-ZIAGYGMSSA-N 355.442 1.686 0 40 FDAB CS[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2O)CC1 54115665 ODXVMYROPZWBDT-LBPRGKRZSA-N 358.485 1.285 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(C(C)(C)C)n1N 23632294 XPZGYFUDJYIFSO-QWRGUYRKSA-N 368.507 1.786 0 40 FDAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)NC(=O)c1ccco1 24711278 PRIRQHZHFVTKHS-HNNXBMFYSA-N 373.361 1.951 0 40 FDAB NC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCC(O)CC2)cc1 55888102 UXXBHEJZSWZYBT-UHFFFAOYSA-N 368.437 1.797 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)C1=O 3369225 IVVMZYSAOPFGBH-STQMWFEESA-N 367.446 1.335 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(N(C)C)cc2)c1=O 57478686 WSZPZSXOIGLFJA-UHFFFAOYSA-N 372.450 1.949 0 40 FDAB CC(=O)NCCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccco2)cc1 10030932 OCOHECUBEMQAHL-ZDUSSCGKSA-N 358.394 1.992 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2nccs2)CC1 10269768 FCLNMVWRNRZRTI-UHFFFAOYSA-N 361.452 1.263 0 40 FDAB CCNC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(F)(F)F 58209186 HIIIZDCHQGALNG-SECBINFHSA-N 367.397 1.294 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCSCC2)c1 58390636 ORQASYARVXGMNP-UHFFFAOYSA-N 373.452 1.387 0 40 FDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(Cl)cc1)CN=2 2251246 ICGBQSQMRFDIPG-DHDCSXOGSA-N 356.838 1.842 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(C(=O)NCc2cccnc2)n1 36365732 VWQVYUMHDLLZOH-UHFFFAOYSA-N 367.365 1.584 0 40 FDAB O=C(c1ccc[nH]c1=O)N1CCN(CCOc2ccccc2Cl)CC1 28636824 DGDOEUTUCPNEBQ-UHFFFAOYSA-N 361.829 1.865 0 40 FDAB COC(=O)c1c(SCC(=O)Nc2ccc(F)cc2)nc(=O)[nH]c1C 12874020 XVBFWGKLMXLWBO-UHFFFAOYSA-N 351.359 1.735 0 40 FDAB CC(C)[C@H](C(=O)NCc1ccccc1CN1CCOCC1)N1CCCC1=O 69946948 ZOTDHBHJQZVEEN-HXUWFJFHSA-N 373.497 1.782 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13252244 DEZPQPKYRKSQOI-UONOGXRCSA-N 352.412 1.542 0 40 FDAB Cc1cc(C)c(C(N)=O)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 14141867 OEQGYVWMGGXGCH-UHFFFAOYSA-N 368.437 1.848 0 40 FDAB NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCNC(=O)CC2)c1 65901706 DOMRPLHSYICVIG-UHFFFAOYSA-N 367.405 1.327 0 40 FDAB O=C(CN1C(=O)COc2ccccc2C1=O)c1ccc2c(c1)OCCO2 6669604 ASGAGQVPTSJOIR-UHFFFAOYSA-N 353.330 1.702 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1nc(N)nc(N(C)C)n1 9156168 DORFFMNKRCCHLR-LLVKDONJSA-N 358.471 1.731 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2ncc(-c3ccc(Cl)cc3)o2)n(C)c1=O 7064785 BKDMYIIMLMXFHY-UHFFFAOYSA-N 371.784 1.790 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763611 FLEWHZVVZQTJDL-UHFFFAOYSA-N 352.441 1.723 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCc2ccccc2)cc1 20245493 JTAZPBLZCVZYJB-UHFFFAOYSA-N 361.467 1.902 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NOCc1ccccc1 8096898 PSLCXNQNNFTSQW-LBPRGKRZSA-N 359.407 1.362 0 40 FDAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 8157401 NEYPXTDUCGPVSH-JTQLQIEISA-N 358.416 1.513 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CN1C(=O)COc2ccccc21 8313936 DEEZKKMVBMEWLV-UHFFFAOYSA-N 371.368 1.648 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2CCOCC2)c(Br)c1 19844343 GGPYMRUVRKNPJO-UHFFFAOYSA-N 350.190 1.168 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 96999645 OHNDYPJZDQJACZ-ZFWWWQNUSA-N 361.442 1.989 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 20037391 JRWCCFMQJMCBTM-LLVKDONJSA-N 362.382 1.848 0 40 FDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 97013920 WFNJUDICUNXGEZ-ZDUSSCGKSA-N 362.411 1.324 0 40 FDAB CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)n1 84210545 UCXOISAULVIIFL-CYBMUJFWSA-N 368.865 1.867 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@H](C)Oc1ccccc1Br 95964557 QNGSZQDMQDOVOO-QMMMGPOBSA-N 368.187 1.540 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306132214 LBTNSPUWAGVNGU-CQSZACIVSA-N 350.440 1.276 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)n1 306131834 KQQDPLOUPSKNEZ-HNNXBMFYSA-N 372.425 1.235 0 40 FDAB O=C(CCCn1cnnn1)N1CCN(Cc2cccc3ccccc23)CC1 524735510 GVZXVCAZAAYZLI-UHFFFAOYSA-N 364.453 1.951 0 40 FDAB CNC(=O)CN1CCC(NC(=O)c2cnc(Oc3ccccc3)cn2)CC1 536898672 XPGGGCNFQBOSAW-UHFFFAOYSA-N 369.425 1.209 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 36182672 GKDKZFXFJHEQCE-UHFFFAOYSA-N 367.456 1.007 0 40 FDAB COc1ccc(S[C@@H](C)C(=O)NCCN2CCOCC2)cc1OC 216377550 NIIFRWJDPBPEBM-ZDUSSCGKSA-N 354.472 1.633 0 40 FDAB CCSc1nnc(NC(=O)Cn2nc(-n3cccn3)ccc2=O)s1 70655884 RNRSTKCFKMMZEY-UHFFFAOYSA-N 363.428 1.031 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3c[nH]ccc3=O)c2c1 44922162 FYSXXZCQYOCTQQ-UHFFFAOYSA-N 354.366 1.162 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1Cl 226686253 UZJNOAUEQGEMBL-UHFFFAOYSA-N 372.830 1.845 0 40 FDAB Cn1ncc2c(=O)[nH]c(NC[C@H](c3ccc(F)cc3)N3CCOCC3)nc21 60381200 ZSVXOWLNBBGVAW-OAHLLOKOSA-N 372.404 1.281 0 40 FDAB CCOC(=O)c1cc(C)nn(CC(=O)Nc2ccc(OCC)cc2)c1=O 225962207 OGSNHTJIOLPJSU-UHFFFAOYSA-N 359.382 1.766 0 40 FDAB O=C(C1CCC1)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96144864 IIDLPEQCQYXMCM-MRXNPFEDSA-N 372.469 1.522 0 40 FDAB Cc1cc(NC(=O)CN2CC(=O)N(CC3CC3)C2)n(-c2ccccc2F)n1 578079657 QHBYGJLUIOYNML-UHFFFAOYSA-N 371.416 1.770 0 40 FDAB O=C1CS[C@H](c2ccc[nH]c2=O)c2c(O)nn(C3CCOCC3)c2N1 96117342 RHIXTRQUDHRSIF-CYBMUJFWSA-N 362.411 1.403 0 40 FDAB CC(C)N1C[C@]2(CO[C@@H](C(=O)NCCN3CCOCC3)C2)c2ccccc21 96144457 PMWOXOJZCLLLLO-TZIWHRDSSA-N 373.497 1.390 0 40 FDAB CCN1CCN([C@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1 96301205 ONDIJOMAZWLSEU-AWEZNQCLSA-N 366.259 1.719 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3C(=O)c2ccc(O)nc2)Nc2ccccc21 248070206 XRPQGYWDWXKXKP-KPAZRMRSSA-N 350.378 1.716 0 40 FDAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2CC3(CCOCC3)OC2=O)n1 257322102 WEPKIYFLRATCJF-CQSZACIVSA-N 360.414 1.974 0 40 FDAB CCc1nccn1CCC(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 257258517 KUIMTWFEZDDFEI-KRWDZBQOSA-N 357.458 1.794 0 40 FDAB CS(=O)(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257200085 ABXUVSSOZWJNLH-GOEBONIOSA-N 358.410 1.753 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3cnn4cccnc34)C2)ncn1 257295027 QWQGECSMYDEOGK-AWEZNQCLSA-N 352.398 1.159 0 40 FDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CCN21 253406417 ULMNNQLJYKSSPT-VXKWHMMOSA-N 366.509 1.835 0 40 FDAB biogenic,in-vitro Cc1nc(CN2CC[C@H](n3cc(C)c(O)nc3=O)[C@@](C)(O)C2)cs1 257212016 CBOMEDDBBJXGQP-BBRMVZONSA-N 350.444 1.220 0 40 FDAB Cc1nccn1CCCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257211036 BXHGKPKGYPBISV-SFHVURJKSA-N 369.469 1.170 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)C1CCC(F)(F)CC1 257262013 LJQYQFFNNFGNPD-MRXNPFEDSA-N 354.401 1.750 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cn1C1CC1 283697654 IATHEOMAJMPBHE-UHFFFAOYSA-N 367.453 1.891 0 40 FDAB CO[C@@H]1CN(Cc2nc(CCc3ccccc3)no2)C[C@H]1c1cnn[nH]1 621320011 YQHCKWOJEFSWQV-GOEBONIOSA-N 354.414 1.587 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cnc(CC3CC3)nc2)C1 626558312 WPUALPOFQOJBOD-ZDUSSCGKSA-N 367.475 1.222 0 40 FDAB CC(C)n1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)O)O2)c1 630230205 GDYCKDWGKBQZHZ-BPNCWPANSA-N 359.386 1.738 0 40 FDAB CN1CCS(=O)(=O)C[C@H]1CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 644456552 UWTBKTOXUCWUGU-QLFBSQMISA-N 356.875 1.431 0 40 FDAB Cc1nc(C)c(Br)c(N2CCC3(CC2)CNC(=O)N3C)n1 664034101 JJRLRKHHMXMVNL-UHFFFAOYSA-N 354.252 1.850 0 40 FDAB CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1 604855742 TXHULZCABKAZOB-UHFFFAOYSA-N 371.470 1.849 0 40 FDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2ccncc2C)C1 585277613 NOVQGCCRSYOPTI-HXUWFJFHSA-N 356.422 1.981 0 40 FDAB Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2Cc2cc(C)on2)n1 585094714 ISLYJKKEFXUHHD-OAHLLOKOSA-N 354.414 1.821 0 40 FDAB O=C(NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21)c1cnccn1 585111848 CVBMYBZRNGKQKU-MRXNPFEDSA-N 363.425 1.445 0 40 FDAB O=C(C1CC(O)C1)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 585113539 CXOORYZHTXHSEU-JTTJXQCZSA-N 350.484 1.570 0 40 FDAB O=S(=O)(C1CC1)N1CCCN(c2ncnc3ccc(F)cc23)CC1 669970871 QBFFLODPPBZFFZ-UHFFFAOYSA-N 350.419 1.773 0 40 FDAB COC(=O)C1(C(=O)Nc2ccc(-n3nnnc3O)cc2)CC2(CCC2)C1 597553835 QLBDSEKXIIRLIQ-UHFFFAOYSA-N 357.370 1.430 0 40 FDAB CCN(CC)C(=O)CN1C(=O)C2(OCC(C)(CO)CO2)c2ccccc21 12411517 OINAUCXVYLJPJL-UHFFFAOYSA-N 362.426 1.100 0 40 FDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 12589589 LBBNRZJVRPPBLT-UHFFFAOYSA-N 369.421 1.870 0 40 FDAB CCOC(=O)N1N=C(C(=O)OC)/C(=C(/Br)C(=O)OC)S1 16682954 KBGWXJZHZDPCAK-ALCCZGGFSA-N 367.177 1.415 0 40 FDAB O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@H]1CCCO1 19697825 LSAAVZLDQFYPHL-MRXNPFEDSA-N 373.457 1.125 0 40 FDAB CN1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699943 WXPYNLGDVBVYSK-SFHVURJKSA-N 370.497 1.710 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCC[C@H](c4nnc5n4CCC5)C3)ccc21 518032136 BIDZBFZJSOHODQ-ZDUSSCGKSA-N 366.425 1.836 0 40 FDAB CN1CCOc2ccccc2C(=O)NCCCCC2(CCNCC2)C1=O 643588126 VLYZKXAXUNYUJX-UHFFFAOYSA-N 359.470 1.807 0 40 FDAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 18906502 WWBUTFIFBQFCHI-GFCCVEGCSA-N 366.421 1.664 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccsc2n1 37189594 CVVCRQLPAGMBPA-OAHLLOKOSA-N 355.419 1.856 0 40 FDAB Cc1nccnc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037984716 LDYFGRWBMJNMPS-IIDMSEBBSA-N 370.384 1.047 0 40 FDAB O=C(CCn1cccn1)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223423 KONBWTVOJAJGSA-LJQANCHMSA-N 354.458 1.972 0 40 FDAB O=C([C@@H]1CCOC1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1614928226 LFKJSKPJBOGBPI-CYBMUJFWSA-N 354.414 1.141 0 40 FDAB COC1(CC(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)CCC1 1565551393 DLLWRSZZDDLDOY-UTKZUKDTSA-N 372.465 1.799 0 40 FDAB Cc1ccc(N2CCn3c(SCC(=O)N4CCOCC4)nnc32)cc1 9651563 YDIDTLZXXWHSMR-UHFFFAOYSA-N 359.455 1.689 0 40 FDAB CCc1ccc(C(=O)N2CCCC3(CCN(CC(=O)NC)CC3)C2)cn1 2055793491 JYEGKHYIAHQELP-UHFFFAOYSA-N 358.486 1.708 0 40 FDAB O=C(CN1CCO[C@@H](C(=O)N2CCSCC2)C1)Nc1ccccc1F 2086868896 XNJVNUZEGRDRBX-OAHLLOKOSA-N 367.446 1.040 0 40 FDAB O=c1ccc(-n2cncn2)nn1CC1CCN(C[C@H]2CCCCO2)CC1 585500907 SCUQOUITBACWGG-MRXNPFEDSA-N 358.446 1.105 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1 206936533 QVXCHAZTENYGPA-LBPRGKRZSA-N 351.388 1.092 0 40 FDAB Cn1ccnc1[C@](O)(CC(=O)Nc1nnc(C2CC2)s1)C(F)(F)F 40049299 WIWPKSBSGJUTNB-GFCCVEGCSA-N 361.349 1.928 0 40 FDAB Cc1cccc(NC(=O)C2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)n1 40154624 BGQWWQSCEXAIBH-CQSZACIVSA-N 368.441 1.858 0 40 FDAB Cc1ccc(C)c(-n2cnnc2SCc2cc(=O)n(C)c(=O)n2C)c1 11394593 QZKCZYAQMJQXSR-UHFFFAOYSA-N 357.439 1.574 0 40 FDAB CC(=O)O[C@H]1CO[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403703 LHFOAGYPATWZGW-MLHJIOFPSA-N 366.366 1.355 0 40 FDAB O=C(CSc1ccc2c(c1)OCCO2)NCc1nnc2ccccn12 32524107 ZUTWBNVXYLIQTO-UHFFFAOYSA-N 356.407 1.909 0 40 FDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 7131537 XUGXNDSVIPKVMU-PIGZYNQJSA-N 367.352 1.027 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2617229 OFSHFBBNFTZJNO-AWEZNQCLSA-N 365.363 1.230 0 40 FDAB CSCC(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]12 8296789 RLQBGJWLSOJZNW-GWCFXTLKSA-N 353.831 1.354 0 40 FDAB biogenic,in-vitro COC(=O)[C@@]12C[C@]3(C)O[C@@]1(C)OC(=O)[C@]2(Cc1ccccc1)N3C(C)=O 104111088 PKEFXYCLUPEOGI-RDGPPVDQSA-N 359.378 1.399 0 40 FDAB Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2c(C)nn(C)c2n1 32900261 NAMBEIWWUZDNGS-INIZCTEOSA-N 363.421 1.638 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)Nc3nc(-c4ccc[nH]4)cs3)cnc21 21469542 MYUWEDFZZAGQCR-UHFFFAOYSA-N 369.410 1.610 0 40 FDAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(S(C)(=O)=O)CC1 22079288 IOQQTIXXOXREDW-HNNXBMFYSA-N 370.515 1.301 0 40 FDAB COCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 100181537 ACPWIGYAPDYPMR-LROULRCXSA-N 374.437 1.713 0 40 FDAB C[C@@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc3nncn3n2)CC1 47278142 WNZOTOMDGQNBGI-AWEZNQCLSA-N 365.441 1.955 0 40 FDAB Cc1nc(C)c(CC(=O)NCc2ccc(N3CCCCC3)nc2)c(=O)[nH]1 53510003 DAQFVGZUZIXUOZ-UHFFFAOYSA-N 355.442 1.631 0 40 FDAB CC(C)C[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(N)=O 3087659 WFDIEQNPRBNOQQ-JKSUJKDBSA-N 363.458 1.954 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 22934142 XOIGXGBGGJEXPG-INIZCTEOSA-N 371.485 1.035 0 40 FDAB CNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23552165 QVQHYCYEBVWAPT-UHFFFAOYSA-N 352.346 1.386 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c1 54534301 IESZWKSHHQGSBM-OAHLLOKOSA-N 352.456 1.315 0 40 FDAB O=C([C@@H]1CC=CCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24032147 JSRIOKKAJRSIRZ-OAHLLOKOSA-N 352.438 1.924 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108535867 QPGBTXXQRLJBIO-IRXDYDNUSA-N 350.484 1.869 0 40 FDAB COC(=O)Cc1csc(NC(=O)CSc2nnc3ccccn23)n1 3242155 LLTVYCBZYVPDHM-UHFFFAOYSA-N 363.424 1.632 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccccc3)[C@H]4C2=O)no1 106021943 YXXDMSFDKVXIHG-JNNRSPCRSA-N 351.362 1.908 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccnc1-n1cccn1 25011246 KEUBFNHLKWQYBZ-UHFFFAOYSA-N 361.365 1.401 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 3375906 CAVVFTHNNQJCJH-HNNXBMFYSA-N 368.389 1.761 0 40 FDAB COc1ccc(CC(=O)N2CCN(Cc3nnc(C4CC4)o3)CC2)cc1 58279425 WUQGIBDAGJJJML-UHFFFAOYSA-N 356.426 1.843 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl 27975240 DSJJZMOIDUPIAL-UHFFFAOYSA-N 370.862 1.950 0 40 FDAB COCc1cccc(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)c1 58438684 PBQNYIUDHOLTCG-UHFFFAOYSA-N 352.394 1.869 0 40 FDAB O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(=O)[nH]c1 58406614 KERHAMXXSPQOIM-UHFFFAOYSA-N 353.382 1.336 0 40 FDAB NC(=O)[C@H]1CC(C(=O)NC[C@H]2Cc3ccccc3O2)=NN1c1ccccc1 48299173 QUHWTSSGZHIFGN-NVXWUHKLSA-N 364.405 1.227 0 40 FDAB NC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3 3441104 XFKVGYNWCSFHLP-SECBINFHSA-N 365.480 1.703 0 40 FDAB CN1CCO[C@H](CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 62581741 UAAIDUICHZJXHE-IHHMQQGQSA-N 371.481 1.385 0 40 FDAB CCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccccc2F)s1 13629538 DOPUKZWRYRJWTJ-QMMMGPOBSA-N 359.404 1.877 0 40 FDAB O=C(COc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 13690389 UQNJIZZZRMYIKD-SECBINFHSA-N 353.318 1.267 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1Br 5040522 VPTOUNADAHKKEV-UHFFFAOYSA-N 365.187 1.925 0 40 FDAB C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(F)cc1 13985561 ZLCLEZMCNVLZEE-QMMMGPOBSA-N 370.178 1.316 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC=CCC1 14137854 MVTATNBMBLPOFK-INIZCTEOSA-N 364.467 1.680 0 40 FDAB CCc1cc2c(=O)n(NC(=O)CCNC(=O)c3ccccc3)cnc2s1 14244528 QPDPNNGJDWVFSM-UHFFFAOYSA-N 370.434 1.911 0 40 FDAB COc1ccc(CNC(=O)COC(=O)[C@@H](NC(C)=O)C(C)C)cc1OC 7007641 MIURCXRWFVNIMC-KRWDZBQOSA-N 366.414 1.024 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](CNC(C)=O)C2)CC1=O 67365368 DCSFTWLXWABUIR-AEFFLSMTSA-N 371.481 1.977 0 40 FDAB Cc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)nn1-c1ccc(Cl)cc1 8745448 OSANSEVNDMDKOP-UHFFFAOYSA-N 373.844 1.924 0 40 FDAB CCOC(=O)CSCC(=O)NCc1cc(OC)c(OC)cc1OC 19312841 ZQYJEPKLEJTJKS-UHFFFAOYSA-N 357.428 1.625 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)Nc1ccc2cc[nH]c2c1 71282936 KVPPCGQJNRRCLQ-UHFFFAOYSA-N 369.450 1.917 0 40 FDAB O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCc2ccccc21 19797467 RUFBPOZQFYSOCI-UHFFFAOYSA-N 356.403 1.956 0 40 FDAB COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 9809884 WHRKDEXNKLDZJG-UHFFFAOYSA-N 356.426 1.926 0 40 FDAB C[C@H](CNC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 96905162 WGRLJDYRWRDKFQ-IAGOWNOFSA-N 372.513 1.191 0 40 FDAB Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)c2cccs2)c1C 21170797 IWNNBLIMXIQJDF-UHFFFAOYSA-N 368.436 1.808 0 40 FDAB CC(C)OCCCNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9646310 ZTZQHUCTBNUVEJ-UHFFFAOYSA-N 353.444 1.047 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2ncccc2N)cc1 95448017 AWZLVKSETRHANX-UHFFFAOYSA-N 365.411 1.150 0 40 FDAB Cc1c(S(=O)(=O)N2CCc3cncnc3C2)cnn1-c1ccccn1 95402878 DYGZKGKXLZDAML-UHFFFAOYSA-N 356.411 1.113 0 40 FDAB Cn1ccc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n1 95999676 VIDCMPWSOKBHNZ-UHFFFAOYSA-N 361.427 1.029 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)OCc2nnsc2Cl)c1 22987889 CZOARNOBFLQELP-UHFFFAOYSA-N 361.832 1.847 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)CSc3ccc(F)c(F)c3)CC2)C1=O 89374630 FVXPFNKFMQWKOU-UHFFFAOYSA-N 369.393 1.600 0 40 FDAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C 27974719 RYRYIKDUKLYIHC-LBPRGKRZSA-N 353.378 1.643 0 40 FDAB COC(=O)c1ccccc1NC(=S)N1CCN(c2ncccn2)CC1 67335314 JHUSTBXNSXNENX-UHFFFAOYSA-N 357.439 1.782 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 306135736 OZHWEKCJIINZCH-INIZCTEOSA-N 367.453 1.625 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cnn(C)c3)n2)cc1OC 61719255 OPWHMZCGTFZVJD-UHFFFAOYSA-N 369.381 1.300 0 40 FDAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)N1CCNC1=O 32776305 KVVOTVLMRDMZMX-SNVBAGLBSA-N 358.423 1.764 0 40 FDAB CN(C)CCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241354 OVKFNIVIJKGACK-CVEARBPZSA-N 353.850 1.306 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 40009512 CLFSCKWVMJGWDX-QGZVFWFLSA-N 373.478 1.599 0 40 FDAB COc1cccc(OC)c1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 223026374 AWXWODSZSNXEMM-UHFFFAOYSA-N 364.379 1.617 0 40 FDAB COc1ccc(-n2cc(CNC(=O)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)nn2)cc1 572715867 CSQXRALBTRIXBO-BRSBDYLESA-N 367.409 1.371 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cn1 96060765 PTNRLGYDVAXQSF-OAHLLOKOSA-N 353.430 1.260 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@]2(CN(c3ccsc3)C(=O)CN2C)C1 96238216 IOWFUTKOGIYASJ-MRXNPFEDSA-N 371.528 1.457 0 40 FDAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C(=O)c2ocnc2C)C3)n1 96110469 ZZSADEOTWMLWOG-KDOFPFPSSA-N 358.398 1.782 0 40 FDAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn2C1)c1ccco1 247521598 XSAFYYUVLQNHMH-HNNXBMFYSA-N 358.442 1.907 0 40 FDAB O=C(c1ccnnc1)N1CC2(C[C@@H](CCOc3cnccn3)CCO2)C1 247877952 USMYLWUFVLGUKW-AWEZNQCLSA-N 355.398 1.357 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)[C@H]1O 257231069 GFBNFIJJIRQHIV-KZNAEPCWSA-N 353.426 1.915 0 40 FDAB CC(C)N1CCN(C(=O)CCn2ccnc2-c2ccccc2)C[C@H]1C(N)=O 257247786 JAMOGJFAPILQGZ-KRWDZBQOSA-N 369.469 1.347 0 40 FDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2cccc(OCCN)c2)C1 257296688 RDYKFIMOLYFOKB-PKOBYXMFSA-N 359.470 1.887 0 40 FDAB C[C@H]1COC(=O)N1c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 257209152 BPFGOOZOEIGTPY-LBPRGKRZSA-N 353.444 1.641 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)CC3CCCC3)C2)CC1 257337229 YRYNVDXLINILMQ-IBGZPJMESA-N 351.491 1.131 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 257225078 FESOAHHXMXPOOJ-OAHLLOKOSA-N 356.382 1.485 0 40 FDAB CCOc1ccc(CNC(=O)N2CCN(c3nncn3C)CC2)cc1F 654431791 ZWQHSZPDPUNCEF-UHFFFAOYSA-N 362.409 1.385 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)Nc3ccc(C(F)(F)F)nn3)C[C@H]2CO)cn1 683574581 VVDVBLAPSCOLRR-QWRGUYRKSA-N 370.335 1.469 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 1629066372 XALMDRLIRJRYPM-MRXNPFEDSA-N 371.418 1.892 0 40 FDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cccs3)cc2NC1=O 585281600 MOPMMBZVQFLOKS-LLVKDONJSA-N 366.420 1.976 0 40 FDAB Cc1cc(C)nc(N2CCC[C@@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 585101160 KDYLLWRQYJKLII-OAHLLOKOSA-N 371.363 1.887 0 40 FDAB COc1ccc(F)cc1[C@@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58230534 UBKHNYLINATAKD-ZYHUDNBSSA-N 361.460 1.932 0 40 FDAB O=C(c1cccnc1)N1C[C@H]2Cc3cnc(N4CCOCC4)nc3[C@H]2C1 12120649 FNVGJMADFIYCTH-CVEARBPZSA-N 351.410 1.120 0 40 FDAB CN1CCN(c2nccc(CN3CCN(c4ccc(F)cc4)CC3)n2)CC1 12143908 NHORMMOFFSINJI-UHFFFAOYSA-N 370.476 1.690 0 40 FDAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16576506 MJZCIIDSBJMJTG-JTQLQIEISA-N 364.851 1.120 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19500749 OWDXQNUTULMXQF-NRTGNBEESA-N 360.410 1.370 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@@H](C)CO 19696613 FCOUCMXMFKIJBT-VBKZILBWSA-N 371.437 1.762 0 40 FDAB CNC(=O)c1cc([C@@H]2CN(Cc3ccnn3C)CCO2)nc2ccccc12 19759406 DQZVLZYVEJXBLC-IBGZPJMESA-N 365.437 1.901 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccncc1 19930498 VKXSKDVFHGLQAW-UHFFFAOYSA-N 359.451 1.771 0 40 FDAB COc1ccccc1[C@H]1N=C(NC[C@H]2CCCO2)Nc2nc(C)cc(=O)n21 101983198 WXLNGXIOSRQQMU-DYVFJYSZSA-N 369.425 1.657 0 40 FDAB COCCn1nnnc1CN1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 19594178 YDEDUAJJWOVNOL-HNNXBMFYSA-N 368.445 1.484 0 40 FDAB COc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCN(C)CC2)cc1 21152580 GPIGAIJPEFQHER-LJQANCHMSA-N 356.470 1.752 0 40 FDAB Cn1c(=O)c2c(ncn2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 4829734 MSRFTPMZVLNFNH-UHFFFAOYSA-N 356.426 1.219 0 40 FDAB O=C(c1ccc2ccccc2n1)N1CCC(C(=O)N2CCOCC2)CC1 31280155 UVCQHJLJIANIKL-UHFFFAOYSA-N 353.422 1.946 0 40 FDAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCNCC2 2037916458 ZITVYPASDRBHHS-INIZCTEOSA-N 353.507 1.594 0 40 FDAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)c3cncnc3)C2)C1 2056224735 SMXBPIPCECPYBC-LJQANCHMSA-N 354.458 1.729 0 40 FDAB COc1cc(-c2nnc(NC(=O)c3ccn(C)n3)o2)cc(OC)c1OC 11695530 GOMNGGMTOGROMH-UHFFFAOYSA-N 359.342 1.748 0 40 FDAB CCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)c(C)c1 15780659 HRAZKKUULIMGEM-UHFFFAOYSA-N 370.446 1.884 0 40 FDAB COc1cccc(CN2C[C@@H](C(=O)N3CCOCC3)C[C@H]3OCC[C@H]32)c1 2055746376 VRSVGHAUTSDTRU-QXAKKESOSA-N 360.454 1.533 0 40 FDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055717925 IFLMJTVJVHEQJN-SNVBAGLBSA-N 358.364 1.796 0 40 FDAB O=C(Nc1ccc2c[nH]nc2c1)C1CN(c2cc(-n3cncn3)ncn2)C1 575609799 QBLWONQLNBDJDH-UHFFFAOYSA-N 361.369 1.009 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)C2CCCC2)c1 40120860 GLAKMFHKEPLTSC-UHFFFAOYSA-N 363.443 1.563 0 40 FDAB O=C1CN(c2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cn2)CCN1 30495948 NDCXYPGQRWXVHZ-IBGZPJMESA-N 365.437 1.450 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSc2ncn[nH]2)c1C 11357975 CPFOSBKWJSNISB-UHFFFAOYSA-N 369.472 1.403 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CCO1 11502900 BEVLQHAWFKSYCP-SNVBAGLBSA-N 358.847 1.642 0 40 FDAB CCOC(=O)C(CCCOc1ccccc1)(NC(C)=O)C(=O)OCC 4769142 VRHWEZAJHOEOQC-UHFFFAOYSA-N 351.399 1.847 0 40 FDAB CN(Cc1ccccc1)C[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21 60368137 PNSXHQUNGSGKLO-MRXNPFEDSA-N 352.438 1.557 0 40 FDAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N1C[C@@H](C)O[C@H](C)C1 32721676 LXMZSEFUVBQYMT-FOCJUVANSA-N 361.394 1.336 0 40 FDAB CC(C)(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)N1CCOCC1 32747932 ISLLRUBVUNONPO-UHFFFAOYSA-N 359.470 1.583 0 40 FDAB CCOC(=O)c1nc2[nH]c(CSc3nc(C)cc(C)n3)cc(=O)n2n1 10157033 SKFNXNGNYMXRLS-UHFFFAOYSA-N 360.399 1.293 0 40 FDAB O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1CC(=O)N(C2CC2)C1 32817409 SRMNHLFMQPJGKM-LLVKDONJSA-N 357.332 1.650 0 40 FDAB Cn1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1=O 2658257 DEVINRKUZNGSBV-UHFFFAOYSA-N 364.408 1.046 0 40 FDAB C[C@@H]1Sc2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2NC1=O 32970972 WOYVBDZBSIMIKN-VFZGTOFNSA-N 354.453 1.426 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN1C(=O)CSC1=O 100724612 REASGUQMFOIZHV-ZYHUDNBSSA-N 371.422 1.321 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(-c2ccccn2)s1 46754161 NRPPGDYNLVLEQW-UHFFFAOYSA-N 364.390 1.949 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)c1cccs1 42245114 VJPCIRSEYLNUJI-UHFFFAOYSA-N 359.450 1.579 0 40 FDAB CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)O)cn12 105107772 AVQYXRLABAIBQY-MRXNPFEDSA-N 351.410 1.916 0 40 FDAB CNC[C@H]1CC[C@H](c2cc(CN(C)S(=O)(=O)N(C)C)n(C)n2)CC1 100687678 UUCPRMIRSOJFOH-OKILXGFUSA-N 357.524 1.152 0 40 FDAB Cc1n(C)c2ccccc2[n+]1CC(O)C[n+]1c(C)n(C)c2ccccc21 27987913 BGYAXWKKHCYQCN-UHFFFAOYSA-N 350.466 1.923 0 40 FDAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3CN3CCCC3)ccc2N1 58014168 KHVQUFZEVKAZAQ-OAHLLOKOSA-N 363.483 1.820 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CCn1nnc2ccccc2c1=O 27446769 YTPRBTDPSMIMCN-UHFFFAOYSA-N 366.377 1.997 0 40 FDAB CCOC(=O)NCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 58142064 NZMASNUDRWENAN-OAHLLOKOSA-N 363.414 1.761 0 40 FDAB CCc1nnc2ccc(SCC(=O)Nc3ccc(C(N)=O)cc3)nn12 44894109 FEGYGAFWZVCFSR-UHFFFAOYSA-N 356.411 1.516 0 40 FDAB O=C(CNC(=O)COc1ccccc1)NCCCn1cnc2ccccc21 12549062 SPIAHQVRMHBWHU-UHFFFAOYSA-N 366.421 1.738 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1ccccc1 10901159 DDERHYYVIANQAR-UHFFFAOYSA-N 367.449 1.912 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1-c1nnc2c3ccccc3c(C)nn12 2453226 REAMNSLVMIPBBE-UHFFFAOYSA-N 369.406 1.909 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)CN2CCc3ccccc32)CC1 48322857 HIMBZWAQIMUJHS-UHFFFAOYSA-N 365.499 1.370 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCOc2ccc(C)cc2)NC(=O)NC1 12848220 KOFOSSDLXUKNQB-UHFFFAOYSA-N 362.382 1.437 0 40 FDAB NC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 3448271 FNNSQFAJUWGRJI-UHFFFAOYSA-N 362.032 1.520 0 40 FDAB COc1ccc2c(CC(=O)OCC(=O)NC(=O)c3cccn3C)coc2c1 3421612 UZNOHFYEWITUET-UHFFFAOYSA-N 370.361 1.822 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC 13076314 CHHNLPHHWRBZNA-UHFFFAOYSA-N 351.380 1.881 0 40 FDAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCC(C)C)ccc1F 13371772 RKPQREYRRWFRCF-GJZGRUSLSA-N 363.476 1.319 0 40 FDAB Cc1ccccc1CCNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 9117853 ZTFKCJSCSYMVSJ-UHFFFAOYSA-N 373.478 1.364 0 40 FDAB Cc1ccccc1-c1nnn(CC(=O)NCC(=O)Nc2ccc(F)cc2)n1 5326938 UUEAVQWZKLSWHQ-UHFFFAOYSA-N 368.372 1.543 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)ccc1O 14201784 WOXRMRSPLNVXJO-QMMMGPOBSA-N 373.203 1.934 0 40 FDAB CC1=NNc2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2[C@H]1C 8725402 DNXAGFZMVNDEJR-RSPDNQDQSA-N 364.409 1.973 0 40 FDAB O=C(C[C@@H]1COC(=O)C(=O)N1Cc1ccccc1)NCc1ccccc1 6645920 HOYPDCLOIQOHAX-QGZVFWFLSA-N 352.390 1.647 0 40 FDAB O=C(c1cccs1)N1CCN(Cn2nnc(-c3cccs3)n2)CC1 23846731 PLZOSHYIHCJHDV-UHFFFAOYSA-N 360.468 1.879 0 40 FDAB Cc1ccc(CNC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)cc1 67320586 YPBNYCRQZQATGP-UHFFFAOYSA-N 363.417 1.932 0 40 FDAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2cccs2)C1 16044178 UOKYCZMFRCDHKU-RYUDHWBXSA-N 365.498 1.105 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(C)(C)C 7788066 QAGPWJHSPAXAEZ-UHFFFAOYSA-N 369.487 1.343 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3cnccc3c2=O)c1 96003389 AFTKRVBTMTWDEV-UHFFFAOYSA-N 352.350 1.525 0 40 FDAB CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797199 AATWWDFQVIUEPA-STQMWFEESA-N 351.877 1.279 0 40 FDAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@]12C(=O)Nc1ccccc12 9303527 MPBZSFYPNXJUPJ-SFHVURJKSA-N 353.334 1.928 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccco1 9419166 ZUJWEMFILRVLGG-INIZCTEOSA-N 355.394 1.839 0 40 FDAB COCCn1cnc2ccc(NC(=O)CCCn3cccn3)cc2c1=O 95479677 KIGPVKYCCVQYCV-UHFFFAOYSA-N 355.398 1.658 0 40 FDAB COC(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 409371314 VXBUPRLJBWSVSO-UHFFFAOYSA-N 363.395 1.267 0 40 FDAB O=C(CN1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1)N1CCCC1 306131040 JVFVDIPXSSQZLS-INIZCTEOSA-N 369.473 1.230 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccnc1N1CCOCC1 32017456 ARSBEUDKITYUGO-GQCTYLIASA-N 367.405 1.977 0 40 FDAB COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 32124214 RYILKPIHZZTPSH-KRWDZBQOSA-N 358.398 1.639 0 40 FDAB biogenic O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccnc1 70640181 RJUJYDUTXRMTHR-CYBMUJFWSA-N 353.300 1.889 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2nccn3ccnc23)[C@@H]1c1cncn1C 583621166 JIGSIIBIMDPWRN-XJKSGUPXSA-N 353.430 1.276 0 40 FDAB CC(=O)Nc1cc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)ccc1C 579346422 VFRMWXSQAORYMT-GOSISDBHSA-N 372.469 1.378 0 40 FDAB Cc1nc([C@H]2CN(C(=O)N[C@H]3CCN(c4ccccn4)C3)CCO2)no1 332894765 TZXPDNXZKLJMES-UONOGXRCSA-N 358.402 1.135 0 40 FDAB COc1ccc(Cc2n[nH]c(NC(=O)CCNc3ncccn3)n2)cc1 95474432 HELUNEISRLKHGP-UHFFFAOYSA-N 353.386 1.635 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4cnn(C)c4)CCO3)C2)no1 96205908 CSDICZFMTKQFPV-CRAIPNDOSA-N 359.430 1.270 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@@]314 96316342 GKBIDJHSEALBDH-PHVXBLLWSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2CC(=O)N(C)C)n1 257204503 AUXUJWQMWGZHRC-HNNXBMFYSA-N 355.446 1.934 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CC[C@@]2(NC(C)=O)CNC[C@H]2C1 257329354 XJOBKDWQYPHXTF-YVEFUNNKSA-N 351.834 1.289 0 40 FDAB COc1ccccc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)ncn2)C1 257248588 JEIBWEXPYQCOCN-IBGZPJMESA-N 356.426 1.555 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)ncn1 257213485 CHTJBLCOQGMIQQ-CYBMUJFWSA-N 356.430 1.007 0 40 FDAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)nc1 257272891 NEGHGTWXEYABSA-SFHVURJKSA-N 354.458 1.911 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCC2CCCCC2)Oc2ccccc21 260844232 ICVCTMLWJNPGOB-MRXNPFEDSA-N 352.456 1.910 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C[C@@H](O)c3cccs3)CC2)no1 85436944 YKFXGIHEOGXHMN-CYBMUJFWSA-N 350.444 1.334 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cn1C 269334129 CYCWHNWPUHYXNQ-HYVNUMGLSA-N 359.451 1.391 0 40 FDAB CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C(=O)C2CCCC2)C1 1775997140 WVOLFHQWINMKML-SJORKVTESA-N 351.491 1.787 0 40 FDAB C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](c2ccccc2)CO1 608256702 DTMPJLGYWMUCBI-RDTXWAMCSA-N 364.405 1.780 0 40 FDAB Cc1csc(SCC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 90608125 WFCFSFPQANLRKW-UHFFFAOYSA-N 367.496 1.931 0 40 FDAB NC(=O)C[C@]1(O)CCCN(c2noc3ccc(Br)cc23)C1 643713523 WKCHOUMOTNHMPZ-CQSZACIVSA-N 354.204 1.797 0 40 FDAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1 643431042 UAVCCWOGXJWEAK-SNVBAGLBSA-N 351.302 1.029 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575420924 FRQULIVXVLIEHB-JKSUJKDBSA-N 373.496 1.171 0 40 FDAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1cccnc1 585097781 PQWVVTGGCMNGQG-ZDUSSCGKSA-N 350.382 1.864 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cncs1)O[C@@H](C)C(=O)N2 585272841 OWLPXDIDZMETET-QMMMGPOBSA-N 367.408 1.290 0 40 FDAB COCCn1ccc(C(=O)N2CCc3[nH]nc(-c4cccnc4)c3CC2)n1 585110355 JUAPAXAHNAJWJC-UHFFFAOYSA-N 366.425 1.556 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NC[C@H]1Cc2ccccc2O1 63242070 SGKYXHCPRQTPDZ-CQSZACIVSA-N 360.435 1.684 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 104805729 GSBIBKMEBNFHPD-NWDGAFQWSA-N 354.428 1.280 0 40 FDAB O=C(CCCn1c(O)nnc1O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1626691116 IBOHGCYLAXZQMU-CYBMUJFWSA-N 368.340 1.348 0 40 FDAB CN(C)C(=O)COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 5674520 DLKLLJWBQKDKJR-PTNGSMBKSA-N 367.365 1.563 0 40 FDAB CCOC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 12086506 YYXWBJSAYLBZNX-DJJJIMSYSA-N 359.426 1.811 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 14607174 PEEQENIUBWLOPK-ZDUSSCGKSA-N 371.397 1.118 0 40 FDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16637292 PBJJYMIOWLCBQP-LBPRGKRZSA-N 358.460 1.629 0 40 FDAB CO[C@H]1CCN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1 637405352 VQUSAALLYZJCPL-JKSUJKDBSA-N 353.850 1.976 0 40 FDAB O=S(=O)(c1cnc[nH]1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888869486 DBWMHIXPOLPRPX-XHDPSFHLSA-N 367.406 1.209 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888899168 PUGOLKXQANAUBV-HUUCEWRRSA-N 372.450 1.168 0 40 FDAB O=C(NC[C@@H]1OC[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]21)c1ccncc1 1565549896 IHPAXAXSEOCVAX-JYJNAYRXSA-N 361.417 1.567 0 40 FDAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3csnn3)C2)O1 1565548556 FHVZYJASVCVPQW-BBRMVZONSA-N 354.476 1.269 0 40 FDAB O=C(CSc1ncnc2[nH]cnc12)NCc1ccc2c(c1)OCC(=O)N2 4632208 XWZHMJAQLQRWLG-UHFFFAOYSA-N 370.394 1.092 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2[C@H]1C 8710217 RMVHGSAOVWCXEP-JTQLQIEISA-N 372.816 1.961 0 40 FDAB CC(C)Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10968294 GMHBUMDCBIUNPF-UHFFFAOYSA-N 370.388 1.544 0 40 FDAB O=C(CN1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1)N1CCCC1 2055715933 MTMLFYAZNLRLQB-LLGFUMIMSA-N 366.465 1.266 0 40 FDAB Cc1ccsc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729956 ICRICUXRETWQKJ-NSHDSACASA-N 355.485 1.741 0 40 FDAB COc1cc(C(=O)N2CC[C@@H](C(=O)N(C)C)c3nc(C)sc3C2)on1 2055729952 IAWFNHYHZROQRP-SNVBAGLBSA-N 364.427 1.666 0 40 FDAB Cn1cc(CN2CCC(C(=O)NCC(F)(F)F)(n3cccn3)CC2)cn1 2055782107 NIBJDYJVGJSOOK-UHFFFAOYSA-N 370.379 1.286 0 40 FDAB O=C(NC1CCCC1)[C@H]1CCc2c(C(=O)N3CCC(O)CC3)ncn2C1 2055714456 AFRMXOFCLCDRCR-ZDUSSCGKSA-N 360.458 1.101 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCC2)NCc1ccccc1 10256576 OIZZFOKYKXQPSN-UHFFFAOYSA-N 359.451 1.133 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 100065487 GQNPTTYTFSDIEG-ZQVYQMQSSA-N 354.406 1.317 0 40 FDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccnc2N2CCOCC2)n1 40121605 QFXVHGPQAAYZBR-CQSZACIVSA-N 357.458 1.798 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)c2ccccc2)o1 40320521 UIRXUFJFAUUTHM-LLVKDONJSA-N 369.420 1.029 0 40 FDAB COc1ccc(CNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 31663596 JVQAJWOVVYWYNI-LJQANCHMSA-N 369.465 1.914 0 40 FDAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 2719010 YZDCOQVPWHNJJI-UHFFFAOYSA-N 361.379 1.334 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1-n1cnnn1 20733823 PJHGONSCPFUNLK-HNNXBMFYSA-N 369.356 1.316 0 40 FDAB Cc1nc(S[C@H](C)c2nc(N)nc(N(C)C)n2)sc1CC(N)=O 32765473 HKVQVEAITWFVGY-SSDOTTSWSA-N 353.477 1.166 0 40 FDAB CC(C)(O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298622 DNBHZPYBPOVLHC-FMKPAKJESA-N 373.457 1.125 0 40 FDAB biogenic,in-vitro O=C(NCc1nnc2ccccn12)[C@H]1CC(=O)N(c2ccccc2F)C1 23644771 WCVZBXYCLDIPJE-LBPRGKRZSA-N 353.357 1.538 0 40 FDAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1 89895870 HQCLBCJPQPSSDE-ZDUSSCGKSA-N 368.393 1.474 0 40 FDAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 8216332 OQLFOPKQIKWIAO-MNOVXSKESA-N 358.427 1.942 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1C[C@H]2CC[C@H]1C2 104090035 PBAZQOAIYVZRJJ-ZJQBRPOHSA-N 356.426 1.187 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCc2cc(OC)ccc2OC)CC1 2943622 WFCLGMYTHYOMDZ-UHFFFAOYSA-N 370.471 1.382 0 40 FDAB Cc1sc2nc(CN3CCOCC3)nc(NS(C)(=O)=O)c2c1C 23408801 SNFYBVNZMLMNCW-UHFFFAOYSA-N 356.473 1.512 0 40 FDAB COCCOCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2F)C1 47631633 PUCHEXBGERPPDE-AWEZNQCLSA-N 352.406 1.656 0 40 FDAB Cn1c(O)c(Cc2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O 1272972 IEHCDIOCMFVENT-UHFFFAOYSA-N 352.390 1.959 0 40 FDAB CCOC(=O)COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC 1436330 GLKNVPGFDMIQEM-MRXNPFEDSA-N 362.382 1.820 0 40 FDAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)CN1CCCC1 47905477 OJZBDRKRGPZPTM-AWEZNQCLSA-N 365.499 1.589 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35877106 YRSZYPUSIVCZEE-IFUHQBGYSA-N 355.438 1.862 0 40 FDAB CCN(CC)C(=O)CNS(=O)(=O)c1cc(Br)ccc1F 58197269 SFAXDELYTQJHNK-UHFFFAOYSA-N 367.240 1.735 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)CC[C@@H]3CCCO3)ccc2c1=O 58184712 IDKPPSKNJLOKOF-JSGCOSHPSA-N 359.426 1.787 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NC[C@@H]1CCCCN1Cc1ccccc1 58251120 JTZITYLEWFZBBR-KRWDZBQOSA-N 357.454 1.696 0 40 FDAB Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58365675 ROWPCCRTOMIGRG-CQSZACIVSA-N 367.471 1.305 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)CC1 408609446 SZFHGVNIVDKWPN-UHFFFAOYSA-N 365.499 1.557 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)nc2n(c1=O)CCS2 12658475 DDLKCLMBKDNNBU-LLVKDONJSA-N 362.363 1.332 0 40 FDAB biogenic CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCCNC(C)=O)c1 12791740 ULJGSYAUODOGCU-UHFFFAOYSA-N 360.407 1.149 0 40 FDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCO[C@H](C)C1 48365051 LJCZYOCBBLYPBL-BDAKNGLRSA-N 361.261 1.876 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 3448424 USGWWSNJDSVUQN-UHFFFAOYSA-N 362.407 1.596 0 40 FDAB O=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1 4057966 QSATUMDJJZECMX-UHFFFAOYSA-N 363.395 1.575 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12C[C@](CO)(CC(=O)O)CO2 4085598 NOXPDYBFDJSFHH-QQOBTVJVSA-N 370.486 1.805 0 40 FDAB biogenic O=C(COc1cccc(Cl)c1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 39559528 CNUZTKXCCWQEAE-UHFFFAOYSA-N 374.784 1.643 0 40 FDAB CCc1c(C(=O)OC)c2cc(NS(C)(=O)=O)ccc2n1S(C)(=O)=O 4411745 WPOSXHQUFFLHQE-UHFFFAOYSA-N 374.440 1.170 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NCCc1ccccc1 65521427 NOKUVGSXOJJENZ-IFXJQAMLSA-N 354.406 1.690 0 40 FDAB C[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1c(=O)oc2ccccc21 14519510 IUJDKEUUDILEIB-NSHDSACASA-N 364.365 1.985 0 40 FDAB CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCOC[C@@H]32)C(=O)O1 4915477 IPGDWHVXFLWFRB-CYBMUJFWSA-N 351.786 1.924 0 40 FDAB CCCCn1c(N)c(N(CCC)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O 7723757 GIMXSIKQSFKWFH-UHFFFAOYSA-N 374.441 1.984 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(N)s1 8066666 ZRHCIIYKGTUAIC-UHFFFAOYSA-N 352.441 1.990 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cn3ccccc3n1)C2=O 9318233 RHNGZYLCNURRMH-YJYMSZOUSA-N 369.425 1.451 0 40 FDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 71972329 GVCVNFMINCMWFH-ZDUSSCGKSA-N 362.517 1.489 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccn2c(=O)[nH]nc12 95456910 XBTUXSXFZYXYAX-CYBMUJFWSA-N 371.784 1.211 0 40 FDAB O=C(CO)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 89548227 KPEBMQZXKBQPAW-OLZOCXBDSA-N 356.344 1.472 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)c1C 36610991 IPWQDZFAQSTVOJ-IRXDYDNUSA-N 360.458 1.523 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccc(Cl)cc1 72242894 MFPMWECZECEBTM-JTQLQIEISA-N 357.844 1.775 0 40 FDAB CC(=O)NC[C@H]1CCn2ncc(C(=O)NCc3ccc4c(c3)CCO4)c2C1 558945660 GBGYCNLWHVAAAR-HNNXBMFYSA-N 368.437 1.447 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)c1occ2ccccc12 72341034 SKLXYZXWHSIPRP-UHFFFAOYSA-N 355.379 1.667 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)c(F)c1 45896192 SUBIRDXRSIJCNU-ZDUSSCGKSA-N 351.313 1.430 0 40 FDAB COc1ccc(N2Cc3nc(=O)n(Cc4c(C)noc4C)n3C2=O)cc1 40266464 IBWIYDUTGIIHRB-UHFFFAOYSA-N 355.354 1.695 0 40 FDAB CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1C 225932910 CVSDFXVMKVXEAD-HNNXBMFYSA-N 354.472 1.609 0 40 FDAB CS(=O)(=O)CC(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 96106510 JRHKBMWRLKSCDM-OAHLLOKOSA-N 359.488 1.103 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 583623766 GWTPUJGAZJNRCL-MUKKUYKPSA-N 374.437 1.865 0 40 FDAB COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C)cc(=O)c1O 95480932 NVALXCMMCJXCOQ-LBPRGKRZSA-N 372.377 1.539 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1 96043083 FNPGEPROSXRKTQ-CWRNSKLLSA-N 358.467 1.834 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)CN(C[C@@H]1CCOC1)c1ccccc12 96241307 WUNDBROSXRSLHK-HNNXBMFYSA-N 350.484 1.836 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccoc3)O2)cn1 96040900 QRJPGQRCTXRHBA-KURKYZTESA-N 356.426 1.816 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96047107 MVNVRBGBDUKOJF-IBGZPJMESA-N 358.442 1.358 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 248156458 VWQDJAMVUXGTEP-IIAWOOMASA-N 360.483 1.667 0 40 FDAB COc1ncccc1CN1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 247941395 ACMKJBVCBSELJI-AWEZNQCLSA-N 351.472 1.255 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 245237721 SSJDKASTWLOSMA-IOASZLSFSA-N 365.499 1.780 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2(C)C)ccc1C 585080380 DCDNIHRRZJLLRE-CQSZACIVSA-N 353.444 1.289 0 40 FDAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 252516238 QQORDIVNAUQYLG-MGPQQGTHSA-N 362.289 1.941 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cscn1)C2 257293896 QRQLZEXXLHESRN-SUMDDJOVSA-N 370.478 1.825 0 40 FDAB C[C@@](O)(CCc1ccccc1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 368484358 SGRCVENFHMIBST-YLJYHZDGSA-N 360.454 1.266 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 374288517 PXLWGOOJODXKRT-ZBFHGGJFSA-N 372.425 1.568 0 40 FDAB O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)c2ncsc2C(F)(F)F)N1 684287475 XGFKWIXABATQSP-PWCHPLFNSA-N 362.333 1.270 0 40 FDAB CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Nc2cncc(C)c2)cn1 1775958866 MNEPRPIJGXHMOU-OAHLLOKOSA-N 363.443 1.610 0 40 FDAB CC(=O)N1CC(OCC(=O)Nc2cccnc2C(=O)c2ccc(F)cc2)C1 622941492 UIANKEOLCCOWFE-UHFFFAOYSA-N 371.368 1.638 0 40 FDAB CCOc1ncc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1Cl 640870585 AZEFKHGAVHVYMO-CFVMTHIKSA-N 353.850 1.851 0 40 FDAB CN1CCC(N2CC[C@H](N(C)C(=O)[C@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)CC1 663135180 MQIRLNPSBYGHIG-PYWIUJKZSA-N 363.502 1.504 0 40 FDAB COc1c(O)nc(O)nc1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 667962804 BLCWYGNEUKBPGF-ZDUSSCGKSA-N 372.425 1.633 0 40 FDAB Cc1cc(C(=O)N[C@H]2CCN(CC(F)F)C2)ccc1N1CCNC1=O 668081741 YEAWBTJKJWADJQ-ZDUSSCGKSA-N 352.385 1.594 0 40 FDAB O=C(NCC[C@@H]1CN(C(=O)c2ccco2)Cc2ccnn21)N1CCCC1 585112157 JRLCZEQFFJSZQE-CQSZACIVSA-N 357.414 1.869 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)cn1 585096745 BZCHPKAZNTWNTE-MRXNPFEDSA-N 353.426 1.624 0 40 FDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2=O)cc1 48354762 IPFDRMFUQLMISM-QGZVFWFLSA-N 351.406 1.640 0 40 FDAB Cn1cccc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549161927 QSCGVJUSFQVMJO-KRWDZBQOSA-N 372.469 1.433 0 40 FDAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O 13667497 AFGIXFAUZUYTIZ-LBPRGKRZSA-N 361.895 1.481 0 40 FDAB Cn1cc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)on2)cn1 19290773 VVJROLLPPYFHFC-UHFFFAOYSA-N 371.372 1.733 0 40 FDAB Cn1nc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)ccc1=O 42379912 VTLSPGHDUIMPLP-NSHDSACASA-N 371.422 1.912 0 40 FDAB Cc1nn2c(=O)/c(=C\c3ccc(-c4ccc(F)cc4)o3)sc2nc1=O 35240517 ZEFZXAGTKGHCOA-RIYZIHGNSA-N 355.350 1.766 0 40 FDAB Cc1nn(CCNC(=O)CN2C(=O)CCC2=O)c(C)c1-c1ccccc1 238872627 NGVKYRCBBJDRTK-UHFFFAOYSA-N 354.410 1.432 0 40 FDAB Cc1nc2ccccc2c(=O)n1C[C@H](O)CN1C(=O)c2ccccc2C1=O 31560840 IKSLOUPDLXJNPO-ZDUSSCGKSA-N 363.373 1.362 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4ncn(C)n4)C[C@H]32)CC1 1565551162 AVBZPCGGUQNCPG-HIFRSBDPSA-N 367.457 1.253 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@H]21 1565546048 ROAGIXZYTIHCHM-HZPDHXFCSA-N 366.893 1.602 0 40 FDAB CN(C(=O)c1ccccn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523112 GHQLRNLDYMFQMJ-UHFFFAOYSA-N 363.425 1.748 0 40 FDAB COc1ccc(C(=O)N2CCN(C)C[C@]3(CCCC(=O)N3)C2)c(OC)c1 2055806692 YZYLXFUCTQVGLA-LJQANCHMSA-N 361.442 1.130 0 40 FDAB O=C(c1ccc2ccccc2n1)N1CCN(c2ccc3nncn3n2)CC1 36704268 ADVZUJKDBDRKHT-UHFFFAOYSA-N 359.393 1.635 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CCC[C@H](Oc3cccnn3)C2)c1C 225458969 NCNOGZANTFVKSH-AWEZNQCLSA-N 365.459 1.542 0 40 FDAB O=C(c1cccc2c1OCCO2)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585602883 CKGRSBHRNGIFEC-UHFFFAOYSA-N 367.405 1.664 0 40 FDAB C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cccs1 75155902 NATZAADEJUQSBS-INIZCTEOSA-N 353.465 1.936 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1 11454845 DULVOWJGHANXIA-AWEZNQCLSA-N 354.472 1.886 0 40 FDAB NC(=O)c1cc(Cl)ccc1NCC(=O)NCc1ccc2c(c1)OCO2 60089648 BAADSTWGMZTLQI-UHFFFAOYSA-N 361.785 1.896 0 40 FDAB CCOC(=O)c1c(N)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O 1635170 HMZCJRRYHURFCF-UHFFFAOYSA-N 351.362 1.747 0 40 FDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6204840 NUXYCWXCGBELMA-NWDGAFQWSA-N 358.460 1.675 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 6307135 MQYZFIADIVZHME-AWEZNQCLSA-N 372.487 1.781 0 40 FDAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 6879617 UTOKBNJNQZJLLJ-JYRVWZFOSA-N 350.396 1.963 0 40 FDAB O=C1CCCC(=O)C1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 100820034 GTLVHKWVDSYRET-UHFFFAOYSA-N 363.435 1.595 0 40 FDAB O=C(/C=C/C(=O)Nc1ccc(F)cc1)NCCN1C(=O)CSC1=O 2656204 BTGHYQVDMGJKEA-AATRIKPKSA-N 351.359 1.132 0 40 FDAB CC(C)n1nccc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 32819976 VPMPATYMFIJIOS-UHFFFAOYSA-N 354.414 1.771 0 40 FDAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)NC3CCCCC3)CO[C@H]12 8644069 OLUXAJUHCBTNKB-REWJHTLYSA-N 357.476 1.064 0 40 FDAB biogenic,in-vitro COCCN(CCOC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 47654117 IEMBCAATOUPFFD-MRXNPFEDSA-N 372.412 1.841 0 40 FDAB COc1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc3O2)c(OC)c1 27298860 OHQMXMGTTSYFIL-MRXNPFEDSA-N 358.350 1.556 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccnn2C(C)C)cc1 22289901 PWYNMDAMAOILGN-UHFFFAOYSA-N 350.444 1.943 0 40 FDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 57217113 MFFGLPAQVRVTHT-UHFFFAOYSA-N 357.410 1.890 0 40 FDAB CCCCn1nnnc1COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 26431358 ZLTDCGKXJTVGHS-NSHDSACASA-N 357.370 1.201 0 40 FDAB CC(C)C[C@H]1NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O 12601851 WFDCKCJCQVBBTE-CYBMUJFWSA-N 354.451 1.463 0 40 FDAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 44621208 VXNQXRZVMUXHGT-GXFFZTMASA-N 362.398 1.889 0 40 FDAB CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3320874 ISUQSTHPGPVQRE-UHFFFAOYSA-N 354.428 1.154 0 40 FDAB CC(C)Oc1nnc(S[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 58203534 XOBHCBONDWKNEI-VHSXEESVSA-N 358.489 1.530 0 40 FDAB COCCNC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58201885 NWZDHRAUPJGRTE-UHFFFAOYSA-N 356.176 1.028 0 40 FDAB CCOCCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 58306900 ZILUFFPAXXPGJE-LBPRGKRZSA-N 374.459 1.326 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)cc1 48236110 WSNKAJGOIKQQQB-UHFFFAOYSA-N 358.423 1.814 0 40 FDAB O=C(c1n[nH]c(O)n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 48354326 DOVZLGRUVWJSTD-UHFFFAOYSA-N 355.320 1.487 0 40 FDAB O=C(O)/C=C/c1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1 12898552 ZHUYNKZHPHBVJY-RMKNXTFCSA-N 372.406 1.348 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(Cl)cn1 3484500 DOJGOVQNHRYVCN-UHFFFAOYSA-N 365.748 1.786 0 40 FDAB C[C@H](CN1CCCCC1)NC(=O)Cn1cc(Br)ccc1=O 27768577 SKSWYGIHPKCTTG-GFCCVEGCSA-N 356.264 1.601 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)CNC(=O)NCc2ccccc2)c1C 18044762 QGHWWCYRINLHMX-UHFFFAOYSA-N 368.437 1.858 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5054345 ZMHYMJMHRUKFOU-SFHVURJKSA-N 372.381 1.920 0 40 FDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2c(cnn2C)c1=O 39539235 QUVONLGWHABWNQ-LBPRGKRZSA-N 357.389 1.879 0 40 FDAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 4348176 RSKWVBYDNPVSTB-QMMMGPOBSA-N 357.288 1.842 0 40 FDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccccc1 5232635 AVPWHIPYUWBZOW-SDADXPQNSA-N 370.405 1.897 0 40 FDAB NC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 13987252 PMCIYDWENIFQBM-YDHLFZDLSA-N 362.455 1.450 0 40 FDAB biogenic CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)s1 8771556 HVDDWOGJLGKGMY-UHFFFAOYSA-N 369.472 1.476 0 40 FDAB COc1cccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)c1 4413063 OPWUJYOUWSGLGW-UHFFFAOYSA-N 351.362 1.957 0 40 FDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(COC1=O)N2 4496016 ZANIACAJVOAWSE-ZDUSSCGKSA-N 353.378 1.561 0 40 FDAB COc1cccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)N(C)C)c1 14072534 GUDSXELLCWHLIH-QGZVFWFLSA-N 366.421 1.964 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(S(C)(=O)=O)c1 14023598 YWEWYQWKGVWKEE-QGZVFWFLSA-N 373.430 1.830 0 40 FDAB Cc1ccc(-n2nnn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)c(C)c1 14163685 NFLCFGVMUFEUOF-ZDUSSCGKSA-N 367.500 1.492 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)n2)n1 170612063 GEQSWXYVEMWUJG-XHSDSOJGSA-N 353.426 1.374 0 40 FDAB CC1CCN(C(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 4988289 DABQLABWJMLUGS-UHFFFAOYSA-N 358.508 1.187 0 40 FDAB CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1 90038552 GVUMPPZSIDMAOK-GOSISDBHSA-N 355.486 1.879 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](C(N)=O)C1 8171879 NOWMUPSPVBMERB-CYBMUJFWSA-N 368.275 1.605 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C1=O 9451029 VWPRAWQICBUMEC-ZKANADHPSA-N 362.411 1.485 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 306130928 JSULYVOMSGLIJR-GOEBONIOSA-N 365.451 1.042 0 40 FDAB O=C(c1ccccc1)N1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306141017 VJDFVUWYLOKZGX-HZPDHXFCSA-N 366.421 1.075 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)COC)ccc1OC 36684149 AOUFDWROUCIRTL-LBPRGKRZSA-N 358.460 1.490 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC3(CCOCC3)CO2)c1 1521807441 NGGJHVZJZJDWMW-CQSZACIVSA-N 360.410 1.832 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 72339016 IGNOGTUSSJKHTN-BCQGHKMKSA-N 370.449 1.925 0 40 FDAB COc1ccc(CNC(=O)c2ccc(-n3nnnc3C)cc2)cc1OC 71283585 JUQQINVAYXRTKV-UHFFFAOYSA-N 353.382 1.918 0 40 FDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217502662 VPYIJJLIHINXOC-DGCLKSJQSA-N 372.443 1.289 0 40 FDAB Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 72354531 FOGQHEVHIIYYNZ-HXUWFJFHSA-N 374.460 1.469 0 40 FDAB O=C(Cn1ccc(O)nc1=O)N1CCC(c2nc3c(s2)CCCC3)CC1 567716408 YIEBPHJGFIOJSP-UHFFFAOYSA-N 374.466 1.690 0 40 FDAB O=C(O)c1[nH]c(=O)n(-c2ccccc2Cl)c(=O)c1CN1CCCCC1 222664124 YYDOWWZREVJFEQ-UHFFFAOYSA-N 363.801 1.863 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(C)c1 222605303 NDNBMTQEPUPPIQ-AWEZNQCLSA-N 368.455 1.782 0 40 FDAB O=C(Cc1ccccn1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96183422 NJEYHSIKXQZNAD-RBUKOAKNSA-N 352.438 1.521 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(CC3CCOCC3)C[C@H]2O1)NCc1cccnc1 96208118 UQKLAASUPMWARD-GBESFXJTSA-N 359.470 1.604 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21 96043358 MLROSNFXGCHFDL-HZSPNIEDSA-N 359.455 1.799 0 40 FDAB Cc1cc(C)nc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257329951 XMDPUUCAJGPLAG-QGZVFWFLSA-N 355.442 1.520 0 40 FDAB CCCn1nccc1-c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 257240959 HVWUETPKAAMTCJ-UHFFFAOYSA-N 363.487 1.964 0 40 FDAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257306638 SVCOYUQWVJAILH-HNNXBMFYSA-N 364.475 1.519 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2[nH]c3c(OC)cccc3c2C)CCN1C(C)C 257244757 IMQFRAJRHFYDQF-OAHLLOKOSA-N 372.469 1.766 0 40 FDAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)[C@H]2CCS(=O)(=O)N2)cc1 652057161 VXDVNMXEODVEMU-KGLIPLIRSA-N 368.455 1.308 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2ccoc2)cc1 90613045 YBMWCRLUANCUAM-HNNXBMFYSA-N 352.412 1.383 0 40 FDAB CO[C@@H]1C[C@H](CN[C@@H](C)c2cccc(CO)c2)N(c2cc(N)ncn2)C1 1775957581 CBNMUBUXPPDFBK-IAOVAPTHSA-N 357.458 1.496 0 40 FDAB COc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCCCC1 298771272 RDQRBJVNCQMISM-UHFFFAOYSA-N 370.471 1.372 0 40 FDAB C[C@H](c1nc([C@@H]2CCS(=O)(=O)C2)no1)n1ccc(C(F)(F)F)n1 632033284 NNNBZGDQUXIZFL-HTQZYQBOSA-N 350.322 1.796 0 40 FDAB CS(=O)(=O)N1CCC(N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)CC1 585281474 YBXGTDFYVBKOSL-AEFFLSMTSA-N 352.500 1.336 0 40 FDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1ccsc1)C2 585102706 BDBNDXIYPGEYIV-CQSZACIVSA-N 365.480 1.606 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@H]21 585109490 UGRPXFZJGZYQBL-YCPHGPKFSA-N 364.467 1.520 0 40 FDAB CN1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@H](C(=O)N(C)C)C1 585285378 YAGCZEYXKQIBGU-HLIPFELVSA-N 353.551 1.906 0 40 FDAB Cn1cc(C(=O)Nc2ccc3nc(C4CCNCC4)[nH]c3c2)ccc1=O 1579952983 BTSFPUDTUHMJDF-UHFFFAOYSA-N 351.410 1.981 0 40 FDAB CCOC(=O)C1=C(Cn2cc(C(F)(F)F)ccc2=O)NC(=O)N[C@H]1C 5231417 IGWWIBSWAVIKQA-QMMMGPOBSA-N 359.304 1.386 0 40 FDAB O=C(NCc1nnc2n1CCN(Cc1ccsc1)CC2)c1ccncc1 12021736 XVENUZUTERXTLD-UHFFFAOYSA-N 368.466 1.723 0 40 FDAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@H]2[C@@H]1O 12378563 ZWTDRTNLJKBYAO-RBZJEDDUSA-N 371.817 1.461 0 40 FDAB COc1cc2[nH]c(O)c(C(=O)NCc3ccncc3)c(=O)c2cc1OC 18205884 WMJGTZQTPKGMQN-UHFFFAOYSA-N 355.350 1.576 0 40 FDAB biogenic C[C@H](Cc1ccccn1)NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 19457052 ZZIXEGQGZKDKKN-RCDCFZSISA-N 357.454 1.940 0 40 FDAB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1 8113982 HRMKRVQBKYXGHY-TWGQIWQCSA-N 356.294 1.965 0 40 FDAB O=C1[C@@H]2CN(Cc3nnc(C(F)(F)F)o3)C[C@H]2C(=O)N1c1ccccc1 1888853013 PXQNUBNPZBXAJH-GHMZBOCLSA-N 366.299 1.710 0 40 FDAB O=c1[nH]nc(SC[C@H]2CSc3nnc(-c4ccncc4)n32)n1C1CC1 26112473 GLOKBIAVFIYNLX-LLVKDONJSA-N 373.467 1.999 0 40 FDAB C[C@@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)NC1CCCC1 26125423 KQQWXEKCICTJAM-CYBMUJFWSA-N 357.410 1.777 0 40 FDAB O=C1COc2ccccc2CCCCO[C@@H]2CN(C3CCOCC3)C[C@@H]2N1 2037985469 KZUMJRGZLXCGID-AZUAARDMSA-N 374.481 1.766 0 40 FDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)CC(=O)N4)CC[C@@H]2C1 1565547839 OIMMXSAFSIVRRA-CRAIPNDOSA-N 357.454 1.753 0 40 FDAB O=S(=O)(N1CCCC1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565520887 YHIKFMBYKHQLRM-UHFFFAOYSA-N 366.487 1.785 0 40 FDAB CCNC(=O)c1cc2c(CNC(=O)c3ncnc(C)c3C)nn(C)c2s1 1565554380 PRKNGPXADNKANQ-UHFFFAOYSA-N 372.454 1.721 0 40 FDAB CN(C(=O)c1ccc2ncsc2c1)C1CN(c2ccc3nncn3n2)C1 1565522908 BJHWNEWJCUJKIM-UHFFFAOYSA-N 365.422 1.695 0 40 FDAB CCOc1ccc(N2C[C@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)cc1 5191722 TWBOZVIJSIQCNG-OAHLLOKOSA-N 374.485 1.926 0 40 FDAB COc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 5350853 COTJSEWRZUDPJP-INIZCTEOSA-N 362.426 1.503 0 40 FDAB CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10968172 KPCCXCZCOVMLMN-UHFFFAOYSA-N 352.398 1.549 0 40 FDAB Cc1cccc(-c2noc(C(=O)NCCNC(=O)c3cccnc3)n2)c1 15082023 SZQBBUYIEGLABE-UHFFFAOYSA-N 351.366 1.600 0 40 FDAB O=C(COc1ccc(F)cc1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127857 ZEBWTBIDKVQLOX-GOSISDBHSA-N 372.396 1.921 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1 225401810 ASRTYJYSKWWHGY-CYBMUJFWSA-N 364.409 1.779 0 40 FDAB COC[C@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)OC 585147700 KVXTYNLSNXAELS-AWEZNQCLSA-N 364.320 1.691 0 40 FDAB CC/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20333066 FOGBRVUWBQXNKT-BSZDNMLHSA-N 373.409 1.711 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1 4884271 FUMIYMWQFLUCKO-UHFFFAOYSA-N 364.379 1.950 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1Cl 6509880 XNVFCQBWTCGOIK-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC1CCCCCC1 32777714 CTULZSXBOAXOGS-LLVKDONJSA-N 373.500 1.903 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1 32906670 KAOUWVUVINDXLY-UHFFFAOYSA-N 351.409 1.767 0 40 FDAB C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N1CCNC1=O 22041850 BWDQOQCXQVUCEU-SECBINFHSA-N 366.374 1.820 0 40 FDAB CN(C)c1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cn1 22327186 JPGZXDMWFPFWOO-UHFFFAOYSA-N 362.455 1.492 0 40 FDAB Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1 22476382 GOJMXJQKIHGPJS-UHFFFAOYSA-N 354.458 1.666 0 40 FDAB Cc1csc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n1 22873479 JDJABECTEIJBNE-INIZCTEOSA-N 362.386 1.996 0 40 FDAB Cc1cccc(CN2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 23249236 QVNIFXHEXIXQJV-OAHLLOKOSA-N 355.490 1.707 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352702 SSOWHLNZRXPOGA-YYQBIWNASA-N 353.422 1.712 0 40 FDAB CCOC(=O)C1=C(CSc2ncn[nH]2)NC(=O)N[C@@H]1c1cccs1 12511189 NACVAMMHQCZLNM-LLVKDONJSA-N 365.440 1.830 0 40 FDAB C[C@@H]1CN(C(=O)CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 105633017 OPJAXWXGPABBSB-RBSFLKMASA-N 368.499 1.719 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420696 NQUHMJFFFHSEEE-YGTYGHESSA-N 360.410 1.370 0 40 FDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24688353 JLSGTJDRYILORI-TZMCWYRMSA-N 358.435 1.523 0 40 FDAB O=S(=O)(N[C@@H]1CCOC2(CCN(Cc3ccco3)CC2)C1)C1CC1 108524901 OFAHYJQZZOERRN-CQSZACIVSA-N 354.472 1.875 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 3297863 ZLKAQNQJBDXMQM-UHFFFAOYSA-N 358.350 1.598 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10433826 WZEUEGHBLJCONV-NWDGAFQWSA-N 362.879 1.954 0 40 FDAB Cc1ccccc1NC(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O 25048663 KNYPLWLJSYSBAC-IIAWOOMASA-N 365.455 1.341 0 40 FDAB CC(=O)N1CCN(C(=O)Cn2c(S)nnc2-c2cccc(C)c2)CC1 27476650 WWVCAPBFICAEQO-UHFFFAOYSA-N 359.455 1.233 0 40 FDAB CC[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CCO1 58192254 LDNBTGZXIKHGBU-SGTLLEGYSA-N 363.389 1.230 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCC(=O)NCc1ccccc1 58186449 FSAFQYUIVUBDFI-UHFFFAOYSA-N 350.444 1.022 0 40 FDAB CCCCn1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1 36391608 WJSKCCHSIVTMRE-ZDUSSCGKSA-N 365.459 1.724 0 40 FDAB O=C(NCc1ccc(CN2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 12764834 FUBOGORUYKQGHZ-KRWDZBQOSA-N 365.499 1.659 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F 36569616 CTYQEPHJTZPJOL-RFAUZJTJSA-N 364.352 1.907 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)c2cncc(Br)c2)C[C@H](C)O1 3499420 PNWWMHFGJPYUQQ-UWVGGRQHSA-N 357.204 1.637 0 40 FDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCc2ccccc21 3463903 WLEVGIFWZGBWAY-OAQYLSRUSA-N 361.401 1.969 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCO2 12924448 RZFFQLKCPYIAAD-UHFFFAOYSA-N 368.397 1.253 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCCOc1ccccc1F 6120685 AYFPMXITJZLUFM-UHFFFAOYSA-N 369.370 1.718 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc[nH]n2)c1 6173243 KXUMUJKBZISELC-UHFFFAOYSA-N 357.823 1.741 0 40 FDAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)cc1O 6534611 AQDTULXVJGOLQN-UHFFFAOYSA-N 356.378 1.603 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccc(OC)c1OC 18266131 UEIYZJVRZWSAFO-ZDUSSCGKSA-N 372.377 1.568 0 40 FDAB biogenic CCNC(=O)NC(=O)[C@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2 15224408 LINDLRCPNSRAMI-NSHDSACASA-N 364.398 1.556 0 40 FDAB CCc1nnc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)s1 8916388 YZBXEDMBHLAIBH-UHFFFAOYSA-N 361.836 1.590 0 40 FDAB COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cn1 16575285 VQBHLRXYYHKNOI-UHFFFAOYSA-N 352.354 1.958 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1C 408600373 AKJDQFOHDUJDCO-UHFFFAOYSA-N 361.423 1.644 0 40 FDAB Cc1cccc(COCC[C@H]2CCOC23CN(C(=O)c2cn(C)cn2)C3)n1 306133472 MMKLXDDXTJDFPJ-INIZCTEOSA-N 370.453 1.962 0 40 FDAB Cn1cc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 78724112 YUSZTGLWUQGZSB-UHFFFAOYSA-N 352.435 1.456 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1ccc(OC)cc1 95992826 BRPWUYBGDSCCGU-HNNXBMFYSA-N 350.415 1.058 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CCOCC(=O)N(C)C)C1 306135026 OFGOHGBCKUJTQM-INIZCTEOSA-N 361.446 1.540 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408592961 LDXZJANLZIMMMX-AWEZNQCLSA-N 370.471 1.247 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccco3)N[C@](C(=O)OC)(c3ccccc3)[C@@H]2C1=O 33938628 CSTXXNOXJXSUHV-ZKNHNOBHSA-N 368.389 1.614 0 40 FDAB O=C(NS(=O)(=O)c1ccc2c(c1)CCCO2)c1cc2n(n1)CCCO2 408487693 MFLNDJIKFFYIGW-UHFFFAOYSA-N 363.395 1.109 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1ccc(-n2cccc2)cc1 675007943 GJJYDAWJALACFK-UHFFFAOYSA-N 355.394 1.373 0 40 FDAB CCOC(=O)[C@H]1CCCCN1CC(=O)NCCOc1ccccc1OC 39990563 HTDAAQASYXOTKN-OAHLLOKOSA-N 364.442 1.608 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCC2(CC1)OCCc1ccccc12 562783219 IXPCSUZQIIKKBR-UHFFFAOYSA-N 352.456 1.127 0 40 FDAB COCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224404625 FKNYEDIXXXVEQJ-UHFFFAOYSA-N 362.451 1.884 0 40 FDAB CSc1nc(N2CCN(CC(N)=O)CC2)c2c3c(sc2n1)CCC3 85588030 IRIDLHUWAOUXBP-UHFFFAOYSA-N 363.512 1.509 0 40 FDAB O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccccc1F 49544542 JPAAJXQVBLZZKR-UHFFFAOYSA-N 362.357 1.629 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1N1C(=O)CCC1=O 225233547 SQEQCGJJFGGYQJ-LLVKDONJSA-N 354.428 1.671 0 40 FDAB Cc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 224382838 OPXQDJCDAHZADH-OAHLLOKOSA-N 369.487 1.008 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2cccnn2)C1 225418783 GBXLYIBNMFUZKK-LBPRGKRZSA-N 363.395 1.090 0 40 FDAB CCc1nc(CN2CCN(C(=O)CCc3c(C)nc(C)nc3O)CC2)no1 329393829 WJVCJGIYDUVPEU-UHFFFAOYSA-N 374.445 1.021 0 40 FDAB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1 224664610 ZCHDRDZYBMEISN-UHFFFAOYSA-N 363.391 1.842 0 40 FDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 96109429 FPGRPQMMVXBOLE-KSZLIROESA-N 350.434 1.562 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239127 SPHRTLLBDKERES-IBGZPJMESA-N 351.410 1.815 0 40 FDAB CN(C)C(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96242053 QSQAZJOFFJULBB-CQSZACIVSA-N 350.484 1.945 0 40 FDAB CC(C)C(=O)N1CCC(C(=O)Nc2cc(-c3nccn3C)nn2C)CC1 330130424 PANRRPWTQCMWQF-UHFFFAOYSA-N 358.446 1.654 0 40 FDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)Nc2ccc(-n3ccnn3)cc2)C1 582436043 PHUXAKYKQSJJLP-CABCVRRESA-N 368.401 1.390 0 40 FDAB COc1ccc(Cc2nnc3sc([C@@H]4CCS(=O)(=O)C4)nn23)cc1 96232328 NNWPMEPWPUSOSJ-LLVKDONJSA-N 364.452 1.687 0 40 FDAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@H]1O2 96100678 YSXWWCZQDPHOFW-FGTMMUONSA-N 359.470 1.800 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cnccn1)C2 96230467 WKHUTIJEFVXDIB-IBGZPJMESA-N 369.400 1.179 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H]1c1nccn1C 583619489 PUVXJRSSRQSYQT-XHDPSFHLSA-N 358.446 1.390 0 40 FDAB Cc1nc(CN2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cs1 96225600 SSYSKMHBZOOKDQ-YOEHRIQHSA-N 364.471 1.468 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159168 HNGKJDLBVRBFKR-UHFFFAOYSA-N 358.423 1.576 0 40 FDAB O=C([C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2)N1CCCC1 96253184 BKULRMYFNJUTDX-VNQPRFMTSA-N 368.430 1.226 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCCC[C@H]1C 245228198 JUGPPZMJVOASHL-DVOMOZLQSA-N 372.421 1.909 0 40 FDAB CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)COC)ccc2c1N 257318168 VMSZBSAVRCKESD-LBPRGKRZSA-N 362.455 1.938 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cccn1 257254534 KDNSQQONQSVGIE-LJQANCHMSA-N 357.458 1.548 0 40 FDAB O=C(CCCc1ccncc1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257243869 IIXQRZCFBUSYTN-FQEVSTJZSA-N 354.454 1.947 0 40 FDAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)CCN)C2)ccc1CO 257220865 DMMPCNXWJGIIMZ-AWEZNQCLSA-N 358.442 1.901 0 40 FDAB CCn1nccc1-c1nccnc1[C@H]1CCCN(S(=O)(=O)N(C)C)C1 257241222 HXEVDVTYFKPMQF-ZDUSSCGKSA-N 364.475 1.346 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)c(OC)c1 257333726 YCUIEZNODQMLTH-DYVFJYSZSA-N 350.415 1.064 0 40 FDAB CCOC[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1c1cnn(C)c1 585655474 MZSCHQFTVCOYMC-HOCLYGCPSA-N 350.444 1.256 0 40 FDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccc(C(=O)O)cc3F)CCO2)n1 262409775 PDHNMYQIGDTKCY-ZDUSSCGKSA-N 362.361 1.273 0 40 FDAB O=S(=O)(CCc1c(F)cccc1F)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 631958049 HXASTVKNVZVCLU-XZBIERFOSA-N 356.438 1.767 0 40 FDAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)cc2)n1 640870986 BBCRNPSVSXPEDY-OTWHNJEPSA-N 354.454 1.898 0 40 FDAB Cc1ccc(Br)cc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 644002332 JYXIUVIDZYFCKL-HNNXBMFYSA-N 355.232 1.600 0 40 FDAB O=C(N=c1ccn(CCc2ccncc2)[nH]1)c1ccnc(-c2ncc[nH]2)c1 645231564 XOVAMDGKBATECX-UHFFFAOYSA-N 359.393 1.980 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1cn(C)cn1 96025609 IDMNEPSDNSUZFZ-UHFFFAOYSA-N 370.456 1.069 0 40 FDAB Cc1noc(C)c1CNC(=O)c1cccc(-n2ccnc2S(C)(=O)=O)c1 390827816 KNOHOCZJZXUHJV-UHFFFAOYSA-N 374.422 1.811 0 40 FDAB O=C(CC1CCOCC1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585268940 FDNGYYTURKJZFD-LJQANCHMSA-N 351.418 1.775 0 40 FDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NC1CC(F)(F)C1 585095724 GAQWQWUBMBUPIT-AWEZNQCLSA-N 352.385 1.871 0 40 FDAB Cc1nnc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1C1CC1 500408211 VPDNNFIYMBWHGO-APWZRJJASA-N 352.442 1.911 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCc2occc21 83995758 JTEUFRWNEOGRCU-SMDDNHRTSA-N 373.434 1.900 0 40 FDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)CN1CCCC[C@H](O)C1=O)C2 644484747 FOAJSFKDRDXICE-KRWDZBQOSA-N 358.438 1.442 0 40 FDAB CCn1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cn1 12222322 LAXGOSUXMYYHLS-UHFFFAOYSA-N 353.426 1.920 0 40 FDAB Cn1nc(CC(=O)N2CCCC[C@H]2CN2CCCC2)c2ccccc2c1=O 12238157 OHDUCJPRYLTWPX-INIZCTEOSA-N 368.481 1.953 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)Cc1ccccc1 14251415 RRNZLKAJYSMSRU-AWEZNQCLSA-N 373.478 1.744 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16576562 UBFAKHAOYHAXBB-CYBMUJFWSA-N 356.444 1.001 0 40 FDAB COc1ccc2c(c1)N[C@H](C1CCN(C(=O)C3CC3)CC1)NS2(=O)=O 19562643 LOLXNUFYUOFCTE-INIZCTEOSA-N 365.455 1.374 0 40 FDAB O=C(N[C@H]1CCCN(C(=O)COc2ccccc2F)CC1)c1cnccn1 19749121 NBKXWZRGGQIJPQ-AWEZNQCLSA-N 372.400 1.806 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 34857574 FIBODOSGJQRCFM-INIZCTEOSA-N 367.515 1.524 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C2CC2)CC1 12187177 KBYGPOBFHRSJIZ-UHFFFAOYSA-N 355.438 1.722 0 40 FDAB CC(=O)N1CCC(C(=O)NCc2nnc3cc(C(F)(F)F)ccn23)CC1 238951297 WZCZFBBLOBOMRF-UHFFFAOYSA-N 369.347 1.623 0 40 FDAB Cc1noc(C)c1CC(=O)NCc1nnc2ccc(N3CCCC3)nn12 239611951 FGAQBZRMYUXVLT-UHFFFAOYSA-N 355.402 1.188 0 40 FDAB O=C(COc1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888914326 FOSPJNKCLUWHLT-GASCZTMLSA-N 364.409 1.098 0 40 FDAB C[C@]1(NC(=O)c2cc(F)ccc2Br)CCS(=O)(=O)C1 37116033 CFJQEKHQVZCDNA-LBPRGKRZSA-N 350.209 1.895 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](n2nccn2)C1 238960000 YIWUDSNRWOSEJL-HNNXBMFYSA-N 365.393 1.525 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)s1 2037985746 VBFKAYVBTOHOKM-KRWDZBQOSA-N 351.472 1.859 0 40 FDAB C[C@@H](c1ccccc1)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542227 DATVNECJOHPLTH-MAUKXSAKSA-N 350.484 1.717 0 40 FDAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2 1565551455 FNGRJQRVXAGYQU-UHFFFAOYSA-N 367.396 1.616 0 40 FDAB Cc1nnc(N2CCO[C@H](C(=O)N3CCSCC3)C2)c2ccccc12 2086860405 PEOZSKVXPJMAFT-INIZCTEOSA-N 358.467 1.719 0 40 FDAB O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(=O)[nH]c1 38755049 ZRNZPAOYCGHUCA-UHFFFAOYSA-N 353.334 1.731 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cn1c(N2CCCC2)nc(C)cc1=O 49410890 QJWSLEDAGRYBTJ-UHFFFAOYSA-N 370.409 1.577 0 40 FDAB O=c1ccc(-n2cncn2)nn1CC1CCN(CC2(O)CCCCC2)CC1 585500785 PDGPFRPTKPAJRP-UHFFFAOYSA-N 372.473 1.231 0 40 FDAB COc1cccc(CCNC(=O)c2c(O)nc3cc(C)ccn3c2=O)c1 8604424 IWSCCORZGXHENM-UHFFFAOYSA-N 353.378 1.690 0 40 FDAB biogenic CC(C)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 40043303 ODTDMGNXADVTNO-NSHDSACASA-N 358.368 1.912 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c(O)c1 59875230 JCCZEYDRQFQSTO-JTQLQIEISA-N 353.400 1.611 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 16206480 CLHCNGPCQXSVCQ-ZDUSSCGKSA-N 369.439 1.888 0 40 FDAB CC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1C 1102707 VTHJJFFQFYBILN-UHFFFAOYSA-N 370.461 1.944 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F 20715414 RLMXQPFRMFSLMF-BJOHPYRUSA-N 364.352 1.907 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@H]3C(c4c(C)nn(C)c4C)=NO[C@H]3C2=O)cc1 101489900 XXBLANDARMXRSN-DOTOQJQBSA-N 366.377 1.532 0 40 FDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c(C)c1 4370496 CBYMFJZZSUYQOY-UHFFFAOYSA-N 351.410 1.909 0 40 FDAB COC(=O)C1=C(N)Oc2ccccc2[C@@]12C(=O)NC(C)=C2C(=O)OC(C)C 4517246 VVXWYQWDIVBZIS-IBGZPJMESA-N 372.377 1.016 0 40 FDAB O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 6402169 QCSIBHNJKGAVIE-ZDUSSCGKSA-N 355.232 1.864 0 40 FDAB O=C(NC1CCCC1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030064 CXQRNEBRKTVAPA-HNNXBMFYSA-N 371.480 1.320 0 40 FDAB CCc1[nH]c(C(=O)NCCC(=O)Nc2ccccn2)c(C)c1C(=O)OC 52968189 BEHXAPXQRGZNAS-UHFFFAOYSA-N 358.398 1.826 0 40 FDAB CC(C)CCNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029633 RRJCCYNDORMCBX-OAHLLOKOSA-N 373.496 1.423 0 40 FDAB O=C(O)c1ccc(N2C(=O)[C@@H]3ON=C(C(=O)c4cccs4)[C@H]3C2=O)cc1 100354882 GJHVRLAYNRBRSD-BXUZGUMPSA-N 370.342 1.573 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 22189336 WETCJFZYKHGVDB-UHFFFAOYSA-N 368.437 1.904 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1 9926915 VBALZTLMDDLVJV-OLZOCXBDSA-N 352.412 1.187 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CN3C(=O)COc4ccccc43)cc12 22472940 CHOCUHAMWSTXQB-UHFFFAOYSA-N 351.366 1.641 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)nc2)NC(=O)N[C@H]1C 22860363 DHAKIVHNOOVOSR-QMMMGPOBSA-N 353.762 1.410 0 40 FDAB COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1 812711 CWUMLSCAZHQBLU-UHFFFAOYSA-N 350.758 1.129 0 40 FDAB CC1(C)Cc2nc3sc4c(N(CCO)CCO)ncnc4c3cc2CO1 987281 PFIZFTCBEZUINU-UHFFFAOYSA-N 374.466 1.882 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)OCc1nnnn1-c1ccccc1 23202925 YIPFURMWFLFUBS-NSHDSACASA-N 357.395 1.586 0 40 FDAB CCC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23349160 RWAPXKWAQKVKED-UHFFFAOYSA-N 351.432 1.420 0 40 FDAB CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007535 FXVRWRKRFFVSEV-MRXNPFEDSA-N 350.415 1.851 0 40 FDAB CC[S@](=O)c1ccccc1C(=O)NC1CCN(S(=O)(=O)CC)CC1 24753892 CCDQJGXJPDLGQE-HSZRJFAPSA-N 372.512 1.358 0 40 FDAB O=C1C(=O)N(Cc2nnnn2-c2ccccc2)C(=O)N1Cc1ccccc1 24978358 FHFSXZNUHMYOMV-UHFFFAOYSA-N 362.349 1.153 0 40 FDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc2c(c1)OCO2 35278751 SIDLBFGKAXPHAI-UHFFFAOYSA-N 373.434 1.873 0 40 FDAB CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c(C)cccn2c1C(=O)OC 3171335 UOUWJHUIOQAPOH-UHFFFAOYSA-N 373.452 1.622 0 40 FDAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCN(c2ncccn2)CC1 47789061 JYEHGWHOTSRPDW-UHFFFAOYSA-N 368.426 1.744 0 40 FDAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3nccs3)nnc12 27815553 PQJHVXKPXCXTIC-UHFFFAOYSA-N 372.435 1.769 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)NC[C@H](C)N2CCC(C)CC2)no1 58168613 QAUANKGFLQMLQB-ZDUSSCGKSA-N 368.503 1.891 0 40 FDAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccnn2)c1 89878927 AHLISSOMTPVDSB-OAHLLOKOSA-N 362.393 1.307 0 40 FDAB Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(-n3cnnn3)c2)o1 58192842 BJOASBUHZQQYGX-UHFFFAOYSA-N 354.414 1.768 0 40 FDAB CN1N=C(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CCC1=O 58222767 FGQXVFSNESAMFF-UHFFFAOYSA-N 350.806 1.783 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 10374574 YAAISOMBWUVFKO-UHFFFAOYSA-N 369.487 1.348 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(CC(=O)N2CCCC2)CC1 45396211 PZMLVXOVOLQCMP-GQCTYLIASA-N 371.437 1.195 0 40 FDAB in-man COc1ccc(C)cc1-n1nnnc1SCC(=O)NC[C@H]1CCCO1 3491762 ZCIXYANCKQTLQF-GFCCVEGCSA-N 363.443 1.367 0 40 FDAB CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1-c1ccncc1 3501704 QFNIRMXKWJWRAR-UHFFFAOYSA-N 362.459 1.934 0 40 FDAB CC[C@H](C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 5083370 SXVYJJUFHUBJDT-JTQLQIEISA-N 370.500 1.710 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 5077310 XGQWEIYWDPCHLW-IBGZPJMESA-N 373.409 1.284 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)N1CCN(c2ccccc2)CC1 13726819 SHNPJJZKLBEZSH-OAHLLOKOSA-N 351.472 1.813 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)C1=O 6542117 KNFYKGDZQPMPDM-CQSZACIVSA-N 373.409 1.054 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccc(O)cc1 6624610 JVKBOKFBHFQRTA-MRXNPFEDSA-N 353.334 1.044 0 40 FDAB biogenic COC(=O)c1c(NC(=O)C(=O)NCCN(C)C)sc2c1CCCC2 6754775 VSOOIZYXWZEDNI-UHFFFAOYSA-N 353.444 1.030 0 40 FDAB COc1ccc2c(C)c(CC(=O)NCCc3c[nH]cn3)c(=O)oc2c1OC 8764748 GYAAOXIKRZIBAG-UHFFFAOYSA-N 371.393 1.743 0 40 FDAB biogenic NC(=O)Cc1csc(NC(=O)c2ccc(N3CCCCC3=O)cc2)n1 21496249 REWFLKAHCAOYAU-UHFFFAOYSA-N 358.423 1.940 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(C(N)=O)CCCC2)o1 72286109 BNAZLIYQNPOVJH-UHFFFAOYSA-N 371.459 1.132 0 40 FDAB Cn1cnnc1CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999691 OMCMLSTTZVRDQW-QGZVFWFLSA-N 354.458 1.128 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306129542 IGPNBEYEJVLKCM-CQSZACIVSA-N 352.456 1.666 0 40 FDAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(C)=O)CC2)C1 306129186 HWWGHCUTUUVIOY-UHFFFAOYSA-N 370.413 1.260 0 40 FDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OCC)c(OC)c2)C1=O 409255090 XTZDAOLTNRCDNQ-UKTHLTGXSA-N 362.382 1.940 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 33718949 QWPGUMSNWWSWKW-ONNFQVAWSA-N 354.746 1.423 0 40 FDAB COc1ccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)cc1 306124748 BYHJTDCQYFJGBH-MRXNPFEDSA-N 355.442 1.541 0 40 FDAB CCCCCN1CC(=O)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773633 FKCKQYZEHPBSIE-DLBZAZTESA-N 350.484 1.999 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38666487 RQPKWKPCAZILTJ-NSHDSACASA-N 351.384 1.604 0 40 FDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCCn1cccn1 30168359 RQNJJPBRXHTMNE-CYBMUJFWSA-N 350.444 1.534 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1C(F)F 563528539 CMFFIYXRKOYBIY-QWRGUYRKSA-N 361.414 1.856 0 40 FDAB CC(C)c1ccc(CN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 32504638 KURULWAFAYMPNI-UHFFFAOYSA-N 354.454 1.862 0 40 FDAB O=C(O)Cc1ccc(-c2nn3c(CC(=O)O)nnc3s2)cc1Cl 41126935 OSXWLFPUFYLQEX-UHFFFAOYSA-N 352.759 1.760 0 40 FDAB Cc1[nH]cc(I)c(=O)c1I 40544535 MFEYMXCMZZPNDG-UHFFFAOYSA-N 360.920 1.893 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1Br 42645817 CYUREWAZKWTCTO-UHFFFAOYSA-N 370.247 1.226 0 40 FDAB O=C(C1CCOCC1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 85436069 XFFWGCDCLPRVHU-QGZVFWFLSA-N 361.417 1.701 0 40 FDAB biogenic,in-vitro CC(=O)NCC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244373 YOQJOIKRVKBXKR-FQEVSTJZSA-N 366.421 1.280 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cccnc1)C2 96050270 FGSIFKNJSCASPO-HXUWFJFHSA-N 368.412 1.784 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3c[nH]cn3)c2)N1 257230529 GCSSNNUUJWLADE-QRTARXTBSA-N 355.398 1.446 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)N[C@@H]1CCc2c(F)cccc21 1615554645 YGKYINOEZDWUBN-OAHLLOKOSA-N 359.405 1.819 0 40 FDAB Cc1nnc(-c2cccc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)c2)o1 1650745824 PHHDGKGHBBMHER-OAHLLOKOSA-N 370.409 1.148 0 40 FDAB O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCc2nnc(O)cc2C1 654263406 SGOBHQNTWOBCJA-ZYHUDNBSSA-N 360.336 1.750 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@@H]2CO)c1 661371135 WFARUHPJYIWIRY-QGZVFWFLSA-N 353.422 1.751 0 40 FDAB O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCC(c2nnc3ccccn23)CC1 662364302 XTYUCXVSAQBOML-AWEZNQCLSA-N 365.441 1.549 0 40 FDAB Cn1cc(CN2CC[C@@H](N[C@H]3CCCc4cccnc43)C2)c(C(N)=O)n1 1775961655 QNKSMOLEEAGZHZ-CVEARBPZSA-N 354.458 1.156 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 585101128 GSDRCZMGAMEYRO-GOSISDBHSA-N 374.416 1.728 0 40 FDAB Cc1cc(C(=O)N2CCn3c(COc4cccnc4)nnc3[C@H]2C)no1 585098442 YOXAUJVQDOBXFM-GFCCVEGCSA-N 354.370 1.766 0 40 FDAB COc1ccccc1OCC(=O)N1CC[C@H](S(=O)(=O)C(C)(C)C)C1 96120064 QNGMDMHOVHHLRW-ZDUSSCGKSA-N 355.456 1.888 0 40 FDAB COC(=O)c1ccc(COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 14013460 MKWDWHMNTXVCIF-GJZGRUSLSA-N 357.362 1.468 0 40 FDAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14137742 HPNCCPXAHFLNBL-MNOVXSKESA-N 354.453 1.954 0 40 FDAB COc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 19565479 SNAFLMSBQRCMHH-UHFFFAOYSA-N 354.454 1.980 0 40 FDAB COc1cnc(C2(O)CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)c(OC)n1 19571955 OSORKIWHWDXXIR-UHFFFAOYSA-N 373.413 1.218 0 40 FDAB Cc1nc([C@@H]2CCCCN2C2CCOCC2)ncc1C(=O)N1CCOCC1 19751820 WNRVSKKCRRMDBE-SFHVURJKSA-N 374.485 1.963 0 40 FDAB CCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930056 KKPCTYIKNUCSHW-UHFFFAOYSA-N 364.851 1.122 0 40 FDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCCC4)C[C@H]2C(=O)N1Cc1ccccc1 1888857178 CAGAFYVUZNWUFY-IAGOWNOFSA-N 364.449 1.906 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc(C)on5)C[C@H]4C3)n1)CCC2 1888868586 LGYMBXZNPINNMV-OKILXGFUSA-N 353.426 1.779 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc1 1888879568 JXWHZAGSJXIPIU-LBPRGKRZSA-N 358.485 1.141 0 40 FDAB COc1cccc(C(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037985664 RKJLBDJVHSDCKL-IBGZPJMESA-N 362.426 1.174 0 40 FDAB CNC(=O)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 2056225698 YVWLEQFBEUGPEZ-GOSISDBHSA-N 354.454 1.847 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)c1csnn1)C2 1565553425 YLAOICNDEUJSDG-GUYCJALGSA-N 357.439 1.444 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)/C=C\c4ccccc4)CC3)ncnc21 13533249 SDZVSYMOKUSGMW-HJWRWDBZSA-N 363.425 1.603 0 40 FDAB COC(=O)N1CCC(CNS(=O)(=O)c2cc(OC)ccc2OC)CC1 43956913 ZFNOSTHSZVCNDU-UHFFFAOYSA-N 372.443 1.461 0 40 FDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc(Cn2ccnc2)cc1 575618410 BGZXULACFBSOHX-UHFFFAOYSA-N 363.421 1.796 0 40 FDAB O=C(CN(Cc1ccccc1)Cc1ccco1)N[C@H]1CCS(=O)(=O)C1 40161541 HBSGQWJDRMFHHV-INIZCTEOSA-N 362.451 1.585 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1NS(C)(=O)=O 40154654 GQOSLPGPJQPBTC-NSHDSACASA-N 365.411 1.086 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CCO1 50848729 SWIMGRQEVDDZGE-MRXNPFEDSA-N 371.368 1.404 0 40 FDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCO1 51164288 MSVMYXNUNOLEEU-INIZCTEOSA-N 352.456 1.609 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N(C)c1ccccc1 3548728 OSDHOTYQCVYPEV-CYBMUJFWSA-N 351.366 1.871 0 40 FDAB O=C1N[C@H]2CCCC[C@@H]2N[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 4058196 UWBQHZKARFQCON-OKZBNKHCSA-N 356.470 1.125 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 6646500 UHHNWWFTMUISMS-UHFFFAOYSA-N 359.426 1.609 0 40 FDAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 6916719 MEYAVQVVFDEFCU-UHFFFAOYSA-N 369.377 1.507 0 40 FDAB COc1ccc(NCC(=O)N2CCC(C(N)=O)CC2)cc1OC(F)F 32770333 YPEHAIDZXLJGFZ-UHFFFAOYSA-N 357.357 1.432 0 40 FDAB COc1ccc(Nc2nnc(S[C@H](C)C(=O)NC(N)=O)s2)cc1 2657252 LLYOCOJAIRKTNM-SSDOTTSWSA-N 353.429 1.966 0 40 FDAB O=C(O)COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1 8732561 ZRVLTQKENWGDHX-HNNXBMFYSA-N 368.389 1.819 0 40 FDAB COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1O 2770722 AACOISDOLSTGJP-XVNBXDOJSA-N 360.107 1.186 0 40 FDAB CC(C)N(C(=O)[C@H](C)OC(=O)c1csc(S(N)(=O)=O)c1)C(C)C 21839551 WIFSICYQDLVPBZ-JTQLQIEISA-N 362.473 1.586 0 40 FDAB CCc1noc(C)c1C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 22223886 BLULHBSYRHRFSG-UHFFFAOYSA-N 367.365 1.797 0 40 FDAB CC(C)c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 22777155 AGKGZRSQCWWEKZ-ROUUACIJSA-N 352.500 1.086 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1 23246615 UCZYOEDUUDNPED-UHFFFAOYSA-N 358.442 1.835 0 40 FDAB O=C(c1cccnc1OCC(F)(F)F)N1CCN(c2ncccn2)CC1 24490313 LVDMWUYQEQSVQV-UHFFFAOYSA-N 367.331 1.775 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 101443373 YXXDMSFDKVXIHG-ZIGSKRJUSA-N 351.362 1.908 0 40 FDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cc(C)on1 24761238 LHBYHLPGFLZFRK-UHFFFAOYSA-N 364.354 1.140 0 40 FDAB CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 118929143 CEOUYEBWMNZTMV-YRCLAMMRSA-N 366.498 1.797 0 40 FDAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 3293662 RYYMFRNBKLTFCS-UHFFFAOYSA-N 366.370 1.529 0 40 FDAB O=C1CN(C(=O)CCn2ccc3ccc(Br)cc32)CCN1 12664562 JFOPDDXFTRXMHW-UHFFFAOYSA-N 350.216 1.752 0 40 FDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 58200841 OACUIIXVZPYERD-INIZCTEOSA-N 351.472 1.894 0 40 FDAB O=C(CNC(=O)c1ccsc1)NCc1nc(Cc2ccccc2)no1 58231168 GSEYJEKVHZMINA-UHFFFAOYSA-N 356.407 1.768 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@H](C)CC[C@@H]2CCCO2)cc1OC 58363450 CNDWSJTWKINZCN-HIFRSBDPSA-N 364.442 1.898 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1cccn1 36391286 RJMZGFZAEREBMS-UHFFFAOYSA-N 355.398 1.185 0 40 FDAB CN(C)c1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)c(=O)n2C 20428054 ZZQAGTGZSVPDET-UHFFFAOYSA-N 370.384 1.695 0 40 FDAB NC(=O)C1CCN(C(=O)c2ccccc2I)CC1 8380072 LEDAVFDVKGHROZ-UHFFFAOYSA-N 358.179 1.629 0 40 FDAB O=C(CCc1ccccc1)OCCNC1=NS(=O)(=O)c2ccccc21 4474897 HMPPPCSZHUAETC-UHFFFAOYSA-N 358.419 1.901 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408597388 VECACWANULJHPT-UONOGXRCSA-N 370.471 1.390 0 40 FDAB C[C@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 65514462 ANKCYACAZLJSAO-PIGZYNQJSA-N 360.391 1.977 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)OC)cc1 65588616 SZZQRMJXFZXJMB-SMDDNHRTSA-N 357.428 1.583 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCn1nnc2ccccc2c1=O 5305434 PLGXZEJWLQLBDJ-UHFFFAOYSA-N 352.350 1.607 0 40 FDAB O=C(COC(=O)c1cc2c(s1)CCC2)NCCN1C(=O)CSC1=O 5308333 SIBXLFKZTMFPBW-UHFFFAOYSA-N 368.436 1.205 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2cccs2)NC(=O)N[C@@H]1C 6497382 FLVJFWQQPJOOQM-VQCYPWCPSA-N 350.396 1.823 0 40 FDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2ccccn2)CC1 14118047 KUBQMDLHZPIWML-UHFFFAOYSA-N 365.393 1.247 0 40 FDAB Cn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1 14182760 OSFROPOWVUIPIR-UHFFFAOYSA-N 354.457 1.447 0 40 FDAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)cc1 4511629 BINXJOJJZUKASC-UHFFFAOYSA-N 371.422 1.784 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)n[nH]1 8611667 HVAJNDSQDXBTAC-UHFFFAOYSA-N 364.427 1.097 0 40 FDAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1OC 5417891 URGGFSSMYLUBLW-INIZCTEOSA-N 364.398 1.911 0 40 FDAB O=C(c1cc(F)c(F)c(F)c1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 6601957 VNZAKBYVGJBTOG-LLVKDONJSA-N 360.307 1.706 0 40 FDAB O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1cccnc1 15082655 NRRGAHUFXIKNON-UHFFFAOYSA-N 355.329 1.431 0 40 FDAB O=C([C@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1)N1CCOCC1 66936044 JGAFBOUEBYJNPG-OAHLLOKOSA-N 374.409 1.367 0 40 FDAB COc1cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)cc(OC)c1OC 9134337 YBEZSZVSTNZABT-AWEZNQCLSA-N 374.393 1.501 0 40 FDAB 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COCc1nc2n(n1)C[C@H](NC(=O)c1coc3ccc(OC)cc13)CC2 507345622 CLUBNHCXQDDXNV-LLVKDONJSA-N 356.382 1.924 0 40 FDAB COC(=O)c1ccc(CS(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 216352526 IIFVXAUICXKEAI-UHFFFAOYSA-N 360.391 1.762 0 40 FDAB NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccsc3)c(=O)[nH]2)C1 14987937 GLKCUERHLHESKD-ZDUSSCGKSA-N 374.466 1.064 0 40 FDAB Cc1ccc(NC(=S)c2c(N)nc(N3CCOCC3)[nH]c2=O)c(C)c1 40385527 CQKYEXANXJMEFF-UHFFFAOYSA-N 359.455 1.593 0 40 FDAB S=C(NC[C@@H]1CCCO1)Nc1nc(Cl)cc(N2CCOCC2)n1 225910497 OGSRVJFAJLDCPD-JTQLQIEISA-N 357.867 1.432 0 40 FDAB Cc1sc2c(C)cccc2c1S(=O)(=O)N1CCO[C@H](C(=O)O)C1 573792330 XNOZHHHINFVDNE-LBPRGKRZSA-N 355.437 1.992 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)s1 224404856 BFVVFHAGSIYTFU-UHFFFAOYSA-N 372.428 1.705 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)CC1 225031973 XIZZAPRTSBGYMB-UHFFFAOYSA-N 370.427 1.244 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 96224432 SOQLZRJAFWYALB-IBGZPJMESA-N 353.426 1.470 0 40 FDAB CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 333227838 XRJFAECSIZMAPZ-HRCADAONSA-N 372.512 1.228 0 40 FDAB CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2ccc(F)cc2)CC3)CC1 96187424 JKRIXLRTUDGPPQ-UHFFFAOYSA-N 357.433 1.495 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)NCC2CC2)C1 248032288 LPFZAXZIBFMLMQ-HNNXBMFYSA-N 355.442 1.449 0 40 FDAB COc1cc(COC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC 252445506 QZZNBGSXFVUYCE-IIAWOOMASA-N 369.458 1.699 0 40 FDAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1CC1CCOCC1 253592829 ZJUMNOGWCJBUSP-OAHLLOKOSA-N 362.474 1.088 0 40 FDAB COc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)n(C)n1 585138479 VDAPMRAYORQWCM-UHFFFAOYSA-N 361.221 1.695 0 40 FDAB CCOc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257331732 XUANEWXBQCXWIH-BRWVUGGUSA-N 357.410 1.918 0 40 FDAB CN1C(=O)C[C@H](C(=O)NCC2(c3cccc(F)c3)CC2)[C@H]1c1nccn1C 1615587948 AQRGYZCMLFRKHK-RDJZCZTQSA-N 370.428 1.927 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCn2c(nnc2C(F)(F)F)C1 1634047724 ZLEAGWZUYUOBMI-UHFFFAOYSA-N 351.292 1.084 0 40 FDAB C[C@@](CC(=O)N1CCN(CCO)CC1)(C(=O)O)c1ccc(Cl)cc1 634939941 SGFPUDQNXQZUFH-KRWDZBQOSA-N 354.834 1.209 0 40 FDAB O=C1Nc2ccccc2CC[C@H]1N1CCN(c2cncc3ncnn23)CC1 299188290 CGUBPLCOBATKQT-MRXNPFEDSA-N 363.425 1.200 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 585103809 RRPIETOSFNFQOJ-HNNXBMFYSA-N 371.441 1.548 0 40 FDAB Cc1noc(C2(NCC(=O)NC[C@@H]3Cc4ccccc4O3)CCOCC2)n1 585140120 CAACUGIWMULROY-HNNXBMFYSA-N 372.425 1.093 0 40 FDAB CNc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)ccn1 585278410 SNURJIIABLBTQX-FQEVSTJZSA-N 355.438 1.878 0 40 FDAB Cc1cccc(Cc2cnc(NC(=O)CN3CCNC(=O)CC3)s2)c1 54638745 TUJIQBODKQAZAJ-UHFFFAOYSA-N 358.467 1.803 0 40 FDAB COc1ccc(C[C@H](C)CNS(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 581546106 VDFREROOLWVMDR-ZFWWWQNUSA-N 370.471 1.505 0 40 FDAB CC(C)NC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12086700 DNSUTGZERJWVFC-FQEVSTJZSA-N 373.453 1.427 0 40 FDAB Cn1cc(NC(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)cn1 12086861 QUQWUKYADYCCRT-UHFFFAOYSA-N 370.409 1.443 0 40 FDAB O=C1NN=C(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)[C@@H]2C=CC=C[C@@H]12 12143285 DICXLGDPYJHMFC-DODZYUBVSA-N 365.433 1.598 0 40 FDAB COc1cccc(C(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)c1 12336928 CNOIGBSVNWCRQO-UHFFFAOYSA-N 368.397 1.721 0 40 FDAB COCCCn1c(-c2cccs2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13014466 OBAHUIUCINTCKE-UHFFFAOYSA-N 373.438 1.451 0 40 FDAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 17535490 SQYRUXBUZJGBKK-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)C(=O)O1 19460940 USVGJAUHMFYRSI-BBRMVZONSA-N 372.469 1.908 0 40 FDAB CCc1nc(-c2cncnc2[C@H]2CN(CC(=O)N(CC)CC)CCO2)no1 19693698 BOLWNQBZTQOHSN-CQSZACIVSA-N 374.445 1.331 0 40 FDAB CCN1CCN(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)C(=O)C1=O 225678015 KXLZUVFZXFINAW-CYBMUJFWSA-N 359.382 1.015 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238811222 AIZIECPDKXQNDH-RBSFLKMASA-N 361.423 1.214 0 40 FDAB COCCN1C(=O)C[C@H]2[C@H](CNC3CCN(C(C)=O)CC3)[C@@H](C)C[C@H]21 1775964357 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CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NC1CC1 12743555 LWBUILHBTUEDDY-WFASDCNBSA-N 368.455 1.200 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2c(cc1O)OCO2 48276162 LVRBANALNIYNRV-UHFFFAOYSA-N 357.366 1.283 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC2(c3ccccc3)CC2)C1 45376966 XAVAYIYBVNENQR-OAHLLOKOSA-N 351.472 1.441 0 40 FDAB O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1nc[nH]n1 48355231 VCYWOALJIVUQQQ-UHFFFAOYSA-N 356.155 1.465 0 40 FDAB CSc1nnc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 16751854 PLMHRHBRJPYJSX-UHFFFAOYSA-N 365.849 1.359 0 40 FDAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)cn1 71060304 KZONFSWOKTWTFB-UHFFFAOYSA-N 364.409 1.588 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)C[C@@H](C)O1 6175721 MLRKLHLAKZTNDK-FMKPAKJESA-N 359.426 1.175 0 40 FDAB O=C1CCC(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)=NN1 4349068 IEYIOQIZTKSDOA-UHFFFAOYSA-N 357.410 1.277 0 40 FDAB COCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1 14235204 RIWNSYBKFDBYFH-SNVBAGLBSA-N 356.806 1.473 0 40 FDAB 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c1cc2n(n1)[C@H](CCN1CCCCC1)CN(c1ccc3nncn3n1)C2 306128846 HMKXLKOHKXFTMT-MRXNPFEDSA-N 352.446 1.758 0 40 FDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1 96345648 GZCCTRCVHCKQLO-QMMMGPOBSA-N 360.374 1.854 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@@H](COc3ncccc3F)CCN2C)C1 306143331 XZGUUIOXEAWFHK-AWEZNQCLSA-N 371.478 1.736 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(Cl)cc2)CC1 21897238 KHZXVYYQOMHFCW-UHFFFAOYSA-N 360.863 1.507 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 408608716 RYFJJLLLHZCHHL-UHFFFAOYSA-N 356.444 1.003 0 40 FDAB CCc1ccc(OCC(=O)NCCN2CCOCC2)c(Br)c1 218862993 GLEDDMTYTPTNFF-UHFFFAOYSA-N 371.275 1.839 0 40 FDAB CN1CCN(C(=O)CCCc2ccccc2)C[C@@](O)(Cn2cccn2)C1 72354528 WBGHILHBKFAOFR-HXUWFJFHSA-N 356.470 1.411 0 40 FDAB O=C1CN(C(=O)CCn2ccc3c(Br)cccc32)CCN1 40286321 HFJJITCBSGXIDE-UHFFFAOYSA-N 350.216 1.752 0 40 FDAB CN([C@@H](C(=O)NCCCn1ccnc1)c1ccccc1)S(C)(=O)=O 225716391 DINMYMSQOMXBNB-OAHLLOKOSA-N 350.444 1.022 0 40 FDAB COc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 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245237350 KNYPLWLJSYSBAC-LZWOXQAQSA-N 365.455 1.341 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257258576 KUQDOYURULKWRU-IBGZPJMESA-N 357.458 1.454 0 40 FDAB CN(CC(=O)NCc1cnc([C@H]2CCCCO2)nc1)Cc1cccnc1 257246167 ISVJLDPNFCJGEL-QGZVFWFLSA-N 355.442 1.861 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257336097 YNDOONYMPCKMAW-OAHLLOKOSA-N 357.414 1.152 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N2CCC(c3cn[nH]c3)CC2)[C@H]1c1nccn1C 1775960932 GNFKKHHPYPJQFU-RDJZCZTQSA-N 370.457 1.459 0 40 FDAB C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)c1nnc2n1CCCC2 623773666 DMELIRPJDNVBKK-XPKDYRNWSA-N 356.430 1.900 0 40 FDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cnn4c3OCCC4)nc21 90583888 APCQDRFJGUHVOC-VIFPVBQESA-N 362.411 1.967 0 40 FDAB CS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 1116129184 HLYKZWIBWFANRK-NXEZZACHSA-N 369.468 1.946 0 40 FDAB Cc1ncc(NC(=O)c2cc(F)ccc2N2CCOCC2)cc1C(N)=O 634115260 XYFAQBPZOQMPTA-UHFFFAOYSA-N 358.373 1.717 0 40 FDAB Cc1cnc2c(S(=O)(=O)N[C@@H](Cc3ccncc3)C(=O)O)cccc2c1 647928043 CWOYXFQNSZRZEC-HNNXBMFYSA-N 371.418 1.912 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(C(=O)CCCc3cn[nH]c3)CCO2)c1 585277265 LPSFKDOLJSQIMQ-HXUWFJFHSA-N 357.454 1.873 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCOCC1)C2 585104172 MERVZSYVRZDNOH-GOSISDBHSA-N 360.454 1.736 0 40 FDAB CS(=O)(=O)CC1(CN2CCCN(C(=O)c3ccccc3)CC2)CC1 678073892 MDUAOGZFWRBVHI-UHFFFAOYSA-N 350.484 1.659 0 40 FDAB CCOC(=O)C1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 43937415 CCTSHGOAYNUMMQ-UHFFFAOYSA-N 358.402 1.684 0 40 FDAB CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 92503270 WDFNZTNZMURVCZ-ZDUSSCGKSA-N 370.375 1.479 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268070 ZVRATRIDWHGTSI-IUODEOHRSA-N 355.398 1.524 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 13583606 MVVRECSWYQVSNV-FHIRATQRSA-N 354.786 1.726 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15359040 DCMHJZNXUKPFKD-SECBINFHSA-N 358.441 1.734 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)n1 19290871 FROKTSUHKGWNCA-CYBMUJFWSA-N 350.382 1.195 0 40 FDAB O=C(N[C@@H](CCN1CCOCC1)c1ccccc1)c1cccn2nnnc12 19661944 DOCYPLAOOGKUAT-KRWDZBQOSA-N 366.425 1.318 0 40 FDAB CC(=O)NCC(=O)N1CCC(c2cc(-c3cnn(C)c3)cc(C)n2)CC1 19692198 QUKHJJBYJVXSGS-UHFFFAOYSA-N 355.442 1.633 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cnc21 19716121 VLFYCDUXAQKDQJ-AWEZNQCLSA-N 367.409 1.549 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)CCc3nc(C)no3)CC2)cn1 19749738 XRLKQDLQEGZIAJ-AWEZNQCLSA-N 372.429 1.220 0 40 FDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(F)c3)CC2)c1=O 575607056 ULFXIACSJMVRNP-UHFFFAOYSA-N 373.310 1.612 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC2(Cl)Cl)cc1 6084493 TVXDKANSSUWJLO-SNVBAGLBSA-N 351.255 1.861 0 40 FDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCSCC1 1888834675 CZZNZWIZTLCASC-GFCCVEGCSA-N 361.389 1.881 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)c1C 1888876133 HPFGUAGMLCYNSS-UHFFFAOYSA-N 364.457 1.974 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4ncnc5c4CCCC5)CC3)c21 1888897146 OWVRXMWXKLJVPZ-UHFFFAOYSA-N 350.430 1.359 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nnc2ccccn12 22422355 BFXCXLVAEZWKHB-LBPRGKRZSA-N 350.382 1.260 0 40 FDAB Cn1nc(COc2ccccn2)c2c1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565547093 FFIZETRTRBGJQS-UOIKSKOESA-N 354.410 1.171 0 40 FDAB COC(=O)[C@@H]1C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1ncn(C)n1 1565549094 PTUPHESSZQRCBR-CVEARBPZSA-N 371.441 1.093 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1F 9571279 SBGIJQYLGAPTPY-UHFFFAOYSA-N 369.328 1.558 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)OCc4ccccc4)CC3)ncnc21 13532918 DRQQGTYHWJCLHM-UHFFFAOYSA-N 353.386 1.217 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CCc2nc3ncccc3cc2C1 1890119024 XNTZWDUEDXGZLW-UHFFFAOYSA-N 350.378 1.536 0 40 FDAB Cc1nnc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)c2ccccc12 2086860406 PEOZSKVXPJMAFT-MRXNPFEDSA-N 358.467 1.719 0 40 FDAB O=C(CSCc1ccccc1)NCCOCCN1C(=O)CCC1=O 575618465 AHEGHDXOCDJBCR-UHFFFAOYSA-N 350.440 1.202 0 40 FDAB 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1.955 0 40 FDAB COc1ccc(CC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 2296805 YCMRSWSTJYWKCP-KRWDZBQOSA-N 370.405 1.166 0 40 FDAB COc1ccc(C(=O)Nc2ncccc2O)cc1S(=O)(=O)N(C)C 58403638 JJTFEYXMCDFAPL-UHFFFAOYSA-N 351.384 1.298 0 40 FDAB CCOCc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)ccc1OC 10918171 UEFDGMIQOAYKOF-UHFFFAOYSA-N 361.402 1.422 0 40 FDAB CCSc1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 3565564 CWPYLZQGYRTBKX-UHFFFAOYSA-N 355.445 1.453 0 40 FDAB O=C(NCc1ccccc1F)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 70021326 DFEPHYONKHZIRK-UHFFFAOYSA-N 373.369 1.451 0 40 FDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(N2CCOCC2)cc1 8394539 DDJKCXJAXPREFU-LLVKDONJSA-N 374.470 1.597 0 40 FDAB COc1ccccc1-n1cnnc1SCC(=O)NC(=O)NCC(C)C 6082078 DSXUWACQMGDPOD-UHFFFAOYSA-N 363.443 1.850 0 40 FDAB CC(C)CCn1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13815724 OBPAEYCGZUQYBR-CQSZACIVSA-N 361.490 1.712 0 40 FDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 4680305 FZSGXSKGPXHCDX-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB O=C(c1cn(Cc2ccccn2)nn1)N1CCCN(C2CCCC2)CC1 80400887 SDMODYZONFYHGY-UHFFFAOYSA-N 354.458 1.812 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2nc3ccccc3s2)n(C)c1=O 7416417 SQWLHHLNMLHSOT-UHFFFAOYSA-N 361.814 1.745 0 40 FDAB C[C@@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)N[C@@H]1CCCCNC1=O 68145883 UGLKPGSRXDMUCR-GXFFZTMASA-N 374.409 1.226 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 72273181 YGFSHWUYSCYNOJ-ZANVPECISA-N 367.393 1.622 0 40 FDAB COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408596269 RWPCZYGQJRKMME-CYBMUJFWSA-N 356.488 1.847 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCC[C@@H]1C(=O)O 9593978 NZIIMAPWLMBIQF-CQSZACIVSA-N 354.428 1.325 0 40 FDAB C[C@]1(c2cccs2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 9513770 DKIQRIUTZQJEGG-MRXNPFEDSA-N 364.427 1.284 0 40 FDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C 76094129 QSVXZGWKBFKEOR-NEPJUHHUSA-N 350.481 1.429 0 40 FDAB Cc1c(C(=O)NCCc2nnc3ccccn23)sc2nc[nH]c(=O)c12 95474631 CQYKTCORDKTSQM-UHFFFAOYSA-N 354.395 1.308 0 40 FDAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCc4nnc(C)n4C3)c2)n1 95432716 OAGLTCSWWPHZNT-CQSZACIVSA-N 364.409 1.846 0 40 FDAB Cn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)cc1C(N)=O 79110934 COEQCXOEOCPBRE-UHFFFAOYSA-N 370.434 1.915 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)c3cccc(NC(=O)C4CC4)c3)CCO2)cn1 75107453 MKOSDKKUGVRWPL-KRWDZBQOSA-N 354.410 1.982 0 40 FDAB O=C(NCc1ccc(F)cc1)NC[C@]1(N2CCOCC2)CCSC1 31095174 JYWRXQJDZQKQFF-QGZVFWFLSA-N 353.463 1.833 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc(C(F)(F)F)c1 32689060 SMXMKBOKIURUAX-UHFFFAOYSA-N 355.272 1.597 0 40 FDAB CC(C)NC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(F)cc3)c21 72347778 NWGINSLFUVUMQS-UHFFFAOYSA-N 370.388 1.538 0 40 FDAB CN(C)c1ncccc1CNC(=O)N1CCN(CC2CCOCC2)CC1 77553031 BKKOOINOCJOVEJ-UHFFFAOYSA-N 361.490 1.401 0 40 FDAB COc1ccc(NC(=O)C(=O)NC(C)C)cc1N1CCCCS1(=O)=O 40284342 QNSLWFXNXUVOIM-UHFFFAOYSA-N 369.443 1.088 0 40 FDAB CCN1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 328682916 DGGCMXDUIMCFMB-ZFWWWQNUSA-N 353.829 1.826 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)CCC1=O 224894947 BEISYWWLXQRAOA-UHFFFAOYSA-N 352.412 1.523 0 40 FDAB COc1ccc([C@@H]2CCCN2C[C@H](O)CN2CCOCC2)c(OC)c1 40013603 JWMHKTRBDKPMFD-QAPCUYQASA-N 350.459 1.534 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc(N3CCOCC3)nc1)C2 225520562 SGZFFGGZIMNASD-OAHLLOKOSA-N 355.442 1.371 0 40 FDAB Cc1cccc(CO[C@@H]2[C@H](NC(=O)c3ccoc3)CN3CCOC[C@H]23)n1 96198689 HPYVCWZQUQBXAE-KZNAEPCWSA-N 357.410 1.381 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@H](O)C=C4[C@H](C2)N(C)CC[C@@]431 96316395 LQIKGKFOKAXCRM-OLMFILLTSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro O=C(O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(c1nncs1)C2 96038588 NHBUDTGXKPCKQB-YOEHRIQHSA-N 359.455 1.736 0 40 FDAB O=C1N=C(c2ccccc2)N[C@@]12CC[C@@H]1CN(S(=O)(=O)C3CC3)C[C@@H]12 96061769 JTNPNTVXYDJQNG-QIIPPGSGSA-N 359.451 1.136 0 40 FDAB Cc1cccc(COC[C@]23COC[C@H]2CN(S(=O)(=O)C2CC2)C3)n1 96108939 NBASPNVCPITEDH-PBHICJAKSA-N 352.456 1.347 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccncc1)C2 96077265 VVDYJIOMNIHDGS-SFHVURJKSA-N 356.451 1.706 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cc(C)on1)CC2 247954427 ZLZNZEZJVGIKJC-CQSZACIVSA-N 357.476 1.103 0 40 FDAB CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccn(C)n3)C2)OC1 248123969 NZZDPAXCUHFSRI-OAHLLOKOSA-N 358.442 1.766 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ncn(C)c21 248007184 CMBWCFZNCZFVIV-ZDUSSCGKSA-N 364.396 1.560 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)no1 253480530 XLWZDSIQJNLLST-ZDUSSCGKSA-N 354.428 1.039 0 40 FDAB C[C@@H]1CN(c2nccnc2CC2CCN(S(C)(=O)=O)CC2)C(=O)O1 257265016 LWXYTEGRHKPMJZ-LLVKDONJSA-N 354.432 1.036 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CNC(=O)c1ccccc1 257245642 IQKVXAKKYPFZKQ-TWFHAPMSSA-N 369.465 1.807 0 40 FDAB CNC(=O)c1cnn2c(C3CCN(c4cc(C)ncn4)CC3)ccnc12 257260118 LBJHXMAQAHJKBS-UHFFFAOYSA-N 351.414 1.571 0 40 FDAB Cc1cc(-c2cc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]n1 257254601 KDVQJFPGSIHMMY-ZDUSSCGKSA-N 364.475 1.236 0 40 FDAB CCCn1nccc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257278273 OBOAOWLFCADWPA-AWEZNQCLSA-N 363.487 1.964 0 40 FDAB CN(CCNC(=O)[C@]1(C)CCCOC1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 1737768592 HNANKCDGBIHFEA-FRQCXROJSA-N 352.475 1.440 0 40 FDAB CC(=O)N1CCc2c(NC(=O)[C@H](C)n3cnc4c(N)ncnc43)cccc21 613584079 GSNQGSONRAJQGV-JTQLQIEISA-N 365.397 1.517 0 40 FDAB O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCC(c2nnc3ccccn23)CC1 662364303 XTYUCXVSAQBOML-CQSZACIVSA-N 365.441 1.549 0 40 FDAB COc1cc(C)nc(N2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1 674794555 INWLYQMFJGDDGF-UHFFFAOYSA-N 362.380 1.963 0 40 FDAB O=C(NCc1ccccc1F)C1CN(c2cc(-n3ccnc3)ncn2)C1 390827538 HKRCNRRIJGCQIJ-UHFFFAOYSA-N 352.373 1.554 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3OC[C@H](CN4CCCC4)[C@H]3C2)cc1 575405542 UIJIVSMEMAGOAN-CGTJXYLNSA-N 350.484 1.726 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NC2CC(F)(F)C2)C1 585095746 HZTUHTAXBIGGHO-LERXQTSPSA-N 352.385 1.726 0 40 FDAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 583652529 SQBJNHAMLRAQMU-XIKOKIGWSA-N 373.482 1.980 0 40 FDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccccn2)CCO1 585282223 BWMDTMSTUSBLDO-LJQANCHMSA-N 373.384 1.386 0 40 FDAB COCC(=O)N1CCC2(CC1)CN(CC1CCOCC1)C[C@H]2COC 585102914 IFDAMIKOIJWAQU-KRWDZBQOSA-N 354.491 1.246 0 40 FDAB O[C@H]1[C@H](NCc2cccs2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952845025 ZCTOJKAZMIDLGP-HSFUPAIVSA-N 357.435 1.913 0 40 FDAB biogenic,in-vitro Cc1ccsc1CCC(=O)N1CC(S(=O)(=O)c2nccn2C)C1 585322912 MFJGERGABODCSS-UHFFFAOYSA-N 353.469 1.407 0 40 FDAB O=C(O)[C@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 1615205693 JAZFOZYBIHJPRB-UWVGGRQHSA-N 366.171 1.836 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 5718805 DJQTYOPQIZTKNN-PASDCYSWSA-N 357.362 1.093 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 5885771 SUZHFRBRFMAXQZ-UHFFFAOYSA-N 359.407 1.713 0 40 FDAB COc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)c1 12113456 BTAWCYCWJSPRKR-QGZVFWFLSA-N 356.426 1.241 0 40 FDAB O=C(c1cscn1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142347 KTJJCNILSXHAGC-UHFFFAOYSA-N 364.452 1.479 0 40 FDAB CC1CCN(C(=O)CN2CCC(n3nnc4ccccc4c3=O)CC2)CC1 12145967 YSQVIPMDFKPHFO-UHFFFAOYSA-N 369.469 1.687 0 40 FDAB C[C@@H](C(=O)NCCCN(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13647289 MGKGOXRNVCVMFV-LBPRGKRZSA-N 361.895 1.562 0 40 FDAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C)CC3)C2=O)cc1 19372599 UVBAFAQVSYASCV-KRWDZBQOSA-N 373.453 1.523 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)NC1CCCC1 10256730 IVFFUJUATWXJAK-UHFFFAOYSA-N 351.472 1.265 0 40 FDAB CN([C@H]1CCN(c2ncncc2F)C1)S(=O)(=O)Cc1ccccc1 1888869744 CXUPUXSZZFERAH-AWEZNQCLSA-N 350.419 1.656 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(O)CSCCSC1 1888879085 YRBSNLJYLVLVSJ-UHFFFAOYSA-N 351.490 1.624 0 40 FDAB O=C(c1ccccc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888908410 JVJHMNWMFCYMHE-BETUJISGSA-N 352.373 1.472 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc(C)c3C)CC2)n1 1889089511 OWJQMBDKUFVRKV-UHFFFAOYSA-N 369.473 1.355 0 40 FDAB O=C(c1ncc[nH]c1=O)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776000789 KLFBCGDZOKRJBA-UHFFFAOYSA-N 369.425 1.759 0 40 FDAB CN(Cc1cncs1)[C@@H]1CCC[C@H](N2CCC(C(=O)O)CC2)[C@H]1O 2037795290 NHQYFIFZOMMDHI-PMPSAXMXSA-N 353.488 1.654 0 40 FDAB CCNC(=O)c1cc2c(CNC(=O)CC3(O)CCC3)nn(C)c2s1 1565554865 HRYQDVBOQZLDLN-UHFFFAOYSA-N 350.444 1.306 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2 1565542725 KZQRHXGWWRGQTI-GOSISDBHSA-N 365.499 1.473 0 40 FDAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)CN(C)C)CC2)c1 2055747826 XRPGAMGNGOOJRV-UHFFFAOYSA-N 362.474 1.118 0 40 FDAB O=C(NCC(F)(F)F)[C@@]1(n2ccnc2)CCCN(Cc2cccnc2)C1 2055772481 MUNMICQGKVQBJD-MRXNPFEDSA-N 367.375 1.948 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccnc2OC)CC1 2055708121 LLCJLUHKQKOTHE-UHFFFAOYSA-N 373.457 1.041 0 40 FDAB CCc1cnc2c(c1NCCc1ccccc1OC)c(=O)n(C)c(=O)n2C 22767728 BBKMYCXHCFYNCC-UHFFFAOYSA-N 368.437 1.858 0 40 FDAB COc1cc(N2CCN(C(=O)CCc3c(C)noc3C)CC2=O)ccn1 1775973772 OGZXKUQHTJWTTN-UHFFFAOYSA-N 358.398 1.503 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 225807163 PYLWBCNCBRKRLH-KQIUPUNMSA-N 369.377 1.907 0 40 FDAB Cn1cccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c1=O 575604951 IXOOYZIGCDFAEQ-HXUWFJFHSA-N 356.422 1.430 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)n(C(C)C)n1 2332241710 WSRMWFCEJHWUFJ-ARFHVFGLSA-N 350.463 1.707 0 40 FDAB Cc1ccc(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1 40151588 DPXKVEBLKAAXKN-INIZCTEOSA-N 353.488 1.998 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 40267062 WYMLSJXAKFCURZ-UHFFFAOYSA-N 363.377 1.301 0 40 FDAB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)c3ccc(F)cc3)[C@H]2C1=O 100890503 LFDVKZGTDCDSIB-ZBFHGGJFSA-N 367.336 1.534 0 40 FDAB CN(C)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 4859251 SKDYKVNVHMRTAG-UHFFFAOYSA-N 362.455 1.075 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C 6281308 IOBJWGKMADAVII-UHFFFAOYSA-N 359.444 1.640 0 40 FDAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1 6681444 NIPQARBCQNTDHD-UHFFFAOYSA-N 359.429 1.564 0 40 FDAB COC[C@@H](C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C 6800287 IHBCFEITBMLKBC-GFCCVEGCSA-N 351.428 1.009 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 102201979 GSDIQTDFMBFMIT-NXNVCVFFSA-N 372.421 1.557 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(Cc2nc3ccccc3o2)CC1 21398205 UOOQXCMEGNHSOF-UHFFFAOYSA-N 352.460 1.532 0 40 FDAB COc1ccccc1CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 665365 NCHFUISFWDFDGO-UHFFFAOYSA-N 366.414 1.917 0 40 FDAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC(=O)NCC(C)C 104371409 WORZHNVAFKKLCP-OQLLNIDSSA-N 361.398 1.189 0 40 FDAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1Cl 104278594 OSUSFIZPHWRPIE-AWEZNQCLSA-N 350.802 1.811 0 40 FDAB Cc1ccc(NC(=O)CN2CCCC2)cc1S(=O)(=O)N1CCOCC1 10051296 HFISEQVHOWPIMQ-UHFFFAOYSA-N 367.471 1.050 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccncc2)c2cc(Cl)ccc21 9060678 INQBDRMWOBTROA-HNNXBMFYSA-N 372.812 1.575 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1ccc(-n2cccn2)cc1 10222330 DUSWUXQUQDODGN-UHFFFAOYSA-N 373.416 1.941 0 40 FDAB CCOc1ncccc1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 58210615 LCRPWXMXVIAFTR-UHFFFAOYSA-N 354.410 1.910 0 40 FDAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCN(CC(N)=O)CC1 58223782 LHCILTOXJMMDNZ-GFCCVEGCSA-N 355.891 1.840 0 40 FDAB O=C1NCCCC[C@@H]1Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1 10879941 JSEIMGBRXSLGKT-KGLIPLIRSA-N 365.503 1.818 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(F)cc1 3355102 UBEPTTRYSZHDJG-LLVKDONJSA-N 361.398 1.569 0 40 FDAB CCOC(=O)c1cccnc1NCCCN1C(=O)NC2(CCCC2)C1=O 48314352 ZOVQRTMGNCFZDY-UHFFFAOYSA-N 360.414 1.925 0 40 FDAB CC(C)CCNC(=O)NC(=O)COC(=O)[C@H]1COc2ccccc2O1 3497612 TYAZYSLUOYQQTN-CQSZACIVSA-N 350.371 1.242 0 40 FDAB CCOC(=O)c1[nH]c(C[n+]2cccc(C(N)=O)c2)c(C(=O)OCC)c1C 13137630 JPSSEVHIBKWFDJ-UHFFFAOYSA-O 360.390 1.111 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 13719962 KAFMXYVCONMQPP-MRVPVSSYSA-N 359.333 1.515 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1 14075994 SBFQMJFFLBGJNA-UHFFFAOYSA-N 355.489 1.400 0 40 FDAB CC(C)[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)N1C[C@@H](C)O[C@H](C)C1 65512602 NWCVBPYBVOYILS-GYSYKLTISA-N 354.476 1.243 0 40 FDAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)N2CCCC2)ncn1 306130977 JTWKTPGDSRICGK-HNNXBMFYSA-N 374.489 1.333 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1F 6548607 RPJLGTXJKUOSFJ-UHFFFAOYSA-N 355.325 1.718 0 40 FDAB CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O 4724006 ASWKFHDBCQWNGX-UHFFFAOYSA-N 357.457 1.620 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2[C@@H]1C 8709833 BIBWLTJAABQEQO-LLVKDONJSA-N 370.388 1.471 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)Nc2cccnc2-n2cncn2)cc1 66669524 LRIXTPLTGJLOAF-UHFFFAOYSA-N 372.410 1.388 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(F)c(F)c1 4973694 NKGIMXOITYDZMW-UHFFFAOYSA-N 355.366 1.442 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 6939306 GSLNIBPATMZBHA-UHFFFAOYSA-N 363.439 1.836 0 40 FDAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc(S(N)(=O)=O)c1C 18465967 NMGRKAHIYWSHLR-NSHDSACASA-N 356.444 1.411 0 40 FDAB CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1 15842657 UMVUHSWOIIWHIP-ZDUSSCGKSA-N 350.440 1.871 0 40 FDAB C[C@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N(C)C 7504068 HPAAPKTWBRRTLA-NSHDSACASA-N 362.407 1.368 0 40 FDAB CC(C)[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)NC(N)=O 7791887 VWKIBGDQXBJDAL-CQSZACIVSA-N 373.365 1.908 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1OC 72284005 HNVIQZFQXRBMLU-HNAYVOBHSA-N 369.421 1.935 0 40 FDAB COC(=O)c1c(CC(=O)NC[C@@](C)(O)c2ccco2)[nH]c(C(C)=O)c1C 72306634 SSAUQDCZRPYQGB-GOSISDBHSA-N 362.382 1.472 0 40 FDAB O=C(NCc1nnc2n1CCC2)N1CC(OCCCOc2ccccc2)C1 79101298 SLEKWRXHEMEDNA-UHFFFAOYSA-N 371.441 1.604 0 40 FDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc21 79486565 ACQHZWDGWDYXIZ-UHFFFAOYSA-N 368.437 1.862 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1c[nH]c(=O)cc1C 75110490 HUVMSUHODHJHLY-UHFFFAOYSA-N 352.368 1.120 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1CN1CCCC1=O 26832548 DHCQYUYUQPSKSX-UHFFFAOYSA-N 363.439 1.892 0 40 FDAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)n1 306133298 MHTWFZCPZPJBGV-LSDHHAIUSA-N 366.469 1.568 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(CC(=O)N2CCCC2)cc1 33103591 IUKYPNFXUBHWDA-UHFFFAOYSA-N 357.410 1.329 0 40 FDAB COc1ccc(C(N)=O)cc1NC(=O)[C@H](Cc1ccccc1)n1cnnn1 524732982 IAHVJNFKKJJVIR-HNNXBMFYSA-N 366.381 1.203 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218098283 FQVVFNIRUDSZMG-RYRKJORJSA-N 362.403 1.698 0 40 FDAB O=C(c1c[nH]c2ccccc12)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 70811783 MLUAZWMMWNDKSC-UHFFFAOYSA-N 369.421 1.605 0 40 FDAB COc1cc(CNC(=O)N2CCN(C(=O)N(C)C)CC2)c2ccccc2n1 562294898 CDTOAICSLCWXCB-UHFFFAOYSA-N 371.441 1.752 0 40 FDAB CC(C)c1cc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ncn1 329558004 FFQDXSOULPUJRJ-UHFFFAOYSA-N 368.503 1.985 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)Nc2ccn(-c3ccccc3)n2)CC1 43621501 OKGZIMUHAUJZDN-UHFFFAOYSA-N 363.443 1.372 0 40 FDAB CCOc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)CC)s1 223573960 SBSOVJGYPQSZOE-UHFFFAOYSA-N 370.456 1.764 0 40 FDAB O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(C4CCOCC4)C3)N2C1 514288473 BBZLYBZQZIZCIO-LEWJYISDSA-N 371.525 1.213 0 40 FDAB biogenic,in-vitro c1ccc(CN2CCOC[C@@]3(C[C@H](CNc4cnccn4)CO3)C2)nc1 96078489 RMDNHENRBJIFNW-VQIMIIECSA-N 355.442 1.591 0 40 FDAB Cn1c(CCNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 96232488 FCOFYRYJZOZXLE-UHFFFAOYSA-N 365.372 1.661 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239962 ODPIRLSBNTUZFA-GOSISDBHSA-N 359.470 1.559 0 40 FDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccccc1)CCC2 96259347 XQFACJZCWMNSDU-UHFFFAOYSA-N 352.438 1.981 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(CC1CCOCC1)C2 96056975 JHGJDBLYCCRSOZ-MJGOQNOKSA-N 354.491 1.389 0 40 FDAB COC(=O)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)cn1 98212160 UWUJYZXJCWWBAU-UHFFFAOYSA-N 350.400 1.229 0 40 FDAB O=C([C@H]1CO[C@H]2CCN(c3ncc(F)cn3)C[C@H]2C1)N1CCCCO1 96042679 CHVDTTIVVRRZOC-NFAWXSAZSA-N 350.394 1.401 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106944 QOLKYGPKPYPGEU-INIZCTEOSA-N 356.426 1.796 0 40 FDAB CNC(=O)c1ncn2c1CN(CCC(C)C)S(=O)(=O)c1ccccc1-2 96147506 QMWPVUWJQOIKJP-UHFFFAOYSA-N 362.455 1.782 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3Cl)C2)CN1CC1CC1 247951839 MFCUSEAMCVUSNV-KRWDZBQOSA-N 363.889 1.751 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 247853242 BMRAUWVLJFTCFX-INIZCTEOSA-N 354.410 1.770 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2cccnc2)n(C)n1 248019455 HGRHCSAPEQERPC-KRWDZBQOSA-N 369.469 1.535 0 40 FDAB CC(=O)NCc1nccnc1C1CCN(C(=O)Cn2ccnc2C)CC1 257280034 OJELBNITQJOLFZ-UHFFFAOYSA-N 356.430 1.024 0 40 FDAB CCCn1cc(-c2nccnc2C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257299715 RRFDJUDIIYUKMN-CQSZACIVSA-N 363.487 1.964 0 40 FDAB Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc(C(F)F)nc2)cn1 594350222 ZZRMRRRGXADEMG-YEBMWUKDSA-N 354.382 1.699 0 40 FDAB O=C(O)c1cnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(Cl)c1 647453618 NWJPEVDWAOGPBO-UHFFFAOYSA-N 359.835 1.484 0 40 FDAB CCc1nc(CN2CCC[C@@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)no1 660644549 KZYSNNQDZMMJHK-ZIAGYGMSSA-N 365.478 1.711 0 40 FDAB C[C@H](O)[C@](C)(CNC(=O)c1cnnn1C1CCNCC1)Cc1ccccc1 662539878 NDYKVCPIWWUXFA-YWZLYKJASA-N 371.485 1.562 0 40 FDAB CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)C1 668292487 ICJCAKBIPGVRDY-MGPQQGTHSA-N 350.419 1.735 0 40 FDAB CCc1[nH]ccc1C(=O)N1CCC2(CC1)Cn1nc(C(=O)NC)cc1CO2 1775962753 CCSZRRDEGGSDFC-UHFFFAOYSA-N 371.441 1.338 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)n1cnnn1 604419606 HPGMQCJFVCEWRK-LZWOXQAQSA-N 368.445 1.709 0 40 FDAB O=C1COc2ccc(CN3CCCNC(=O)[C@H]3Cc3ccccc3)cc2N1 293692181 QUFPVPXSNZHIJZ-GOSISDBHSA-N 365.433 1.951 0 40 FDAB CSc1ccc([C@H](O)CNC(=O)C(=O)NCc2cccs2)cc1 96103252 ZYSCSGGVSURWSP-CQSZACIVSA-N 350.465 1.936 0 40 FDAB O=C(O)COc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 659757187 TYPRJBYZULZFNI-UHFFFAOYSA-N 356.382 1.293 0 40 FDAB COc1ccccc1-c1cnc2n1CCN(C(=O)CN1CCOCC1)CC2 585111649 ZCLWUBGHZRCWPV-UHFFFAOYSA-N 370.453 1.276 0 40 FDAB Cc1ccn(CCC(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)n1 585287869 GHWWQPMZHZOABV-NLWGTHIKSA-N 355.438 1.728 0 40 FDAB O=S(=O)(NC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)C1CC1 585111598 DKJXGCGQFLVFIC-INIZCTEOSA-N 364.446 1.661 0 40 FDAB O=C(CCc1cc(O)no1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585276220 LFAQMDBLNICNCB-QGZVFWFLSA-N 350.346 1.494 0 40 FDAB CN(CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)Cc1cccnc1 585280566 KOCJVVMUXBFPMN-WOJBJXKFSA-N 353.466 1.966 0 40 FDAB CCN(CC)c1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cn1 49409709 UWJQOEMAMGRNBX-UHFFFAOYSA-N 358.446 1.675 0 40 FDAB Cc1nc2sc3c(c2c2nn(CC(=O)NC4CC4)c(=O)n12)CC[C@H](C)C3 12184218 MIKTWTKDRIWJCH-VIFPVBQESA-N 371.466 1.818 0 40 FDAB COC(Cn1cc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C)OC 12408840 MDSICXXGCCENOC-UHFFFAOYSA-N 361.373 1.464 0 40 FDAB COc1ccc(CCNC(=O)Cn2cc(OC)c(=O)cc2C)cc1OC 12449763 NUWGSSPULQTQEX-UHFFFAOYSA-N 360.410 1.541 0 40 FDAB biogenic Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1 12597898 SUYYABSMJRUCKP-UHFFFAOYSA-N 364.405 1.487 0 40 FDAB Nc1nccnc1C(=O)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 12741819 NVFYWPJINYNJOJ-UHFFFAOYSA-N 371.426 1.128 0 40 FDAB O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ncccn1 13564822 LWCWQWZEOYGLNA-UHFFFAOYSA-N 355.379 1.459 0 40 FDAB CC(C)n1ncc2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cnc21 14070388 ADRONZWNOAKURL-UHFFFAOYSA-N 370.413 1.815 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 16313912 BMUCOHLIIXXEGZ-UHFFFAOYSA-N 356.334 1.399 0 40 FDAB Cn1c(C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cc(=O)n(C)c1=O 19288696 RUKOLCCJBCYYMG-AWEZNQCLSA-N 370.434 1.254 0 40 FDAB CCCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19502269 NLSVRLJJKZJMPT-HXUWFJFHSA-N 373.453 1.742 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C[C@H]2CCOC2)CC1 19523230 RLXUGOXHKIZMGN-MRXNPFEDSA-N 371.481 1.822 0 40 FDAB CCS(=O)(=O)N1CCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760505 WXRKMRBMBZECOR-AWEZNQCLSA-N 369.491 1.008 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)cc1 6235011 OXFBBXYTHYZJRS-UHFFFAOYSA-N 364.423 1.283 0 40 FDAB C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 6646024 UKRITCXKHZUBSA-CKQWILCBSA-N 373.384 1.952 0 40 FDAB CN(CC1CN(c2ncnc3cc(F)ccc23)C1)S(=O)(=O)C1CC1 1888866799 SCOFERFKEUTSGE-UHFFFAOYSA-N 350.419 1.629 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)nn12 1888890698 GWMJEKXVHWGDGT-UHFFFAOYSA-N 362.344 1.193 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4nc5ccc(F)cc5o4)CC3)c21 1888922005 FMWGPNMBNMHCMH-UHFFFAOYSA-N 353.361 1.970 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccnc3)CC2)n1 1889108795 QHVSBHOHZZGSCL-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CC(Cn2ccnc2)C1 1889186648 QGPUUDZUHROSJI-UHFFFAOYSA-N 356.245 1.966 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)on1 14560397 VBTXARNRJYZVOE-SNVBAGLBSA-N 356.338 1.332 0 40 FDAB CN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCC[C@H]4N)cc2)CC1 1122009520 RUJFYIQPYRCEDW-QGZVFWFLSA-N 368.485 1.676 0 40 FDAB CCc1cccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1 23350674 USFLXQYXMKIPKM-UHFFFAOYSA-N 359.455 1.934 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 29508972 CCSOQESIVBGIKA-CXAGYDPISA-N 369.421 1.379 0 40 FDAB Cn1cc(CN2CCC[C@]3(CCN(C(=O)CCc4cncnc4)C3)C2)cn1 1614933533 PDOXJBBCJAITFF-FQEVSTJZSA-N 368.485 1.657 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565544642 PGHDBFGPEASVIH-GRUVHVDGSA-N 358.438 1.497 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)[C@]1(C)CC=CCC1)C2 1565546477 CTTQEBIJVGVPDI-JLTOFOAXSA-N 374.485 1.862 0 40 FDAB CCOCCSc1nc(N)c(NC(=O)c2ccc(OC)cc2)c(=O)[nH]1 4248898 FFSUUUZAFTZBQQ-UHFFFAOYSA-N 364.427 1.742 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccc4c(c3)OCO4)cnc21 10250790 DNYFQEGMZHKOOM-UHFFFAOYSA-N 355.354 1.461 0 40 FDAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1 15884321 YELIGYXUDRFDOV-HNNXBMFYSA-N 370.409 1.099 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@H](c2ccccc2)C1 16847413 XJJHYQQPUMBTJZ-AWEZNQCLSA-N 366.464 1.627 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCc3c(COCC4CC4)cncc3C2)c1 2055782247 SYBLJVMJTXGWJJ-UHFFFAOYSA-N 362.455 1.489 0 40 FDAB CN([C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 2086886916 CSHUWFBJSQBNHZ-JTQLQIEISA-N 364.393 1.888 0 40 FDAB O=S(=O)(c1cccnc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225629149 HBEBWOYXHKLIQY-UHFFFAOYSA-N 371.422 1.498 0 40 FDAB CCN1CCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 19719391 OOQLGFSXKXFUNI-QGZVFWFLSA-N 374.510 1.709 0 40 FDAB COc1ccccc1-c1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)no1 30039093 LVZMAELNGYIXRC-MRXNPFEDSA-N 350.396 1.657 0 40 FDAB O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N(Cc1ccncc1)C1CC1)[C@H]1C=C[C@H]2C1 100769683 UMACUXPYOAAOES-USJZOSNVSA-N 351.406 1.380 0 40 FDAB COC(=O)c1c(SCC(=O)NCc2ccccc2F)nc(=O)[nH]c1C 31617820 SQZFERYEWROFPI-UHFFFAOYSA-N 365.386 1.413 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H]2CCOC2=O)ccc1F 11466851 HOMMYHVBVYWJOY-LBPRGKRZSA-N 359.375 1.329 0 40 FDAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1-n1cnnn1 1325514 UQRHUCJKUSNBND-WCQYABFASA-N 351.432 1.528 0 40 FDAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 20677913 LNVRBOWGWFUEND-LLVKDONJSA-N 366.361 1.643 0 40 FDAB O=S(=O)(c1ccc(NC(=S)N2CCOCC2)cc1)N1CCCCC1 6512107 LZWCLPQMBVJIEL-UHFFFAOYSA-N 369.512 1.890 0 40 FDAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 6845026 ACYULELVDJECEO-UHFFFAOYSA-N 371.393 1.787 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccncc1 6955871 GZMFJMYZVZLPNE-NSHDSACASA-N 353.831 1.718 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC2=NCCS2)C(C)C)c1 2661064 ZOWLWIJXWKUDAJ-AWEZNQCLSA-N 365.455 1.677 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ncc(-c2ccccc2)o1 32927290 TYUJOHLZBOGLDN-CQSZACIVSA-N 363.439 1.077 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 22038912 XJRUXJHETWSYNJ-CQSZACIVSA-N 359.378 1.974 0 40 FDAB C[C@@H]1CCCCN1CCNC(=O)Cc1csc(N2CCCC2=O)n1 46861142 FYOZWPNAKACCJG-CYBMUJFWSA-N 350.488 1.803 0 40 FDAB Cc1ccc(C)c(CS(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 42152955 APSQYUHATCRUEH-UHFFFAOYSA-N 352.456 1.939 0 40 FDAB O=C(CCC(=O)N1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1 54031388 OEIQBHMFXXRQMU-UHFFFAOYSA-N 374.359 1.839 0 40 FDAB COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1OC 1024694 RDTWLUJFJQLVMM-UHFFFAOYSA-N 353.378 1.913 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 23652668 UMCLPNTWHCQCQC-UHFFFAOYSA-N 373.409 1.912 0 40 FDAB 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Cc1ccnc2nc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)nn12 20818697 RXKNSBDVPUQYKG-GFCCVEGCSA-N 351.366 1.567 0 40 FDAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1nc(-c2ccccc2)cs1 4334267 CNQFDVXEYMKFKN-SNVBAGLBSA-N 372.406 1.946 0 40 FDAB COc1ccc(CCNc2c(NCc3ccncc3)c(=O)c2=O)cc1OC 101695423 UOIMLIIFVLCGMU-UHFFFAOYSA-N 367.405 1.962 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 6383881 HBJVQUJGNJBSFP-LLVKDONJSA-N 352.346 1.889 0 40 FDAB O=C1NCCCC[C@@H]1Sc1ccc(S(=O)(=O)N2CCCC2)cn1 32871734 NWAMODFCNCQDGL-ZDUSSCGKSA-N 355.485 1.627 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)NCCN2CCc3ccccc3C2)cc1 12141564 XZHNUCFCJZZPRQ-UHFFFAOYSA-N 360.435 1.721 0 40 FDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 25699358 WIVJXQBKUAQPBD-KSSFIOAISA-N 362.357 1.763 0 40 FDAB COc1cc2c(cc1OC)CN1C(Nc3nc(C)cc(C)n3)=NC(=O)[C@H]1C2 9482491 HUWRCUNUJGTRDU-CQSZACIVSA-N 367.409 1.846 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O 8040079 SUGFHKMHLOSUSN-CYBMUJFWSA-N 373.409 1.452 0 40 FDAB COc1cc(C(=O)N2CCN(C(=O)Nc3nncs3)CC2)ccc1C 47320910 IQVLNDQEOAHKAU-UHFFFAOYSA-N 361.427 1.845 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3Cc2cccnc2)n1 100146424 MAVNBPGZYFVILF-QZTJIDSGSA-N 354.454 1.895 0 40 FDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)N1CCc2ccccc2C1 23199714 YWYZFOUDMBRXNC-AWEZNQCLSA-N 354.410 1.429 0 40 FDAB NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 79111256 LWVWEXVBVPKMIE-NSHDSACASA-N 350.400 1.600 0 40 FDAB CS(=O)(=O)c1ccccc1S(=O)(=O)NCCc1ccccc1F 24051535 NZAWPDIXYNNMNQ-UHFFFAOYSA-N 357.428 1.750 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 102617057 NBHKZBUEPMJOOR-IYVPYFHTSA-N 373.792 1.873 0 40 FDAB CN(C)c1nc(N(C)C)n(S(=O)(=O)c2ccc(Cl)cc2Cl)n1 3104985 ZOENIZOEIOJERY-UHFFFAOYSA-N 364.258 1.954 0 40 FDAB c1coc([C@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)c1 20676322 QRPKTVKIUGAZQD-HNNXBMFYSA-N 361.369 1.100 0 40 FDAB NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2Cc3ccccc3O2)cc1 25263534 PNUCSKOFKIMABR-INIZCTEOSA-N 363.391 1.260 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O 35375557 GYAPDKXGGGAIHT-FMHMXRBNSA-N 355.438 1.789 0 40 FDAB Cc1cc(C)n(C[C@@H]2CN(C(=O)CCn3c(C)csc3=O)CCO2)n1 110903616 LBJPXWHMVYUZFA-HNNXBMFYSA-N 364.471 1.349 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21 58184801 RKSAACQWHMFBME-DZKIICNBSA-N 372.469 1.835 0 40 FDAB O=C(CN1CSCC1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58209807 XMODNFJZXUUBIG-NSHDSACASA-N 355.410 1.440 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1 10547768 MQUAWIBSJCNZCE-UHFFFAOYSA-N 364.452 1.626 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 36390056 QRCBPLQLRWJTRF-CQSZACIVSA-N 371.478 1.293 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCN1CCSC1=O 12893389 BUWFKIYJDGAGSG-UHFFFAOYSA-N 367.446 1.849 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1F 8246670 LXOWINOLVJFTDY-UHFFFAOYSA-N 369.396 1.999 0 40 FDAB Cc1ccc2c(COC(=O)CCN3C(=O)CCC3=O)cc(=O)oc2c1C 12957539 SEBSBFAXTCYLRF-UHFFFAOYSA-N 357.362 1.992 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 13135460 POSRWIXJLINBHA-CHWSQXEVSA-N 358.394 1.942 0 40 FDAB Cc1ccc(C(=O)NCC(=O)Nc2ccnn2C[C@H]2CCOC2)cc1C 63865257 VBRFOGNFULEPLC-OAHLLOKOSA-N 356.426 1.905 0 40 FDAB O=C([C@H]1CN(C(=O)/C=C/c2ccco2)c2ccccc2O1)N1CCOCC1 8389724 YLCSZYIXQSAIQL-LKGOPFMKSA-N 368.389 1.946 0 40 FDAB COCCNC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 6267493 HGTVRQSWMREQLF-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB CCOC(=O)NCCC(=O)Nc1n[nH]c(-c2ccc(OC)cc2OC)n1 65585692 WBQMFYGKBATHSQ-UHFFFAOYSA-N 363.374 1.564 0 40 FDAB COc1ccc2nc(COC(=O)c3cccnc3)c(C(C)=O)[n+]([O-])c2c1 5477606 KPVGZCWHJJCGEK-UHFFFAOYSA-N 353.334 1.831 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1 4703508 CYEAYXHRHKYORT-UHFFFAOYSA-N 361.423 1.353 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc3ccccc3[nH]1)C2 306124742 BYAIDNGWRBAKPV-CQSZACIVSA-N 362.451 1.834 0 40 FDAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 4844385 AXCRNWLUWGWNQH-XPTSAGLGSA-N 356.165 1.374 0 40 FDAB CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Br)cc1 22273344 FYCUHVDSMGCWOT-UHFFFAOYSA-N 361.261 1.838 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3ccccc3)cc2N1 4965252 XVYOOYUBCNYDBX-UHFFFAOYSA-N 368.345 1.173 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 4995906 ARQFAHROXXXLTA-LJQANCHMSA-N 371.393 1.477 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(N)=O 7044240 RGJIYPBWNJBNKF-LBPRGKRZSA-N 353.378 1.928 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](CNC(C)=O)C2)CC1=O 67365369 DCSFTWLXWABUIR-FUHWJXTLSA-N 371.481 1.977 0 40 FDAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCCC[C@H]12 8744331 CIGFYRKJIWKRFM-HNAYVOBHSA-N 355.463 1.994 0 40 FDAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cc(C)on2)c2ccccc2O1 7274959 QXTWLXMRSWXVMJ-HNNXBMFYSA-N 358.398 1.715 0 40 FDAB O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccccc1 18285394 XWKOLDVZHIOZJS-KRWDZBQOSA-N 351.406 1.846 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nc(-c2cccs2)oc1=O 23004035 WVHBMRKZJWLTPB-UHFFFAOYSA-N 373.390 1.952 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)NC1CC1 7702810 YANAPRVSHXDKEZ-UHFFFAOYSA-N 361.261 1.657 0 40 FDAB C[C@H](O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 95410182 RPJGYZMMNONNEO-LBPRGKRZSA-N 374.890 1.967 0 40 FDAB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)C2CC2)c1 95970309 JAENKNFZWUWULB-CQSZACIVSA-N 352.412 1.134 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1ccccc1F 178782189 LQBLTPVBENSDDQ-UHFFFAOYSA-N 366.414 1.787 0 40 FDAB COc1ncccc1CN1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306128704 HIRFCCJVLODCPM-HNNXBMFYSA-N 365.441 1.821 0 40 FDAB COCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833062 PTMBTOKNOXCBST-ZDUSSCGKSA-N 362.835 1.020 0 40 FDAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(CC(F)F)C3)ccc2c1=O 520544666 ZODXTFCUOVIEIA-LLVKDONJSA-N 366.368 1.191 0 40 FDAB CN(C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 78762003 LZPLUNWUCZXQRZ-HNNXBMFYSA-N 353.488 1.155 0 40 FDAB CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 33026247 UCFUXVGLOCTSDW-UHFFFAOYSA-N 361.261 1.935 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35375357 WCACKGRRMHUVCR-CFEDGUPZSA-N 355.438 1.844 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCCN3C(=O)C3CCCC3)nc2n(C)c1=O 72374602 FIZDIHYNVQGPRP-MRXNPFEDSA-N 370.453 1.876 0 40 FDAB COC[C@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218196406 FGCLEQCOCZDXJJ-GMXVVIOVSA-N 363.229 1.677 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218355898 CQLLHGXSRBIUBY-KBPBESRZSA-N 372.414 1.839 0 40 FDAB N=C(/N=C(\O)OCC1c2ccccc2-c2ccccc21)NC[C@H](N)C(=O)O 71245274 NKTVJMCOCXOHFQ-INIZCTEOSA-N 368.393 1.666 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(C)no3)CC2)cc1 40156408 CLUDZGOEHTWLBP-UHFFFAOYSA-N 364.427 1.905 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](Oc2cnccn2)C1 225477898 DFJVYTNPADJQEB-CQSZACIVSA-N 361.423 1.644 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(OC)cc1 41097876 VPJGZDBIUDOXKS-OAHLLOKOSA-N 350.415 1.519 0 40 FDAB O=C(NC[C@]1(O)CCOc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 77100008 RALIITYKFNJVOC-LJQANCHMSA-N 370.361 1.140 0 40 FDAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)c1 96253017 FWHAMLZDKPNHQN-IXDOHACOSA-N 359.426 1.843 0 40 FDAB CN(C)CCO[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN2C1 96183172 FNWGVZYKKHABMS-DLBZAZTESA-N 351.878 1.817 0 40 FDAB CCCS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 96181634 CHRXGOIZFJPDJB-UHFFFAOYSA-N 350.440 1.346 0 40 FDAB C[C@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95480645 DSFXGNTVSZYBOO-CQSZACIVSA-N 363.421 1.823 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NCCCn2ccnc2)[C@@H]1c1ccc(F)cc1 96181795 BRWSHDWQBOJJBG-IRXDYDNUSA-N 360.389 1.127 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccncc1)C2 96050200 PAYACTOCOWQZCO-HXUWFJFHSA-N 365.437 1.316 0 40 FDAB COc1ccc(CN2CCN(C(=O)NC(C)C)C[C@]3(CNC(=O)C3)C2)cc1 97952723 PGQXVVVIEAHBFT-HXUWFJFHSA-N 374.485 1.437 0 40 FDAB COC[C@H]1CN(C)CC12CCN(C(=O)c1cccc3c1OCCO3)CC2 248147588 SGLLRFJHKOMIJD-OAHLLOKOSA-N 360.454 1.888 0 40 FDAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cnn(C)c1)C2 248103683 FMVGTXCEQVEBIR-HNNXBMFYSA-N 355.442 1.431 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248288284 HRTAGXZCVMIAKW-RXIQLXCPSA-N 372.421 1.621 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)CCc3cnn(C)c3C)C2)ncn1 257285550 PHRSMSZQESFDLS-MRXNPFEDSA-N 357.458 1.477 0 40 FDAB COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)nc2)CC1 269423695 SYYRWZBTLGNXIE-UHFFFAOYSA-N 369.487 1.329 0 40 FDAB Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c2c(C)nn(C)c2n1 262808451 NUKRRAPNESHSJN-UHFFFAOYSA-N 356.386 1.854 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)CCOc2ccc(Cl)cc2)C1 644044796 SMDLYNSFADHCOS-QGZVFWFLSA-N 354.834 1.599 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1c[nH]nc1-c1ccccc1F)N(C)C2 644452940 UACNVSOEWKBJGY-CQSZACIVSA-N 355.377 1.568 0 40 FDAB O=C(O)c1cccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 635525115 RADWAPJVPVVARX-UHFFFAOYSA-N 361.442 1.639 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 96025648 DOLJMYYEOUSXSM-UHFFFAOYSA-N 364.427 1.302 0 40 FDAB CCCS(=O)(=O)N1CCn2cc(CC(=O)N3CCCCC3)nc2[C@@H]1C 585097940 PNUVGSWHPOJIHB-AWEZNQCLSA-N 368.503 1.555 0 40 FDAB Cc1ncoc1C(=O)N1CCn2c(COc3cccnc3)nnc2[C@H]1C 585098142 UVEKBXOIWMIZPN-GFCCVEGCSA-N 354.370 1.766 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCc2cnn(C)c2)CCO1 585277190 KWLJOPCWSHLGOJ-HXUWFJFHSA-N 357.454 1.494 0 40 FDAB O=c1[nH]c(N2CCOCC2)nc2c1CN(Cc1ccccc1Cl)CC2 12145344 IGHBIMGVAPHDMD-UHFFFAOYSA-N 360.845 1.818 0 40 FDAB Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 13569878 WRAUBVMZZKXHBV-QMMMGPOBSA-N 366.303 1.724 0 40 FDAB Cn1c(=O)n(CCC(=O)Nc2cccc(-n3cnnn3)c2)c2ccccc21 14778405 VRVOKLQZRGUQAI-UHFFFAOYSA-N 363.381 1.345 0 40 FDAB CNc1snc(C)c1C(=O)OCC(=O)c1ccc(S(C)(=O)=O)cc1 16553196 CNHVCRKQCCEBIB-UHFFFAOYSA-N 368.436 1.936 0 40 FDAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccc(F)cc1)CC2 19334483 QAXJQBKHEPAPNQ-UHFFFAOYSA-N 351.385 1.967 0 40 FDAB CCc1nc(-c2cncnc2[C@H]2CN(CC(=O)N3CCCC3)CCO2)no1 19693697 JKSYPIFMYCVCFO-CQSZACIVSA-N 372.429 1.085 0 40 FDAB NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 2561192 HAXZMQQYSRGDTM-INIZCTEOSA-N 355.394 1.126 0 40 FDAB O=C(NC1CN(c2cnccn2)C1)c1ccc(Br)cc1F 1888854196 HPRPGUMTRYIVHD-UHFFFAOYSA-N 351.179 1.997 0 40 FDAB Cn1ncc2c(N3CC[C@@H](COc4ccc(C5CC5)nn4)C3)ncnc21 1888881945 WGGKYFFELLFZHR-GFCCVEGCSA-N 351.414 1.936 0 40 FDAB Cc1cc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)nc(N(C)C)n1 1889138963 RXYWTLMZEMEKJG-UHFFFAOYSA-N 367.461 1.232 0 40 FDAB O=C(N1CCCC1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225375 OZJSFCHULDKANQ-KDOFPFPSSA-N 362.451 1.397 0 40 FDAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 9570864 RPXLDNJDZAEEFJ-UHFFFAOYSA-N 359.292 1.599 0 40 FDAB CCc1ccc(C(=O)N2CCC(N=c3ccn(C)[nH]3)(C(=O)NC)CC2)cc1 2055746173 UYAXLRXOJBRLRB-UHFFFAOYSA-N 369.469 1.237 0 40 FDAB CCC(CC)NC(=O)c1[nH]nc2c1COC[C@]21CCN(C(=O)CCF)C1 2055793361 TYAQKTQATFVYSJ-GOSISDBHSA-N 366.437 1.688 0 40 FDAB CCn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1 2055719481 OTLZVWOMHNHBQO-BRWVUGGUSA-N 370.457 1.559 0 40 FDAB CSc1nc(C)c(C)c(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)n1 2086856803 OGHYAGOTZPBZNP-OAHLLOKOSA-N 363.531 1.947 0 40 FDAB COC(=O)c1nnn(CC(=O)c2c(C)n(C)c3ccccc23)c1C(=O)OC 583648305 QZUQQBJXMUKGJQ-UHFFFAOYSA-N 370.365 1.534 0 40 FDAB C[C@@H](C(=O)NCC1CCC(C(=O)O)CC1)n1nnc2ccccc2c1=O 2328310 ATCDLPFBFFTSRV-HIFPTAJRSA-N 358.398 1.360 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CCc2ncncc2C1 96122867 YXTRNWDAOPCOCU-UHFFFAOYSA-N 354.229 1.986 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCn2c1nc1ccccc12 102922769 CZGQAKJNXZXCAE-BETUJISGSA-N 352.394 1.558 0 40 FDAB O=S(=O)(CCCO)Cc1cc2c(cc1Br)OCCO2 40127601 QUHLAOLAPRBOHH-UHFFFAOYSA-N 351.218 1.518 0 40 FDAB C/C(NCCN1CCCCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20334926 AVMJTHYXGQAEFM-BMRADRMJSA-N 370.453 1.615 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1cccnc1 31817368 XFZZQQDBXRHYOZ-HOCLYGCPSA-N 366.421 1.256 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3O[C@@H](CO)C[C@@H]3O)c2n1 1680169 ZSKZMXNNWSHOOQ-WQGACYEGSA-N 373.438 1.342 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2620698 XXWHIZGNWRYVKP-CQSZACIVSA-N 353.396 1.334 0 40 FDAB COc1cc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)cc(OC)c1 2652637 STPPXTBOKGZYJF-UHFFFAOYSA-N 373.365 1.990 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2)no1 101668412 SFUOSYPGBROQOM-SDDRHHMPSA-N 357.370 1.489 0 40 FDAB C[C@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)C(=O)NC(N)=O 6124881 VHKFCZFBMTXVGC-DTWKUNHWSA-N 371.390 1.013 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)on1 32831238 HTGNQFKJMSJLCF-UHFFFAOYSA-N 352.394 1.783 0 40 FDAB Cc1cc(NC(=O)CSc2nc(N)nc(N)n2)n(-c2ccccc2C)n1 32858160 HNTMUWSZPYIMDS-UHFFFAOYSA-N 370.442 1.569 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1sccc1C(N)=O 41624461 ARFRAPPFKPWCLY-WXHSDQCUSA-N 365.455 1.592 0 40 FDAB O=C(CCC(=O)N1CCOCC1)Nc1cc2c(cc1Cl)OCCO2 53778211 HZRVKVVKBGLCOQ-UHFFFAOYSA-N 354.790 1.689 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)OC)cc1 827453 VMSXCQSWPKTKKS-OAHLLOKOSA-N 364.423 1.594 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2sc3nc[nH]c(=O)c3c2C)CC1 61718921 GTDXSWSPLFDSTL-UHFFFAOYSA-N 350.400 1.207 0 40 FDAB Cn1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc21 22234194 IVFRUKAVHIPKOY-UHFFFAOYSA-N 357.391 1.438 0 40 FDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nncs1 44892896 PNGHXIVVXKHMPB-UHFFFAOYSA-N 360.443 1.004 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 58202831 MEAVJFDBSBJNIU-INIZCTEOSA-N 374.418 1.335 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1c(Cl)nc2sccn12 58343921 RUTUPYCBGQZBBW-UHFFFAOYSA-N 364.880 1.050 0 40 FDAB CC(=O)c1sc(NC(=O)COc2ccc(-n3cnnn3)cc2)nc1C 27912897 JHBJNYHXAXIFJZ-UHFFFAOYSA-N 358.383 1.647 0 40 FDAB CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)n2c(=O)oc3ccccc32)CC1 58950077 FOCZTQPDLCSXNT-CYBMUJFWSA-N 359.426 1.919 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 48368511 WKRKCDYBOXPBSJ-AWEZNQCLSA-N 372.512 1.339 0 40 FDAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C1=COCCO1 3531030 FMELHVGFSGWNNT-UHFFFAOYSA-N 369.395 1.857 0 40 FDAB C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1 24682600 ZLCOAEGFTKDWBY-LLVKDONJSA-N 352.378 1.704 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H](C(=O)O)C3)ccc21 13260706 OPFKPNONKPFMOA-AWEZNQCLSA-N 366.439 1.336 0 40 FDAB O=C([C@@H](Cc1ccccc1)NC[C@@H]1CNc2ccnn2C1)N1CCCC1 69516411 FBEZBPWHNFVKKA-QZTJIDSGSA-N 353.470 1.748 0 40 FDAB CN1C(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C(=O)C12CCCCC2 6005874 FOSNCLPFJJSSSA-UHFFFAOYSA-N 370.409 1.569 0 40 FDAB Cc1ccc(N2C(=O)C[C@@H](NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 70461115 URBQMPXUNUURSF-MRXNPFEDSA-N 373.434 1.418 0 40 FDAB CN(C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 5240293 LLWONWPDVDGSRZ-AWEZNQCLSA-N 356.378 1.834 0 40 FDAB Cn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccc(F)cc1 13956543 HAMZITWDZSKNLR-UHFFFAOYSA-N 351.432 1.932 0 40 FDAB COc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)c(OC)c1 18063728 LBYBLTUUWUDSSP-AWEZNQCLSA-N 362.382 1.132 0 40 FDAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cnc2n(c1=O)CCS2 14137557 XXLIJEHBDDORBL-UHFFFAOYSA-N 370.478 1.875 0 40 FDAB CCc1ccccc1NC(=O)CN(C)C(=O)COc1ccccc1C(N)=O 4562682 IQDDMNNADATDKY-UHFFFAOYSA-N 369.421 1.824 0 40 FDAB Cc1cccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)c1 6547849 UKQSLPQGWYLPAT-UHFFFAOYSA-N 351.362 1.887 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 5871184 GNCMFQBAIYDRJG-ZIAGYGMSSA-N 357.410 1.482 0 40 FDAB C[C@H](C(=O)NCC1CCC(C(=O)O)CC1)n1c(=O)[nH]c2ccccc2c1=O 6908530 ZJZFKKOAYTYNQF-PNESKVBLSA-N 373.409 1.258 0 40 FDAB C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 15341406 YLHGJEZQDFHTHD-STQMWFEESA-N 372.512 1.785 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 80762647 ZLAGSCIVLDAJIF-QGZVFWFLSA-N 357.495 1.684 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@@H]2CC=CCC2)C1=O 7782671 IACBUIAZYVJKQZ-YJYMSZOUSA-N 371.393 1.384 0 40 FDAB C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 89941524 AFRHYQFLBFBDKY-KSSFIOAISA-N 351.406 1.931 0 40 FDAB O=S(=O)(CC[C@H]1CCCO1)NCCc1nc(-c2ccccc2)n[nH]1 97104272 WXHPTBMTXBPIQZ-CQSZACIVSA-N 350.444 1.503 0 40 FDAB COC[C@](C)(CC(=O)O)NC(=O)c1nc(C)n(-c2ccccc2Cl)n1 95989833 DIPLDCMYTOWVNR-INIZCTEOSA-N 366.805 1.839 0 40 FDAB CCc1n[nH]c(S(=O)(=O)[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)n1 86170280 HQDIVGMOZDEZMN-VXGBXAGGSA-N 350.444 1.449 0 40 FDAB CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 75105808 JPGRWQYIRYDQQF-SFHVURJKSA-N 364.446 1.025 0 40 FDAB CC(C)CC(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C 408531713 LGYMOACQCDPLST-UHFFFAOYSA-N 359.474 1.613 0 40 FDAB Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306131983 KUUGXEZCWBUCHC-CYBMUJFWSA-N 353.386 1.354 0 40 FDAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccc2c(c1)NC(=O)CO2 524734910 IMCUFGOUFKNCLJ-CYBMUJFWSA-N 370.394 1.684 0 40 FDAB O=C(CCCn1cccc1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 524735584 LRSGRFVXYWXPSQ-UHFFFAOYSA-N 368.503 1.143 0 40 FDAB COc1ccc(-c2cs/c(=N\C(=O)CN3CCN(C(C)=O)CC3)[nH]2)cc1 38249762 UCBGPIVRFSWWLS-UHFFFAOYSA-N 374.466 1.343 0 40 FDAB COc1ccc(C(=O)COc2coc(CN3CCOCC3)cc2=O)cc1 72401573 MOYYKOKOAXVQHM-UHFFFAOYSA-N 359.378 1.742 0 40 FDAB COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 216273196 OHDVOHFNHUHPKS-OAHLLOKOSA-N 369.487 1.172 0 40 FDAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cccn2C)cc1 75155098 RWWWSJWFHYTWKU-KRWDZBQOSA-N 364.467 1.600 0 40 FDAB O=C(O)c1coc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 566295070 NBSDXBWYNRZTSJ-OAHLLOKOSA-N 371.441 1.806 0 40 FDAB Cc1cc(Br)c(O)c(C(=O)NCCC(=O)N2CCOCC2)c1 40151819 TZSJGOBTSGWFCW-UHFFFAOYSA-N 371.231 1.442 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1OC 224189968 CACXIZARBLQTFD-UHFFFAOYSA-N 366.443 1.347 0 40 FDAB CCOC(=O)[C@]1(NC(C)=O)Cc2cc(Br)ccc2NC1=O 96345838 IHKPZUMZSCFUNY-AWEZNQCLSA-N 355.188 1.382 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3C[C@@H](COCC4CC4)C[C@@H]32)c1 96250511 LSVIFCPRSOMAQS-SOUVJXGZSA-N 355.460 1.015 0 40 FDAB O=S1(=O)CC[C@H](n2nc(C3CCOCC3)nc2Cc2cscn2)C1 96148433 OLEIWMPMDZJWHC-ZDUSSCGKSA-N 368.484 1.579 0 40 FDAB CN(C)CCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 96249599 CILRYEKXQXWKBX-WOJBJXKFSA-N 359.514 1.730 0 40 FDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96230184 VMMVCNUMRVGTTI-UHFFFAOYSA-N 373.453 1.478 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccncc2)no1 247889294 FLEOFRWHCXYZEV-MRXNPFEDSA-N 356.426 1.789 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 257280896 OMVRBUXBWNKPMS-ROUUACIJSA-N 358.438 1.264 0 40 FDAB CC(C)COc1ncccc1C(=O)N1CCN(CC(F)(F)F)C(=O)C1 585082606 PHEULEAFSHXHNM-UHFFFAOYSA-N 359.348 1.963 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(CCOc2ccc(F)cc2)C1 257327566 XBVSOFTYNUSUEA-GFCCVEGCSA-N 353.419 1.821 0 40 FDAB CC(=O)Nc1cc(C(=O)NCc2ccnc([C@@]3(C)CCCO3)n2)ccn1 257236029 HANQPGUTIQIKGK-GOSISDBHSA-N 355.398 1.786 0 40 FDAB CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@H](CO)C1 257245203 IOMWHPZUOCISBW-HNNXBMFYSA-N 372.421 1.917 0 40 FDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(C)[C@@H](C(=O)N(C)C)C1 257328867 XHKQNTXBFVZRCM-GFCCVEGCSA-N 358.364 1.253 0 40 FDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H]1c1ccc(O)nn1 530076900 UEESPXFWEDFYME-INIZCTEOSA-N 350.382 1.669 0 40 FDAB COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 611583309 FWHLRCOLOKWSFK-INIZCTEOSA-N 363.439 1.979 0 40 FDAB O=S(=O)(c1cncc(F)c1)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 644867527 URWUYPCLHFYQCO-BETUJISGSA-N 372.324 1.712 0 40 FDAB Cn1cnc(N2CC[C@@H](Oc3ccncc3Br)C2)cc1=O 1776008531 JSZBDDAMAURJSS-SNVBAGLBSA-N 351.204 1.596 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cccc(-n2ccnc2)c1 604300438 CHYPIHFGFVIXIZ-UHFFFAOYSA-N 359.393 1.707 0 40 FDAB CN1OC2(CC1=O)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 1549161438 HJRWUXSJSPYRKQ-UHFFFAOYSA-N 350.318 1.242 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(O)nc(N4CCOCC4)n3)C2)o1 12367255 KXLHBXMUPQTWNQ-CYBMUJFWSA-N 373.413 1.253 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1OC 13679166 NRFGNRXZAIMIQJ-UHFFFAOYSA-N 358.460 1.538 0 40 FDAB COCCn1c(C)cc2cc(NC(=O)CN3C(=O)NC(C)(C)C3=O)ccc21 19126280 HTVQZZPQZCRSPX-UHFFFAOYSA-N 372.425 1.865 0 40 FDAB O[C@@H](CN1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCCO2 19403908 DHMBOKXOTMMXRK-INIZCTEOSA-N 356.426 1.494 0 40 FDAB CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCNc3ccccn3)cc2C1 19749647 HFFCJMYNDJJYHD-INIZCTEOSA-N 374.466 1.075 0 40 FDAB CN1C(=O)C[C@@H](CNS(=O)(=O)CC2CCCC2)[C@@H]1c1nccn1C 582256714 RRASHGAGPQQUMH-DZGCQCFKSA-N 354.476 1.049 0 40 FDAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 252478105 ADSFXXCFSSJCNE-AWEZNQCLSA-N 365.430 1.894 0 40 FDAB Cc1nc(CN2CCN(C(=O)c3ncn(C)n3)Cc3cccnc32)cs1 1565549086 PMQMKJXDHUVRIF-UHFFFAOYSA-N 369.454 1.638 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 1425466 TZSYYZXIMCUISF-UHFFFAOYSA-N 355.329 1.905 0 40 FDAB Cc1cccc(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)c1 4912541 GNGGZLPXJYJZDV-UHFFFAOYSA-N 351.410 1.660 0 40 FDAB COc1ccc(OC)c(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 4945151 NYDKBWIIHAMEMK-SNVBAGLBSA-N 371.397 1.228 0 40 FDAB COCCCN[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 4939815 JGKMPMAIEYJDQG-LBPRGKRZSA-N 359.220 1.857 0 40 FDAB COC(=O)c1ccc(C(=O)NCCn2ccc(-c3cnccn3)n2)cc1 244955829 GBNUNFPIOPBBEC-UHFFFAOYSA-N 351.366 1.557 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10254198 LYMIETVXWCNKMR-UHFFFAOYSA-N 367.361 1.795 0 40 FDAB COc1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc(OC)c1C 40090089 TUVUDQBNFPLWTL-ZDUSSCGKSA-N 370.471 1.414 0 40 FDAB O=C(CN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1=O)N1CCCC1 100250723 BHMMXVLPFJSNJD-UGSOOPFHSA-N 351.406 1.805 0 40 FDAB biogenic COc1ccc(C(=O)COC2=C(O)C(=O)O[C@H]2[C@H]2COC(C)(C)O2)cc1 20445736 UDWAYAMTSKEKEI-HIFRSBDPSA-N 364.350 1.741 0 40 FDAB O=C(NCCN1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1 20684706 BBDPKDCDSQRFRW-UHFFFAOYSA-N 358.442 1.493 0 40 FDAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 20714399 VAJWKXNYZDFVBY-CYBMUJFWSA-N 371.393 1.187 0 40 FDAB Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044099 MPMGYYYSXBITBB-UGIWWLGZSA-N 353.374 1.826 0 40 FDAB CNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4160476 NIRXACPIPNDCLO-UHFFFAOYSA-N 362.455 1.125 0 40 FDAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCOCC1 6679452 MPINCTDCDIBPSW-UHFFFAOYSA-N 371.418 1.073 0 40 FDAB COc1ccc(-c2nnc(O)c3c2[C@H](c2cccnc2)n2nnnc2N3)cc1 10295652 LKPWXNWDKSQCBC-INIZCTEOSA-N 374.364 1.934 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)NC[C@@H]1CCCO1 9741331 LLNRHMVELMZDEB-YWZLYKJASA-N 371.437 1.455 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCCc3c(F)cc(F)cc32)CC1 41866526 VDSWLPWDSQGROZ-UHFFFAOYSA-N 358.410 1.916 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 23389655 RPMCQXIEQZEQAH-UHFFFAOYSA-N 352.437 1.476 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24610958 NHCZNYIZTBUBBX-UHFFFAOYSA-N 368.499 1.690 0 40 FDAB Cc1cnc(NC(=O)CN2C[C@@H]3CCC[C@@H](C2)C3N2CCOCC2)s1 100214071 GSJGFJLCLYBHQC-GJZGRUSLSA-N 364.515 1.823 0 40 FDAB CCN1C[C@H](C(=O)O)C(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 35565090 YZGAZHWDQGGMJN-KOLCDFICSA-N 353.369 1.486 0 40 FDAB CN(CCc1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 58216285 ZNWPZQMCESUESB-UHFFFAOYSA-N 356.451 1.908 0 40 FDAB CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2112725 TWMYLEWXZNZDAE-NSHDSACASA-N 353.758 1.982 0 40 FDAB biogenic CCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O 36383538 UQOOJIZRRMHMDH-KXBFYZLASA-N 357.410 1.313 0 40 FDAB CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 36389895 NEXBPPGIPXZWES-UHFFFAOYSA-N 371.478 1.437 0 40 FDAB CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 48310577 XXECQTPQJBDTJX-AWEZNQCLSA-N 367.471 1.572 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)C1 3585998 HTFIOTDNXVFDPB-STQMWFEESA-N 357.410 1.595 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@](C)(C3CC3)C1=O)CC2 12936553 HQZCILOCSOGFAB-LJQANCHMSA-N 359.426 1.740 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 5091447 FXKOEGOMRUZZAP-QGZVFWFLSA-N 358.354 1.612 0 40 FDAB O=C(COc1ccc(I)cc1)NC[C@@H]1CCCO1 8911304 LQPYIPNEUJQWSM-LBPRGKRZSA-N 361.179 1.965 0 40 FDAB COc1ccccc1CCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14159574 RBKTWLLBPIWOQX-UHFFFAOYSA-N 367.405 1.447 0 40 FDAB CSC[C@@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 6639087 UYBLYALZQQEXGW-MJBXVCDLSA-N 350.440 1.803 0 40 FDAB CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 9114745 ZBFBMMKXLKLYJP-KGLIPLIRSA-N 355.456 1.807 0 40 FDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835127 XIGYCLVMXOYEJP-CYBMUJFWSA-N 362.382 1.282 0 40 FDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc2c(c1)OCO2 7124524 DBJSVQKDSDANHV-UHFFFAOYSA-N 373.409 1.676 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccncc3)cc2)C1=O 15842722 PWOZWDAIRRDYGO-GFCCVEGCSA-N 359.407 1.324 0 40 FDAB Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 7986863 JLEFQYGLJABJBT-UHFFFAOYSA-N 352.387 1.874 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)CC1 17170188 JAHJTHMQDKOAFB-AWEZNQCLSA-N 374.437 1.992 0 40 FDAB C[C@@]1(NC(=O)CSc2nnc(C3CCCCC3)o2)CCS(=O)(=O)C1 8428433 AKTHLBGAMOFZTB-OAHLLOKOSA-N 373.500 1.903 0 40 FDAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1cccc(S(N)(=O)=O)c1 9836573 ZTMKJWAOYJQLQU-SNVBAGLBSA-N 364.379 1.224 0 40 FDAB CC(C)[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N1CCN(C)CC1 72286024 JCBBMFPSYJKOFU-HUUCEWRRSA-N 350.463 1.528 0 40 FDAB COc1ccc(CCNC(=N)NCC(=O)NCCc2ccccc2)cc1 72235878 AYBNLFVSUYCAQE-UHFFFAOYSA-N 354.454 1.711 0 40 FDAB COc1cc2nc(C)n(CC(=O)NCCc3ccco3)c(=O)c2cc1OC 72325123 MUWGEEPDPOHQSS-UHFFFAOYSA-N 371.393 1.674 0 40 FDAB biogenic CCOc1cc(CNC[C@H](C)O)ccc1OCC(=O)N1CCCCC1 72659420 VJKORJYGYXPABK-HNNXBMFYSA-N 350.459 1.947 0 40 FDAB CCOC(=O)c1cn(C)nc1NS(=O)(=O)c1cccc(C(=O)CC)c1 95466281 ISPYARTZNUIIBM-UHFFFAOYSA-N 365.411 1.990 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 89289579 BHUNKHPXOWPIOG-UHFFFAOYSA-N 368.437 1.334 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 21630964 XOXLQEHHCZVWNQ-UHFFFAOYSA-N 367.449 1.775 0 40 FDAB CCOc1ncccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 555567916 AOSWTICBCOLYKO-ZBFHGGJFSA-N 357.414 1.446 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)CCNC(=O)c2ccccc2Cl)CC1 32986079 CQUROJWIRDMABA-UHFFFAOYSA-N 365.861 1.787 0 40 FDAB Cn1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1=O 511201957 PMVPKOVTTXTNRU-UHFFFAOYSA-N 357.801 1.796 0 40 FDAB O=C(NS(=O)(=O)c1ccc(F)cn1)C1CN(C(=O)C2CCCCC2)C1 408503922 WACTWWTUXLGIFX-UHFFFAOYSA-N 369.418 1.064 0 40 FDAB Cc1cccc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 72376305 WFMBIRRMDOBDDE-AWEZNQCLSA-N 362.459 1.867 0 40 FDAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCC(=O)N(C)C 227153039 WKDFREIIOKRDHD-GFCCVEGCSA-N 364.833 1.888 0 40 FDAB CN1CCN(c2ncc(CNc3ccc(N4CCOCC4)cn3)cn2)CC1 131401738 KRXPHANHAJPJGW-UHFFFAOYSA-N 369.473 1.072 0 40 FDAB CCc1nn2c(=O)cc(Cn3ncc(Cl)c(Cl)c3=O)nc2s1 48310447 ZVFIHDKJWVQCAE-UHFFFAOYSA-N 358.210 1.625 0 40 FDAB O=C(COc1ccccc1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514289050 OYWSHXQKDVEMGZ-YQQAZPJKSA-N 370.396 1.041 0 40 FDAB biogenic,in-vitro Cc1csc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)n1 223346759 APMGQQKJQNWVOO-CYBMUJFWSA-N 373.434 1.988 0 40 FDAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCN(CCO)CC2)cc1 40373330 COCHRAKHIWWEBX-IBGZPJMESA-N 366.502 1.176 0 40 FDAB O=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)C1CC1 96206242 KVCUYKIWVNIBQH-GOEBONIOSA-N 356.513 1.953 0 40 FDAB O=C(O)C[C@@]1(C(=O)O)CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1O 96318895 YEBVCWDLKFOAJG-ZUZCIYMTSA-N 367.404 1.925 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107519 PDEUTRZITRFQEI-HOTGVXAUSA-N 355.460 1.028 0 40 FDAB CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)O 96528509 NCPDLLUZVKEPIJ-VIFPVBQESA-N 351.327 1.786 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]21)c1ccsc1 247423668 RYSZHNMMFATUQY-MGPQQGTHSA-N 370.438 1.067 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)NCc2ccco2)C1 247910917 YJTCKFSQUBVMEW-KRWDZBQOSA-N 367.409 1.753 0 40 FDAB O=C1CC[C@H](N2CCN(c3ccnc(N4CCCCC4)n3)CC2)CCN1 583481371 MRSFYLVCGKOPRY-INIZCTEOSA-N 358.490 1.258 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2ccnc3cc(C)nn23)CC1 257327533 XBSXJKSLDXCETB-QGZVFWFLSA-N 355.442 1.755 0 40 FDAB O=C(NCc1cccc(N2CCOCC2)n1)c1ccc2c(c1)CCOC2 613636694 BLNREIYFNWGKBK-UHFFFAOYSA-N 353.422 1.921 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccnc1)c1ccc2c(c1)CCO2 90607271 SVBVJDABKNOGAK-MRXNPFEDSA-N 354.410 1.374 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108659 RUPQINMZAQKWTQ-JYJNAYRXSA-N 361.417 1.596 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(CC(=O)Nc3ccccn3)CCO2)cc1 585276762 IMNQWGWUFGRGLY-HXUWFJFHSA-N 355.438 1.635 0 40 FDAB COc1ccc(N2CCn3c2nnc(C(=O)NC2CCCC2)c3=O)cc1 585163269 YGKMJUHVQWBYIJ-UHFFFAOYSA-N 355.398 1.471 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655642012 PDADZNQMPNRAIR-UHFFFAOYSA-N 357.439 1.932 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCn1nccc1C)CC3 12253191 OOAZEYOCURCFQG-UHFFFAOYSA-N 371.466 1.746 0 40 FDAB CC(C)NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 12893252 BWKIEMWIVKCKOU-VERUCKTNSA-N 370.405 1.222 0 40 FDAB Cc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 13613088 OJCYFBYYXZZLFY-UHFFFAOYSA-N 361.467 1.924 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706146 IQBMBIVTTNRVSJ-MRXNPFEDSA-N 372.473 1.667 0 40 FDAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 155073001 QHYYFNHUSLHQBJ-COXVUDFISA-N 358.438 1.957 0 40 FDAB Cc1cnc(C(=O)Nc2cccc(NC(=O)CN3CCOCC3)c2)cn1 35289647 DBVOAMIGQGJIFG-UHFFFAOYSA-N 355.398 1.308 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)[C@H]3CCCN(C)C3)CC2)nc(O)c1F 1888834138 APDQTAMBFGQJKF-ZDUSSCGKSA-N 365.453 1.435 0 40 FDAB CCn1cnc2c(N3CCN(Cc4nc(C(C)C)no4)CC3)ncnc21 1888897620 DNAHEGPMFRCTCY-UHFFFAOYSA-N 356.434 1.675 0 40 FDAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3O)CC1 98192883 SXKJDJFTBGADNS-STQMWFEESA-N 368.434 1.160 0 40 FDAB Cc1nc2c(c(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)n1)CCC2 2086923637 LHRJOYXOXSSWBO-HNNXBMFYSA-N 366.412 1.737 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565545580 KUAPCNXDRYENBB-UHFFFAOYSA-N 352.385 1.286 0 40 FDAB CCOC(=O)c1cnn(-c2cc(C)nc3nc(C(F)(F)F)nn23)c1N 15108206 ZYXOCBBLGVKZOY-UHFFFAOYSA-N 355.280 1.396 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1cscn1 2055738764 OXYDNNNELLXVBK-JTQLQIEISA-N 372.406 1.941 0 40 FDAB COC(=O)[C@H](C)Sc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011399 JOTOFOKCGDWJTD-LURJTMIESA-N 357.417 1.186 0 40 FDAB O=C([C@@H]1CN(c2nc3ccc(F)cc3s2)CCO1)N1CCOCC1 1889133898 FRLCWMBUOWBSPM-ZDUSSCGKSA-N 351.403 1.499 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)cc1 75170598 MRJCZXSRPBHUOP-OAHLLOKOSA-N 355.437 1.721 0 40 FDAB Cc1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)c1 25241834 TTYBIYUMCWUGNA-INIZCTEOSA-N 367.409 1.496 0 40 FDAB COCCNC(=O)c1nc(CC(=O)Nc2cccc3ncccc23)no1 40266252 BRZRTBUQGYMIRK-UHFFFAOYSA-N 355.354 1.175 0 40 FDAB O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)Nc1ccc(F)cc1 1350793 HJJDDFFFYKTCFK-UHFFFAOYSA-N 365.332 1.094 0 40 FDAB COC(=O)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 1480275 FJLGRNJXHGDVEP-JTNHKYCSSA-N 360.288 1.283 0 40 FDAB CNC(=O)N(CC1CCCCC1)c1nc2c(=O)n(C)c(=O)n(C)c2s1 1593525 HFTKRAJUCSVHRW-UHFFFAOYSA-N 365.459 1.420 0 40 FDAB Cc1nnc2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nn12 20735983 XSZMHBPTASXNBR-UHFFFAOYSA-N 350.426 1.966 0 40 FDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)O)c2)c1 6680278 WIYZMUBESMAIMB-UHFFFAOYSA-N 354.409 1.949 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 6824704 XBJPWUIUZSUXFV-YLGOIMDESA-N 363.753 1.234 0 40 FDAB Cc1cc(=O)n2nc(CSc3nnnn3-c3ccccc3)sc2n1 7334220 HUFLGSDUXHFECY-UHFFFAOYSA-N 357.424 1.727 0 40 FDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2 107806629 XXKPQEWUXWEPNW-NUEKZKHPSA-N 368.430 1.272 0 40 FDAB COc1cc(CO)cc(Br)c1OCC(=O)N1CCOCC1 8470062 VJBMWFNNKVQHFF-UHFFFAOYSA-N 360.204 1.188 0 40 FDAB CC(C)N(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1 59038110 LIIVZSQKEQHBCD-HNNXBMFYSA-N 358.891 1.854 0 40 FDAB CC(C)c1cc(C(=O)NCC2(C(N)=O)CCOCC2)nn1C(C)(C)C 52745249 MJSGQGHHBCYCSD-UHFFFAOYSA-N 350.463 1.773 0 40 FDAB Cc1nccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)n1 58280751 HDGKOPNZZWPSJZ-UHFFFAOYSA-N 360.439 1.699 0 40 FDAB CCc1n[nH]c(SCC(=O)N2CCN(Cc3ccccc3F)CC2)n1 22867415 YAROLGYFLJHZOX-UHFFFAOYSA-N 363.462 1.943 0 40 FDAB COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1 889702 PLHKLELKFFWDQR-UHFFFAOYSA-N 365.411 1.504 0 40 FDAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-n2cnnn2)cc1 8324567 PLJSATJIXHXHAG-UHFFFAOYSA-N 362.393 1.970 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 12568660 MVAKIVYCUUVBGD-OUJBWJOFSA-N 366.414 1.599 0 40 FDAB CN(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 61238715 RHSCSZBNFVFOAP-UHFFFAOYSA-N 373.906 1.563 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@@H]1COc2ccccc2O1 3369901 YMGDOYXMFNGRRJ-SFHVURJKSA-N 353.374 1.955 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2cccs2)cc1 1842094 VCMZTUBBXPTFMU-UHFFFAOYSA-N 374.418 1.329 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 108608105 XKCIRKWHPQTIFC-UHFFFAOYSA-N 371.363 1.851 0 40 FDAB CN(CC(=O)NCc1ccccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 58280846 LBQKLCWWRYPGDN-MRXNPFEDSA-N 365.499 1.022 0 40 FDAB CC(=O)N1C[C@@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)Oc2ccccc21 10458881 BNWBHKVEAFVMJC-KRWDZBQOSA-N 355.394 1.422 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1 48286435 CMWWBNIKKZTCRF-GFCCVEGCSA-N 350.444 1.775 0 40 FDAB COC(=O)c1ccn(Cn2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)n1 17075198 RIZSJKHDYCIQSR-UHFFFAOYSA-N 366.385 1.173 0 40 FDAB COc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 13539730 UCCIJDGVMQVLFL-UHFFFAOYSA-N 369.425 1.713 0 40 FDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C 4181981 XMRGTCFNMBVSFI-FDCRZUCXSA-N 367.401 1.836 0 40 FDAB Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C2 5032250 PQUYBAFBGAVUTM-HNNXBMFYSA-N 360.391 1.363 0 40 FDAB C[C@H](Nc1ccc(I)cc1)C(=O)N1CCOCC1 9157604 MSGDMUQVSACMPY-JTQLQIEISA-N 360.195 1.950 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@H](C)CN2 18100369 SPVHOSYRPZXDBY-SNVBAGLBSA-N 356.386 1.220 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218858 PLOXKBRFYGSPNZ-BTDLBPIBSA-N 353.369 1.893 0 40 FDAB CC(C)[C@H](OC(=O)COc1ccc(Br)cc1)C(=O)NC(N)=O 6507574 ZQZZIWDRODPWFO-LBPRGKRZSA-N 373.203 1.591 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCSCc3ccco3)ccc21 6653550 LJXGEGVVEYYHBJ-UHFFFAOYSA-N 373.434 1.966 0 40 FDAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 4847043 OKLTZCWUIASYFI-SSDOTTSWSA-N 367.757 1.078 0 40 FDAB COc1ccccc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 15442416 WQKPBESXLYGDRZ-UHFFFAOYSA-N 374.441 1.413 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71279697 IHDCBMSLUYXDKD-ZIAGYGMSSA-N 366.439 1.912 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 8945143 OYEFSLSXOJKBRV-LBPRGKRZSA-N 366.361 1.827 0 40 FDAB COc1ccc(CN(C)CC(=O)Nc2sccc2C(N)=O)c(OC)c1 7974575 IRRQZZHGFXUEII-UHFFFAOYSA-N 363.439 1.935 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 19797433 FRTRPPIZTOZWBT-LLVKDONJSA-N 372.830 1.315 0 40 FDAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3nncn3CC)ccc2NC1=O 78953535 FUQCKERHGNNKGX-FZMZJTMJSA-N 372.429 1.968 0 40 FDAB CNC(=O)[C@H]1CCCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 83881801 IUQSPXIOJZKIDH-CYBMUJFWSA-N 368.363 1.782 0 40 FDAB CC(C)(CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCS(=O)CC1 72305937 PSOCQBCHJIEHGN-UHFFFAOYSA-N 367.471 1.422 0 40 FDAB CC[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)c1noc(C)n1 72310247 PNWCLGJABIRPKV-LBPRGKRZSA-N 372.472 1.548 0 40 FDAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccn2c(=O)[nH]nc12 95456860 JJRUUDPWVHHNHI-UHFFFAOYSA-N 367.340 1.789 0 40 FDAB COCCNc1ccc(C(=O)N(CCC(=O)O)C2CC2)cc1[N+](=O)[O-] 95969859 XFRKZDIFLKJSDR-UHFFFAOYSA-N 351.359 1.732 0 40 FDAB CC(C)c1ccc(CN2CCN(C(=O)CN3CCC[C@H]3CO)CC2)cc1 95948534 ZNSSRDMAVNPMGB-FQEVSTJZSA-N 359.514 1.911 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(-n3cc(CO)nn3)cc2)cc1 95939630 SAIOQDJPQICSME-UHFFFAOYSA-N 374.378 1.259 0 40 FDAB C/C=C/c1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc(OC)c1OC 9909366 ZTPDYQHAVGQNBO-QRGHLMKCSA-N 362.382 1.834 0 40 FDAB O=C(N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1(O)CCCCC1 86532111 FMTOTORJGHZWGH-UHFFFAOYSA-N 366.483 1.356 0 40 FDAB O=C(O)Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408710625 RYLPJXMYOAZIJB-SYWGBEHUSA-N 354.362 1.059 0 40 FDAB COc1ccc(OCCN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1 23648041 IWAIOCCDMWYVNK-UHFFFAOYSA-N 355.398 1.901 0 40 FDAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408625731 UBSGAIFLZZBIIJ-UWVGGRQHSA-N 364.851 1.167 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408595011 RPVRURPPMGTCSA-VHSXEESVSA-N 364.851 1.167 0 40 FDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccccc1 409224289 KSFZSPDPIABRJZ-UHFFFAOYSA-N 350.330 1.912 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 30548634 DUHMPZLTTSPVAR-QGZVFWFLSA-N 350.484 1.892 0 40 FDAB COC(=O)c1c(SCC(=O)Nc2cccc(OC)c2)nc(=O)[nH]c1C 31618469 GRMXAKYGRQFPQB-UHFFFAOYSA-N 363.395 1.604 0 40 FDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cn1c(=O)cnc2ccccc21 513480798 JDYFRDSMFZGLNH-INIZCTEOSA-N 356.426 1.256 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCC1CCOCC1 72326079 ACQCIYWQXIJWIH-KRWDZBQOSA-N 371.437 1.181 0 40 FDAB biogenic Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1c[nH]cn1 36235942 PVXAEXNQVVWOTL-UHFFFAOYSA-N 353.357 1.894 0 40 FDAB Cc1cc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(C)s1 32532607 GDNIUFIEJUAFPQ-ZDUSSCGKSA-N 352.437 1.807 0 40 FDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 49545586 VTZNRLCYTLQYDS-AWEZNQCLSA-N 359.382 1.644 0 40 FDAB O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCC1CCOCC1 96343806 YOOSJKYCFYHPIT-QGZVFWFLSA-N 373.453 1.473 0 40 FDAB biogenic O=C(Cn1nc2c(cc1=O)CCCC2)Nc1cccc(-c2nc[nH]n2)c1 96345631 SBUODCFTVCMENR-UHFFFAOYSA-N 350.382 1.546 0 40 FDAB Cc1cncnc1N1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 96024457 CTEVMJRSGDDHGU-UHFFFAOYSA-N 355.398 1.910 0 40 FDAB COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96064986 SXXYYXVYDXGPPO-IRXDYDNUSA-N 355.456 1.901 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 96040075 AADMRZDUUJYHTC-JKSUJKDBSA-N 355.460 1.138 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230034 KNQLHHBPRIXNKV-ASKKUZCQSA-N 374.437 1.760 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)s1 245227121 AVMPQSVJOPOXAL-ZEDYSCTASA-N 358.423 1.092 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H]1c1cncn1C 583619159 FABZIDQJCCKENP-BDJLRTHQSA-N 358.446 1.533 0 40 FDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)c1 257289151 PXEBTMRFIVRATI-MRXNPFEDSA-N 352.398 1.688 0 40 FDAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 257309710 UCBQQWWXVQOYPL-QGZVFWFLSA-N 358.438 1.783 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2ccc(-c3ccnn3C)nc2)CC1 257234916 GVPFHAOCOOCSKT-UHFFFAOYSA-N 363.487 1.543 0 40 FDAB CN(c1nnc(-c2ccccn2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 585085320 WLEIUBWXBDFKMI-CYBMUJFWSA-N 373.438 1.605 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 257280294 OKIITLFZJBDPMX-INIZCTEOSA-N 360.435 1.598 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257248701 JEVBAIJLDLRADV-MRXNPFEDSA-N 356.430 1.143 0 40 FDAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@H](O)C(=O)O)cccc2c1=O 1607502308 PRVNCBSYCHYFGT-HNNXBMFYSA-N 367.357 1.944 0 40 FDAB O=C(Nc1nnc2nc[nH]n12)c1ccc2c(=O)n3c(nc2c1)CCCCC3 646269319 VPTCTYCXDJTMOU-UHFFFAOYSA-N 364.369 1.141 0 40 FDAB O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1)c1ccno1 575406530 YJCZUSRKOQHTOD-CYBMUJFWSA-N 371.393 1.431 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)Cc2ccnn21 585095417 WCXRDTQBWLMRPX-QGZVFWFLSA-N 368.437 1.470 0 40 FDAB CS(=O)(=O)/N=C(\O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 48481033 QSAGXHVXOSJMIS-UHFFFAOYSA-N 360.457 1.145 0 40 FDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)CC1 58169009 YTCBGLJCJHVTCY-ZWKOTPCHSA-N 359.470 1.632 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c(OC)c1 56026780 CNBAWIXBOFLFBA-UHFFFAOYSA-N 356.382 1.092 0 40 FDAB CC(C)Cn1cc(C(=O)N2C[C@]34CCCC[C@@]3(C2)CS(=O)(=O)C4)cn1 1551636213 IGADKSBWEKJWLM-HDICACEKSA-N 365.499 1.970 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153168 ARTKXULLTGQMNU-IBGZPJMESA-N 354.410 1.377 0 40 FDAB O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12)C1CC1 5433919 FRVHLDPRFCLSTM-WMHQRMGPSA-N 356.382 1.210 0 40 FDAB biogenic,in-vitro CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)Cn3cncn3)C2)C1 12087166 NGTCYPFLTGNPPY-IBGZPJMESA-N 369.425 1.080 0 40 FDAB CN1[C@@H](C(=O)Nc2cccc(O)c2)C[C@@H](c2cccs2)NS1(=O)=O 12159649 VKZLEQJBPOZASP-QWHCGFSZSA-N 367.452 1.672 0 40 FDAB COc1cc(C(=O)OCc2cc(C)on2)cc(OC)c1OCC(N)=O 16404319 CDKUKQWAJVTLNV-UHFFFAOYSA-N 350.327 1.221 0 40 FDAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCC2)C3)C1 19079424 FSIZJCAMKKZQAE-GDBMZVCRSA-N 371.485 1.181 0 40 FDAB COCC(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C 19291753 OWBFJQPPWXPGAS-UHFFFAOYSA-N 357.389 1.852 0 40 FDAB O=C(Cn1nnc2ccccc21)NCCn1nc(-c2cccs2)oc1=O 19376712 FRCPJILBGMSTQN-UHFFFAOYSA-N 370.394 1.126 0 40 FDAB COc1ccc(CCC2CCN(C(=O)c3cc(=O)n(C)c(=O)[nH]3)CC2)cc1 19666147 JHKLYOFKZHNMJR-UHFFFAOYSA-N 371.437 1.567 0 40 FDAB CN(Cc1cc(C2CCNCC2)nn1C)C(=O)c1ccc2c(c1)OCCO2 19710002 OORJLZCQAKVFCR-UHFFFAOYSA-N 370.453 1.931 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1 19749721 HXPREYDMNAEQRD-OAHLLOKOSA-N 371.441 1.743 0 40 FDAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCCN2C(=O)c2cnccn2)n1 19766502 JFKRXOUHVMNEDN-INIZCTEOSA-N 366.425 1.835 0 40 FDAB COC1(CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CCSCC1 239611724 FCJGVPKEVJBJBZ-UHFFFAOYSA-N 372.468 1.322 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2cccn(C)c2=O)CC1 1889125202 UKZPROPBSNYGLK-UHFFFAOYSA-N 361.833 1.570 0 40 FDAB c1ccc(-c2ccnc(N3CCN(c4ccc5nncn5n4)CC3)n2)nc1 2087044686 ZONXJXXVVIPNNW-UHFFFAOYSA-N 359.397 1.303 0 40 FDAB O=C(c1cc[nH]n1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 1565549321 VHRVXCKSYSIWNK-UHFFFAOYSA-N 353.426 1.850 0 40 FDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)NC1CCCCC1 8848699 OWGCABIJAKAECN-UHFFFAOYSA-N 369.425 1.006 0 40 FDAB Cc1nc(C(=O)N2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cs1 2055713245 MAFRVEAGHLIOSV-VNHYZAJKSA-N 361.423 1.448 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ncccn2)C1 2055751067 DBYKJZZQAGEKSX-LJQANCHMSA-N 353.426 1.652 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(C)c(C)c2)CC1 2055745773 ZMQSMOYNGRJPEP-UHFFFAOYSA-N 369.469 1.292 0 40 FDAB O=C(NC[C@H]1CCCO1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775974150 XFVRGGBBGVWKQB-MRXNPFEDSA-N 354.410 1.656 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3cnn(C)c3)C2)cc1 613972161 WEUIXZZYQBWECF-CQSZACIVSA-N 363.439 1.775 0 40 FDAB CCc1nccn1CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19523514 VDKGQIMQXSUFEZ-CQSZACIVSA-N 354.458 1.287 0 40 FDAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](C(N)=O)C2)cc1C 50852887 WJMPHYCCDGHKHK-SFHVURJKSA-N 366.417 1.861 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11548010 XZCPSJAQHGMZAQ-SNVBAGLBSA-N 374.372 1.501 0 40 FDAB COc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 817256 SDVNXCPHTHMLEL-UHFFFAOYSA-N 356.444 1.529 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1 7785324 RLQZGZGVEVRFLD-CQSZACIVSA-N 367.427 1.500 0 40 FDAB O=C(NCC(=O)[C@H]1N=C(c2ccc(F)cc2)OC1=O)c1ccc(F)cc1 101275267 HYZSJPJXHUKONP-OAHLLOKOSA-N 358.300 1.636 0 40 FDAB O=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCC1 4217938 RCUVIRRSHSULNR-UHFFFAOYSA-N 354.414 1.747 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1 8515132 HJJJDDGYWBAOPO-LLVKDONJSA-N 372.443 1.855 0 40 FDAB Cc1nn(CC(=O)N2CCCC[C@H]2C)c(C)c1S(=O)(=O)NC(C)(C)C 7813837 QMWGDCFVYZSMMJ-GFCCVEGCSA-N 370.519 1.978 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](O)C(Cl)(Cl)Cl)cc1 57291958 OYZSBBVQRNGYQS-LLVKDONJSA-N 374.673 1.964 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1sccc1C(N)=O 16313885 SVLDGAUPRTXCTB-UHFFFAOYSA-N 350.352 1.213 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cnn1C 2732688 RUWQLRCDOXIPAK-AWEZNQCLSA-N 368.503 1.578 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2ccncc2)C1)c1ccccc1 12324620 SGNKMEPAJOGXNM-INIZCTEOSA-N 366.421 1.689 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccnc1-n1cncn1 47122067 MPTNGXOYZYGWBP-BLLLJJGKSA-N 351.366 1.507 0 40 FDAB Cc1nc2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O 642351 RHGPRPAGNSZBCG-UHFFFAOYSA-N 360.373 1.544 0 40 FDAB NC(=O)Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3 12409138 VSSAJTUCHZGSOS-UHFFFAOYSA-N 366.406 1.142 0 40 FDAB CCCn1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1=O 22657064 CAFPULCXZAJKDE-UHFFFAOYSA-N 371.349 1.024 0 40 FDAB Cc1nnc(C)n1-n1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O 20803210 YDTNDAXHWWEMLE-UHFFFAOYSA-N 359.353 1.021 0 40 FDAB O=C(C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O)NC1CCCCC1 61721408 IIHVQOGQSGMWJV-MRXNPFEDSA-N 374.485 1.743 0 40 FDAB Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cn1 23447283 QQMUJNGMFRWYOI-UHFFFAOYSA-N 369.450 1.417 0 40 FDAB Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C)CC2)cc1 20140674 AGJAYSUNPLPYJB-ZWKOTPCHSA-N 356.474 1.497 0 40 FDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1 23128113 FUWWAHBMQCZGFG-UHFFFAOYSA-N 362.405 1.472 0 40 FDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NC1CCCC1 57740001 CJGRHYSIIKXSMC-FQEVSTJZSA-N 370.453 1.610 0 40 FDAB COC(=O)c1ccc(CS(=O)(=O)N2CCC(C(=O)OC)CC2)cc1 20493107 YOGUIGRGLGWEAC-UHFFFAOYSA-N 355.412 1.188 0 40 FDAB O=C(CCNC(=O)NCc1ccccc1)NC[C@H]1COc2ccccc2O1 10029779 CAYWGIWWEXDADD-INIZCTEOSA-N 369.421 1.832 0 40 FDAB COc1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3368697 BTSMQPICBJIRAB-UHFFFAOYSA-N 367.361 1.738 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCOc2cccc(F)c2)CC1 36396379 OWJZPEGZSXZGFT-UHFFFAOYSA-N 365.449 1.654 0 40 FDAB NC(=O)[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 28368884 MEBWHKCXJHQULI-OAHLLOKOSA-N 367.858 1.435 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccncc1 2396562 WKBKSTDTYCPDHS-UHFFFAOYSA-N 368.422 1.707 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C(=O)O)c1 12734011 GCVBUAJAOZPJPD-VIFPVBQESA-N 362.835 1.573 0 40 FDAB NC(=O)COc1cccc(COC(=O)c2cc3ccccc3c(=O)[nH]2)c1 62683074 ISARJBQIVXRCIW-UHFFFAOYSA-N 352.346 1.749 0 40 FDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 69086916 KBUUZSMTMCZRRH-SNVBAGLBSA-N 363.395 1.900 0 40 FDAB Cn1c(=O)c2cc(C(=O)N[C@@H](c3ccccc3)C3CC3)cnc2n(C)c1=O 12932999 JCQRRKBZQBLLPN-INIZCTEOSA-N 364.405 1.513 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NCc1ccco1 8189639 OQTLVICUIRHQBL-INIZCTEOSA-N 366.377 1.540 0 40 FDAB CC(=O)NCCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 8313545 BTQLQNQAWWEXJF-UHFFFAOYSA-N 368.455 1.463 0 40 FDAB CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 24043919 AMBDMPCLUOTZNW-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB COC(=O)C1=NO[C@@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 5399018 AFVPSXUIEBBIEV-CQSZACIVSA-N 357.149 1.945 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 14164809 JNUCLJGYNRXOPF-BMLIUANNSA-N 353.369 1.893 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NCc1cnn(-c2ccccc2)c1 14407306 CCXCDDNXYMTMHL-UHFFFAOYSA-N 365.418 1.960 0 40 FDAB CCN(C)C(=O)c1cnc2n1C[C@H](NC(=O)c1cccc(N(C)C)c1)CC2 306131334 KCBOBUFIRKVBTP-OAHLLOKOSA-N 369.469 1.786 0 40 FDAB COc1ccccc1CC(=O)OCC(=O)NCc1ccc2c(c1)OCO2 7035241 RIDRYSGRMSBYSI-UHFFFAOYSA-N 357.362 1.826 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1cccnc1 8765515 MXOPDKFSPVHGEU-INIZCTEOSA-N 352.394 1.599 0 40 FDAB biogenic CC1=NNc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2[C@H]1C 8704249 YLVIZPKSJQOPHZ-JTQLQIEISA-N 372.816 1.961 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(N)=O)CC1 9833738 FFKLMXVFIRDVPL-OAHLLOKOSA-N 359.470 1.628 0 40 FDAB Cn1ccnc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1=O 76093100 NWKYSIWOXVZEDO-HNNXBMFYSA-N 354.410 1.200 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1cccc(F)c1 72402057 VVYWTRPPDFDDFO-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB CCC[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)N1CCc2sccc2C1 95396358 OHQULPQGLDQFFN-GXTWGEPZSA-N 361.471 1.770 0 40 FDAB COC[C@@H](O)CN1CCC(NC(=O)CSCc2cccs2)CC1 95444996 UDUJUZFPVZAFLK-AWEZNQCLSA-N 358.529 1.569 0 40 FDAB Cc1cccc2nc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)n12 85878934 STGIABNFCMGRCU-CVEARBPZSA-N 362.433 1.784 0 40 FDAB biogenic O=C(NCC[C@H]1CCOC12CN(c1ncccn1)C2)C1CC(F)(F)C1 306130237 IZQUHVYFWPIVIO-ZDUSSCGKSA-N 352.385 1.624 0 40 FDAB COC(=O)c1ccc(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)cc1 32644898 ZGVQPOHXJOCFKZ-UHFFFAOYSA-N 366.377 1.670 0 40 FDAB CC1(C)COC[C@@H]1NC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 516910070 IZTDPIBSYIHYGI-AWEZNQCLSA-N 359.492 1.011 0 40 FDAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2cccnc2N1 72342621 ZJKMGFUADCBVHZ-JNZMBRMSSA-N 372.469 1.912 0 40 FDAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 38832807 PXRCLGNRBLQXGE-QGZVFWFLSA-N 360.435 1.920 0 40 FDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cccc(OC(F)(F)F)c1 40386528 LHKSVAPIOXQYLP-QMMMGPOBSA-N 355.276 1.774 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 229927353 OWDXQNUTULMXQF-DEXNDLTESA-N 360.410 1.370 0 40 FDAB Cc1nnc(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)s1 75149265 PPHWPWLHOQGLTP-UHFFFAOYSA-N 355.427 1.842 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1CCCCC1)C2 96238066 OLIVZVCUOPEBTR-FQEVSTJZSA-N 356.470 1.911 0 40 FDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 96040268 CIIBYKVIKPVFJN-IAGOWNOFSA-N 354.472 1.819 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)CC(C)C)C3)C2)cn1 96225972 HUUUBNFXEBPODG-GOSISDBHSA-N 359.430 1.195 0 40 FDAB O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96062416 JMRXSEHOQWQHJD-MRXNPFEDSA-N 356.513 1.765 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nccs1 96231732 ANCRGOOWOKWHBT-LBPRGKRZSA-N 362.411 1.296 0 40 FDAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1cn(C)cn1 257226392 FKMOPLVOBJSVHA-ZHALLVOQSA-N 352.438 1.897 0 40 FDAB CCCn1nc(-c2nnc3n2C[C@H](C(=O)OC)CC3)c2ccccc2c1=O 601045849 YUNHKTMLHXWTHL-GFCCVEGCSA-N 367.409 1.800 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)CC1 257284924 PEWUVIYRSKNSES-INIZCTEOSA-N 355.442 1.922 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2scnc2C)CC1 257269992 MSHPFXDTKKPLRY-UHFFFAOYSA-N 359.455 1.897 0 40 FDAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](OC)[C@@H]3O)nn2C)cc1 257286973 PNWIQROSJGMVHW-ZTFGCOKTSA-N 359.426 1.754 0 40 FDAB Cn1cnnc1[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 1665266778 REIWVMPLWUFJQA-CQSZACIVSA-N 357.439 1.784 0 40 FDAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 652057162 VXDVNMXEODVEMU-UONOGXRCSA-N 368.455 1.308 0 40 FDAB CSC1CCN(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)CC1 601623451 KFLHNAAUWPRKJR-HOTGVXAUSA-N 367.519 1.329 0 40 FDAB CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 298226230 VUPWZUKSUPPQKH-UHFFFAOYSA-N 368.455 1.075 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1F 647927940 AKNFYLFGNIGNKQ-ZDUSSCGKSA-N 354.359 1.204 0 40 FDAB O=S1(=O)C[C@@H](N(CCNCc2ccccc2)Cc2ccccc2)[C@@H](O)C1 575423201 ZGNCFXYCVSXYKY-UXHICEINSA-N 374.506 1.436 0 40 FDAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)C1CC(F)C1)C2)N1CCCC1 575402355 BFSVEMBXEDESSO-RUXDESIVSA-N 356.463 1.460 0 40 FDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCCC2)[C@@H](O)C1 585282936 JXAFYAGCLRPRBB-WMZOPIPTSA-N 352.862 1.303 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1O 585286546 KSKDJSGIVJLQEY-ALRGJMFCSA-N 359.344 1.952 0 40 FDAB Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(C(=O)c3ccnn3C)C[C@@H]12 585108440 MSXUXWMIKWYSGB-RBSFLKMASA-N 369.425 1.097 0 40 FDAB Cn1ccc(CC(=O)N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)n1 585109343 KWYHXHZCTYHCHP-NXHRZFHOSA-N 374.485 1.229 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1 828158475 UZALOXRIYOINBX-UHFFFAOYSA-N 365.499 1.637 0 40 FDAB Cc1cc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)no1 1549160528 GGTQKQZADYARCD-INIZCTEOSA-N 374.441 1.391 0 40 FDAB CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C](N)C(=O)O)C(=O)O 1560408713 AXWYGJIGPSTFCH-GWHHBTOMSA-N 357.452 1.596 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 12903948 ULYHQSBUACESNR-ZIAGYGMSSA-N 370.471 1.390 0 40 FDAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCCC2)cc1 19590930 LPKVZVDIVRZHFG-GOSISDBHSA-N 365.437 1.994 0 40 FDAB COCCC(=O)N1CC[C@H](c2cc(N3CCN(C(C)=O)CC3)cc(C)n2)C1 19705293 DAKUHLDNOIOQCR-KRWDZBQOSA-N 374.485 1.411 0 40 FDAB Cn1nc2c(c1C(=O)Nc1cnn(CC(=O)N3CCCC3)c1)CCCC2 19746145 VKDDCGFEKASOFM-UHFFFAOYSA-N 356.430 1.370 0 40 FDAB CN(C)C(=O)Cn1cccc(C(=O)NCC(C)(C)c2ccc(F)cc2)c1=O 19751511 RIYGPNQIEZLKFD-UHFFFAOYSA-N 373.428 1.783 0 40 FDAB Cc1cccc(C)c1N1C(=O)C[C@@H](SC(C)(C)[C@@H](N)C(=O)O)C1=O 19866775 PGNBRVSLALBTIU-RISCZKNCSA-N 350.440 1.859 0 40 FDAB O=C1CN(C2CCN(c3ncnc(C4CC4)c3F)CC2)C(=O)N1C1CC1 1888854150 BFUPLJBXWWWSQD-UHFFFAOYSA-N 359.405 1.889 0 40 FDAB CC[C@H](C(=O)NCC1(OC)CCN(S(C)(=O)=O)CC1)c1ccccc1 1888896982 VBLIQPLMVPWBIH-INIZCTEOSA-N 368.499 1.737 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(C(=O)[C@H]4CCCO4)CC3)nc2)cn1 1889139091 BZMGJTJPPFIJRQ-MRXNPFEDSA-N 357.414 1.426 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25462506 YXRCJRWOOSRREM-CYBMUJFWSA-N 366.381 1.746 0 40 FDAB Cc1nc(CN2CCOC3(CCN(C(=O)[C@@H]4CCOC4)CC3)C2)cs1 1614928962 BAQSAGVUSIOSJK-OAHLLOKOSA-N 365.499 1.681 0 40 FDAB Cn1nc(CNC(=O)c2cc[nH]n2)c2cc(C(=O)NC3CCC3)sc21 1565545559 JZXGTUUMGSLQBG-UHFFFAOYSA-N 358.427 1.570 0 40 FDAB Cc1cccc(C)c1NC(=O)CSc1nnc(CCC(=O)O)c(O)n1 22909446 AXMFVAAHWCEPAC-UHFFFAOYSA-N 362.411 1.942 0 40 FDAB CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2cccs2)c2ccccc2O1 31720864 RSBPJCCOCVKPFV-CYBMUJFWSA-N 352.437 1.793 0 40 FDAB CC1CCN(c2nc(NC(C)(C)CO)nc(N3CCOCC3)n2)CC1 1059448 PUMRYYBQJUYZND-UHFFFAOYSA-N 350.467 1.127 0 40 FDAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(CC)c1=O 20757924 OHHPTXDFJFVILC-INIZCTEOSA-N 354.410 1.711 0 40 FDAB biogenic COc1ccc(C(=O)NCCn2ncc3ccccc3c2=O)cc1OC 40818913 IHPFGUKSAZRDDH-UHFFFAOYSA-N 353.378 1.844 0 40 FDAB COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 2630484 VMMMPALASKOGTN-UHFFFAOYSA-N 353.422 1.774 0 40 FDAB CN(CC(=O)NC(=O)NCc1ccco1)CC(=O)Nc1cccc(F)c1 3541868 LNHHAKVDASSWKY-UHFFFAOYSA-N 362.361 1.315 0 40 FDAB CS(=O)(=O)CC[C@H]1NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 8508338 LCDZDXXBRVEWDS-GFCCVEGCSA-N 360.819 1.074 0 40 FDAB COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)CC(C)C)cc2)n1 4969497 JZGJVUMKPYQOIK-UHFFFAOYSA-N 374.445 1.477 0 40 FDAB CC(=O)N1CCN(C(=O)COC(=O)COc2c(C)cc(C)cc2C)CC1 6551453 UGJCKRWSOGYECB-UHFFFAOYSA-N 362.426 1.225 0 40 FDAB CCN(CCCNC(=O)c1cc2ccccc2cc1O)S(C)(=O)=O 72005802 ATPNKUYRNICKSG-UHFFFAOYSA-N 350.440 1.947 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7621197 QZITZPIQRCGVRM-UHFFFAOYSA-N 363.370 1.152 0 40 FDAB O=C1N[C@@H]2CS(=O)(=O)[C@@H](CCCCC(=O)OCc3ccccc3)[C@@H]2N1 32854412 GOBJAJZVGPZALB-IJEWVQPXSA-N 366.439 1.137 0 40 FDAB COc1ccc2cc(CN(C)S(=O)(=O)N3CCOCC3)ccc2c1 32900037 HGJNNWJXBOSGDN-UHFFFAOYSA-N 350.440 1.857 0 40 FDAB OC[C@@H](CNc1nc(N2CCCC2)nc(N2CCCC2)n1)Cc1ccco1 29965954 SBWSIZWSXQKYEY-OAHLLOKOSA-N 372.473 1.928 0 40 FDAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2ccccc21 10795516 UBRBXDWFSFNONM-LBPRGKRZSA-N 374.418 1.469 0 40 FDAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1 876161 FWGPNDLKWMSCMC-DTQAZKPQSA-N 356.378 1.918 0 40 FDAB CC1CCN(Cc2nnn(-c3nonc3N)c2CN2CCC(C)CC2)CC1 1238598 DFBQZWCDYNHZSD-UHFFFAOYSA-N 374.493 1.696 0 40 FDAB CN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 104271369 HGOIZBXGKQHHEE-OACCOTFLSA-N 369.461 1.763 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCOc1ccc2c(c1)CCC2 56009201 BHYBQEIIEKRXHP-INIZCTEOSA-N 352.456 1.094 0 40 FDAB CC1(NC(=O)/C=C/C(=O)O)CCC(C(C)(C)NC(=O)/C=C\C(=O)O)CC1 104389715 CDUVZYADGAPCSX-XGXWUAJZSA-N 366.414 1.228 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 10032739 HVVPDZPCJVKKSS-JXMROGBWSA-N 359.382 1.532 0 40 FDAB O=C(CCNC(=O)c1cc2ccccc2oc1=O)NCc1cccnc1 58175795 YCLDQCXDRLMJFG-UHFFFAOYSA-N 351.362 1.624 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)CC1 12529523 IPIRLXYNBZRMTJ-LBPRGKRZSA-N 373.409 1.910 0 40 FDAB C[C@H]1CCc2nc(NC(=O)C3CCN(S(N)(=O)=O)CC3)sc2C1 44917441 AHHFSZZCQWUZPY-VIFPVBQESA-N 358.489 1.122 0 40 FDAB CN(C)CCCNC(=O)c1nc(CC(=O)Nc2ccc(F)cc2F)no1 36365155 JWXJRLSFIBUTGY-UHFFFAOYSA-N 367.356 1.211 0 40 FDAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 2348905 ZMBRMQPHUQPXRG-CYBMUJFWSA-N 359.329 1.629 0 40 FDAB CNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3318078 NXKQYDWINCVEJA-UHFFFAOYSA-N 374.846 1.417 0 40 FDAB COc1ccc(/C=C/C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1OC 3326122 LODMDABWOCGELS-PMGBHYCQSA-N 350.371 1.480 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCc3ccccc3OC(F)F)cnc21 12827502 RFLVVBTVTPGQAV-UHFFFAOYSA-N 363.324 1.048 0 40 FDAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4F)CC3)ncnc12 28557327 APVJDPLEYIOQME-UHFFFAOYSA-N 354.389 1.773 0 40 FDAB COc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cn1 17297011 QNCNTBCYMNRDSL-UHFFFAOYSA-N 355.441 1.496 0 40 FDAB C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)C1CCC(NC(N)=O)CC1 64096577 WCRSCAMTOIEDGU-XSCHDIRWSA-N 353.463 1.794 0 40 FDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccc(F)c(Cl)c1 49550142 PZZQNKDLIBRANE-UHFFFAOYSA-N 366.780 1.511 0 40 FDAB CS(=O)(=O)N1CCO[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306130326 JCNOJRAXNQIQLM-CQSZACIVSA-N 359.411 1.124 0 40 FDAB COCCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 5019234 XYPVAVBSAILUJB-UHFFFAOYSA-N 353.400 1.609 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 4486742 WPBRVUDLKWTZQF-UHFFFAOYSA-N 374.418 1.804 0 40 FDAB COc1ccc2c(CC(=O)N3CCN(CC(=O)NC4CC4)CC3)coc2c1 14092913 TYYYDFFMHMRPFY-UHFFFAOYSA-N 371.437 1.407 0 40 FDAB C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C[C@@H](C)O1 14137900 VFKFRLMLGBMSKY-CZIZLABSSA-N 353.369 1.799 0 40 FDAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 5488136 CXDMNJPHTYBAGK-AWEZNQCLSA-N 373.482 1.966 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)O 71334150 RJRXZVMUVZVECU-PIGZYNQJSA-N 361.373 1.665 0 40 FDAB Cc1n[nH]cc1-c1nnnn1-c1ccc(I)cc1 16264904 XJLVWILUHJUQNL-UHFFFAOYSA-N 352.139 1.965 0 40 FDAB COc1cc(C(=O)NCc2ccccc2CN(C)C)ccc1OCC(N)=O 7941714 KKZNCFFLMCRSSZ-UHFFFAOYSA-N 371.437 1.551 0 40 FDAB CCCN(CC(=O)NC(=O)NCC)CC(=O)Nc1ccc(F)c(F)c1F 16590100 VFSDVPVWXTZHOU-UHFFFAOYSA-N 374.363 1.600 0 40 FDAB O=C(Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1)N1CCOCC1 9336730 HZMNYYSBRVUYTB-UHFFFAOYSA-N 374.466 1.776 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 21052538 LNRBFZCRRCFSKH-OKILXGFUSA-N 368.499 1.708 0 40 FDAB CCCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113966065 IGCCCCHTQLJYBR-UHFFFAOYSA-N 370.471 1.920 0 40 FDAB O=C(NCCCC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccs1 84436868 TYBRAYGFESYMJQ-CYBMUJFWSA-N 350.362 1.784 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 24482564 DMBIRJSFYPLJNI-KRWDZBQOSA-N 352.438 1.920 0 40 FDAB COc1ccccc1NC(=O)CCN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 95449878 JBAAVTAVWKTNMZ-HKUYNNGSSA-N 374.529 1.982 0 40 FDAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CCSCC1 408975474 KVLNSRQALDVYRJ-UHFFFAOYSA-N 354.391 1.466 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)C1 546254881 IBYYLTBFJVLFPV-ZDUSSCGKSA-N 372.418 1.449 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 11616103 NONJJLVGHLVQQM-NFOTXUCKSA-N 364.423 1.086 0 40 FDAB biogenic O=S(=O)(N1CC2(C1)OCC[C@H]2CCOc1ccccn1)C(F)(F)F 306131858 KRGOUQRYJMCLHE-LLVKDONJSA-N 366.361 1.791 0 40 FDAB CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)C1CCCC1 30868271 NMEFNGXVLUROSB-UHFFFAOYSA-N 357.451 1.840 0 40 FDAB O=C(NCCCCCO)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709635 VTKKYBJIXHKOOI-UHFFFAOYSA-N 373.409 1.427 0 40 FDAB CS(=O)(=O)NCCCNc1ccccc1S(=O)(=O)C(F)(F)F 32829630 XNDAAXDJICJSBT-UHFFFAOYSA-N 360.379 1.331 0 40 FDAB C[C@]1(c2ccc(C(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)cc2)NC(=O)NC1=O 533044607 MZRAVQOXRAFSOL-BXTJHSDWSA-N 371.437 1.630 0 40 FDAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCOCC1 45973282 ZPBAIGYMFJRBHS-OAHLLOKOSA-N 361.486 1.551 0 40 FDAB C[C@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc(S(N)(=O)=O)cc1 43360249 GXVSEYWDCTUZRE-QMMMGPOBSA-N 367.456 1.946 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCOc2cccc(C)c2C)CC1 223961101 XCXVGMRNLKOTIB-UHFFFAOYSA-N 368.499 1.860 0 40 FDAB COc1ccc(CCNC(=O)N2CC[C@H](Oc3cncc(OC)n3)C2)cc1 225396052 YATKRKHTKNOTLQ-INIZCTEOSA-N 372.425 1.899 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccnc2)cc1N1C(=O)CCC1=O 225837753 ALVRYYAYSDKDLK-UHFFFAOYSA-N 361.379 1.544 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)C(=O)N1CC1CC1 96261647 IDPHUDNMIAOOMD-QIIPPGSGSA-N 365.499 1.620 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccnnc1)C2 96050274 FDJABMKPJLBGQS-LJQANCHMSA-N 369.400 1.179 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccccn1)C2 96050287 UBAWYKKAOGSTHJ-FQEVSTJZSA-N 368.412 1.784 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)cn1 96060800 JJOQQBAYIKSSMX-KRWDZBQOSA-N 352.442 1.865 0 40 FDAB O=C(c1n[nH]c2c1CCCCC2)N1CCn2c(nnc2C(F)(F)F)C1 96230704 YSTXPBXQSASGSG-UHFFFAOYSA-N 354.336 1.945 0 40 FDAB CCCn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C 96306474 GOSPSTOBWADIMT-UHFFFAOYSA-N 356.411 1.861 0 40 FDAB COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCCC3)CC[C@@H]2O)cc1 96295999 FOWAFZOJZWNSEV-FHWLQOOXSA-N 362.470 1.706 0 40 FDAB biogenic,in-vitro Cn1nccc1-c1ccccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 579869400 ZNRAYUIRSDMZQQ-HXUWFJFHSA-N 367.453 1.897 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@]2(CNC(=O)C2)C1 96035998 JGYHBNYDFVUIND-LJQANCHMSA-N 362.449 1.568 0 40 FDAB CC(=O)N1CCC[C@](O)(C(=O)NCc2ccccc2CN2CCCC2)C1 583619999 HIOXXRHFLXTGEH-HXUWFJFHSA-N 359.470 1.272 0 40 FDAB Cc1nc([C@H]2COCCN2S(=O)(=O)c2c(C)nn(C)c2C)cs1 96219634 LTDRPJCYMCHMDJ-CYBMUJFWSA-N 356.473 1.564 0 40 FDAB COc1ccc(CCc2n[nH]c(NC(=O)[C@H]3CC(=O)N(C)C3)n2)cc1OC 95474186 KFUSEDZBIIFWOP-LBPRGKRZSA-N 373.413 1.024 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccccn4)C3)C2)cn1 96208251 FHTZJHJCWVALEL-VQIMIIECSA-N 355.442 1.369 0 40 FDAB Cc1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)n(C)n1 248029391 KQAQJIILEKCMEU-INIZCTEOSA-N 364.515 1.427 0 40 FDAB Cc1c(C(=O)N2CC[C@@](F)(CO)C2)nnn1-c1ccc2ncccc2c1 585080623 RYUNALRTHGBFFD-SFHVURJKSA-N 355.373 1.670 0 40 FDAB CC(=O)N1CCN(C(=O)CCCN(C)c2ccccc2)C[C@H]1C(=O)N(C)C 257279107 OFANSTPMZUWFRJ-SFHVURJKSA-N 374.485 1.051 0 40 FDAB CNc1cc([C@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)ccn1 257276542 NUFOFNBYWDKGCK-AWEZNQCLSA-N 359.430 1.161 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3noc4c3CCCC4)C2)ncn1 257222299 DSTLKPFLVPZHBB-CQSZACIVSA-N 356.426 1.983 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccccn3)cn2)CC1 257326921 WZCXDERSTSOVGY-UHFFFAOYSA-N 353.426 1.603 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257262698 LMMDORBSPATVTN-GOSISDBHSA-N 355.442 1.748 0 40 FDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(F)cnc1O 621973759 WZLAGFMEHOXEQM-MRXNPFEDSA-N 359.401 1.947 0 40 FDAB CCOc1ncccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 648430135 CHPAWMCLSXTRAY-YOEHRIQHSA-N 354.410 1.825 0 40 FDAB CO[C@@H]1CCN(C(=O)Cn2cccnc2=O)C[C@H]1Cc1cccc(F)c1 585275759 GTROUVPLBQKGGW-NVXWUHKLSA-N 359.401 1.489 0 40 FDAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCO)cc2)c1 585262517 IENOTJFWXLCKCK-QGZVFWFLSA-N 361.438 1.938 0 40 FDAB O=C(CNC(=O)Cc1cccc(F)c1)NCc1ccccc1-n1ccnc1 55696652 NTGKAUPPRBUAFH-UHFFFAOYSA-N 366.396 1.987 0 40 FDAB CCNC(=O)c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 516112402 WINAPZRDESUVRK-UHFFFAOYSA-N 367.452 1.326 0 40 FDAB O=S(=O)(C1CC1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530342 JCFMNBPAJXWPQD-UHFFFAOYSA-N 351.476 1.081 0 40 FDAB CN(C)CCCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161134 VREGBZLZMCJOTA-FQEVSTJZSA-N 359.470 1.753 0 40 FDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCn1cnc2ccccc2c1=O 19661781 FOZRLHWOVIANNR-CYBMUJFWSA-N 367.453 1.884 0 40 FDAB CCc1ccc2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2c1 11806586 IOEYCEWMKQGZSZ-UHFFFAOYSA-N 368.422 1.941 0 40 FDAB CCc1nc(N2C[C@H]3CN(c4ncc(Cl)cn4)C[C@@H]3C2)nc(O)c1F 1888856893 VPEZBSQBLSOSKW-NXEZZACHSA-N 364.812 1.900 0 40 FDAB Cn1cnc2c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)ncnc21 1889139027 RUEGJNBNBMPQRZ-UHFFFAOYSA-N 364.335 1.499 0 40 FDAB Cc1ncc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c(C)n1 1848355261 JESKVILSQMPBLH-INIZCTEOSA-N 354.401 1.402 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCCn2ccc(-c3cnccn3)n2)cc1 238881587 PJKXHENNUWZKIQ-UHFFFAOYSA-N 371.422 1.521 0 40 FDAB CN(C)C(=O)NC1CC2(CCN(C(=O)COc3cc(F)ccc3F)C2)C1 2056214963 QTGYLPUDKOXRAN-UHFFFAOYSA-N 367.396 1.996 0 40 FDAB O=C(NC1CCCCC1)[C@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226142 LISMDUUKMRCFAL-UYAOXDASSA-N 359.470 1.890 0 40 FDAB Cc1cc(C)nc(N2CCO[C@@]3(CO[C@H](C(=O)NCC(F)(F)F)C3)C2)n1 2056226763 ZIVQFCPNAKDRNB-SWLSCSKDSA-N 374.363 1.136 0 40 FDAB COC1(CC(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)CCC1 1565546793 DUMVYTAXPSTUAU-DLBZAZTESA-N 353.507 1.199 0 40 FDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1565549673 YXLOYCVKSVJXFA-WXRGLTTHSA-N 371.481 1.271 0 40 FDAB O=C(Cc1ccccn1)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565543093 VEFBPODYORADSQ-PXNSSMCTSA-N 351.406 1.135 0 40 FDAB CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(Cl)cc1 974264 SOTZOBBUMBLJES-UHFFFAOYSA-N 363.765 1.675 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)NC2=O 4325510 AVYBGKWCWKWCSY-UHFFFAOYSA-N 358.375 1.373 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(c2ncc(Br)cc2F)C1 682239339 MWIHRDMPHRVMAU-VIFPVBQESA-N 352.229 1.501 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)c(F)c1 40086484 HJNGNOJILDVIEH-CQSZACIVSA-N 361.417 1.616 0 40 FDAB COCCOCCCNS(=O)(=O)c1ccc(OCCOC)c(C)c1 40087745 IKIUYRJAANUDSJ-UHFFFAOYSA-N 361.460 1.352 0 40 FDAB COC(=O)C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 40037431 YWAYRPXSKRWZKE-INIZCTEOSA-N 368.393 1.861 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)[C@@H]1C 8346151 XJRRQFXQOMNVDG-JTNHKYCSSA-N 364.398 1.905 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898498 CCMXRPHHMGACKM-CQSZACIVSA-N 354.472 1.380 0 40 FDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@H](C)C(=O)O)cc1 2948679 FKQOCJPOGWADSB-UXEDPAHQSA-N 358.350 1.648 0 40 FDAB CN(C(=O)COC(=O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 3449989 VXTVFAYPKVHWTD-SNVBAGLBSA-N 363.794 1.281 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1C 102398019 YYYUBVWMTJOBPV-OKILXGFUSA-N 360.410 1.543 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 8274199 FUORFYNICSOXKM-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)c2ccccc2O1 41785238 VRAQBJWUAQVOPV-ROUUACIJSA-N 365.389 1.720 0 40 FDAB CS[C@@H](C)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53743583 QVMNEUOBMUWPNM-ZDUSSCGKSA-N 353.463 1.732 0 40 FDAB CN(Cc1ccco1)C(=O)COC(=O)Cn1cnc2ccccc2c1=O 22708786 KBBBJFNRBVNLHK-UHFFFAOYSA-N 355.350 1.191 0 40 FDAB Cc1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C 104265627 HKPCVWXXAVYXIP-DZKIICNBSA-N 372.469 1.921 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 100781633 ISUQCQFSRIVKHU-OWYFMNJBSA-N 369.506 1.508 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nn(C)c(=O)c2ccccc12 105657882 JDMLFRLXFZMHCH-KCXAZCMYSA-N 369.421 1.880 0 40 FDAB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)Nc1ccc(Cl)cn1 54991635 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QWJOUPDAXUICTA-ZDUSSCGKSA-N 369.425 1.228 0 40 FDAB COc1ccc(F)cc1[C@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58230531 UBKHNYLINATAKD-CMPLNLGQSA-N 361.460 1.932 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 10374224 YPVPPNBHHUXHOK-UHFFFAOYSA-N 359.879 1.684 0 40 FDAB NC(=O)COc1ccc(C(=O)NCCOc2ccc3c(c2)CCC3)cc1 58326767 XJDVCGJRSXOVOU-UHFFFAOYSA-N 354.406 1.848 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCCN(C(C)=O)CC2)cc1 28694894 KAMCBSVHDPRUAK-QGZVFWFLSA-N 364.442 1.157 0 40 FDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1ccncc1 2471670 KARBJVOMJQCTIZ-CQSZACIVSA-N 368.271 1.415 0 40 FDAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3435658 PKXCJQZVYXFROU-LJQANCHMSA-N 353.378 1.632 0 40 FDAB Cc1ccc(CN(C)C(=O)Cn2nnn(-c3ccccc3)c2=O)c(C)c1 12997036 MYXBCRZEHXCLDE-UHFFFAOYSA-N 351.410 1.704 0 40 FDAB COc1ccc([C@@H](CC(=O)O)NC(=O)Cn2nnc3ccccc32)cc1 13427216 HHAXXHVRODMMOU-OAHLLOKOSA-N 354.366 1.772 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCc2ccccc2)n1 13930232 ZFZKHESDNVCUTD-UHFFFAOYSA-N 360.439 1.841 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4495892 LSNRCEHPMWZTCJ-ZDUSSCGKSA-N 371.368 1.464 0 40 FDAB CCCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccccc2)n(C)c1=O 8724524 XDDJZBJXIHEFON-UHFFFAOYSA-N 366.425 1.703 0 40 FDAB NC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 18247573 BLDBUAOXUJPOJD-UHFFFAOYSA-N 358.423 1.478 0 40 FDAB O=C1NC(=O)[C@H](N(CCN2C(=O)CSC2=O)c2ccccc2)S1 14904411 SAKPFIFCGIBRHV-GFCCVEGCSA-N 351.409 1.498 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7675885 NTUNCUNWUOLKQK-UHFFFAOYSA-N 367.361 1.405 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCCN(c3nccs3)CC2)C[C@@H](C)O1 71830502 ALTNJGPPAOQPLT-RBSFLKMASA-N 352.504 1.680 0 40 FDAB CCCCN(CCO)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 72309647 LPPDQJFJVOQYBY-UHFFFAOYSA-N 359.448 1.693 0 40 FDAB O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)NC1CC1 84445168 JGMIWXLDICDMOM-SNVBAGLBSA-N 356.831 1.828 0 40 FDAB Cc1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[C@@H]2CCCOC2)o1 95443607 MBZMDWNZAWMOLX-OAGGEKHMSA-N 364.442 1.715 0 40 FDAB O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944823 WGHRJCBWOITSRO-UHFFFAOYSA-N 367.452 1.571 0 40 FDAB Cn1cc(-c2ccccc2CNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cn1 551260228 YHHINTGVMWTFGM-QGZVFWFLSA-N 373.478 1.918 0 40 FDAB CCN(CC)C(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316641 GKHSPLMMLOZALU-UHFFFAOYSA-N 361.417 1.761 0 40 FDAB CC(C)CNC(=O)c1nnc2n1CCN1CCN(CC3CCCCC3)C[C@H]21 306140131 ULGJILZGYIIYPE-QGZVFWFLSA-N 374.533 1.917 0 40 FDAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36359186 QDMOCLNCSZSINI-INIZCTEOSA-N 359.382 1.166 0 40 FDAB O=C(O)c1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl 530163762 GFBOXCRYSNAWMD-UHFFFAOYSA-N 358.847 1.648 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(OC)c1 32081874 JUCJDQVZDXYGRX-UHFFFAOYSA-N 350.396 1.912 0 40 FDAB COC(=O)c1ccc(CN2CCN[C@H](C)C2)c(I)c1 39951865 MSCBSIOSWYRFPK-SNVBAGLBSA-N 374.222 1.872 0 40 FDAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 72325118 ZAMZWXZDJVKOLO-CQSZACIVSA-N 373.413 1.934 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3ccncc3)CC(=O)N1CC2 72342188 ZQLRVDAKCITBSH-INIZCTEOSA-N 367.405 1.681 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326636 HRMDKELYZWLIOK-ORAYPTAESA-N 359.426 1.431 0 40 FDAB CCS(=O)(=O)[C@](Br)(I)[C@H](C)O 96521162 LYTSPHYFTSMJDL-CRCLSJGQSA-N 357.007 1.286 0 40 FDAB NC1(CNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C2CC3CC(C2)CC1C3 577942782 UEYMVEMMZXQGBH-GWBCLGLKSA-N 360.502 1.593 0 40 FDAB O=C1N(Cc2cccnc2)CC12CCN(S(=O)(=O)c1ccccc1)CC2 96202879 UBAOKQGJXYSNSF-UHFFFAOYSA-N 371.462 1.895 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cscn2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96209301 IBPUTPBORJCLSF-USXIJHARSA-N 358.467 1.900 0 40 FDAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CC[C@]2(O)CCCC[C@H]2C1 583652527 SQBJNHAMLRAQMU-KPZWWZAWSA-N 373.482 1.980 0 40 FDAB CCCCN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000175 CRCXHMHJUJSIBO-LSDHHAIUSA-N 356.875 1.954 0 40 FDAB CN(CC(=O)N1CCOC[C@@H]1CCc1cnccn1)Cc1cccnc1 257211011 BXCBTRHZBVTEMH-SFHVURJKSA-N 355.442 1.164 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 257298723 RMZUMOCTEJTWEC-CQSZACIVSA-N 363.425 1.680 0 40 FDAB COc1ccc(C)cc1CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 257312310 UNIAZHHCILVESD-LJQANCHMSA-N 356.426 1.094 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccccn3)CC2)CC1 257248044 JBUFBHRHGFLSSK-HXUWFJFHSA-N 374.485 1.039 0 40 FDAB Cc1ncccc1C(=O)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257208518 BMMLPTLNDXBYPE-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Cc1cccc(O[C@H](C)CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 266517921 HJXLJTIQLANVRW-KGLIPLIRSA-N 355.460 1.095 0 40 FDAB COCCN1C(=O)C[C@H](C(=O)NCC(C)(C)C2CC2)[C@H]1c1nccn1C 1615546432 HAVIBDMZGQWQCJ-HOCLYGCPSA-N 362.474 1.509 0 40 FDAB NCCc1cnc2c(C(=O)N[C@H]3CCCN(c4ccccc4)C3)cnn2c1 1122004437 NGUCZAQLHWYJEL-INIZCTEOSA-N 364.453 1.629 0 40 FDAB COc1cccc([C@H](C(=O)O)N2CCn3c(nnc3C(F)(F)F)C2)c1 634691306 DWHVCSWZVRVAKB-GFCCVEGCSA-N 356.304 1.947 0 40 FDAB C[C@@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nc(Cc2ccccc2)no1 1621909438 KRSJMIOFUOFNKY-KCPJHIHWSA-N 368.397 1.439 0 40 FDAB O=C(N1CCCC1)[C@@]1(O)CCCN(c2nccn3nc(C4CCC4)cc23)C1 631268511 HJJRJUPSTWRHBZ-HXUWFJFHSA-N 369.469 1.951 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccccc1S(C)(=O)=O 665647662 FUTFETISYXZRMB-KRWDZBQOSA-N 372.446 1.684 0 40 FDAB CCn1cc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)cn1 390829305 DKIBCLYLJQNTOA-UHFFFAOYSA-N 353.342 1.866 0 40 FDAB COC[C@@]1(CC(=O)NCc2ccccc2Cl)CN(C(C)=O)CCO1 585280177 BYBRSRVVBGWWNN-QGZVFWFLSA-N 354.834 1.610 0 40 FDAB CCCS(=O)(=O)N1CCn2cc(CC(=O)N3CCCCC3)nc2[C@H]1C 585097943 PNUVGSWHPOJIHB-CQSZACIVSA-N 368.503 1.555 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2 585102458 UPRBSHVJJXBFGJ-OAHLLOKOSA-N 361.442 1.971 0 40 FDAB Cc1nc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)oc1C 66409663 VWXBDVAMTHKZMJ-UHFFFAOYSA-N 354.288 1.767 0 40 FDAB Oc1nnc([C@H]2CCCN(c3ncc(I)cn3)C2)o1 555159168 KOXMRCMFGAZOCT-ZETCQYMHSA-N 373.154 1.554 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2c[nH]c3cccc(OC)c23)C1 644038670 PTXOWHRTNNJOLZ-LJQANCHMSA-N 359.426 1.209 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4cc(C(F)(F)F)ncn4)C3)nn12 585606852 ICJPJXPPCRKMKA-UHFFFAOYSA-N 364.335 1.567 0 40 FDAB Cc1c(CC(=O)NC[C@@H](O)c2ccccc2)c(=O)oc2cc(O)cc(O)c12 12887336 QFWZONPIXDBMRS-MRXNPFEDSA-N 369.373 1.905 0 40 FDAB biogenic Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)Cc1nonc1C)CC3 13226786 CCJSZYQONGGSIG-UHFFFAOYSA-N 359.411 1.085 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)n1 19574264 PGMDVNQNYORKDC-RZQQEMMASA-N 366.421 1.703 0 40 FDAB COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 19593448 HYGGVRPOOKVUAH-LPHOPBHVSA-N 363.433 1.841 0 40 FDAB CN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O 19700008 UHOKRIGKCYNLGZ-UHFFFAOYSA-N 374.460 1.806 0 40 FDAB CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)O 100777685 TUWPUOCSWFVTOY-BARDWOONSA-N 355.479 1.118 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)N1CCc2c(Cl)cc(F)cc2C1 644490399 MLEVYMGEUAAPBO-OAHLLOKOSA-N 354.809 1.737 0 40 FDAB CN1C(=O)C[C@@H](CNCc2ccc3c(c2)OCCO3)[C@@H]1c1nccn1C 570588825 WPWZJHZVEAOJDJ-KBXCAEBGSA-N 356.426 1.501 0 40 FDAB Cc1c(Cl)c(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)nn1C 579099083 UQFPDJBCAVTVDQ-LLVKDONJSA-N 359.821 1.751 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888913640 IZWLCODMSQBCFX-OKILXGFUSA-N 366.450 1.932 0 40 FDAB COc1cc(OC)nc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889118414 GBJFHVDWOLTTDV-LBPRGKRZSA-N 352.460 1.286 0 40 FDAB Cc1cc(CN2C[C@@H](C(=O)NCC3CCOCC3)C[C@H]3OCC[C@H]32)n[nH]1 1565541840 AIZWNBHYVTVFMF-CGTJXYLNSA-N 362.474 1.240 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1COC2(CCCCC2)O1 4941234 OXQIULJVCCKZJE-CYBMUJFWSA-N 358.394 1.475 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1F 9827345 XQSQLVKURNCSGH-UHFFFAOYSA-N 370.381 1.130 0 40 FDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(c2ccc(C)nn2)C1 2055751295 GDGKBSAYNSXNAI-FQEVSTJZSA-N 369.469 1.999 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134171 DDANXNAYGXXBRN-UHFFFAOYSA-N 366.400 1.759 0 40 FDAB O=S(=O)(NCc1cn(-c2cccnc2)nn1)c1ccc(F)c(Cl)c1 575618398 MOBAVBYHODVDPM-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Br)cc1 40088515 KXJWWBCAASAPBQ-CQSZACIVSA-N 368.275 1.666 0 40 FDAB Cc1cccc(OCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)c1 40139482 RTOVTCBBNSLZCK-UHFFFAOYSA-N 373.457 1.458 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2ccccn2)CC1 31815017 RIMAGRPBZQXBAP-UHFFFAOYSA-N 366.343 1.611 0 40 FDAB CC(C)CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32072045 SIOJHEMYBBPTDL-OAHLLOKOSA-N 367.471 1.771 0 40 FDAB COCCn1c(C(=O)NCc2c(C)noc2C)nc2ccccc2c1=O 32088045 GFGRZHAFTFREIW-UHFFFAOYSA-N 356.382 1.578 0 40 FDAB O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1 2622353 VYKIYHKSOMKAQH-UHFFFAOYSA-N 353.806 1.913 0 40 FDAB aggregator CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 4249169 JKSYOPOBPPNIAG-UHFFFAOYSA-N 367.409 1.336 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 6238287 GIKNIQIGNMWPSX-UHFFFAOYSA-N 353.382 1.028 0 40 FDAB C[C@H](NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)O 6681679 AGGYNAOMOXGEGS-VIFPVBQESA-N 354.409 1.752 0 40 FDAB O=C(NCc1nnc2ccccn12)C1CCN(C(=O)c2cccs2)CC1 7272943 SMNRJRINKLWRBJ-UHFFFAOYSA-N 369.450 1.959 0 40 FDAB Cn1ncc2c(=O)n(C[C@H](O)COc3ccc4ccccc4c3)cnc21 21491907 VHTXQFAKRDOZHE-HNNXBMFYSA-N 350.378 1.723 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 32817845 URWVABHBQAPVLW-UHFFFAOYSA-N 373.453 1.741 0 40 FDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1/sccn1C)C2=O 102450790 PQPIEMSZVFXYAJ-YZWGZOLSSA-N 364.471 1.651 0 40 FDAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2cncn2)cc1 9613684 HGQUJXSBOADGPE-ZDUSSCGKSA-N 360.381 1.734 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CCC(N)=O)CC2)cc1 22056456 YPEQSCQDBMLQPY-AWEZNQCLSA-N 353.488 1.382 0 40 FDAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 7988823 LLTHCLQVVLYZBX-UHFFFAOYSA-N 360.801 1.864 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 8086936 GKGYCQDBDQFSDW-MLGOLLRUSA-N 350.440 1.378 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2cc(Br)ccc2O)n1 12451406 NNQFOMLYDSPFOO-UHFFFAOYSA-N 368.191 1.345 0 40 FDAB O=C(NCCNC(=O)c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1 22470310 PBAZQQWYHWJUCP-UHFFFAOYSA-N 370.796 1.736 0 40 FDAB CCOC(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2C1=O 57995919 YGVYQVWRIIKCAH-UHFFFAOYSA-N 372.299 1.237 0 40 FDAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)N1CCCC1 57490318 YEPGHNQQVLKLJB-UHFFFAOYSA-N 373.409 1.975 0 40 FDAB COCCN(CCOC)C(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 47654114 IEMBCAATOUPFFD-INIZCTEOSA-N 372.412 1.841 0 40 FDAB O=C(OCc1nnsc1Cl)c1ccccc1CN1C(=O)CNC1=O 23204128 LUOSNJPYIULSEF-UHFFFAOYSA-N 366.786 1.600 0 40 FDAB O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102329136 KZTOSAGJSYOPQE-BJDJZHNGSA-N 350.396 1.457 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21 106170996 RKSAACQWHMFBME-SQWLQELKSA-N 372.469 1.835 0 40 FDAB CC(C)[C@H](C(=O)Nc1nc(CC(N)=O)cs1)N1C[C@H](C)O[C@H](C)C1 106575758 NWCVBPYBVOYILS-UHIISALHSA-N 354.476 1.243 0 40 FDAB CCCCc1nnc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 23363068 VCZHPKLYCBDPRC-UHFFFAOYSA-N 353.448 1.930 0 40 FDAB COC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 8157085 FUXHZIBOKXKEOP-CYBMUJFWSA-N 350.440 1.659 0 40 FDAB COC(=O)CCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O 10028174 HLUIDVFGZZRBBH-AWEZNQCLSA-N 355.188 1.779 0 40 FDAB O=C(c1cnccn1)N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 58218120 ALXHTPXRYIIWSV-UHFFFAOYSA-N 362.389 1.934 0 40 FDAB C[C@H](COCC(F)(F)F)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl 58265206 AMQOWAVHORSACN-SSDOTTSWSA-N 374.768 1.685 0 40 FDAB O=C(CCNS(=O)(=O)N1CCc2ccccc2C1)NC1CCCCC1 58415742 NUNIBGONHNNSDI-UHFFFAOYSA-N 365.499 1.718 0 40 FDAB COc1ccccc1Oc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 28730458 MSNMXFHAZZFVIJ-UHFFFAOYSA-N 355.350 1.978 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)nn12 12870680 YMDGCFJCVJXDMZ-JTQLQIEISA-N 369.337 1.345 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 3520129 XOLDVHDFNQOCMX-UHFFFAOYSA-N 369.333 1.548 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(C3CCCCC3)n2N)C[C@@H](C)O1 13524795 BBFTWKNOGCCCIS-TXEJJXNPSA-N 353.492 1.768 0 40 FDAB Cc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1N1CCNC1=O 64083859 KLPKMLMIHZCSHC-UHFFFAOYSA-N 357.366 1.591 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccn3)[nH]c2=O)no1 64356113 UPOKTLACBCCGGT-NSHDSACASA-N 368.349 1.917 0 40 FDAB COc1ccccc1CCNC(=O)CNC1=NS(=O)(=O)c2ccccc21 17845242 JCDWAEQQSLGVTJ-UHFFFAOYSA-N 373.434 1.093 0 40 FDAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 8428658 JEDWSVKNFASERG-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1cccs1 4846599 DGWIISOLTRQYRT-SNVBAGLBSA-N 350.421 1.770 0 40 FDAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1 7262455 WMIQSLOUIHMGSZ-ZDUSSCGKSA-N 369.487 1.112 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(N(C)C)cc1 9421464 JASQFPCBIZTFRF-UHFFFAOYSA-N 352.398 1.050 0 40 FDAB C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1-c1ccccc1 71801212 BCQOACXRSDZSRP-YMXBGEKHSA-N 355.423 1.938 0 40 FDAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(Cc2ccccc2)c1 97012988 DBOJFGITUYNYJG-MRXNPFEDSA-N 372.454 1.645 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1C[C@@H]1C1CC1 84445289 ZPDOTAHXYXJLJZ-KGLIPLIRSA-N 370.496 1.431 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2 408706195 WYXGBKBZDZURLH-UHFFFAOYSA-N 354.428 1.584 0 40 FDAB Cc1cc(N(CCO)Cc2cccnc2)n2nc(C(F)(F)F)nc2n1 75148737 KSAUUPDCMCFUFT-UHFFFAOYSA-N 352.320 1.845 0 40 FDAB COc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c(C)c1C 408505704 XUSINKKQPXOZBN-YNEHKIRRSA-N 351.424 1.732 0 40 FDAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CCc4nncn4C3)n2)c[nH]1 550859341 ONMMCHDRQAKEEQ-SECBINFHSA-N 372.410 1.717 0 40 FDAB COc1c[nH]c(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1=O 524734400 BHACBJKXDFKGDA-UHFFFAOYSA-N 357.410 1.220 0 40 FDAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(OC)cc2)cc2c(O)nnc1-2 524733371 MBQVFFZJSWWCNJ-CQSZACIVSA-N 371.349 1.948 0 40 FDAB COCc1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)n[nH]1 524733006 LBJUFNOWIKUKIS-UHFFFAOYSA-N 355.354 1.471 0 40 FDAB NC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cn1 527984591 CVZYLVSXPQWAGQ-HNNXBMFYSA-N 361.833 1.625 0 40 FDAB CCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2cc(Cl)ccc21 181831988 BKLJVEGNWTVQKH-UHFFFAOYSA-N 363.845 1.737 0 40 FDAB CN1CC[C@H](c2nn(CCNC(=O)c3ccccc3)c3nccnc23)C1 72391610 ICNRMYBTNGBCCT-HNNXBMFYSA-N 350.426 1.675 0 40 FDAB NS(=O)(=O)c1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1 31903445 SGXRCJSREZVOMW-LLVKDONJSA-N 356.407 1.731 0 40 FDAB CCOc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cn1 225448151 ODLYUJINDCXKPL-CQSZACIVSA-N 357.414 1.630 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)c1 225514996 YTTADVSWWKVFCX-CHWSQXEVSA-N 354.410 1.445 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCOCC1 223940330 VAXJSCHRZWREOA-OAHLLOKOSA-N 356.444 1.099 0 40 FDAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cncn3C)no2)cn1 329431734 KRCVFBFLUOCARN-CYBMUJFWSA-N 355.402 1.961 0 40 FDAB Cc1cc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc12 195070599 JUFCZENSDOYADO-ZIAGYGMSSA-N 362.451 1.953 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1nccs1)C2 96050189 JTSSLRJUTFIOMI-SFHVURJKSA-N 371.466 1.378 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583618947 LNKPHGDQJDRKFN-GOSISDBHSA-N 359.430 1.315 0 40 FDAB COc1cccc(CN2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)c1 247892058 MZLCRCMWVFXJSQ-HNNXBMFYSA-N 354.472 1.225 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3cccc(Cl)c3)C2)CN1CC1CC1 247978441 WQMNRSOLGAEBGQ-QGZVFWFLSA-N 363.889 1.751 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]12 245227032 XBJPWUIUZSUXFV-LZDSYCOUSA-N 363.753 1.234 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3ccno3)c2)N1 257223456 DXLGXQAEOJDHAZ-QRTARXTBSA-N 356.382 1.711 0 40 FDAB C[C@H](C(=O)NCCCn1cccn1)n1cc(COc2ccccc2)nn1 257173210 GTFUMOPNBWTODC-OAHLLOKOSA-N 354.414 1.821 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)ccn1 257335936 YMMAOCOLHWDGGN-SFHVURJKSA-N 355.442 1.895 0 40 FDAB CS(=O)(=O)N1CCC[C@@]12CCN(CCc1ccc(F)cc1)C[C@@H]2O 257258722 KVFPDOHWDRWFSN-IRXDYDNUSA-N 356.463 1.229 0 40 FDAB CCN1CC[C@@H](NC(=O)NC[C@@H]2OCCN(CC)[C@H]2c2ccccc2)C1 661329803 QVKRTVOBHCRPBQ-QYZOEREBSA-N 360.502 1.842 0 40 FDAB O=C1C[C@H](C(=O)N2CCc3nc[nH]c3C2)CN1Cc1ccc2c(c1)OCO2 1775965371 WKJYATNXQBIRHR-ZDUSSCGKSA-N 368.393 1.072 0 40 FDAB NCc1cccc2c1N(S(=O)(=O)c1cnn([C@H]3CCOC3)c1)CCC2 624388560 ADHGIUZLVKQIIT-HNNXBMFYSA-N 362.455 1.445 0 40 FDAB O=S(=O)(C[C@@H]1COc2ccccc2O1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 641537446 XYKMHHDLFDVAJL-AJNGGQMLSA-N 353.440 1.249 0 40 FDAB Cc1nnc2c(N3CC[C@H](NC(=O)c4cccc(N(C)C)c4)C3)nccn12 390828936 CGWDGGSQOXHTRS-HNNXBMFYSA-N 365.441 1.507 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCc2nn(C)c3c2CCCC3)cc1 96099178 BGVDLVDJTVRJKP-UHFFFAOYSA-N 363.439 1.564 0 40 FDAB O=c1n(CN2CCN(c3ccc(F)cc3)CC2)nnn1-c1cccs1 52569290 KNTAPVQYPPWYPC-UHFFFAOYSA-N 360.418 1.409 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCc1cccc(NC(=O)C2CCCC2)c1 55832903 DXLVGXFEERAOEX-UHFFFAOYSA-N 371.437 1.971 0 40 FDAB O=C(c1ccco1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 54358041 QUYBJHLKYPALLL-UHFFFAOYSA-N 366.303 1.699 0 40 FDAB CCn1cc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c(C)n1 1615126847 NQMOJWJXLHUFPA-HXUWFJFHSA-N 368.437 1.860 0 40 FDAB O=C1NC(=O)[C@@H]2[C@H]1[C@H](C(=O)c1ccc(F)cc1)N1N=Cc3ccccc3[C@@H]21 5156742 GXYUOZUBQRXXKS-LTIDMASMSA-N 363.348 1.670 0 40 FDAB CCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2OC)n(C)c1=O 5252125 SVWKIKMXMXVPPB-UHFFFAOYSA-N 355.398 1.385 0 40 FDAB COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)N3CCOCC3)CC1)O2 12113658 SHHOGGWBQJXPLB-UHFFFAOYSA-N 360.410 1.947 0 40 FDAB Cc1noc(C)c1CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12239341 IKZYFLHUXSNICV-UHFFFAOYSA-N 363.439 1.939 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)CCc4ccccc4)CC3)ncnc21 13533399 NTXBZDMRAJGGDU-UHFFFAOYSA-N 365.441 1.523 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13572168 YRSZYPUSIVCZEE-RXPJKXIYSA-N 355.438 1.862 0 40 FDAB CC1=C(C(N)=O)C(c2ccc(Br)cc2)C(C(N)=O)=C(C)N1 19418614 MPRFHMCQIVXIGK-UHFFFAOYSA-N 350.216 1.655 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 19558995 KDBOKQOQCGIDQG-HNNXBMFYSA-N 366.381 1.430 0 40 FDAB CNC(=O)c1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)nc1C 19700748 UFJGJJZCEZYUQG-UHFFFAOYSA-N 362.455 1.313 0 40 FDAB Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)no2)cc1 19715057 SCEYUHCAZCAEJZ-UHFFFAOYSA-N 368.393 1.806 0 40 FDAB N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2575127 JMCOUWKXLXDERB-WMZOPIPTSA-N 351.406 1.850 0 40 FDAB endogenous,in-man CO[C@@H]1CN(C(=O)COc2ncccn2)C[C@]12C[C@@H](c1ccccc1)CO2 643587718 KGCKZNPSNNYHFY-MBOZVWFJSA-N 369.421 1.656 0 40 FDAB CCOC(=O)c1c(C(F)(F)F)nc2n1CCN(C(=O)c1ccn(C)n1)C2 12221244 RWCVASIEZHMAQZ-UHFFFAOYSA-N 371.319 1.468 0 40 FDAB O=C(C[C@@H]1COc2ccccc2O1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888865621 DWPMJCJNMYWTEZ-OWCLPIDISA-N 366.421 1.601 0 40 FDAB Cc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(N2CCCC2)n1 1889205668 WOIKOWAFIKCJPD-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB Cn1cccc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)c1=O 1614929293 GWOPECBBWAJTMC-FQEVSTJZSA-N 366.421 1.440 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5cc(C)ncn5)C[C@@H]4C3)ncnc21 2087026224 WFJYTKZJVVLQFZ-OKILXGFUSA-N 350.430 1.517 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(N)c(S(N)(=O)=O)c2)c(C)c1 6784548 ZCXWPHSZBSDOJS-UHFFFAOYSA-N 355.441 1.334 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1C 2055796023 LSFJBLMFCXKCBB-MRXNPFEDSA-N 372.469 1.488 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CC(F)(F)C1 2055738859 WELSCLWADFNGNI-NSHDSACASA-N 353.369 1.929 0 40 FDAB CC(=O)N1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 24710490 TUEYKOKVEKSBEF-UHFFFAOYSA-N 350.362 1.948 0 40 FDAB O=C(NCc1cccc(Cl)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 8273937 VVEVQGOFLAZNRE-UHFFFAOYSA-N 351.815 1.454 0 40 FDAB CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 60392274 WSRZESRIOAKHDP-QGZVFWFLSA-N 350.422 1.966 0 40 FDAB O[C@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@H](COCc2ccccc2)O[C@H]1O 4789440 IUJRWTGQTYKGLM-LJDSDSDDSA-N 360.406 1.228 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1 7986906 ILBNYKWSDLNESF-UHFFFAOYSA-N 353.444 1.326 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccsc2)C[C@@H](C)O1 32914944 LHXDXWUGVAKGCG-CHWSQXEVSA-N 360.501 1.236 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108535882 XWTHOGHFPNJXRZ-OALUTQOASA-N 352.438 1.521 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)C1 100128833 YWMLTYUQXPFEHA-YYIAUSFCSA-N 360.502 1.739 0 40 FDAB C[C@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N1CCNC1=O 22041854 BWDQOQCXQVUCEU-VIFPVBQESA-N 366.374 1.820 0 40 FDAB NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 794242 ZSKFIODCNQSGOI-LBPRGKRZSA-N 371.368 1.681 0 40 FDAB Cc1cccc(NC(=O)CSCC(=O)NCCCN2CCOCC2)c1 22688124 NGXBJPUZRATLNS-UHFFFAOYSA-N 365.499 1.505 0 40 FDAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(c2cnccn2)CC1 25342540 JIHJPFXYFXNVRT-GOSISDBHSA-N 368.437 1.997 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)C3CCOCC3)CCC2=O)cc1C 89830820 UOJYSFVUKQDDKW-IEBWSBKVSA-N 374.481 1.950 0 40 FDAB O=C(Nc1ccn(CCc2ccncc2)n1)c1cccc(-n2cnnn2)c1 58183718 DDCSVDUFZRSWIR-UHFFFAOYSA-N 360.381 1.749 0 40 FDAB Cc1ccc(C(=O)Nc2nnn[nH]2)cc1S(=O)(=O)N1CCCCCC1 10386619 SUFVHLFUXYMOJE-UHFFFAOYSA-N 364.431 1.325 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)N1CCNC1=O 22380200 BXAADUQEZJFFLC-LLVKDONJSA-N 364.357 1.995 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)NCc1ccco1 3318306 ISJKBFXCWXHZKN-LJQANCHMSA-N 353.378 1.375 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1)c1cccs1 36394006 QTHFAZKQHIXEEP-CYBMUJFWSA-N 358.423 1.810 0 40 FDAB COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 28388798 SSISYZKVUQIEEO-CYBMUJFWSA-N 356.378 1.892 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCCc3cccc4cccnc34)cnc21 12886302 MQZCUEDCVPAFGT-UHFFFAOYSA-N 362.393 1.037 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 23184310 OIWMJKZNOCSZSY-LBPRGKRZSA-N 368.389 1.806 0 40 FDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 12942086 PSBXDDIXCNKGDP-PHIMTYICSA-N 350.444 1.850 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCOC 13591654 XOBRWAABCIUILE-CJNGLKHVSA-N 373.457 1.743 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)c1ccco1 49544748 CVPTVECFIIOJCB-HNNXBMFYSA-N 368.397 1.218 0 40 FDAB CCCN1C(=O)C(=O)N(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O 14244841 FWTQKRHEEXHQCJ-CQSZACIVSA-N 372.425 1.495 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 5450068 IJOQTQCOJOLRRR-GOSISDBHSA-N 361.398 1.345 0 40 FDAB COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@H]2CCCO2)cc1 4687297 APNUVAKKGLJMJD-OAHLLOKOSA-N 362.455 1.972 0 40 FDAB C[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1c(=O)oc2ccccc21 14519511 IUJDKEUUDILEIB-LLVKDONJSA-N 364.365 1.985 0 40 FDAB CC1CCN(c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2C2CC2)CC1 8726470 UVGORPKCLSCUDC-JTQLQIEISA-N 352.464 1.525 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CCCN2C(=O)CN(C)C2=O)cc1C 7001988 NVFLIJAUNOGBAO-UHFFFAOYSA-N 361.398 1.459 0 40 FDAB COc1ccccc1OCC(=O)NC[C@H](c1ccco1)N1CCOCC1 15831801 DMJUXXYTWAYZGH-OAHLLOKOSA-N 360.410 1.857 0 40 FDAB CC(C)CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 7778208 SSDJVRAJULZPHH-SJKOYZFVSA-N 352.435 1.359 0 40 FDAB Cc1ccc(OCc2nc(C(=O)OCc3nc(N)nc(N)n3)cs2)cc1 16160460 GBANQZAZFTVCRJ-UHFFFAOYSA-N 372.410 1.737 0 40 FDAB NC(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 16811784 MPDWUQHBVIGYSA-KRWDZBQOSA-N 352.390 1.877 0 40 FDAB CCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@@H]2CS(=O)(=O)C[C@@H]21 9304495 WHMLZMRRASSFRG-NWDGAFQWSA-N 354.453 1.050 0 40 FDAB COC(=O)c1sc(NC(=O)C2(n3cnnn3)CCCCC2)nc1C 79476459 ONGYAWOSJMVMCT-UHFFFAOYSA-N 350.404 1.523 0 40 FDAB CN1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1cccnc1)CC3 306137984 RLSWFPLGEXAACX-UHFFFAOYSA-N 365.481 1.465 0 40 FDAB O=C([C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F)N1CCCN(c2cccnn2)CC1 527487274 GYUGSMQDSXORPL-GBOPCIDUSA-N 370.375 1.871 0 40 FDAB Cc1cccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 30752575 KFWWMGGTYJJLMV-QGZVFWFLSA-N 360.435 1.838 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)c2sccc2-n2cccc2)CC1 32771077 IHLFXHMIOLTVOL-UHFFFAOYSA-N 353.469 1.693 0 40 FDAB CCCS(=O)(=O)Nc1cc(NC(=O)C2(C(=O)O)CC2)c(F)cc1F 565044806 XQZGDJXSNYPHAP-UHFFFAOYSA-N 362.354 1.920 0 40 FDAB COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 77266169 OCCDLAZGIMDWHX-MRXNPFEDSA-N 366.421 1.852 0 40 FDAB biogenic,in-vitro S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1CCN1CCOCC1 223124442 KHAQVLQRZOYROU-DLBZAZTESA-N 358.467 1.979 0 40 FDAB CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCN(C(N)=O)CC2)cc1 332229113 NSTYRAZZACBOFA-UHFFFAOYSA-N 368.459 1.065 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231644793 VLEIQZZQYNRKKM-UHQDVWGKSA-N 364.829 1.927 0 40 FDAB Cc1nnc(NC(=O)CCN2C(=O)C[C@](C)(c3ccccc3)C2=O)s1 94993112 YUMGODYZRMVBAP-QGZVFWFLSA-N 358.423 1.892 0 40 FDAB Cc1ccc(C(=O)N2CCCn3nnc(CN4CCOCC4)c3C2)cc1C 96259613 GWYKKNJWCIGCOB-UHFFFAOYSA-N 369.469 1.773 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@@H]21 96043501 MLROSNFXGCHFDL-MGPQQGTHSA-N 359.455 1.799 0 40 FDAB CCn1nccc1-c1cnc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257321927 WDWHSCYRLRGNAX-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(Cc3nc4ccccc4n3C)C2)[nH]1 257247066 IXGFQKRCVIZSSQ-AWEZNQCLSA-N 352.442 1.922 0 40 FDAB CCOc1cccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 585655833 XXHGIMNXPVRUBW-CQSZACIVSA-N 370.409 1.892 0 40 FDAB O=C(c1cccc(NCc2cnc3ccnn3c2)c1)N1CCC[C@@H](O)C1 589595467 XNOQYSKQLCTLCS-QGZVFWFLSA-N 351.410 1.938 0 40 FDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1CCCn2nccc21 636380092 RETWDQJDVBJMBD-GFCCVEGCSA-N 373.804 1.786 0 40 FDAB Cc1cncc(CCNC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 661122758 HYXYYGFXJSQTKA-MAUKXSAKSA-N 367.453 1.816 0 40 FDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585292399 LROJYVASRBULJI-MBVDDHJVSA-N 367.457 1.752 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)n(C)n1 585095069 CQRCJGKIPFSPMY-KRWDZBQOSA-N 373.501 1.657 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NS(=O)(=O)Cc2ccc(C)c(C)c2)n[nH]1 685941086 QMWLZDBQWUOQRX-LSDHHAIUSA-N 350.444 1.680 0 40 FDAB O=C(O)CCCCNC(=O)c1cccc(C(=O)NCCCCC(=O)O)c1 5944149 HQQAIXHORLSHIA-UHFFFAOYSA-N 364.398 1.656 0 40 FDAB NC(=O)c1nc(-c2ccc(O)cc2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114159 SBJYHCJDTYJCCW-UHFFFAOYSA-N 361.361 1.639 0 40 FDAB Cn1nccc1C(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 12337201 ZANZHZYPRAZHAQ-UHFFFAOYSA-N 355.394 1.926 0 40 FDAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)on1 12763537 ZZUBTOXWSDVBRF-UHFFFAOYSA-N 365.411 1.565 0 40 FDAB Cc1cc2nc(COC(=O)CNC(=O)c3ccc(F)cc3)cc(=O)n2o1 15733921 ZKTYJBFRDCKFNV-UHFFFAOYSA-N 359.313 1.208 0 40 FDAB CCOC(=O)c1ccc(NC(CC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 16956365 XQUDLJWDZYLQSV-UHFFFAOYSA-N 359.382 1.990 0 40 FDAB CC(=O)N1CCN(c2cc(CCNC(=O)C(C)(C)C)nc(C3CC3)n2)CC1 19017839 WLRLUZRKFOASKI-UHFFFAOYSA-N 373.501 1.727 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)C2CN(Cc3ccccc3)C2)CC1 19287840 BTJAHVPDHJSUDW-UHFFFAOYSA-N 368.481 1.677 0 40 FDAB Cn1c(C(=O)Nc2ccccc2CN2CCCCCC2)cc(=O)n(C)c1=O 19288716 VMPXXKIZXNUJDM-UHFFFAOYSA-N 370.453 1.712 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 19460689 MZOGZDBHDYRXRZ-NRTGNBEESA-N 372.352 1.801 0 40 FDAB CN1CCN(c2cc(C(=O)NCC(C)(C)N3CCCCC3)ccn2)CC1 19662581 KRTCNUNWOBKQDK-UHFFFAOYSA-N 359.518 1.828 0 40 FDAB O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@@H]1CCCO1 19697824 LSAAVZLDQFYPHL-INIZCTEOSA-N 373.457 1.125 0 40 FDAB O=C(c1ccc([C@@H]2CCCN2C(=O)c2csnn2)nc1)N1CCOCC1 19708214 WYFXLVBZYHMXCR-HNNXBMFYSA-N 373.438 1.383 0 40 FDAB CCOc1ccc(N2CCn3c2nnc(C(=O)NC2CCCC2)c3=O)cc1 12234089 HQIHBRGUVNLAMB-UHFFFAOYSA-N 369.425 1.861 0 40 FDAB COCCn1nnc2c1CCN(C(=O)c1cnc3ccccc3c1C)C2 554517882 XTKZSPUJQAZGQZ-UHFFFAOYSA-N 351.410 1.980 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2c[nH]c3ccccc23)NC(=O)N[C@@H]1C 5400692 ZILXXHBYMCBJGN-LLVKDONJSA-N 371.393 1.772 0 40 FDAB O=C1c2cccc3cccc(c23)C(=O)N1NC(=S)NC[C@H]1CCCO1 6602305 FPAXMAVKWFGMLP-GFCCVEGCSA-N 355.419 1.994 0 40 FDAB CCc1c(C)ncnc1N1CCN(Cc2nnc(C3CCOCC3)o2)CC1 1888850003 ISKAGAJGSWATSJ-UHFFFAOYSA-N 372.473 1.947 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)c1F 1888854674 PGQGFPDIHYENRG-UHFFFAOYSA-N 357.433 1.822 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)nc5ccccn45)C[C@@H]3C2)n1 1888879194 JOBCDHOIKTWAPS-HZPDHXFCSA-N 362.437 1.950 0 40 FDAB Cc1cc(N2CCN(Cc3cccnc3)CC2)nc(N2CCOCC2)n1 1889108799 RHLBOXKGEQEOGU-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB COC(=O)[C@@H]1C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1ncn(C)n1 1565549095 PTUPHESSZQRCBR-HOTGVXAUSA-N 371.441 1.093 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250860 IWYXSVIAFLIHFC-LBPRGKRZSA-N 355.398 1.886 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ncccn2)C1 2055751066 DBYKJZZQAGEKSX-IBGZPJMESA-N 353.426 1.652 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1cccs1 23106690 OGKZUBDXHLQZLY-ZDUSSCGKSA-N 360.439 1.205 0 40 FDAB CC(=O)NCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225726565 JBFUADBINQWWBA-UHFFFAOYSA-N 359.352 1.025 0 40 FDAB O=C1CN(c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cn2)CCN1 40089075 PLKQDZLVFHZJKM-AWEZNQCLSA-N 352.394 1.208 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@H]2CS[C@]3(C)CSCC(=O)N23)cc1 40146486 GTJJMDOYXVYCAY-MLGOLLRUSA-N 366.464 1.819 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CCO1 50850283 DJKNUIULNWDSFI-MRXNPFEDSA-N 356.353 1.383 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 8536504 NCDNXNAVAGPGNP-FOIQADDNSA-N 373.453 1.991 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)c1 8392481 CSRRFJOTCYZSSG-SMDDNHRTSA-N 355.412 1.578 0 40 FDAB O=c1c(NCc2cccc(F)c2)c(N2CCN(c3ccccn3)CC2)c1=O 101711157 NDDRJAAFBGQQGW-UHFFFAOYSA-N 366.396 1.755 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccc(C)c(NS(C)(=O)=O)c2C)no1 4148016 XUSHXLPQFKGICD-UHFFFAOYSA-N 359.429 1.772 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3ccccc23)c1 8381965 SGUVAVFUPGOUMF-UHFFFAOYSA-N 358.379 1.295 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccc(F)cc1F 32894331 XCSJJHYYIQHAER-MRVPVSSYSA-N 360.320 1.391 0 40 FDAB CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 32910634 GLVLBVJJDIORIK-ZDUSSCGKSA-N 374.846 1.172 0 40 FDAB C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 8328421 JGZDOFXDTRUWBB-SECBINFHSA-N 359.407 1.915 0 40 FDAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CCNc3ncccn3)CC2)C1 52899708 FETYMPSVGLYMHV-OAHLLOKOSA-N 359.474 1.776 0 40 FDAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOC2=O)cc1 53560447 VKZSTVMCOMEGPS-UHFFFAOYSA-N 374.418 1.847 0 40 FDAB C[C@@H]1C[C@H](OC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(=O)O1 8328210 TVAITNYHYTVWEX-KCJUWKMLSA-N 361.803 1.451 0 40 FDAB Cc1ccc([C@H](CNC(=O)N2CCOC[C@@H]2C2CC2)N2CCOCC2)o1 89888714 MCZKNTSOTDQXRG-DLBZAZTESA-N 363.458 1.782 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23078574 KPLWOMMUDDEPFR-CXAGYDPISA-N 365.430 1.677 0 40 FDAB CCCn1ccnc1SCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 23263646 MICBQFIBHPHKON-UHFFFAOYSA-N 368.484 1.980 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 101016551 OVBANGPEBYGADX-WCBMZHEXSA-N 371.136 1.377 0 40 FDAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 24051625 KKUBOPUHRSOOHY-CYBMUJFWSA-N 367.448 1.892 0 40 FDAB CO[C@@]12C=C[C@]3(C[C@@H]1CO)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 100393811 KSIZHHFJCGTAKZ-BVBXRQLNSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro Cc1ccccc1C(=O)/C=c1/s/c(=C/c2ccc(O)cc2)c(=O)n1C 105632406 KAKUZLHMEMQQAC-GDAWTGGTSA-N 351.427 1.953 0 40 FDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCc1nc(N)nc(N(C)C)n1 24893168 GQEHWNCYQURDMQ-JTQLQIEISA-N 365.821 1.992 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCC2(c3ccccc3)CC2)CC1 26310357 CSOCUAIAZZFOCT-UHFFFAOYSA-N 365.499 1.832 0 40 FDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 35441173 CKPCUNOVZZSCEV-MOPGFXCFSA-N 371.481 1.235 0 40 FDAB Nc1nccnc1C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 58183024 CHVIOYDRBOKLTQ-JTQLQIEISA-N 356.304 1.247 0 40 FDAB CCN1C[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1=O 58294224 KEKGWRIAEUANJV-AWEZNQCLSA-N 363.845 1.493 0 40 FDAB COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)cc1F 58378307 UPBFNVBQXSYRRI-CQSZACIVSA-N 373.432 1.769 0 40 FDAB CCCn1nc(C(=O)NCCC(=O)N2CCCC2)c2ccccc2c1=O 17799273 SZPAARFRUJOVIF-UHFFFAOYSA-N 356.426 1.549 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1 11037899 JOUIKSTYDUIFNF-UHFFFAOYSA-N 368.455 1.720 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C 48274453 HGELCMVYCUDCKE-JTQLQIEISA-N 362.473 1.316 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCc2ccccc2C1 3445538 MPFJEXFBSJCFMX-UHFFFAOYSA-N 369.446 1.700 0 40 FDAB COc1ccccc1CNC[C@@H]1Cc2c(nn(C)c2C(=O)NC(C)C)CO1 306135119 OILIVYXEZJMPMS-HNNXBMFYSA-N 372.469 1.798 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cn1nc(O)c2ccccc2c1=O 13042516 LJQVKQQTRNPHAE-BETUJISGSA-N 373.409 1.435 0 40 FDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 49605851 CCWTYDALPMNXFE-IBGZPJMESA-N 371.481 1.746 0 40 FDAB COc1cccc(-c2nnc(SCC(=O)NC(=O)NC3CC3)n2C)c1 8724121 WHXMPGUSWKXEIJ-UHFFFAOYSA-N 361.427 1.571 0 40 FDAB CCOC(=O)C1=C(COc2ccc3ccc(=O)oc3c2)NC(=O)N[C@H]1C 5230711 IUGDRCZPDBCJKF-JTQLQIEISA-N 358.350 1.690 0 40 FDAB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1Cl 6314109 BYQMDXPDIDFHFU-UHFFFAOYSA-N 355.803 1.531 0 40 FDAB Cn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O 8748144 BVCWTRIVTHECJB-MRXNPFEDSA-N 362.433 1.938 0 40 FDAB CCOc1c(Cl)cc(CNCCNC(=O)c2nonc2N)cc1OC 4488480 OVNRKSJWOLMRFL-UHFFFAOYSA-N 369.809 1.232 0 40 FDAB O=c1[nH]ncc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c1Cl 14141017 YBHSJTCPZNHUIV-UHFFFAOYSA-N 374.875 1.432 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)s1 6605419 YXKCWXIIMAJCHQ-JDNHERCYSA-N 365.459 1.922 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)C1=O 6881804 LZKIQCCQVRQBQB-INIZCTEOSA-N 374.426 1.462 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(Br)cn1 8993669 XTFCCYYEIOLGAI-UHFFFAOYSA-N 374.198 1.978 0 40 FDAB COc1ccc(C(=O)NC[C@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N(C)C 72295727 MFBBUDLVDRZGMN-JSGCOSHPSA-N 370.471 1.226 0 40 FDAB O=C(NC1CC1)c1ccc(N2CCN(C(=O)c3ccsc3)CC2)nc1 76871919 VBFFWDNTMPZNER-UHFFFAOYSA-N 356.451 1.998 0 40 FDAB O=C(NCc1ccncc1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 79101243 INYUYCHMGLTDIE-GOSISDBHSA-N 352.438 1.972 0 40 FDAB NC(=O)c1cccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c1 73956246 SMLJOSQLOIOGOR-UHFFFAOYSA-N 351.406 1.838 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)N3CCCC[C@H]3CC(N)=O)c(C)n2n1 89610765 QPXSOAJUBVTMFQ-HNNXBMFYSA-N 357.458 1.844 0 40 FDAB CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C 20029190 DLTRWLJWHGKXBI-UHFFFAOYSA-N 357.458 1.976 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(CC3CC3)C[C@@H]1C2 306137701 RDLXMUNCSMFBQO-DLBZAZTESA-N 351.454 1.722 0 40 FDAB CN(CCCNC(=O)c1sccc1S(N)(=O)=O)Cc1ccccc1 32857681 JUNURGRXIHBQQD-UHFFFAOYSA-N 367.496 1.647 0 40 FDAB Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)c1C 32508641 NYBMUUNIIYKGJX-UONOGXRCSA-N 367.496 1.442 0 40 FDAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123433060 XIMHBRWYDJFACW-KHPLUVTOSA-N 366.498 1.796 0 40 FDAB COc1ccc(-c2c3c(=O)n(C(C)(C)CO)ccc3nc3ncnn23)cc1 38828736 NYXZDGOHRIQTGL-UHFFFAOYSA-N 365.393 1.842 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218098534 FQVVFNIRUDSZMG-JZXOWHBKSA-N 362.403 1.698 0 40 FDAB COc1cc(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)on1 72390755 AWFNGYNERVVRLZ-INIZCTEOSA-N 371.441 1.805 0 40 FDAB COc1ccc(OC)c(CN2CCc3nnc([C@H]4CCCNC4)n3CC2)c1 72370885 BLNGPURKCHTRCE-HNNXBMFYSA-N 371.485 1.821 0 40 FDAB CN1CCCC[C@@H](C2CCN(C(=O)Cn3nnc4ccccc43)CC2)C1=O 72371998 GWQHZEONTCHOHG-INIZCTEOSA-N 369.469 1.928 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1nncs1 40284413 MUHTZDXXYLECFZ-UHFFFAOYSA-N 360.443 1.391 0 40 FDAB Cc1nccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 61789916 CFLIIRAFAKBFSD-UHFFFAOYSA-N 351.265 1.902 0 40 FDAB COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)[nH]c2c1 85875679 AAEYWCVETFKZKW-GFCCVEGCSA-N 352.346 1.974 0 40 FDAB biogenic Cc1cccc(OCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 223613539 WFZVHVZWHFKJGZ-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB CS(=O)(=O)N[C@@H]1CCN(CCOc2ccc(C(=O)O)cc2Cl)C1 581136779 CZZYFOWVICMIBL-LLVKDONJSA-N 362.835 1.041 0 40 FDAB Cn1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4ccncc4)CCO3)C2)cn1 96218607 CWUCILZPKXWOKG-IEBWSBKVSA-N 355.442 1.369 0 40 FDAB Cn1ccnc1CN1CC[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96158216 LSXMZTFFDNSHNG-FQEVSTJZSA-N 353.470 1.872 0 40 FDAB CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)NC[C@H]2CCCO2)CC1 583623635 BHEXVQKLTQWHAF-JKSUJKDBSA-N 365.478 1.943 0 40 FDAB CC(=O)N[C@@]12CCN(C(=O)c3oc4ccc(C)cc4c3C)C[C@@H]1CNC2 257256368 KLCUGCXNYPPCMK-MGPUTAFESA-N 355.438 1.990 0 40 FDAB COc1cccc(CC(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)c1 257284055 PBBPIFPFINNADZ-LJQANCHMSA-N 356.426 1.128 0 40 FDAB CC(C)N1CCN(C(=O)CCn2ccnc2-c2ccccc2)C[C@@H]1C(N)=O 257247787 JAMOGJFAPILQGZ-QGZVFWFLSA-N 369.469 1.347 0 40 FDAB CCc1nccn1CCC(=O)N1CCOC[C@@H]1c1nc(C)cc(NC)n1 257327949 XDMOSNWPOLERDK-CQSZACIVSA-N 358.446 1.576 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccnc3ccccc13)C2 253386634 XIRDPUFWUYROBX-CQSZACIVSA-N 374.462 1.901 0 40 FDAB Cc1noc([C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)C[C@@H](C)O2)n1 625476480 VMLNPGRSVUMAHB-AMIZOPFISA-N 359.354 1.807 0 40 FDAB O[C@@H](CN1CCOCC1)Cn1cc(-c2cc(Cl)cc(Cl)c2)nn1 641206979 FYUOOCDWRAUSNK-AWEZNQCLSA-N 357.241 1.945 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnn(Cc3ccccc3)c2)C1 643755578 YBDQMNVOPVDYFG-FQEVSTJZSA-N 356.470 1.737 0 40 FDAB CC[C@H](CNC(=O)N1CCO[C@H](C(=O)O)C1)Oc1ccccc1Cl 666535078 TTZGMFZIKVCBCJ-RISCZKNCSA-N 356.806 1.992 0 40 FDAB COc1ccc2cc(C(=O)N3CC(N4CCC(C(N)=O)CC4)C3)[nH]c2c1 390828276 PRKCQRPSLSIPBM-UHFFFAOYSA-N 356.426 1.198 0 40 FDAB CS(=O)(=O)CCN1C[C@]2(CCCN(CCc3ccccc3)C2)C1=O 585099385 HUMHWBIPZSDRAB-GOSISDBHSA-N 350.484 1.198 0 40 FDAB COc1ncc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)cn1 585276335 GMPQPXVTKJMSIE-IBGZPJMESA-N 357.410 1.240 0 40 FDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966084 SMSBNBMTLTVVCJ-UHFFFAOYSA-N 364.764 1.523 0 40 FDAB COC(=O)C(=O)c1c(C2CC2)nc2[nH]n(-c3ccccc3)c(=O)c2c1O 5314742 YNNDOXKJVSTCFY-UHFFFAOYSA-N 353.334 1.653 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)on1 12220467 HBYUKUMKVNQSGR-UHFFFAOYSA-N 357.414 1.623 0 40 FDAB Cc1c(NC(=O)CSc2nccn2C)c(=O)n(-c2ccccc2)n1C 12602332 WZPVRRDORZQICN-UHFFFAOYSA-N 357.439 1.949 0 40 FDAB C[C@H](SCc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 18708951 LEJGACYDDOGQNJ-VIFPVBQESA-N 367.858 1.824 0 40 FDAB C[C@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCOCC1 19079161 FGLHVHYRPVPJCD-CQSZACIVSA-N 360.483 1.666 0 40 FDAB COc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc(OC)c1OC 19286417 WCEIABRBOQAFHT-UHFFFAOYSA-N 359.426 1.705 0 40 FDAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccccc1N1CCOCC1 7495213 GZAQBTCSSWOZRI-SSZFMOIBSA-N 369.421 1.928 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 3413919 ZUUVNFSDZDPXPE-UHFFFAOYSA-N 354.790 1.387 0 40 FDAB CCS(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888866935 ABDIYPNZZQDRHA-HOTGVXAUSA-N 358.467 1.861 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]2c2ccccc2)n1 245026660 NFHYTWZJJLRIOI-HUUCEWRRSA-N 365.393 1.495 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)o1 1614936641 BHWFRPXCBCMPSE-LJQANCHMSA-N 354.410 1.546 0 40 FDAB CC1CC(C(=O)N2CCOC[C@]3(CC[C@H](Cn4ncccc4=O)O3)C2)C1 1565547793 SFYRIHMMFUAPSP-FCJNSDPXSA-N 361.442 1.066 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772137 AGUFFJXRWVXCOD-UHFFFAOYSA-N 369.425 1.612 0 40 FDAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccccc1Cl 22996934 JWQAFOHHXIWZGK-OAHLLOKOSA-N 369.849 1.434 0 40 FDAB Cc1nc2ncnn2c(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)c1C 2086865450 XIDFULXSQLPWNY-OKILXGFUSA-N 353.405 1.848 0 40 FDAB COc1ncc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(N(C)C)n1 206729904 DGTSTOIKLLXUHY-UHFFFAOYSA-N 365.415 1.310 0 40 FDAB Cc1nc(-c2cccc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)c2)cs1 36708422 WZOZHZKDMRGELO-UHFFFAOYSA-N 356.407 1.985 0 40 FDAB O=C(NCc1cccs1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003959 ARIJTZAKHGYHME-UHFFFAOYSA-N 357.501 1.752 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCN(C)CC3)C2)n(C(C)C)n1 2332241732 YMAZOPZOCLSFTG-USXIJHARSA-N 365.522 1.686 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@H](NC(N)=O)c1ccccc1 40062266 SQSQZCMDTMMSCV-KBPBESRZSA-N 365.455 1.293 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 807184 IRBNXTAEMZKTMH-CYBMUJFWSA-N 356.444 1.001 0 40 FDAB COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2ccccn2)CC1 1469937 SUDHFIRHRLZOPM-INIZCTEOSA-N 373.453 1.661 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 20714408 ALABMBOGFXVKNQ-MRXNPFEDSA-N 357.454 1.852 0 40 FDAB Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCCc1cnc[nH]1 4902865 DMNSGRCHWOKRQQ-LDADJPATSA-N 363.421 1.878 0 40 FDAB COc1cc([C@@H]2CC(=O)Nc3ncnn32)ccc1OCC(=O)N1CCCC1 6170126 XOYKPWNPTFLLHK-ZDUSSCGKSA-N 371.397 1.220 0 40 FDAB CC(=O)c1ccccc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 7562908 DUNYLZVBBYHRRT-UHFFFAOYSA-N 353.338 1.431 0 40 FDAB CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815603 MQYLTLLWAREGAQ-UHFFFAOYSA-N 364.423 1.573 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 56122339 PTRSPRJOMKYSHC-UHFFFAOYSA-N 365.407 1.954 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C3CC3)n[nH]2)n1 22379813 CISFFVARALXHKQ-UHFFFAOYSA-N 367.456 1.975 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1 851187 LGXVYMUFDRXPPG-UONOGXRCSA-N 366.439 1.577 0 40 FDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)CCC2)C1CC1 72054891 ZQVNFALDGUVFTG-INIZCTEOSA-N 366.508 1.860 0 40 FDAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)nc1 23409500 BOWBDUSBDYOSIT-UHFFFAOYSA-N 368.503 1.591 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 24243861 ZCNIIUMEIUVLSU-ZDUSSCGKSA-N 363.433 1.477 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Cl)c2c(c1)OCCCO2 24806557 SOTHMYCXQKTKNA-CYBMUJFWSA-N 368.817 1.365 0 40 FDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccnc(N2CCCCCC2)c1 107180063 LYDBXXZKFYOQID-MRXNPFEDSA-N 365.499 1.903 0 40 FDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57554884 JWZMOZHGCVDTJX-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB O=C(CN1CCO[C@H](c2cccc(Br)c2)C1)N1CCOCC1 58179668 FQUKIMHPGVXZDR-HNNXBMFYSA-N 369.259 1.681 0 40 FDAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSC)C(=O)O)ccc12 2125338 SCTXEXPDRVPZRO-ZDUSSCGKSA-N 365.407 1.667 0 40 FDAB biogenic COCCn1nc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1=O 28199155 LPUNWTFZZUNWIL-UHFFFAOYSA-N 355.438 1.985 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 3378211 GXPOKVKNLMKGEF-QGZVFWFLSA-N 367.405 1.475 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)C(C)(C)C)cc1 28612080 FDBYKFZVOLWZLM-UHFFFAOYSA-N 371.455 1.912 0 40 FDAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 22756314 IKVWUWUXHSDKTE-UHFFFAOYSA-N 360.844 1.929 0 40 FDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12853073 QGFHQSUWQQDJIL-NSHDSACASA-N 356.382 1.729 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12993893 QXPRANRSGFNBOV-UHFFFAOYSA-N 364.405 1.620 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2C[C@@H]1C 13460186 ZTWDTWUDHHAKCL-NSHDSACASA-N 366.439 1.469 0 40 FDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 5008473 QDCAFRUISUSUPH-LBPRGKRZSA-N 356.444 1.241 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5065988 KNXDZUJLNZWSNJ-MRXNPFEDSA-N 360.326 1.004 0 40 FDAB COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 5252019 NAOITPQZCPRZAX-UHFFFAOYSA-N 355.398 1.293 0 40 FDAB COc1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccccc4)[C@H]3C2)ncn1 306134782 NYELFYWFEHUHBX-ARFHVFGLSA-N 354.410 1.366 0 40 FDAB CCn1nc(C(=O)OCC(=O)NCc2cccs2)c2ccccc2c1=O 4525335 FHPJZPWILIEFPL-UHFFFAOYSA-N 371.418 1.951 0 40 FDAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 65607210 XSYWDQWXBYZLCO-YYTFBVJBSA-N 357.410 1.472 0 40 FDAB CCOCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945227 UYPZEYPYDFSSKT-UHFFFAOYSA-N 373.457 1.918 0 40 FDAB CCc1ccc(-n2c(O)nc3nc(NCCN(C)C)ncc3c2=O)cc1 67263604 PEWZTUUKTFCEBW-UHFFFAOYSA-N 354.414 1.417 0 40 FDAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(-c2nnn(CCO)n2)cc1 71285873 GBISFNIAYFSSKF-UHFFFAOYSA-N 367.365 1.212 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccccc1 306135440 OQXCBMCSZMNLNP-INIZCTEOSA-N 366.483 1.636 0 40 FDAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCNC1=O 7876541 YSLUSEAOXFVXBS-JTQLQIEISA-N 358.427 1.707 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)Nc2nc(CC(N)=O)cs2)CC1=O 8981838 CHVLLXNLFOYSBV-GFCCVEGCSA-N 372.450 1.725 0 40 FDAB Cn1c(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc21 96904810 LHALDEDLHSCKDI-KBPBESRZSA-N 366.421 1.531 0 40 FDAB C[C@H](CN1CCOCC1)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 84638274 KSSHDPDDADSHKK-UONOGXRCSA-N 372.462 1.072 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)CCn2cncn2)C1 78571417 AWUPLTPVUPHNQG-CQSZACIVSA-N 351.451 1.822 0 40 FDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 306142627 XEZUEEDGWJTAQD-HNNXBMFYSA-N 357.414 1.440 0 40 FDAB CN(C)C(=O)COC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306135025 OFECAIZOACZTSV-OAHLLOKOSA-N 371.437 1.504 0 40 FDAB COC(=O)/C=C(/C(=O)OC)[C@H]1C(=O)Oc2c(C)c(=O)c3ccccc3n21 31861627 PKEJVWJQGRSKNY-ZHZWZMEUSA-N 357.318 1.042 0 40 FDAB O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1)c1nc2ccccc2s1 77261796 POMMFCZHRIBNKQ-UIBBOPPKSA-N 355.419 1.699 0 40 FDAB biogenic,in-vitro COCCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217602160 LWXONCPFRNWNJQ-GFCCVEGCSA-N 372.443 1.291 0 40 FDAB Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc12 39981988 NJONSTOCDUNDCG-UHFFFAOYSA-N 351.362 1.750 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccc(Cl)cc1 72242893 MFPMWECZECEBTM-SNVBAGLBSA-N 357.844 1.775 0 40 FDAB COc1cccc(N(Cc2noc(CCC(=O)O)n2)S(C)(=O)=O)c1 78400921 ZJMITEQPQVZDJY-UHFFFAOYSA-N 355.372 1.062 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc([C@H]2CCCO2)s1 71285143 GOFOOPDCOYSBKV-SECBINFHSA-N 365.415 1.193 0 40 FDAB Cc1cccc(NC(=O)Cn2ncc3c(c2=O)N(C)C(=O)CS3)c1C 49006569 SUMPXDYFEBMDEE-UHFFFAOYSA-N 358.423 1.567 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1ccccc1 223614031 XEEZPQPIHZLIRF-UHFFFAOYSA-N 362.451 1.786 0 40 FDAB CC(=O)NC[C@H]1CN([C@H](C(=O)O)c2cc(Cl)cc(Cl)c2)CCO1 569130710 XJYOOFLLGJXCTO-KBPBESRZSA-N 361.225 1.956 0 40 FDAB COc1cccc([C@H](CC(=O)O)NC(=S)Nc2cc(OC)ncn2)c1 225219995 XBPCHVVWGWEIJT-LBPRGKRZSA-N 362.411 1.996 0 40 FDAB C[C@H]1CN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C[C@H](C)O1 77100426 SFMGVWKCCBEWBZ-UWVGGRQHSA-N 371.319 1.810 0 40 FDAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]32)cn1 96209623 VZPUIBSUZPZLSI-NWANDNLSSA-N 352.398 1.587 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@]3(CCC(=O)N3CCN(C)C)CC2)cn1 96071926 HRVZNJIOTMZLHC-LJQANCHMSA-N 359.474 1.334 0 40 FDAB CCCS(=O)(=O)N1CC[C@H]2C(=O)N(c3ccccc3)CCO[C@H]2C1 96107128 LTTBETNEBLPELR-CVEARBPZSA-N 352.456 1.480 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCCCCC2)cc1OC 243846824 RDZKCLKDEQCQQJ-UHFFFAOYSA-N 356.444 1.385 0 40 FDAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 247733791 JIYRZKOTKXLJNL-HNNXBMFYSA-N 370.457 1.703 0 40 FDAB CC(C)[C@@H]1COC(=O)N1c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257227805 FQYVLOLYBPXWLY-AWEZNQCLSA-N 368.459 1.597 0 40 FDAB O=C(/C=C/c1ccccc1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257253743 KABQTCGEULUAQB-VDZMMWBESA-N 356.422 1.317 0 40 FDAB CNc1cnc(C[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)CC2)cn1 257230024 GAKVBICJAVAIDT-LBPRGKRZSA-N 350.448 1.275 0 40 FDAB COc1cccc(CC(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)c1 257284054 PBBPIFPFINNADZ-IBGZPJMESA-N 356.426 1.128 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C(C)=O 257312510 UOHUFIWVTJNOHC-SFHVURJKSA-N 370.453 1.296 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)C1 253602763 RLBNPKFZAZVPAZ-HOTGVXAUSA-N 357.502 1.560 0 40 FDAB O=C(CCc1nc(-c2ncccn2)no1)N[C@@H](C(=O)O)C1CCCCC1 621585269 XALMCNWTFWUGMU-CQSZACIVSA-N 359.386 1.609 0 40 FDAB Nc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)N(c3cc(F)cc(F)c3)C1)CC2 623326222 GMOLRSABTHBMOH-LLVKDONJSA-N 373.363 1.275 0 40 FDAB NC(=O)C[C@]1(O)CCCN(c2nc3ccccc3nc2N2CCCC2)C1 643714259 OSECDEBKDQRQQW-LJQANCHMSA-N 355.442 1.437 0 40 FDAB COc1cccc(C(=O)N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)c1 643927434 AWDGTAHCMALAPX-OAHLLOKOSA-N 358.398 1.698 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)nnn2C 656857494 HOOCYYFXNLSUFB-ACJLOTCBSA-N 353.430 1.294 0 40 FDAB COc1ncc(-c2cn([C@@H]3C[C@@]4(C(=O)N5CCOCC5)C[C@@H]34)nn2)s1 1775997200 BRSUMGHQUKAYFL-IETSOEAISA-N 361.427 1.220 0 40 FDAB COc1cc(C)c(CN2CC3(CN(C)C[C@H]3c3n[nH]c(C)n3)C2)c(C)n1 1775957882 QZIKMTJAJPJGCA-INIZCTEOSA-N 356.474 1.665 0 40 FDAB COC[C@]1(CC(=O)N(C)Cc2ccccc2F)CN(C(C)=O)CCO1 585280130 AWIXFLYIQLYFMM-SFHVURJKSA-N 352.406 1.438 0 40 FDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)CCc3cncnc3)CC2)C1 585101007 SQDRWKQPXGJDDT-MRXNPFEDSA-N 360.458 1.332 0 40 FDAB CCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 57793987 BUINUFKYNXUERZ-LLVKDONJSA-N 351.428 1.386 0 40 FDAB Cc1cc(OCC(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)no1 1551732907 WPQCBVNHDWXDQJ-AWEZNQCLSA-N 350.396 1.437 0 40 FDAB CCN(CC)c1ccc(CNC(=O)NCc2nnc3n2CCOCC3)cn1 1615590765 MDSYGXVGKNCLHZ-UHFFFAOYSA-N 373.461 1.091 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)c2c[nH]c3ccccc23)n1 5117421 KFUQYAIVJOLXMD-UHFFFAOYSA-N 357.391 1.942 0 40 FDAB Cn1c(=O)c2cc(C(=O)NC(C)(C)C)n(Cc3ccccc3)c2n(C)c1=O 11845005 ZFOYACYMTAFKOJ-UHFFFAOYSA-N 368.437 1.615 0 40 FDAB Cc1nn(CC(=O)N(C)CCc2ccccn2)c(=O)c2cc3occc3n12 12115452 JZMYLUIBDREPTI-UHFFFAOYSA-N 365.393 1.647 0 40 FDAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1 12142261 DHSABCPAQZDMNZ-OAHLLOKOSA-N 357.414 1.960 0 40 FDAB COCC(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146112 VRQCYFWFJKQAGZ-NSHDSACASA-N 362.455 1.801 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)O[C@@H](C)C(=O)N1CCCCC1 12908715 WOKAWPXXQPDQFU-AWEZNQCLSA-N 362.426 1.759 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]c1=O 13582091 BRPSRRZZJNCKEF-UHFFFAOYSA-N 351.771 1.671 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 15894314 GIFLZIXZJZLAOF-JNNRSPCRSA-N 356.378 1.226 0 40 FDAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 16755981 CHRIDASDRIVZFW-UHFFFAOYSA-N 369.834 1.084 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406872 VVIVPJDIFGIEBR-WUHRBBMRSA-N 373.379 1.983 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(Cn2cncn2)c1 19715150 LUFGQRLOJWTDCR-UHFFFAOYSA-N 374.404 1.983 0 40 FDAB O=C(C[C@@H]1COc2ccccc2O1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888865620 DWPMJCJNMYWTEZ-HRCADAONSA-N 366.421 1.601 0 40 FDAB Cc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n2ncnc2n1 1889116576 NDHJJSCXHDGCLD-UHFFFAOYSA-N 364.400 1.907 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 21065765 OLBOCRZBLVGFLK-UHFFFAOYSA-N 364.471 1.283 0 40 FDAB CN1C[C@H](C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)CC1=O 1776001071 XZXZSKVJTOQKBK-MRXNPFEDSA-N 372.469 1.840 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@]2(CO1)CN(c1nc(C)cc(C)n1)CCO2 2056226224 NJLNTFONKPRTKB-QFBILLFUSA-N 362.474 1.763 0 40 FDAB O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccc2c(c1)OCO2 780935 UDSRYYTUKGGECE-UHFFFAOYSA-N 355.329 1.524 0 40 FDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1Cl 4107526 USNKQFHCKSLJFF-NSHDSACASA-N 367.254 1.871 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21 4940621 HWNLBCCELGPSFY-UHFFFAOYSA-N 356.403 1.811 0 40 FDAB CCCc1cnc2c(c1S[C@@H](CC)C(=O)O)c(=O)n(C)c(=O)n2C 10216858 NYKDRWVFCJDFEV-JTQLQIEISA-N 351.428 1.540 0 40 FDAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccon1 16980870 BMMKNACQCNDVHH-UHFFFAOYSA-N 356.386 1.749 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751154 NHOVVZQDFXENFT-UHFFFAOYSA-N 365.499 1.905 0 40 FDAB Cc1nnc(NC(=O)Cc2csc(NC(=O)c3cnccn3)n2)s1 36657944 FXFRXXZDDOHEPC-UHFFFAOYSA-N 361.412 1.527 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)NCc1nccnc1-c1cccs1 575619474 FWNYWWRPXPSOFJ-UHFFFAOYSA-N 356.407 1.842 0 40 FDAB CSc1ccc(CCC(=O)NCCOCCN2C(=O)CCC2=O)cc1 575618600 DECVQFVDEGSVDH-UHFFFAOYSA-N 364.467 1.623 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ccncc3)C2)CC1 575611956 HJMBIXQOXYGZPT-MRXNPFEDSA-N 367.471 1.123 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(n2ccnn2)C1 585325111 GHASHJVLINVJBQ-UHFFFAOYSA-N 351.366 1.135 0 40 FDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccn(C)c(=O)c3)cn2)C[C@H](C)O1 40110404 PSTMOKQHEUYKIR-KBPBESRZSA-N 356.426 1.324 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)C1CC1 31052217 VVHNPVHDKWNMEF-UHFFFAOYSA-N 369.446 1.916 0 40 FDAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 29282218 FJPOBMIPYCMHKZ-GFCCVEGCSA-N 365.480 1.676 0 40 FDAB C[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)C1 1330594 BNPQEPCUEGOSDO-ZDUSSCGKSA-N 369.400 1.980 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 1426085 SRNKENWCEDJPDD-UHFFFAOYSA-N 368.436 1.849 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 6114517 ATAHYXNWXRGGAZ-UHFFFAOYSA-N 367.361 1.938 0 40 FDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(Cl)nc1 7602044 CHRKNVDIVCPPAP-UHFFFAOYSA-N 361.793 1.635 0 40 FDAB COc1ccc(NC(=O)N[C@H](C)CN2CCCCC2)cc1-n1nnnc1C 102542321 DGKFXKJCAXCLDO-CYBMUJFWSA-N 373.461 1.975 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 55300509 KYYMLUFPGNQHAB-UHFFFAOYSA-N 368.499 1.857 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1 9926908 QAAIDWGJUYCOLY-NWDGAFQWSA-N 356.831 1.832 0 40 FDAB Cn1c(=O)c2c(ncn2CN2CCC(Cc3ccccc3)CC2)n(C)c1=O 808495 MEMJTXZXAPWSNH-UHFFFAOYSA-N 367.453 1.346 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cnn(C)c1 22988649 RQQJMTGBVHKNNC-CYBMUJFWSA-N 358.398 1.337 0 40 FDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCCc1ccc(O)cc1 27976105 LBIIVZYLWNFWQO-CYBMUJFWSA-N 353.382 1.494 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 23081915 HHAYAVCKKCAWRS-AWEZNQCLSA-N 363.458 1.895 0 40 FDAB Cc1noc(C)c1CC(=O)OCC(=O)N1CCN(c2ccccc2)CC1 21493312 RVJMDZBJRIOYFC-UHFFFAOYSA-N 357.410 1.726 0 40 FDAB CC(=O)NCCCCCC(=O)N1CCN(Cc2csc(C)n2)CC1 42749420 KBHGSJIESQFYCZ-UHFFFAOYSA-N 352.504 1.792 0 40 FDAB NS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc1 23804922 WPFQYGDMXNGZJF-CQSZACIVSA-N 361.423 1.842 0 40 FDAB COc1ccccc1CNC(=O)NCCCn1nc2n(c1=O)CCCC2 43002062 XIKWORSFEUAWMA-UHFFFAOYSA-N 359.430 1.279 0 40 FDAB CC(C)(CNC(=O)c1ccc(CN2CCCC2=O)cc1)N1CCOCC1 22069751 RFQPTSGWTYOSRJ-UHFFFAOYSA-N 359.470 1.650 0 40 FDAB O=C(O)c1cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1N1CCOCC1 100582003 ROKYNMWYXSKGTI-KBPBESRZSA-N 358.394 1.901 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1F 1311413 UTDVXMWARCWFFW-UHFFFAOYSA-N 353.151 1.373 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1F 56099888 SPKAMBMNKSXERF-LLVKDONJSA-N 354.382 1.702 0 40 FDAB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1N1CCOCC1 69488112 LVKZAEPPQLPFKB-OAHLLOKOSA-N 355.442 1.772 0 40 FDAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccnc(N2CCCC2)c1 44024535 PCCIJXFGVTZOON-ZDUSSCGKSA-N 354.476 1.016 0 40 FDAB O=C1NCCN(S(=O)(=O)c2cc(F)cc(F)c2)[C@@H]1c1ccccc1 58198435 WENULVKCLHZZHB-OAHLLOKOSA-N 352.362 1.827 0 40 FDAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 23421603 HQOOQWQFQCRQSC-UHFFFAOYSA-N 365.499 1.298 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)NCCSc1ccccc1 36390068 FUEOZCHCFCVZEB-UHFFFAOYSA-N 357.483 1.507 0 40 FDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NC(=O)NC1CCCCC1 3366972 IFEHINKCMADWSY-OAHLLOKOSA-N 362.382 1.528 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NCc3ccco3)nc2n1 3322676 WEDQJUFHSYFIDA-UHFFFAOYSA-N 360.399 1.452 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 48235056 TUAJRJHLYPORPI-JTQLQIEISA-N 351.384 1.408 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1nnc2n1CCCCC2 48264972 KWFDSMPELDLQBH-UHFFFAOYSA-N 352.398 1.031 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)N1CCC[C@@H]1c1cccs1 48290942 BEZKCFDODGEAHY-CQSZACIVSA-N 354.472 1.923 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O 12890578 DUEJWJJXXGGYPC-RDTXWAMCSA-N 361.398 1.610 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccccc2)c1=O 17334628 XKEGWZWXMWBDGX-UHFFFAOYSA-N 351.406 1.842 0 40 FDAB CC(C)OC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1 3669292 DKVGCTKTGPDESF-UHFFFAOYSA-N 369.432 1.134 0 40 FDAB CC(=O)Nc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 8734027 KXLYHIZPMRVCTO-QGZVFWFLSA-N 356.338 1.350 0 40 FDAB C[C@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249447 HFFVBVNISQYSIS-JTQLQIEISA-N 359.817 1.875 0 40 FDAB COc1ccc(-c2noc(CSc3nc(N)cc(=O)[nH]3)n2)c(OC)c1 4385864 QCPMFZHHCRMABM-UHFFFAOYSA-N 361.383 1.712 0 40 FDAB CCCCCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n23)n(C)c1=O 4314351 OZSXQYHVYFDFLZ-UHFFFAOYSA-N 361.446 1.603 0 40 FDAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCN1CCCCC1)C2=O 4346620 XNMDDEKYXHIICS-GOSISDBHSA-N 354.454 1.965 0 40 FDAB COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccccc1-n1cncn1)C2 65529563 REUARIQKLBXQNU-UHFFFAOYSA-N 366.381 1.297 0 40 FDAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 14198445 JRJKFNDIPRHOAM-QGZVFWFLSA-N 355.417 1.758 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C2CC2)cc1S(=O)(=O)N(C)C 14116127 MVDKDBDESGHSCU-JXPAYYINSA-N 352.456 1.873 0 40 FDAB Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCOCC2)n1 22607773 XXJSXCYWOQOXGF-UHFFFAOYSA-N 356.430 1.362 0 40 FDAB Cc1nnc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)s1 14633461 GSTDGFOZUMUTHI-MRVPVSSYSA-N 352.441 1.809 0 40 FDAB O=c1ccn(-c2ccccc2)nc1-c1ccn([C@@H]2CCS(=O)(=O)C2)n1 5685263 TZWACWKFXICWRY-CQSZACIVSA-N 356.407 1.456 0 40 FDAB COc1cccc(CNC(=O)c2nsc(C(=O)NCC3CC3)c2N)c1 67246188 WJJZEZHXFAJBFQ-UHFFFAOYSA-N 360.439 1.804 0 40 FDAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC2CC2)C1=O 15395179 LSYAKXWFZHOLAO-HNNXBMFYSA-N 366.215 1.495 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)C2CCCCC2)c(=O)[nH]c1=O 7967404 UMLATIFMNFKQAG-UHFFFAOYSA-N 352.435 1.089 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 9537184 LHTSZMVRSZODED-AWEZNQCLSA-N 354.428 1.406 0 40 FDAB COC(=O)[C@H]1C[C@H](N2CCC(NC(=O)NC3CCCCC3)CC2)[C@H](O)C1 72309126 KRIMBMBZBARCGF-RRQGHBQHSA-N 367.490 1.395 0 40 FDAB COc1ccc2nnc(CCC(=O)N3CCO[C@@H](c4ccccc4)C3)n2n1 72404760 XYMAEVCHLMNJQF-OAHLLOKOSA-N 367.409 1.666 0 40 FDAB CC(C)[C@@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)N1CCc2sccc2C1 84408995 IIVQJYZNIIJNTO-BLLLJJGKSA-N 364.467 1.727 0 40 FDAB CCCCN(C(=O)CS(=O)(=O)C1CCCC1)[C@H]1CCS(=O)(=O)C1 84744362 YKLYSXCRJKFXJX-ZDUSSCGKSA-N 365.517 1.160 0 40 FDAB CN1CCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)c2ccccc21 95972553 OMVXLXMWCXKKOV-INIZCTEOSA-N 366.421 1.821 0 40 FDAB O=C(NC1CCC(O)CC1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 79075645 XOHWHFVWFPZDDK-SHWKFHJASA-N 354.472 1.886 0 40 FDAB CCc1nc(CC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cs1 89289909 GDGUSBVFNKSVRV-SJORKVTESA-N 359.495 2.000 0 40 FDAB CCN1CCN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)CC1 113965185 JKMWKDVDUUQKMW-UHFFFAOYSA-N 371.478 1.536 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(OCC(N)=O)c3)C2=O)o1 60349898 FUQKSHKVBMIWNG-GOSISDBHSA-N 357.366 1.419 0 40 FDAB COc1cccc(N2Cc3nc(=O)n(CC(=O)N4CCCCC4)n3C2=O)c1 36358625 LRPVNKXGDPFXOQ-UHFFFAOYSA-N 371.397 1.054 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408658685 LMZLGPXNDFXKGG-IYVPYFHTSA-N 356.378 1.199 0 40 FDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc2cccnc12 548532721 JSOXBGRAPBBHDZ-DOMZBBRYSA-N 364.423 1.534 0 40 FDAB CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21 35442250 UGTVUNZFOUACSU-KSZLIROESA-N 358.486 1.022 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1 72345422 RTMZQSFGYBWRGI-MRXNPFEDSA-N 354.410 1.799 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 218317947 PHJWLSWHUNZAKR-QWHCGFSZSA-N 374.842 1.963 0 40 FDAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCCCC2)C3)C[C@@H](C)O1 72389518 AUGPDMMKFUNFBT-OKILXGFUSA-N 374.485 1.849 0 40 FDAB O=C1CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@@H](CO)N1 72321050 HCFPPTACLUXDLE-SJLPKXTDSA-N 355.394 1.557 0 40 FDAB biogenic,in-vitro C[C@@H](NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1)c1ccccc1 43941449 YNGOTCZEVCYPQF-OAHLLOKOSA-N 367.453 1.687 0 40 FDAB O=C(O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1 45958599 FIIWWWAKJLGSMR-JTQLQIEISA-N 358.316 1.980 0 40 FDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1nc3ncccn3n1)C2 572007356 FWWXDYGBUPYIDM-UHFFFAOYSA-N 364.409 1.890 0 40 FDAB O=C1N[C@@H](COCc2ccccc2)C(=O)N[C@H]1COCc1ccccc1 34079748 DEEJCDRDHJVIGO-ROUUACIJSA-N 354.406 1.403 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2COCc3nc4cccnc4n32)cc1 96112559 JXBWYOKCEQJVBE-LBPRGKRZSA-N 374.422 1.490 0 40 FDAB biogenic,in-vitro CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1cccn1C)C2 96050261 WGRXIMULWXQTCF-HXUWFJFHSA-N 370.428 1.728 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1cccnc1)C2 96060778 FVAFCVNZEAZGIW-MRXNPFEDSA-N 350.426 1.921 0 40 FDAB CCc1nn(C)cc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 583615404 UTRAVLPLQBMIRN-HNNXBMFYSA-N 352.479 1.067 0 40 FDAB COc1ccccc1Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)ccn1 257234281 GSWGYBCQMSEDCJ-LJQANCHMSA-N 374.462 1.988 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257322943 WIDXBINPJMXOEC-INIZCTEOSA-N 357.458 1.417 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c(=O)n1C 257344385 ZWZSDNYPEYHYMA-YLJYHZDGSA-N 356.422 1.738 0 40 FDAB CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1cccc(F)c1 257214311 CLNMCZFMMKGXCE-BRWVUGGUSA-N 356.463 1.824 0 40 FDAB Cc1cc(-c2nccnc2C2CCN(S(=O)(=O)N(C)C)CC2)[nH]n1 257344154 ZVZFOFOHMINGBO-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(C)c(Cl)s1 643971266 GBIAVRIJQPJCLN-LBPRGKRZSA-N 353.849 1.964 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NCCOc1ccc(Cl)c(F)c1 644493855 CXRHTOYEIKUHLM-CQSZACIVSA-N 358.797 1.348 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(C2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 650774673 BVPOEHKMFNUCQD-SSDOTTSWSA-N 364.349 1.459 0 40 FDAB Cc1ncc(Cl)c(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)n1 607818620 CKWJSQRTIRRFNM-UHFFFAOYSA-N 356.773 1.975 0 40 FDAB Cc1cncc(CN2CCn3c(COc4ccccn4)nnc3[C@@H]2C)n1 585097340 KHZINMHUDPOGBX-AWEZNQCLSA-N 351.414 1.927 0 40 FDAB COCC(=O)N1CCC2(CC1)CN(CC1CCOCC1)C[C@@H]2COC 585102915 IFDAMIKOIJWAQU-QGZVFWFLSA-N 354.491 1.246 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 585108688 ZQVUDBYXOUYYDL-AOIWGVFYSA-N 354.410 1.642 0 40 FDAB CC(C)CNC(=O)NC(=O)[C@H](C)Nc1cccc(CN2CCOC2=O)c1 56160921 RRNRLKDGZZQXFG-ZDUSSCGKSA-N 362.430 1.921 0 40 FDAB CC[C@](C)(NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)O 95969978 SHIOSWUOPOMJGM-KRWDZBQOSA-N 360.370 1.330 0 40 FDAB OC[C@@H]1O[C@H](n2c(C(F)(F)F)nc3cc4ccccc4cc32)[C@H](O)[C@@H]1O 5487721 OSDOIUWYXRFOJG-YJNKXOJESA-N 368.311 1.820 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)[C@@H]3CCCO3)nc12 12146384 QNBNMLNTZKWTHG-BBRMVZONSA-N 354.410 1.641 0 40 FDAB CCOCc1nnc(NC(=O)[C@]2(C)CC(=O)N=C3C=C(C)C=CN32)s1 12202232 UHTNKESJWZIPHY-INIZCTEOSA-N 361.427 1.876 0 40 FDAB COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 13494514 QBLGRWTYFRDGFV-QIIPPGSGSA-N 362.382 1.361 0 40 FDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CCCO1 13591624 BAUVBXLDNZRGPD-VLQPXKRTSA-N 373.497 1.527 0 40 FDAB Cc1nnc2ccc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)nn12 13700443 JQTWSIBCXNRLDS-UHFFFAOYSA-N 355.377 1.926 0 40 FDAB Cn1c(C(=O)Nc2nc(-c3ccccc3F)cs2)cc(=O)n(C)c1=O 19288721 OHFOUFLWYJIEBW-UHFFFAOYSA-N 360.370 1.599 0 40 FDAB O=C(N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(C2CC2)on1 19292211 XDPZFKGLOKLCCX-AWEZNQCLSA-N 369.425 1.814 0 40 FDAB Cc1nn(CC(C)C)cc1S(=O)(=O)NCCn1nc(C)c(C)c1C 19557299 FXUYSYUWFRDHFU-UHFFFAOYSA-N 353.492 1.948 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19562274 LTJSARHPRFYLPR-UHFFFAOYSA-N 359.455 1.713 0 40 FDAB CSCC[C@@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)n1cnnn1 19585978 IOFYBSADHRZCHC-JKSUJKDBSA-N 361.471 1.740 0 40 FDAB CC(=O)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19700895 BMPIMDVRLBLGHI-HXUWFJFHSA-N 353.422 1.558 0 40 FDAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1cc(CN(C)C)n(C)n1 19709142 AKYSPDDGCVZWNQ-MRXNPFEDSA-N 357.524 1.595 0 40 FDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC(Oc2ncccn2)CC1 244947601 DNWYHMILUMOTIG-INIZCTEOSA-N 370.409 1.723 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccs1 5170998 RVLKUABWQFSFDG-UHFFFAOYSA-N 356.407 1.373 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(CC(=O)N3CCCC3)CC2)n1 1165058116 ZZSQMCNVXHYISJ-UHFFFAOYSA-N 358.490 1.130 0 40 FDAB COc1nccnc1N(C)CC1CCN(c2nccn3c(C)nnc23)CC1 1776009780 QELQFYQIJGEYID-UHFFFAOYSA-N 368.445 1.584 0 40 FDAB O=C(Cn1cnc2ccccc21)NC[C@]1(O)CCCN(c2ccccn2)C1 2037880054 RQMKKVSLJCACAZ-HXUWFJFHSA-N 365.437 1.579 0 40 FDAB Cc1cccc(F)c1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 1614938718 CTADHSVTROBVEM-CQSZACIVSA-N 354.389 1.895 0 40 FDAB C[C@]1(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)CC=CCC1 1142542751 WZSHWIDWTGXHNS-IBGZPJMESA-N 370.453 1.947 0 40 FDAB COc1cnccc1C(=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565554282 MVUZWBZPWNDGMI-GDBMZVCRSA-N 365.437 1.892 0 40 FDAB Cn1cc(N2C[C@@]3(CCCN(CC4CC(F)(F)C4)C3)C2=O)ccc1=O 1565541622 HUNXUVJSKQSGCW-KRWDZBQOSA-N 351.397 1.859 0 40 FDAB O=C(Cc1cccs1)NCCn1ncc2c(N3CCCC3)ncnc21 11666028 GYPLBHQHYWPUOE-UHFFFAOYSA-N 356.455 1.847 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 11795979 WZBRYJKQUJWEOK-LBPRGKRZSA-N 373.431 1.491 0 40 FDAB O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NC[C@@H]1CCCO1 23139046 YRIKROSQPVMESC-NSHDSACASA-N 350.444 1.274 0 40 FDAB CCOC(=O)CCC(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390829728 GEADDXGDZZGYFZ-HNNXBMFYSA-N 353.440 1.718 0 40 FDAB Cn1/c(=N\C(=O)CNC(=O)c2ccc3c(c2)OCO3)sc2ccccc21 30763672 UGMMSIXOFGDHJF-CZIZESTLSA-N 369.402 1.826 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1nnc2ccccn12 11545351 LIKHBPVDEYXZKO-UHFFFAOYSA-N 362.393 1.257 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C)on2)n(C)c1 36883595 OZXQKWSVWMKHQP-UHFFFAOYSA-N 355.416 1.709 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc(O)c1 32105197 FOXQRCHRYDWRKC-KBPBESRZSA-N 367.405 1.889 0 40 FDAB C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)N1CCOCC1 11823174 MKUOFBDKLWXBIN-LBPRGKRZSA-N 351.476 1.553 0 40 FDAB CCN(CC)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 32435405 QBWGCPKZDYJCDJ-UHFFFAOYSA-N 357.451 1.902 0 40 FDAB O=c1n(CCSc2nnnn2-c2cccc(Cl)c2)nc2ccccn12 32815462 XLHRDGRDWNWPPX-UHFFFAOYSA-N 373.829 1.917 0 40 FDAB COc1ccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)c(OC)c1 42028579 KAEKZZDZSXMGAG-KRWDZBQOSA-N 350.459 1.719 0 40 FDAB 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0 40 FDAB O=C(NCC(F)(F)F)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 26963091 UOXYJDOFTYKPAG-SECBINFHSA-N 372.365 1.568 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1 7978403 RHIQXSYRNMULCY-UHFFFAOYSA-N 365.382 1.920 0 40 FDAB NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1 58161435 CFHIQZBKVCJDJC-UHFFFAOYSA-N 370.434 1.591 0 40 FDAB COc1ccc(CCN2CCN(CC(=O)Nc3nccs3)CC2)cc1 58180837 KSHQKIHZQAEXDU-UHFFFAOYSA-N 360.483 1.951 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)CC2)c1 58197306 FCBHDPKAAYCNBF-UHFFFAOYSA-N 350.362 1.699 0 40 FDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1 27958752 DAQIAZNWPFACPM-UHFFFAOYSA-N 360.819 1.026 0 40 FDAB COc1ccc(NC(=O)N(C)C[C@H](O)COCCOC(C)C)cc1OC 58407255 UQZUKLFBBBZORB-HNNXBMFYSA-N 370.446 1.970 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](O)C2)sc(C(C)=O)c1C 3342781 VIZNFMFGITVDCB-GFCCVEGCSA-N 368.455 1.831 0 40 FDAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)N1CCOCC1 16642709 WJESAKJAVAGTOD-UHFFFAOYSA-N 363.439 1.640 0 40 FDAB 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CC(=O)N[C@@]12CCN(Cc3cc4ccccc4nc3N(C)C)C[C@@H]1CNC2 19713070 VOAFLRCDMDOJSS-GHTZIAJQSA-N 367.497 1.601 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCOCC5)C[C@H]4C3)nn12 1888875703 ZUJIAVXOKIVGOE-GASCZTMLSA-N 370.457 1.008 0 40 FDAB Oc1cc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)nc(O)n1 1888897249 ZJTRVJBYODBCOO-VXGBXAGGSA-N 350.382 1.404 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC1(O)CSCCSC1 1888921933 CYYRWWKLKZAGJK-UHFFFAOYSA-N 358.529 1.320 0 40 FDAB C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nnc2n1CCCCC2 29254220 WUCOWAJBOPKMOS-GFCCVEGCSA-N 362.455 1.899 0 40 FDAB CN1C[C@H](CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CC1=O 1776009358 XDMVXSAPDQGGKX-LLVKDONJSA-N 358.364 1.817 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1CC(F)(F)C1)C2 1565555624 MAKLCWSSWQCITR-KRWDZBQOSA-N 364.396 1.376 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)n1 1565553581 FCMRLZSUSAQDAE-BRWVUGGUSA-N 372.425 1.538 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565546666 CENDKHZAXMZBDU-OALUTQOASA-N 370.428 1.660 0 40 FDAB C[C@H]1CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C[C@@H](C)O1 12342290 BETBGWHZTHUUBZ-TXEJJXNPSA-N 351.428 1.076 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 13704818 DXSBGBZWAMHBRM-UHFFFAOYSA-N 366.468 1.815 0 40 FDAB Cc1csc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)n1 15884284 IQBLGDIPFVWRDA-UHFFFAOYSA-N 369.406 1.899 0 40 FDAB O=C(c1cscn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772955 CFWBGTHKPWWRIW-UHFFFAOYSA-N 359.455 1.497 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21 40286630 PACLMMLWUPFDCQ-QGZVFWFLSA-N 367.405 1.188 0 40 FDAB CCOC(=O)c1sc(NC(=O)/C=C\C(=O)O)c(C(=O)OCC)c1C 100562937 ZHASIBSKFZDRLV-SREVYHEPSA-N 355.368 1.989 0 40 FDAB Cc1cc(S(=O)(=O)N(CC(N)=O)CC(C)C)ccc1Br 31656952 GDHPWIIVXLIWHX-UHFFFAOYSA-N 363.277 1.890 0 40 FDAB Cn1ncc2c(=O)[nH]c(NC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc21 60381199 ZSVXOWLNBBGVAW-HNNXBMFYSA-N 372.404 1.281 0 40 FDAB COc1cc(/C=C/C(O)=C2\C(=O)NC(=O)N(C)C2=O)cc(OC)c1OC 101390045 HUWQHPIHVRETFR-KWQUGSDZSA-N 362.338 1.246 0 40 FDAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 20731859 ZQAPBHXSKLRCBR-ZBEGNZNMSA-N 366.377 1.268 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 11939053 KQIUNSZAANCKOB-ZBFHGGJFSA-N 361.442 1.976 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8222016 YJZBMGFWYKGRIU-CJNGLKHVSA-N 370.405 1.968 0 40 FDAB C[C@@H](CNC(=O)NCc1ccccc1CN1CCOCC1)Cn1cccn1 52501822 PBXJTNOGNLFSIQ-KRWDZBQOSA-N 371.485 1.851 0 40 FDAB CCN1C(=O)C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2OC)C1=O 103022621 KGTZWPLXWHVAIN-LBPRGKRZSA-N 353.806 1.366 0 40 FDAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCCN1CCOCC1 23127310 LANMHDOEHPNETF-UHFFFAOYSA-N 359.382 1.061 0 40 FDAB CC[C@H](C)c1ccccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 25027283 IQAQRGHBSMWZPQ-ZFWWWQNUSA-N 362.426 1.469 0 40 FDAB Cc1cc(C)c(CNC(=O)CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]1 26247696 LSFMIXPHIGGLOM-UHFFFAOYSA-N 368.481 1.426 0 40 FDAB O=C(NCC(=O)N1CCCC1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 57392190 MQOQVBIJUHEWRK-GOSISDBHSA-N 359.426 1.831 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2ccccn2)C1 57920459 HZJLOABNUTYCGC-OAHLLOKOSA-N 362.474 1.935 0 40 FDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58182028 CGOXBEUGQLKGJA-IBGZPJMESA-N 355.369 1.909 0 40 FDAB COc1cc2ncn(CCC(=O)Nc3ccncc3)c(=O)c2cc1OC 36360060 NIXACMZJOWAYQC-UHFFFAOYSA-N 354.366 1.838 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 11144476 JRMFWKVZSHBSHM-UHFFFAOYSA-N 357.395 1.891 0 40 FDAB CC[C@@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 8403412 OWMMOUWECXTCBA-AWEZNQCLSA-N 359.451 1.794 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(C)(C)C)cc1 3417435 FQMIWZQUBTXZOB-MDZDMXLPSA-N 368.455 1.343 0 40 FDAB Cc1sc2nc(CS[C@H](C)C(=O)OCC(N)=O)[nH]c(=O)c2c1C 3450935 YPQXCYHZMYNLTQ-MRVPVSSYSA-N 355.441 1.252 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N2CCCC2)CC1=O 12985919 IWOLPVSOTGDHEO-KGLIPLIRSA-N 360.410 1.602 0 40 FDAB Cc1c(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cnn1C 13297202 NKIWFSYWVLQFKE-UHFFFAOYSA-N 374.441 1.680 0 40 FDAB CC(C)c1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495851 WORGQYIXCCYVSS-AWEZNQCLSA-N 367.405 1.576 0 40 FDAB CCOC(=O)C(=Cc1nnsc1N1C[C@H](C)O[C@H](C)C1)C(=O)OCC 18151838 LQDQHIAGEIDISB-PHIMTYICSA-N 369.443 1.661 0 40 FDAB CCCN1C(C(=O)N2CCOCC2)=C(OC)c2ccccc2S1(=O)=O 5324726 VPJIRIGPSXZTRF-UHFFFAOYSA-N 366.439 1.275 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 6471364 LLFFYSDZEXJNBT-UHFFFAOYSA-N 364.379 1.310 0 40 FDAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCc2ccccc2C1 14198965 FSHXMJNWCKMJGY-CYBMUJFWSA-N 352.390 1.916 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)C(C)C)CC2)s1 14169028 RPBRCBFPYLTXGS-AWEZNQCLSA-N 373.544 1.524 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc2c(c1)OCCO2 14137080 GUFFBLODKDYGLM-UHFFFAOYSA-N 365.389 1.895 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(C(N)=O)cc2)c(C)c1 8749496 KMIRPNQEAUSUDU-UHFFFAOYSA-N 369.421 1.844 0 40 FDAB CSc1ccc([C@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1 8990735 QOZPZEKPEHWNOA-INIZCTEOSA-N 371.466 1.934 0 40 FDAB CCCCn1ncc(NC(=O)N2CC[C@H](S(=O)(=O)NCC)C2)c1C 92822678 XCZQLDSOMFBSHU-ZDUSSCGKSA-N 357.480 1.537 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H]2CCCC[C@H]2C1 8155532 JMJJFWLJYGFOHD-KGLIPLIRSA-N 362.451 1.870 0 40 FDAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 8232316 ZVEGYETVHSDAQM-LBPRGKRZSA-N 374.470 1.964 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)cc1 8391064 WBRBGERIVKXBDE-LBPRGKRZSA-N 353.831 1.999 0 40 FDAB COC[C@H](O)CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 84016819 YTCUPOUWBVYARK-OAHLLOKOSA-N 351.834 1.809 0 40 FDAB Cc1ccc(OCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 9888628 PCHISZCXTWQIPG-UHFFFAOYSA-N 370.405 1.957 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)c1 97134750 HOZZFMLZRMIDHC-OAHLLOKOSA-N 351.380 1.808 0 40 FDAB c1cnc(O[C@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn3C2)nc1 306124478 BQTHIVFGAXJFHW-INIZCTEOSA-N 365.393 1.865 0 40 FDAB O=C(NCc1nc(-c2ccccn2)n[nH]1)N1CCN(c2ccccn2)CC1 516732729 GCAKLJIHTYNCHC-UHFFFAOYSA-N 364.413 1.294 0 40 FDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1 30170989 JQTYBRVMTLFXPZ-INIZCTEOSA-N 360.483 1.941 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326790 GVADOCYUNBUVED-RBZFPXEDSA-N 370.453 1.608 0 40 FDAB CSc1nc(C)c(CCC(=O)NC2CCN(C(C)=O)CC2)c(C)n1 32748121 IOXNXSBVSZYTKN-UHFFFAOYSA-N 350.488 1.875 0 40 FDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]1CC2 72342260 MMDZWBNTJIATEP-WBVHZDCISA-N 361.409 1.563 0 40 FDAB Cc1[nH]nc2c1[C@H](c1ccccc1OC(F)F)c1c([nH]c(=O)[nH]c1=O)N2 31810170 YDMDUDYKQHWCGV-JTQLQIEISA-N 361.308 1.933 0 40 FDAB CO[C@]1(C)C[C@H](N(C)S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1(C)C 521621203 PYEWOBPSMABGMA-WMLDXEAASA-N 371.455 1.974 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1Cl 224191657 SPUAJBLXSDHHGZ-UHFFFAOYSA-N 370.862 1.992 0 40 FDAB O=C(Cc1ccc2c[nH]nc2c1)N1CCC(C(=O)N2CCOCC2)CC1 329415419 CUUILHRMQRKIFJ-UHFFFAOYSA-N 356.426 1.203 0 40 FDAB Cc1cccc(OC[C@H]2C[C@@H](NC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O)n1 225504680 WNGLBXOMJHSKRS-WNOSKKOXSA-N 358.398 1.096 0 40 FDAB biogenic,in-vitro COc1ccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225522195 KLUWYNCBQMFSKD-KBPBESRZSA-N 368.437 1.753 0 40 FDAB Cc1cnc(N2CC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)nc1 96225799 CUNLKOQARDSZNO-GOSISDBHSA-N 352.398 1.222 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2=O)n1 96224722 XCAKCIGLJRGNLI-UZLBHIALSA-N 357.454 1.768 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccncc4)CC3)[C@@H]1CN(C(C)=O)C2 97952832 IEICQGPAQCKPNK-GHTZIAJQSA-N 370.497 1.668 0 40 FDAB O=C(COc1ccccc1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 96208929 WPRHLTFVOYGPIZ-AUUYWEPGSA-N 355.394 1.752 0 40 FDAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2cncnc2)Oc2ccccc2N1CC1CC1 96111642 FXIWQMBKKLBIFI-RDJZCZTQSA-N 364.405 1.895 0 40 FDAB biogenic,in-vitro CN(C)CC(=O)N[C@H]1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21 96079903 WBFJXHBKDIZBES-INIZCTEOSA-N 374.485 1.704 0 40 FDAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4ccncc4)CCO3)C2)cs1 96049828 LNDHIEMHHKXTLR-LJQANCHMSA-N 374.510 1.950 0 40 FDAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@H]2C1 96245457 BLHUHHPGHTVZCM-GJZGRUSLSA-N 364.417 1.678 0 40 FDAB CN(C)c1cc(N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)ncn1 248084239 DEPICWDDEBIUPC-HNNXBMFYSA-N 370.457 1.787 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@H](Cc2cncc(-c3nccn3C)n2)C1 257308953 TYXDNEQFIVMBBO-CQSZACIVSA-N 363.425 1.680 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ncn1 257298459 RLSOFHBMXVXOHU-INIZCTEOSA-N 355.394 1.988 0 40 FDAB Cc1ccccc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1c1cnn(C)c1 630656384 QPUQOZFOHBFBNZ-IRXDYDNUSA-N 356.426 1.809 0 40 FDAB CO[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1cnn[nH]1 643767485 GNYSAOCOJQZKOI-XHDPSFHLSA-N 350.806 1.844 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(-n3nccc3C)cc2)C1 644032987 IEQMBQPDMYDZQZ-LJQANCHMSA-N 356.426 1.284 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)NCc1ccccc1OCC1CC1)N(C)C2 644358970 SYQRZBSGGSMZEK-INIZCTEOSA-N 355.442 1.506 0 40 FDAB O=C(O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)CCC2CCC2)CC1 650417308 XZJTXKNPLDRLEQ-KRWDZBQOSA-N 366.483 1.950 0 40 FDAB CCOc1ccc(CN2CC[C@@H](OC)[C@H](CC(=O)NC)C2)cc1CO 585276186 MVYHPYIEBDOEHN-NVXWUHKLSA-N 350.459 1.551 0 40 FDAB CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1ccccn1)CC2 585104312 HDLUEJLPUOGXAV-KRWDZBQOSA-N 361.486 1.948 0 40 FDAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3cncn3)[C@H]2O)c1 585285528 FDCVTFKTVGWTSB-SZVBFZGTSA-N 358.442 1.701 0 40 FDAB Cc1occc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CNc1ncccn1 585094771 LWZAKYIHKJOOEV-CYBMUJFWSA-N 352.398 1.791 0 40 FDAB COCC(=O)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615158122 DYCOAOAWRVNVDJ-DLBZAZTESA-N 351.443 1.379 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 11009306 IIIXFBBVGRUQGO-UHFFFAOYSA-N 365.436 1.297 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 12494524 SYGWGHVTLUBCEM-SDYDLROXSA-N 364.482 1.862 0 40 FDAB endogenous,in-man CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)CC1 13636626 NYQFVQZRQVTMRL-MRXNPFEDSA-N 360.410 1.602 0 40 FDAB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c(OC)c1 13669671 CHPRVDYGZITWBA-ZDUSSCGKSA-N 370.471 1.728 0 40 FDAB Cc1ccc(OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 17042954 YWIDYLAESLJOPA-CQSZACIVSA-N 363.439 1.877 0 40 FDAB Cc1ccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(N3CCN(C)CC3)n2)cc1 19209915 SRGFFVBFHSJJQK-OAHLLOKOSA-N 369.469 1.250 0 40 FDAB O=C1NC[C@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 19374698 IBPJLJJEHAJPCW-HXUWFJFHSA-N 371.437 1.183 0 40 FDAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCn1cnnn1 19589142 BWZZINWYDPKWRR-QWFCFKBJSA-N 368.485 1.932 0 40 FDAB CNc1ncccc1CN1CCC2(CC1)C[C@@H](NC(C)=O)CN2C(C)=O 19696408 BIXCYRHNUQSFBT-QGZVFWFLSA-N 359.474 1.215 0 40 FDAB O=C(N[C@@H]1CCCN(C(=O)COc2ccccc2F)CC1)c1cnccn1 19749120 NBKXWZRGGQIJPQ-CQSZACIVSA-N 372.400 1.806 0 40 FDAB Cc1ncc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1 19937098 GYKAUSNUGPXFIP-UHFFFAOYSA-N 354.410 1.780 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cnn(C)c2-c2ccccc2)C1 644038439 KTXLWOZXIKDYQS-IBGZPJMESA-N 356.426 1.190 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccnc(O)c5)C[C@H]4C3)n1)CCC2 1888867019 ZTLASLZWXLCYSW-HUUCEWRRSA-N 365.437 1.583 0 40 FDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)NCc1ncccn1 1565553340 USZODFRIZWEQIS-KURKYZTESA-N 367.453 1.415 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)o4)nc32)c1 5271201 VXBCBIQPSZOTFJ-UHFFFAOYSA-N 365.349 1.785 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(Cl)cc1 11927649 DHHQXLVEKBVPIX-UHFFFAOYSA-N 362.817 1.956 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)NC[C@@H]4CCCO4)nnc23)n1 225749086 FMCRBIVNPCDVOO-NSHDSACASA-N 357.374 1.066 0 40 FDAB Cn1c(N)c(-c2csc(Cc3cn4ccccc4n3)n2)c(=O)n(C)c1=O 40040186 HHPOFDVDTRGMOZ-UHFFFAOYSA-N 368.422 1.028 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCC3)n(C)c1 30675071 XADHVWDQWXJKKV-UHFFFAOYSA-N 354.457 1.521 0 40 FDAB CCOc1ccc(OCC)c(NC(=O)CN2CCCN(C(C)=O)CC2)c1 11419796 JFPDVGQDEZPFEJ-UHFFFAOYSA-N 363.458 1.977 0 40 FDAB CCOC(=O)[C@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@@H]1c1cccc(Cl)c1 1574777 WLIAOFCTAHDNDF-CMPLNLGQSA-N 350.758 1.572 0 40 FDAB CC(C)n1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 2351171 KPYKABWCJQQPDM-UHFFFAOYSA-N 373.438 1.735 0 40 FDAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 7604435 JCMAMOIZRAFVOD-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB COCCNC(=O)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 32776717 GHDCRCIGNCWZIL-UHFFFAOYSA-N 367.833 1.680 0 40 FDAB COc1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OC[C@H]1CCCO1 32931435 VBPXHPMRAXYNCW-CQSZACIVSA-N 358.394 1.871 0 40 FDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O 28249618 LTLGHWWAISDESV-JBLDHEPKSA-N 369.830 1.977 0 40 FDAB CC(C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCOCC1 22510650 JIKPTVCIAMWGJY-SFHVURJKSA-N 359.470 1.900 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 50429292 XXNMGUZZNJVTJM-GJZGRUSLSA-N 355.438 1.557 0 40 FDAB CN(CC(=O)Nc1cccc(NS(C)(=O)=O)c1)C(=O)c1ccco1 23056942 NOCOTNYPHWMLHS-UHFFFAOYSA-N 351.384 1.362 0 40 FDAB Cc1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH]nc(O)c23)s1 58223050 REXZZTATFROQRY-UHFFFAOYSA-N 358.379 1.367 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@H]1CCCc2ccccc21 100290517 UDICIPZKIVPQEI-NCTLDZBQSA-N 350.418 1.987 0 40 FDAB NS(=O)(=O)Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 25612672 INNBGOYXLBRBNK-UHFFFAOYSA-N 357.391 1.569 0 40 FDAB O=C(CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)NCC(F)(F)F 57175409 GEESXVGLJABAEN-AWEZNQCLSA-N 357.376 1.693 0 40 FDAB COCCOC(=O)c1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1C 1784802 JXSPNWFJAOZHRI-UHFFFAOYSA-N 368.411 1.521 0 40 FDAB CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O 54360951 YYASIVMWWTVDQE-LCYFTJDESA-N 351.403 1.540 0 40 FDAB CCN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 3263619 MHSJGOFVFNHKDJ-UHFFFAOYSA-N 366.373 1.879 0 40 FDAB Cn1cc(-c2nc(C(=O)Nc3cccnc3-n3cncn3)cs2)cn1 58195575 AEVZNRATFQWBDR-UHFFFAOYSA-N 352.383 1.772 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58209072 ISQWNAWUHMXXGP-QGZVFWFLSA-N 364.377 1.075 0 40 FDAB C[C@H](CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 58392759 MSTBEFVZPTUGKP-IEBWSBKVSA-N 373.497 1.477 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 48260210 SOYGNXUMBIQVOZ-UHFFFAOYSA-N 374.466 1.742 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc2c(c1)OCCO2 12849761 QXFAYDUHWVSFIT-UHFFFAOYSA-N 351.362 1.553 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Br 8120840 VGUSDJMXADXBIU-SECBINFHSA-N 371.235 1.164 0 40 FDAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cnccn1 3523880 OHHMUSKVUIWXNV-UHFFFAOYSA-N 361.155 1.604 0 40 FDAB Cc1cccc(N(CCCC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 8480574 GRWXKTDNDXWILH-MRXNPFEDSA-N 354.472 1.836 0 40 FDAB CNC(=O)c1c(NC(=O)C[C@H]2SC(=O)NC2=O)sc2c1CCCC2 4318567 DVFYFWBDXXZBNL-SECBINFHSA-N 367.452 1.667 0 40 FDAB CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14019977 SMPJIBURLTVWKH-UHFFFAOYSA-N 352.456 1.596 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N(C)C 14071741 XFVRSPOAAYHTKC-MRXNPFEDSA-N 366.421 1.964 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1 14244455 HIXWXEOVRICULB-UHFFFAOYSA-N 353.350 1.511 0 40 FDAB C[C@H]1CN(c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5459183 FEPKDKIVVVZRAQ-JTQLQIEISA-N 359.817 1.875 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)c3cnc4n(c3=O)CCS4)ccc21 15760078 OYEUXFWCXNOBRN-UHFFFAOYSA-N 356.407 1.510 0 40 FDAB COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](O)c2cccnc2)c1C 84007941 FQYOYYIJJXWSSE-AWEZNQCLSA-N 361.398 1.293 0 40 FDAB O=C(COC(=O)c1cc(Cl)ccc1O)NC(=O)NCC(F)(F)F 9314137 JJJVFQGGKGWRNC-UHFFFAOYSA-N 354.668 1.591 0 40 FDAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1nccs1 9576533 YOLZXOFFEVDUOU-VIFPVBQESA-N 357.395 1.066 0 40 FDAB COc1ccc(-c2n[nH]c(SCc3nc(N)nc(N)n3)n2)c(OC)c1 71831378 IWKHIUKFZDMTEC-UHFFFAOYSA-N 360.403 1.131 0 40 FDAB CN1CCN(C[C@H](CC(=O)Nc2cccc3cccnc23)C(=O)O)CC1 72405360 KEQBGUPVYINOFO-HNNXBMFYSA-N 356.426 1.512 0 40 FDAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCc4nnc(C)n4C3)c2)n1 95432717 OAGLTCSWWPHZNT-AWEZNQCLSA-N 364.409 1.846 0 40 FDAB O=C(c1ccccc1)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 95998334 UIGDOXICSQQDFD-IBGZPJMESA-N 371.481 1.614 0 40 FDAB O=C(Cn1nc2c(Cl)cccn2c1=O)N1CCC[C@H](C(F)(F)F)C1 95966014 RHSBHBSVELSJAB-VIFPVBQESA-N 362.739 1.950 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)C3)c2ncccc2c1 74977074 CTZKVDKZMCMZQY-UHFFFAOYSA-N 359.451 1.834 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 34857771 DYWUIILZJVRVLE-ZDUSSCGKSA-N 373.906 1.561 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(NC=O)CCCCC2)c1 35170808 HVFLEGSIMLPHFO-UHFFFAOYSA-N 362.382 1.647 0 40 FDAB Cc1cc(-c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)n[nH]1 1501040193 DQXLUJKEELJJKE-SECBINFHSA-N 367.460 1.023 0 40 FDAB NC(=O)c1ccc(N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1 542764872 HSWWSATUIIRIMY-UHFFFAOYSA-N 366.469 1.892 0 40 FDAB Cc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)N3CCOCC3)c(=O)n12 72347045 RPRIOKLMYBMXIC-UHFFFAOYSA-N 354.410 1.433 0 40 FDAB C[C@@H](c1ccsc1)N1CCN(C(=O)Cc2nc3ncccn3n2)CC1 184356461 XHPDPVJMEOCCAJ-ZDUSSCGKSA-N 356.455 1.634 0 40 FDAB NC(=O)c1ccccc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 70641420 LSUUDOBGRQSKBT-MRXNPFEDSA-N 353.378 1.152 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 218167779 SKANLEXBWIVOHE-QZTJIDSGSA-N 374.462 1.567 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1-n1cnnn1 40088180 ZAPOZYRFBQROCQ-UHFFFAOYSA-N 367.394 1.233 0 40 FDAB O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cc2n(n1)CCC2 574957413 KAWFALCXLRRAKK-CQSZACIVSA-N 366.400 1.972 0 40 FDAB COc1ccc(C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)cn1 225746495 SRTPOJNNEZDCQA-UHFFFAOYSA-N 365.353 1.421 0 40 FDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccc(O)c2)o1 96115442 FKGRSKGXFJBMOG-OAHLLOKOSA-N 359.378 1.740 0 40 FDAB biogenic CC(C)CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2O)C1=O 96193735 IJVBNDWTLHGRQL-UHFFFAOYSA-N 355.416 1.067 0 40 FDAB CN(CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 95512981 WAZYRJFARNNFTB-NRFANRHFSA-N 370.493 1.909 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2nc[nH]c(=O)c2c1 96116164 SGSXOCYLYMNDGD-UHFFFAOYSA-N 361.361 1.662 0 40 FDAB biogenic Cc1cccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)c1 245237293 IKMWSBLOAPIKNU-SQWLQELKSA-N 365.455 1.341 0 40 FDAB C[C@@H]1C(=O)[C@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O 245239225 GPITUBGISIVOSF-LUYFFIEMSA-N 352.471 1.118 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C2CCOCC2)Cc2ccnn21 247501434 QAUSPSYDRVXJBV-QGZVFWFLSA-N 360.483 1.839 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2cccn2C)no1 248117824 JDRQXBPIHSLWPR-OAHLLOKOSA-N 358.442 1.733 0 40 FDAB CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257295199 QXJVFSMEYRKMFZ-MBNYWOFBSA-N 358.471 1.878 0 40 FDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ccccc2OCC(=O)O)n1 257277184 NWTXQYHSQVNJRY-HNNXBMFYSA-N 359.382 1.528 0 40 FDAB Cc1ccc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)cn1 257315737 VCOBJJQZXGWMGW-SFHVURJKSA-N 352.438 1.244 0 40 FDAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCC(=O)O)C3)c2n1 257239178 HOFQXPMDPNXWHP-LJQANCHMSA-N 372.425 1.203 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](Cc3cc(C(=O)N(C)C)ncn3)C2)no1 257294400 QTYRWJXLLZPLBH-ZDUSSCGKSA-N 357.414 1.570 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cn(C)nc2C)C1 257308637 TXMMVGHPWKINDS-LJQANCHMSA-N 357.458 1.223 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3cncnc3)C2)cc(C(=O)N(C)C)n1 257316184 VEMYLWVBHYGEIO-CQSZACIVSA-N 368.441 1.372 0 40 FDAB COc1ccc2c(N3CCN(CCc4cnccn4)CC3)ncnc2c1F 601253097 DSVJMDQCVNLLFH-UHFFFAOYSA-N 368.416 1.932 0 40 FDAB C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CS1(=O)=O 665158008 ADUYREDSGVMDDJ-VHDGCEQUSA-N 369.462 1.669 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccccc1 683440948 OSKHRUHNUBUJLH-IAGOWNOFSA-N 371.368 1.462 0 40 FDAB COc1ccc(CC(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)cc1F 1615590108 ZESXGBWLTCMGFI-DZKIICNBSA-N 350.390 1.223 0 40 FDAB O=C(c1ccnc(F)c1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 585113555 MUQUVVSSUGXYJU-LJQANCHMSA-N 356.401 1.985 0 40 FDAB O=C(Cn1ncc2c1C[C@@H](O)CC2)N1CCN(c2ccccc2F)CC1 682189055 QWJYDUKBNWSUFA-HNNXBMFYSA-N 358.417 1.221 0 40 FDAB C[C@@H]1[C@@H](NC(=O)CN2CCN(c3nc(N)ns3)CC2)CCC[C@H]1C 107152263 DTJJMNUETWNUSJ-AGIUHOORSA-N 352.508 1.183 0 40 FDAB COC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 12909669 GYXPSIRGNQTCEU-UHFFFAOYSA-N 363.391 1.738 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)CCc4ccccc4)CC3)ncnc21 13532736 KRFRKHQMHKSFSZ-UHFFFAOYSA-N 351.414 1.040 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 15393197 JFFCKRGFEBCOAV-ZDUSSCGKSA-N 353.382 1.755 0 40 FDAB O=C1[C@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CCc1ccccc1 18168331 APQDTZWXYXIMKA-LFRPXUGBSA-N 361.401 1.281 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19238415 HBWAABRKFPKTEA-UHFFFAOYSA-N 368.485 1.766 0 40 FDAB C[C@H](CN1CCCC1)NC(=O)CN1C(=O)COc2c(Cl)cccc21 19661114 NBFHHWWFXDAJIW-GFCCVEGCSA-N 351.834 1.666 0 40 FDAB CNC(=O)c1ccc([C@H]2CCCN(C(=O)CCc3nc(C)no3)C2)nc1 19706043 TVDXXYGLKSYKRW-AWEZNQCLSA-N 357.414 1.471 0 40 FDAB CN(C)c1ncc(CN2CC[C@@H](C(=O)NCCc3ccccc3)C2)cn1 19748157 UURRFNOEOZTEQU-GOSISDBHSA-N 353.470 1.723 0 40 FDAB Cc1nc(C)c(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 159231065 JMXSJUJTMFHHLC-UHFFFAOYSA-N 366.512 1.730 0 40 FDAB CNc1cc([C@H]2CCCNC2)nc(CN(C)S(=O)(=O)C2CCCC2)n1 19752126 DWWDROMMVCNGEA-ZDUSSCGKSA-N 367.519 1.690 0 40 FDAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)NC(N)=O)cc12 6078684 MWEQNVDXIRYKAS-UHFFFAOYSA-N 372.406 1.806 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4csnn4)CC3)nc2)cn1 1889213699 FVDLMLDYGGRMIH-UHFFFAOYSA-N 371.426 1.412 0 40 FDAB O=C(CCc1cncnc1)N1CCN2C[C@@H](OCc3ccccc3)C[C@H]2C1 1565548207 ZTHUQWLGPNJUAQ-PMACEKPBSA-N 366.465 1.911 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3ccccn3)C2)C1 1565544304 DIUMYLLVUBKFFZ-QXOCSCLMSA-N 357.454 1.419 0 40 FDAB CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327943 NULCTBVBUBPCCC-UHFFFAOYSA-N 357.395 1.801 0 40 FDAB CCCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071656 LXDGZECAWRWLFT-UHFFFAOYSA-N 357.389 1.697 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(C(C)C)CC2)cc1 12441421 KDLLJSFANCUZAC-UHFFFAOYSA-N 360.458 1.820 0 40 FDAB O=C([C@H]1CS(=O)(=O)CN1C(=O)c1ccccc1)N1CCc2ccccc21 12732339 AWQNLRBOANEMOV-QGZVFWFLSA-N 370.430 1.473 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 13704960 ZSUYMQKPJNCLPD-UHFFFAOYSA-N 350.400 1.347 0 40 FDAB CC(C)(C)NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 16847338 GKWPBBGKKYRQOX-KRWDZBQOSA-N 361.486 1.871 0 40 FDAB CC1=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C 22067382 IJNKOCJUWUUMCV-UHFFFAOYSA-O 362.449 1.607 0 40 FDAB in-vitro O=C(NCc1ccco1)C(=O)NC[C@](O)(c1ccco1)c1cccs1 253473623 WUFLFKNNVJRXQL-KRWDZBQOSA-N 360.391 1.603 0 40 FDAB CC(C)Oc1cccc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 2298070648 HLTKIPVRZPVUBE-UHFFFAOYSA-N 353.430 1.872 0 40 FDAB CCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN(C)C1CCCCC1)CO2 2332242976 RAHFWAQEAVZUAS-HNNXBMFYSA-N 358.504 1.056 0 40 FDAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 40058535 VULKVCBUXXJRMQ-AWEZNQCLSA-N 368.455 1.879 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)C2=O 40161983 TZNKCILWTSLSEM-MWCFJMDPSA-N 371.393 1.300 0 40 FDAB Cc1nc(C)c(CC(=O)NCc2ccccc2CN2CCCC2=O)c(=O)[nH]1 31368672 JMFWSWCZQPTYLV-UHFFFAOYSA-N 368.437 1.368 0 40 FDAB Cn1c(SCCn2nc3ccccn3c2=O)nc2ccsc2c1=O 31849451 NGCQRNAPCWZZON-UHFFFAOYSA-N 359.436 1.597 0 40 FDAB CCNC(=O)COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1OC 51188188 ORVCDXAYDUOSTC-LAUBAEHRSA-N 370.449 1.958 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncccn3)CC2)c1C 16483516 SXQMZGUKRLOKAH-UHFFFAOYSA-N 371.441 1.603 0 40 FDAB O[C@H]1[C@H](COCc2ccccc2)O[C@@H](O)[C@@H](O)[C@H]1OCc1ccccc1 4789435 IUJRWTGQTYKGLM-VYJAJWGXSA-N 360.406 1.228 0 40 FDAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccc(F)cc1 4984607 OCDBCJUAQHVGQQ-UHFFFAOYSA-N 355.329 1.647 0 40 FDAB O=C(Nc1nncs1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 21215026 NUIUCDQQSRWRLC-JTQLQIEISA-N 370.431 1.717 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 7077765 SEEPYKJGECTXGG-AWEZNQCLSA-N 372.487 1.685 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 7104390 HIYUTOUOHDCDBX-LJQANCHMSA-N 356.426 1.056 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1 10384990 LEZCTCDWKCLIFQ-ZIAGYGMSSA-N 364.423 1.381 0 40 FDAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCC(N)=O 8253788 LZBRGZOYROJBSN-UHFFFAOYSA-N 371.850 1.909 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1 9053767 NIJWBJVEQZGOHH-UHFFFAOYSA-N 368.436 1.821 0 40 FDAB O=S(=O)(c1ccc(Sc2nnnn2C2CC2)nc1)N1CCCCC1 8026438 DLAGUOSYRCTHHW-UHFFFAOYSA-N 366.472 1.729 0 40 FDAB C[C@H](CNC(=O)CSc1nnc(C2CC2)n1CC(N)=O)c1ccccc1 23351963 RMYQICGGEPSFMW-GFCCVEGCSA-N 373.482 1.653 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OC 12489057 IIJXSLRYBBBQOP-UHFFFAOYSA-N 366.414 1.981 0 40 FDAB O=C(NC[C@H]1CCCO1)c1sccc1S(=O)(=O)N1CCCCC1 25182750 FOAJHAACIYPGJA-GFCCVEGCSA-N 358.485 1.832 0 40 FDAB C[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1 25412200 HGCXGWLGVMLOHC-HOTGVXAUSA-N 359.470 1.648 0 40 FDAB COCCCn1c(SCCn2c(=O)oc3ccccc32)n[nH]c1=O 26041787 XCKRKHFFIKLXLO-UHFFFAOYSA-N 350.400 1.308 0 40 FDAB C[C@@H](Sc1nncn1C)C(=O)NCCNc1ccc(C(F)(F)F)cn1 56883168 CCENZXYGAFVJBU-SECBINFHSA-N 374.392 1.938 0 40 FDAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccccc1 57414362 FULJYVLEHRXZKM-INIZCTEOSA-N 361.467 1.907 0 40 FDAB O=C(CN1CCCC[C@@H]1C(=O)N1CCCC1)NC(=O)Nc1ccccc1 58215183 FHYQFWWYGIYLAT-MRXNPFEDSA-N 358.442 1.812 0 40 FDAB CCN(c1cccc(CO)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 58232522 VXZKMOWSZADJJB-UHFFFAOYSA-N 362.407 1.839 0 40 FDAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2cnccn2)CC1 58228726 NFIVGAMMDSVCCS-UHFFFAOYSA-N 368.393 1.123 0 40 FDAB Cc1cc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH]nc(O)c23)c(C)o1 58281888 SYTVEUKGJNHOCC-UHFFFAOYSA-N 356.338 1.207 0 40 FDAB CC(C)[C@H](N)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1 2138340 ZGRBSLVRMGDOMZ-BCLQGDPASA-N 367.490 1.216 0 40 FDAB biogenic O=C(CNC(=O)Cc1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 24816938 BSSUJUZQWANXLA-SFHVURJKSA-N 351.450 1.988 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 12783012 TUVUNHMQRQQDOQ-AWEZNQCLSA-N 363.439 1.407 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2c([nH]c1=O)CCCC2=O 28430804 VTGXMVRZMQWDBT-UHFFFAOYSA-N 368.389 1.937 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 12773183 OKIMESIYHJQVPJ-CYBMUJFWSA-N 357.435 1.473 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 2420060 LBKATWMRITXIBP-CYBMUJFWSA-N 368.455 1.073 0 40 FDAB COc1ccc(C[C@@H](NC(=O)CNC(N)=O)c2ccc(OC)cc2)cc1 12872349 REEDZBDMKXMREK-QGZVFWFLSA-N 357.410 1.772 0 40 FDAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)c(F)c1 12810795 RDMKQNMNYCRKKM-UHFFFAOYSA-N 369.393 1.675 0 40 FDAB NC(=O)c1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 12869133 FMOOVDCRUNYPML-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB COCCCN(C(=O)C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8343966 MRSVWOLHEDRALL-UHFFFAOYSA-N 374.441 1.193 0 40 FDAB CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(F)cc3)cn2)CC1 14160790 GMVRGWQWIDNYGM-UHFFFAOYSA-N 371.416 1.341 0 40 FDAB COc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)sc2c1 6647723 HSPXIBPTGCTEKW-QGZVFWFLSA-N 374.422 1.964 0 40 FDAB CC(=O)N1CCC(NC(=O)CN2C[C@@H](c3ccccc3)OCC2(C)C)CC1 66897196 KJSLVJWROKKFST-IBGZPJMESA-N 373.497 1.966 0 40 FDAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCCCCC1 7172892 IYSREWYSXIRNQK-CYBMUJFWSA-N 357.410 1.881 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)[C@@H]1C 7250917 SWVHDJRQBDSBSD-XJKCOSOUSA-N 357.414 1.760 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 19310371 KKESDPNUUPLIAM-CQSZACIVSA-N 368.455 1.004 0 40 FDAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1 9344394 WASIIVWEXBOOSI-UHFFFAOYSA-N 369.487 1.118 0 40 FDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 97002391 IFUWTVBNZUBYJF-LLVKDONJSA-N 365.430 1.887 0 40 FDAB C[C@H]1c2cccn2CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F 72274626 VXTWNCDFMGMCKU-NHYWBVRUSA-N 356.348 1.965 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cn1 95961291 OKGRZSMPEVDBAP-SFHVURJKSA-N 367.453 1.374 0 40 FDAB Cc1ccc(-n2nc(C(=O)OCC(=O)N3CCNC3=O)c3c2CCC3)cc1 31432061 KTRPFHIFYCAQHS-UHFFFAOYSA-N 368.393 1.378 0 40 FDAB Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218249533 WKBASTRHGPAGMJ-CPUCHLNUSA-N 354.472 1.728 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 79448870 XIKDFLACFMKEBB-UHFFFAOYSA-N 350.227 1.754 0 40 FDAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218191636 ZOUBLUUFFYHYFO-NTZNESFSSA-N 362.245 1.220 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1cccs1 77264211 HVTWAJVHJQUXBZ-FMKPAKJESA-N 350.415 1.535 0 40 FDAB biogenic,in-vitro COCc1cc(C(=O)O)cc(S(=O)(=O)NCc2cnn(C)c2C)c1 563073612 XVOPLLLYGJCKBG-UHFFFAOYSA-N 353.400 1.052 0 40 FDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCn2nnc3ccccc3c2=O)C1 47415774 MBCVDAWZPSAJPD-IYBDPMFKSA-N 371.485 1.666 0 40 FDAB COc1cccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 224073631 FZLLJRDYXIPRMN-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCCSc2nc(C)n[nH]2)c1 222976276 NUAJESWAQSRKTN-UHFFFAOYSA-N 358.445 1.201 0 40 FDAB CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cncc(N4CCOCC4)c3)CCC[C@H]2C1 578097568 BUVASRZWCOUDMP-IPELMVKDSA-N 372.469 1.295 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@H](Cc2cccc(Cl)c2)C(=O)O)cn1 578108124 ZNVOBXKUXYGWJY-NSHDSACASA-N 357.819 1.295 0 40 FDAB CC(C)Cc1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1 95472148 FOWMGTLEINGZOX-NSHDSACASA-N 367.413 1.871 0 40 FDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(F)c2)C[C@H]1O 257293043 QNXONJQZTQHMFO-RBSFLKMASA-N 368.405 1.287 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 257282036 OSAZHSFKZIAALC-KRWDZBQOSA-N 374.462 1.940 0 40 FDAB CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@H](O)CC[C@]4(CO)[C@@H]3CC[C@@]12C 257348207 CEOUYEBWMNZTMV-GXQGPDAOSA-N 366.498 1.797 0 40 FDAB CCn1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)c(C)n1 257214693 CNBOTJZACDJPCB-GOSISDBHSA-N 358.446 1.105 0 40 FDAB NC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)C2CCOCC2)C1 257244035 IJOOBMFMNWBLAY-NSHDSACASA-N 360.439 1.533 0 40 FDAB CC(C)c1nnc(COC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)o1 606445787 LGWMROZHSKRLQT-OAHLLOKOSA-N 359.382 1.760 0 40 FDAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCC[C@@H](N2CCNC2=O)C1 635422797 UKSUPARTWUIDKB-SNVBAGLBSA-N 358.320 1.436 0 40 FDAB Cc1nn(-c2ccccc2)cc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643754574 ADIAOIUJZXLOIO-HXUWFJFHSA-N 356.470 1.986 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NC(=O)CCc3cccs3)cc2N1 585270448 CYYJPNZPSKCPJD-UHFFFAOYSA-N 366.420 1.517 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@](CO)(Cc2ccccc2F)C1 585276795 JERDMMKNDFMVCO-MRXNPFEDSA-N 353.781 1.648 0 40 FDAB CC(=O)N1CC[C@H](NCCn2nc(C)nc2C)[C@H](Cc2ccccc2)C1 585283960 DLPMWNPLBWCXEA-UXHICEINSA-N 355.486 1.964 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1C(=O)O 580837207 OJPWFNTUGCBAOL-NILFDRSVSA-N 369.439 1.875 0 40 FDAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)NC(C)C)CC2)C1 12365546 CKYBXEILXUZOHC-UHFFFAOYSA-N 359.470 1.787 0 40 FDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14153578 MDFJVQNABQCNGW-FZMZJTMJSA-N 360.863 1.790 0 40 FDAB Cc1nonc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19740608 LNZOFXGBAYVPRK-LBPRGKRZSA-N 356.386 1.363 0 40 FDAB CCn1cncc1C(=O)N1CCO[C@@H](C(=O)N2CCc3ccccc3C2)C1 19750396 GLIAUBZBCAXYAL-GOSISDBHSA-N 368.437 1.329 0 40 FDAB CN(C)c1ccc(O[C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225450527 NYDXIQVISBFMAB-CYBMUJFWSA-N 354.476 1.658 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 226318334 AHYRDRQSEGNFOI-STQMWFEESA-N 366.439 1.687 0 40 FDAB C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)C[C@H](C)O1 5438363 MAIPWJZZMHFUMM-QWRGUYRKSA-N 366.487 1.959 0 40 FDAB O=C([C@H]1CCCN(Cc2nnc([C@@H]3CCOC3)o2)C1)N1CCSCC1 1888857010 MQUGXQLVMHOEMI-UONOGXRCSA-N 366.487 1.361 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)ncnc21 1888904312 OSEDKQXUOROZEX-ZIAGYGMSSA-N 363.425 1.450 0 40 FDAB Cc1nc(C)c(CCC(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c(=O)[nH]1 26000055 RJLMPXZHJORSQQ-CYBMUJFWSA-N 357.410 1.914 0 40 FDAB COC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1Cl 31377342 HBKAMSITRTZYNA-CYBMUJFWSA-N 366.801 1.600 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)CC1 239578930 DBGIKMDUNPLLGP-UHFFFAOYSA-N 356.375 1.266 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614930298 OEIOOHDUKOFBEP-FQEVSTJZSA-N 365.437 1.850 0 40 FDAB Cc1cc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)nc(N(C)C)n1 2087122352 SFKBHGOUAUNBTE-UHFFFAOYSA-N 355.490 1.395 0 40 FDAB COc1cc(C(=O)N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)on1 1565546559 HBSCBZLNMXLEEY-UHFFFAOYSA-N 370.409 1.876 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cccn(C)c4=O)C[C@H]3C2)cs1 1565542679 IMPQHHSQTQNXAN-ZIAGYGMSSA-N 358.467 1.354 0 40 FDAB COc1cc(C(=O)N2CCCn3cnc(C(=O)NCC(C)C)c3C2)on1 1565547345 PXQDJGJNUHJSEO-UHFFFAOYSA-N 361.402 1.312 0 40 FDAB C[C@@H]1CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C[C@@H](C)O1 4304804 BETBGWHZTHUUBZ-VXGBXAGGSA-N 351.428 1.076 0 40 FDAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 5437851 DVKKKZIRECHNBU-UHFFFAOYSA-N 374.466 1.937 0 40 FDAB CCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569850 MDGJXFYEWFNDBL-UHFFFAOYSA-N 371.478 1.584 0 40 FDAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccccc1 17179144 SUENPNOMBSUDKB-IBGZPJMESA-N 367.449 1.493 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)[C@@H]5CCCCO5)C[C@H]4C3)ncnc21 2086894024 OKYAEBMBEOJJOT-ZNMIVQPWSA-N 370.457 1.310 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4cc(C5CCC5)ncn4)C3)nn12 585608392 XOOSUDJCOZRUJM-UHFFFAOYSA-N 350.430 1.815 0 40 FDAB O=C(NC[C@@H]1CCOC1)c1sccc1S(=O)(=O)N1CCCCC1 40089180 LXOSPKVVRULUAC-LBPRGKRZSA-N 358.485 1.689 0 40 FDAB CC(=O)N1CCN(C(=O)CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)CC1 40152181 FPXDABSFPYRDAI-UHFFFAOYSA-N 368.499 1.061 0 40 FDAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566107 RKVYHCQSKJGWCL-UHFFFAOYSA-N 354.472 1.846 0 40 FDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)Nc1cccc(O)c1 932424 JXBLGVIOCWYONN-UHFFFAOYSA-N 371.378 1.827 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCOCC1 1330876 QDNZWMLNOKHEAS-UHFFFAOYSA-N 373.800 1.094 0 40 FDAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1 1361349 DKUIODGGAZFBAR-UHFFFAOYSA-N 360.443 1.772 0 40 FDAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6204843 NUXYCWXCGBELMA-RYUDHWBXSA-N 358.460 1.675 0 40 FDAB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NC(N)=O 6970384 SGAQBPWYZGKXSN-XFFZJAGNSA-N 353.294 1.884 0 40 FDAB Cc1ccc([C@@](O)(CCNC(=O)[C@H](C)S(C)(=O)=O)C(F)(F)F)o1 52469931 WIWJQKLAKRINEY-CABZTGNLSA-N 357.350 1.277 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 7881090 JRJTVASSOOJVRT-OAHLLOKOSA-N 352.456 1.688 0 40 FDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc(Cl)c1 10339403 HFZUIAPBMUGGHP-KGLIPLIRSA-N 365.817 1.378 0 40 FDAB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)cc1 8474349 ISEFKXVFUHSWKJ-UHFFFAOYSA-N 363.395 2.000 0 40 FDAB CCn1ncc(Br)c1C(=O)Nc1cnn(CC)c1C(N)=O 2779019 VEHHOZXXEPJQRA-UHFFFAOYSA-N 355.196 1.233 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cccn3)cc2)n(C)c1 42118072 LOIGARSWPQLGKO-UHFFFAOYSA-N 373.438 1.049 0 40 FDAB COc1ccc(CN2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 22777561 LNYYOONFFXMBBX-OALUTQOASA-N 369.465 1.722 0 40 FDAB O/C(=C\c1ccccc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)/C(O)=C\c1ccccc1 112964494 NWXADGGHXYSLSP-KNDSLIAQSA-N 358.390 1.628 0 40 FDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1Cl 56070126 LGUALWUICQYLOH-UHFFFAOYSA-N 362.732 1.778 0 40 FDAB Cc1ccc(OCCNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 26280215 AMKZZKXDKBDOMR-UHFFFAOYSA-N 355.460 1.097 0 40 FDAB O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(F)cc2)CC1 12534526 PBIWOIZTGYUSNV-UHFFFAOYSA-N 360.414 1.451 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCN(C(C)=O)CC2)sc(C)c1C 35600705 MGOCPLMLPYBYBK-UHFFFAOYSA-N 367.471 1.644 0 40 FDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 60512664 PLFHZQBPCDOVQG-AWEZNQCLSA-N 354.472 1.931 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 36107527 IESZWKSHHQGSBM-HNNXBMFYSA-N 352.456 1.315 0 40 FDAB C[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11137724 KGEORHKEZMEBRS-UWVGGRQHSA-N 361.366 1.660 0 40 FDAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NC1CC1 3536774 SIOOFJXLZVKOSJ-CYBMUJFWSA-N 359.451 1.946 0 40 FDAB O=C(O)C1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 13035910 GAXSGPPUOOCOEQ-UHFFFAOYSA-N 350.444 1.906 0 40 FDAB O=C(NCC[C@@H]1CCOC12CN(c1ncccn1)C2)C1CC(F)(F)C1 306130236 IZQUHVYFWPIVIO-CYBMUJFWSA-N 352.385 1.624 0 40 FDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O 13540014 HTSUNESGJJOYSQ-UHFFFAOYSA-N 369.425 1.393 0 40 FDAB CCOC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 4342976 LJHKHOIKPCDJGX-UHFFFAOYSA-N 356.172 1.558 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 13985610 PYEFLFDHAZDTJY-NSHDSACASA-N 358.394 1.301 0 40 FDAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(N)=O 5326062 SMSJUQKMSARLDX-SNVBAGLBSA-N 354.407 1.781 0 40 FDAB COc1ccccc1C(=O)COC(=O)Cn1cnc2ccccc2c1=O 6544359 NYJGHOMAHCGYEZ-UHFFFAOYSA-N 352.346 1.831 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)C[C@@H](C)O1 14360143 MLRKLHLAKZTNDK-IIAWOOMASA-N 359.426 1.175 0 40 FDAB COc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6647784 RPEMMJBYDZCTKF-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCC[C@H]2CO)c1 5694481 XNWZEHUHMFFWNC-ZDUSSCGKSA-N 357.501 1.481 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 9059762 AFZNVVFRJVVMLZ-CQSZACIVSA-N 366.425 1.894 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(CCN2CCCc3ccccc32)CC1 84722034 PPLUSFCXAAEULH-SFHVURJKSA-N 358.530 1.972 0 40 FDAB O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 95475546 SDYFHFAMXUTYDQ-OAHLLOKOSA-N 351.414 1.095 0 40 FDAB O=c1[nH]c2ccccc2cc1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 74374119 KMOOPUAZVFYZRI-LPHOPBHVSA-N 357.454 1.355 0 40 FDAB COC(=O)C[C@H](NC(C)=O)C(=O)OCc1cc(Cl)cc2c1OCOC2 79023164 KVWJDWUVDKVFHE-ZDUSSCGKSA-N 371.773 1.318 0 40 FDAB O=C1CN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]2CCCC[C@H]2N1 79104093 YZXBLKKLIQCJKE-HUUCEWRRSA-N 358.398 1.918 0 40 FDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H](c1ccccc1)n1cnnn1 79191316 AZXUDBMIGOQMQW-KSZLIROESA-N 354.458 1.643 0 40 FDAB biogenic CC(C)CNC(=O)c1nnc2n1CCN1CCN(CC3CCCCC3)C[C@@H]21 306140130 ULGJILZGYIIYPE-KRWDZBQOSA-N 374.533 1.917 0 40 FDAB COCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC(C)C 67237644 HCRIRIUIDWRXPI-UHFFFAOYSA-N 352.460 1.544 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1NS(C)(=O)=O 32771571 LLWGULZJXSICNK-JTQLQIEISA-N 368.415 1.802 0 40 FDAB COCc1n[nH]c(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)n1 524732661 UWPZVUAWTVCZGI-UHFFFAOYSA-N 356.338 1.736 0 40 FDAB CCOC(=O)[C@@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218191850 ZOUBLUUFFYHYFO-GVXVVHGQSA-N 362.245 1.220 0 40 FDAB C[C@H](C(=O)NC1CCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326793 GVADOCYUNBUVED-ZUOKHONESA-N 370.453 1.608 0 40 FDAB O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 79488896 QGSCXOVPBPPIPN-HNNXBMFYSA-N 369.425 1.673 0 40 FDAB COc1cc(C(=O)NCC(=O)N2CCCC2)cc(OC)c1Br 40034685 WXTXMDJZFXNMGQ-UHFFFAOYSA-N 371.231 1.819 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)c1 225515070 YTTADVSWWKVFCX-QWHCGFSZSA-N 354.410 1.445 0 40 FDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)NCc1cccc(Cl)c1 49548042 ZZTFRHGVKOPAMJ-UHFFFAOYSA-N 362.817 1.050 0 40 FDAB Cc1cc(N2CCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225905098 KIYXCGBZSMDYMA-UHFFFAOYSA-N 350.492 1.004 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3ccccn3)C2)C1 96229062 VKILJMITUWYJOG-QGZVFWFLSA-N 351.472 1.493 0 40 FDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)s1 96042780 TYMWBCIEOGKBOL-RRFJBIMHSA-N 359.455 1.542 0 40 FDAB O=C(c1cccnc1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061758 JZANCVPDYKDZOY-LLGFUMIMSA-N 360.417 1.879 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)c2ccsc2)C[C@@]2(CC(=O)N(C)C2)C1 96036065 BTGDWIXFVCNEOE-GOSISDBHSA-N 363.483 1.537 0 40 FDAB CC(C)C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 332832830 UHDBJEPMBHHTAQ-SOUVJXGZSA-N 361.508 1.161 0 40 FDAB Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1nccs1)C2 96060732 OMEWOUNZRBUHLJ-CQSZACIVSA-N 356.455 1.983 0 40 FDAB Cc1cc2ncc(C(=O)N[C@@]3(CO)COc4ccccc4C3)c(C)n2n1 529820506 REJUSDXNDZWDOI-IBGZPJMESA-N 352.394 1.442 0 40 FDAB Cc1noc(C)c1CCC(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257214756 CNHVAGLWBJGENM-LJQANCHMSA-N 358.442 1.767 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)Cc4ccccn4)C3)ccnc12 257301163 RXGDGZGRZRIXKS-CYBMUJFWSA-N 364.409 1.043 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 585079964 XPFUVDKXNALEMM-OAHLLOKOSA-N 353.419 1.992 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc3ccccc32)C2(CCNCC2)C1 257279119 OFCHAHGCVUHSLN-SFHVURJKSA-N 368.481 1.809 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(C)ncc1CN(C)C 257298438 RLPLFPSEGDPEKU-OAHLLOKOSA-N 355.508 1.570 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ncoc3C)cn2)CC1 257298050 RJXGIOVRCNGPCZ-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB Cc1nn2cccnc2c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 601014526 ODMOXEOSBQBCJD-UHFFFAOYSA-N 371.466 1.544 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 629895866 XRYZGTRMWPDYGL-JKSUJKDBSA-N 365.499 1.301 0 40 FDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cn4nccc4nc3C)C2)nc(C)n1 648297022 FNNXTMJXOYYSPX-OAHLLOKOSA-N 365.441 1.843 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2ccc3nccn3c2)C1 1775957077 BQKVQCGKWVPVHF-KGLIPLIRSA-N 352.398 1.474 0 40 FDAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCn3nnnc32)C1 294170710 WKBAPYSGUBVFOF-ZDUSSCGKSA-N 358.377 1.101 0 40 FDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12)c1ccncc1 575406390 OHLSSZJTHHVTJA-CGTJXYLNSA-N 367.405 1.304 0 40 FDAB CNc1cc(C(=O)N2CC[C@](COc3ccc(F)cc3)(OC)C2)ccn1 585276079 JGWZFIWTDNGZQX-IBGZPJMESA-N 359.401 2.573 0 40 FDAB COc1cccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 585112296 NBDMIGLWQGELQW-MRXNPFEDSA-N 364.471 1.388 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cncs1)O[C@H](C)C(=O)N2 585272833 OWLPXDIDZMETET-MRVPVSSYSA-N 367.408 1.290 0 40 FDAB CC(C)(C(=O)O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 580450067 HYNKNSCNYFTAJO-UHFFFAOYSA-N 370.352 1.683 0 40 FDAB O=C(c1ccc(Br)cc1O)N1CCN(c2ncccn2)CC1 58178898 HFTNOMOBGGHGAD-UHFFFAOYSA-N 363.215 1.907 0 40 FDAB OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 5882942 SQMQFRFGCSHRSM-KONPQCLYSA-N 360.435 1.003 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cn3cc(Cl)ccc3n2)c1 12507737 STFFXWZEXQCGTQ-UHFFFAOYSA-N 366.830 1.448 0 40 FDAB CCOCCCNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715643 XXSLRFVRIZPECD-HNNXBMFYSA-N 360.451 1.913 0 40 FDAB COc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1OC 18115982 RTFUCYWHCSBBSC-UHFFFAOYSA-N 369.377 1.736 0 40 FDAB C[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2[nH]1 19748809 BHHVJFIMLOBRKN-GFCCVEGCSA-N 364.471 1.802 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)Cc3csc(C)n3)CC2)cn1 19749109 JTGSRRCGGFPEFZ-AWEZNQCLSA-N 373.482 1.904 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1cc(OC)c(C(=O)O)cc1Cl 655595543 RWRXROZCSWXESA-UHFFFAOYSA-N 373.818 1.996 0 40 FDAB COc1ccccc1CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8982049 TWWQOFACUNXXAC-JLTOFOAXSA-N 373.453 1.855 0 40 FDAB Cn1c(N2C[C@H]3CN(C(=O)c4ccc(O)nn4)C[C@H]3C2)nc2ccccc21 1888890416 AKWAUQBJBNENSE-BETUJISGSA-N 364.409 1.277 0 40 FDAB O=C(c1cn[nH]c1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888897099 ADWJBFMJLXQPQW-LLVKDONJSA-N 353.386 1.266 0 40 FDAB Cc1ccc(N2C[C@@H]3CN(C(=O)c4cnc5ccccc5n4)C[C@H]3C2)nn1 1888913333 PETJEMZZAAGKQV-HUUCEWRRSA-N 360.421 1.937 0 40 FDAB CCCCn1nnnc1COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 19297649 AEMZMHVJGAFCFS-CQSZACIVSA-N 357.414 1.878 0 40 FDAB Cc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n2ncnc2n1 1776009760 PNJARJRXPWYBJJ-UHFFFAOYSA-N 350.430 1.817 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1c(F)cccc1Cl 2037971288 WFLMDQWIKGEEMS-ZSYWTGECSA-N 365.832 1.989 0 40 FDAB Cn1ccnc1CN1CCCCOCCNC(=O)c2ccccc2OCC1 2037988985 QBTRVVKYJJXZNV-UHFFFAOYSA-N 372.469 1.841 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4cc[nH]n4)C[C@H]32)CC1 1565546501 DFVXZHYPSQIIRV-HIFRSBDPSA-N 352.442 1.848 0 40 FDAB O=C(c1ncc(Cl)cn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565550780 FRGRMXKITHPONZ-HOTGVXAUSA-N 373.844 1.641 0 40 FDAB O=C(NC1CCCCC1)NS(=O)(=O)c1ncn(Cc2ccccc2)n1 1065043 XFSAXLJAQDXTAR-UHFFFAOYSA-N 363.443 1.647 0 40 FDAB CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 4034451 GQGQTSKWOVJCQY-UHFFFAOYSA-N 357.439 1.964 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1 4139866 RNVJNCOFVFXREF-UHFFFAOYSA-N 374.404 1.336 0 40 FDAB CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccccc2F)n(C)c1=O 10329003 XSUVKYHWPCMEOD-UHFFFAOYSA-N 370.388 1.452 0 40 FDAB Cc1csc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)c1 2055785289 REMYTRINEPYILG-RHSMWYFYSA-N 365.455 1.615 0 40 FDAB O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)N[C@@H](CO)Cc1ccccc1 40287188 BFWWIAOZDOSPKX-CYBMUJFWSA-N 367.327 1.759 0 40 FDAB CCN1CCc2nc(NC(=O)CNC(=O)COc3ccccc3)sc2C1 21296448 GSMKFYWYOQTVFF-UHFFFAOYSA-N 374.466 1.655 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 21700786 WOLVGOJZVAROAK-UHFFFAOYSA-N 352.456 1.908 0 40 FDAB Cn1cnnc1SCc1cc(=O)c2c(=O)n(-c3ccc(F)cc3)[nH]c2[nH]1 8020935 KYLOKDXADYTSER-UHFFFAOYSA-N 372.385 1.567 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CN2CCc3sccc3C2)cc1 10341217 OXCRQVSZXUMBLJ-UHFFFAOYSA-N 351.453 1.392 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 52939052 KVNANBFRLRIGEC-CQSZACIVSA-N 362.455 1.274 0 40 FDAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 107702755 DBQDKTJCTJIUHI-UHFFFAOYSA-N 350.396 1.750 0 40 FDAB Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(=O)[nH]1 22193353 GDMIRUHSRJKOEP-UHFFFAOYSA-N 354.410 1.850 0 40 FDAB COc1ccccc1CCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 17603104 KRGONXJBCDPSNE-UHFFFAOYSA-N 367.405 1.447 0 40 FDAB CCOC(=O)c1c[nH]c2nc(NCc3ccc(OCC)cc3)nn2c1=O 100641560 JWJAVCTUTPRKLF-UHFFFAOYSA-N 357.370 1.605 0 40 FDAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(C)=O)c(=O)[nH]c1=O 23053330 IRMFWTYMQIPNQI-UHFFFAOYSA-N 360.414 1.481 0 40 FDAB O=S1(=O)CC[C@H](N2CCN(Cc3cc(-c4cccs4)on3)CC2)C1 23247963 USSVIXIJWLNPGV-AWEZNQCLSA-N 367.496 1.708 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 12296693 KHUWEMKMFQSBPM-UHFFFAOYSA-N 363.329 1.435 0 40 FDAB biogenic C[C@@H](C(=O)N1CCCC[C@H]1c1nc[nH]n1)n1nnc(-c2ccccc2)n1 179359369 LNGMPATZEJTBQU-JSGCOSHPSA-N 352.402 1.773 0 40 FDAB C[C@H]1CN(CC(=O)NC(=O)Nc2ccc(Br)cc2)CCO1 24014645 YYHYIXGTHXMXHS-JTQLQIEISA-N 356.220 1.818 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1C 24573499 HDDJPTMUWORHFE-CQSZACIVSA-N 351.447 1.505 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@H]4C2=O)no1 106015571 FZVHAHMWMSEPNE-OYUZRVEBSA-N 355.350 1.179 0 40 FDAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2ccccc21 58162317 PSLUXBXYWNHOBC-ZDUSSCGKSA-N 359.451 1.401 0 40 FDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C(=O)OC)cc1 1432459 KNVIYVKFELJOBP-OLZOCXBDSA-N 362.411 1.695 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25341941 FXWZZHLDRSCKAX-UHFFFAOYSA-N 370.453 1.368 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 25380741 YIZQRJQFQBUFQL-ZDUSSCGKSA-N 357.410 1.278 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)c1 56090583 OGKJGRZBPBKEPL-UHFFFAOYSA-N 355.412 1.437 0 40 FDAB O=C(/C=C/c1nccs1)N1CCN(c2nnnn2-c2ccccc2)CC1 56873651 KVOMQSZUOAGOMS-VOTSOKGWSA-N 367.438 1.481 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 12529765 MRCXDXLKKHMIIX-HNNXBMFYSA-N 370.331 1.558 0 40 FDAB Cc1cc(C(=O)N2CCN(c3cncc(-n4cccn4)n3)CC2)c(C)o1 48253169 JFLRCPDCSWDUEJ-UHFFFAOYSA-N 352.398 1.835 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 3407534 DHSOLVBFSVPKOY-LLVKDONJSA-N 362.407 1.596 0 40 FDAB Cc1nnc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1-c1ccccc1 7989498 UNOLKLUHFWZEIU-ZDUSSCGKSA-N 359.455 1.392 0 40 FDAB NC(=O)CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1 12945190 BAEBJVJZSGAZRK-UHFFFAOYSA-N 363.443 1.518 0 40 FDAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2nccs2)CC1 13000395 PCFYORYFBNYLQL-UHFFFAOYSA-N 363.487 1.867 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCNc2ccccn2)ccc1Cl 13250104 LSYIRXRQKTWCHH-UHFFFAOYSA-N 355.803 1.824 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)NCCc1ccc(OC)c(OC)c1 4064266 OADITCJGSJAJKK-ZDUSSCGKSA-N 370.471 1.840 0 40 FDAB biogenic CCOC(=O)C1=C(COC(=O)/C=C/c2cccc(F)c2)NC(=O)N[C@H]1C 6083451 VQBCSOMCJZSWJW-AEZGRPFRSA-N 362.357 1.901 0 40 FDAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NCCc1ccccc1F 39996390 FPWMFBWKPHDNDM-UHFFFAOYSA-N 353.419 1.848 0 40 FDAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 6348025 KJXJQUFOEGPBQD-LLVKDONJSA-N 369.377 1.928 0 40 FDAB O=C(N[C@H]1OC(=O)C(Cl)=C1Cl)N[C@@H]1OC(=O)C(Cl)=C1Cl 18156131 KWVSTMSFIOVHGY-OLQVQODUSA-N 361.952 1.430 0 40 FDAB Cc1[nH]c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 14139370 SAFWABFBXARGGO-GFCCVEGCSA-N 356.444 1.456 0 40 FDAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)N(C)c1ccccc1 6545539 UODZPMKBZHLCBZ-AWEZNQCLSA-N 365.389 1.991 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)[C@H]2COc3ccccc3O2)c1 5510573 IEYSFRCOHSOGRL-QGZVFWFLSA-N 356.378 1.932 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2O1 6648498 RNCFIGVSTRGMCK-NSHDSACASA-N 354.288 1.181 0 40 FDAB O=C(c1ccc(O)nc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14701213 ORCCWHAKIBVZGJ-UHFFFAOYSA-N 365.386 1.073 0 40 FDAB C[C@@H]1CN(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 5993016 RDUDQXJOCDOYKH-GHMZBOCLSA-N 369.347 1.995 0 40 FDAB O=C([C@@H](Cc1ccccc1)NC[C@H]1CNc2ccnn2C1)N1CCCC1 69516418 FBEZBPWHNFVKKA-ZWKOTPCHSA-N 353.470 1.748 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3nccs3)cc2)C1=O 15843033 NSGJHKYKHQFZOE-VIFPVBQESA-N 351.409 1.708 0 40 FDAB COc1ccc(C)cc1-n1nnnc1SCc1nc(N)nc(N(C)C)n1 8988410 FMDRCKLGDXLGKP-UHFFFAOYSA-N 373.446 1.105 0 40 FDAB CC[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)C(=O)Nc1cc(C)on1 9154238 YPPHQSFLVIAREJ-CYBMUJFWSA-N 360.370 1.725 0 40 FDAB COc1ccc(C)cc1-c1csc(NC(=O)Cn2ccc(=O)[nH]c2=O)n1 9154406 GLVKQESAMIKZGI-UHFFFAOYSA-N 372.406 1.616 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc(F)c(F)c1 9117843 ZSAQLXPBVZIVMN-UHFFFAOYSA-N 367.377 1.613 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 9248674 BLASQLLRQHGFAP-UHFFFAOYSA-N 364.789 1.755 0 40 FDAB CCCC[C@@H]1NC(=O)N(CCOc2ccc(S(C)(=O)=O)cc2)C1=O 97009573 BLDABKCPIXZEBX-AWEZNQCLSA-N 354.428 1.580 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c1 9502798 WOMVIWJZXRDSOY-UHFFFAOYSA-N 373.394 1.224 0 40 FDAB COc1ccc(CNC(=O)c2cnn(CCN3CCOCC3)c2)cc1OC 72283985 XRJHXTRYOUPZRC-UHFFFAOYSA-N 374.441 1.163 0 40 FDAB CC[C@@H](C(=O)N1CCC(NS(=O)(=O)N(C)CC)CC1)c1ccccc1 72709097 KWCGVNIKVIBHIE-QGZVFWFLSA-N 367.515 1.957 0 40 FDAB Cc1nc([C@H]2COCCN2S(=O)(=O)c2cc(F)ccc2Cl)no1 95468206 MMXKWQAYPWJYNR-LLVKDONJSA-N 361.782 1.933 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 9950425 JAXQBZIQQQPBJH-MRXNPFEDSA-N 370.361 1.368 0 40 FDAB COc1cccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 408669948 XQQOFGIJYXHOIG-UHFFFAOYSA-N 360.366 1.867 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)COC)S(C)(=O)=O)cc1 408629591 DYJBVSHPOJOUMK-OLZOCXBDSA-N 358.460 1.391 0 40 FDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 500696144 FWBVTGHGJJWQTA-CQSZACIVSA-N 353.440 1.426 0 40 FDAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]12 306125704 CZAHWBRFBZDOGQ-APHBMKBZSA-N 368.430 1.084 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NCCCN(C)C)C(=O)O 54173041 YCPSLARSSZYZAJ-CYBMUJFWSA-N 357.838 1.672 0 40 FDAB CCn1cc(Br)c(=O)c(NC(=O)NCc2cnnn2CC)c1 529128208 FYLMISNFJMVPBB-UHFFFAOYSA-N 369.223 1.564 0 40 FDAB Cn1nc(C(=O)N2CCC(N3CCc4sccc4C3)CC2)ccc1=O 238890495 QNWYLTWIDGEUMK-UHFFFAOYSA-N 358.467 1.505 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)c1 225522066 AOBYJDSJUFCDNJ-KBPBESRZSA-N 368.437 1.753 0 40 FDAB CCn1nc(C)cc1CNC(=O)c1cccc(OCc2nnnn2C)c1 226752287 IXEWTWKEPHIWFY-UHFFFAOYSA-N 355.402 1.244 0 40 FDAB C[C@H]1Cc2c(NC(=O)/C=C/c3ccc4c(c3)OCO4)nn(C)c2NC1=O 97604828 NWAXOLZVGPMUSF-RWCYGVJQSA-N 354.366 1.931 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218701 QXHFKBRIYAIYCR-IEBWSBKVSA-N 354.410 1.999 0 40 FDAB CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)CCCC(=O)O 257217059 CXFWYPODHINBSB-UHFFFAOYSA-N 374.441 1.379 0 40 FDAB O=C(N[C@@H](c1nnn(C[C@]2(O)CCCOC2)n1)C1CC1)c1ccccc1 585091649 GOXCQUOBRVIAID-CRAIPNDOSA-N 357.414 1.096 0 40 FDAB Cc1nc(-c2nccn2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257208049 BKLBKCUBMOJERH-ZDUSSCGKSA-N 364.475 1.171 0 40 FDAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2c[nH]cn2)CCO1 257308093 TVJALTGTVZHSQJ-QGZVFWFLSA-N 364.833 1.589 0 40 FDAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCOC3)CC2)n1 257206835 BFBVABPERGWJFG-BZUAXINKSA-N 374.485 1.913 0 40 FDAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(=O)n(CC)n2)c1 606394315 NUEOGEBKZAAOLN-UHFFFAOYSA-N 364.427 1.667 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3F)[C@H](O)[C@H]2O)c1 585262314 UVYDKJACUBMQBY-BDXSIMOUSA-N 361.369 1.506 0 40 FDAB CO[C@@]1(CC(=O)NCc2cccc(F)c2F)COCCN(C(C)=O)C1 585280532 JWLZOTJPMILNBR-QGZVFWFLSA-N 356.369 1.235 0 40 FDAB O=C(CCN1CCOCC1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 585280227 DCESZZSBYUEANT-SJLPKXTDSA-N 350.434 1.300 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 47827436 IBWNIDBLSSQORT-OAHLLOKOSA-N 360.458 1.894 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C(C)=O)C(C)C 73394425 PHHVWKUTFALILU-LJQANCHMSA-N 365.449 1.494 0 40 FDAB CN1C[C@@H](C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1=O 585581696 DVECECQDEPMYMY-AWEZNQCLSA-N 368.441 1.186 0 40 FDAB O=c1c2cnc(NCc3ccccn3)nc2nc(O)n1Cc1ccccc1 888106925 FIEZXQOIRPPDGO-UHFFFAOYSA-N 360.377 1.948 0 40 FDAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CCCC1 1615188774 SVHRUZJBJNRJSG-GOSISDBHSA-N 357.397 1.712 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(F)cc2)n(C)c1=O 5943370 GWJAKJHNWIWFRQ-UHFFFAOYSA-N 350.737 1.109 0 40 FDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cn3ccnc3)nn2c1O 12221274 CQGOOCSXAZPOBN-OAHLLOKOSA-N 354.414 1.866 0 40 FDAB O=C(CN1CCCC1=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669200 XJTAWPSTUNSPMT-UHFFFAOYSA-N 355.398 1.460 0 40 FDAB Cc1ccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1C 13674184 KTRQHWKNKRHBED-UHFFFAOYSA-N 367.515 1.672 0 40 FDAB N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 14651456 JMCOUWKXLXDERB-SJLPKXTDSA-N 351.406 1.850 0 40 FDAB endogenous,in-man O=c1n(CN2CCN(C3CCCCC3)CC2)nc2c3ccccc3ncn12 19376183 KUSOWXONVKGCEP-UHFFFAOYSA-N 366.469 1.952 0 40 FDAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 19456236 SOWSAFRVLCCCJW-HNNXBMFYSA-N 371.485 1.643 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCC(C)(C)c2ccccc2F)ccc1=O 19749206 PZJKPHRQUACAGZ-UHFFFAOYSA-N 373.428 1.783 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21 19936860 OVXBAYRVHZFANI-UHFFFAOYSA-N 350.400 1.180 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 5369589 JFUOZIQMCIFVJZ-QTNSFHEISA-N 368.433 1.498 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)nn1 1888901204 ROABSMKUNPGLJZ-CQSZACIVSA-N 364.409 1.813 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1 11963893 YGMYRBCVFHPOML-UHFFFAOYSA-N 364.427 1.005 0 40 FDAB Cc1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1 2055772859 NYSLCBMEFXDDDD-UHFFFAOYSA-N 367.453 1.744 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cc3ccccc3o2)CC1 575616559 RMBMFAWUHRCCKH-UHFFFAOYSA-N 365.455 1.681 0 40 FDAB CC1CCC(NC(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)CC1 40072671 GLDRJWIWYIWLRR-UHFFFAOYSA-N 351.472 1.930 0 40 FDAB COc1cccc(CN(C)S(=O)(=O)NCc2cccnc2N(C)C)c1 40093745 YLCOATBQGGJOKK-UHFFFAOYSA-N 364.471 1.623 0 40 FDAB Cc1c(Cl)cccc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 40096520 MYSCYXGZQAYFQO-UHFFFAOYSA-N 360.867 1.604 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)CCn2nnc3ccccc3c2=O)CC1 31641242 AFFPOLGLFQDPFR-AWEZNQCLSA-N 372.425 1.372 0 40 FDAB O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998297 KEEDLXWWMNODTB-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2c(c1)CCCC2 11671870 CWYZBHADVWXMSG-ZDUSSCGKSA-N 365.437 1.886 0 40 FDAB O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCOCC1)c1ccco1 4976765 PPKYOXBAKYIJQR-UVTDQMKNSA-N 370.361 1.638 0 40 FDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@@H](O)c1ccccc1 6626681 AFDOVFBOEGXHJE-QZTJIDSGSA-N 359.422 1.961 0 40 FDAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 32721637 RFNREFATDBYPJW-UHFFFAOYSA-N 369.324 1.121 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C[C@@H](O)c2ccccc2F)CC1 96743040 PAJGHWMSQLQETK-QFBILLFUSA-N 363.477 1.878 0 40 FDAB CC(=O)N1CCC(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 32901119 DESQZYXNQWMSHU-UHFFFAOYSA-N 357.454 1.797 0 40 FDAB CC[C@@H](OC(=O)CCS(=O)(=O)CC(C)C)C(=O)Nc1cc(C)on1 32936291 WNWWDPMGYMFYGA-GFCCVEGCSA-N 360.432 1.704 0 40 FDAB COc1ccc(C(=O)N2CCOC23CCN(c2ncccn2)CC3)cc1 1396807 UWOPEAJQNWCMNZ-UHFFFAOYSA-N 354.410 1.954 0 40 FDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 25699351 WIVJXQBKUAQPBD-KDOFPFPSSA-N 362.357 1.763 0 40 FDAB Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(=O)n(C)c1=O 12540767 JJKDUMRGKSMBPH-KRWDZBQOSA-N 362.389 1.855 0 40 FDAB CC1CCN(S(=O)(=O)NCc2ccccc2NS(C)(=O)=O)CC1 56061390 APPQFAJPNIAWMZ-UHFFFAOYSA-N 361.489 1.124 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(Cc3cc(C)no3)CC2)c1 25303636 OJSXCSLKQNULRH-SFHVURJKSA-N 373.453 1.743 0 40 FDAB CCCNC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473323 GTAFAASJIFJJTO-UHFFFAOYSA-N 371.462 1.994 0 40 FDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)N1CCc2ccccc2C1 26838673 AWSATRGJLNFIFB-UHFFFAOYSA-N 369.450 1.660 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)cc1 24703787 IYIIWQMMEPPRMM-UHFFFAOYSA-N 357.395 1.891 0 40 FDAB Cc1ccoc1C(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1 58311256 SVQINFCQWULWFJ-UHFFFAOYSA-N 369.421 1.739 0 40 FDAB CC(=O)N[C@@H](C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(C)C 11010001 BDQDHKJRKUTVDC-QGZVFWFLSA-N 361.490 1.718 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 3431611 NUGFGQZXRIHHIB-UHFFFAOYSA-N 372.410 1.165 0 40 FDAB CCc1ccccc1Nc1nc(N)nc(COC(=O)C2=COCCO2)n1 3545160 IJDPCBBGFSACFZ-UHFFFAOYSA-N 357.370 1.691 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2Cl)cc1 3565725 PNKMYKPLXBBOIK-UHFFFAOYSA-N 368.842 1.725 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3592671 JCRVOPGITPVLEC-UHFFFAOYSA-N 373.409 1.912 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CC1 12979643 KXTQCAAXXBVFET-GOEBONIOSA-N 361.442 1.456 0 40 FDAB CN1C(=O)Cc2cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc21 12987480 OAQADZAZKDUGBB-CYBMUJFWSA-N 373.438 1.346 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12914844 SGEQDKULCOPOEG-INIZCTEOSA-N 374.418 1.511 0 40 FDAB Cc1cc(Cl)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 13026784 XGWADYBUDGVYAY-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB CCN(C(=O)CSc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 4166117 AYVGLTVJWDPJCO-GFCCVEGCSA-N 371.480 1.586 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2F)c1 22410634 XJYFQBXOEHQXDS-UHFFFAOYSA-N 364.807 1.927 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)C1=O 14125683 QTYWQRPMDSBFJJ-HNNXBMFYSA-N 359.426 1.414 0 40 FDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 4513894 BDQPRWIQHOEMQT-KRWDZBQOSA-N 364.377 1.217 0 40 FDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC1 5570478 AIWHKMMCVQTNHC-JTQLQIEISA-N 374.846 1.219 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 5559328 WCFFPIFEFFPDQP-CQSZACIVSA-N 367.352 1.775 0 40 FDAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nnc(C(F)(F)F)s1 4911031 IFOCPZDLUWIKFG-GSVOUGTGSA-N 366.350 1.342 0 40 FDAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 8991391 YAYBXDAWZQURKT-AWEZNQCLSA-N 369.421 1.095 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCOCC1 96223197 BDEAUDPVNKCUNJ-ZDUSSCGKSA-N 351.790 1.009 0 40 FDAB Cc1ccsc1CN1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 306137466 QXDNBBRDULSXFE-LSDHHAIUSA-N 372.494 1.804 0 40 FDAB C[C@@H]1CCCC[C@H]1OCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 84692123 RVFOMDQDZRPKLS-CZUORRHYSA-N 360.410 1.828 0 40 FDAB CCCOc1c(Br)cc(C(=O)NC2(C(N)=O)CC2)cc1OC 84756740 ABMZDAGKJMOWEB-UHFFFAOYSA-N 371.231 1.994 0 40 FDAB CCOC(=O)[C@@H]1CCCC[C@@H]1N(CC(=O)NC(C)C)CC(=O)NC(C)C 95457038 XNAAZMDVISVDLL-CVEARBPZSA-N 369.506 1.460 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(O)cc(O)c3)C2=O)cc1 95448261 IMTKEODKDIYVMD-LJQANCHMSA-N 369.377 1.812 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NCC(=O)Nc1ccccc1F 409003490 SHYXUKDUVHAOEE-UHFFFAOYSA-N 359.357 1.807 0 40 FDAB COC(=O)c1sccc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 36569735 NKCBMUFZMLLGRP-GFCCVEGCSA-N 362.407 1.193 0 40 FDAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 531059007 LCHAZAMSUBCSPK-NYUBLWNDSA-N 358.482 1.943 0 40 FDAB Cn1nccc1/C=c1\sc2n(c1=O)[C@@H]1C[C@](C)(N=2)Oc2ccccc21 71785080 ZSFIWBDBJOVWJB-BQBVYKKNSA-N 352.419 1.193 0 40 FDAB CCN(CC)S(=O)(=O)CC(=O)N1CCN(Cc2ccccc2C)CC1 74169688 ZFKJOXWAWIARSA-UHFFFAOYSA-N 367.515 1.311 0 40 FDAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C1(CO)CO 218158843 ZNKDZULSNXGWAO-IAGOWNOFSA-N 362.403 1.326 0 40 FDAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NC1CC1 72335759 WCMXJDWMWOOJPG-UHFFFAOYSA-N 364.409 1.543 0 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257282512 OTZUXJVODPSVHZ-LJQANCHMSA-N 364.449 1.774 0 40 FDAB Cc1cc(NC(=O)NCc2cc(C(N)=O)no2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 539309350 PSIALKCPQKCMTA-MJVIPROJSA-N 358.402 1.961 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257279517 OGZJJHUAOSYJAJ-RXIQLXCPSA-N 371.437 1.654 0 40 FDAB CNc1cc(CC[C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)ccn1 257333093 YACXNTQAKAQYEP-HNNXBMFYSA-N 358.446 1.310 0 40 FDAB Cc1ncc(C(=O)N2C[C@H]3CN([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)s1 1091532262 CQHHPCLZHZURBX-GLJUWKHASA-N 362.499 1.466 0 40 FDAB O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1nnc2n1CCCCC2 679541834 QCQVDEFSOGERHT-MCIONIFRSA-N 361.446 1.932 0 40 FDAB C[C@H](C(=O)Nc1n[nH]c2cc(F)ccc12)N1C(=O)NC2(CCCC2)C1=O 682821664 DUTQUCVZZKUWKC-SECBINFHSA-N 359.361 1.894 0 40 FDAB NC(=O)CN1C[C@@H]2[C@H](CCN2c2nc(C(F)(F)F)nc3ccccc23)C1 1775988520 QASWQEDWQQRUGV-ZWNOBZJWSA-N 365.359 1.644 0 40 FDAB COCCn1nnc2c1CCN(C(=O)N[C@@H]1CCCc3c(O)cccc31)C2 1775959274 NVMBOZSNXVNDPK-OAHLLOKOSA-N 371.441 1.775 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)N2CCN(C(=O)N(C)C)CC2)c1 611737555 DIVLVSSOPCROMA-ZDUSSCGKSA-N 364.446 1.774 0 40 FDAB CO[C@H](CS(=O)(=O)N1CCO[C@H]2CCOC[C@@H]21)c1ccc(F)cc1 625227447 OGULBMNZDSVFNN-HRCADAONSA-N 359.419 1.333 0 40 FDAB Cc1nccc(O[C@@H]2CCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 585147181 VVZUEFDUAPUNCP-MRXNPFEDSA-N 370.409 1.691 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)cn1 585095581 YZXXXGOAALFYGE-KRWDZBQOSA-N 373.501 1.831 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 585109266 FOPQSSVWQRJQJE-BRWVUGGUSA-N 358.369 1.965 0 40 FDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cccc(C)c1)CC2 585096651 YCOBZOBIZVJTQA-CQSZACIVSA-N 356.426 1.785 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 585112852 WCZOCMAIMCPTPH-KRWDZBQOSA-N 370.457 1.649 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(NC(C)=O)cc1 58209969 LYIGXRUPTVYZCP-UHFFFAOYSA-N 351.403 1.095 0 40 FDAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 58141789 FTYLCANETILOLE-ZDUSSCGKSA-N 369.464 1.666 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C2CCCCC2)C1 680416007 BQCPMYIRRJZAOF-CVEARBPZSA-N 358.504 1.608 0 40 FDAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)CN4CCCC4=O)C[C@@H]32)Nc2ccccc21 12086088 OUKBUIVDWDSZPS-AFBRZQFHSA-N 368.437 1.029 0 40 FDAB CC(=O)NCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19021243 HZSUJMTVGCGLIY-UHFFFAOYSA-N 359.426 1.085 0 40 FDAB C=Cn1cc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)c(C)n1 19584193 CNMXYVSUXZVTPR-LBPRGKRZSA-N 367.500 1.927 0 40 FDAB CNc1nc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)nc2c1CNCC2 19711505 LJUKOVOLEKDLDG-AWEZNQCLSA-N 366.469 1.508 0 40 FDAB CN1CCC[C@@H](NC(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)C1 19749809 TXSQGDJOTNPTPF-OAHLLOKOSA-N 359.405 1.485 0 40 FDAB COC(=O)CN1CCCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21 19592494 QMQYLQFFYDAXPK-XJKSGUPXSA-N 370.446 1.474 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)C5CC(F)(F)C5)C[C@H]4C3)ncnc21 1888866539 HNDLTTMXLJWIDY-VXGBXAGGSA-N 362.384 1.303 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@H](N(C)c2ncc(C)cn2)C1 1889134419 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1.265 0 40 FDAB COc1cc(NCC(=O)N(C)CC(=O)NC2CC2)c(OC)cc1Cl 30497727 MDSDVKZXZVPAEK-UHFFFAOYSA-N 355.822 1.506 0 40 FDAB CCN(CC)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 30805665 TZBMVVJVYIRRRH-GFCCVEGCSA-N 350.415 1.934 0 40 FDAB CCN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O 692773 VWTAANSXAJIZJX-UHFFFAOYSA-N 352.346 1.961 0 40 FDAB CN(C)C(=O)CNC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 83158527 PGMVVIUQRULJRJ-HXUWFJFHSA-N 358.486 1.772 0 40 FDAB O=C1O[C@@H](c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c2ccccc21 101372332 CKOSPKLZPOVRBF-CQSZACIVSA-N 354.293 1.630 0 40 FDAB CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101996868 VNCOYFCXBWIVTA-GAIPPQHRSA-N 360.439 1.581 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 102049591 RWALKSNFFTXVRX-GJZGRUSLSA-N 359.353 1.893 0 40 FDAB CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nnc(C(C)C)s1 4741809 CBEAUIHBQHTIQQ-SSDOTTSWSA-N 354.461 1.836 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1cccnc1 6970961 GVRQINXPBZONMQ-UHFFFAOYSA-N 374.249 1.983 0 40 FDAB OCCN1CCN(c2ncnc3c2cnn3-c2ccccc2Cl)CC1 22699183 COAPYCLCDLIRHV-UHFFFAOYSA-N 358.833 1.583 0 40 FDAB COc1cccc(/C=C2\NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1 12338773 CXUOJUWLZWHGCI-UVTDQMKNSA-N 367.361 1.893 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2c(F)cccc2F)C1=O)C1CC1 47356001 LSCKEBGLSSZVIP-HUTHGQBESA-N 351.353 1.647 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccnc2-n2cccn2)CC1 23170970 CBGZEVQCPBEFEF-UHFFFAOYSA-N 363.443 1.268 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 24243195 RPOJWUZLQLMWQJ-WCXIOVBPSA-N 364.534 1.164 0 40 FDAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 24478904 YYTVJSYLLCTACQ-ZDUSSCGKSA-N 364.427 1.130 0 40 FDAB CN(CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 12557332 FWBROJHKYWOTAP-UHFFFAOYSA-N 361.467 1.803 0 40 FDAB NC(=O)Cc1csc(NC(=O)CCc2nc(-c3cccs3)no2)n1 21496257 HUFQBUYWENMKDM-UHFFFAOYSA-N 363.424 1.854 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(C(=O)O)cc1 1462450 BMVMVAXPOKNZPJ-UHFFFAOYSA-N 374.374 1.558 0 40 FDAB COc1cc(C(=O)NCCC(=O)Nc2ccncc2)cc2c1OCCO2 58179870 ILENCKSMVHNPNK-UHFFFAOYSA-N 357.366 1.620 0 40 FDAB Cn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 58246073 NFCSJDADBSUSPK-UHFFFAOYSA-N 368.484 1.837 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCOc2cccc(Cl)c2)CC1 36392249 LBZSPGKPQVOLTC-UHFFFAOYSA-N 360.863 1.507 0 40 FDAB COc1cc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2cc1OC 2343767 KOPRRXINVFQXNV-UHFFFAOYSA-N 355.398 1.830 0 40 FDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 11010739 LEUIFBBRGBDQAP-BXUZGUMPSA-N 351.424 1.480 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 48341737 MFHWPCGMFCJERI-GJZGRUSLSA-N 359.426 1.777 0 40 FDAB Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 12859823 AOGBVOYOMQDNMN-UHFFFAOYSA-N 369.403 1.126 0 40 FDAB Cc1ccc([C@H](CC(=O)O)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3427035 UCUZXQDICNRXPQ-INIZCTEOSA-N 366.373 1.923 0 40 FDAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)NCCc1ccccc1 3552036 UYTKNIRYTZXQTK-UHFFFAOYSA-N 351.366 1.178 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 8274015 SGZMMURQCVBLLQ-UHFFFAOYSA-N 366.462 1.004 0 40 FDAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 13019301 VONHVGDWYZLVCT-LBPRGKRZSA-N 354.428 1.897 0 40 FDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 13360010 GJEOJDCFKNVEJM-UHFFFAOYSA-N 368.798 1.955 0 40 FDAB CC(C)Cc1nc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cs1 63647888 LYLBKLVIMNQHIC-LBPRGKRZSA-N 359.517 1.886 0 40 FDAB COC(=O)[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1OC)C(C)C 63725312 AGNFSNORSWZBSM-HNNXBMFYSA-N 353.415 1.959 0 40 FDAB CCCNC(=O)COC(=O)c1ccccc1SCC(=O)NCCC 6424199 LZJPAUAVXRIDLL-UHFFFAOYSA-N 352.456 1.988 0 40 FDAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 14136200 PVVHOBUTSHSFAJ-UHFFFAOYSA-N 362.411 1.058 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)c3ccc4c(c3)OCCO4)cc2N1 7157420 IGVBFXBANINIFD-UHFFFAOYSA-N 369.329 1.828 0 40 FDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCCOc1ccccc1 9154422 REGZZXWCARGGSG-UHFFFAOYSA-N 357.341 1.838 0 40 FDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408624521 QPSOVUHCRDHLQR-CQSZACIVSA-N 370.471 1.309 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 7640667 MGXXKFPMQLNWHH-CYBMUJFWSA-N 350.444 1.542 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1CN(C2CCOCC2)Cc2cncn21 306134654 NUOJPRUYZNAGME-GOSISDBHSA-N 355.442 1.472 0 40 FDAB O=C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 9575496 PKENJESXVQWMCR-CYBMUJFWSA-N 368.430 1.418 0 40 FDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(CC)cc3)C[C@H]1C2 306136831 QEPVVGRDQRLVTL-IAGOWNOFSA-N 353.470 1.895 0 40 FDAB O=C([C@H]1CCCCN1c1ncncc1Br)N1CCOCC1 97016704 UXGLUYIWLFXCHX-GFCCVEGCSA-N 355.236 1.457 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@H]3COCc2ccccn2)n2ncnc2n1 306138208 RSHLDBKPOJEZRS-HNNXBMFYSA-N 366.425 1.640 0 40 FDAB CCOCCNC(=O)c1ccc2c(c1)nc(C)n2[C@H]1CCS(=O)(=O)C1 72301630 VJIQUWZPGCFLKC-AWEZNQCLSA-N 365.455 1.471 0 40 FDAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(=O)N1CCC[C@@H](C(N)=O)C1 95349057 OGLHNWDXWWZODV-CTHBEMJXSA-N 362.401 1.585 0 40 FDAB Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C)c3ncccc23)n1 95469431 QAEKVRXOVVBSKW-CQSZACIVSA-N 374.422 1.997 0 40 FDAB CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 95461169 JYZNVXDOHBWHGW-UHFFFAOYSA-N 361.471 1.530 0 40 FDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)CC(C)C)C3)n1 306138021 RMZNLGYUZVYCPK-CQSZACIVSA-N 367.471 1.226 0 40 FDAB O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@@H]1CCS(=O)(=O)C1 95957288 YRQPAVNWGMQUSY-CQSZACIVSA-N 370.434 1.693 0 40 FDAB CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)cc(F)c1 95953208 JQWRBHMSLFNTGB-UHFFFAOYSA-N 361.458 1.611 0 40 FDAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccnc1 9939786 BINPKYUGNBRYPC-OAHLLOKOSA-N 374.466 1.859 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccc([N+](=O)[O-])c1 60805637 PZXYNIVKMBSFFD-UHFFFAOYSA-N 368.305 1.627 0 40 FDAB NC1=C2C=CC=C[C@H]2NC(CSCC2=N[C@@H]3C=CC=CC3=C(N)N2)=N1 38748121 GWZGKYOJBSRFGU-ZIAGYGMSSA-N 352.467 1.053 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccncc1 524731972 RGPSFWACTVUYDL-VPWXQRGCSA-N 351.406 1.850 0 40 FDAB biogenic O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccc1F 71279153 MBGFDEYHUZDRPL-UHFFFAOYSA-N 371.416 1.369 0 40 FDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC1CCCC1 72326029 DKNVPZRDVDITLO-FQEVSTJZSA-N 371.437 1.576 0 40 FDAB Cc1nnc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 185379453 AXGSBSOOLCDFCF-UHFFFAOYSA-N 366.468 1.383 0 40 FDAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCn1ccnc1 1565524326 GBQDUMQMIOUNEV-UHFFFAOYSA-N 368.437 1.595 0 40 FDAB CCN1CCN(c2ccc(CNC(=O)Nc3ccc(OC)nc3)cn2)CC1 40120752 WELKVKDKTUXONJ-UHFFFAOYSA-N 370.457 1.949 0 40 FDAB C[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)C1(S(C)(=O)=O)CC1 562865478 VMEOBOVHENEAHR-CYBMUJFWSA-N 374.466 1.863 0 40 FDAB O=C(c1ccc(O[C@@H]2CCSC2)nc1)N1CCC2(CC1)OCCO2 225712473 AHBYLIWWLAJBQU-CQSZACIVSA-N 350.440 1.945 0 40 FDAB CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 44916922 BHUPKMVWRZZLRB-AWEZNQCLSA-N 374.397 1.077 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(c3cnn(C)c3)CC2)c1 573454968 KMZWSTFKSYXHNW-UHFFFAOYSA-N 351.414 1.272 0 40 FDAB Cc1nnc(CN(C)CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)n1C 329860731 PTSDJMJVIQGUKG-UHFFFAOYSA-N 370.432 1.761 0 40 FDAB CN(C)[C@@H](CNC(=O)c1cccn(C)c1=O)c1cn(C)c2ccccc12 75149156 ZAEIFCWNNYCRNG-SFHVURJKSA-N 352.438 1.910 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccco2)c2cccs2)cn1 225590932 WQLRWPOXYIYOBV-AWEZNQCLSA-N 353.425 1.289 0 40 FDAB COc1ccc(CN2CC3(CN(CC(C)C)C[C@@H]4C[C@@H](O)CN43)C2)cc1 514288466 AYGXOEVPWVETGM-RBUKOAKNSA-N 359.514 1.656 0 40 FDAB biogenic,in-vitro CNC(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053295 UNKNTFFNVJDJGC-CYBMUJFWSA-N 352.456 1.483 0 40 FDAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3nccn3C)C2)C1 96075700 AZQPPPUMQUVTBQ-CRAIPNDOSA-N 350.463 1.010 0 40 FDAB CC(=O)N[C@@]1(c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)CCNC1 581825097 ZMLOUMDIQWPVNF-KRWDZBQOSA-N 358.423 1.466 0 40 FDAB COc1c(C(=O)NC[C@H]2CCCO2)nnn1Cc1ccccc1Cl 96183585 JUVLVZIRGLITJA-GFCCVEGCSA-N 350.806 1.897 0 40 FDAB O=C(C1CCOCC1)N1Cc2ccnn2[C@H](COc2ncccc2F)C1 247840130 FBRCPHXNSOEBHK-HNNXBMFYSA-N 360.389 1.806 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(COC)C(N)=S 242701934 WTFDHZCCNLRELE-GUTXKFCHSA-N 357.453 1.235 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 257198842 JXFSVVZTMWCWLR-UONOGXRCSA-N 368.389 1.602 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)CC1 257288865 PWAHEOYEGRULMI-QGZVFWFLSA-N 359.474 1.460 0 40 FDAB COc1ncccc1CN1CCn2cc(CC(=O)NC3CC3)nc2[C@H]1C 253590937 HUIQBPQRDHOAOA-CYBMUJFWSA-N 355.442 1.685 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257278237 OBKJNTLNTYAFCM-YVWKXTFCSA-N 356.470 1.839 0 40 FDAB Cn1cncc1-c1nccnc1CC1CCN(C(=O)c2cnccn2)CC1 257226558 FLDORJZMKCKADO-UHFFFAOYSA-N 363.425 1.762 0 40 FDAB CCS(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c1ccc2c(c1)OCO2 260895226 JFMOJZKZTDTTCU-GFCCVEGCSA-N 356.444 1.732 0 40 FDAB CC(=O)NC[C@@H]1CN(c2ccc(OC(F)F)cn2)C[C@H]1c1cncn1C 1615553081 PPHLQQOJXGXMNF-TZMCWYRMSA-N 365.384 1.773 0 40 FDAB NC(=O)c1csc(CNC(=O)C2CCN(Cc3ccccc3)CC2)n1 618944239 RWKXWSDXZGLCHX-UHFFFAOYSA-N 358.467 1.770 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(N3CCCOC3=O)CC2)c1 1124058066 WINDCFFIHWKAEX-UHFFFAOYSA-N 373.409 1.964 0 40 FDAB Cc1ccccc1-n1nccc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643754311 XFHMDZXTGQAWCP-HXUWFJFHSA-N 356.470 1.986 0 40 FDAB CN1C[C@H](C(=O)N2CCN(c3cncc(F)c3)CC2)c2ccccc2C1=O 655033503 AIJVJIJYNFAQBX-SFHVURJKSA-N 368.412 1.739 0 40 FDAB CN(C)CCC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 664523091 YTYSTZVTNSXICD-SJORKVTESA-N 361.490 1.413 0 40 FDAB Cc1ccc(CCN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)cc1 1775961801 AXFHINZTLMBLCX-UHFFFAOYSA-N 354.454 1.898 0 40 FDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096399 MAANFGDRPULWBK-ZDUSSCGKSA-N 357.414 1.148 0 40 FDAB Cc1nc(-c2ncccn2)nc(O)c1CC(=O)Nc1cc(C2CC2)[nH]n1 591445137 JHUDUGIDSJHGMB-UHFFFAOYSA-N 351.370 1.729 0 40 FDAB Cc1ocnc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158657 RMEIASTWGOAYAT-GOSISDBHSA-N 359.357 1.770 0 40 FDAB O=C1OC2(CN(Cc3ccccn3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162462 QINKVQVGWRNTRL-LJQANCHMSA-N 364.449 1.973 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)c1 1775973694 QOLCZBBSYRXLFD-UHFFFAOYSA-N 371.393 1.596 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)CCCc4ccccc4)CC3)ncnc21 13532742 CBTZQOCQNZAOPY-UHFFFAOYSA-N 365.441 1.430 0 40 FDAB CCCn1nc(C(=O)N2CCN(C(=O)C(C)C)CC2)c2ccccc2c1=O 17701670 WHATUNKUTGWWEH-UHFFFAOYSA-N 370.453 1.747 0 40 FDAB c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CCOCC2)cc1 19371459 BEDDPIGCIAGYDH-SFHVURJKSA-N 350.426 1.732 0 40 FDAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)N5CCCC5)nc4c23)C1 19497221 LAHAYKLGMAJKFT-LLVKDONJSA-N 371.466 1.853 0 40 FDAB CCN(c1ccc(OCC(=O)NCc2ccccn2)cc1)S(C)(=O)=O 19937760 ARCBWXWMSSKMCP-UHFFFAOYSA-N 363.439 1.563 0 40 FDAB CN(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 5255839 OBUMXUUIJFFRSP-UHFFFAOYSA-N 356.430 1.313 0 40 FDAB CC[C@H](OC(=O)c1ccc(CNC(N)=O)cc1)C(=O)Nc1cc(C)on1 9154237 YPPHQSFLVIAREJ-ZDUSSCGKSA-N 360.370 1.725 0 40 FDAB Cc1nnc(CN2CC[C@@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)o1 1888876310 RKEDELRVNPWALM-GFCCVEGCSA-N 361.427 1.033 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)cc1 1888913875 DXLMDNFHUJPPGV-GJZGRUSLSA-N 364.409 1.341 0 40 FDAB CCn1cc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840213 JFUYWIMCCFZXHK-IBGZPJMESA-N 372.400 1.690 0 40 FDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]2OCC[C@H]21 1565548863 LCNZHAQQMWCPAP-GVDBMIGSSA-N 361.417 1.153 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 1565544695 OHXVOARODOIKIG-UHFFFAOYSA-N 358.486 1.763 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(F)cc2Cl)n(C)c1=O 677522 QXGVKBCEQRQBFW-UHFFFAOYSA-N 357.172 1.928 0 40 FDAB biogenic CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518950 GXVALJNICWMVOI-AWEZNQCLSA-N 350.396 1.047 0 40 FDAB O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccc2c(c1)OCO2 9615889 HOGYYCSYKOSUOO-UHFFFAOYSA-N 356.317 1.852 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccnc3)cs2)CC1 13704725 XZWVSBOPWAIQPO-UHFFFAOYSA-N 366.468 1.815 0 40 FDAB COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1 15080088 QRRAQSOAYJHPKG-CQSZACIVSA-N 357.370 1.700 0 40 FDAB COc1cccc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)c1 2055747261 QQIOVKLOMAHCSS-UHFFFAOYSA-N 371.485 1.964 0 40 FDAB Cc1cc2c(N3CC(n4nc(-c5ccncc5)ccc4=O)C3)nccn2n1 1775974709 MGZRYPKUYFUAJI-UHFFFAOYSA-N 359.393 1.718 0 40 FDAB CC1CCN(CC(=O)NCCn2nc([C@@H]3CCNC3)c3cccnc32)CC1 19496884 GCPVAAALYFNOMO-MRXNPFEDSA-N 370.501 1.356 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1 31711030 RWTUBEHCKCXECP-UHFFFAOYSA-N 360.435 1.470 0 40 FDAB Cc1ccc(NC(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C)CC1 1669572 DPVBUZHZQIDGFI-UHFFFAOYSA-N 374.489 1.554 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F 20732406 QQPJQDAQOBBDAK-OAHLLOKOSA-N 350.325 1.518 0 40 FDAB Cc1cccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 2961091 FFWKKBHHOXYLQA-UHFFFAOYSA-N 359.407 1.892 0 40 FDAB CCOC(=O)C1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 4928352 PFXMAAQLXWGALK-UHFFFAOYSA-N 362.451 1.927 0 40 FDAB C/C=C/c1ccc(OCC(=O)O[C@H](C)C(=O)N2CCOCC2)c(OC)c1 21258337 LGBHMGPQXHUMTK-ISZGNANSSA-N 363.410 1.898 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(C)=O)c2)cc1 6297508 BQBPTMVLOKLVFW-UHFFFAOYSA-N 362.407 1.815 0 40 FDAB NC(=O)C1CCN(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)CC1 7646473 QOLVVEXLYLJMOC-UHFFFAOYSA-N 360.744 1.499 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)C(C)(C)C 7771569 ABIZLFSTLDEWQP-JTQLQIEISA-N 352.412 1.272 0 40 FDAB Cc1ccc(OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 21353945 QSLIZJIDWNHXNL-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c1 102398641 HZAXFCZPGVODLB-GASCZTMLSA-N 372.421 1.960 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)N2CCC(CCCO)CC2)no1 96008218 FELYTVPSWVCAEK-UHFFFAOYSA-N 355.460 1.666 0 40 FDAB CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1 89893432 BPXYJZALYYXJML-GUYCJALGSA-N 365.455 1.467 0 40 FDAB O=C(O)[C@@H]1[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)[C@H]2C=C[C@H]1C2 104850974 FBJSMOXXCHLLIN-FWVZSMNWSA-N 368.389 1.803 0 40 FDAB COc1ccc(NC(=O)CSCC(=O)/N=c2/sccn2C)cc1 104380985 JZBWQHUVJUEFBZ-BMRADRMJSA-N 351.453 1.894 0 40 FDAB Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 42625505 VNQSKTBJPMFZIR-UHFFFAOYSA-N 374.418 1.578 0 40 FDAB Cc1noc(C2CCN(C(=O)CCN3C(=O)COc4ccccc43)CC2)n1 54665288 RGCAENUSSMXIBC-UHFFFAOYSA-N 370.409 1.900 0 40 FDAB NC(=O)CSc1nnc(SCc2nnnn2-c2ccccc2)s1 24108237 UIBOFIBWCIBGRU-UHFFFAOYSA-N 365.469 1.384 0 40 FDAB COCCNC(=O)c1nc(COc2ccc3c(C)cc(=O)oc3c2)no1 20735171 RJDCXOSOBZJHFH-UHFFFAOYSA-N 359.338 1.440 0 40 FDAB biogenic CC(C)c1ccc([C@@H](C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 58327408 AJWWBXNJSMTWFB-CYBMUJFWSA-N 364.471 1.921 0 40 FDAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCCO2)Cc1nnnn1C1CC1 36396067 MJCXKTWREMDSNQ-UHFFFAOYSA-N 370.818 1.548 0 40 FDAB C[C@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)S(C)(=O)=O 48173814 WDGHEEFPGHPQLU-CYBMUJFWSA-N 374.890 1.296 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)NC(=O)NC1 12910332 UJFRAXXMFXLQMP-UHFFFAOYSA-N 363.370 1.121 0 40 FDAB CCOc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1OC 13097137 VLLYKZYGERUKMS-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(O)cc1 4008621 DBLPGZGDTKTZTB-NNFUDEMPSA-N 364.394 1.558 0 40 FDAB COC(=O)C1CCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 6110957 CVORZDFCIBOAJT-UHFFFAOYSA-N 363.439 1.486 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 6100801 ALSWKNXLLMOKAM-UHFFFAOYSA-N 374.349 1.286 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)cn23)n(C)c1=O 4303886 DCXXIMOJJNRLDN-UHFFFAOYSA-N 365.393 1.344 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)N(C)CC(=O)Nc1cccc2ccccc12 14085849 CNTIRVJKKWZFPI-HNNXBMFYSA-N 355.438 1.957 0 40 FDAB CCN1CCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 14000170 NEJLCSAHBCEKFC-UHFFFAOYSA-N 371.478 1.536 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NCCc1ccccc1 65521424 NOKUVGSXOJJENZ-AUUYWEPGSA-N 354.406 1.690 0 40 FDAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 14244827 MBFJGDVOUDEMPZ-INIZCTEOSA-N 362.407 1.398 0 40 FDAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCO)cc1 408710248 UMCIREWOZQMCOX-UHFFFAOYSA-N 369.421 1.362 0 40 FDAB COCCCNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6670192 DNSMAMCOHSWIEJ-UHFFFAOYSA-N 370.427 1.389 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 5624272 KIXNDRQHJUGYKI-UHFFFAOYSA-N 352.441 1.971 0 40 FDAB C[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2N)C[C@@H](C)O1 6945957 PMTVIUXQSNSNLF-NXEZZACHSA-N 353.473 1.448 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccccc1 306135441 OQXCBMCSZMNLNP-MRXNPFEDSA-N 366.483 1.636 0 40 FDAB COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 9238427 OESNDIUNJMLBGJ-CHWSQXEVSA-N 367.862 1.762 0 40 FDAB COc1ccccc1CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 8115721 AXRXNCJPJDSLAH-UHFFFAOYSA-N 373.434 1.440 0 40 FDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCO[C@H](c2nccs2)C1 171665851 FMQZOPHOUAYYCB-WFASDCNBSA-N 372.450 1.890 0 40 FDAB CCc1noc(CC)c1CC(=O)NCc1ccc(N2CCN(C)CC2)nc1 87036680 GVBWUPOOQSNPJK-UHFFFAOYSA-N 371.485 1.805 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 72402454 SVUUNZPRXCFPFN-UHFFFAOYSA-N 351.410 1.577 0 40 FDAB C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCOC2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 84689133 SEXCLYBIDDAOBZ-FZMABENVSA-N 370.449 1.991 0 40 FDAB CCc1nc(CCNC(=O)N2CCC(N(C)CCCO)CC2)cs1 95400335 BSVXAIKEYFXTQD-UHFFFAOYSA-N 354.520 1.736 0 40 FDAB CC1(C)C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C(=O)O1 95435813 QCSRLWBSVBKMCD-SNVBAGLBSA-N 372.468 1.357 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)Nc1cccc(S(=O)(=O)NC)c1C 95427222 NWXVPFHXXBEOJS-LLVKDONJSA-N 370.475 1.329 0 40 FDAB O=C(NCc1ccccc1)c1cc(NC[C@@H]2CCS(=O)(=O)C2)ccn1 95958632 QTAOQEQXNNKTHP-HNNXBMFYSA-N 359.451 1.858 0 40 FDAB O=CN[C@@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 33794953 NSGJHPXAGOJXEQ-CWSCBRNRSA-N 364.660 1.710 0 40 FDAB Cc1cc(N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)n2ncnc2n1 306124108 BGGAMYHGJZBNAP-MRXNPFEDSA-N 366.425 1.782 0 40 FDAB Cc1noc(CCCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524733116 WBVLMRIMPUWETP-IYJAJMOOSA-N 370.409 1.537 0 40 FDAB O=C(CCCn1cnnn1)Nc1cccc(N2CCCCS2(=O)=O)c1 524733575 WJQSREIFWIBVKP-UHFFFAOYSA-N 364.431 1.022 0 40 FDAB COC(=O)c1cn(NC(=O)CCc2cc(Cl)no2)cc2c(O)nnc1-2 524734152 CQZRFJXNBRXFKA-UHFFFAOYSA-N 365.733 1.219 0 40 FDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217531438 WTGKKYSYUXZYHH-LLVKDONJSA-N 360.432 1.146 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)COc2cn(C)c(C)cc2=O)n1 72400872 OIQNODAWKNVISR-UHFFFAOYSA-N 365.411 1.273 0 40 FDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 79481006 CPGYYQDUZIVCDB-ZDUSSCGKSA-N 372.450 1.345 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C3CC3)nc2)cc1 1565523309 KABLAXPGTXIAQK-UHFFFAOYSA-N 361.423 1.302 0 40 FDAB Cn1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 35648633 CPQKJFZKVCKIIW-WPVMNKCKSA-N 354.409 1.544 0 40 FDAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nncs1 33794136 QWKGZSBHRSWOGX-UHFFFAOYSA-N 353.820 1.898 0 40 FDAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(C)=O)s1 225715645 WGMGNYBBDPAEAU-MRVPVSSYSA-N 356.429 1.545 0 40 FDAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 44401790 VJDOGNQVJAMIDQ-ZDUSSCGKSA-N 354.428 1.473 0 40 FDAB C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)N1CCN(c2ccc(F)cc2)CC1 190371731 XLJVSAFBMPEBBS-CQSZACIVSA-N 372.448 1.650 0 40 FDAB CCOc1ccc(OCC(=O)N2CCCN(CCn3cccn3)CC2)cc1 75162613 DBRNAMLIGJEMQV-UHFFFAOYSA-N 372.469 1.895 0 40 FDAB COc1cc(N2CCOCC2)nc(NC(=S)NCc2cccnc2)n1 225939083 BTUDQLVCKRAKKW-UHFFFAOYSA-N 360.443 1.203 0 40 FDAB COc1cccc(-c2nc(N3CC[C@@](O)(C(N)=O)C3)c3ccccc3n2)c1 573601654 SRHLFYYRBCOYLZ-FQEVSTJZSA-N 364.405 1.732 0 40 FDAB CCOC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 225615204 HTHJKNVGKKESDD-UHFFFAOYSA-N 370.412 1.474 0 40 FDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)cc1 583616238 YXPBMJNNDNVRRW-PXNSSMCTSA-N 356.422 1.906 0 40 FDAB CC(=O)N1CC2(CCN(Cc3ccc(C)o3)CC2)[C@@]2(CCN(C)C2=O)C1 97952880 LMLYBCMWCULCPB-FQEVSTJZSA-N 359.470 1.881 0 40 FDAB COc1cccc2c1OCC(C(=O)N(CCC(=O)O)C1CCOCC1)=C2 579304675 GKGOKQCWMGSRRY-UHFFFAOYSA-N 361.394 1.953 0 40 FDAB Cc1nnc([C@]23COC[C@H]2CN(C(=O)Cc2ccc4c(c2)OCO4)C3)o1 96110114 XUGZCASBZYFYOF-FZKQIMNGSA-N 357.366 1.076 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)NC[C@H](O)Cn3ccccc3=O)c2O1 96124313 XZNCRFJSEAOHFP-HNNXBMFYSA-N 372.421 1.118 0 40 FDAB Cc1cccc(CO[C@@H]2[C@@H](NC(=O)c3ccoc3)CN3CCOC[C@@H]23)n1 247864210 HPYVCWZQUQBXAE-OKZBNKHCSA-N 357.410 1.381 0 40 FDAB Cn1cncc1-c1cncc(C2CCN(CC3(O)CCOCC3)CC2)n1 257255683 KILYJKOGFPBCKU-UHFFFAOYSA-N 357.458 1.598 0 40 FDAB CC(C)c1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)on1 257284687 PDUKKWJQKWLKQJ-SFHVURJKSA-N 359.430 1.692 0 40 FDAB Cc1noc(C)c1-c1cccc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 257295183 QXHLFYQXCDIUIR-HNNXBMFYSA-N 366.443 1.533 0 40 FDAB CN1CCC(N2CC3(CN(Cc4ccccc4)C[C@@H]4COCCN43)C2)CC1 604381848 RLPYIOHCXSPNNP-OAQYLSRUSA-N 370.541 1.352 0 40 FDAB biogenic,in-vitro Cc1cc(CN(C)C(=O)[C@@]2(C)CCCN(C(=O)CCn3ccnc3)C2)no1 257279800 OIFJCAABUXMRPO-IBGZPJMESA-N 373.457 1.857 0 40 FDAB CC(=O)N1CCC[C@@H]2N(C(=O)CNC(=O)c3ccccc3)CCC[C@@]21C 257334279 YFFZATRIUPNXSF-PXNSSMCTSA-N 357.454 1.808 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257267001 MFNIGAOZSKOSDV-OAHLLOKOSA-N 372.450 1.609 0 40 FDAB C[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1nc(-c2cccc(F)c2)no1 543543181 JPHAQSWRDMGUFF-LLVKDONJSA-N 369.418 1.466 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(OCC(=O)O)cc1 663116762 IQDRZDCRTCWVKO-KRWDZBQOSA-N 368.389 1.463 0 40 FDAB O=C1CN(C(=O)Nc2ccc3c(c2F)CCNC3)CN1CC(F)(F)F 667835827 QKLGIXROKWKGEA-UHFFFAOYSA-N 360.311 1.667 0 40 FDAB O=S(=O)(N1CCCCC1)N1CC(OCCCOc2ccccc2)C1 674719941 MITDJKCGTGPYJY-UHFFFAOYSA-N 354.472 1.887 0 40 FDAB CSC1(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCN(C)CC1 597669076 LIVJTFJVOSVDBK-HUUCEWRRSA-N 352.504 1.232 0 40 FDAB Cc1cccc(CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)O)N2c2cnn(C)c2)c1 630662373 DRENLANTXGGTNH-IRXDYDNUSA-N 356.426 1.809 0 40 FDAB Cc1nn(C)c2nccc(NC[C@H]3CCCCN3S(=O)(=O)N(C)C)c12 643190178 SZBGXGLUISQCMD-CYBMUJFWSA-N 366.491 1.350 0 40 FDAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O 96036606 JPDOVCBPAGDFAD-FQEVSTJZSA-N 362.518 1.714 0 40 FDAB CCOCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585098688 XDMNAFVUYKBBME-CQSZACIVSA-N 371.441 1.077 0 40 FDAB COC[C@@]1(CC(=O)NCCn2nc(C)c(C)c2C)CCCN1C(C)=O 585280791 PBGJIKHZXZLWGU-SFHVURJKSA-N 350.463 1.342 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3ccoc3C)CC(F)(F)C2)C1=O 585093238 KOTVCVWECNUDKC-MRXNPFEDSA-N 356.369 1.934 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 585111518 COCSMOJCBFACIS-AWEZNQCLSA-N 354.501 1.749 0 40 FDAB Cc1ncoc1C(=O)N1CCn2c(COc3ccccn3)nnc2[C@@H]1C 585097403 KZUWYJADLKCZBU-LBPRGKRZSA-N 354.370 1.766 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ncn(C)n4)C3)C2=O)n1 585100992 RBAMEEWROLMGJL-IBGZPJMESA-N 368.441 1.173 0 40 FDAB CCc1noc(CC)c1CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 88780551 TVFKBEHFVCIZHK-UHFFFAOYSA-N 363.439 1.564 0 40 FDAB CCc1cc(=NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)c2ccccc2[nH]1 644413513 WQMFPABVWHRTES-KRWDZBQOSA-N 350.426 1.572 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497266 IUOCSPUKEORDBZ-QCBUCWTNSA-N 368.389 1.970 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(OC(C)C)cc2)c(=O)[nH]c1=O 14084446 VYWSSUUQOIGKCC-UHFFFAOYSA-N 374.441 1.983 0 40 FDAB CCCn1cnc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n1 19664887 CZVGLZTYWXBMMN-ZDUSSCGKSA-N 357.414 1.997 0 40 FDAB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(Cc3ccco3)C1=O)OCO2 8301668 HIBOJRFPSQNSAP-AWNIVKPZSA-N 354.318 1.979 0 40 FDAB Cc1noc([C@H]2CN(S(=O)(=O)Cc3ccccc3F)C[C@@H](C)O2)n1 625479892 OSYDRJUGEARRHA-QMTHXVAHSA-N 355.391 1.809 0 40 FDAB CO[C@H]1CCN(c2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)C1 252509073 YCBMEYXVPDMGJA-SFHVURJKSA-N 357.454 1.606 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 2056226756 ZDUCURBPUBQYPP-LPHOPBHVSA-N 373.478 1.819 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc21 4512180 IOLBECWRXZUESS-UHFFFAOYSA-N 360.435 1.953 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941477 LEYYIMLBNDMOCD-OAHLLOKOSA-N 361.398 1.385 0 40 FDAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)c1 5409529 LHXWMYIGHUPBJV-UHFFFAOYSA-N 369.377 1.837 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC2CCCCC2)n1 9037665 VYFGZSIAUPKFIX-UHFFFAOYSA-N 372.429 1.214 0 40 FDAB CCn1c(=O)c2c(nc(NC[C@H](C)O)n2Cc2ccc(C)cc2)n(C)c1=O 36693341 YOCKDACGOWSWHZ-ZDUSSCGKSA-N 371.441 1.066 0 40 FDAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cccnc3)ncn2)n1 38670408 LAVCYLNOSCTNPP-UHFFFAOYSA-N 373.442 1.065 0 40 FDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 101080718 RGCKYJOSEHCNTI-LFGHMXSPSA-N 363.801 1.965 0 40 FDAB CCOC(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 31211570 ODWVDIPAJKPIJK-UHFFFAOYSA-N 374.363 1.885 0 40 FDAB Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)sc3nc12 20312449 FSNANWMSZHBRHZ-UHFFFAOYSA-N 372.450 1.280 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3cc(C)sc32)cc1 32070958 QFCJDAWFJDSSGP-UHFFFAOYSA-N 359.407 1.717 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2[nH]c1=O 3907534 WEKMLOJJAKQTKV-UHFFFAOYSA-N 357.391 1.358 0 40 FDAB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccccc1C(=O)O 6792718 KRHOQCBHYLNDIB-UHFFFAOYSA-N 353.334 1.542 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102427170 PLQSGNQDDSEXMY-CHWSQXEVSA-N 356.378 1.671 0 40 FDAB CCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404772 XAGGFMOLPOTORI-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB CCOc1ccc2nc(NC(=O)CN3[C@@H]4CC[C@@H]3CC(=O)NC4)sc2c1 100463542 CPCVQNYADCIHIR-VXGBXAGGSA-N 374.466 1.986 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)c2ccccc2O1 41785240 VRAQBJWUAQVOPV-ZWKOTPCHSA-N 365.389 1.720 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 798542 STGYHIYSPVRAGO-UHFFFAOYSA-N 362.407 1.717 0 40 FDAB CC(=O)N1C[C@H](C(=O)NCCc2cn3ccccc3n2)Oc2ccccc21 23319694 MCUSOACREDKYAM-GOSISDBHSA-N 364.405 1.807 0 40 FDAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 23731385 BOQFXUPSDPIQOG-OAHLLOKOSA-N 352.481 1.788 0 40 FDAB COc1ccc(-c2nc(-n3[nH]c(C)c(CCO)c3=O)ncc2C)cc1F 1399565 DLEUOUVJRTXDGO-UHFFFAOYSA-N 358.373 1.922 0 40 FDAB COc1cc(CNCCn2ccnc2)ccc1OCC(=O)N1CCCC1 25359814 ZWWFWDBHAQBXCY-UHFFFAOYSA-N 358.442 1.683 0 40 FDAB COc1c([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc2c(c1OC)OCO2 35326582 UHQXVHUORCYKRY-GFCCVEGCSA-N 371.349 1.832 0 40 FDAB O=C(Cc1cnn(-c2ccccc2)c1)NN1C(=O)NC2(CCCCC2)C1=O 24361982 GXZRZDPJDAGXQK-UHFFFAOYSA-N 367.409 1.701 0 40 FDAB O=C(Nc1ccc2ccccc2n1)c1cn(CC(=O)N2CCCC2)nn1 58168594 UNHAQMAHJCFLAK-UHFFFAOYSA-N 350.382 1.701 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c(-c2cccs2)noc1=O 58248918 MVAFBDKXEKFXOW-SNVBAGLBSA-N 353.400 1.269 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nncs1 58201763 HQBFUZHBNRQYEX-UHFFFAOYSA-N 363.418 1.003 0 40 FDAB NS(=O)(=O)CCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 58292589 SZAKIVMAJPRGNX-UHFFFAOYSA-N 359.451 1.268 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccccc2)c(=O)[nH]c1=O 10340045 VMZXGVAWCMJMCU-CQSZACIVSA-N 356.426 1.549 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 118915308 AODPIQQILQLWGS-FGOZUOQZSA-N 366.498 1.653 0 40 FDAB in-vitro COCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 28202113 NXDLZMCXWNBRIW-INIZCTEOSA-N 356.488 1.841 0 40 FDAB CN(C)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 28324928 MDYKUCJEWYXQTN-UHFFFAOYSA-N 372.513 1.913 0 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FDAB CONC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 14240148 CCSXZAADMPKYJJ-UHFFFAOYSA-N 350.396 1.812 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnn(OCc3cccc(Cl)c3)c2c1 5456862 FXSLHTICALRSSY-UHFFFAOYSA-N 366.830 1.964 0 40 FDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6719196 BYQNBLHTRQXNBC-VXGBXAGGSA-N 368.436 1.079 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 14849009 MZDPGFHEGKNDHS-UHFFFAOYSA-N 353.444 1.217 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnnn2-c2ccc(C)cc2C)CC1 8709030 NSFMXHOTYHTTKA-UHFFFAOYSA-N 374.470 1.062 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(F)cc1 4937752 ZRCJZZQVQRHSIV-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB O=C(N[C@H]1CCSC1=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976098 YCFOBXORKLGKJF-JSGCOSHPSA-N 350.415 1.365 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O 7654706 LXVKSAIDOROCLX-UHFFFAOYSA-N 374.441 1.439 0 40 FDAB CN1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1 78789789 ZIURUGJLEZKTSG-UHFFFAOYSA-N 368.409 1.912 0 40 FDAB COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc(OC)c1 9458926 BYMMHLBAXPOSOX-SFHVURJKSA-N 373.365 1.703 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O 9533070 VUESEVBEFAUVAC-XTZNXHDOSA-N 371.397 1.295 0 40 FDAB CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)(C)C)cc1 97018070 DHQRPCRKZKICAT-KUCQQTCKSA-N 368.455 1.566 0 40 FDAB CCNC(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 97060174 GRFOQSIEDIMJKE-UHFFFAOYSA-N 374.489 1.358 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 95369218 IHYWWUNQZXNBBH-FGTMMUONSA-N 372.465 1.914 0 40 FDAB CCCn1nc(C(=O)NC[C@@H](Cc2ccc(C)cc2)C(=O)O)ccc1=O 95970690 KYYKCZGPGZAVFL-OAHLLOKOSA-N 357.410 1.635 0 40 FDAB Cn1c(Cl)cnc1CN1CCN(CC(=O)NCc2ccccc2)CC1 95947128 GVCCQEPTETYVDK-UHFFFAOYSA-N 361.877 1.508 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@H]1C(=O)O 9912038 HUEGQSCQXHJVFK-HNNXBMFYSA-N 366.439 1.469 0 40 FDAB CCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)n[nH]1 548681741 QHILSTZQONQFIQ-AAEUAGOBSA-N 350.398 1.348 0 40 FDAB CC(=O)N1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)Oc2ccccc21 32741235 ZISLIEPHYPLNAP-IBGZPJMESA-N 368.389 1.888 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 32088353 SORKOMUVSJFHSL-UHFFFAOYSA-N 355.847 1.399 0 40 FDAB CN1C(=O)N([C@@H]2CCO[C@H]2c2cnn(C)c2)C(=O)[C@H]1Cc1ccccc1 566673724 YNFCBOAQZZQBOJ-ZACQAIPSSA-N 354.410 1.755 0 40 FDAB CC(C)(C)c1csc(CN2C(=O)C3(CCS(=O)(=O)CC3)N=C2O)n1 329136771 CZFCHMTYLYYJOO-UHFFFAOYSA-N 371.484 1.644 0 40 FDAB CCOc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 223707907 PGKQMGBJWXPSNM-UHFFFAOYSA-N 369.464 1.967 0 40 FDAB CCN1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 328682913 DGGCMXDUIMCFMB-DZGCQCFKSA-N 353.829 1.826 0 40 FDAB CC(C)(CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)N1CCOCC1 43874992 GRAURJNMCROQOW-UHFFFAOYSA-N 360.458 1.811 0 40 FDAB COc1ccc(F)cc1CN1CCN(C(=O)c2cnn3cccnc23)CC1 328591031 ZOLGTCCQIHCYBP-UHFFFAOYSA-N 369.400 1.835 0 40 FDAB Cc1nc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cs1 40043062 GSGJMEZLRDYBJT-APPDUMDISA-N 364.471 1.611 0 40 FDAB C[C@@H]1CCCN(Cc2csc(NC(=O)[C@H]3CC[C@@H](C(=O)O)O3)n2)C1 1594384738 RCQWSLULPYIULY-RTXFEEFZSA-N 353.444 1.946 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN(c3ncccn3)C2)O1 96100464 RUROKPCKXOUDDN-PKOBYXMFSA-N 358.442 1.956 0 40 FDAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(N)cc1 96518231 AEUUOLGOBGQHJJ-VIFPVBQESA-N 373.599 1.824 0 40 FDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@@H](COc2ncccc2F)C1 247314679 JUWVFFOAPJHZMW-GFCCVEGCSA-N 352.391 1.345 0 40 FDAB O=C(Cc1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@H](OCC2CC2)C1 247848070 HQGNPPPEFUDVGK-QGZVFWFLSA-N 369.421 1.992 0 40 FDAB COc1ccc(N/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 256055683 PPBHRMCRBGBUBJ-UVTDQMKNSA-N 351.391 1.791 0 40 FDAB CNc1nccnc1[C@H]1CN(Cc2ccnc(N3CCCC3)n2)CCO1 257296760 REHFXOORZGKRSM-OAHLLOKOSA-N 355.446 1.482 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257329428 XJYWFSZBSBVJGO-SFHVURJKSA-N 355.442 1.964 0 40 FDAB Cc1nc(O)cc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257277967 OAEAVRJHAWMPIU-INIZCTEOSA-N 359.382 1.528 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)[C@H]1O 257250535 JMXLNOASNNEAFN-GPMSIDNRSA-N 353.426 1.881 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1 257333058 XZXXXTWGKQTPNW-QGZVFWFLSA-N 351.410 1.922 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1Cl 257327546 XBUHOPUAYXRWBW-PBHICJAKSA-N 366.845 1.735 0 40 FDAB Nc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 262306105 YFZASZVPCYVXFV-UHFFFAOYSA-N 359.451 1.344 0 40 FDAB O=C(Nc1nccs1)[C@H]1CCCN1S(=O)(=O)c1cncc(F)c1 588903951 DPGKKTNELUVYOM-LLVKDONJSA-N 356.404 1.469 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1C(=O)CCC1=O 260815137 SPHYRLMGAGGLFP-LBPRGKRZSA-N 366.439 1.769 0 40 FDAB CC(C)S(=O)(=O)CCCN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O 675727173 FRSQEACACHUMKZ-MRXNPFEDSA-N 360.476 1.468 0 40 FDAB COc1cc2nc(CN(C)[C@@H]3CCCCN(C)C3=O)nc(O)c2cc1OC 634741298 XYGMKMONRFLXSI-CQSZACIVSA-N 374.441 1.795 0 40 FDAB Cc1cc(NC(=O)CN2CCCC[C@H](O)C2=O)n(Cc2ccccc2)n1 644324868 VKKHYVVLLDVYOH-INIZCTEOSA-N 356.426 1.552 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1F 644577543 QJQCUQRTXCRZSQ-AWEZNQCLSA-N 359.419 1.681 0 40 FDAB O=C(Cc1ccn(-c2ccccc2)n1)N1CCC[C@H](c2nc(O)n[nH]2)C1 665490507 JECRGWVLTXXGNY-ZDUSSCGKSA-N 352.398 1.645 0 40 FDAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 646034666 AEWYOKABDMXFFO-HNNXBMFYSA-N 353.440 1.823 0 40 FDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(C2CC2)C[C@H](C)C1 295437738 VLLGENJVFZWSIE-LBPRGKRZSA-N 357.458 1.125 0 40 FDAB O=S(=O)(N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1)C(F)(F)F 575403223 GUGCJAXJYTYDMD-VIFPVBQESA-N 370.324 1.683 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(OC)c1)[C@H]2C 585097887 SMNQNCGEBYUTBD-NSHDSACASA-N 352.416 1.199 0 40 FDAB CO[C@H]1CCCN(C(=O)COc2ccccc2Cl)[C@H]1CCC(N)=O 585278664 QDEKPHHJNDMAHM-ZFWWWQNUSA-N 354.834 1.990 0 40 FDAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 684877873 AUVWSGQINPFFHD-INIZCTEOSA-N 362.455 1.825 0 40 FDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 12544849 LMOPBQJWMCDDHA-UHFFFAOYSA-N 370.408 1.557 0 40 FDAB CCCNS(=O)(=O)c1cc(C(=O)NCCCOCC)ccc1OC 14291967 PAMWDNVJEHKGKP-UHFFFAOYSA-N 358.460 1.540 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Cl 17074991 UYDPARPIQSFIMZ-NEBZKDRISA-N 364.785 1.221 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)C(=O)O1 19460960 GVSBCLGBISLDQH-CHWSQXEVSA-N 358.442 1.170 0 40 FDAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 167834688 LBZRHCSMMXUSHJ-KPKJPENVSA-N 365.363 1.749 0 40 FDAB Cc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)nc(-c2cccnc2)n1 624422125 DXULEPUEQCIUKB-HZPDHXFCSA-N 352.398 1.209 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 239593165 DRZXGTROLLPXLW-HNNXBMFYSA-N 374.466 1.793 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888876474 WVNSFOLXGXPFMG-QIIPPGSGSA-N 364.421 1.985 0 40 FDAB Cc1nc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cs1 1888900825 KVLNAXBWQJCNBX-VXGBXAGGSA-N 355.427 1.098 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1 19670429 XGACPAKNHCVIDK-KRWDZBQOSA-N 372.513 1.816 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O 36386059 WYFGKTRBDJBBIR-SFHVURJKSA-N 374.397 1.627 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1 1776008607 JTBGCHNGKWZEOZ-UHFFFAOYSA-N 362.333 1.286 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)cc1Cl 238919776 SWFMTEMKEVFTLB-ZDUSSCGKSA-N 358.851 1.943 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1141897759 DWTBJFZRXFRRJE-QGZVFWFLSA-N 365.433 1.371 0 40 FDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1=O 1565553247 QCBAKVUDOYMAQD-WIYYLYMNSA-N 367.449 1.801 0 40 FDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1COC2(CCCC2)O1 5353477 GZXKUZWFHGJTOY-ZDUSSCGKSA-N 352.818 1.758 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccco3)c2C)n1 16849579 PAIHSDGMIGYIEN-UHFFFAOYSA-N 355.398 1.723 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)CCc1ccc[nH]1)CC2)c1cnccn1 2055796141 CYXFKZYZUVHGHJ-KRWDZBQOSA-N 367.453 1.939 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)[C@]1(C)CC=CCC1)C2 2055812513 JFIRWBSONGSGNR-UXHICEINSA-N 371.485 1.416 0 40 FDAB O=C(NCc1nnc(SCCN2CCOCC2)o1)c1ccc(F)cc1 22628064 VGBMRSAHZBNVMM-UHFFFAOYSA-N 366.418 1.563 0 40 FDAB CCc1ccccc1NC(=O)Cn1cnc2c(C(N)=O)nsc2c1=O 49409379 GDACNBJZRWLSPZ-UHFFFAOYSA-N 357.395 1.153 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226859701 BYWMOJMZIZVEOB-UHFFFAOYSA-N 362.363 1.388 0 40 FDAB Cc1nc(NCCNC(=O)Cn2cccn2)cc(Nc2ccccn2)n1 585446682 KTXRPGCVZIRHLR-UHFFFAOYSA-N 352.402 1.348 0 40 FDAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)NCc1ccco1 2298107089 WYMXYBNOTHIAJT-AWEZNQCLSA-N 369.412 1.866 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccs2)cc1OC 75156027 MECVKHCVRIEXIG-NSHDSACASA-N 350.396 1.554 0 40 FDAB O=C(NCc1cc[nH]n1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 40105386 FGSCYEZOSAHBLJ-UHFFFAOYSA-N 353.264 1.040 0 40 FDAB COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=O)N(C)C)c1 20573029 VPXXIMAOLLXTJW-UHFFFAOYSA-N 365.474 1.910 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CCCC2)cc1 814450 UTOZPOWOSVMCRS-OAHLLOKOSA-N 350.440 1.734 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 3409957 DFRWLGAIGDCRKM-UHFFFAOYSA-N 359.403 1.836 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCC(=O)N1CCOCC1 3427116 SVDPWHNIJLSIDM-UHFFFAOYSA-N 361.442 1.339 0 40 FDAB CCC(CC)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 2627988 XIZWRAUGQCXYMP-MRXNPFEDSA-N 356.426 1.936 0 40 FDAB CCN(CC)C(=O)CNC(=O)NCCC(=O)N1CCc2sccc2C1 52144649 YGKLNMGBNONSSR-UHFFFAOYSA-N 366.487 1.191 0 40 FDAB CC(C)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1 32739671 BXMAYZOKSSUUPQ-GFCCVEGCSA-N 357.501 1.871 0 40 FDAB CCN(CC)CCCNC[C@H](O)COc1ccc(C(C)=O)cc1OC 6052679 USPBMBYRWRKLSG-KRWDZBQOSA-N 352.475 1.959 0 40 FDAB Cc1nsc(N2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1 75967078 ZYILWQYJXSRKMO-NSHDSACASA-N 350.448 1.682 0 40 FDAB Cc1ccccc1CCNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 32863361 RAAJQLOTLBDKQW-UHFFFAOYSA-N 359.470 1.818 0 40 FDAB O=C1CN(c2ccc(NC(=O)Cc3noc4ccccc34)cc2)CCN1 46695907 ORKJFINKQWPRDZ-UHFFFAOYSA-N 350.378 1.945 0 40 FDAB CN1CCc2nc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C1 102951997 HGOKYYMFTXROMI-QWRGUYRKSA-N 362.455 1.245 0 40 FDAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 22689729 KDLRETFRFCDFKY-UHFFFAOYSA-N 372.406 1.549 0 40 FDAB O=C(OCc1noc(-c2ccco2)n1)c1ccc(N2CCOCC2)nc1 24048848 WWMZIXVDNZMGCG-UHFFFAOYSA-N 356.338 1.918 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)nc2c1 100917883 ZTKYSQQEFVALOZ-YRZLHWLASA-N 358.375 1.676 0 40 FDAB CN(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1 24587150 NEZUMCQLNMIOGV-HNNXBMFYSA-N 354.410 1.868 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)CC1 106568521 NBKFXNMJBOYZBW-QGZVFWFLSA-N 373.501 1.117 0 40 FDAB COc1ccccc1C(=O)NCCCNC1=NS(=O)(=O)c2ccccc21 59483882 FTPZEABIBUUJSD-UHFFFAOYSA-N 373.434 1.554 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 3234105 XGZZLHKSJRWSTO-UHFFFAOYSA-N 356.334 1.327 0 40 FDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC[C@H]1COCCO1 56453892 JKXLGTGJOCYOJX-HNNXBMFYSA-N 356.426 1.576 0 40 FDAB CCN1CC[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 107888920 ILYZEPSMDQLLLQ-JSGCOSHPSA-N 351.397 1.776 0 40 FDAB O=C(CN1CCc2ccccc2C1)NN1C(=O)NC2(CCCCC2)C1=O 35310689 SPIGNMOFFRCYDN-UHFFFAOYSA-N 356.426 1.331 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1 58180416 INTQLFFXCSARMI-UHFFFAOYSA-N 352.438 1.881 0 40 FDAB Cc1cc(C(=O)NC2CCN(C(=O)COCc3ccccc3)CC2)no1 58202454 OKVKDSNDVSJLLH-UHFFFAOYSA-N 357.410 1.921 0 40 FDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCOc1ccccc1 58238211 QRQBVYWPOSJEBJ-CYBMUJFWSA-N 367.496 1.963 0 40 FDAB CCN(CC)CCNc1nc2nnnn2c2sc3c(c12)CCN(C)C3 2346448 ONRBEHPZWHNBTH-UHFFFAOYSA-N 360.491 1.476 0 40 FDAB Cc1c(Br)cnn1[C@@H](C)C(=O)NCCCN1CCOCC1 36611038 HXQTXEVGKAJIFW-LBPRGKRZSA-N 359.268 1.354 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12812359 PYMVEDRUPTVORG-UHFFFAOYSA-N 374.422 1.200 0 40 FDAB O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12921930 OUFRIJYQVBARIQ-UHFFFAOYSA-N 373.425 1.923 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1 12908561 MBDIEDJWADNSLI-UHFFFAOYSA-N 373.383 1.728 0 40 FDAB O=C(Cc1ccsc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 6237334 UJZJUFRUTSOYMH-UHFFFAOYSA-N 368.455 1.963 0 40 FDAB O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCOCC1 5268709 LEHJTYAVLYWMRB-UHFFFAOYSA-N 356.426 1.457 0 40 FDAB Cn1c(SCC(=O)NC2=NCCS2)nnc1-c1cccc(F)c1 13956517 NGLKESOXSFHIDB-UHFFFAOYSA-N 351.432 1.932 0 40 FDAB CS(=O)(=O)N1CCc2cc(C3=NN=C(NC4CC4)SC3)ccc21 8943863 KKHUYJHOWHOQMB-UHFFFAOYSA-N 350.469 1.568 0 40 FDAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5360673 IIWXYTAERQQALT-SNVBAGLBSA-N 352.350 1.846 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 65674653 WPNCGDFVJWXLAN-ZIAGYGMSSA-N 358.490 1.910 0 40 FDAB CC(=O)N1CCN(c2ccccc2NC(=O)c2nccnc2C(=O)O)CC1 71279887 IDLNDAJDIVOFEP-UHFFFAOYSA-N 369.381 1.096 0 40 FDAB Cn1cc(NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1 96005060 YXSZYRKCPFJQRE-HNNXBMFYSA-N 363.443 1.858 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)on1 17186784 VWQQSARICBLIQL-UHFFFAOYSA-N 369.830 1.783 0 40 FDAB CN(C)CCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 72072079 FEIJWEWQVAHSDH-ZDUSSCGKSA-N 351.451 1.783 0 40 FDAB CCCNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21 9843792 JFKHWYXEDKIPCU-UHFFFAOYSA-N 366.421 1.327 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1 306143318 XYPBWAKXTRVUJC-AWEZNQCLSA-N 367.475 1.141 0 40 FDAB O[C@@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@H]1CCCO1 79076653 VNOPHRLKZSECQJ-ZWKOTPCHSA-N 354.454 1.806 0 40 FDAB O=c1cc(CO)oc(CN2CCN(Cc3ccccc3Cl)CC2)c1O 79487401 VILYVXKFFVOXDD-UHFFFAOYSA-N 364.829 1.809 0 40 FDAB COc1ccc([C@H](OC)[C@H](C)NC(=O)c2nc3nccc(C)n3n2)cc1 95458891 ZWYKPFIGRAGMJP-SWLSCSKDSA-N 355.398 1.947 0 40 FDAB O=C1[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CN1c1ccccc1 95469422 WTLQHCCFMVOMNR-ZDUSSCGKSA-N 351.815 1.570 0 40 FDAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccccc1)c1nc(-c2nc[nH]n2)no1 95432609 NDNNSZAQMAFTGG-NSHDSACASA-N 362.415 1.920 0 40 FDAB Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 60463337 ZYABMWLIPHVEKZ-UHFFFAOYSA-N 373.478 1.940 0 40 FDAB COc1ccccc1OCC(=O)N1C[C@H]2OC[C@H](CN3CCCC3)[C@H]2C1 306134364 NLBNYOARGGBBMI-FRQCXROJSA-N 360.454 1.643 0 40 FDAB O=C(NCCc1ccccn1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709705 WELNEAMTRRYABD-UHFFFAOYSA-N 352.394 1.271 0 40 FDAB C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 32929502 QHIVKKMYZRXMHD-LLVKDONJSA-N 352.378 1.704 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccnc1 524731632 FQKOZQGINMLFOU-QOKNQOGYSA-N 354.410 1.499 0 40 FDAB biogenic Cc1cnc(N)c(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)c1 72373411 AJFYMFYKJGRNLS-OAHLLOKOSA-N 372.469 1.650 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 30944815 QXQUAZOAUBROHY-UHFFFAOYSA-N 370.409 1.516 0 40 FDAB COc1cc(CCC(=O)NCC(C)(C)N2CCOCC2)cc(OC)c1 39996842 BWOQQEVRVCSNOR-UHFFFAOYSA-N 350.459 1.863 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 38145082 GAGBSNIADZBEGJ-LBPRGKRZSA-N 358.394 1.663 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)NCC[S@](C)=O)[C@@H]31)O2 72334272 MYCFJOVNBCZKKW-XVGWWYFUSA-N 361.463 1.850 0 40 FDAB Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)C[C@@H]2C)cc1 226977967 FUMBRRPVZRBAAB-MWTISTBLSA-N 358.438 1.910 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccco2)s1 224316645 VPLXXFRTOWYSFT-UHFFFAOYSA-N 362.458 1.301 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1C(=O)O 226856744 QPOCJVJYLUWPGS-UHFFFAOYSA-N 367.335 1.598 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1N(C)C 224342212 PFDHVUVUEFSTLR-UHFFFAOYSA-N 365.459 1.726 0 40 FDAB CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96267576 DGSDWHIKDPQXRN-ZDUSSCGKSA-N 370.457 1.919 0 40 FDAB COCCn1cnc(-c2nc(C(=O)N3CCOCC3)c3ccccn23)c1 96266872 YMHNYPSZEBTSFA-UHFFFAOYSA-N 355.398 1.317 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1ccccn1 96051371 FYHFGQFYTXAONJ-IBGZPJMESA-N 354.410 1.111 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4cccnc4)C3)C2)nn1 96240558 KIUZXESVEMRIEU-UYAOXDASSA-N 369.469 1.900 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nncs1 96301013 IYOWPTABWJOBJK-UHFFFAOYSA-N 364.406 1.148 0 40 FDAB CC(C)C(=O)N[C@H]1COC2(CCN(S(=O)(=O)c3cccs3)CC2)C1 96220650 SMFBDXXHRSKDOT-CYBMUJFWSA-N 372.512 1.833 0 40 FDAB CC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 96143296 QXRSCIAIILHJDE-QGZVFWFLSA-N 364.833 1.542 0 40 FDAB COc1ncccc1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247898054 VHCYZSVHJLQGHA-AWEZNQCLSA-N 355.394 1.938 0 40 FDAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257343802 ZUMDJPAOAQTBLE-OAHLLOKOSA-N 364.475 1.612 0 40 FDAB COc1ccccc1CC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257280127 OJNWZFRJFASIOL-IBGZPJMESA-N 356.426 1.128 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257267472 MHLCBNPEFDJVHU-OALUTQOASA-N 372.469 1.029 0 40 FDAB Cc1cc(N2CC[C@](O)(CNC(=O)c3c(C(C)C)noc3C)C2)ncn1 257274396 NKYJQWTZZCKHJQ-SFHVURJKSA-N 359.430 1.576 0 40 FDAB Cc1nn(C)c(C)c1-c1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257344433 ZXENEURUTOQDOB-CQSZACIVSA-N 363.487 1.708 0 40 FDAB Cc1cc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)ccc1-n1cnnn1 591491301 UIPAFWOMSDXWOI-MRXNPFEDSA-N 371.445 1.299 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(S(N)(=O)=O)CC1 668034452 JSHRYRHCQFDGEE-XJKSGUPXSA-N 356.492 1.124 0 40 FDAB CO[C@H]1CN[C@H](C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 1776002652 XJTBBACJVOLIJH-UNEWFSDZSA-N 364.465 1.132 0 40 FDAB O=C(Cc1cccc(F)c1F)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 585108405 GHIHWRZDMGUCOA-DNVCBOLYSA-N 364.392 1.794 0 40 FDAB CN1C[C@H](COCc2ccncc2)CC12CN(C(=O)c1ncccn1)C2 585093893 NIHGSGPWJHYWGU-MRXNPFEDSA-N 353.426 1.235 0 40 FDAB CCn1cnc(S(=O)(=O)N2C[C@@H](c3n[nH]c(C)n3)[C@H](C3CC3)C2)c1 685941034 OOLYTACHPDVPLQ-QWHCGFSZSA-N 350.448 1.144 0 40 FDAB C[C@H](NC1CCN(CC(N)=O)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C 95996246 BLVNCZVDPCRWFP-ZFWWWQNUSA-N 354.495 1.314 0 40 FDAB CCOC(=O)c1csc(C2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)CO2)n1 5905163 PVVMXTGQKPELSR-DGCLKSJQSA-N 355.368 1.554 0 40 FDAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(C)=O)CO[C@H]34)n2)cc1 5433744 GTQAQFNXYHKUAR-WNRNVDISSA-N 370.409 1.235 0 40 FDAB biogenic,in-vitro Cc1cnc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1 5636954 RCGIAAFONUAFHE-UHFFFAOYSA-N 372.425 1.736 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691777 SYRPPKBGHHVDAO-BREBYQMCSA-N 366.336 1.775 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc1OC 12120010 FGEMUWQNSDEVGU-HIFRSBDPSA-N 369.421 1.898 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C3CCNCC3)C2)C1 12219454 WMRLDYLHYRNDJN-OAQYLSRUSA-N 371.481 1.788 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C1CCCCC1 14198336 MUAREIVTPYGOBR-ZDUSSCGKSA-N 365.499 1.876 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15359041 DCMHJZNXUKPFKD-VIFPVBQESA-N 358.441 1.734 0 40 FDAB CCOc1ccc(CCNC(=O)CSc2n[nH]c(N)n2)cc1OCC 15940910 AFRLUBJBPSJNBK-UHFFFAOYSA-N 365.459 1.635 0 40 FDAB COc1ccc(CCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 17155032 UXIVCVYBHDTODI-UHFFFAOYSA-N 356.378 1.513 0 40 FDAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1=O 17288371 SRYARHZVOXYQQM-UHFFFAOYSA-N 373.381 1.060 0 40 FDAB CNc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CN(C)CC2 19711518 JTTJYSMZNTYYFK-CQSZACIVSA-N 366.469 1.921 0 40 FDAB CCCn1c(CN2CC[C@@]3(NC(C)=O)CNC[C@H]3C2)nc2ccccc21 19713073 FBMPPOHYVOUOKW-OXJNMPFZSA-N 355.486 1.746 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)CC1CCN(S(C)(=O)=O)CC1 19748741 DJJVZGPXYJQPHD-UHFFFAOYSA-N 356.492 1.057 0 40 FDAB CN([C@H]1CCN(c2ncnc3cc(F)ccc23)C1)S(=O)(=O)C1CC1 1888865773 WEJIZPLZLSCFML-LBPRGKRZSA-N 350.419 1.772 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1C 16446818 AAENZZKWKUAZRY-OLZOCXBDSA-N 367.423 1.897 0 40 FDAB CN(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1 29775009 DINMRVZUZNJWQB-UHFFFAOYSA-N 367.496 1.994 0 40 FDAB O=C(O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(Br)cc1 35303714 HANUBTLWZDCURL-LBPRGKRZSA-N 362.245 1.772 0 40 FDAB O=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565552083 JJROCEKIZJSOJF-UHFFFAOYSA-N 351.410 1.460 0 40 FDAB Cc1nc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)cs1 1565544906 URZIVGDVNRAWKR-UHFFFAOYSA-N 353.444 1.913 0 40 FDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)(F)C2)C1 2055746447 GUHJHAJCZWYTHO-INIZCTEOSA-N 355.360 2.000 0 40 FDAB Cc1cnc(CNC(=O)[C@H]2CO[C@@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]32)cn1 2055713291 VJHQOKOMWOFKHL-HLLBOEOZSA-N 370.409 1.090 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)no1 22766481 WNGUQPILHDXOHC-ZDUSSCGKSA-N 364.427 1.173 0 40 FDAB COC[C@](C)(CNS(=O)(=O)c1ccccc1Br)OC 575612131 KWGUOOZKVJUFCH-LBPRGKRZSA-N 352.250 1.779 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NCc1cc(C2CC2)n(C)n1 96099367 NGFXSUDEGVEDAH-UHFFFAOYSA-N 355.441 1.624 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2F)C1 40091927 AJKMVDHRPJCCPM-HNNXBMFYSA-N 356.463 1.936 0 40 FDAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NC[C@H]3CCCO3)cnc12 32088598 WSEGUKZPSSBIPL-GFCCVEGCSA-N 356.382 1.450 0 40 FDAB CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)C1CCCCC1 45831006 FZGHXJAQLINQKX-MRXNPFEDSA-N 359.536 1.285 0 40 FDAB NC1=Nc2nc3ccccc3n2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 7718729 BVJZLTSZLDSBFC-GOSISDBHSA-N 362.349 1.010 0 40 FDAB O=c1[nH]ncc(NCCNC[C@@H](O)COc2ccccc2Cl)c1Cl 1999464 UUWABVCZFXKHSU-SNVBAGLBSA-N 373.240 1.518 0 40 FDAB in-man COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4543930 MNPJDCSCEUDQKA-GGNLRSJOSA-N 369.373 1.228 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 4749121 PJKAOVHQCWZPOZ-UGUYLWEFSA-N 364.829 1.867 0 40 FDAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1C(F)(F)F 6586882 XEAFGNSXIAJJAL-UHFFFAOYSA-N 372.332 1.734 0 40 FDAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)no1 32771297 XFVQVYIRVXTRHV-CQSZACIVSA-N 371.440 1.156 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNn3cnnc3)o2)c1 7602323 JDBPKSRKYSGBJU-UHFFFAOYSA-N 356.338 1.855 0 40 FDAB CCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11904543 JCJOUFUXQRYETD-UHFFFAOYSA-N 360.457 1.140 0 40 FDAB Cc1c(Cl)cccc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 10111396 ULQRVGCPTYDFJV-UHFFFAOYSA-N 361.895 1.482 0 40 FDAB NC(=O)C1CCN(c2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)CC1 20673057 PWRRQMPKYDSGTB-ZDUSSCGKSA-N 366.421 1.797 0 40 FDAB O=S1(=O)N=C(NCc2ccccc2CN2CCOCC2)c2ccccc21 22393821 KALUCOMDNADOCC-UHFFFAOYSA-N 371.462 1.758 0 40 FDAB CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc2nnnn2n1 53583729 GLKGJZXOCDNCNQ-SNVBAGLBSA-N 368.319 1.414 0 40 FDAB Cc1cc(CN2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)no1 22798749 HWWIQIKAMLTIRM-UHFFFAOYSA-N 372.425 1.146 0 40 FDAB O=C(c1ccccc1-n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 12321441 MOQBEFNNISVJRK-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB Cn1c(Br)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 1065600 AHCPQKBIDHCVSJ-UHFFFAOYSA-N 367.178 1.384 0 40 FDAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCNC(C)=O)nc1 24014426 PGCGVWJXDXYVSI-UHFFFAOYSA-N 362.455 1.845 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(Cl)cn1C 24605882 YLUKXZMHINPUFJ-UHFFFAOYSA-N 355.847 1.658 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc21 43271742 WVZUMDHMPVNRFV-CQSZACIVSA-N 355.398 1.354 0 40 FDAB C[C@H]1C[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626946 ASEHECICOLPMQJ-XJKSGUPXSA-N 352.456 1.121 0 40 FDAB CN(CCNC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccccc1 10100224 ROMYQGCYPRNCAK-UHFFFAOYSA-N 366.421 1.605 0 40 FDAB O=C(CCNC(=O)c1cc(Cl)c2c(c1)OCO2)NCc1cccnc1 58190863 FBCZOEJJZABTOA-UHFFFAOYSA-N 361.785 1.900 0 40 FDAB Cc1nc(N2CCN(C(=O)Cc3ccccc3F)CC2)c2cnn(C)c2n1 58311046 DSNHMMYGQYAQQH-UHFFFAOYSA-N 368.416 1.702 0 40 FDAB CC[C@H](C)Oc1cccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 58357929 CNQCXFNNUBYJHY-DZGCQCFKSA-N 354.472 1.921 0 40 FDAB COc1cccc(CC(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 48367852 AYUMEBUVWXSGSC-UHFFFAOYSA-N 374.462 1.995 0 40 FDAB C[C@H](C(=O)NC(N)=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3410944 BZPSNLUQBNCPGD-GFCCVEGCSA-N 366.377 1.065 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC(C)CC1 12986679 CATIYNXGGWWZAI-MRXNPFEDSA-N 351.472 1.136 0 40 FDAB CC(C)N(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C(C)C 13038887 GGEKRUVJGYAHBD-IBGZPJMESA-N 359.426 1.862 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCSCc1ccco1 13121558 GZWAIPJKSKDBHX-GJZGRUSLSA-N 362.451 1.970 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8327339 IEOLKBUEELKMFN-UHFFFAOYSA-N 359.382 1.238 0 40 FDAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 6065048 AYXCKVWBNYRDJU-VUUYWXRKSA-N 357.815 1.200 0 40 FDAB CCCCNc1ccccc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 4247565 NEEOGUOWXUGJOW-ZDUSSCGKSA-N 368.455 1.359 0 40 FDAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 4249423 BUBWWOBDMOFBJK-NSHDSACASA-N 355.398 1.230 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 14513102 BTOUQGMUTRLRNT-LBPRGKRZSA-N 364.427 1.351 0 40 FDAB Cc1nc2sc(C(=O)OCC(=O)N[C@H](C)C(C)C)c(C)c2c(=O)[nH]1 8752463 CLKPQQYJJOLFAD-SECBINFHSA-N 351.428 1.919 0 40 FDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2 7046626 CJDIBSSFBPYYQJ-UHFFFAOYSA-N 358.394 1.741 0 40 FDAB CCOC(=O)N[C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)ncn2)C1 95389723 ILDQVXXZJAUCAD-GJZGRUSLSA-N 363.462 1.400 0 40 FDAB Cc1nc2c(c(C)c1CCC(=O)N1CCc3cnccc31)c(=O)[nH]n2C 73799366 YXKTVFRFRHERIC-UHFFFAOYSA-N 351.410 1.795 0 40 FDAB O=C(NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cnccn1 75092683 SGDPVXUHRPSOQM-GFCCVEGCSA-N 355.316 1.956 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306137402 QVHCXLLKBDLDEO-CQSZACIVSA-N 368.437 1.994 0 40 FDAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496721 DUINZXKAQATRPL-ZDUSSCGKSA-N 356.444 1.910 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 306132360 LGHXIMVLEWVUPW-ROUUACIJSA-N 365.499 1.677 0 40 FDAB COCC(=O)N1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72358765 ROIMRAOSNPXAOR-HNNXBMFYSA-N 354.410 1.595 0 40 FDAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 30880282 QYAZTBJIZAOHEN-ULQDDVLXSA-N 373.563 1.458 0 40 FDAB biogenic,in-vitro CN(C)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(Cl)c2Cl)c1=O 222668346 DNVWXEVMRIXLEH-UHFFFAOYSA-N 358.181 1.592 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1 195549638 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XAOFLIPGBSVUJV-DZGCQCFKSA-N 370.482 1.344 0 40 FDAB Cc1ccc2nc3sc(C(=O)N4CCC(C(N)=O)CC4)cc3c(=O)n2c1 17122377 HWPLLBNMTXYLFH-UHFFFAOYSA-N 370.434 1.555 0 40 FDAB O=C(COC[C@@H]1CCCO1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347239 PIFLKKRRCKAARO-INIZCTEOSA-N 371.437 1.825 0 40 FDAB CN1CCC(c2ncc3c(n2)CCN(C(=O)[C@@H]2CC(=O)OC2(C)C)C3)CC1 19460479 VJVISVDEUMPIFK-HNNXBMFYSA-N 372.469 1.512 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1c(C)noc1C)CC2 19528303 GKFVOFGAEVAWLM-UHFFFAOYSA-N 369.425 1.889 0 40 FDAB CN1CCc2nc(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)ncc2C1 19590675 JKCMPFLBILFJOT-KRWDZBQOSA-N 374.485 1.366 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 169294057 IUOCSPUKEORDBZ-AXHMDWHKSA-N 368.389 1.970 0 40 FDAB C[C@H](O)c1ccc(C2(CNC(=O)CN3C(=O)CCC3=O)CCCC2)s1 225680976 FXDGSDVTHUZEQM-LBPRGKRZSA-N 364.467 1.878 0 40 FDAB N[C@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 16900003 WEKRWNXUMVTXMR-VXNVDRBHSA-N 363.222 1.770 0 40 FDAB CCn1c(CCNC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)nc2ccccc21 591937433 WIGRTPFMAKFMOW-KBPBESRZSA-N 374.441 1.164 0 40 FDAB Cc1cc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)no1 1888929981 DWBPWDKWEWHEAA-OKILXGFUSA-N 372.450 1.496 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888982165 CQOIUHMNFIVKGM-INIZCTEOSA-N 370.434 1.400 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037839946 GFYQCINEMRJXQV-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB O=C(CC1(O)CCC1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 2056214955 MWCGQYREJJZBQZ-UHFFFAOYSA-N 373.497 1.828 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3C2)cn1 2056224044 BIPWUFXRLHYSEY-HOTGVXAUSA-N 374.466 1.581 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1cc(C)[nH]n1)CCO2 2056225655 WVUQDDLBZUZESP-WMZOPIPTSA-N 350.463 1.383 0 40 FDAB COc1cnccc1C(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565555520 JNFKSKUTXHZUAY-MAUKXSAKSA-N 357.410 1.656 0 40 FDAB Cn1ccc(N2CCC3(CCN(C(=O)CCc4ccc[nH]4)CC3)C2=O)n1 1565545143 DPSGLZDKFZWKCK-UHFFFAOYSA-N 355.442 1.727 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 1565551147 KBJSQAAHNVXMFS-MRXNPFEDSA-N 370.496 1.528 0 40 FDAB Cc1nc(C(=O)N2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cs1 1565556550 VMYNUOYYZIQVHI-ZYHUDNBSSA-N 372.454 1.195 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734513 FMERUXAHHHCZLS-UHFFFAOYSA-N 371.478 1.900 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2C)CC1 2055713200 DSGNTONOVNQNRD-UHFFFAOYSA-N 356.470 1.945 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 2055793324 PHZZQWOMZQDPET-OAHLLOKOSA-N 369.487 1.037 0 40 FDAB O=C(Cn1ccccc1=O)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 2055835087 WKKCYCGFBZEPNH-KUHUBIRLSA-N 373.384 1.221 0 40 FDAB CC[C@@H](C)NC(=O)Cn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O 38487758 XTRMVWBWEGBNGW-SNVBAGLBSA-N 358.398 1.810 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1C(=O)O 226858393 IPHGDEJHWVBOKT-UHFFFAOYSA-N 351.336 1.898 0 40 FDAB CS(=O)(=O)CCN1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 72256481 DZWNHVSENNUJHO-VOTSOKGWSA-N 356.875 1.542 0 40 FDAB Cc1ccc(-c2noc(CN3CCN(C(=O)Cn4cccn4)CC3)n2)cc1 40039627 RSNAUDXYRMWDAM-UHFFFAOYSA-N 366.425 1.586 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 40082115 DJXKXWSVBQYKBY-UHFFFAOYSA-N 371.459 1.051 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@@H](NC(N)=O)c1ccccc1 40062272 SQSQZCMDTMMSCV-KGLIPLIRSA-N 365.455 1.293 0 40 FDAB CCN([C@@H](C)COC)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 40152900 ZNOGKDHTGXLTLL-VIFPVBQESA-N 362.835 1.716 0 40 FDAB CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100913767 FGHKLDLTUGNPQT-GXSJLCMTSA-N 367.155 1.256 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)s1 32469303 IHTVTCMIVMPVSE-LBPRGKRZSA-N 358.485 1.574 0 40 FDAB Cc1ccccc1OCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 6078739 NWRXGZDSFIRHIW-UHFFFAOYSA-N 362.451 1.770 0 40 FDAB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1 41181978 RVUQIOWAVVHYDH-UHFFFAOYSA-N 374.374 1.704 0 40 FDAB O=C(C[S@](=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 32801469 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43282325 VJBYFRDKVCZCBC-UKRRQHHQSA-N 370.409 1.815 0 40 FDAB CC(=O)c1sc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1C 28248076 NYKLAIMHORRUFW-UHFFFAOYSA-N 356.381 1.859 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2Cl)CC1 26310929 AOUOFGNRCNDCLU-UHFFFAOYSA-N 359.879 1.953 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1OC 108360485 LDOFWIFBSXOXNO-KGLIPLIRSA-N 372.487 1.088 0 40 FDAB CN(Cc1ccsc1)C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 27551306 HSJQVCWMCIJKEC-UHFFFAOYSA-N 365.480 1.417 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N(C)Cc3cccc(F)c3)nn12 12848199 UGMKAFUESJZDCC-GFCCVEGCSA-N 371.372 1.776 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(Nc2ccccc2)=N1 9192432 ZUDYZZBYQLSDEQ-AWEZNQCLSA-N 366.377 1.753 0 40 FDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 71328958 AFFPRSMUTUKSSS-QGZVFWFLSA-N 372.469 1.814 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(C(=O)O)cs1 13311471 WYZWSFKXYCMEGY-UHFFFAOYSA-N 355.393 1.996 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1 49551897 HSHIKLPNQOQVCT-UHFFFAOYSA-N 357.389 1.691 0 40 FDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCn3nccc3C)cc2)o1 49549824 HUIQVCZJFIQGMR-UHFFFAOYSA-N 354.370 1.305 0 40 FDAB COc1ccc(OCCOC(=O)CN2C(=O)c3ccccc3C2=O)cc1 6354119 WUPOHTVGHVMDCP-UHFFFAOYSA-N 355.346 1.913 0 40 FDAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C2=COCCO2)cc1 14095142 RYBKWMYETZFEKY-UHFFFAOYSA-N 354.428 1.934 0 40 FDAB CS[C@]1(CO)C(=O)N(C)[C@](Cc2ccccc2)(SC)C(=O)N1C 5966028 WXIJHVRXTHDGKV-HZPDHXFCSA-N 354.497 1.270 0 40 FDAB biogenic,in-vitro Cc1ccc(N2C(SCC(=O)N(C)C)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 8993478 BXCWPYQCTBCPQQ-UONOGXRCSA-N 367.496 1.158 0 40 FDAB COc1ccc(Br)cc1CN(C)CC(=O)N1CCNC1=O 8982607 BVQTXHLKJLASHV-UHFFFAOYSA-N 356.220 1.441 0 40 FDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060079 GSHGTAXGZYYHEC-KGLIPLIRSA-N 357.462 1.170 0 40 FDAB O=C(NCCSCc1ccnc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 96004142 GAWQBLJMHHXEAT-NSHDSACASA-N 363.892 1.455 0 40 FDAB COc1ccc(-c2nc([C@@H]3CN(S(=O)(=O)C4CC4)CCO3)no2)cc1 96000546 LRHBTRDGCIMXLK-AWEZNQCLSA-N 365.411 1.611 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9419339 KWAZDZBUNVTKHC-GXTWGEPZSA-N 368.480 1.236 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccccc1 97412255 JOKHLYOQUZLXHA-IYBDPMFKSA-N 372.421 1.411 0 40 FDAB COC(=O)N[C@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)C(C)C 88213883 OAYCOLUURHVBPP-JTQLQIEISA-N 360.208 1.467 0 40 FDAB CC(C)CC(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306141256 VPYWBTXFMGLJAX-AWEZNQCLSA-N 352.456 1.522 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)nc2n1 26409136 VMZQIVNHMXIPRG-UHFFFAOYSA-N 372.816 1.554 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@@H](O)c2ccccc2)CC1 30002892 MCAOWMVVBNDNHX-QGZVFWFLSA-N 354.406 1.907 0 40 FDAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F 31810369 FZUYCEXJMDRUAM-MRXNPFEDSA-N 364.352 1.908 0 40 FDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c(C)c1 36407974 CMTGZWAOKYDTTE-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB COc1cc(C[C@@]2(c3ccccc3)NC(N)=NC2=O)cc(OC)c1OC 71975758 YERGWZYVHORXJY-IBGZPJMESA-N 355.394 1.595 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1ccccc1F 72401819 SDKVRLHTCBTCSS-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 48287264 REJRQBBDNAZXOY-UHFFFAOYSA-N 369.425 1.599 0 40 FDAB COc1ccc([C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(=O)O)cc1Cl 563820089 CCPKVVOZBHNBBL-RYUDHWBXSA-N 361.803 1.168 0 40 FDAB Cc1cc(SCC(=O)O)nc(CN(C)S(=O)(=O)c2ccccc2)n1 49468969 QAEAFKYYYJTQFA-UHFFFAOYSA-N 367.452 1.782 0 40 FDAB C[C@H](NC(=O)c1ncn(C)n1)c1ccc(NC(=O)c2ccncc2)cc1 568335576 BMUUFAAFFSYDLA-LBPRGKRZSA-N 350.382 1.953 0 40 FDAB C[C@H](CCc1ccco1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 48276032 NCILBXIGSUOVNN-CYBMUJFWSA-N 350.440 1.997 0 40 FDAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3ncn[nH]3)CC2)n[nH]c1=O 225549904 IGWDBLYWRYWNFR-UHFFFAOYSA-N 367.413 1.082 0 40 FDAB CC(C)[C@@H](C(=O)NCCc1nccs1)n1nnc2ccccc2c1=O 95479003 FDIZRFFQZUFPFM-HNNXBMFYSA-N 357.439 1.804 0 40 FDAB C1CN(c2nc3c(c(NC4CC4)n2)CN(C[C@H]2CCOC2)CC3)CCO1 96254154 WJNAXRXYKBUMDR-CQSZACIVSA-N 359.474 1.282 0 40 FDAB CN(C)C1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)CC1 96091454 DUJNQFRBMQGEDO-UHFFFAOYSA-N 362.499 1.999 0 40 FDAB O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(C4CCOCC4)C3)N2C1 514288474 BBZLYBZQZIZCIO-NHCUHLMSSA-N 371.525 1.213 0 40 FDAB biogenic,in-vitro CCN1[C@H]2CCN(CCOC)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263898 OIKWNZSATZTIGU-GJZGRUSLSA-N 354.472 1.569 0 40 FDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 230487102 KRDFPENFDWKNCS-GZBFAFLISA-N 364.442 1.580 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1 249694012 OQPJQKGTSVIMRE-LJQANCHMSA-N 371.485 1.728 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 247862046 WIASIFQIDBYPSC-AWEZNQCLSA-N 366.824 1.995 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)CC1 243668436 PCNNTKSIYYSLST-UHFFFAOYSA-N 351.472 1.249 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 247360659 ZIFAIFAQKNMFGL-AWEZNQCLSA-N 350.444 1.505 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 247955380 SHEDVXCOPDOLID-FCBIJRMHSA-N 368.433 1.737 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 257242329 IBYFZYBEQXWRJT-SNVBAGLBSA-N 368.484 1.381 0 40 FDAB O=C(CCc1nc(-c2ncccn2)no1)N[C@H](C(=O)O)C1CCCCC1 621585268 XALMCNWTFWUGMU-AWEZNQCLSA-N 359.386 1.609 0 40 FDAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N[C@@H](CO)c3ncc[nH]3)c2)C1=O 1672351041 CQBJTNDYNSJYHQ-STQMWFEESA-N 372.385 1.100 0 40 FDAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423791 RFJCWXDLBOQVIR-JKSUJKDBSA-N 369.464 1.008 0 40 FDAB O=C1CC[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@]2(O)[C@@H](O)CC3=O 575449029 IBJQWUOEZZLWJA-PGASGAKPSA-N 352.342 1.973 0 40 FDAB in-vitro CO[C@]1(CCC(N)=O)CCCN(C(=O)COc2ccccc2Cl)C1 585278110 LUSUFXLWJLJGGN-KRWDZBQOSA-N 354.834 1.992 0 40 FDAB C[C@H]1c2ncc(CCOc3ccccn3)n2CCN1C(=O)C1CC(O)C1 585097892 OTEUBBNKLCJMTO-HLIUYOAVSA-N 356.426 1.574 0 40 FDAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 585283850 IEGAPXWXMKFUKK-AZUAARDMSA-N 358.413 1.553 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CCC[C@H]1CO)C2 585105147 ZOVURXNGYMSIRJ-HKUYNNGSSA-N 374.481 1.860 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC[C@]2(CCCN2CC(=O)N(C)C)CC1 585100505 LNKUZPZYRAYIFD-IBGZPJMESA-N 362.474 1.840 0 40 FDAB C[C@@H]1CN(C)CCN1CC1CCN(S(=O)(=O)c2ccccc2)CC1 85468280 KDCOXQPMYFXHCP-MRXNPFEDSA-N 351.516 1.723 0 40 FDAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)nn1 577820397 SXIZQLQMHZCUNJ-RKDXNWHRSA-N 366.365 1.973 0 40 FDAB CN(C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)C1CCCCC1 12144566 PUHFFBHYZYHVKC-UHFFFAOYSA-N 373.501 1.519 0 40 FDAB CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nn1cnnc1 14405979 DYHMMQALVISSOP-UHFFFAOYSA-N 364.365 1.873 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 14701805 CELRUZRODFXAGZ-UHFFFAOYSA-N 360.414 1.124 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 14853790 KFYOIYHEIKBPFG-UHFFFAOYSA-N 369.429 1.250 0 40 FDAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C2CC2)CCO1 19331735 RITCOVHPUJHGBI-OAQYLSRUSA-N 365.433 1.784 0 40 FDAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cnc(N(C)C)nc1 19451126 SLHZDPQGKNTYQY-MRXNPFEDSA-N 370.457 1.431 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2cc(C)n(C)n2)[C@@H](C)C1=O 19658758 RGZWXRBMASWVEZ-AWEZNQCLSA-N 371.441 1.413 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225443347 UMEIMFMIYJIZOK-AWEZNQCLSA-N 359.430 1.760 0 40 FDAB CO[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@H]1c1cnn[nH]1 622169962 FTOSEFVOUJCERB-TVQRCGJNSA-N 350.762 1.441 0 40 FDAB O=C(CC1CCNCC1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 643585150 MIBXNNURULVFFX-LSBZLQRGSA-N 350.434 1.850 0 40 FDAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O 8769394 DTDZOCOICWIIIK-UHFFFAOYSA-N 371.846 1.435 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCOCC1 36079028 JQEUWBFCMVSLTJ-ZDUSSCGKSA-N 355.416 1.236 0 40 FDAB CCc1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(C2CC2)n1 1888913264 PAXSMROBSASDOD-UHFFFAOYSA-N 350.430 1.909 0 40 FDAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 1889085901 LMFTTZZVMFIDDM-VIFPVBQESA-N 356.352 1.884 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 28325079 LQTKRXZBCOWBKP-AWEZNQCLSA-N 362.407 1.225 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)c1cccnc1O[C@@H]1CCOC1 240002212 PPCZQYTVWFJEBT-GFCCVEGCSA-N 351.403 1.504 0 40 FDAB CC1=NN(Cc2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148010 BYQSOLQVEKRBCG-LLVKDONJSA-N 370.388 1.530 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)CCN(c2ncccn2)C3)n[nH]1 2055798631 HBIDVVZBYVHPBV-UHFFFAOYSA-N 354.414 1.535 0 40 FDAB COc1ccc(CC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 23127807 HKIJBYFXWAVJSE-LJQANCHMSA-N 368.433 1.954 0 40 FDAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1 27204958 ZGGHEWQHNZUJJL-INIZCTEOSA-N 350.440 1.461 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1C[C@H](C)O[C@H](C)C1 40039240 RYTIKWKBXSPLDQ-DTORHVGOSA-N 371.363 1.938 0 40 FDAB CCN(CC)C(=O)CSCC(=O)OCC(=O)Nc1ccccc1F 2625788 HSAVLRTYURPHJF-UHFFFAOYSA-N 356.419 1.909 0 40 FDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCOCC1 2635222 NEBHQSLMIIESJO-UHFFFAOYSA-N 350.396 1.231 0 40 FDAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1 3354889 BBLHPUVBBRGMRK-UHFFFAOYSA-N 374.451 1.768 0 40 FDAB O=C(CN1CCC(N2CCCCC2)CC1)N1CCC2(CC1)OCCO2 4401531 SPNITNZWOXTJJF-UHFFFAOYSA-N 351.491 1.302 0 40 FDAB CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 6848214 LMWJTRIQPJMZJV-UHFFFAOYSA-N 360.501 1.350 0 40 FDAB COc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3cc(C)ccc32)cc1 21721062 SNKDRLPDHOBPMV-INIZCTEOSA-N 362.407 1.445 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1ccccc1 102086219 RSCGGEJUXVCNAR-AUTURXRWSA-N 350.418 1.746 0 40 FDAB COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22624416 HNRICWQAVRLHFQ-OAHLLOKOSA-N 368.499 1.945 0 40 FDAB CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 53705778 CGGNKTQNFGUAGY-OAHLLOKOSA-N 364.401 1.900 0 40 FDAB CC(C)(C)CC(=O)NCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 53811236 HABIIRNFBPZJFQ-UHFFFAOYSA-N 360.458 1.355 0 40 FDAB Cc1ccc(-c2noc(CCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)cc1 58245589 QXKIHXDTWZJCSG-KRWDZBQOSA-N 363.439 1.671 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H]1CCCO1 23199906 JVLXBHXKYDXQMV-NSHDSACASA-N 371.363 1.988 0 40 FDAB CCc1ccc(-c2noc(CN3CCN(CC(=O)NC4CC4)CC3)n2)cc1 23254050 ANBMHGIIXOBAQP-UHFFFAOYSA-N 369.469 1.695 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 54530932 CFTHIVGSIZXSTJ-UHFFFAOYSA-N 355.398 1.024 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 24959506 XZHFGNMDLIECLH-CQSZACIVSA-N 368.389 1.504 0 40 FDAB CN(C(=O)CN1CCCc2cc(F)cc(F)c21)[C@H]1CCS(=O)(=O)C1 26726192 JQINEMFTDKCWBS-ZDUSSCGKSA-N 358.410 1.363 0 40 FDAB COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 113936571 SFWMMOPBWVGWSB-UHFFFAOYSA-N 363.439 1.947 0 40 FDAB NC(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)nc1 108454052 WTQHLGFCGHDCTC-QGZVFWFLSA-N 357.385 1.905 0 40 FDAB Cc1ccc(S(=O)(=O)NCCCO)cc1C(=O)NC1CCCCC1 408551368 KLDVJGFIJJTHOS-UHFFFAOYSA-N 354.472 1.718 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4ccoc4)C[C@@H]3S2(=O)=O)cs1 306130731 JODZAOQKWOMUBX-OCCSQVGLSA-N 367.452 1.331 0 40 FDAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36359332 DEVVBVUHCZQJPT-MRXNPFEDSA-N 359.382 1.166 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c(F)c1 11008923 LVWUCFUPMVGZME-UHFFFAOYSA-N 360.389 1.285 0 40 FDAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)o1 58987835 YZODUFMLAHQXKA-ZDUSSCGKSA-N 364.423 1.783 0 40 FDAB CCc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(C)cc1 12972941 YXMHCLYTZNISTL-AWEZNQCLSA-N 361.467 1.908 0 40 FDAB COc1cc(C(=O)Nc2ccccc2C(=O)O)cc(OC)c1OCC(N)=O 12990954 XYZCDWXZPQPRFR-UHFFFAOYSA-N 374.349 1.518 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(Cc2cc(C)nn2C)C3)nc1 306141609 WCAYJVHVKFBWNS-INIZCTEOSA-N 356.474 1.920 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)[C@H]3CC=CC[C@@H]3C1=O)CC2 5067488 RWZDYYWXIYPIMN-HOTGVXAUSA-N 356.422 1.971 0 40 FDAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 4249295 SSYXTPXVWZWGQW-CQSZACIVSA-N 367.453 1.963 0 40 FDAB COc1cccc(NC2=C(Cl)C(=O)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 4371864 QZWCKEMQMSHQNA-SNVBAGLBSA-N 370.814 1.113 0 40 FDAB CCNC(=O)CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1 13986997 XREZZMDLAOVRMC-UHFFFAOYSA-N 362.455 1.845 0 40 FDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CC1 6461493 GQBJLKKHMUKWOM-LBPRGKRZSA-N 366.439 1.295 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)OCn1nnc2ccccc2c1=O 6553528 AFMGDDXTRVIWGJ-UHFFFAOYSA-N 373.390 1.400 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1cn3ccsc3n1)C2=O 8710003 TXSOWUPYDQJIOW-UHFFFAOYSA-N 361.427 1.470 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1cc(OC)ccc1O)c1ccccc1 8734623 JMHXHBJVCCMWRP-OAHLLOKOSA-N 358.350 1.755 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1N1CCOCC1 7460764 XVXHRKJZEHMTBY-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1 89904582 KRBXUQNHRDMXHV-XHDPSFHLSA-N 372.487 1.845 0 40 FDAB O=S(=O)(c1ccccn1)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000533 RDTFJLBTOKNPTA-AWEZNQCLSA-N 372.406 1.894 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-n2cnnn2)cc1 9460351 DYFFHRBMRGBZQX-INIZCTEOSA-N 352.398 1.822 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 84405182 WQWTWMJZRWJBMQ-CZUORRHYSA-N 352.456 1.643 0 40 FDAB COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C)cc(=O)c1O 95480933 NVALXCMMCJXCOQ-GFCCVEGCSA-N 372.377 1.539 0 40 FDAB O=C(NC1(C(=O)O)CC1)c1cn(-c2cccc(Br)c2)nn1 95989664 VFXKHPCLPQVGGK-UHFFFAOYSA-N 351.160 1.377 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 9913429 DWSPZWYWNHFDGB-UHFFFAOYSA-N 360.435 1.847 0 40 FDAB CC(C)c1noc(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)n1 68162997 OVPCCLHWYZNRIO-UHFFFAOYSA-N 356.382 1.538 0 40 FDAB CC(C)n1cc(CN2Cc3ccnn3[C@@H](COCC(=O)N(C)C)C2)cn1 306128263 GVQKEIDDAXNXBQ-QGZVFWFLSA-N 360.462 1.322 0 40 FDAB COc1ccccc1OC[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 70666351 XFWORLURTVWJAV-BBWFWOEESA-N 370.449 1.716 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)s1 217615581 FXZRLRZATLUAKM-UHFFFAOYSA-N 366.468 1.388 0 40 FDAB O=C(CCCc1ccc2c(c1)CC(=O)N2)NCCNC(=O)c1cccnc1 78499013 TWTLGGLTUFMYBJ-UHFFFAOYSA-N 366.421 1.445 0 40 FDAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c1 72264742 CJTHXHXDLNZWCS-UHFFFAOYSA-N 373.434 1.756 0 40 FDAB O=C1[C@H](N2CCn3c(nnc3-c3ccccc3)C2)CCN1CC(F)(F)F 76183976 CPWDZYVPPORRIH-CYBMUJFWSA-N 365.359 1.924 0 40 FDAB CC(=O)N[C@H]1[C@@H](Oc2ccccc2Cl)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 33767024 YPELKAVYIVSDQP-SUJAAXHWSA-N 371.817 1.461 0 40 FDAB O=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)co1)c1ccccc1 70844806 KNKTZOFGAVTLMO-UHFFFAOYSA-N 357.366 1.906 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NCCSC1CCOCC1 238978016 ZYVSLOYIWKNNEA-UHFFFAOYSA-N 361.467 1.815 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225201937 NNTALDAKYYNKJA-AWEZNQCLSA-N 369.487 1.014 0 40 FDAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCS(C)(=O)=O)C1=O 48342909 HOWLVHPYROBCPA-ZDUSSCGKSA-N 365.238 1.805 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)C1CCCCC1 226040840 UENBIFMTXNXHHZ-UHFFFAOYSA-N 367.471 1.247 0 40 FDAB Cc1cnc(N2CCOC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)nc1 96078300 VPZOUGKTRPJZLP-LJQANCHMSA-N 354.410 1.424 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)o1 96062376 FPNMPPPKHFSZTP-IBGZPJMESA-N 358.442 1.686 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]21 96066391 YURSJTGFWXIZCM-BZUAXINKSA-N 357.389 1.881 0 40 FDAB COCc1nc([C@H]2COCCN2C(=O)[C@H]2CCCc3c(O)cccc32)no1 330012563 KTMDLDUBRNYZTR-LSDHHAIUSA-N 373.409 1.942 0 40 FDAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)Cc4ccccc4)C3)C2)CC1 96228470 MFSVLOWSCXGOAV-UNMCSNQZSA-N 371.525 1.874 0 40 FDAB c1ccc(CN2CCOC[C@]3(C[C@H](CNc4cnccn4)CO3)C2)nc1 96078488 RMDNHENRBJIFNW-APWZRJJASA-N 355.442 1.591 0 40 FDAB O=C1CCCN1C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247812736 BJPPNQBKMLLUPZ-MRXNPFEDSA-N 368.437 1.866 0 40 FDAB CN(C)c1cc(N2CC3(CC[C@@H](CNC(=O)CC4CC4)CO3)C2)ncn1 248100775 HLNFOUNGNZFMKK-HNNXBMFYSA-N 359.474 1.444 0 40 FDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2CC(=O)N(C)C)n1 257210442 BUQFMZYGUDGJSP-HNNXBMFYSA-N 355.446 1.934 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 257324237 WNTVDESVFXCBLQ-MRXNPFEDSA-N 360.435 1.598 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2ccnn2C)c1 257219582 DHHZKGHENGPRIK-UHFFFAOYSA-N 352.398 1.172 0 40 FDAB COc1cc(CCC(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)on1 257293368 QPEOJXRCWTWJFJ-HUUCEWRRSA-N 350.346 1.406 0 40 FDAB COc1cccc(Cc2cncc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2)c1 257233461 GPJDXUXPODYVPI-IBGZPJMESA-N 374.462 1.988 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257254942 KFKAHATYGSQRGK-KRWDZBQOSA-N 354.410 1.394 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN([C@@H](C(=O)O)C3CC3)CC2)cc1 635014994 BAFUGGLCRJYSPY-MRXNPFEDSA-N 368.455 1.255 0 40 FDAB Cc1noc(CN2CCCC[C@@H](NC(=O)Cc3ccccc3C)C2=O)n1 643928027 UFBSWTBPXMMSJG-MRXNPFEDSA-N 356.426 1.926 0 40 FDAB COc1ccc(CC(=O)N2CCO[C@H]3CCOC[C@H]32)cc1OC(F)F 606446205 FSVYBBFLWYAEBR-OLZOCXBDSA-N 357.353 1.855 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)Cc2c(F)cccc2Cl)CC1 96120338 OCTWFVVXKDEQGH-UHFFFAOYSA-N 362.854 1.809 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575405697 UGKQWWHWBDWZDQ-CYBMUJFWSA-N 356.382 1.795 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(Oc2nncs2)CC1 827913390 FDZMTTKHXLBYDO-UHFFFAOYSA-N 371.422 1.318 0 40 FDAB Cc1ccccc1C[S@@](=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 58196489 BKPVOKIWXGWPRR-SANMLTNESA-N 374.462 1.821 0 40 FDAB COc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1F 56058909 OMIFYICYPPEUFX-UHFFFAOYSA-N 366.418 1.572 0 40 FDAB CC1(N2CCOCC2)CCC(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 1551289677 TWWKYDXQGNPPFK-KOHRHEQBSA-N 361.490 1.600 0 40 FDAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 75107866 FQJIXWFCIKNDMQ-CQSZACIVSA-N 359.430 1.831 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccccc2Br)C1 644000489 MLLSGEBQYXBIFV-HNNXBMFYSA-N 355.232 1.221 0 40 FDAB Cc1nc2cc([C@@H]3CCCN3C(=O)CN3CCCC3=O)nn2c(O)c1C 12336983 AOIKSEUQRAHJKU-AWEZNQCLSA-N 357.414 1.338 0 40 FDAB COC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 13675483 ASVWYFDMJCGFLF-UHFFFAOYSA-N 372.418 1.003 0 40 FDAB CN(C)CCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 13676677 QCZULJGPDBIHJN-UHFFFAOYSA-N 363.483 1.674 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 15814872 YAPZINQKJMPSHJ-JTQLQIEISA-N 362.455 1.357 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16194373 LRFQBTFPZDQSJP-UHFFFAOYSA-N 364.423 1.629 0 40 FDAB Cc1nc([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)ncc1C(N)=O 19758314 NHYIEZIJXFGBJN-GFCCVEGCSA-N 358.373 1.418 0 40 FDAB CC(C)[C@H](C(=O)N(C)Cc1cccc(N(C)C)c1)N1CCCS1(=O)=O 153215870 NYNWUFVBCYTHJZ-QGZVFWFLSA-N 367.515 1.771 0 40 FDAB NC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccccc1 5652064 AXSBSWCSFNSECN-UHFFFAOYSA-N 360.424 1.554 0 40 FDAB COc1nc(N2CCO[C@@H](C(=O)N3CCCC3)C2)ncc1Br 1888853924 XRKLTJIIFMSURF-LLVKDONJSA-N 371.235 1.075 0 40 FDAB Cc1noc(CN2CC[C@@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)n1 1888876271 CFXCPSVMJBTZJH-GFCCVEGCSA-N 361.427 1.033 0 40 FDAB COCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2CCc1ccc(OC)cc1 1775964403 PIDJQNHNNCUFTR-WQANXHIZSA-N 374.481 1.873 0 40 FDAB biogenic,in-vitro O=C1CC[C@@H](c2nc(CNC3CCOCC3)no2)N1Cc1ccncc1 1775963930 KHWYDRNRYCGKBN-HNNXBMFYSA-N 357.414 1.597 0 40 FDAB biogenic,in-vitro Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc4nc[nH]c4c3)C2)ncn1 2037849818 ORKBQACKGSTPBG-IBGZPJMESA-N 366.425 1.423 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(c4ccnc(C)c4)[C@H]3C2)cn1 2056225020 UFUMBFYWFRKRET-IRXDYDNUSA-N 354.410 1.523 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@H]2C1 2086968239 ZQPHZEPSENZPFR-GJZGRUSLSA-N 362.430 1.514 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)n[nH]1 1565555522 JORISBDYOYAWGO-UHFFFAOYSA-N 373.413 1.032 0 40 FDAB O=C1C[C@]2(COCCN(Cc3ccncc3)C2)CN1Cc1cncs1 1565542840 XQKOECHFKFNEKP-GOSISDBHSA-N 358.467 1.789 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1 1565545891 NKFCWJCFBHETCC-CQSZACIVSA-N 369.425 1.180 0 40 FDAB CCc1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138966 OYSXHHXUWTVBKK-UHFFFAOYSA-N 370.434 1.565 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCOCC4)cnc32)c(C)c1 4479248 VVQKDXYPVSAAIQ-UHFFFAOYSA-N 367.409 1.058 0 40 FDAB COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O)cc1 202773229 TVRPTAPOAKAWLX-FZMZJTMJSA-N 366.414 1.720 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 36700543 UYINASPQPVBKLU-UHFFFAOYSA-N 368.397 1.441 0 40 FDAB O=C(O[C@@H]1CCOC1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585396722 ALGYQOTZCZAXDK-IUODEOHRSA-N 357.403 1.913 0 40 FDAB CCC(CC)[C@H](N)[C@H]1[C@H](O)[C@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C 504659602 SECXLAHYOAZIGA-NIFZNCRKSA-N 358.479 1.813 0 40 FDAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1nnnn1-c1ccccc1 40089686 OGYUUDGTNXXKLT-AAEUAGOBSA-N 358.431 1.681 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2NC1=O 32772961 LKSJVFZQZTURDC-MRVPVSSYSA-N 358.379 1.321 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccnc1-n1cccn1 102336515 RPUMNMVNYMWCAF-LBPRGKRZSA-N 353.348 1.881 0 40 FDAB O=C(NCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 7899699 LGQPJSVVRMZARZ-UHFFFAOYSA-N 357.435 1.463 0 40 FDAB C[C@H](Sc1nc2ccccc2o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8704565 KRTQMTHJORHXAT-QMMMGPOBSA-N 360.395 1.171 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 100290512 UDICIPZKIVPQEI-GAIWEEKLSA-N 350.418 1.987 0 40 FDAB COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccs2)c(=O)n1C 9417719 JPPPTHHBDUQGIZ-KUHAVHCNSA-N 372.471 1.765 0 40 FDAB O=C(CN[C@@H](c1ccccc1)c1ccccn1)N[C@@H]1CCS(=O)(=O)C1 96791943 KQOZAYADMGCFKJ-QAPCUYQASA-N 359.451 1.064 0 40 FDAB COCCNC(=O)NC(=O)CN1CCCc2ccc(C(F)(F)F)cc21 12542071 VGKCOSMOWWOYMR-UHFFFAOYSA-N 359.348 1.930 0 40 FDAB COc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 20106985 YJPLQLQPJQRDAD-UHFFFAOYSA-N 369.487 1.172 0 40 FDAB Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1cc(Cl)ccc1Cl 1393681 DIKUEUICGCHBOY-UHFFFAOYSA-N 365.238 1.574 0 40 FDAB O=C(NCc1cccnc1)c1sccc1S(=O)(=O)N1CCCC1 55473483 YFBNODBKCPCGHH-UHFFFAOYSA-N 351.453 1.858 0 40 FDAB Cc1ccc(N([C@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1C 10111441 AVNCSHCNQXDXAU-OAHLLOKOSA-N 355.504 1.526 0 40 FDAB Cc1noc(COC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 25448099 HSVKWIZFCPPEGU-SFHVURJKSA-N 370.365 1.205 0 40 FDAB Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)N2CCCC2)CC1 44782287 LYUMCLSRERTDMB-UHFFFAOYSA-N 361.471 1.401 0 40 FDAB CCC(CC)C(=O)N1CCC(NC(=O)NCC(=O)N2CCCC2)CC1 58172911 ZCTLMMWKRCCMHF-UHFFFAOYSA-N 352.479 1.335 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 10510425 LQVOGRFHEIARQH-UHFFFAOYSA-N 364.471 1.859 0 40 FDAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 49272131 XPVYWJJRRDFXNC-UHFFFAOYSA-N 356.382 1.703 0 40 FDAB CCc1nnc(NC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)s1 5157994 LVYOPHHQUHRALF-UHFFFAOYSA-N 362.411 1.864 0 40 FDAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 4423797 XEZALSDKKABRTC-XPTSAGLGSA-N 356.165 1.374 0 40 FDAB CCN1C[C@H](CN(C)C(=O)c2nc3nccc(C)n3n2)Oc2ccccc21 65529770 CLXCYNPXCUCDMY-AWEZNQCLSA-N 366.425 1.792 0 40 FDAB CC(=O)N1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)Oc2ccccc21 14117178 QPLYRZZLQZYKAW-GOSISDBHSA-N 366.421 1.544 0 40 FDAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccccc1 4555283 RLBVWPPIANPUMQ-INIZCTEOSA-N 366.373 1.606 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)cc1)n2CCOC 8745794 CDIPUJFIDCSKLI-UHFFFAOYSA-N 358.398 1.618 0 40 FDAB CC(C)CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 14680432 CQIUCDJKFQZNIS-AWEZNQCLSA-N 371.503 1.601 0 40 FDAB CCOc1ccc(N2C(=O)C[C@@H](NNc3nc(C)cc(C)n3)C2=O)cc1 4738680 PODJHVRJZJWYDX-OAHLLOKOSA-N 355.398 1.741 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 7296348 LACJCYQZKBPTRQ-BUXKBTBVSA-N 373.409 1.586 0 40 FDAB Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCC(=O)N(C3CCCC3)C1)C2 91321208 PJOZFENIXDDXCG-ZDUSSCGKSA-N 358.442 1.112 0 40 FDAB CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)CC1 96952738 LUQWZFIOUMRXPU-UHFFFAOYSA-N 358.467 1.598 0 40 FDAB O=C(NCCCc1nnc2ccccn12)[C@@H]1CCCN(c2ncccn2)C1 79478758 VLIBADMRKZGLPZ-OAHLLOKOSA-N 365.441 1.485 0 40 FDAB COC(=O)[C@@H](NC(=O)c1ccccc1I)C1CC1 72305451 BWJKYTODTDLVNY-NSHDSACASA-N 359.163 1.973 0 40 FDAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCOCC1 72495393 SAKSKSFFDGKBGL-UHFFFAOYSA-N 360.435 1.984 0 40 FDAB O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(N2CCCCC2)c1 95446526 QHXXWRIFDIXNQT-GOSISDBHSA-N 362.474 1.492 0 40 FDAB CCn1cc(Br)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 27971272 ONXSZZDYSGALCI-UHFFFAOYSA-N 373.232 1.565 0 40 FDAB CC[C@H]1CN(C)c2ccccc2CN1CC(=O)NCC(=O)N1CCCC1 88562534 YAQQGOXZNATDQI-KRWDZBQOSA-N 358.486 1.456 0 40 FDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2cscn2)CC1 60494534 RKRPKTJIQBGGMI-UHFFFAOYSA-N 363.468 1.526 0 40 FDAB CN(CCO)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 95950851 DBXHKEVILXOZDE-UHFFFAOYSA-N 350.843 1.556 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1OC 75110539 GNROARBKBHXWQA-STQMWFEESA-N 354.472 1.916 0 40 FDAB CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1527452910 OUHJDXQUHGBIPE-QMCVQRASSA-N 372.531 1.853 0 40 FDAB CN1CCn2c(nnc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1 72372102 NOJRVURAGPQIIQ-UHFFFAOYSA-N 357.433 1.811 0 40 FDAB COC(=O)CC1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 79481492 YWXHFTNPXOCKRX-UHFFFAOYSA-N 363.462 1.815 0 40 FDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)Cc1cccc(F)c1)CC2 72347087 GHLAZCXIASDNNY-UHFFFAOYSA-N 368.412 1.962 0 40 FDAB O=C(CSc1ncccn1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386230 FEROBSIKTQXOFB-AWEZNQCLSA-N 368.418 1.747 0 40 FDAB Cc1cccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)c1C 223419334 PSPVWJSBEDSGFL-UHFFFAOYSA-N 355.504 1.527 0 40 FDAB COc1cccc(-c2c3c(=O)n(-c4ncn[nH]4)ccc3nc3ncnn23)c1 40398277 FELMXTKZNBBXPB-UHFFFAOYSA-N 360.337 1.222 0 40 FDAB CC(C)OCCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223092678 OVSGYQOUFNAVAH-UHFFFAOYSA-N 364.493 1.616 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccn1C)C2 96230433 OWDRSJGKVUGEOJ-HXUWFJFHSA-N 352.438 1.588 0 40 FDAB COC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)N1S(C)(=O)=O 96206797 JUHQFCNTFXCOOM-INIZCTEOSA-N 353.488 1.487 0 40 FDAB CC(=O)NCC(=O)N[C@H]1CC2(CCN(CCN(C)C)CC2)c2ccccc21 96078994 YPSHJVXZMLZQFG-IBGZPJMESA-N 372.513 1.279 0 40 FDAB COc1cc(N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)ncn1 96241354 QNRPHMGCZZJRLK-UHFFFAOYSA-N 374.466 1.803 0 40 FDAB Cn1cc(CN2CCc3c(nnn3C)[C@H]2COCc2ccccc2)cn1 96060521 BVGVMGBKPNIEBR-GOSISDBHSA-N 352.442 1.865 0 40 FDAB Cc1ccsc1C(=O)N1CC2(CC[C@H](CNS(C)(=O)=O)CO2)C1 253599009 YNZBVABYWSXVME-GFCCVEGCSA-N 358.485 1.227 0 40 FDAB COc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)c1 257250520 JMWQIFFOMINFRQ-IBGZPJMESA-N 356.426 1.589 0 40 FDAB O=C(OC[C@H]1CCCCN1C(=O)CCCn1ccnc1)N1CCOCC1 585082545 GTJSLBLWTWEVSF-MRXNPFEDSA-N 364.446 1.513 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCCN3Cc3cnccn3)ccnc12 257297247 RGMXBUYHIUXFDN-INIZCTEOSA-N 365.441 1.948 0 40 FDAB CN(C1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1)S(C)(=O)=O 262594249 IMYXIIPXBDTJGJ-UHFFFAOYSA-N 368.455 1.200 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@H](C)C2)cc1OC 260800814 YHWIUBYIKXLWHP-ZDUSSCGKSA-N 370.471 1.583 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCC(CN3C(=O)CNC3=O)CC2)cc1 85472986 HPYKRSJULPKJGT-UHFFFAOYSA-N 365.455 1.202 0 40 FDAB CCc1cc(N2CCC[C@@H](NC(=O)N3C[C@H](OC)[C@H](OC)C3)C2)ncn1 276814712 DZTMHFODSIJBDO-OAGGEKHMSA-N 363.462 1.063 0 40 FDAB Cn1c(=O)c(CNC(=O)N2CCC[C@H]2Cn2ccnn2)cc2ccccc21 644500341 HPDPBUNESCYYGE-INIZCTEOSA-N 366.425 1.504 0 40 FDAB C[C@@H]1CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)C1O 661626629 KZCHHBJIBRICLR-HUUCEWRRSA-N 365.905 1.937 0 40 FDAB C[C@@H]1OC2(CCN(C(=O)Cc3ccc(Br)cc3)CC2)NC1=O 1615590930 MYVMDBHTPRBVBO-NSHDSACASA-N 367.243 1.845 0 40 FDAB Cc1cnn([C@@H]2CCN(C(=O)NCCn3c(=O)[nH]c4ccccc43)C2)c1 290925727 FTYRQCXCBSHOPJ-CQSZACIVSA-N 354.414 1.491 0 40 FDAB COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 585101963 NGVZZGOTVXXJOX-VQIMIIECSA-N 362.474 1.389 0 40 FDAB CCN1CCO[C@@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H]1c1ccccc1 585098832 HBUIDSWAOYGHQL-BIBJDHMNSA-N 365.499 1.269 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCOC[C@](O)(COc3ccccc3)C2)n1 585272728 QLKKAXDEHBNKIB-IBGZPJMESA-N 359.426 1.169 0 40 FDAB O=C(CN1CCN(c2ncc(Cl)cc2Cl)CC1)N1CCOCC1 58216472 DYZTUNSRBKLMDS-UHFFFAOYSA-N 359.257 1.369 0 40 FDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(c2ccccc2)CC1 85472772 CZTSZEIEYRIXIB-INIZCTEOSA-N 357.454 1.363 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)Cn1nc2c(C)cc3ccccc3n2c1=O 12182077 OUAVVYXRIYRYDL-UHFFFAOYSA-N 364.409 1.947 0 40 FDAB CSc1nc(C)c(CC(=O)NCc2nc(-c3ccccc3)no2)c(=O)[nH]1 12202690 UJTRURGTTMMGCN-UHFFFAOYSA-N 371.422 1.709 0 40 FDAB COc1ccccc1N1C[C@@H](NC(=O)Cn2cc(C(C)C)nn2)CC1=O 19453438 MPSMSORXYUWMMQ-ZDUSSCGKSA-N 357.414 1.332 0 40 FDAB COC(=O)Cn1c(C)c(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19581920 KBMBQDOVLMFSLC-USXIJHARSA-N 371.481 1.762 0 40 FDAB CCOC1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 19715553 GIFTZMYSFKLDJO-UHFFFAOYSA-N 351.472 1.775 0 40 FDAB COc1cccc(N2CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)c1 156843113 DWNLJVKTURHZJT-UHFFFAOYSA-N 354.472 1.557 0 40 FDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[C@@](C)(O)c1ccco1)C(=O)C2 227663743 MLRLVPURVCRBLE-VUCTXSBTSA-N 355.456 1.802 0 40 FDAB COc1cc(OC[C@H]2COC(=O)O2)ccc1COC[C@@H]1COC(=O)O1 627276194 BGJXLAVSNUYOBO-OLZOCXBDSA-N 354.311 1.661 0 40 FDAB COC(=O)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 13001299 LCMGVVFBJKABPJ-UHFFFAOYSA-N 368.864 1.091 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@@H]4C3)n1)CCC2 1888866251 IDXRAMPZMAANRG-GJZGRUSLSA-N 352.442 1.216 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)nc2ccccc21 1888903728 GCFXPDWOFBOIKC-STQMWFEESA-N 351.414 1.383 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(F)cn4)CC3)n2)n1 1775996014 QTHTVURHIRLXBV-UHFFFAOYSA-N 369.404 1.816 0 40 FDAB N=c1cc(CC[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)cc[nH]1 2037724443 UIXFZFSGNXZLEH-AWEZNQCLSA-N 355.442 1.570 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCOCC3(CC3)C2)N1Cc1ccccc1 630670190 CEQKSOVYRZNAPN-SJORKVTESA-N 358.438 1.743 0 40 FDAB CC(C)N(C)CC(=O)N1Cc2c(CN3CCOCC3)nn(C(C)C)c2C1 1565553667 BDIGJSIPTDRLMT-UHFFFAOYSA-N 363.506 1.479 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)[C@H]4CCOC4)C2)CO3)cn1 1565554363 YKJNAKIKRZABJV-MGPUTAFESA-N 353.422 1.986 0 40 FDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1 2952477 ARLPJDKQPOMFKZ-UHFFFAOYSA-N 369.377 1.736 0 40 FDAB COc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 4329656 MDNUNICGWCGWFY-UHFFFAOYSA-N 372.429 1.297 0 40 FDAB CCCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148072 VNGSTDHOTMEVPT-UHFFFAOYSA-N 352.398 1.068 0 40 FDAB CCCS(=O)(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055772692 QHWPOVUSYRBINU-NSHDSACASA-N 367.427 1.384 0 40 FDAB Cc1ccc(CC(=O)N2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055772104 WVKBEYVZNYFSHY-HXUWFJFHSA-N 354.454 1.840 0 40 FDAB Cc1ccsc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729955 ICRICUXRETWQKJ-LLVKDONJSA-N 355.485 1.741 0 40 FDAB COc1ccccc1NC(=O)Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O 20488794 GNFBALGVPFQHRB-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB NC(=O)C1CCN(C2CN(S(=O)(=O)c3cccc4ccccc34)C2)CC1 575611086 TVQAJJFVMKNLIF-UHFFFAOYSA-N 373.478 1.410 0 40 FDAB COc1ccc(/C=c2/sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc1 1244372 PRRVEKWVCYHNJG-RQZCQDPDSA-N 369.421 1.941 0 40 FDAB COc1ccc(CNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 40040282 NQDUGCFJGZLLGV-OAHLLOKOSA-N 357.332 1.885 0 40 FDAB O=S(=O)(Cc1ccccc1)NCCNS(=O)(=O)c1cccs1 30437428 TWBHBLXNCXHZQK-UHFFFAOYSA-N 360.482 1.146 0 40 FDAB NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1c(F)cccc1F 31683995 ASAKKZATKPRIPZ-UHFFFAOYSA-N 364.304 1.624 0 40 FDAB COC(=O)c1c(N)c(C(=O)N2CCOCC2)nn1-c1ccc(Cl)cc1 11615571 VNYZKYDCAUEEKA-UHFFFAOYSA-N 364.789 1.367 0 40 FDAB COc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1Br 1267337 JJTSZWKSBFDACQ-UHFFFAOYSA-N 371.220 1.108 0 40 FDAB COC(=O)c1ccc(CNC(=O)[C@H](C)Sc2nc3ncccn3n2)cc1 21561139 OSTNMSMQQYKAJT-NSHDSACASA-N 371.422 1.708 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2cccc(OC)c2)c1=O 4999922 JFIPBXCMUBOOPO-UHFFFAOYSA-N 367.405 1.508 0 40 FDAB COc1cc(N2C(N)=NC(N)=NC2(C)C)cc(Br)c1OC 6239739 GNOBFSBTJWTFGP-UHFFFAOYSA-N 356.224 1.652 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 101128030 VUPGBLWVWFMDOK-OAFZBRQQSA-N 366.385 1.992 0 40 FDAB CNC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 8423857 ILXBIVJCBDLTJW-UHFFFAOYSA-N 362.389 1.904 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1COc2ccccc2O1 12172446 DUBJKLNUGCBKSS-KRWDZBQOSA-N 355.394 1.374 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccccc2Cl)c1 22409768 UNSXSBJXOOWLCJ-UHFFFAOYSA-N 360.844 1.466 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCO2 8156095 QZBOXLDFCRWOPN-GFCCVEGCSA-N 373.409 1.500 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn(-c2ccccc2)nn1 58228759 CTPHTWWMBNRZFD-UHFFFAOYSA-N 355.423 1.477 0 40 FDAB O=C(NCc1ccccc1Cl)C1CCN(c2ccc3nnnn3n2)CC1 25367297 HVBPKJGDFPQUKY-UHFFFAOYSA-N 371.832 1.706 0 40 FDAB Cc1oc([C@H](O)[C@@H](O)[C@@H](O)CO)cc1C(=O)OCc1ccc(Cl)cc1 12611880 ZZHUOAPJSCRHRZ-BPUTZDHNSA-N 370.785 1.346 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCCOc1ccc(Cl)cc1 3398170 QSECGPSOWKHKQX-UHFFFAOYSA-N 374.780 1.965 0 40 FDAB CCC(CC)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 58046482 SSWZRZNKCGCFAH-UHFFFAOYSA-N 361.486 1.880 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1OC 12763541 MOYIHGCCZLOUPY-UHFFFAOYSA-N 370.456 1.831 0 40 FDAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCCN1CCOCC1 48314021 TUXDMHMQPZDWIW-UHFFFAOYSA-N 354.834 1.492 0 40 FDAB O=C(CNS(=O)(=O)Cc1ccccc1)NCCc1c[nH]c2ccccc12 12853853 YKEPQGMSIGCRCP-UHFFFAOYSA-N 371.462 1.946 0 40 FDAB CCn1cc(C(=O)O[C@H](C)C(=O)N2CCCC2)c(=O)c2ccc(C)nc21 8273116 FZJFIEFLKBWUMH-CYBMUJFWSA-N 357.410 1.893 0 40 FDAB Cc1cc(C)cc(OCC(=O)NCc2ccc(S(N)(=O)=O)s2)c1 12933623 MAYHGBMKVFXMJL-UHFFFAOYSA-N 354.453 1.708 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)nc2c1 3882695 ZTKYSQQEFVALOZ-HWAANXBSSA-N 358.375 1.676 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 408596274 RXBVOTKOYRMXRS-SECBINFHSA-N 351.808 1.205 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1[C@H](C)CCC[C@H]1C 23989842 MHFLYXDPHGDICG-CHWSQXEVSA-N 372.473 1.258 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)CC1 14138815 CVICECVXWTXTLB-UHFFFAOYSA-N 373.482 1.573 0 40 FDAB C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-n2cncn2)cc1 14241118 ZLMGTWONZQOBBC-ZDUSSCGKSA-N 353.382 1.858 0 40 FDAB Cc1cc(C)cc(C(=O)OCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 6841812 JJONIQNRWQIMFN-INIZCTEOSA-N 365.451 1.638 0 40 FDAB C[C@H](OC(=O)CSc1ccc(Br)cc1)C(=O)NC(N)=O 7431810 DPQOFIRLYKIPDJ-ZETCQYMHSA-N 361.217 1.668 0 40 FDAB COCCNC(=O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 9048133 CAWVEMVJWBTEPH-UHFFFAOYSA-N 358.423 1.579 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 71285670 VYHSZPSSKHJBCX-CHWSQXEVSA-N 352.412 1.522 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccncc1 71284111 FETOCYWGDDOYSM-UHFFFAOYSA-N 371.416 1.369 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2C(=O)O)c1 9537204 VTWPRCROZASGKD-CQSZACIVSA-N 372.418 1.545 0 40 FDAB CNC(=O)CNC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 9512660 IXARTXKKTJQWCG-UHFFFAOYSA-N 369.834 1.088 0 40 FDAB C[C@@]1(CCCO)CCCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 95454488 VVRSIYKOIDHYRR-KRWDZBQOSA-N 369.487 1.566 0 40 FDAB O=C(NCc1ccccc1CO)C(=O)Nc1cnn(-c2ccncc2)c1 79111313 XTFCJAGCVZZCSE-UHFFFAOYSA-N 351.366 1.015 0 40 FDAB O=C(N[C@@H](CO)Cc1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 79145060 OFDIZOAZKLMQAQ-IAGOWNOFSA-N 355.442 1.348 0 40 FDAB Cc1cc(N2CCN([C@H](C)c3nnc(CC(C)C)o3)CC2)n2ncnc2n1 95957530 XCYJWVGXPPJBMQ-CQSZACIVSA-N 370.461 1.897 0 40 FDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(OC)cc2)CC1 306125694 CYJFCRNBMOKVNL-UHFFFAOYSA-N 369.469 1.875 0 40 FDAB COCC(=O)NCC[C@@H]1CN(Cc2c(C)noc2C)Cc2ccnn2C1 306145004 ZUNJXQBBSPBCHW-OAHLLOKOSA-N 361.446 1.273 0 40 FDAB CSCC[C@@H]1NC(=S)N(CCNC(=O)c2ccc(C)c(F)c2)C1=O 32778532 GPIRRZROKLNCEU-ZDUSSCGKSA-N 369.487 1.702 0 40 FDAB O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 35586401 WIHWOOLHZMSDPP-UHFFFAOYSA-N 368.271 1.843 0 40 FDAB CS(=O)(=O)N1CCc2ccc(NC(=O)CN3Cc4ccccc4C3)cc21 36752502 FFWJJOPYCLOGTD-UHFFFAOYSA-N 371.462 1.963 0 40 FDAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 70638680 YVRFGQPHLHXCHY-UHFFFAOYSA-N 372.497 1.621 0 40 FDAB O=C(CN1CC(=O)Oc2ccccc21)Nc1nnc([C@H]2CCCO2)s1 71287772 QLHURVTWSMMHPL-GFCCVEGCSA-N 360.395 1.754 0 40 FDAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)NCCN4CCOCC4)[C@@H]32)Oc2ccccc21 72334252 WEHSMKAKMIUGAX-OBZYLPMUSA-N 370.449 1.495 0 40 FDAB COCC(=O)N1CCC[C@H](c2cncc(Nc3nc(C)cc(C)n3)n2)C1 72354345 ZKVDUAWJSFNBCA-AWEZNQCLSA-N 356.430 1.979 0 40 FDAB O=C(O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 77264335 KPGOLUCKWXKVAW-KURKYZTESA-N 370.405 1.033 0 40 FDAB biogenic,in-vitro O=C(O)c1cn([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)nn1 565032599 IACCFARRXWESLR-GFCCVEGCSA-N 358.354 1.225 0 40 FDAB CC1CCN(c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)CC1 49544807 BECHVIDFHCQPMV-UHFFFAOYSA-N 354.454 1.839 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C(Br)=C[C@H]2[C@H]2C=C[C@H]21 45070655 XALUWEUIIIWAGQ-XCCSTKFXSA-N 358.195 1.991 0 40 FDAB O=C(Nc1cccnc1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514288938 KOHRFSAXTWSPMF-MELADBBJSA-N 356.373 1.063 0 40 FDAB biogenic,in-vitro CN1C(=O)c2cccnc2O[C@H]2CN(C(=O)COc3ccccc3)C[C@H]21 514289056 FNGZDMJDDJSVTN-CVEARBPZSA-N 353.378 1.204 0 40 FDAB biogenic,in-vitro COCCN1CCCc2sc(C(=O)N3CCC(N(C)C)CC3)nc21 96146823 RPXCUPGOEIJIJO-UHFFFAOYSA-N 352.504 1.708 0 40 FDAB Cn1cc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)cn1 96208449 OJNDTDASFCOKHC-QGZVFWFLSA-N 357.458 1.908 0 40 FDAB CCn1nc(C(=O)N2CCC[C@H]2c2cncc(CNC(C)=O)n2)cc1C 257255847 KJCDZYNKBNHZHH-KRWDZBQOSA-N 356.430 1.615 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3ccc4c(c3)OCO4)C2)ncn1 257321327 WBDZFOAGGDFSNR-AWEZNQCLSA-N 355.394 1.845 0 40 FDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(O)CC3)cc2NC1=O 257173174 FSBLZHGQKTXYLA-MRXNPFEDSA-N 368.455 1.722 0 40 FDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257234540 GUAFRMGAHYFUCV-ACRUOGEOSA-N 360.498 1.821 0 40 FDAB O=C(N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cccnc1 257331518 XTFDQDITKROHPU-FYQPLNBISA-N 367.449 1.123 0 40 FDAB O=C(c1ccccc1OCc1cccnc1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 585082551 HRSSSPFUYZCSLF-MAUKXSAKSA-N 372.446 1.920 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3c(C)nc4ccccn34)CC2)n1 253537695 KLZFFUWNYZAVAX-UHFFFAOYSA-N 366.425 1.846 0 40 FDAB CCN1CCN(C(=O)c2cc3c(C)nn(C)c3nc2C)C[C@@]12CCOC2 1615588587 DCULKUOHVWYBNV-LJQANCHMSA-N 357.458 1.522 0 40 FDAB N[C@H]1CCCCN(Cc2nc(-c3ccc(Br)o3)no2)C1=O 644512932 MQPNHUVNUQNXJR-QMMMGPOBSA-N 355.192 1.932 0 40 FDAB COCC(=O)N1CC(F)(F)C[C@]2(CCN(Cc3ccncc3)C2=O)C1 585093160 GFYWEBRMEABBEL-MRXNPFEDSA-N 353.369 1.314 0 40 FDAB CCn1cc(CN2C[C@@H](C(=O)NCC(F)(F)F)C[C@H]3OCC[C@H]32)cn1 585108750 VBZXNVSHIYRCNU-BFHYXJOUSA-N 360.380 1.561 0 40 FDAB CO[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1Cc1cccc(F)c1 585277353 SNTGRXVWBZPPAZ-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB Cc1nccn1CCC(=O)N1CCOC[C@](O)(COc2ccccc2)C1 585277652 OETVHRNOIBOYJJ-IBGZPJMESA-N 359.426 1.251 0 40 FDAB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(N2CCOCC2)nc1 675106436 XLSIXBIBGVMMKQ-HUUCEWRRSA-N 361.446 1.474 0 40 FDAB COC(=O)CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 58162543 ACPRBHRFKLSGHD-UHFFFAOYSA-N 365.393 1.904 0 40 FDAB CCO[C@H]1C[C@](CO)(NC(=O)CN2C(=O)CCc3ccccc32)C1(C)C 547737273 RYFNCYLDZPGHEE-OXJNMPFZSA-N 360.454 1.648 0 40 FDAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 671609833 MZLJHICAEREQCS-QRWLVFNGSA-N 371.437 1.088 0 40 FDAB NC(=O)c1cc(OC2CCN(C(=O)c3coc(CC4CC4)n3)CC2)ccn1 585080357 XXYFOFOLKVAJBS-UHFFFAOYSA-N 370.409 1.805 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(F)c(F)c1 5653826 LVWBUBWUOCSDJZ-UHFFFAOYSA-N 359.284 1.987 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)Cc4cccs4)C3)c2n1 12085003 VRGVBUGQYZCGKI-LBPRGKRZSA-N 372.454 1.778 0 40 FDAB C[C@@H](C(=O)NCCCN(C)C)N1c2cccc3cccc(c23)S1(=O)=O 13675177 JELCMRYHDCYXSP-ZDUSSCGKSA-N 361.467 1.805 0 40 FDAB COC(=O)[C@]1(O)[C@H](C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=S)N1C 14075032 CLJYQTGOAUQHAM-PMUMKWKESA-N 374.418 1.501 0 40 FDAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@H]1CCS(=O)(=O)C1 19338006 XKDIUJMEJPPZEL-GJZGRUSLSA-N 350.465 1.978 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)ncc1C(N)=O 19754719 ADSPSTKMAMUTIJ-CYBMUJFWSA-N 372.400 1.808 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 19820003 CXRVOCMRZNGYMG-ZDUSSCGKSA-N 366.425 1.401 0 40 FDAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930696 VRBPCAMULLCXLQ-UHFFFAOYSA-N 368.499 1.991 0 40 FDAB O=C1CC[C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)CN1 575614903 ABEXTTDIXLJZEA-JTQLQIEISA-N 371.363 1.107 0 40 FDAB CCn1c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)nc2ccccc21 10651651 IUCKHNFTTKERRA-SFHVURJKSA-N 355.398 1.715 0 40 FDAB Cc1ncnc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1C 1888897209 PZXBXIYPEVXJSB-UHFFFAOYSA-N 367.384 1.886 0 40 FDAB COc1ccc(C(=O)N[C@H](C(=O)NCCCn2cccn2)C(C)C)cc1 30170954 SNLOIXDNATYCDE-KRWDZBQOSA-N 358.442 1.853 0 40 FDAB Cc1nnsc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 244955811 GAOQNVCYIUQXJS-UHFFFAOYSA-N 357.424 1.943 0 40 FDAB O=C(c1cncnc1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984612 HCEWZJOYDACMPJ-IBGZPJMESA-N 352.394 1.372 0 40 FDAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)cn1 1565546888 GFUSWZYLVXABCB-OALUTQOASA-N 360.502 1.511 0 40 FDAB CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)NCc3ccccc3)C2)C1 1565546445 BLURAIVTLLMIEL-BDVYOWHSSA-N 367.453 1.599 0 40 FDAB COC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)[C@]12C(=O)Nc1ccccc12 706086 YVMDEXGZYCWOHZ-LJQANCHMSA-N 372.377 1.476 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccn1 837419 OCASUXMZXMNYOT-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745740 XNKRVAVUXFUWBM-LBPRGKRZSA-N 358.398 1.931 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2cccs2)s1 606440734 XJQVOAKMQYBKAV-JTQLQIEISA-N 364.448 1.775 0 40 FDAB O=C1CN(c2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cn2)CCN1 40090576 KVJHCZZJCSEVTB-HNNXBMFYSA-N 366.377 1.258 0 40 FDAB CCc1ccc(C(=O)N2CCN(C(=O)CCCn3cncn3)CC2)cc1 40151830 WPQHISIUEPXNOR-UHFFFAOYSA-N 355.442 1.605 0 40 FDAB C/C(NCCN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20359666 WQYCZZUACMXQQW-BMRADRMJSA-N 370.453 1.927 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cccc(N2CCCC2=O)c1 32311778 UDGFLIZTCWVYEG-UHFFFAOYSA-N 366.377 1.881 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)NCCC(=O)N1CCc2sccc2C1 52140991 GCZDIWXEIRPFMS-UHFFFAOYSA-N 366.487 1.237 0 40 FDAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 6207814 RNNDUYSNURKZAE-UHFFFAOYSA-N 370.452 1.842 0 40 FDAB O=C(NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)nc1 32902609 SUQFIWGVCUPXJM-UHFFFAOYSA-N 356.430 1.166 0 40 FDAB CCCNC(=O)CN(CCC)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 54327691 WRLOLNFCDYBYNN-CQSZACIVSA-N 373.457 1.090 0 40 FDAB O=C(c1sccc1-n1cnnn1)N1CCN(Cc2ccncc2)CC1 46915120 GPKBSJJHEUYPRF-UHFFFAOYSA-N 355.427 1.077 0 40 FDAB CCc1nc(CN2CCN(C(=O)c3cnc(C)nc3C(C)C)CC2)no1 172140518 BWMFESOQUISQNC-UHFFFAOYSA-N 358.446 1.812 0 40 FDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 42772967 YIAMHRNBTWMHOS-IPYPFGDCSA-N 354.472 1.876 0 40 FDAB CCN1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 22943817 MCZCUAYJOOVGHJ-FQEVSTJZSA-N 361.486 1.909 0 40 FDAB COc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)n1 35269285 MKJCWXBTXHNRFP-HNNXBMFYSA-N 361.833 1.487 0 40 FDAB COCCN1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3C)C[C@@H]21 108530196 ADKXUZPIZNZUAA-HOTGVXAUSA-N 354.472 1.105 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 10036524 GOWOOXWUIFHDKH-SFHVURJKSA-N 361.401 1.552 0 40 FDAB O=C(CNC(=O)c1ccoc1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 58191929 KHKULQKBCOIPDL-ZDUSSCGKSA-N 372.299 1.758 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 58226340 VQCPKAUFRBVSPA-KRWDZBQOSA-N 358.354 1.046 0 40 FDAB COc1ccc(Br)cc1CNC(=O)N1CCC(C(N)=O)CC1 58213169 CTARBFXOGSWGKB-UHFFFAOYSA-N 370.247 1.865 0 40 FDAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 10619821 MHBHUQMKIZVSCZ-NWDGAFQWSA-N 354.428 1.058 0 40 FDAB CCCC[C@H]1C[C@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O 2345985 GZQIUADRVOTUNV-MEDUHNTESA-N 354.428 1.785 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CC2)C1 45376969 XAVAYIYBVNENQR-HNNXBMFYSA-N 351.472 1.441 0 40 FDAB CC[C@@](C)(CNC(=O)Nc1cccc(-n2nnnc2C)c1)N1CCOCC1 45687331 BYAGADRSURLMSG-SFHVURJKSA-N 373.461 1.593 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 3414709 ZGXDSOXUBWXHEO-UHFFFAOYSA-N 352.456 1.912 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1c(=O)oc2ccccc21 12995654 XFRDKYZODUOSBH-AWEZNQCLSA-N 352.394 1.899 0 40 FDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1cccs1 69950449 MVPABRRBJVQVNU-KRWDZBQOSA-N 369.446 1.840 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3N3CCCC3)cnc21 39539060 SMTFUENAEXFLKA-UHFFFAOYSA-N 366.425 1.759 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4495956 MBYXKNMNBASAAQ-GFCCVEGCSA-N 357.341 1.454 0 40 FDAB CCOC(=O)N1CCN(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)CC1 14163657 LEOGAIAOQSVUBC-SFHVURJKSA-N 366.462 1.609 0 40 FDAB CCOC(=O)/C=C/C(=O)NCCCCCCNC(=O)/C=C/C(=O)OCC 4673321 WHIALWSXPMTAMW-WGDLNXRISA-N 368.430 1.018 0 40 FDAB COc1ccc(CCNC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 9722107 XRFJUENMXVSQDI-UHFFFAOYSA-N 359.407 1.932 0 40 FDAB COc1ccc(NC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1 6840240 KZQRGUZMHGCITJ-UHFFFAOYSA-N 365.389 1.706 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 71280167 FILDFDDGPXTRFI-UHFFFAOYSA-N 362.437 1.929 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)NC(=O)NC1CCCCC1 7736260 VUDYBXUVLHITCC-UHFFFAOYSA-N 356.220 1.769 0 40 FDAB O=c1cc(CSc2nnnn2C[C@H]2CCCO2)c2ccc(O)cc2o1 16410760 BPOSTHXCKIZOPI-GFCCVEGCSA-N 360.395 1.956 0 40 FDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCCCCC2)c1 8025114 VZADLJZIVAZUEY-UHFFFAOYSA-N 367.471 1.187 0 40 FDAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CC1 8429262 OSDSBJFOIPUEAU-UHFFFAOYSA-N 371.890 1.558 0 40 FDAB CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 89954524 DIDAGONECMAQHH-UHFFFAOYSA-N 370.457 1.361 0 40 FDAB CN1CCC(N(Cc2ccccc2)C(=O)Nc2cnn(CC(N)=O)c2)CC1 72306054 RSVFAWAGUFGWAA-UHFFFAOYSA-N 370.457 1.497 0 40 FDAB Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 94870487 XJGYIGVUFHMCHA-SSDOTTSWSA-N 354.247 1.914 0 40 FDAB Cn1ccnc1C[C@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1 84331596 QOXGYQPNDGZKSB-CQSZACIVSA-N 355.442 1.412 0 40 FDAB CCn1cc(C(=O)C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cn1 95442825 PZYXIWTXVDDURF-OAHLLOKOSA-N 366.381 1.305 0 40 FDAB CCOC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)oc1C 95984617 XLPVIJFMEHKPJH-LBPRGKRZSA-N 358.416 1.006 0 40 FDAB COC(=O)c1cn([C@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)nn1 95940589 IFUJUWHONFINQP-ZDUSSCGKSA-N 354.370 1.562 0 40 FDAB Cn1ccc2c(C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)cccc21 79479950 WDWVIOYOCUXYSA-UHFFFAOYSA-N 362.389 1.612 0 40 FDAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccccn4)C[C@H]32)cc1 67897224 YXQRJCBRBZUELY-MOPGFXCFSA-N 353.422 1.702 0 40 FDAB biogenic,in-vitro CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)C1 546254880 IBYYLTBFJVLFPV-CYBMUJFWSA-N 372.418 1.449 0 40 FDAB C[C@@H](Cn1cccn1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619442 MPBUSCHREORORI-LBPRGKRZSA-N 365.372 1.945 0 40 FDAB CN1CCc2nc(NC(=O)CN3C(=O)COc4ccccc43)sc2C1 32997968 CASXJPRIIFPIAN-UHFFFAOYSA-N 358.423 1.495 0 40 FDAB O=C1NCC[C@@H]1CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 519701133 DAWZLXMCWHFGOR-GFCCVEGCSA-N 353.825 1.763 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2nc(CC(N)=O)cs2)c1C 524735439 CNJQZERTJZNLIF-UHFFFAOYSA-N 363.428 1.077 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C 38674842 NBJNIQXSVQWUAJ-CQSZACIVSA-N 355.435 1.754 0 40 FDAB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)OC)C1=O 35198837 XQENLVWHNNMNDZ-LFIBNONCSA-N 364.357 1.918 0 40 FDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217526892 MMGWREXBMPRRFH-LBPRGKRZSA-N 356.444 1.688 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218640331 SGWAMMSXIIRHQT-XEZPLFJOSA-N 358.435 1.558 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccn2)s1 225647789 BDMNZOHPHRPOBK-UHFFFAOYSA-N 355.445 1.396 0 40 FDAB COc1cccc(-c2c3c(=O)n(-c4ncn[nH]4)ccc3nc3nc(C)nn23)c1 40398524 OWRFKYDLYRNLSY-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](C)n2nnc3ccccc3c2=O)cc1 44450460 BASKFPLMMFQKEC-CYBMUJFWSA-N 352.394 1.720 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225506642 BZRSDBMSWJLZKK-OAHLLOKOSA-N 372.473 1.885 0 40 FDAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)O1 96063322 GDWPPCIFNVAPOD-HKUYNNGSSA-N 350.434 1.706 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106770 SYIMLKCHLUZTDA-MRXNPFEDSA-N 354.410 1.852 0 40 FDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)Cn1c(-c2ccccc2)noc1=O 579686240 FMSFUWANAUXXQN-AWEZNQCLSA-N 371.393 1.184 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)[C@H]4CCCO4)C3)C2=O)n1 96224729 RWWFMBMGNQRSRS-YLJYHZDGSA-N 357.454 1.910 0 40 FDAB Cn1cc(CN2CCOC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 96051301 BKJKTYAXQBAPMT-IBGZPJMESA-N 374.416 1.194 0 40 FDAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 332048012 LEOJOKCWBGXYBX-HZPDHXFCSA-N 361.490 1.787 0 40 FDAB CCc1cnc(N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)nc1 96230483 ZDXPOLRZNRJUHA-LJQANCHMSA-N 352.442 1.362 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 247847233 FBLLSGFZTOAHFL-AMLORBGZSA-N 370.449 1.925 0 40 FDAB COCCCNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 240772161 AWALUOROSMKKAD-UHFFFAOYSA-N 364.442 1.709 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 247912496 AADMRZDUUJYHTC-HOTGVXAUSA-N 355.460 1.138 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccsc1)CC2 247840242 KQRNADWRMHPGFV-CQSZACIVSA-N 372.512 1.508 0 40 FDAB COCCC(=O)N1Cc2ccnn2C[C@@H](OCc2csc(C)n2)C1 248061611 VZCSFNFAEOYEHA-HNNXBMFYSA-N 350.444 1.612 0 40 FDAB Cc1cc(N)cc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257255807 KIXUQIVQRURRPR-GOSISDBHSA-N 355.442 1.399 0 40 FDAB Cc1ccc2oc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)cc2c1 257204600 AVKPDCOJLCAGDG-SPYBWZPUSA-N 371.437 1.137 0 40 FDAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1cccnc1 253590883 GVZVFYCHPWWOPQ-OAHLLOKOSA-N 355.442 1.256 0 40 FDAB O=C1CO[C@H]2CN(Cc3ccc(F)cc3F)C[C@@H]2N1C1CCOCC1 257288996 PWOGIVIOIAXCOV-IRXDYDNUSA-N 352.381 1.555 0 40 FDAB Cn1ncc(Cl)c1CNCCCN1C(=O)NC2(CCCCC2)C1=O 548034828 JNTCAPCAFRCGCB-UHFFFAOYSA-N 353.854 1.808 0 40 FDAB CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(-c2ncc[nH]2)s1 67834306 UQJKACYUSRXXHO-NEPJUHHUSA-N 361.471 1.548 0 40 FDAB CCC(=O)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71764932 NOVOTQCWNHPJQU-UHFFFAOYSA-N 354.410 1.710 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cnn(C)n3)C2)c1 606442810 MCIJNBGSBUKGFD-HNNXBMFYSA-N 355.442 1.601 0 40 FDAB C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 289380282 LCSNIGAWFMGOQT-HPBDAGMYSA-N 358.486 1.134 0 40 FDAB CN1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)C[C@@]12CCOC2 1615592623 UPOMFIRLPIRAOY-LJQANCHMSA-N 355.442 1.488 0 40 FDAB Cc1cccn2c(=O)cc(CN3CC4(CCNCC4)[C@H]4COC[C@H]43)nc12 1615589865 LXGWQWORDURAHL-DLBZAZTESA-N 354.454 1.203 0 40 FDAB CN(C)c1ccc([C@@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)nn1 643903761 PSTIPUKSVONZGZ-ZDUSSCGKSA-N 357.380 1.700 0 40 FDAB Cc1cncc(CN2CCC[C@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 585101126 GRLAFMIMBFJHEK-HNNXBMFYSA-N 371.363 1.574 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@]12C[C@@H](c1ccccc1)CO2 585288196 QUMSHGCUSKKNHL-IDHHARJASA-N 355.394 1.596 0 40 FDAB Cc1nocc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3cccnc3)CC[C@H]21 585108697 CECCCRPIDDIQNP-BRWVUGGUSA-N 370.409 1.457 0 40 FDAB O=C(O)[C@@H]1C[C@H](n2ccnn2)[C@H](NCCCc2ccc3c(c2)CCO3)C1 685943439 WOHKANQPGAVPOA-BBWFWOEESA-N 356.426 1.840 0 40 FDAB COc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1OC[C@@H]1CCCO1 48152056 YHKJZTLFPYPPRG-AAEUAGOBSA-N 357.428 1.625 0 40 FDAB C[C@H]1Oc2ccc(S(=O)(=O)NCc3cc(C4CC4)[nH]n3)cc2NC1=O 12147112 QBNIEZBOXKTOBG-SECBINFHSA-N 362.411 1.485 0 40 FDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCCC3)c(=O)n12 12181588 ZXIUNJVVLSOZPC-UHFFFAOYSA-N 354.410 1.979 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2=O)c1 19565785 FSAOPFURWAWOMY-VIFPVBQESA-N 368.315 1.972 0 40 FDAB CN1CCN(CCCN(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 19590034 WGOCPPZRFVFRFH-QGZVFWFLSA-N 351.878 1.739 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)CCn2cccc2)C[C@H]1OC(=O)c1ccccc1 643586916 KRHQMVVOXHWDRC-DLBZAZTESA-N 369.421 1.438 0 40 FDAB CCn1ccnc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644493089 ZRLJPMKZTHHBEZ-FQEVSTJZSA-N 356.470 1.936 0 40 FDAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)N2CCCC2)C(=O)N1 1888953176 VOMUTLLZGBZTAP-UNEWFSDZSA-N 366.439 1.202 0 40 FDAB Cc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)nc(N(C)C)n1 1889139427 RUNMBGAARLWHQW-UHFFFAOYSA-N 351.458 1.821 0 40 FDAB CCc1ccc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)cn1 1565555365 YRIGNXRWDXMIGO-UHFFFAOYSA-N 351.414 1.526 0 40 FDAB CC1=NN(Cc2ccccc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147956 MONNKZOEGNPXET-UHFFFAOYSA-N 372.816 1.483 0 40 FDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 5188658 GFVZJFOLFRGNLJ-UHFFFAOYSA-N 358.375 1.291 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2cccc(F)c2)c(=O)c3=O)cc1 8849241 SRAQUFTXCXEJIF-UHFFFAOYSA-N 368.368 1.753 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3cccs3)o2)C1 13790435 LUWIENUYNKYLSK-SECBINFHSA-N 356.429 1.408 0 40 FDAB CN(C)c1ncccc1CNC(=O)Nc1cccc(N2CCNC2=O)c1 40120448 YLBOYGDCCUDXNW-UHFFFAOYSA-N 354.414 1.999 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 50963882 KGACIENUIQUEMC-MRXNPFEDSA-N 372.462 1.097 0 40 FDAB O=C(c1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)c[nH]1)N1CCCC1 29438418 XTMZHSGPUJMLMY-UHFFFAOYSA-N 359.411 1.928 0 40 FDAB Cn1ncc2c(N3CCN(C[C@@H](O)c4ccccc4Cl)CC3)ncnc21 46054134 YACHYIBNCVOKHA-MRXNPFEDSA-N 372.860 1.872 0 40 FDAB CNC(=O)N(CC1CCCCC1)c1nc2c(=O)n(C)c(=O)[nH]c2s1 1593098 IUSIUQSOEYDVOO-UHFFFAOYSA-N 351.432 1.409 0 40 FDAB COc1cccc2c1OC(=O)[C@H]1[C@@H](C(=O)O)Sc3[nH]c(=O)sc3[C@H]21 4042640 DYFKIRSJFMIWQT-XLDPMVHQSA-N 365.388 1.671 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)C3CCCCC3)cc2N1 2654204 RKALSXBQVHIVGH-UHFFFAOYSA-N 374.393 1.440 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1nnc2ccccn12 22422353 BFXCXLVAEZWKHB-GFCCVEGCSA-N 350.382 1.260 0 40 FDAB Cn1cc(-c2nc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cs2)cn1 53528224 WREBNVCUUKZSOH-UHFFFAOYSA-N 352.383 1.976 0 40 FDAB O=C(CN1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1)NC1CC1 22695051 OFXWCUZAAWDYLC-UHFFFAOYSA-N 370.280 1.959 0 40 FDAB CC(C)[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 22758491 SMWZYPXNFQRFSB-ZDUSSCGKSA-N 370.471 1.629 0 40 FDAB C[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)N1C(=O)c2ccccc2C1=O 23073484 LITUUOGEEWZSPP-GFCCVEGCSA-N 361.361 1.891 0 40 FDAB O=C(CCn1nnc(-c2ccccc2)n1)NC(=O)NCc1ccccc1 23003879 KNRIPPIQBJBUQZ-UHFFFAOYSA-N 350.382 1.756 0 40 FDAB Nc1nc(N)nc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 23248980 ZTJOTLCKGQKCOM-UHFFFAOYSA-N 367.379 1.373 0 40 FDAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(C)noc2n1 54394456 BEKHCQSPBQTBME-UHFFFAOYSA-N 360.395 1.417 0 40 FDAB O=C(NC[C@@H]1COCCO1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 54619953 LSGFQBQDAGEHMH-GFCCVEGCSA-N 363.364 1.784 0 40 FDAB NC(=O)C1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)CC1 20673060 PWRRQMPKYDSGTB-CYBMUJFWSA-N 366.421 1.797 0 40 FDAB CCC(=O)N1CCc2nc3cc(C4CCN(C(C)=O)CC4)nn3c(O)c2C1 100242794 QGUNKLFODBSUFI-UHFFFAOYSA-N 371.441 1.456 0 40 FDAB CCCCNC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20582900 VKJNVWYGZHUORY-UHFFFAOYSA-N 351.428 1.475 0 40 FDAB Cn1c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O 57364767 RMFZTTIXORIGJM-HNNXBMFYSA-N 357.410 1.192 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CCCO1 35426932 BAUVBXLDNZRGPD-OAOYMFHYSA-N 373.497 1.527 0 40 FDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 58419691 OBJALYYIYTVMGL-ZBFHGGJFSA-N 363.433 1.184 0 40 FDAB CCn1nccc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614483 GTNQANAVNGMFAS-UHFFFAOYSA-N 362.455 1.851 0 40 FDAB O=C(NCCNc1ncccn1)c1nc(N2CCCCC2)ncc1Cl 48286636 UBXOWPUMSOESFP-UHFFFAOYSA-N 361.837 1.752 0 40 FDAB CCCNC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 12801390 NVYZYDTVFKGIOV-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(OC)cc2)c1=O 6678996 STZZJBCMDGGCEN-UHFFFAOYSA-N 373.434 1.570 0 40 FDAB CC(C)CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 22273307 SZOLWEKHKVEUPA-UHFFFAOYSA-N 363.277 1.987 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2o1 6859832 QVQIDRSIJHDGLC-ZDUSSCGKSA-N 364.423 1.198 0 40 FDAB COc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)NC(C)C)n1 15028559 FASJFKOJJGIUQD-UHFFFAOYSA-N 359.434 1.162 0 40 FDAB O=S(=O)(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1 96000661 RTFCWNBJJJJQFO-CQSZACIVSA-N 355.423 1.633 0 40 FDAB O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9336008 FCZNSSOUAXUXBF-UHFFFAOYSA-N 359.860 1.613 0 40 FDAB Cc1cnccc1N1CCCN(C(=O)[C@@H]2CC3(CCNCC3)CN2)CC1 72145117 NTZXFLFMBDXEMI-KRWDZBQOSA-N 357.502 1.160 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 95461080 XWMCEGZNCYFLHY-ZIAGYGMSSA-N 354.476 1.840 0 40 FDAB CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 95456700 WNQWQNLOCQHWDP-HUUCEWRRSA-N 352.479 1.145 0 40 FDAB O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)Oc2cccnc2)c1 95469234 JMUDQDUNFNCZEA-UHFFFAOYSA-N 354.409 1.290 0 40 FDAB CCS(=O)(=O)c1ccc(S(=O)(=O)N(CC(C)(C)O)C(C)C)cc1 84811655 YUJKOQIIMGUMTK-UHFFFAOYSA-N 363.501 1.650 0 40 FDAB CC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)CN2C)n1 20464328 DGWHXYSQBOFZON-JSGCOSHPSA-N 350.444 1.917 0 40 FDAB biogenic,in-vitro Cc1cc(CN2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)n(C)n1 306142960 XPEGJAVUYOGHQO-SFHVURJKSA-N 372.473 1.121 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 38377294 KWJHREFZJPIEMK-UHFFFAOYSA-N 357.432 1.200 0 40 FDAB CCOCCCNC(=O)Cn1ncc2c3oc(C)cc3n(CC)c2c1=O 72335350 SDCIYGXIVJJKGO-UHFFFAOYSA-N 360.414 1.815 0 40 FDAB COc1cccc(-c2cc(C(=O)NCCn3cccnc3=O)n(C)n2)c1 670445838 STTUMOZRMKMNEA-UHFFFAOYSA-N 353.382 1.082 0 40 FDAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)cc1 72371616 LDDKXPHJPPBLHZ-OAHLLOKOSA-N 372.469 1.917 0 40 FDAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1COc2ccccc2O1 224717462 KDKMMTPJFMKRGC-HXUWFJFHSA-N 368.433 1.975 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC(C)CC2)n1 225878710 FVIQNDWGHQXXDY-UHFFFAOYSA-N 350.492 1.466 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)N1 40033859 PAQVOTYMVBVJJS-UHFFFAOYSA-N 357.341 1.900 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)NC3CCCCC3)cc2)c1=O 75163218 FIKXLRLQYRECFH-UHFFFAOYSA-N 360.418 1.530 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 40161688 IWQZQTVALKGDBW-QMMMGPOBSA-N 370.408 1.016 0 40 FDAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223611119 DFYWGAUVHIWBMN-SJORKVTESA-N 360.483 1.884 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)NCc2cn3cc(C)ccc3n2)cn1 576274854 XSQJIVPBIKVKOP-UHFFFAOYSA-N 352.398 1.996 0 40 FDAB Cn1nc(N2CCC[C@H](C(=O)NCc3nc4ccccc4[nH]3)C2)ccc1=O 85470891 LXWHSDRNRPCFLC-ZDUSSCGKSA-N 366.425 1.189 0 40 FDAB CC(C)[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 225223016 KLQZMMVJQUNHAK-OAHLLOKOSA-N 367.515 1.538 0 40 FDAB CCNC(=S)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 225224434 YKBMXTBFLPYASJ-UHFFFAOYSA-N 353.488 1.724 0 40 FDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 195528588 VDOCHVMPVXCZPB-IHRRRGAJSA-N 362.426 1.693 0 40 FDAB Cc1cc(=O)n(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 90592423 PXPUYIZABKXVLK-UHFFFAOYSA-N 361.345 1.549 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)no1 96249689 GBEPWEGIZCVFGT-SJLPKXTDSA-N 356.426 1.741 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 96143439 FLEHTKZFSMLYCX-FQEVSTJZSA-N 372.469 1.411 0 40 FDAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@@H](CN3CCOCC3)O2)C1 96160293 RWTYGNGLAUITAZ-WMZOPIPTSA-N 350.415 1.002 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 96219929 MUXNILKDRLRUSH-DLBZAZTESA-N 353.488 1.487 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCCN2CCCC2)[C@@H]1c1ccccc1 257316364 VFFXQPFAHAJPSV-QUCCMNQESA-N 373.497 1.825 0 40 FDAB CSc1ncccc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 252485384 GSWGCKYEVRGMJI-UHFFFAOYSA-N 369.454 1.771 0 40 FDAB CN(C)CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1 257300732 RVMLCCIEGZZHRD-WFASDCNBSA-N 353.850 1.373 0 40 FDAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@H]2CCN(S(C)(=O)=O)C2)n1 257323597 WLALCCFFWDQDBD-AWEZNQCLSA-N 361.423 1.899 0 40 FDAB O=C(CCn1cc(Cl)cn1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 91726197 UBQWWUDGPZLDMK-UHFFFAOYSA-N 372.816 1.678 0 40 FDAB O=C(N1CCOCC1)N1CCC(Oc2ncc(Br)cn2)CC1 1776009321 DELQXVLPPVBTQW-UHFFFAOYSA-N 371.235 1.535 0 40 FDAB O=S(=O)(CCc1c(F)cccc1F)N1CCCC[C@H]1c1nc(O)n[nH]1 632436104 CNHONFSWYGYRSQ-ZDUSSCGKSA-N 372.397 1.888 0 40 FDAB C[C@H](NC(=O)N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1-n1cccn1 654490323 BBRLWVMSUDOONU-UONOGXRCSA-N 365.441 1.919 0 40 FDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ncsc2c1 390829050 CNCGIAIVQVJIJM-LBPRGKRZSA-N 365.422 1.743 0 40 FDAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)CCc1ccc[nH]1)CC2 585110659 WKDCYXDEMGMIGL-UHFFFAOYSA-N 369.469 1.645 0 40 FDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 585287890 UOWOEIDKFOEHQV-WMZOPIPTSA-N 357.397 1.446 0 40 FDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)Cc2ccnn21 585112349 OSQVBCHXZAWXDY-CYBMUJFWSA-N 368.846 1.418 0 40 FDAB CCc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)no1 585273458 RMBDEBDTCVKUOT-UHFFFAOYSA-N 367.408 1.269 0 40 FDAB Cc1cc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cn2ccnc12 502885028 NJZZEQMGQKQXRN-UHFFFAOYSA-N 363.377 1.947 0 40 FDAB Cc1noc(C)c1CN1CCN(c2nccc(N3CCOCC3)n2)CC1 676308012 KLLIUHDLZTVCMT-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB Nc1nc(Cl)c(N)c(NCc2ccc(C(=O)N3CCOCC3)cc2)n1 1639389118 CKEFNEUPFHWZJC-UHFFFAOYSA-N 362.821 1.379 0 40 FDAB Cc1cccc(OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 17135460 JBORRUSMNWJSDL-AWEZNQCLSA-N 363.439 1.877 0 40 FDAB COCCC(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cnccn3)n2)C1 19584660 DCHDWZXCTGWQBA-CQSZACIVSA-N 370.457 1.742 0 40 FDAB O=S(=O)(CCc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575606805 MFDORYJLEVFHAY-GOSISDBHSA-N 352.500 1.649 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C)C(N)=O)cc1 6099099 MBWOOCNOKBXZOJ-GXTWGEPZSA-N 356.444 1.105 0 40 FDAB COCCc1nsc(N2CC(Cn3cc(Br)cn3)C2)n1 1889095482 LFDPDXPFBYHZQJ-UHFFFAOYSA-N 358.265 1.822 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccc3c(N)[nH]nc3n2)C1 1848356104 IITIVAPMJZYYFR-LBPRGKRZSA-N 353.430 1.829 0 40 FDAB Cc1nccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037984571 GAUWHDIDAHZJHX-QGPMSJSTSA-N 370.384 1.047 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC(Oc2ccncc2)CC1 252483854 FKCKSLCCAGWODW-MRXNPFEDSA-N 351.472 1.709 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565546331 ZTBDWPYEVISVOU-UHFFFAOYSA-N 369.425 1.420 0 40 FDAB CCc1nc2c(c(=O)n1CCOC)CCN(C(=O)Cc1ccccn1)CC2 1565541812 MRNNJTBWDLIHQG-UHFFFAOYSA-N 370.453 1.017 0 40 FDAB CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823827 MJYAZEHVLKGATB-UHFFFAOYSA-N 351.414 1.659 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3ccco3)CC2)[nH]1 2055745941 SMGOUDAJHRAJLE-UHFFFAOYSA-N 357.458 1.504 0 40 FDAB O=C(C[C@@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccco2)on1 38754437 KGEYFXAHZWOPKL-LLVKDONJSA-N 358.379 1.845 0 40 FDAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2ncccn2)C1 575610953 PUKXDOGULYZKJV-MRXNPFEDSA-N 367.409 1.399 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)c2nccnc21 19373399 ACXXQMBOJKEYJP-CQSZACIVSA-N 366.425 1.180 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)nc1 40025698 RSPCWEUFUHSZGU-UHFFFAOYSA-N 369.421 1.662 0 40 FDAB COc1cc2[nH]c3c(N4CCN(CCO)CC4)ncnc3c2cc1OC 20358877 CMQFZAKWGQGQMI-UHFFFAOYSA-N 357.414 1.243 0 40 FDAB O=C(NCCNC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1 32458778 ZPQUYGOPUJHXEH-UHFFFAOYSA-N 353.426 1.239 0 40 FDAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 101661850 SDVUDNSZYQHVDV-CPUCHLNUSA-N 364.467 1.626 0 40 FDAB CCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 32848289 BGAPMUGXDJZUML-GFCCVEGCSA-N 356.444 1.940 0 40 FDAB CCNS(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11915247 WHHXIIOXPAMHLI-UHFFFAOYSA-N 373.438 1.000 0 40 FDAB CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404748 KOQGWSDOMNJYFZ-UHFFFAOYSA-N 356.444 1.246 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 23064800 FFFYYOKZNUIGQE-UHFFFAOYSA-N 372.425 1.946 0 40 FDAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCO[C@H]2CCCC[C@@H]21 47217455 XEACRMSVYQEAKZ-IRXDYDNUSA-N 364.467 1.911 0 40 FDAB O=C(c1ccccc1)N1CCN(CN2C(=O)NC3(CCCC3)C2=O)CC1 23424945 DYVAAVWITJAXHY-UHFFFAOYSA-N 356.426 1.267 0 40 FDAB CCOC(=O)c1cc(C)n(CC(=O)NCc2nnc3ccccn23)c1C 24333336 VMGRYQNMTPSSNI-UHFFFAOYSA-N 355.398 1.641 0 40 FDAB CC(C)C[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)N1CCOCC1 24981204 BBZBDLPPKZQOON-OAHLLOKOSA-N 373.453 1.389 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cnn(C)c2)C(C)C)cc1C 25307634 FHKQJHIXJHXNPZ-INIZCTEOSA-N 364.471 1.979 0 40 FDAB O=S(=O)(NC1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCCO2 56090641 RKYRMTGYZPCXGC-UHFFFAOYSA-N 369.439 1.812 0 40 FDAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H]1c1cccs1 57381147 MDALPEDVXQVOEX-WDEREUQCSA-N 362.455 1.136 0 40 FDAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57525887 ACHHWCIJDZGPGD-HNNXBMFYSA-N 373.453 1.505 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2ccccc2F)CC1 108457388 VTDDPUVLVJGMIF-RPLLJCPNSA-N 368.408 1.781 0 40 FDAB COC(=O)CCN1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 58265223 YQTIGFWSWZCXLG-UHFFFAOYSA-N 370.453 1.810 0 40 FDAB O=C1NCCN1CCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 58356743 LGBLBMUFZUANBE-UHFFFAOYSA-N 351.838 1.515 0 40 FDAB C[C@@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 12684095 FPSGQTXRBCCLBB-CQSZACIVSA-N 365.389 1.817 0 40 FDAB CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(OC)cc1 12650373 NOKQMOBYKDGQHB-CQSZACIVSA-N 356.444 1.001 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(OC(F)F)cc1 10662187 FSHFOSJTNNPWSA-UHFFFAOYSA-N 367.337 1.731 0 40 FDAB CCOC(=O)CC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 36365024 OOYJBSRQDMMOAT-UHFFFAOYSA-N 370.408 1.009 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cn1 10991559 NHYFZSSQKSBUBW-UHFFFAOYSA-N 360.414 1.207 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C 36614727 NYBPLXHIVCMOEI-UHFFFAOYSA-N 372.491 1.761 0 40 FDAB NC(=O)CC1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 62263633 OFWINPKMRBJMRY-QGZVFWFLSA-N 357.454 1.334 0 40 FDAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 12892302 MKYQSVBYTPTOKE-NSHDSACASA-N 374.422 1.454 0 40 FDAB CCOCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5251882 YOLRLFSCNVCFIX-UHFFFAOYSA-N 367.409 1.390 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 5598888 VBKNEFOZYNNFAX-HNNXBMFYSA-N 361.375 1.960 0 40 FDAB CCS(=O)(=O)Nc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 16693589 NRLRKHYEMASCKZ-GOSISDBHSA-N 374.418 1.861 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cnc12 81702632 HIKAMWLQWUNBPD-FXAWDEMLSA-N 363.417 1.870 0 40 FDAB COC(=O)C[C@@H](C)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 72309409 SEYMJNFBJBLOOX-GFCCVEGCSA-N 364.471 1.134 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCCN(Cc2noc(C3CC3)n2)CC1 89761982 WGWDQDHMGATUBJ-UHFFFAOYSA-N 356.430 1.896 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccccn4)nn23)C1 1501040131 BARWBRKRBANEQE-JTQLQIEISA-N 364.456 1.387 0 40 FDAB CC(C)c1noc([C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C2CCOCC2)n1 502669674 NLGNSHBOMJSRST-TZMCWYRMSA-N 350.419 1.255 0 40 FDAB CC(C)Cc1cc(C(=O)NCCc2nc(C(=O)O)cs2)nc(O)n1 1506402248 VSKUMEOYSXMHGR-UHFFFAOYSA-N 350.400 1.508 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CC2(Cn3cccc3)CCCCC2)CC1 524734095 WLJASRRWPUCWCJ-UHFFFAOYSA-N 367.515 1.933 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc2c(c1)OCO2 39985028 SIBIFSAMKHSCNO-UHFFFAOYSA-N 368.311 1.955 0 40 FDAB CCOc1cc(NC(C)=O)ccc1C(=O)NC[C@@H]1CN(C(C)=O)CCO1 38931853 VOYHAACPSNQVHU-OAHLLOKOSA-N 363.414 1.021 0 40 FDAB in-vitro CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(OC)cc1 71980267 QWTSQZVHYRCUQO-MRXNPFEDSA-N 362.426 1.823 0 40 FDAB Cc1cc(C(N)=O)ccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 40088573 ATETYKVGKKMLAB-ZIAGYGMSSA-N 357.410 1.598 0 40 FDAB CSc1cccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)c1 225717290 ZGOJYKNZCVVRFP-UHFFFAOYSA-N 356.447 1.993 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 225404601 XVKKVCGPOSLBPE-CQSZACIVSA-N 370.409 1.494 0 40 FDAB CC(=O)N[C@@H]1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2[C@H](C)O)C1 225434636 AOBZERHJPICWKE-IINYFYTJSA-N 361.373 1.885 0 40 FDAB biogenic,in-vitro COC(=O)CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1 40122676 YHEMBCBBUCIDBT-CYBMUJFWSA-N 356.378 1.995 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 225398353 GJUAORWOICAYTP-AWEZNQCLSA-N 366.425 1.572 0 40 FDAB COc1ccc(-c2nc(C)no2)cc1S(=O)(=O)N1CCC(O)CC1 227153853 ZQENJUUTHQLVJU-UHFFFAOYSA-N 353.400 1.199 0 40 FDAB CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1cc(C)ccc1C 225934517 APGUMJVYDZVUJW-UHFFFAOYSA-N 353.488 1.088 0 40 FDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cccnc1O 225724222 FQNJSDVUNJVEOY-UHFFFAOYSA-N 367.331 1.995 0 40 FDAB O=C1COC[C@H](C[C@H]2CN(C(=O)NCc3cccnc3)c3ccccc32)N1 571788502 HEYORGNMXNYTCH-HOTGVXAUSA-N 366.421 1.800 0 40 FDAB Cc1ccc(CC(=O)N2CC[C@@H]3CN(CCN(C)C)CCO[C@@H]3C2)cc1 96249597 UXZDHTZQIFULRM-WOJBJXKFSA-N 359.514 1.648 0 40 FDAB CS(=O)(=O)N[C@H]1COCCC12CCN(CCc1ccccc1)CC2 96216615 GDXYRAMREIYKFU-KRWDZBQOSA-N 352.500 1.649 0 40 FDAB O=C(NCc1nc(C2CC2)n[nH]1)N1CCN(c2cccc(F)c2)C(=O)C1 582651306 JMZZMPVRQDQMOY-UHFFFAOYSA-N 358.377 1.380 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(CC(=O)N(C)C)C1 96244529 XIUNKDAPYCJMDU-IBGZPJMESA-N 359.474 1.169 0 40 FDAB O=C(NCCN1CCCC1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96147304 MWDQPRIGNFYGEU-UHFFFAOYSA-N 355.398 1.051 0 40 FDAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](n4cc(C(=O)O)nn4)C3)ccc2O1 581261387 KIXCTZGKOBQOHM-SMDDNHRTSA-N 356.382 1.777 0 40 FDAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1 247505519 RGRLRRMQLLQONF-QGZVFWFLSA-N 369.469 1.567 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 257341564 ZKXCUUGYDAKZQJ-MRXNPFEDSA-N 354.476 1.441 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 257273641 NHNMPRYDMQCXEL-CQSZACIVSA-N 352.398 1.530 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2n[nH]c3ccccc23)n1 257278972 OELKDAZGTQPDBG-CQSZACIVSA-N 352.398 1.917 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N[C@H]2CCCN(C)C2)c1 257204392 AUJJVZFABZTTHC-INIZCTEOSA-N 355.442 1.332 0 40 FDAB Cc1ncsc1C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257266451 MDBKKOZSYNCZJT-SNVBAGLBSA-N 354.457 1.598 0 40 FDAB O=C(c1noc2c1CCCC2)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257289475 PYTSRYMXTNLKTH-ZDUSSCGKSA-N 358.398 1.523 0 40 FDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC2)cc1 282594182 GYQRNZZDEHLGSM-KRWDZBQOSA-N 374.485 1.291 0 40 FDAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cnc(N(C)C)nc1 657510476 LIVWGKAOMHMOIB-RHSMWYFYSA-N 357.462 1.430 0 40 FDAB Cc1nc(N2CCN(Cc3cccc(F)c3)CC2)sc1S(N)(=O)=O 669967566 WLARVXUBNHAEIV-UHFFFAOYSA-N 370.475 1.560 0 40 FDAB O=c1[nH]c2cc(S(=O)(=O)N3CCC4(CC3)OCCS4)ccc2o1 96025920 XECLHPKPVBEKBA-UHFFFAOYSA-N 356.425 1.365 0 40 FDAB O=C(CN1C(=O)CCc2ccccc21)N[C@@H](Cc1ccncc1)C(=O)O 655598765 NNPHCSOYSZXLSA-HNNXBMFYSA-N 353.378 1.173 0 40 FDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccc(C(=O)O)cc2)CCO1 585278560 UPKHZDIILUJALB-GOSISDBHSA-N 350.415 1.081 0 40 FDAB O=C(NCc1cscn1)C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1 585101324 YLJIYYUEQPKYSO-INIZCTEOSA-N 358.427 1.365 0 40 FDAB COc1cccc(S(=O)(=O)NC(=O)c2cccc(C[S@](C)=O)c2)c1 69366116 XZRUVZFGOKVWMJ-HSZRJFAPSA-N 367.448 1.692 0 40 FDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CSCCC(=O)N2)CC1 75171412 BJIRSJQFHZNJAH-CQSZACIVSA-N 367.902 1.919 0 40 FDAB COc1ccc2c(c1)CCN(C(=O)[C@H]1Cn3c(C)nnc3CN1C)CC2 644440112 LIAFYJAZMROJJV-QGZVFWFLSA-N 355.442 1.037 0 40 FDAB Cc1cccnc1C(=O)N1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 1615191136 OHLVGJZNZPTSHM-GDBMZVCRSA-N 354.410 1.570 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615160930 URLRIPJTDVJFCP-IBGZPJMESA-N 354.410 1.458 0 40 FDAB CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 1527452909 OUHJDXQUHGBIPE-MWQQHZPXSA-N 372.531 1.853 0 40 FDAB CNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 5138601 PGAHRQIWZMNLKL-UHFFFAOYSA-N 356.407 1.889 0 40 FDAB C[C@H]1[C@@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 5663365 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CEQKSOVYRZNAPN-DLBZAZTESA-N 358.438 1.743 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565552167 PRKHLARUIJTEQI-QOSLBHJFSA-N 355.438 1.171 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCOCC1 4174012 KMOHVMFBXIPKHP-UHFFFAOYSA-N 372.446 1.910 0 40 FDAB COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1 4251531 XZFHHLUQIWUFPX-UHFFFAOYSA-N 373.390 1.930 0 40 FDAB O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1 4323067 KSNZTPZEZQPIOP-UHFFFAOYSA-N 371.890 1.318 0 40 FDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCC(C)C)n1 9037997 ZVZYRQDQLKQRMV-UHFFFAOYSA-N 374.445 1.317 0 40 FDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 17244050 WQHZHMXZSVWPMW-AOOOYVTPSA-N 350.396 1.275 0 40 FDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(C)on3)CC2)cc1 23134709 ZOGCXVUYBSEDPH-UHFFFAOYSA-N 367.413 1.225 0 40 FDAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)NCc1ccco1 35598317 KZVZXXZCTBDOKE-UHFFFAOYSA-N 353.426 1.590 0 40 FDAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(C(N)=O)nsc2c1=O 49409396 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O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(OC2CCCC2)cc1 102204750 JGDTYTOGSCYUOC-LUKYLMHMSA-N 370.405 1.815 0 40 FDAB O=C(NCc1cccc(O)c1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 52739163 AJQRIUAWTUATRC-UHFFFAOYSA-N 369.377 1.599 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(N)=O)CC2)c(C)c1 9627665 QJWOGZIKBUMZAT-UHFFFAOYSA-N 368.455 1.041 0 40 FDAB CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22382168 BKPWJQAJOMDYHD-CQSZACIVSA-N 368.455 1.527 0 40 FDAB O=C(CNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCS(=O)(=O)C1 42109072 KIDRRSOGVGDCIK-QMMMGPOBSA-N 371.768 1.469 0 40 FDAB Cc1ccc(F)c(NC(=O)NCCN2CCN(c3ncccn3)CC2)c1 47346427 OALDURCPPDXNQH-UHFFFAOYSA-N 358.421 1.868 0 40 FDAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 24258499 JCUNGYMNLWUQKU-CYBMUJFWSA-N 368.480 1.634 0 40 FDAB CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 25373634 WHNVXVDVCLAHCF-OAHLLOKOSA-N 370.471 1.093 0 40 FDAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccccc1C(F)(F)F 20635126 MFAVDFJJNUTTEO-UWVGGRQHSA-N 362.329 1.719 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 3248732 XHAFWWWMDZAYOL-UHFFFAOYSA-N 366.396 1.884 0 40 FDAB COc1ccc(-n2ccc(CNC(=O)CCNC(=O)[C@H]3C[C@@H]3C)n2)cc1 55613420 QQPUOCBLTGASMN-GUYCJALGSA-N 356.426 1.659 0 40 FDAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 57178363 SMTGPBCQWATPCX-TZMCWYRMSA-N 355.435 1.138 0 40 FDAB C[C@H](Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)C(=O)NC(N)=O 28364808 UXXXCMLQGAQONR-JTQLQIEISA-N 370.365 1.663 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)Nc3nc(CC(N)=O)cs3)CC2=O)cc1 10909330 NTFXLYVZRLNURE-GFCCVEGCSA-N 372.450 1.725 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 28875203 AEWBEHUTIUQLIJ-CQSZACIVSA-N 353.378 1.522 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 12846557 KWXWMOQKGHJTOP-ZDUSSCGKSA-N 364.405 1.640 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)nn12 12886827 YMYCVSDVJZMKEV-FMKGYKFTSA-N 359.430 1.919 0 40 FDAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)NC2CCCC2)cc1 3498756 FIVHOFUFIDEYBL-UHFFFAOYSA-N 360.443 1.831 0 40 FDAB CCOc1ccc(NC(=O)CN(C)C(=O)C2=COCCO2)cc1OCC 12931835 IEXCHODIYWICRD-UHFFFAOYSA-N 364.398 1.769 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC(=O)Nc1ccc(F)cc1 13041260 ZHZAGAOUDBHNMD-LBPRGKRZSA-N 372.400 1.822 0 40 FDAB N[C@H](CS[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O)C(=O)O 18077844 ODZCNACBSGCAKO-SCZZXKLOSA-N 362.329 1.482 0 40 FDAB Cc1c(C(=O)NCc2ccc(F)cc2)cnn1[C@H]1CCS(=O)(=O)C1 49658092 CCMSFWYJLMKKKU-AWEZNQCLSA-N 351.403 1.620 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1 5072000 AARFFLLQCNLKEZ-UHFFFAOYSA-N 364.471 1.734 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1C(=O)NC1CC1)CS2 14198516 BDWIGOTZIKEYFE-RDTXWAMCSA-N 359.451 1.971 0 40 FDAB NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2F)cc1 14196971 JSRYXTRDVFUZSW-UHFFFAOYSA-N 350.371 1.727 0 40 FDAB Cc1nc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cs1 65644173 UUMJVLWGRIUQNA-UHFFFAOYSA-N 354.409 1.732 0 40 FDAB Cc1ccc([C@H](OC[C@H](O)CN(CCO)CCO)c2ccccc2)cc1 6934307 PESGZSYNUJKTHH-NHCUHLMSSA-N 359.466 1.749 0 40 FDAB CCCn1c(S[C@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6979171 KIQZYJMUBVVWOD-LBPRGKRZSA-N 355.441 1.501 0 40 FDAB COc1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1OCCC(C)C 6992020 JTRIZOBRKRJGOR-UHFFFAOYSA-N 361.402 1.827 0 40 FDAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc[n+]([O-])cc1 7814355 ZUNISJHRYXALKS-UHFFFAOYSA-N 361.423 1.747 0 40 FDAB CC[C@H]1CCCCN1C(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9157772 JAUFSFYGAOSSEM-ZFWWWQNUSA-N 365.499 1.876 0 40 FDAB CCOc1cc2c(cc1CNC(=O)CSc1nnnn1C)O[C@@H](C)C2 8100733 QSQXEFWOZJOTLG-JTQLQIEISA-N 363.443 1.341 0 40 FDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3S(C)(=O)=O)c2C)c1 96000376 WZOSEHRZIVSJMK-MRXNPFEDSA-N 365.455 1.831 0 40 FDAB CCN(C)C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 96000259 ROOGQBWVMZRJIW-HNNXBMFYSA-N 365.499 1.114 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)OC)c2)C1 113972498 QMRIFNLWOFDTCU-CYBMUJFWSA-N 354.428 1.473 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1 19840773 VFSSPUDDZGDLHD-UHFFFAOYSA-N 367.515 1.328 0 40 FDAB CC(C)CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 9535945 XOKXCDFPDQRJOI-LJQANCHMSA-N 361.442 1.967 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 28284034 RWESBPSAZFIAQO-GHMZBOCLSA-N 373.456 1.576 0 40 FDAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)n(C)c2=O)ccc1O 96997943 QEQLJFGKFLUKCA-IPPJXQLGSA-N 357.387 1.246 0 40 FDAB CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1 97018072 DHQRPCRKZKICAT-SHQCLWGWSA-N 368.455 1.566 0 40 FDAB COc1ccc2nnc(CCCC(=O)NCCc3ccccc3OC)n2n1 72402748 TVHIPALXSWFXGF-UHFFFAOYSA-N 369.425 1.823 0 40 FDAB COC(=O)C1(O)CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 95455961 AVKZCQYQTGOBFC-UHFFFAOYSA-N 363.801 1.666 0 40 FDAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 89781021 QCKCYZNOYLTXFH-CYBMUJFWSA-N 368.368 1.897 0 40 FDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COc2ccccc2)cc1 67896932 HJNZFLHIOSCRLD-YLJYHZDGSA-N 370.405 1.595 0 40 FDAB biogenic,in-vitro O=C(N1CCCC1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306137288 QRWMXFLRJNBGNL-AWEZNQCLSA-N 365.455 1.165 0 40 FDAB Cc1nc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cs1 32779041 RYRATRATLFQHQS-UHFFFAOYSA-N 353.429 1.075 0 40 FDAB CCOC(=O)Nc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 217360376 OQDXIRSHIGFUBO-SNVBAGLBSA-N 362.429 1.184 0 40 FDAB Cc1cc(C)nc(NCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 36752763 RIHUKDQWNMHUBH-UHFFFAOYSA-N 354.414 1.725 0 40 FDAB CCc1nc(-c2cncnc2[C@H]2CCCN(S(=O)(=O)N(C)C)C2)no1 72356098 ALSKLCNGIHLAOY-NSHDSACASA-N 366.447 1.075 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NCc1ccco1 217594434 ZIRWHFSXCAZISH-UHFFFAOYSA-N 354.384 1.251 0 40 FDAB Cc1nnc2c(=O)n(CC(=O)NCc3ccc(F)cc3)c3ccccc3n12 64871460 KQGJXQYMXCKGMI-UHFFFAOYSA-N 365.368 1.808 0 40 FDAB CO[C@@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H](C(=O)O)C1 568290513 LJKPVXKHWXTALA-VXGBXAGGSA-N 361.354 1.529 0 40 FDAB COc1ccccc1[C@H](NC(=O)Cn1ccccc1=O)c1nccn1C 48289023 VCEBQFULVGDAPO-SFHVURJKSA-N 352.394 1.496 0 40 FDAB CCOc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222672733 OANQPMJMLXVEHO-UHFFFAOYSA-N 373.409 1.609 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)c3ccco3)CC2)N1S(C)(=O)=O 96208304 LSFBDOLXPASPBM-ZDUSSCGKSA-N 356.444 1.325 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccncc2)C1 248140603 BUNXXQDEGKHLST-RDJZCZTQSA-N 351.472 1.540 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCCn2ccnc2)n1 257280959 ONBXJZLFWMNGTN-QGZVFWFLSA-N 356.430 1.453 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCC4(CC=CCOC4)CC3)cc2o1 257276419 NTQXAVPUOGJWSZ-UHFFFAOYSA-N 364.423 1.869 0 40 FDAB Cc1ncc(CNC(=O)c2ccc3[nH]nnc3c2)c([C@@H]2CCCN2C)n1 257206614 BEEQYRVVRIHOTG-INIZCTEOSA-N 351.414 1.753 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)c3cncs3)C2)nc2c1CC(=O)N2C 257229172 FWZGHCKNCZORII-GOSISDBHSA-N 371.466 1.954 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260800674 UMPYEIQHMXILSF-HEHGZKQESA-N 352.456 1.621 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cn1 1775969964 USWWKZOQQJSXCS-LBPRGKRZSA-N 353.425 1.754 0 40 FDAB O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cn2c(n1)COCC2 626291687 RZPWOJRLZGLYIY-VIFPVBQESA-N 370.335 1.375 0 40 FDAB CC(C)Oc1ccc(=NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)[nH]n1 653543655 VTHJHCCBYAIPPR-SDDRHHMPSA-N 350.419 1.943 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)[nH]2)CC1 685941833 JICHBULWLDAYJN-AWEZNQCLSA-N 356.474 1.657 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)C[C@@H]1COC 585103665 LVOQQSOTAGNEGP-MRXNPFEDSA-N 365.449 1.810 0 40 FDAB Cc1cccc(C[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@@H]2O)c1 585280418 IGMDWHDHOUGBFJ-MOPGFXCFSA-N 354.450 1.999 0 40 FDAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cc2nnnn2C2CC2)C1 57265818 QRVNLMADDWOOLR-LBPRGKRZSA-N 353.473 1.259 0 40 FDAB COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 56098751 RCFPNBLHVRAPRV-JTQLQIEISA-N 352.387 1.973 0 40 FDAB CC(C)Cn1cc(C(=O)N2C[C@@]34CCCC[C@@]3(C2)CS(=O)(=O)C4)cn1 1551636217 IGADKSBWEKJWLM-QZTJIDSGSA-N 365.499 1.970 0 40 FDAB Cn1c(=O)n(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c2ccccc21 648063197 HAADAMODWPUSGT-UHFFFAOYSA-N 363.381 1.549 0 40 FDAB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)s2)C1 585325365 LOSZMNJCXNHSGK-UHFFFAOYSA-N 352.846 1.470 0 40 FDAB CC[C@@H]1CN(C(=O)c2cccs2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594875 CQXKKYVWDOUOOL-BZUAXINKSA-N 351.516 1.455 0 40 FDAB CCn1c(SCC(=O)N2CCOCC2)nc2c([nH]c3ccccc32)c1=O 5106458 KBZQMPOFUSKCJP-UHFFFAOYSA-N 372.450 1.849 0 40 FDAB C[C@H](Cn1nnc2ccccc21)NC(=O)CCn1c(=O)oc2ccccc21 12141895 WXBOAGBXWKDQMJ-CYBMUJFWSA-N 365.393 1.934 0 40 FDAB Cc1nonc1CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669140 GQAUOAASSUKFRN-UHFFFAOYSA-N 354.370 1.772 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 16740337 NGKFMGUKLWUXNT-UHFFFAOYSA-N 373.478 1.804 0 40 FDAB CCn1ccnc1CN1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 19578077 YDWBVKICHVMQPW-INIZCTEOSA-N 368.485 1.977 0 40 FDAB CCOc1cccc2sc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)nc12 19716573 GAEVOLIUMSMAFV-LLVKDONJSA-N 362.455 1.831 0 40 FDAB C[C@]1(C(=O)NC2CCCC2)CN(C(=O)c2ccc3nsnc3c2)CCO1 19746875 UPQMBKKZMLGDMJ-GOSISDBHSA-N 374.466 1.981 0 40 FDAB CCc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)C2=O)cc1 101273617 NWCFXBHTDSKQPG-ZIAGYGMSSA-N 364.423 1.203 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cccc(Br)c1C 643941506 ISPGQNHUHMLQLC-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB COc1ccccc1C1(CNC(=O)C(=O)NC2CCCC2)CCOCC1 16975490 ZSYWKNGTTIMIMY-UHFFFAOYSA-N 360.454 1.918 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(c5ncc(C)cn5)C[C@@H]4C3)nn12 1888897166 YNXRVKUGVFPGFO-KBPBESRZSA-N 350.430 1.358 0 40 FDAB CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 25266543 MIFDKGGNTSXQIB-LLVKDONJSA-N 360.483 1.774 0 40 FDAB Cc1cnc(OC[C@@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nc1 1776000920 PZZKDRAWKTYNRU-MRXNPFEDSA-N 371.441 1.276 0 40 FDAB COCCCN1CCC[C@]2(CCCN(C(=O)c3cnc(OC)cn3)C2)C1 2056224874 BRPJIDAOYQKREC-IBGZPJMESA-N 362.474 1.840 0 40 FDAB COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 793011 ARNPZHNRTUZSIO-UHFFFAOYSA-N 364.217 1.257 0 40 FDAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cccn(C)c1=O)C2 2055754562 AXJDFAXAPOSOFN-OAHLLOKOSA-N 356.426 1.285 0 40 FDAB Cc1cnn(CCN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 2086889411 TZOMSTWWXQJVGF-UHFFFAOYSA-N 352.446 1.298 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1nccnc1-c1ccncc1 585150644 GDZIEBRRUOSCAE-UHFFFAOYSA-N 373.372 1.451 0 40 FDAB O=C(c1cnn2c1OCCC2)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255484 QZRPKJQNKLAGRM-CYBMUJFWSA-N 365.393 1.902 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(F)c1 9827400 QKURNTKNVPSBDD-UHFFFAOYSA-N 366.418 1.381 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1C 30032179 DAJZZUANGGNZKA-UHFFFAOYSA-N 374.422 1.988 0 40 FDAB COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)Cn2ccnc2)C(C)C)cc1 40092453 BHLFKDNAOCUVEG-PBHICJAKSA-N 358.442 1.851 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCc3c(F)cc(F)cc32)C1 40090410 BSVCWIOQJRYNBY-LLVKDONJSA-N 358.410 1.916 0 40 FDAB O=C(CN1CCN(c2ccc(Br)cn2)CC1)N1CCCC1 51536987 HNCFLWJPUAPPEG-UHFFFAOYSA-N 353.264 1.589 0 40 FDAB O=C(CNC1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 902288 JEMZRKYHMNXBLX-UHFFFAOYSA-N 351.472 1.942 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3OC)nnc12 1419241 IYODYMYEZBJOCF-UHFFFAOYSA-N 356.342 1.144 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)NC1 18321130 WZKZXLSOEOLDKU-GFCCVEGCSA-N 351.186 1.244 0 40 FDAB Cc1ccnc2nc(C(=O)OCC(=O)NCc3cccc(Cl)c3)nn12 3362190 TUJUHXWFOUVNOU-UHFFFAOYSA-N 359.773 1.559 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 32745275 XDVRYGGWEXNWFA-QMMMGPOBSA-N 360.395 1.601 0 40 FDAB COc1cccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c1 6784622 AOQCAGGXSDVUKW-UHFFFAOYSA-N 351.409 1.874 0 40 FDAB NC(=O)CCn1c(SCC(=O)N2CCCC2)nnc1-c1cccs1 32895050 LVNMJASUDPMUOA-UHFFFAOYSA-N 365.484 1.597 0 40 FDAB O=C(NCCC(=O)N1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 52984210 DFUYXJLSABGTGY-UHFFFAOYSA-N 361.339 1.652 0 40 FDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2ccc3c(c2)OCC(=O)N3)C1=O 103608608 GTZLDZCFMUFCMH-OAHLLOKOSA-N 350.334 1.088 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)N1CCCCCC1 22877459 BRSIXXGOJYKADH-UHFFFAOYSA-N 364.534 1.409 0 40 FDAB NC(=O)Cn1c(SCC(=O)NC2CCCCCC2)nnc1C1CC1 23350584 CJLQEISEXQDMLX-UHFFFAOYSA-N 351.476 1.572 0 40 FDAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ncccn2)CC1 12391232 AHHVIKYJENGJSN-UHFFFAOYSA-N 354.439 1.995 0 40 FDAB COc1ccc(OCc2noc(CN3CCC[C@H]3C(=O)N(C)C)n2)cc1 24975196 HCLQYPYQLHWDBB-HNNXBMFYSA-N 360.414 1.710 0 40 FDAB COc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 25263352 LIFGDCPVKJHSMU-KRWDZBQOSA-N 357.410 1.470 0 40 FDAB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 107084444 FQJXPWRKAYTWFC-OFQRWUPVSA-N 368.499 1.756 0 40 FDAB O=C(COc1ccccc1)NCC(=O)Nc1ccccc1N1CCOCC1 12551368 SABQNPCZDGKZSH-UHFFFAOYSA-N 369.421 1.657 0 40 FDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(CCc2ccncc2)CC1 35310580 JZOBTVUPAQGRTJ-UHFFFAOYSA-N 367.421 1.909 0 40 FDAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3208382 HOVSVUNQBCAXFP-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c12 44723428 TWUZJMBPRRJVGH-NSHDSACASA-N 362.455 1.319 0 40 FDAB O=C(NCCNC(=O)c1ccco1)c1ccc(CSc2ncn[nH]2)cc1 23041694 IUTOOLUQYJNIAZ-UHFFFAOYSA-N 371.422 1.850 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C[C@@H](O)Cn3cccn3)CC2)cc1F 48234743 BIFZALSETQEUNP-GOSISDBHSA-N 374.460 1.720 0 40 FDAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1cccc(O)c1 3672357 SXWRBKOCOVMOQP-UHFFFAOYSA-N 371.378 1.797 0 40 FDAB O=C1NC2(CCCCCC2)C(=O)N1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 13008001 RFDFZZSBPLCIFT-AWEZNQCLSA-N 369.487 1.240 0 40 FDAB Cc1noc([C@@H]2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 64638327 MGOYADKKXZNZTH-CQSZACIVSA-N 358.398 1.603 0 40 FDAB CCOC(=O)C(=Cc1nnsc1N1C[C@@H](C)O[C@H](C)C1)C(=O)OCC 5242865 LQDQHIAGEIDISB-GHMZBOCLSA-N 369.443 1.661 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 14138588 RPBJRDPSMYBFBR-OAHLLOKOSA-N 363.421 1.640 0 40 FDAB O=C(CNC(=O)c1cccc(Br)c1)NO[C@@H]1CCCCO1 65623963 NWHVCTWHTQRKMY-CYBMUJFWSA-N 357.204 1.753 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1 6800794 OZRBEFWDMCMOHA-UHFFFAOYSA-N 363.424 1.656 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)C1CC1 7087780 FCXWEZBZOXNTLR-XYZCENFISA-N 351.353 1.647 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 70770269 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QJAGZLRCCZIRPN-INIZCTEOSA-N 367.453 1.936 0 40 FDAB COCCn1cnnc1SCC(=O)Nc1cccc(C(=O)OC)c1 24839247 SDEZWIRQPKYFCZ-UHFFFAOYSA-N 350.400 1.442 0 40 FDAB Cn1cc2c(n1)N(C(=O)c1ccccc1)CC[C@@H]2NC(=O)[C@H]1CCCO1 306124897 CBRCIZAFYMBLBI-JKSUJKDBSA-N 354.410 1.807 0 40 FDAB Cc1nnc([C@@H](C)N(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)o1 548353623 AYLLKQVZZKPRDU-XBFCOCLRSA-N 363.441 1.844 0 40 FDAB O=C(N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21)c1nc(N2CCCC2)ncc1Cl 1551450453 YWLFXVKWYLTKOR-SRRSOLGSSA-N 364.833 1.959 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@](O)(c1ccsc1)c1cccs1 238835636 GPWOTWAJOTZGGP-INIZCTEOSA-N 364.448 1.311 0 40 FDAB CNC(=O)c1nn(CC(=O)N2CCc3ccccc32)c(=O)c2ccccc12 40030866 LSSJWJXZSFTBLK-UHFFFAOYSA-N 362.389 1.345 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1 222961014 LHRVHGXFAZWAQV-UHFFFAOYSA-N 364.518 1.841 0 40 FDAB CN(C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225533998 YSRUQLBRNIXXGJ-AWEZNQCLSA-N 371.478 1.294 0 40 FDAB O=C(CCO)N1CC[C@]2(c3ccccc3)CN(c3ncccn3)C[C@@H]2C1 96083343 ULQKCPKWJRQHGG-FXAWDEMLSA-N 352.438 1.466 0 40 FDAB CC(C)Oc1ccc(CCNS(=O)(=O)N2CCC(C(=O)O)CC2)cc1 579105682 FYFWFGZUDLFKDK-UHFFFAOYSA-N 370.471 1.647 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(Cc4ccc(F)cc4)C[C@H]3N2C)CC1 96054221 OCCHUQFZKUGXHN-YTQUADARSA-N 360.477 1.104 0 40 FDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3CC(C)C)no1 96083099 WZZKHTMPEWCUDB-JKSUJKDBSA-N 369.487 1.343 0 40 FDAB COC[C@H]1CCS(=O)(=O)C12CN(CCOc1ccc(Cl)cc1)C2 247899724 VSOIRRHTJDVHPY-CYBMUJFWSA-N 359.875 1.854 0 40 FDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)c1 248006055 GWQDADXZKAZAIF-MRXNPFEDSA-N 374.466 1.560 0 40 FDAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)NC[C@@H]2CCOC2)CC1 583623924 NXMDHXNSORGRNL-HOCLYGCPSA-N 373.519 1.401 0 40 FDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)CCCn2cncn2)C1 257288677 PVDFOJZBTGXYRG-OAHLLOKOSA-N 357.462 1.396 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252528011 DXZXKXPLNYPOKN-JOCQHMNTSA-N 352.416 1.750 0 40 FDAB CCn1nc(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)cc1C 252498953 RRTAEUAZUHPFRV-JTQLQIEISA-N 350.400 1.732 0 40 FDAB Cc1cncc(CCNC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 661063994 HVPXQGFKWXUJOL-QGZVFWFLSA-N 371.416 1.567 0 40 FDAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)c2ccccc2)C1 96103423 CVYHINJTBQXBBF-AWEZNQCLSA-N 352.456 1.231 0 40 FDAB Cc1ccoc1C(=O)N1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 575406115 WABWRZAQOXGOEB-CQSZACIVSA-N 370.409 1.429 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3cnccc3C)CCO2)C1 575403340 IDGMZPGXCJXHLA-MRXNPFEDSA-N 354.472 1.880 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)cn1 585111419 AIUMQHYGMJSOHW-KRWDZBQOSA-N 357.462 1.462 0 40 FDAB Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(CC3CC3)C[C@@H]12 585106026 FTXDIGHSSWOTNX-CABCVRRESA-N 374.510 1.514 0 40 FDAB CN(C)[C@@]1(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CCSC1 683390788 DWUIDLVCTLSJSN-MRXNPFEDSA-N 366.512 1.883 0 40 FDAB CCCCN(C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1 56096856 XRUAWNWQJQKWDY-UHFFFAOYSA-N 351.476 1.950 0 40 FDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 56911046 YYVBWFRVLRWMCD-RDJZCZTQSA-N 367.453 1.689 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)OC 55037002 ADNYRPASIRNTFT-VXGBXAGGSA-N 352.456 1.985 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4ccc5[nH]ccc5c4)C3)nn12 585607451 PIYWHLVOYUWQJJ-UHFFFAOYSA-N 361.409 1.875 0 40 FDAB CCc1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ncn1 733187237 MXVGVMNMSFACOS-UHFFFAOYSA-N 357.439 1.310 0 40 FDAB Cc1ccc(-n2ncc3c2N(CC(=O)NC(C)C)C(=O)N2CCN=C32)cc1 19213417 WUQUPRGBSMNVDD-UHFFFAOYSA-N 366.425 1.708 0 40 FDAB NC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374369 MBLSLNHECAKNLG-ZDUSSCGKSA-N 364.833 1.352 0 40 FDAB CO[C@@H]1CN(CC(=O)N=c2ccn(C)[nH]2)C[C@]12C[C@@H](c1ccccc1)CO2 643587651 ITGSDQWYSARHIC-MBOZVWFJSA-N 370.453 1.054 0 40 FDAB CC(C)N1C(=O)N[C@@H]2CN(C(=O)CCc3ccc4c(c3)OCCO4)CC[C@@H]21 556737664 UQWWAGKPATVTDP-CVEARBPZSA-N 373.453 1.794 0 40 FDAB Cc1ccccc1OCC(=O)NC[C@H](c1cccn1C)N1CCOCC1 21152511 GIHCRIRMUMDHFC-GOSISDBHSA-N 357.454 1.902 0 40 FDAB CN([C@@H]1CCN(c2ncnc3cc(F)ccc23)C1)S(=O)(=O)C1CC1 1888865772 WEJIZPLZLSCFML-GFCCVEGCSA-N 350.419 1.772 0 40 FDAB Cc1nsc(N2CC[C@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888868605 OFOXPYHWBHKBFY-AWEZNQCLSA-N 352.485 1.887 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1888890067 IQTYBCXUEDCVTO-UHFFFAOYSA-N 370.486 1.819 0 40 FDAB CC[C@@H](C(=O)NCC1(OC)CCN(S(C)(=O)=O)CC1)c1ccccc1 1888896983 VBLIQPLMVPWBIH-MRXNPFEDSA-N 368.499 1.737 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)nn12 1888904306 NWYAXJZBXSWFGE-ZIAGYGMSSA-N 363.425 1.290 0 40 FDAB COc1cccc(NC(=O)CN2CCN(c3ccnc(OC)c3)C(=O)C2)c1 1888941897 KWRRRSSSMDJBKH-UHFFFAOYSA-N 370.409 1.386 0 40 FDAB Nc1nc(N)nc(COC(=O)c2ccc(COc3ccc(F)cc3)o2)n1 17539351 SKBAQIFJGQLLCE-UHFFFAOYSA-N 359.317 1.704 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC(Oc2cccnc2)C1 238869169 MMBGKWPDTOWNPO-CYBMUJFWSA-N 355.369 1.863 0 40 FDAB Cn1nccc1CN1CC[C@@H]2CN(C(=O)C3=CC=NC(=O)C3)C[C@@H]2CC1 2056223391 JATWQKQQHOCYIO-IYBDPMFKSA-N 355.442 1.018 0 40 FDAB O=C(CC1(O)CCC1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565544056 COIDEBYLEJRZLX-UHFFFAOYSA-N 359.470 1.580 0 40 FDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1ncc(Cl)cn1)CC2 1565554199 LZDNUVFOVQCKTB-UHFFFAOYSA-N 365.846 1.529 0 40 FDAB COC1(CC(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)CCC1 1565549222 RVWCSJCIXMSAOA-VQIMIIECSA-N 363.458 1.476 0 40 FDAB CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 4134845 UIFZICFEFVZAKD-ZDUSSCGKSA-N 355.442 1.887 0 40 FDAB O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1ccc(Cl)cc1Cl 4280180 RIYVBKKVWWUPBP-GFCCVEGCSA-N 365.213 1.374 0 40 FDAB CC(=O)[C@@H](C(=O)N(C)C)n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479153 PKQTUAGOLPFGDZ-AWEZNQCLSA-N 373.800 1.454 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2 10256174 CARTVUNEWHKKKJ-OAHLLOKOSA-N 374.418 1.324 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)cc1OC 10331129 SQZHDYCKPTWQTE-CYBMUJFWSA-N 361.398 1.654 0 40 FDAB O=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccc(F)c1 11743883 PDXMEYIMPXPLCU-UHFFFAOYSA-N 374.397 1.423 0 40 FDAB O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCc1cccs1 12878976 OASAIJPILPLRGG-NSHDSACASA-N 364.452 1.281 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2cn[nH]c2)CC1 2055745513 GBVPZXIUTSQJEP-UHFFFAOYSA-N 364.475 1.076 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](Oc2cccnn2)C1 225455945 MUAAACORQDROKP-KGLIPLIRSA-N 352.460 1.104 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cc(C(C)(C)C)n[nH]4)C3)nn12 585607562 QKCRRTOQNRVDQN-UHFFFAOYSA-N 368.445 1.414 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(=O)c3ccccc3o1)C2 606440883 YRPKFUCXWSSUGE-ZDUSSCGKSA-N 364.405 1.936 0 40 FDAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21 5271235 FFSHGJFXPMKAFR-UHFFFAOYSA-N 365.349 1.866 0 40 FDAB CC/C(N[C@@H]1CCCC[C@@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20267175 MBHCWENHJMABNB-GRTFKDCDSA-N 362.474 1.921 0 40 FDAB O=C(NCCNC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1 31767601 SXCVGBIAWRTJEZ-UHFFFAOYSA-N 354.193 1.842 0 40 FDAB CC(=O)N[C@@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2)C(=O)O 1721145 LAPLGDSKHNQRAZ-HNNXBMFYSA-N 352.346 1.816 0 40 FDAB CC(C)C[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 2038967 HGBFRHCDYZJRAO-NSHDSACASA-N 353.853 1.063 0 40 FDAB world CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc(Cl)c1O 4502631 AJDSOKALDZDVAW-LBPRGKRZSA-N 365.777 1.893 0 40 FDAB O=C(CN1C(=O)C(=O)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(F)c1 32777530 CQKYSQLUMSGHEV-UHFFFAOYSA-N 365.214 1.256 0 40 FDAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NC1CCCCCC1 32854142 KCDNRGXTZOMCMY-LLVKDONJSA-N 352.508 1.981 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)no1 2636894 TYLCFFOTTYCMDV-SFHVURJKSA-N 354.366 1.705 0 40 FDAB Cc1nnc(N2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)s1 107711896 LQBOZBHCSOICDP-CJNGLKHVSA-N 354.476 1.327 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100664363 FKZWULLRYFIHQO-OPFBACGJSA-N 352.390 1.687 0 40 FDAB CN1C(=O)C[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc21 32902588 QUYFHYZCTCBSLL-GOSISDBHSA-N 364.449 1.876 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)no1 32910776 AZXGCCGEMJXALG-SNVBAGLBSA-N 365.773 1.937 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cn2)c1 102608681 PBQSOYUQUYWTCE-NCOADZHNSA-N 353.378 1.607 0 40 FDAB CCn1c(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc21 102951126 WLKMGSYKUNAWHK-CHWSQXEVSA-N 352.394 1.946 0 40 FDAB CCOc1c(Br)cc(CNCCNC[C@@H](C)O)cc1OC 22076015 BPSRFXLUIGPIGG-LLVKDONJSA-N 361.280 1.916 0 40 FDAB COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1O 1000645 ZHESTPXJUQJKBT-UHFFFAOYSA-N 371.187 1.372 0 40 FDAB O=C(NC[C@H]1COCCO1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 54619956 LSGFQBQDAGEHMH-LBPRGKRZSA-N 363.364 1.784 0 40 FDAB COc1ccc(C)cc1CNC(=O)C1=NN(c2ccccc2)C(=O)CN1 24623291 UFHCYCRVEYULHF-UHFFFAOYSA-N 352.394 1.570 0 40 FDAB COC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(C)c1C 55415421 QNFISSOCOMTGRJ-UHFFFAOYSA-N 365.455 1.791 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nnc4n3CCC4)C2)cc1 25091580 PQWVDPSHCGRPJO-INIZCTEOSA-N 367.453 1.701 0 40 FDAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl 25209126 WKAGELPNASMGCE-UHFFFAOYSA-N 373.906 1.532 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1 1515101 SCFQJARPMPILHV-RYUDHWBXSA-N 356.831 1.832 0 40 FDAB COC(=O)c1ccc(N2CCN(c3ncnc4[nH]cnc34)[C@@H](C)C2)cc1 58217523 FGEBGHJGTDPLKP-LBPRGKRZSA-N 352.398 1.855 0 40 FDAB CCN(CC)[C@H](C)CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228243 XAVMQBOPFNEFGP-CQSZACIVSA-N 358.442 1.918 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 10640631 JJQFDVOCHIGQBI-CYBMUJFWSA-N 357.410 1.657 0 40 FDAB C[C@@H]1CN(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 28842743 JASZHNYVGJNDFJ-ZIAGYGMSSA-N 369.487 1.375 0 40 FDAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 12875144 YDAGIOQLOHZKHF-RMKNXTFCSA-N 362.411 1.143 0 40 FDAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 3480324 UQEBRULHASJNNG-CQSZACIVSA-N 368.418 1.809 0 40 FDAB Cn1nnnc1SCc1cc(=O)n2cc(Br)ccc2n1 3513086 YXCJNKUYKVLFHV-UHFFFAOYSA-N 353.205 1.273 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 3505485 SBQNRERDWUHZDV-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1 12937016 CNDLYZQPHFVFMB-INIZCTEOSA-N 364.423 1.758 0 40 FDAB Cc1cccc(COCC[C@H]2CCOC23CN(C(=O)c2cc[nH]n2)C3)n1 306123880 AZKXOQKUAKQOGC-HNNXBMFYSA-N 356.426 1.951 0 40 FDAB C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 14197877 JHBLMHZZTKWMNI-KBXCAEBGSA-N 360.479 1.963 0 40 FDAB CCN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 65859730 NLGNWWRGDGHVMD-SFHVURJKSA-N 364.511 1.934 0 40 FDAB NC(=O)C1CCN(c2cnn(Cc3ccc(F)cc3)c(=O)c2Cl)CC1 6669877 DDKLENZSJLBWNC-UHFFFAOYSA-N 364.808 1.786 0 40 FDAB CCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 21870302 LYGLPODXPDNZBQ-UHFFFAOYSA-N 366.487 1.765 0 40 FDAB Cc1cc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 9112625 BUWSTDXTDJTNPZ-NWDGAFQWSA-N 357.501 1.692 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnnn2C2CC2)c1 9549044 LAQQVRLMZQOWAA-JTQLQIEISA-N 363.443 1.995 0 40 FDAB CCN1CCN(Cc2nc(N)nc(Nc3ccc(OC)cc3OC)n2)CC1 19944409 VOYVKAYVLYBMEK-UHFFFAOYSA-N 373.461 1.352 0 40 FDAB C[C@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 72285017 ZMDMNMDMAXMNPM-JXFKEZNVSA-N 359.470 1.938 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC1CCCCCC1 72401390 SGYUWXCATATSAH-UHFFFAOYSA-N 360.462 1.147 0 40 FDAB C[C@@H](NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1nncn1C 84668029 IKVHOZGURCTRMA-PIGZYNQJSA-N 366.466 1.869 0 40 FDAB CCC[C@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)CCN1CCOC 95452152 YYTQUGMHCJYQED-HNNXBMFYSA-N 361.442 1.554 0 40 FDAB CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(C)C1 20464408 UZHKUTACUHRTTJ-STQMWFEESA-N 373.413 1.918 0 40 FDAB biogenic,in-vitro O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(F)c(F)c1F 548529380 GPNWHBUNKIPLDW-APPZFPTMSA-N 353.318 1.262 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCCCOCC(F)(F)F)cc1 32809035 HXPXHEXPPZXNIH-UHFFFAOYSA-N 355.338 1.425 0 40 FDAB COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(C)c1 33716804 WOPWPXHOQBNLHX-UHFFFAOYSA-N 369.377 1.475 0 40 FDAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc21 225866664 SKPBFGKIXOFSEF-UHFFFAOYSA-N 364.471 1.411 0 40 FDAB COc1ccc2c(c1)CN(C(=O)c1cnccn1)CC[C@H]1COC(=O)N21 225491762 BPCQYCRUTQKTDU-ZDUSSCGKSA-N 354.366 1.857 0 40 FDAB biogenic,in-vitro O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)[C@@H]1CCCO1 85470471 YROTZVSYKKOEJI-KRWDZBQOSA-N 353.426 1.921 0 40 FDAB O=C(Cc1ccccc1)N1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240943 UWUJQLFLDUCJFD-GOSISDBHSA-N 372.465 1.343 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1cccnc1)C2 96230455 ZFVBQXQZKUTBGC-NRFANRHFSA-N 364.449 1.921 0 40 FDAB COc1ccccc1CN1CC2(C1)OCC[C@H]2CCNS(C)(=O)=O 248156584 ZDQNDQMTPWFPHI-OAHLLOKOSA-N 354.472 1.225 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN1C[C@H](C)O[C@@H](C)C1 248328571 BTHVVWMTLAJHEY-LJIGWXMPSA-N 369.469 1.735 0 40 FDAB COCc1c(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)noc1C 257212428 CDKAAENVCBBMKL-OAHLLOKOSA-N 359.430 1.958 0 40 FDAB Cc1cc(=NC(=O)NCCN=c2cncc[nH]2)[nH]n1-c1ccccc1Cl 537528120 ORLLVGKHIMVBTI-UHFFFAOYSA-N 371.832 1.702 0 40 FDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)CC3CCOCC3)CC[C@H]21 257240471 HTQVOUSHEMDLBG-DLBZAZTESA-N 352.475 1.679 0 40 FDAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 257333366 YBGOALXCSGAPFD-GOSISDBHSA-N 369.465 1.585 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2cccnc2-c2ccnn2C)CC1 257212968 CFPYTCRIWCWWKI-UHFFFAOYSA-N 363.487 1.543 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257344336 ZWTOHJWPIQSYMS-HNNXBMFYSA-N 355.398 1.030 0 40 FDAB CN1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3ccn(C)n3)CC[C@H]21 257274879 NNALCVMGJBEPDM-KZNAEPCWSA-N 353.470 1.778 0 40 FDAB Cc1noc(C)c1CN1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 252017666 WJISVVKJHQHOTC-IEBWSBKVSA-N 365.474 1.374 0 40 FDAB Cc1cc(Br)ccc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 643997520 JYOONFFYBWRMFW-OAHLLOKOSA-N 355.232 1.600 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O 90591327 AMGLGMHEZPZBGV-UHFFFAOYSA-N 372.303 1.416 0 40 FDAB CO[C@@]1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCSC1 96097631 AVBLFMBDAUUXEK-OAHLLOKOSA-N 358.485 1.189 0 40 FDAB CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 96025323 FLZIQIBMFXNOPJ-LLVKDONJSA-N 373.374 1.393 0 40 FDAB CC(C)c1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)cc1 575423686 PUTBTXSKQOMGDQ-INIZCTEOSA-N 374.528 1.255 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccncc2)cn1 585094688 HORZTJLDUUQIPF-QGZVFWFLSA-N 352.442 1.692 0 40 FDAB Cn1cc(C(=O)N2CC[C@H]3OCC[C@@]3(C(=O)NC3CC3)C2)c(C(F)F)n1 585108533 QJNIEHVJHQVZKJ-SJKOYZFVSA-N 368.384 1.258 0 40 FDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)CCS(C)(=O)=O)CC3)O2)n1 585113469 NHOKKZQJOKNWRG-LBPRGKRZSA-N 357.432 1.025 0 40 FDAB CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCCO1 670303331 VWZAZJOWZIIDNC-RRFJBIMHSA-N 370.519 1.984 0 40 FDAB CC[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594890 DTJVJMWNPQOHLT-NJDAHSKKSA-N 373.541 1.712 0 40 FDAB Cc1cc2nnn(C[C@@H](C)NC(=O)Cn3nnc4ccccc43)c2cc1C 12145307 PUJSFQSYXTYYLQ-CQSZACIVSA-N 363.425 1.998 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 13571495 JMUCLAFDVROECS-UHFFFAOYSA-N 372.406 1.666 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1ccncc1 16187993 NDNOHCLHAVIMDY-UHFFFAOYSA-N 367.402 1.166 0 40 FDAB COc1cc(C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)nc(OC)n1 19550349 JWUKKHBBWXJDGJ-UHFFFAOYSA-N 361.789 1.996 0 40 FDAB CN(C)c1ncc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1C 644901443 PSKBLKMFPNFATH-UHFFFAOYSA-N 366.469 1.925 0 40 FDAB CC(=O)N1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1 14034056 VTOAALVAWMUMMY-ZDUSSCGKSA-N 364.471 1.094 0 40 FDAB CC(C)CCNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13006246 BCCPVXKUWAYTDT-OAHLLOKOSA-N 351.472 1.912 0 40 FDAB O=C([C@H]1CCCN(Cc2nnc([C@H]3CCOC3)o2)C1)N1CCSCC1 1888857008 MQUGXQLVMHOEMI-KBPBESRZSA-N 366.487 1.361 0 40 FDAB O=S1(=O)CCC(CN2CC(Cn3cc(Br)cn3)C2)CC1 1889070461 AFOSWXFYXIVUMV-UHFFFAOYSA-N 362.293 1.402 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889148817 XFNKUXZPGRTPFD-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB O=C(c1cncn1-c1ccccc1)N1CCN(CCN2CCCC2)CC1 22921735 LZMKGYLRAZSYOU-UHFFFAOYSA-N 353.470 1.726 0 40 FDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)c1ccno1 1775963919 JSUVFGPTLXHEMT-LBPRGKRZSA-N 368.353 1.246 0 40 FDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1776001183 CWXIZRGVGSGSRB-UHFFFAOYSA-N 362.430 1.897 0 40 FDAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc2nsnc2c1 239612038 FIEFVXZAXOWHSU-UHFFFAOYSA-N 351.395 1.812 0 40 FDAB CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 2037742890 HNCDGVKESPLEPC-GUDVDZBRSA-N 355.438 1.531 0 40 FDAB Cc1ccnc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)n1 2037978295 NVAGFVUOIBGJHH-WBVHZDCISA-N 366.421 1.679 0 40 FDAB Cc1ocnc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984445 BOFSILJPIRZGQK-ZBFHGGJFSA-N 355.394 1.877 0 40 FDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2C1 2056224525 LMVVQBJYIJWTFK-HOTGVXAUSA-N 361.471 1.393 0 40 FDAB O=C1C[C@@H](Cn2cc(C(=O)N3CCCC3)nn2)CN1Cc1ccccc1 2086992570 JCSYPRCXQVIVGL-MRXNPFEDSA-N 353.426 1.563 0 40 FDAB O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2)CN1 4727369 MOSFALXGEKQAPR-CQSZACIVSA-N 358.419 1.878 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H](NCCCOC)C(=O)O)cc1 4939603 RVCZNMFPWOPFIK-AWEZNQCLSA-N 352.387 1.271 0 40 FDAB COCCNC(=O)CSc1nnc2n1CCN2c1ccc(OC)cc1 9574052 QKAMLDRCYGRYKN-UHFFFAOYSA-N 363.443 1.293 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Oc2ccncn2)C1 575607357 BQZSVBXDEQYEQK-CQSZACIVSA-N 365.393 1.257 0 40 FDAB CC(C)(N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144260 HSUVMOKVYDNMDX-UHFFFAOYSA-N 357.458 1.271 0 40 FDAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100080796 KVROIWLPPJSCGQ-NWDGAFQWSA-N 356.831 1.596 0 40 FDAB biogenic C[C@@H]1CN(S(=O)(=O)CCNc2ncnc3ccsc23)C[C@@H](C)O1 29625462 ISOWLCPEOJCDNS-GHMZBOCLSA-N 356.473 1.542 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-n1cnnn1 20733708 ATCLUGHLXJUGKU-HNNXBMFYSA-N 351.366 1.176 0 40 FDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCCN(C)C)n3)ccc12 20714915 ONARHKVDFQKBPZ-UHFFFAOYSA-N 372.381 1.355 0 40 FDAB biogenic CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccccc2OC)C1 21044811 FGYNIIMFLKBBCD-AWEZNQCLSA-N 362.426 1.617 0 40 FDAB Cn1c(=O)c2c(nc(SCC(=O)c3cccs3)n2C)n(C)c1=O 4162157 AEFQGHTYPQHXHK-UHFFFAOYSA-N 350.425 1.007 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c1 2631570 XZSICZJEMRSYPO-LBPRGKRZSA-N 354.428 1.010 0 40 FDAB CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 4921306 AOHYQGVMTDLXSL-XIYVOTBMSA-N 374.433 1.882 0 40 FDAB COC(=O)C(=O)[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC 6384794 LNVMKHISVRWPDN-JTQLQIEISA-N 361.272 1.565 0 40 FDAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3n[nH]c4ccccc34)nnc12 8392826 HLUGGFOHYQREBZ-UHFFFAOYSA-N 374.360 1.815 0 40 FDAB O=C(c1cc(N2CCCCS2(=O)=O)ccc1Cl)N1CCOCC1 12195312 GBTMDNMECITPMH-UHFFFAOYSA-N 358.847 1.742 0 40 FDAB O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 53046001 HPFLVTSWRFCPCV-UHFFFAOYSA-N 369.513 1.931 0 40 FDAB investigational C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2cncn2)cc1 9613685 HGQUJXSBOADGPE-CYBMUJFWSA-N 360.381 1.734 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCCn1cnc2ccccc2c1=O 33549715 GYKLMRHRNCAEEZ-UHFFFAOYSA-N 350.378 1.914 0 40 FDAB biogenic Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22912451 PDQXAGNUGBDLCP-UHFFFAOYSA-N 364.877 1.483 0 40 FDAB COC(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c(C)c1 23152999 YSDORILUHCIVSF-UHFFFAOYSA-N 351.366 1.939 0 40 FDAB Cc1nn(C)c2ncc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc12 23756896 KRTQZSIIZNQGGZ-UHFFFAOYSA-N 366.425 1.438 0 40 FDAB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612532 GIQLLFLQHRUZNF-ZDUSSCGKSA-N 372.462 1.519 0 40 FDAB CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 26319303 KUOVNYYJXGGGES-UHFFFAOYSA-N 374.415 1.808 0 40 FDAB COc1cc([C@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc(OC)c1OC 35326504 OMAMLFIQFDEOSH-AWEZNQCLSA-N 357.366 1.814 0 40 FDAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N[C@H](C)CO)CC2)cc1 57637591 YTIULNPAIKPMQL-CYBMUJFWSA-N 369.487 1.129 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 3399401 ZYYUTMJNZOVUDW-UHFFFAOYSA-N 355.398 1.640 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 58170894 QMSRQHAJNDNGNI-HNNXBMFYSA-N 352.456 1.722 0 40 FDAB CN1CCN(c2ccc(Cl)cc2NC(=O)C2=NN(C)C(=O)CC2)CC1 58167452 YOQLYFCSUUOFDJ-UHFFFAOYSA-N 363.849 1.639 0 40 FDAB COc1ccc(Cl)cc1NCCC(=O)N[C@H](C)CN1CCOCC1 58201642 GMNJRWVJHJAPOX-CYBMUJFWSA-N 355.866 1.988 0 40 FDAB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccccc1)CN=2 2233632 NWOURBYDIHFWRT-NXVVXOECSA-N 362.414 1.116 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36390196 BUUBJRVDIMGTHH-UHFFFAOYSA-N 374.416 1.756 0 40 FDAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCC(C(N)=O)CC1 2435941 YJRVKPMIOOOWBZ-UHFFFAOYSA-N 372.425 1.399 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1 3421991 OZXGUXYTHKRCDZ-UHFFFAOYSA-N 353.850 1.833 0 40 FDAB CN(CC(=O)N1CCOCC1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 12971990 AUVXELHFSDLAQZ-UHFFFAOYSA-N 371.393 1.463 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](C(=O)Nc1cccc(Cl)c1)CC(O)=N2 17028864 GRIWDBAQVPGLMA-SNVBAGLBSA-N 362.773 1.451 0 40 FDAB C[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 5016416 KETQIEVWCBZUAN-GFCCVEGCSA-N 363.443 1.002 0 40 FDAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cccnc1 8744453 SVJUQLMNQKZPGB-UHFFFAOYSA-N 353.382 1.256 0 40 FDAB COC(=O)Cn1c(=O)c2c3c(sc2n(C(C)C)c1=O)COC(C)(C)C3 6760182 SNUYJYHYRWZXJY-UHFFFAOYSA-N 366.439 1.830 0 40 FDAB CCOc1cc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)ccc1OC(C)C 18219259 MDFPIOLALPQXNH-UHFFFAOYSA-N 357.370 1.265 0 40 FDAB O=C(O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1)c1ccccc1 4993881 CCNVUYNCAXIZSY-SQNIBIBYSA-N 364.401 1.554 0 40 FDAB biogenic CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1Cl 15298877 XFJUHWFDLLFPNF-LLVKDONJSA-N 362.854 1.604 0 40 FDAB COC(=O)C1CCN(C[C@H](O)COCc2ccc(OC)c(OC)c2)CC1 7015400 HUCFZGKMQIOFDQ-INIZCTEOSA-N 367.442 1.466 0 40 FDAB CC1=C(C(=O)N(C)Cc2nccn2C)[C@H](CCc2ccccc2)NC(=O)N1 67771367 QYMAAGCKOOCYFG-INIZCTEOSA-N 367.453 1.967 0 40 FDAB C[C@@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7938073 NCGPLEOKZOJWBG-VXGBXAGGSA-N 352.412 1.561 0 40 FDAB CCCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 16428472 PRIUSLPMOBOILZ-UHFFFAOYSA-N 357.451 1.048 0 40 FDAB CN1CCCc2ccc(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)cc21 95946050 WSLIOIFDMZFOAH-QGZVFWFLSA-N 360.479 1.951 0 40 FDAB Cc1nnc(CN2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)o1 95999751 WEBHNWYQZJAEDJ-QGZVFWFLSA-N 355.442 1.691 0 40 FDAB O=C(CO)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 89548229 KPEBMQZXKBQPAW-QWHCGFSZSA-N 356.344 1.472 0 40 FDAB C[C@@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)n1nnc(-c2ccccc2)n1 79617822 RIUQSVWGVPDCPC-BBRMVZONSA-N 367.413 1.915 0 40 FDAB COc1cccc2c(NCc3nc([C@H]4COCCN4C)n[nH]3)ccnc12 1553840226 FWZAWJMWCZVHTA-CQSZACIVSA-N 354.414 1.977 0 40 FDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOCC)cc1 408554342 CLBICVXUPAFQMA-UHFFFAOYSA-N 372.487 1.687 0 40 FDAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 31675595 HLLWXUKFADWLRW-UHFFFAOYSA-N 364.379 1.173 0 40 FDAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1-n1cnnn1 36352904 GJGBQBCJVZUMMX-INIZCTEOSA-N 353.338 1.449 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72354756 JAABFAWMGLDNFH-CQSZACIVSA-N 365.434 1.808 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 32641472 IZJCPHFPJKJNSQ-CQSZACIVSA-N 373.858 1.461 0 40 FDAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N[C@H]1CSC[C@@H]1O 36635282 LRSBSEDSEOGQGJ-SDDRHHMPSA-N 352.437 1.238 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccn2)C(=O)C1)OCc1ccccc1 1565523544 QGAZGJIBWWCKAV-UHFFFAOYSA-N 368.393 1.183 0 40 FDAB CCOC1CN(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1 566054159 SRWXHSNJTWTPHN-UHFFFAOYSA-N 350.463 1.934 0 40 FDAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(N)cc1 225314607 REJYEIYRHVWLKF-UHFFFAOYSA-N 350.396 1.646 0 40 FDAB CN(C)CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cn1 225925853 LAWPRWXAUCQPQN-UHFFFAOYSA-N 360.458 1.609 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2nnc(SC)s2)s1 224478728 SFAHCNQFZIDTIC-UHFFFAOYSA-N 366.475 1.261 0 40 FDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 96223480 MHCAFLUVNWRRPQ-XJKSGUPXSA-N 352.460 1.029 0 40 FDAB CC(C)Nc1nc(N2CCCC2)nc2c1CCN(S(C)(=O)=O)CC2 96254635 IAICZBKYPQEKFF-UHFFFAOYSA-N 353.492 1.257 0 40 FDAB O=C([C@H]1CCCO1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239966 WDQUULGGUCSYTF-GOSISDBHSA-N 359.470 1.702 0 40 FDAB CCc1ccc(C(=O)N2CCCn3nnc(CN4CCOCC4)c3C2)cc1 96259612 MNYPCBHPXNWENC-UHFFFAOYSA-N 369.469 1.719 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)[C@H]4CCCO4)C3)C2=O)n1 96224728 RWWFMBMGNQRSRS-XLIONFOSSA-N 357.454 1.910 0 40 FDAB O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96040424 ZYJHYZIUQMVHDU-LPHOPBHVSA-N 354.410 1.962 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230410 QXYJPYRNFVYREE-NXEZDXNNSA-N 360.410 1.282 0 40 FDAB Cc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C(=O)C2CC2)C3)n1 247873925 NDACZDYYRQTDHL-HNNXBMFYSA-N 364.467 1.332 0 40 FDAB CCc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2cc(C)ncn2)C1 257301935 SAQNSDYDNDDTCH-SFHVURJKSA-N 359.430 1.405 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)CC1 257262235 LKRLJWKRLBKTBE-ZOBUZTSGSA-N 358.486 1.986 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CCn2nccc2C)n1 257309356 UAQBWNIBGWVMHE-SFHVURJKSA-N 355.442 1.976 0 40 FDAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCCN2CCOCC2)c1 257300552 RUSLHVAIZPMJSB-UHFFFAOYSA-N 368.481 1.872 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccsc2)C1 257269906 MRXRIOPYZSMJEJ-LLVKDONJSA-N 353.469 1.970 0 40 FDAB CN(C)c1cc(CC[C@H]2CN(C(=O)Cc3cccnc3)CCO2)ccn1 257220682 DLSAJTNNHKFBIB-SFHVURJKSA-N 354.454 1.945 0 40 FDAB CCCn1nccc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257331121 XRLQAJQCKHGEMN-AWEZNQCLSA-N 363.487 1.964 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C(=O)N3CCCC3)cc2)CC1 267478327 XDASGAISGWNPDN-OAHLLOKOSA-N 373.453 1.381 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)ccc1F 378212221 SISQBAOQEYOTPF-GFCCVEGCSA-N 366.370 1.761 0 40 FDAB O=S(=O)(C[C@@H]1COc2ccccc2O1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 641537448 XYKMHHDLFDVAJL-XQLPTFJDSA-N 353.440 1.249 0 40 FDAB Cc1ccc2ncc(CNC[C@@H]3CC(=O)N(C)[C@H]3c3nccn3C)n2c1 671435240 HTDCWWBWLBFKTR-KBXCAEBGSA-N 352.442 1.685 0 40 FDAB CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C(CNC(=O)Cc3c[nH]c4cnccc34)[C@H]2C1 1726170106 MKLLNVAFXQTMHK-DGCUDZEOSA-N 366.465 1.972 0 40 FDAB Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC3CCN(c4ccccn4)CC3)C2)n1 1775957740 KTPQQAZLAVRZHS-ZMSDIMECSA-N 357.458 1.886 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cnn(C(C)C)c2C)C1 1775957097 CIBWJANVNDOZHA-HIFRSBDPSA-N 358.446 1.912 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1ccc2nccn2c1 1775957337 OSBGCGCOCJSXOC-STQMWFEESA-N 356.386 1.254 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612523 QJNNSPLYGIRIGL-CQSZACIVSA-N 370.361 1.563 0 40 FDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 575402924 DSYXZFANNYVEJF-INIZCTEOSA-N 372.425 1.524 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 585293091 WPVGBVKQYMVXPP-SZTZYQKNSA-N 367.457 1.834 0 40 FDAB COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C 585098598 ZPFMYBGZQLNMLL-OAHLLOKOSA-N 358.442 1.633 0 40 FDAB Cc1cnc(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cn1 58180329 VMOYLDRCDJTONJ-GFCCVEGCSA-N 355.316 1.974 0 40 FDAB CCNC(=O)NC(=O)CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 58166447 GLZJEAAUSUZCST-QGZVFWFLSA-N 354.410 1.802 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154148 DNCILSWCUAOAOP-LJQANCHMSA-N 370.384 1.654 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)NCc1ccccc1 5035284 MLZGYBZUKNMTIP-UHFFFAOYSA-N 368.422 1.780 0 40 FDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O 5415552 LTLGHWWAISDESV-JFGNBEQYSA-N 369.830 1.977 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 5861903 MFKPYASVZNUPKO-GEEKYZPCSA-N 358.394 1.673 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12257003 NNXGWFDKACTRCO-CABCVRRESA-N 354.410 1.987 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc2c(c1)OCO2 12659093 DWJJQARABRSEOA-UHFFFAOYSA-N 353.334 1.947 0 40 FDAB Cc1cc(C)n(CC(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)n1 19573451 HMPWZKAWBJGAAO-UHFFFAOYSA-N 370.457 1.148 0 40 FDAB NC(=O)c1cc([C@@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 19759343 FFCHVPZNOFPMOV-SFHVURJKSA-N 362.389 1.942 0 40 FDAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)C2 19767331 ZVQPGHRBFFRLOI-INIZCTEOSA-N 371.416 1.686 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1 19900200 XOLOLYHIFVYQEM-UHFFFAOYSA-N 353.488 1.080 0 40 FDAB O=C1CC[C@@H](C(=O)NCCOc2ccc(-c3ccccc3)cc2)NC(=O)N1 19716710 FQEFLQPUZXMEQV-KRWDZBQOSA-N 367.405 1.837 0 40 FDAB Cn1ccc(CN2CCN(c3nc(O)cc(C(F)F)n3)CC2)cc1=O 1888855764 HTKUNJGVYWKVNF-UHFFFAOYSA-N 351.357 1.141 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)nn12 1888910724 YKYRQJUTWDBXBX-IYBDPMFKSA-N 362.437 1.895 0 40 FDAB Cc1noc(-c2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)n1 24781899 GLGHGEBMMDMMMO-UHFFFAOYSA-N 364.427 1.153 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1C 2037916254 ZOJYEECYCVGSNQ-FQEVSTJZSA-N 372.469 1.881 0 40 FDAB O=C([C@H]1CN(c2ncnc3cnccc23)CCO1)N1CCC(F)(F)CC1 2086952842 HHNGEUJPCMCZDV-CQSZACIVSA-N 363.368 1.488 0 40 FDAB O=C(c1csnn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565544343 IPYWIQLEUNGDRA-UHFFFAOYSA-N 365.484 1.502 0 40 FDAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)CCc2cncnc2)n1 1565548415 CNOHWPRCZFUFDT-RBUKOAKNSA-N 351.454 1.988 0 40 FDAB COCCN1CC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)CC1=O 1565545296 CSRSGXKPGZXURF-UHFFFAOYSA-N 366.408 1.995 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCCn2c(nnc2Cn2ccnc2)C1 1565553507 BISCDYBEONYWNL-UHFFFAOYSA-N 353.386 1.434 0 40 FDAB CC1CCC(C(=O)N2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)CC1 1565550515 CARXZCSNRZXCER-RLNQZENFSA-N 372.469 1.745 0 40 FDAB CCOC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 2724006 GUXCSCDPHPHKHL-UHFFFAOYSA-N 352.391 1.539 0 40 FDAB CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ncccn1)C(F)(F)F 3103585 YQRUGDNBDOIHAB-ZDUSSCGKSA-N 358.276 1.733 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5252060 LRSNUTKNLAXIAR-LBPRGKRZSA-N 369.425 1.539 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccccc2)C1 2055772585 ZCYDQBLWWBBHGN-IBGZPJMESA-N 356.426 1.368 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(Cc5noc(C)n5)C[C@H]4C3)ncnc21 2086865164 QPRWFZKKWLNTFJ-STQMWFEESA-N 354.418 1.106 0 40 FDAB O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ccccc2F)CC1 44121634 VJVFJUNTJBFLBP-UHFFFAOYSA-N 354.345 1.628 0 40 FDAB C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 12346994 SPBGVRGAJXNYKV-CPFSXVBKSA-N 356.209 1.824 0 40 FDAB C[C@@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@@H](C)O1 40087463 YQLIPABMYJEJPL-ZIAGYGMSSA-N 355.442 1.598 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 40150058 MIJXTTGKRMGLHO-GFCCVEGCSA-N 359.835 1.107 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCO1 51164289 MSVMYXNUNOLEEU-MRXNPFEDSA-N 352.456 1.609 0 40 FDAB COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)N(C)C)c1 20573579 QOWGIKASGRFAHB-UHFFFAOYSA-N 351.447 1.520 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 787799 OTUFBCQLJXRCDZ-UHFFFAOYSA-N 374.461 1.326 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 2458604 AUYFZVWCDPWHLQ-XJKSGUPXSA-N 370.471 1.535 0 40 FDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2C=C[C@H]1C2 6741680 AGMFVBZHNYTSQB-FZCLSBEQSA-N 358.413 1.993 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1 6742580 ZYNHHNSCGDFQLP-ATLSCFEFSA-N 358.413 1.993 0 40 FDAB COCCN(CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 32836214 FKDCHMTYLKVXBN-CQSZACIVSA-N 360.863 1.414 0 40 FDAB COc1ccc(OC)c2c1CN(Cc1nc3ccccc3c(=O)[nH]1)C[C@H]2O 32836281 XRFOLLPWHDFXFP-OAHLLOKOSA-N 367.405 1.990 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1C 10301216 TTZDHWMODQFSMJ-UHFFFAOYSA-N 366.439 1.924 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(F)cc2)CC1 32907640 AAYYDQMEVQQMMT-UHFFFAOYSA-N 370.446 1.719 0 40 FDAB COCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 8475756 DZBXKUJVPATRHU-UHFFFAOYSA-N 370.471 1.682 0 40 FDAB CN(C)CCN(CC(F)(F)F)C(=O)Cn1cnc2sccc2c1=O 32915663 VSGLABMQCCBJGM-UHFFFAOYSA-N 362.377 1.411 0 40 FDAB COCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(C2CC2)C1=O 103006855 ZPJUGOWDYFVCNG-QGZVFWFLSA-N 373.453 1.480 0 40 FDAB CN(CCCNC(=O)c1ccc(Br)s1)S(C)(=O)=O 41948962 LNHMIZFKMIVKCC-UHFFFAOYSA-N 355.279 1.522 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)CSc3nncn3C)cc2)CC1 12322162 QJZVYFVROVYARB-UHFFFAOYSA-N 374.470 1.214 0 40 FDAB CCOC(=O)C1=C(COC(=O)C(C)C)NC(=O)N[C@@H]1c1ccc(C)o1 23014470 CVQLPLGWLHUTDS-CQSZACIVSA-N 350.371 1.958 0 40 FDAB CCN1CCc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1 21294131 QXPNIAIYLSZDOX-UHFFFAOYSA-N 369.450 1.870 0 40 FDAB O=C(CNC(=O)NC1CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 54366985 WRFWKXVKQRVDMB-QGZVFWFLSA-N 367.453 1.887 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 23754754 CRJGGGLPDGNRSB-UHFFFAOYSA-N 365.455 1.807 0 40 FDAB COc1ccc(OC)c(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 20048380 QJROCIYJPIVSFU-UHFFFAOYSA-N 370.471 1.871 0 40 FDAB O=C1CCCN1CCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1 25777751 VBEUQMPYPQBFCW-UHFFFAOYSA-N 366.487 1.681 0 40 FDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(COCC(F)(F)F)cc1 44723149 TVPICBGXJKTHED-LBPRGKRZSA-N 365.373 1.930 0 40 FDAB Cc1c(OCC(=O)NCc2ccc(Cl)cc2)c(=O)ccn1CCO 44892527 UYMNQKNMHYNRCR-UHFFFAOYSA-N 350.802 1.498 0 40 FDAB COCCN(CCOC)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 8391914 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FDAB CCOc1ccc(CN2C[C@@H](CC(=O)N(C)C)[C@@H](OC)C2)cc1CO 585278670 QGNXKYFQJVDXSJ-QAPCUYQASA-N 350.459 1.503 0 40 FDAB Cn1cc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615159406 WOOYEIZNZJDLQY-IBGZPJMESA-N 358.417 1.957 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)c2cccc(F)c2)nn1 1549161612 NHXVRGLOOGAOHF-SQWLQELKSA-N 362.405 1.273 0 40 FDAB CCn1cc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1 12187988 ZTQHRBNHSBUFQE-UHFFFAOYSA-N 364.427 1.363 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)CCNC(=O)c1ccnc(N(C)C)c1 19496409 MDCZBESOUURCIE-CYBMUJFWSA-N 354.476 1.082 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)C1 19496512 RLBNPKFZAZVPAZ-HZPDHXFCSA-N 357.502 1.560 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)n1 19574267 PGMDVNQNYORKDC-TWOQFEAHSA-N 366.421 1.703 0 40 FDAB CN1CCC(c2nnc3n2CCN(C(=O)COc2ccccc2)CC3)CC1 19708893 PZQLYUKURPMKRX-UHFFFAOYSA-N 369.469 1.551 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)COC(C)C)C2)n1 19739107 YQAXWIVMSIOHDA-KRWDZBQOSA-N 360.502 1.883 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCn2c(=O)n(CC)c3ccccc32)CC1 21894694 JDWUXDKGHQKKOT-UHFFFAOYSA-N 374.441 1.514 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](COc2ncccn2)C1 1775995019 LBDKQTQEQOCZDT-CYBMUJFWSA-N 352.416 1.561 0 40 FDAB CN=c1[nH]c([C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc2ccnn12 2037838553 NGVDSTRKCUURFW-OAHLLOKOSA-N 365.437 1.978 0 40 FDAB COc1ccc(-n2ccn3c(=O)n(CC4CCOCC4)nc3c2=O)cc1 2087000769 LQXBVRFQIHMLAG-UHFFFAOYSA-N 356.382 1.082 0 40 FDAB Cc1cc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)n(C)n1 2055746329 PELVRANGOHSOHN-UHFFFAOYSA-N 374.514 1.910 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cc(Br)cs1 585150556 QLQJVXDJYBENCN-UHFFFAOYSA-N 368.256 1.986 0 40 FDAB Cc1ccc(C)c(N2CCN(c3ncnc4c3n(C)c(=O)n4C)CC2)c1 2298076609 UBOYPFSHJKZRGE-UHFFFAOYSA-N 352.442 1.610 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Nn1cnc2ccccc21 10405792 WJLAYCGPWFEBEI-UHFFFAOYSA-N 373.438 1.740 0 40 FDAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)N1CCOCC1)S2 20060471 VXHPFNKZNZATJK-ZIAGYGMSSA-N 363.418 1.344 0 40 FDAB CC(C)CNC(=O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 40149576 DVTXBIYAUGNGCV-UHFFFAOYSA-N 357.454 1.767 0 40 FDAB C[C@@H]1CCN(C(=O)COC(=O)[C@@H]2COCCO2)c2ccccc2S1 46307258 NMXKYKUVJWAGCH-OCCSQVGLSA-N 351.424 1.863 0 40 FDAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 2620107 FNXGRGZZSJRXTC-SFHVURJKSA-N 361.398 1.753 0 40 FDAB O=C(O)[C@H](Cc1ccc(O)cc1)N[C@@H](c1ccccc1)P(=O)(O)O 1590381 JEUSOUAJTPGJSH-LSDHHAIUSA-N 351.295 1.854 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 4497908 VTRJVTYHZZQOAL-OAHLLOKOSA-N 354.472 1.548 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 4544022 XIXQELOGSXOJAO-WVMBZCLNSA-N 373.380 1.973 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ncccc2O)cc1 32721941 SXJKFEACLXGUHO-UHFFFAOYSA-N 365.411 1.493 0 40 FDAB CNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 6108784 BCLCVTIWJLHFBX-UHFFFAOYSA-N 351.457 1.700 0 40 FDAB CN1[C@H]2CC[C@H]1CC(OC(=O)/C=C\C(=O)OC1C[C@@H]3CC[C@H](C1)N3C)C2 104106727 HPYPBYFMSXFPSQ-HKPIAMLKSA-N 362.470 1.879 0 40 FDAB 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O=C1CN(C(=O)c2cc(O)c(OCc3ccccc3Cl)cn2)CCN1 61721952 TZBRPCXQMWSUPS-UHFFFAOYSA-N 361.785 1.592 0 40 FDAB O=C(CNC(=O)NCc1ccccc1)Nc1cccnc1-n1cccn1 25011298 PMYYNKHYOVTJAW-UHFFFAOYSA-N 350.382 1.705 0 40 FDAB COc1cc(C[C@H]2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O 1427444 OGCBIGOFBUQONP-AWEZNQCLSA-N 354.362 1.838 0 40 FDAB CCN1CCO[C@H](C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)C1 107059812 SFZDRTJVEJAGMY-HKUYNNGSSA-N 360.502 1.034 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccco2)[nH]n1 28505416 PPIAQHXBSPUFBD-UHFFFAOYSA-N 353.382 1.831 0 40 FDAB O=C1CCc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2N1 2465069 ICQFRKNSLNAHOS-UHFFFAOYSA-N 360.391 1.779 0 40 FDAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc2c(c1)OCO2 12935370 JJIOBYBGVNNDPO-CMDGGOBGSA-N 374.418 1.622 0 40 FDAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 13057112 CFRJJZNGRKDDOW-KBPBESRZSA-N 353.488 1.853 0 40 FDAB CC(=O)N(C)CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 48932839 XIPUHTABVLAZKD-UHFFFAOYSA-N 371.359 1.468 0 40 FDAB CN1[C@H](Cc2ccc3c(c2)OCCO3)[C@@H](O)c2ccccc2S1(=O)=O 13681328 LTFTYGGDCIIJQM-KDOFPFPSSA-N 361.419 1.737 0 40 FDAB CS(=O)(=O)NCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 49975561 KNPDFEGCABGATF-PDYKDVAVSA-N 370.474 1.949 0 40 FDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCO2 8707186 OBJABZDDUJDVNC-NSHDSACASA-N 359.382 1.457 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 14141392 VPVSZNPZWAHUMY-UHFFFAOYSA-N 366.377 1.677 0 40 FDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 14134988 UWHSCFPRKVUMJJ-CYBMUJFWSA-N 354.391 1.419 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)cc1 4502899 VAODJJVVFFWCDA-AWEZNQCLSA-N 356.444 1.001 0 40 FDAB Nc1nc(N)nc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)n1 14241329 SCYSEYRYOYAXNB-UHFFFAOYSA-N 351.370 1.067 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1C[C@H]1C 5558924 IMMJBFBZSFAMAM-YPMHNXCESA-N 354.428 1.311 0 40 FDAB CC(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 14795103 PTTNIBGGBFLOTI-UHFFFAOYSA-N 369.487 1.159 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2N)n1 18805563 ZTILABIUSQHZTH-MFKMUULPSA-N 363.491 1.581 0 40 FDAB CS[C@@]1(CO)C(=O)N(C)[C@@](Cc2ccccc2)(SC)C(=O)N1C 5966042 WXIJHVRXTHDGKV-HOTGVXAUSA-N 354.497 1.270 0 40 FDAB biogenic,in-vitro CCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 7053065 AXVBHIPBJUQYGB-UHFFFAOYSA-N 358.398 1.426 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(-n2cnnn2)cc1 7757420 VYHUTKBMFDJZNN-UHFFFAOYSA-N 363.333 1.254 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cn2ccc(C)cc2n1 9157050 ATLQXPZCYNVAIV-UHFFFAOYSA-N 372.450 1.622 0 40 FDAB O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 19943955 ZXGYZZNHGCMRBB-UHFFFAOYSA-N 353.327 1.804 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 71955705 MHLFKKISELRULG-UHFFFAOYSA-N 370.453 1.660 0 40 FDAB COc1cc(NC(=O)NCc2cc(C(N)=O)no2)c(OC)cc1Cl 83919858 VFCKWMZMASIBIA-UHFFFAOYSA-N 354.750 1.766 0 40 FDAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 72242946 WYPKHGUNDLQHTL-UHFFFAOYSA-N 362.455 1.742 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCCNC(=O)c1nc2ccccc2s1 72400292 DLWCJBCFZZWQML-NWDGAFQWSA-N 361.423 1.499 0 40 FDAB CC(C)c1nnc(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1C 95467354 JOMAKBPPVAPKBM-LBPRGKRZSA-N 357.414 1.369 0 40 FDAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccn(CCOC)n1)C2 306124833 CAPDWVBBPOYSHI-HNNXBMFYSA-N 350.463 1.102 0 40 FDAB COCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 408566205 FBLHBVHOXZLVCG-UHFFFAOYSA-N 371.437 1.599 0 40 FDAB C[S@](=O)C1(CNC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)CC1 503365801 UCQSATBHZLWCQL-PFFQYYOQSA-N 358.410 1.693 0 40 FDAB CN1CCO[C@@H]2CCN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@@H]21 516850184 RHJKCNQXKIIQHO-JKSUJKDBSA-N 371.840 1.972 0 40 FDAB O=C(Nc1nc[nH]n1)[C@H](c1ccccc1)n1c(O)nc2ccccc2c1=O 524733038 NQVNDVNLRRSLPZ-AWEZNQCLSA-N 362.349 1.448 0 40 FDAB CCc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1 72378729 QXIUACGNLYDOHC-MRXNPFEDSA-N 370.457 1.220 0 40 FDAB CN(C(=O)CN(Cc1ccccc1F)S(C)(=O)=O)[C@@H]1CCCC[C@H]1O 223156518 RYYYZYQGXYHDRO-HZPDHXFCSA-N 372.462 1.349 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc2ccccc2s1 225795781 IFOBWXAOJSZVME-UHFFFAOYSA-N 366.402 1.730 0 40 FDAB O=C(c1ccc(Br)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85436627 NESPQKFPRDSIRZ-HNNXBMFYSA-N 353.260 1.978 0 40 FDAB CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)c3csnn3)C2)c(=O)c1 329321383 ULNAAFMQGLPXDM-LBPRGKRZSA-N 362.459 1.417 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)c(Cl)cc21 223341942 ZANCHOMJFFVHOX-UHFFFAOYSA-N 353.787 1.658 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)NCc2ccco2)s1)c1ccccc1 223668499 IVUSNUMVWLQTDD-UHFFFAOYSA-N 364.408 1.862 0 40 FDAB Cc1nc(CN(Cc2ccc(F)cc2)S(C)(=O)=O)ncc1C(=O)O 49468452 JTRWFUWIEUXYOU-UHFFFAOYSA-N 353.375 1.584 0 40 FDAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3O)CC1 98192882 SXKJDJFTBGADNS-OLZOCXBDSA-N 368.434 1.160 0 40 FDAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1c1ncccn1 96208569 SFGPGFCKQUXQJS-CQSZACIVSA-N 356.430 1.393 0 40 FDAB O=C(N1CCOCC1)N1CCc2ncnc(Oc3cccnc3)c2CC1 96255668 CVZASBHDKCDIRN-UHFFFAOYSA-N 355.398 1.517 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)CC1 96301123 FPUVLEPNXHDLKE-INIZCTEOSA-N 374.437 1.992 0 40 FDAB CCOC(=O)[C@@]1(NC(C)=O)Cc2cc(Br)ccc2NC1=O 96345840 IHKPZUMZSCFUNY-CQSZACIVSA-N 355.188 1.382 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)cc2C1 96105692 NMRDJIFNZBPGRP-UHFFFAOYSA-N 362.336 1.065 0 40 FDAB CC(=O)NCCNC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 583623774 LNJHYAXGBMPHOV-OAHLLOKOSA-N 362.478 1.260 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)NCc2ccco2)C1 247910921 YJTCKFSQUBVMEW-QGZVFWFLSA-N 367.409 1.753 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230015 KAQGEQOXRPWPJX-GJRWTSMGSA-N 360.410 1.282 0 40 FDAB O=C(c1cccc(OC(F)(F)F)c1)N1CCC(N2C(=O)CNC2=O)CC1 253408869 YVUANYQPZIXMSW-UHFFFAOYSA-N 371.315 1.742 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257255094 KGBZVAYHHKKOPK-SFHVURJKSA-N 358.446 1.211 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)C 257312995 UQOLHTGCCOZIPX-KRWDZBQOSA-N 357.458 1.094 0 40 FDAB O=C(c1cccc(Cn2ccnc2)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257214905 CNXQNEXTCXJPSD-OALUTQOASA-N 365.437 1.966 0 40 FDAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)COC)CCO3)n2)s1 257262150 LKHRUDADTFAIDQ-LBPRGKRZSA-N 363.443 1.785 0 40 FDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2CCOCC2)C1 257223974 DZSOWPYOWAYPTK-IBGZPJMESA-N 350.434 1.648 0 40 FDAB C[C@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1nnc2n1CCCC2 623774909 POHWJOJIMGZDLJ-VIFPVBQESA-N 371.367 1.927 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 643952875 DPTNAINBBCQLMU-MRXNPFEDSA-N 354.790 1.436 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCCOc1ccc(Cl)c(F)c1 644493854 CXRHTOYEIKUHLM-AWEZNQCLSA-N 358.797 1.348 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)cc1 96120705 FBCVWVICIZVOLA-AWEZNQCLSA-N 360.457 1.665 0 40 FDAB Cc1ccc(CC(=O)N2CCOC[C@](O)(COc3ccccc3)C2)nc1 585275991 CSDOLVUZUQBNTP-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccc(OC)c3)[C@H](O)[C@H]2O)c1 585262419 WSACVVQOPLGUFS-YRXWBPOGSA-N 373.405 1.375 0 40 FDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1nccs1 67706070 TXYPXZWJLIYCAE-CQSZACIVSA-N 356.407 1.557 0 40 FDAB CC(C)c1nc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cn1C 1565522532 SONLQDJZZAHMGD-AWEZNQCLSA-N 356.492 1.029 0 40 FDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CCC(F)(F)C1 684565859 MAUZJADONRQQGZ-MRXNPFEDSA-N 365.424 1.882 0 40 FDAB COc1cccc(CC(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)c1 12120020 JGLIHDHPFIPBAL-PBHICJAKSA-N 353.422 1.818 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N(C)N(C)c3ncccc32)cc1OC 12145119 PLMSFVBOEPBPLU-UHFFFAOYSA-N 371.397 1.961 0 40 FDAB Cc1cc(NCCNS(=O)(=O)c2cn(C)nc2C)c2ccccc2n1 12239431 HKLUBQIRMWALSU-UHFFFAOYSA-N 359.455 1.976 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccc3c(c2)OCCO3)cc1 12911228 ZDUASWFDVFJSDB-UHFFFAOYSA-N 363.395 1.427 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1cnn(C)c1C)CC3 13226796 VJNYQXBWBCEVIA-UHFFFAOYSA-N 357.439 1.507 0 40 FDAB C[C@H](C(=O)NCCCN(C)C)N1c2cccc3cccc(c23)S1(=O)=O 13675175 JELCMRYHDCYXSP-CYBMUJFWSA-N 361.467 1.805 0 40 FDAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)[C@@H]2CCCO2)CC1 19288966 MSSBEEFRTQMGAH-IBGZPJMESA-N 369.469 1.742 0 40 FDAB O=C(CN1CCc2nnc([C@@H]3CCCN3)n2CC1)Nc1ccc(F)cc1 19706524 YAWINSCEQVWGRS-HNNXBMFYSA-N 358.421 1.339 0 40 FDAB Cn1nc2c(c1C(=O)Nc1cnn(CC(=O)NC3CCCC3)c1)CCCC2 19746282 BTFWIPJCODAPAB-UHFFFAOYSA-N 370.457 1.807 0 40 FDAB Cc1nc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)cc(C(C)(C)C)n1 1888834266 OKEKKWQWQREHHY-INIZCTEOSA-N 357.502 1.968 0 40 FDAB O=C(COc1cccnn1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888853800 TXQSQKHKSOMNOW-UHFFFAOYSA-N 368.319 1.013 0 40 FDAB NC(=O)c1cccc(CN(C(=O)c2ccnc3[nH]c(O)nc23)C2CC2)c1 1298064902 CDHSBFHWBITHTG-UHFFFAOYSA-N 351.366 1.567 0 40 FDAB O=C(c1ccc(OC2CCOCC2)nc1)N1CCN(c2ncccn2)CC1 244998672 KPANGCVNJUNDFU-UHFFFAOYSA-N 369.425 1.392 0 40 FDAB CCCc1cc(C(=O)N2CCOC[C@@](O)(COc3ccccc3C)C2)n[nH]1 2037938508 WFLVEXLSSKJTLU-HXUWFJFHSA-N 373.453 1.953 0 40 FDAB COc1cnccc1C(=O)N1Cc2c(CN3CCCCC3)nn(C)c2C1 1565546357 YWDJUAYHIMMTCZ-UHFFFAOYSA-N 355.442 1.966 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@@H]3C2)c1=O 1565556027 UXDJFIDQROZWGF-GDBMZVCRSA-N 365.437 1.187 0 40 FDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)NCC(F)(F)F 1565551284 CFBAXQAVIYPSKC-KFWWJZLASA-N 357.376 1.987 0 40 FDAB O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)c1ccccc1 4078105 ZRGNCKMZPPIADI-UHFFFAOYSA-N 364.452 1.741 0 40 FDAB O=C(NCc1cccnc1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234307 IXDNUOHMPZHDOU-UHFFFAOYSA-N 366.356 1.254 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2055835276 JHRWGYDUZGUJQW-LJQANCHMSA-N 371.441 1.253 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769524 HNWFZUVSVFAALH-QGZVFWFLSA-N 371.437 1.128 0 40 FDAB COc1nn(C)cc1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206841220 QQPMCMFDYJQGQZ-ZDUSSCGKSA-N 369.381 1.718 0 40 FDAB CCc1ccc(NC(=O)Cn2c(N3CCOCC3)nc(CC)cc2=O)cc1 49411153 JDKAVGGESQTXHV-UHFFFAOYSA-N 370.453 1.843 0 40 FDAB CN(C(=O)[C@H]1OCCc2ccccc21)C1CN(c2ccc3nncn3n2)C1 585592543 ICYDBRUYIYMPTL-SFHVURJKSA-N 364.409 1.085 0 40 FDAB O=C([C@H]1CCCN(c2ccncc2Br)C1)N1CCOCC1 376883069 XYCNECGHENBGON-LBPRGKRZSA-N 354.248 1.919 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)n1 19237999 SIJFFSUANDAWGZ-HIFRSBDPSA-N 354.458 1.279 0 40 FDAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc2c(c1)OCO2 32818244 CRXAYGDWFDGIOK-UHFFFAOYSA-N 353.334 1.719 0 40 FDAB Cc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 35876722 NTQMPZXGYNPKCJ-HNAYVOBHSA-N 351.450 1.830 0 40 FDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]1 10458630 JLWGBAKUBCQPBP-AWEZNQCLSA-N 359.451 1.974 0 40 FDAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 40072458 KQEBYNKFAXOHNF-UHFFFAOYSA-N 367.405 1.979 0 40 FDAB CCOc1ncccc1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 31325862 UEPOKDOPDFXVBE-MRXNPFEDSA-N 367.409 1.217 0 40 FDAB CC[C@@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451321 ZFUPKYXJIBPBQM-MRVPVSSYSA-N 358.320 1.029 0 40 FDAB Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2cc(O)ccc12 20546533 XLLMLLRTOKJJIM-UHFFFAOYSA-N 360.410 1.188 0 40 FDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccc(F)cc2Cl)C1 45810900 GBDKULOTVPXGNE-LLVKDONJSA-N 367.851 1.819 0 40 FDAB COc1ccc(C2=NO[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c(OC)c1 101359078 SWSYDRKVCSOYDF-SJLPKXTDSA-N 366.373 1.992 0 40 FDAB COc1cc(NC(=O)[C@@H](C)NC(=O)[C@H](N)CCCCN)cc2ccccc12 1578627 NVFAVOGMBNAYET-CXAGYDPISA-N 372.469 1.748 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387389 DAVNREGNPPKABN-UHIISALHSA-N 362.304 1.479 0 40 FDAB CO[C@H]1C[C@H]2C[C@H]1[C@@H]1C3=C(N[C@@H]21)[C@@]1(O)C[C@@H]2CN(CC3)[C@@H]1C[C@H]2[C@H](C)CO 104097565 BPHRVANFPNGAEB-RIGNCKTGSA-N 374.525 1.357 0 40 FDAB CC[C@H](OC(=O)CCS(=O)(=O)CC(C)C)C(=O)Nc1cc(C)on1 32936293 WNWWDPMGYMFYGA-LBPRGKRZSA-N 360.432 1.704 0 40 FDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 102610087 OYSONYPLTCCTHY-BTAUDXDXSA-N 358.394 1.264 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccncc3)cc2N1 24434918 YXSITNLDBKVMMO-OAHLLOKOSA-N 359.407 1.938 0 40 FDAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(N)=O 12335843 RSIMKDIGLJYZKF-SNVBAGLBSA-N 372.343 1.975 0 40 FDAB COCC(=O)N1CCOC[C@]2(CC[C@H](CN(C)Cc3ccco3)O2)C1 107195032 JLRGWAHKJSTNDF-AEFFLSMTSA-N 352.431 1.134 0 40 FDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 55376652 NBEYANNTSSDLHG-MRXNPFEDSA-N 350.415 1.348 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCC(=O)OC)c1 10024556 GKAJNOGBZUEJMF-UHFFFAOYSA-N 356.444 1.400 0 40 FDAB Cc1nn(CN2CCN(S(C)(=O)=O)CC2)c(=S)n1-c1ccccc1 12534394 FWUIEAODAWSXPL-UHFFFAOYSA-N 367.500 1.246 0 40 FDAB COc1ccc(CCC(=O)NCCC(=O)NCc2cccnc2)cc1F 58279550 DTSCYAVPRMHMOR-UHFFFAOYSA-N 359.401 1.985 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccccc2C(N)=O)CC1 58210705 YRFCTKJRHKSPTN-UHFFFAOYSA-N 362.430 1.277 0 40 FDAB CNS(=O)(=O)Cc1cccc(CNC(=O)NCc2ccsc2)c1 58203336 QVTIMSNDMRXJLD-UHFFFAOYSA-N 353.469 1.797 0 40 FDAB C[C@@H](c1ccc(OC(F)(F)F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 58218763 QNIVFFFGCSDIBK-VIFPVBQESA-N 368.315 1.942 0 40 FDAB Cc1cccc(CNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)n1 58209942 ZFAOWNOSBVAGSR-OAHLLOKOSA-N 371.363 1.763 0 40 FDAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cc(Cl)ccc1F 12685187 HJPPJJSALJQRIV-HNNXBMFYSA-N 369.824 1.741 0 40 FDAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 12666149 JPTKTCKIQNHCFD-AWEZNQCLSA-N 354.410 1.580 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCCN(c2ncccn2)C1 48363709 MKMJYQAFEGKXQX-OAHLLOKOSA-N 357.389 1.131 0 40 FDAB CC(C)n1ncc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cnc21 12858861 BLQPAODRMCLUGH-UHFFFAOYSA-N 365.459 1.622 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)N[C@@](C)(C3CC3)C1=O)CC2 12936547 HQZCILOCSOGFAB-IBGZPJMESA-N 359.426 1.740 0 40 FDAB CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)O 12941227 HWUJZSZIGCXQQE-NHYWBVRUSA-N 368.455 1.628 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)CC1 17170187 JAHJTHMQDKOAFB-CQSZACIVSA-N 374.437 1.992 0 40 FDAB CCN(CC)CCCNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC 13623674 AZOJBTRLVNBJBN-UHFFFAOYSA-N 369.487 1.938 0 40 FDAB C[C@H]1Cc2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2N1S(C)(=O)=O 17304190 MXWGAAJGOFXKGD-NSHDSACASA-N 370.434 1.948 0 40 FDAB Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1 6345971 YIMZCBHPZQSYLD-SNVBAGLBSA-N 362.245 1.440 0 40 FDAB O=C(OCc1nc2ccsc2c(=O)[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 14093493 LUQLRNKRUCQMPP-JTQLQIEISA-N 361.423 1.819 0 40 FDAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)N1C[C@@H](C)O[C@H](C)C1 14077777 OAKOEHCQQFQVMV-UPJWGTAASA-N 361.471 1.994 0 40 FDAB CNC[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 71144897 GSHZELWAQCTKQL-JTQLQIEISA-N 363.277 1.688 0 40 FDAB Cc1ccc(OCc2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 8734310 VINDBUONEPJWMV-LBPRGKRZSA-N 366.464 1.947 0 40 FDAB in-vitro COC(=O)c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 24166968 CRQSIUHMVSQKHB-UHFFFAOYSA-N 355.398 1.024 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cn3ccccc3n2)cc1 7798996 ISPDTVDSJBZWNJ-UHFFFAOYSA-N 358.423 1.515 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)CCCn1c(O)nc2ccccc2c1=O)C(=O)O 8971471 INMSUZVPEUZFLL-ABAIWWIYSA-N 361.398 1.498 0 40 FDAB biogenic CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306144774 ZOGCBYBKQNQKTK-LSDHHAIUSA-N 357.433 1.860 0 40 FDAB COc1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 9704663 JPJRAPJDJSNPCJ-UHFFFAOYSA-N 374.418 1.411 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)cc1 95462100 GAEODWLIRXILOU-NSHDSACASA-N 355.334 1.407 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\c1cnn(C)c1 98053899 HJXDGHYEYOBTLG-ZPUOCTKUSA-N 352.394 1.815 0 40 FDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(N(C)C)cc3)C(=O)[C@H]12 409294099 NNBHAAXXLJKPPI-PASDCYSWSA-N 356.378 1.129 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C(=O)O)cc2N1 95949222 BPKQGKNEEJSYCT-AWEZNQCLSA-N 374.374 1.222 0 40 FDAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(C[C@@H]4CCCO4)c3n2)c(=O)o1 1547211133 OTWCZABZKFSEOH-JTQLQIEISA-N 371.349 1.310 0 40 FDAB biogenic CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 38832808 PXRCLGNRBLQXGE-KRWDZBQOSA-N 360.435 1.920 0 40 FDAB CN1CCN(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1=O 547719796 DNFGMPBVHNOVNX-IBGZPJMESA-N 356.401 1.200 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)c1 39589443 QTSNGABVESPZTF-UHFFFAOYSA-N 371.418 1.846 0 40 FDAB Cc1ccc(N([C@@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1C 409411748 ZLBSKCUCOUXXEK-HOCLYGCPSA-N 354.472 1.753 0 40 FDAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(CN2C(=O)CNC2=O)cc1 32787065 LZFASXSXIWSKRY-UHFFFAOYSA-N 372.425 1.373 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@@H]1COc2ccccc2O1 38630272 ZBIOKHCMTBOCPH-KSSFIOAISA-N 358.394 1.609 0 40 FDAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(N)(=O)=O)cc1 217404117 ZORDSLRAFGRGKF-UHFFFAOYSA-N 350.396 1.695 0 40 FDAB Cc1nc2cc(NC(=O)C3CN(S(=O)(=O)C4CC4)C3)ccc2s1 70839095 NKUGBSMLGJEERD-UHFFFAOYSA-N 351.453 1.967 0 40 FDAB COc1ccc2nnc(CCC(=O)Nc3ccc4c(c3)OCCO4)n2n1 71288599 WXVGQLZXNAFMNC-UHFFFAOYSA-N 355.354 1.475 0 40 FDAB CCC[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 565106932 ZXKYBWFERPZZPX-ZDUSSCGKSA-N 360.501 1.925 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccccn1 44891348 DANRMJHBHKNJLU-UHFFFAOYSA-N 357.389 1.691 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 225399829 YRNPXZKRAOVKHP-CYBMUJFWSA-N 356.382 1.565 0 40 FDAB NC(=O)c1ncn(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1N 571267134 YSQJVEZEYUNJMG-UHFFFAOYSA-N 353.426 1.460 0 40 FDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)c1cnccn1 85467565 HDIFMMVNJKUGCF-INIZCTEOSA-N 356.401 1.969 0 40 FDAB CC(C)C(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C 96143564 BSWVQWUPLPGMPS-LSDHHAIUSA-N 357.458 1.018 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccc(C)n3)CC2)O1 96243548 HUKCTRAIGDGXEM-INIZCTEOSA-N 355.442 1.223 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1ccccn1 96240164 JCEYVPDBANNNIA-IBGZPJMESA-N 354.410 1.111 0 40 FDAB CC[C@H]1c2ccsc2CCN1C(=O)CN1C(=O)N[C@](C)(COC)C1=O 332277132 VWBZQFBYKBASCB-YVEFUNNKSA-N 365.455 1.541 0 40 FDAB O=C(C1CCC1)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145087 FMJGINMVVIDDDH-UHFFFAOYSA-N 364.467 1.766 0 40 FDAB CN(C)C(=O)N1C[C@@H]2CN(S(C)(=O)=O)CC[C@]2(c2ccccc2)C1 96090897 MRVNPJNWUWOHIC-NVXWUHKLSA-N 351.472 1.203 0 40 FDAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2=O)cc1 96245358 KMTXSXIIKPQIQZ-AEFFLSMTSA-N 351.406 1.821 0 40 FDAB C[C@H](C(=O)O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 580194650 ZFABBKNDPIVHCY-KWQFWETISA-N 360.288 1.527 0 40 FDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@H]3C2)nn1 96065485 SSBXBOFUSIKYFY-ULQDDVLXSA-N 353.426 1.480 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257277880 NZWNSBCMQWVGSM-AWEZNQCLSA-N 357.414 1.048 0 40 FDAB CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(OCC(F)F)cc1 585080366 AJUQPTOPNOOFFO-GFCCVEGCSA-N 362.398 1.666 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3ccnn3C)C2)cc1 257225692 FHJCJORBVPSWJJ-LJQANCHMSA-N 358.442 1.138 0 40 FDAB CC(C)NC(=O)CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 252494738 ODFCTTPRXSMPOH-UHFFFAOYSA-N 367.471 1.116 0 40 FDAB CC(=O)Nc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 255187409 DJHJHHWCEQRUAT-UHFFFAOYSA-N 358.423 1.907 0 40 FDAB CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)C1 631971710 PCJGHVDNIJNEBH-GHMZBOCLSA-N 360.863 1.971 0 40 FDAB O=C(CCn1c(=O)nc(O)c2ccccc21)N1CCO[C@H](C(F)F)CC1 634157032 PNHMFPYVLAKMNM-ZDUSSCGKSA-N 367.352 1.375 0 40 FDAB O=C1[C@@H](N2CC[C@H](c3cc(O)nc(O)n3)C2)CCN1c1ccccc1F 639716838 RDCHFYMVYMRFGQ-NHYWBVRUSA-N 358.373 1.622 0 40 FDAB CC(=O)N[C@]1(c2nc(C)no2)CCN(Cc2ccc3c(c2)ncn3C)C1 643722617 NJZQEQMRKQNRDU-GOSISDBHSA-N 354.414 1.502 0 40 FDAB Cn1nnc2c(N3CCN(Cc4c(F)cccc4Cl)CC3)ncnc21 663337532 DVTMVPJVVRCMSX-UHFFFAOYSA-N 361.812 1.873 0 40 FDAB CN1C(=O)CC[C@H]1CC(=O)Nc1[nH]nc2c1c(-c1ccccc1)nn2C 668825272 VGHRLTOIHGOCKL-LBPRGKRZSA-N 352.398 1.913 0 40 FDAB COc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)CCN2)cc1 1262636475 STFGDEOWVVSKCR-KRWDZBQOSA-N 366.425 1.606 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)OCCO)cc1 96338222 XTDQDZWIHSOSSX-GOSISDBHSA-N 374.412 1.617 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2cc[nH]c2c1 575615848 GWOPTDSNPNDWBZ-INIZCTEOSA-N 361.467 1.549 0 40 FDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)COc3ncccn3)C2)c1 585275852 HPKHHHKZALZNFW-IBGZPJMESA-N 357.410 1.596 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(Cc3cc(C)no3)CC2)cc1 675905416 ODJTWQBJUKERBX-UHFFFAOYSA-N 365.455 1.888 0 40 FDAB CCN(CC)c1ccc(C(=O)NCc2cccnc2-n2cncn2)cn1 58016532 JHXKHNWETOOZOG-UHFFFAOYSA-N 351.414 1.834 0 40 FDAB Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccc(OCC(N)=O)cc1 84028805 VACQXTJXPMOFSJ-UHFFFAOYSA-N 370.409 1.343 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 5090822 MQFAJDVHISGRMJ-XDNAFOTISA-N 358.438 1.830 0 40 FDAB O=C(OCc1nnnn1Cc1ccccc1)c1cc(=O)[nH]c2ccccc12 11223422 JHBQLECFXICYOT-UHFFFAOYSA-N 361.361 1.920 0 40 FDAB CC(C)(C)C(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142387 LAJPGSQCWXRVTG-UHFFFAOYSA-N 351.472 1.798 0 40 FDAB CN(C)CCN(C)c1nc(O)cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 19582503 LFBPLZGKBXCTEM-CYBMUJFWSA-N 373.432 1.840 0 40 FDAB Cc1nn2c([C@@H]3CCN(C(=O)C(C)C)C3)ccnc2c1CN1CCOCC1 19707955 XEMPGSVJTFMEOU-MRXNPFEDSA-N 371.485 1.842 0 40 FDAB CN(C)C(=O)Cn1cccc(C(=O)N(C)CCCc2ccccc2)c1=O 19745686 CRHDRWLGCILNBA-UHFFFAOYSA-N 355.438 1.641 0 40 FDAB CN(C)C[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccccc1 19748394 KYKXNSUCMXQUDH-QGZVFWFLSA-N 367.515 1.467 0 40 FDAB CCOc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc1 560356514 QISIUQUOGUDWQM-WMLDXEAASA-N 356.426 1.768 0 40 FDAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)[C@H]2O 257404066 DFBIRQPKNDILPW-ITNXINHCSA-N 360.406 1.103 0 40 FDAB biogenic CCOC(=O)N1CCC(N2CCO[C@]3(CCCCN(C)C3=O)C2)CC1 2037985813 XCWCLHXMZORFPO-GOSISDBHSA-N 353.463 1.321 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(C(=O)c1cc[nH]c1)C2)NCc1cccnc1 1565550784 FJWJMCRQKDBKSU-APWZRJJASA-N 354.410 1.205 0 40 FDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565556404 HCCPDTNOIKSCPP-NVXWUHKLSA-N 359.413 1.950 0 40 FDAB Cc1cc(NC(=O)C(=O)NCc2cccnc2)ccc1N1CCCC1=O 10188505 YFFPEVJRDJIQSD-UHFFFAOYSA-N 352.394 1.772 0 40 FDAB CCn1cc(CN2CCO[C@@H]3[C@H](CNC(=O)c4cnccn4)CC[C@H]32)cn1 2055725624 NNMPXYILNZZNCH-CGTJXYLNSA-N 370.457 1.102 0 40 FDAB Cc1cc2c(N3CCCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1 1775968919 ZBJGBQLONSCRFP-UHFFFAOYSA-N 363.429 1.501 0 40 FDAB CN(C)C(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 390828393 AVRLJAMEWYOUKA-UHFFFAOYSA-N 368.384 1.413 0 40 FDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40025439 WTVMEFRTNITIAA-KRWDZBQOSA-N 354.410 1.540 0 40 FDAB COc1ccc(NCC(=O)N(C)CC(=O)NC2CC2)c(C(F)(F)F)c1 40155663 PSFQDTKJPORWPS-UHFFFAOYSA-N 359.348 1.863 0 40 FDAB CC(=O)N[C@@H](Cc1cc(C)c(O)c(I)c1)C(=O)O 1713869 DZHRHKXOBCVTBR-JTQLQIEISA-N 363.151 1.437 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccs2)c1 3409629 DYNANCHDLKCDFX-UHFFFAOYSA-N 353.421 1.625 0 40 FDAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O 3906569 DEFLGEHUZICESO-UHFFFAOYSA-N 374.485 1.952 0 40 FDAB COc1cc(Br)c([C@@H]2CC(=O)Nc3ncnn32)cc1OC 6145511 NCBUBYMVSQPESA-VIFPVBQESA-N 353.176 1.989 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 17726487 REMTZSSCECOTAA-MRXNPFEDSA-N 366.373 1.899 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 52659637 RPRDJLPYJLNTNR-HNNXBMFYSA-N 361.486 1.879 0 40 FDAB C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 8937526 NWSFLFIZTXXIIO-LLVKDONJSA-N 367.361 1.705 0 40 FDAB O=C1COc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc2N1 42249210 GQKKXUNUXGYCTF-UHFFFAOYSA-N 350.327 1.275 0 40 FDAB COC(=O)[C@H](CN1CCN(C)CC1)[C@H](O)c1ccccc1Br 22916231 WDMWPIJVZPESSG-UKRRQHHQSA-N 371.275 1.519 0 40 FDAB O=C(Nc1nccs1)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 2792664 RHSMEQBVIJYLKQ-UHFFFAOYSA-N 352.383 1.751 0 40 FDAB Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cn1 24131368 JLERJTIRGZXYDY-UHFFFAOYSA-N 373.434 1.593 0 40 FDAB COC(=O)COc1cccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 24953020 NNMKYJDECHKKRR-CQSZACIVSA-N 370.409 1.884 0 40 FDAB CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 8395153 HCQRXCSLWJAMGF-UHFFFAOYSA-N 371.459 1.636 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)c2ccccc2N1 43484717 KZYZGCKLTKMGMM-HNNXBMFYSA-N 352.394 1.983 0 40 FDAB O=C(Cn1ccccc1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 25396534 YUWHFIZHJULZME-UHFFFAOYSA-N 353.422 1.791 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CN1CCN(c3ncccn3)CC1)C2 107084791 SWFMATWOOAKUKK-FTRWYGJKSA-N 357.502 1.930 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 24725957 NPYDIIDAVNRPES-HNNXBMFYSA-N 360.410 1.653 0 40 FDAB CCOP(=O)(N[C@@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC)OCC 12411267 BGNIUOFCUGLIBP-LLVKDONJSA-N 374.252 1.635 0 40 FDAB Cc1ccc(-c2noc(CN3CCN(C(=O)C4=COCCO4)CC3)n2)cc1 12760583 KSXRGYHZKBNAKA-UHFFFAOYSA-N 370.409 1.577 0 40 FDAB CCN(CC)[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1 48365811 AZDVTZZTSXUHFK-KRWDZBQOSA-N 372.473 1.179 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCC2 3552004 VZEQTPQHJCFVLF-UHFFFAOYSA-N 354.428 1.646 0 40 FDAB COC(=O)c1ccc(OC)cc1OC(=O)c1nn(C)c(=O)c2ccccc12 13141363 YZHXKUAVQDNZOM-UHFFFAOYSA-N 368.345 1.948 0 40 FDAB COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C)C(=O)[C@@H]45)[C@H]23)c(OC)c1 5389765 PJBHNLZXNBSSSJ-YCRNYQIISA-N 356.378 1.304 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCCC1 14160496 HPWJXKSXBQQARE-UHFFFAOYSA-N 369.487 1.499 0 40 FDAB CCNC(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7177578 ZJVRLRLVDMSLQT-UHFFFAOYSA-N 372.303 1.444 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683633 ZLJNNGKUFQCIFM-DZGCQCFKSA-N 372.874 1.788 0 40 FDAB COc1ccc2nnc(CCCC(=O)Nc3ccc4c(c3)OCO4)n2n1 71287225 OXCKYHCYLQYTDT-UHFFFAOYSA-N 355.354 1.823 0 40 FDAB COc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OC 16735345 GGFJFEZKTDOJEP-ZROIWOOFSA-N 355.375 1.976 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCc2noc(C(C)(C)C)n2)c(C)c1 72313076 ORZGQBDPACTPRW-UHFFFAOYSA-N 367.427 1.941 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccco3)cc2)CCN1 84432187 BMQSFQBMFQQJPU-JKSUJKDBSA-N 367.405 1.272 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN1CCN1C(=O)c2ccccc2C1=O 78340729 NFOBVWWYQJFCRZ-QGZVFWFLSA-N 367.405 1.656 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C 408597626 VPIADTOJERLLBR-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150388 ADFSMYPLWQQDJX-HRLGVUPISA-N 362.401 1.803 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)COC)cc1C 408627033 XLZRHNOLLADKIS-QWHCGFSZSA-N 358.460 1.212 0 40 FDAB COc1cccc(CNC(=O)COC(=O)COc2ccccc2)c1OC 72331089 ASVOBHAPPKKGAZ-UHFFFAOYSA-N 359.378 1.942 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326619 XWEJOPYXXXHMOO-HXPMCKFVSA-N 357.410 1.185 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375429 SSOWHLNZRXPOGA-LDNFRZNASA-N 353.422 1.712 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1Br 73742948 LGMQNKKHNYXDII-NSHDSACASA-N 354.248 1.988 0 40 FDAB CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 36396118 GZUAZMKQTSKXBA-UHFFFAOYSA-N 356.444 1.385 0 40 FDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980235 KIYDFLAFOIENGW-CQSZACIVSA-N 354.353 1.702 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224318031 JOAOIDOWRGWTGL-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3c(F)cccc3F)n2)n1 77196954 ACLVFBXLQJMUKD-UHFFFAOYSA-N 373.363 1.754 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2cccc(N(C)S(C)(=O)=O)c2)CC1 222411416 DJONVQLXBQOZQW-UHFFFAOYSA-N 368.455 1.498 0 40 FDAB CC(=O)N1CCC(N2C[C@@H]3Oc4cc(F)ccc4C(=O)N(C)[C@@H]3C2)CC1 514288644 LGFWMKDSSSCEGH-AEFFLSMTSA-N 361.417 1.354 0 40 FDAB biogenic,in-vitro COC(=O)C[C@@H](c1c(O)nc2ccccn2c1=O)c1ccnn1C(C)C 96117170 WDKQTLOQORIJFT-GFCCVEGCSA-N 356.382 1.873 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCO1 583650540 GWZNUOCLTXUOGV-LBPRGKRZSA-N 369.299 1.817 0 40 FDAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cn1 95475916 FCPUNWKANOGDED-NSHDSACASA-N 351.366 1.958 0 40 FDAB O=C(c1ccco1)N1CCOC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 96051276 XWERWKADWGOIFQ-LJQANCHMSA-N 356.378 1.554 0 40 FDAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(c3ncccn3)CC2)O1 96144902 XZJZHAWNJBWUHU-OAHLLOKOSA-N 370.457 1.436 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 96036749 WJPOKQWQDFSPAD-KRWDZBQOSA-N 370.453 1.528 0 40 FDAB Cc1ccsc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 96255735 YSVSLBPRBMRPFG-UHFFFAOYSA-N 358.467 1.924 0 40 FDAB CCN(CC)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cscn3)C2)O1 96160239 KDZXKBWGDJCZKN-YOEHRIQHSA-N 353.488 1.875 0 40 FDAB O=C(c1ccnnc1)N1CC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047089 ZKMFBAOWFBOAHZ-SFHVURJKSA-N 352.398 1.035 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](Cc2ccc(-c3cnc4ncccn34)nn2)C1 257308788 TYCCKJZVDVJNKS-ZDUSSCGKSA-N 372.454 1.400 0 40 FDAB CC(C)n1nccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257211636 BZQKRDWBRXLMFU-INIZCTEOSA-N 356.417 1.772 0 40 FDAB CCc1[nH]ncc1C(=O)N1CC[C@@H]2[C@@H](CCCCN2S(C)(=O)=O)C1 257327407 XBESKJXTMSIPSK-SWLSCSKDSA-N 354.476 1.248 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N(C)C)[C@@](C)(O)CO2 257235401 GXRNWZXXPIQJTJ-YOEHRIQHSA-N 351.447 1.368 0 40 FDAB CCCn1nccc1-c1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257331122 XRLQAJQCKHGEMN-CQSZACIVSA-N 363.487 1.964 0 40 FDAB Cn1nc2c(c1S(=O)(=O)NCCc1nn(C)c3ccccc13)CCCC2 632229397 AYSZONOSTXTPQR-UHFFFAOYSA-N 373.482 1.707 0 40 FDAB C[C@@]1(C(N)=O)CCN(C(=O)c2cc(Br)c3nccn3c2)C1 632832909 RABDHFNYUDOENP-CQSZACIVSA-N 351.204 1.434 0 40 FDAB CNC(=O)[C@@H]1CCCN1C(=O)C[C@](C)(C(=O)O)c1ccc(Cl)cc1 634872771 VOLYCUGFNKAJTI-GUYCJALGSA-N 352.818 1.809 0 40 FDAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1 648051663 QTZPOUWMMWYGAH-SFHVURJKSA-N 368.437 1.841 0 40 FDAB Cn1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1=O 648508188 ZHUWLEJBXYFRIY-KRWDZBQOSA-N 351.406 1.231 0 40 FDAB CN1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)Cc2ccccc21 654637436 JPTCRYUWSORQFJ-OAHLLOKOSA-N 356.430 1.818 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1ccc2c(c1)CCO2 90607272 PCVMJYUXLBVHIP-INIZCTEOSA-N 373.478 1.718 0 40 FDAB Cc1cccc(-c2nsc(N3C[C@H](c4cnn(C)c4)[C@@H](C(N)=O)C3)n2)c1 631272948 ORNBQYFGAXWIPL-CABCVRRESA-N 368.466 1.952 0 40 FDAB COC[C@@]1(CC(N)=O)CN(Cc2cccc(Br)c2)CCO1 585278156 LZAFITWCUBRVSR-OAHLLOKOSA-N 357.248 1.542 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3c(ccn3C)c2)Cc2ccnn21 585095376 SPEIIXCATMZOAJ-MRXNPFEDSA-N 351.410 1.708 0 40 FDAB O=C(CCCn1cccn1)N1CCOC[C@](O)(COc2ccccc2)C1 585272817 RETPXQUOAJNXIV-IBGZPJMESA-N 359.426 1.332 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(Br)cc2)C1 58172348 XTFUIEHSUJGEJW-MFKMUULPSA-N 370.247 1.667 0 40 FDAB COCCOCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615158328 MASIXCZSGTUXLE-UHFFFAOYSA-N 362.426 1.074 0 40 FDAB Cn1ccnc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@H]12 1549162620 SMCPCKXEPPOSLI-KRWDZBQOSA-N 367.453 1.311 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1nnc(-c2ccccc2)n1 5325996 AGSOVWCFSRUOII-UHFFFAOYSA-N 364.409 1.712 0 40 FDAB Cc1cc(S(=O)(=O)N(CCO)CCO)c(C)cc1Br 11566235 MIMLUCYAEXQCFE-UHFFFAOYSA-N 352.250 1.041 0 40 FDAB CC(C)[C@H](N)C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ncccc31)C2 12134672 OYWHLRVZZBUXQQ-QMUUOEPPSA-N 356.470 1.904 0 40 FDAB COc1cccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)c1 12468333 QEJIXZNEYFTPHA-UHFFFAOYSA-N 363.428 1.562 0 40 FDAB Nc1cccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)c1 13997981 YNXKXSJZYIVNSS-UHFFFAOYSA-N 363.425 1.271 0 40 FDAB Nc1ccc(/C=C\c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 12339511 REJHVSOVQBJEBF-UPHRSURJSA-N 370.408 1.515 0 40 FDAB in-vitro O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1nc(N2CCCC2)ncc1Cl 679588859 SDXQKGBNYAHEMN-NSHDSACASA-N 363.849 1.471 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CCOCC5)C[C@H]4C3)n1)CCC2 1888856563 VRQXSNOFBLAGFS-IYBDPMFKSA-N 356.470 1.595 0 40 FDAB Cn1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1C(N)=O 28251708 YLWMHXFLNMEFBI-UHFFFAOYSA-N 362.411 1.273 0 40 FDAB NC(=O)c1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1F 31986577 INDNVFKCYPTQET-UHFFFAOYSA-N 355.329 1.058 0 40 FDAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(N2C(=O)CNC2=O)C1 245171784 XVADZFNTNNDYHM-UHFFFAOYSA-N 363.373 1.687 0 40 FDAB CCC(CC)NC(=O)[C@H]1C[C@]2(CO1)CN(Cc1cnn(CC)c1)CCO2 2056226276 OKGPQKFIUUDEHT-IEBWSBKVSA-N 364.490 1.568 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)NC1CCCCC1 4341797 FOYVIVLHILHSRI-UHFFFAOYSA-N 370.388 1.565 0 40 FDAB COc1ccccc1CCNS(=O)(=O)CCNC(=O)c1ccccc1 4940923 KPGPGIXVCHQSKY-UHFFFAOYSA-N 362.451 1.587 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@@H](C)c2ccccc2)n1 11931011 UOBNIILSCUFDGA-HNNXBMFYSA-N 356.426 1.541 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccc(F)c(F)c2)CC1 2055746223 BOFAMUPLMZASFS-UHFFFAOYSA-N 363.412 1.313 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cn1 1775967313 LTQDGOJNCFJWTL-NSHDSACASA-N 353.425 1.754 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 36704264 ZRGFZZCCRMWXSS-UHFFFAOYSA-N 372.816 1.749 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncc(Cl)cn2)C1 585606356 WICKRIQXHDPUNY-UHFFFAOYSA-N 354.801 1.885 0 40 FDAB Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1Cl 9827667 ZXAKUTWIFYIPSU-UHFFFAOYSA-N 368.846 1.553 0 40 FDAB CC(=O)c1cccc(N2CN=c3s/c(=C/c4cccnc4)c(=O)n3C2)c1 5789541 CSTSTJYRWHLJKY-CAOOACKPSA-N 364.430 1.391 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc2c(c1)OCCO2 13690210 UNXDXBGHGPFFMU-UHFFFAOYSA-N 355.354 1.069 0 40 FDAB O=C(NCCOc1cccc(F)c1)NCc1cccnc1N1CCOCC1 40091453 UAOMNZQRESOQPN-UHFFFAOYSA-N 374.416 1.936 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 31530373 YQOIZEQBVDCYTF-MRXNPFEDSA-N 357.454 1.796 0 40 FDAB Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 20533606 OXVHZTXVEFPSJA-UHFFFAOYSA-N 360.410 1.106 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(O)cc1 32093513 ZWKGHNOEAVHKHC-LBPRGKRZSA-N 371.368 1.639 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CSc2ncnc3c2cnn3C)c1 11681651 MBUNTAVKQYXNLD-UHFFFAOYSA-N 363.468 1.906 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)NCc3ccco3)CC2=O)cc1 20739351 SVXUEEAUUVLBKU-ZDUSSCGKSA-N 371.393 1.074 0 40 FDAB O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)Nc1ccccc1F 1350787 AJPWVKZFGBJXEV-UHFFFAOYSA-N 365.332 1.094 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCC(C)CC3)n2N)n1 32776491 XYLBSFMVYYBLDF-UHFFFAOYSA-N 363.491 1.581 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(Cl)c1 4846581 AJEWVLBYHQMTGA-UHFFFAOYSA-N 364.810 1.801 0 40 FDAB COc1ccc(CNC(=O)CN2CCN(Cc3ccccc3)CC2)cn1 32801923 BCCXBZJNSKJDBE-UHFFFAOYSA-N 354.454 1.524 0 40 FDAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccco2)CC1 32851069 VYJPLLVLGGJQFE-CYBMUJFWSA-N 369.425 1.594 0 40 FDAB Cc1nc(CC(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)cs1 21604373 KMBDDPQZVPUUBC-ZETCQYMHSA-N 353.425 1.725 0 40 FDAB CCS(=O)(=O)CC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 53116595 XVNGKIRIGYXCIS-UHFFFAOYSA-N 360.426 1.480 0 40 FDAB O=C(CN1CCOCC1)N1CCN(C(=O)NCCC2=CCCCC2)CC1 55044054 CVEKCNRTJABNIW-UHFFFAOYSA-N 364.490 1.063 0 40 FDAB CSc1nnc(CCCNC(=O)c2nccnc2N)n1C1CCCC1 42605469 YSNOJVFVTKQWCL-UHFFFAOYSA-N 361.475 1.850 0 40 FDAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 100355448 VBGOURWEMQKEQW-RHSMWYFYSA-N 368.320 1.961 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 1454629 WTYSURDATTXSAS-WDMOLILDSA-N 362.304 1.519 0 40 FDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 57354914 VHJQMLHEOWCFFI-ZDUSSCGKSA-N 350.438 1.961 0 40 FDAB CNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1 58166361 YSVQYDIRPZGBPN-UHFFFAOYSA-N 353.300 1.865 0 40 FDAB CCNC(=O)NC(=O)CN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 58169180 OVRBMDFKZTZVSP-HNNXBMFYSA-N 360.458 1.170 0 40 FDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)N(C)C)C1 58357180 PCIFBBXIRKVCQW-AWEZNQCLSA-N 366.483 1.809 0 40 FDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCSCC1)cn2CC(=O)O 36354706 ZDJSZQKOUIEEKE-INIZCTEOSA-N 364.423 1.909 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1=NN(C)C(=O)CC1 10905263 GVNFVANEKKOOHF-UHFFFAOYSA-N 353.426 1.773 0 40 FDAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(-n2cnnn2)cc1 12790636 NAUNOZYWTVGLJS-UHFFFAOYSA-N 356.411 1.873 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48312219 XUZXCGMWZNOPKE-NSHDSACASA-N 373.862 1.467 0 40 FDAB CN(CC(=O)Nc1ccccc1)S(=O)(=O)CCn1cnc2ccccc21 48302511 NFJMRNKKCRJSER-UHFFFAOYSA-N 372.450 1.937 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)Cn3c(C)cc(C)nc3=O)c2c1 12897576 CTMYDUYVEZTWIN-UHFFFAOYSA-N 354.410 1.709 0 40 FDAB biogenic Cn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O 3433391 CLCAGMHNIANBSA-UHFFFAOYSA-N 363.373 1.680 0 40 FDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13148658 NNKUMMYCKDGKMD-HUUCEWRRSA-N 358.394 1.977 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2C[C@H]1C 13460184 ZTWDTWUDHHAKCL-LLVKDONJSA-N 366.439 1.469 0 40 FDAB Cc1cccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)c1 49399714 NNIXRLVODAWIQI-UHFFFAOYSA-N 352.398 1.438 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnn[nH]3)cc2)cc1 6146419 FSPAGWSPIBITHK-UHFFFAOYSA-N 374.382 1.261 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)s1 14093594 WZNIIRRAOODYIL-BJOHPYRUSA-N 351.432 1.540 0 40 FDAB Cc1ccc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc(=O)c2c1 5350168 CBURNCSSPRURPE-UHFFFAOYSA-N 372.402 1.679 0 40 FDAB O=C(C[C@H]1C=CCC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 14140538 AOXDNOSOPCIHEG-HNNXBMFYSA-N 364.467 1.680 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 65617327 MGHAFFQIQZRPDT-UHFFFAOYSA-N 352.456 1.425 0 40 FDAB COCCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccnc1 8993652 HBYRBWYWRVCJDX-UHFFFAOYSA-N 370.409 1.103 0 40 FDAB Cc1cc(C)c(CNC(=O)CN2C(=O)CCOc3ccccc32)c(=O)[nH]1 7118498 PVVXHZWTWZZHQV-UHFFFAOYSA-N 355.394 1.424 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 8040081 SUGFHKMHLOSUSN-ZDUSSCGKSA-N 373.409 1.452 0 40 FDAB CCCNC(=O)C[C@@H](C(N)=O)N(CCC)CC(=O)N1CCc2ccccc21 96007153 MBJTVKPENOIXCF-KRWDZBQOSA-N 374.485 1.058 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnnn2C2CC2)c1 9549045 LAQQVRLMZQOWAA-SNVBAGLBSA-N 363.443 1.995 0 40 FDAB CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1 72313646 YFQSQNVOEOGNJG-UHFFFAOYSA-N 354.432 1.144 0 40 FDAB C[C@@H](NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1nncn1C 84668027 IKVHOZGURCTRMA-DIFFPNOSSA-N 366.466 1.869 0 40 FDAB COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 306144902 ZRWVKKRJUSRSBL-LSDHHAIUSA-N 370.457 1.124 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 89484457 AAMTWQJWVWOOGP-NVXWUHKLSA-N 369.531 1.133 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCOC)cc1C 408619706 IPVQFKDRYJPFGZ-CYBMUJFWSA-N 358.460 1.213 0 40 FDAB O=C1CCCN1CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 21870987 BQVSQEZPQXVAMW-UHFFFAOYSA-N 350.362 1.996 0 40 FDAB NC(=O)[C@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 546655501 HAWYTCZXWDPHGO-GOSISDBHSA-N 371.412 1.743 0 40 FDAB CCn1c(CCC(=O)N(C)OC)nc2cc(S(=O)(=O)N(C)C)ccc21 32320327 GQOYJACWXMEXIU-UHFFFAOYSA-N 368.459 1.259 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(F)c(F)c1F 548529382 GPNWHBUNKIPLDW-IONNQARKSA-N 353.318 1.262 0 40 FDAB CCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 408635679 HCMNBHIMZPQPFT-UHFFFAOYSA-N 364.851 1.170 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218120713 PHHKHNDRWBZAAR-BRWVUGGUSA-N 366.870 1.945 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCCC1 71281995 IOPDPRFYLVRIJK-UHFFFAOYSA-N 359.474 1.752 0 40 FDAB COc1ccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)cc1 70898270 XIRWOTRIUKPYIY-UHFFFAOYSA-N 369.425 1.457 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nnc(C2CCCC2)s1 72404497 XOZDEIQXWKUGOF-UHFFFAOYSA-N 356.411 1.939 0 40 FDAB CCOc1ccc(N(Cc2noc(CCC(=O)O)n2)S(C)(=O)=O)cc1 78400924 GYKGWXXWAKTRKH-UHFFFAOYSA-N 369.399 1.452 0 40 FDAB CC(=O)N1CCC(N(Cc2cncs2)C(=O)CN2CC[C@@H](C)C2)CC1 563400933 BIFAWPBHFQYIFI-CQSZACIVSA-N 364.515 1.824 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2C)CC1 227150095 LHXHMIADJCJQSF-HNNXBMFYSA-N 356.426 1.639 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCCO 225209337 SBEYDDBZKVOHDA-UHFFFAOYSA-N 373.500 1.149 0 40 FDAB CCc1cc(C(=O)N(Cc2nccn2C)[C@@H]2CC23CCNCC3)cc(O)n1 567906944 KMMUVPGZYBBLNY-MRXNPFEDSA-N 369.469 1.868 0 40 FDAB Cn1nc(C(=O)NCCn2cnc3ccsc3c2=O)c2ccccc21 225776342 WYCIYMFPDDAUIJ-UHFFFAOYSA-N 353.407 1.775 0 40 FDAB O=C(NCCCn1ncccc1=O)c1ccnc(O[C@H]2CCSC2)c1 225723346 XIYBXICCXDCXOB-AWEZNQCLSA-N 360.439 1.343 0 40 FDAB Cn1nc(C(=O)Nc2cccc3cccnc23)c2c1CCS(=O)(=O)C2 41070336 KPWRIVKGTLDSQC-UHFFFAOYSA-N 356.407 1.692 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 138542578 UTARYTBRPUDTLC-LYHUEXMXSA-N 366.417 1.907 0 40 FDAB COc1ccccc1CN(C)S(=O)(=O)c1nnc(NC(C)=O)s1 224885905 NWQUYZSOEWAUQB-UHFFFAOYSA-N 356.429 1.326 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 42016292 XZQIPMNEKHRWKQ-UHFFFAOYSA-N 374.462 1.699 0 40 FDAB CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccccc3)CCO2)n[nH]1 329890819 GVIPMZOGBRVSET-HOTGVXAUSA-N 355.442 1.936 0 40 FDAB O=C(c1ccc(Br)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 225702150 ZQEMHQZDVOWDBA-NSHDSACASA-N 353.172 1.642 0 40 FDAB Cc1cccc(CN2CCO[C@H]3CN(S(C)(=O)=O)CC[C@H]3C2=O)c1 96107156 XBIKWFPYLNXTMC-CVEARBPZSA-N 352.456 1.004 0 40 FDAB Cn1cccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 96219546 QVVWLUUFHLLUPO-IFXJQAMLSA-N 354.410 1.077 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCC(C)C)C2=O)cc1 96222828 FBGMUKIIWHTIQM-INIZCTEOSA-N 361.442 1.711 0 40 FDAB biogenic Cc1occc1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 96230506 VMPSGYWZVQHLNB-IBGZPJMESA-N 354.410 1.546 0 40 FDAB CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CCO1 95472619 VNVCVRAIDGNXSK-CHWSQXEVSA-N 356.426 1.990 0 40 FDAB Cc1cccc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)n1 247874847 NFCMJPYNXZGQCF-SFHVURJKSA-N 359.470 1.762 0 40 FDAB CCS(=O)(=O)N1CC2(C[C@@H](CCOc3cncc(C)n3)CCO2)C1 253601682 VVIAEFLLHZRLJK-AWEZNQCLSA-N 355.460 1.385 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CCc1cccnc1 257315424 VBGXZORSLMSETE-IBGZPJMESA-N 355.442 1.294 0 40 FDAB Cc1noc(C)c1CCC(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257218685 DECVTKFIYBQGER-SFHVURJKSA-N 359.430 1.162 0 40 FDAB COc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1Cl 257209802 BRYAJLAAVAMLDV-RDJZCZTQSA-N 354.834 1.903 0 40 FDAB O=C(/C=C/c1ccncc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257237717 HHVMURUMTUTSDI-WZHGYECESA-N 351.397 1.789 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 264957059 XVGKWVGUTSDHIO-NEPJUHHUSA-N 361.485 1.292 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCc1ccc(C(=O)c2cccs2)s1 85474151 XHBZPYTXMHCTGK-UHFFFAOYSA-N 362.432 1.806 0 40 FDAB CCc1noc(COC2CN(C(=O)Nc3cc(C)nnc3N(C)C)C2)n1 667477090 SVZFJLSSOCIAKA-UHFFFAOYSA-N 361.406 1.229 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)cc1C(=O)O 671647989 SMCVVUGLJUZBPH-LBPRGKRZSA-N 368.455 1.613 0 40 FDAB CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC(Cc4ccccc4)C3)c2C1 683090383 TYXLRYCAUGOFPG-QGZVFWFLSA-N 366.465 1.896 0 40 FDAB CC(=O)N1CC[C@@H](N[C@@H]2CN(C)C[C@H]2c2cncn2C)c2ccccc21 1775959926 HRRHHLXQFTYFEM-KZNAEPCWSA-N 353.470 1.905 0 40 FDAB COC(=O)CCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 604419489 FRJLBWWAFXKYFG-UHFFFAOYSA-N 374.846 1.563 0 40 FDAB CC(=O)N1CCc2c(NC(=O)[C@@H](C)n3cnc4c(N)ncnc43)cccc21 613584080 GSNQGSONRAJQGV-SNVBAGLBSA-N 365.397 1.517 0 40 FDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 572631932 MWANPUHHDSGXGJ-KRWDZBQOSA-N 367.467 1.971 0 40 FDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426679 YDKREBLUABTYHJ-INIZCTEOSA-N 368.480 1.823 0 40 FDAB Cc1nc(C(=O)N2CCC[C@@]3(CCN3CC(=O)N3CCCC3)C2)cs1 585101892 KLUPZLONFQETSD-GOSISDBHSA-N 362.499 1.754 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102803 IEPPEHQJDJQXLM-XLIONFOSSA-N 357.454 1.502 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(c2nc3ccccc3nc2N2CCCC2)C1 643714258 OSECDEBKDQRQQW-IBGZPJMESA-N 355.442 1.437 0 40 FDAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCCC1 13585778 HOEQHILLFFZIBA-UHFFFAOYSA-N 354.453 1.900 0 40 FDAB CCCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2CCOC)CC1 19503457 MHBOIYOBOYLPQB-KRWDZBQOSA-N 362.453 1.576 0 40 FDAB CCN(CC)C(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19526224 INNVYBCSUCSUSN-HXUWFJFHSA-N 373.453 1.429 0 40 FDAB CCN1CCN(C(=O)COc2ccc(N(CC)S(C)(=O)=O)cc2)CC1 19937795 DPBKKVWCCIHKBJ-UHFFFAOYSA-N 369.487 1.015 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643669523 PAGQAEMCBOVBQX-CYBMUJFWSA-N 351.432 1.673 0 40 FDAB Cc1nccn1C[C@@H](C)C(=O)N1CCC(n2nnc3cccnc32)CC1 12221647 DPHSCMKDASBGRW-CYBMUJFWSA-N 353.430 1.831 0 40 FDAB COc1cccc(N2CCN(C3CCN([C@@H]4CCOC4=O)CC3)CC2)c1 252495003 OKJQYDQFXDKELL-LJQANCHMSA-N 359.470 1.597 0 40 FDAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 5699232 IZJJGKJAJGVYPS-UHFFFAOYSA-N 368.393 1.980 0 40 FDAB Cc1noc(CN2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888876262 XIKYAMGMUJPVFB-OAHLLOKOSA-N 350.444 1.414 0 40 FDAB CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1Cl 28505915 NZGLVHNOQIITND-UHFFFAOYSA-N 353.831 1.915 0 40 FDAB O=C(c1cncnc1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984970 UBENCTGIHOHPDG-FQEVSTJZSA-N 366.421 1.905 0 40 FDAB O=C(N1CC[C@H]2OCCN(CCN3CCCC3)[C@@H]2CC1)C1(F)CCC1 1565552728 UQFQZVKWVRBRGT-IAGOWNOFSA-N 353.482 1.666 0 40 FDAB O=C1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1Cc1cccc(F)c1 1565550952 HVAAABCVYYROMI-UHFFFAOYSA-N 360.429 1.938 0 40 FDAB COC(=O)[C@H]1C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1ncn(C)n1 1565549097 PTUPHESSZQRCBR-JKSUJKDBSA-N 371.441 1.093 0 40 FDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)CC(=O)N4)CC[C@H]2C1 1565547843 OIMMXSAFSIVRRA-MAUKXSAKSA-N 357.454 1.753 0 40 FDAB Cc1cc(=O)n(CC(=O)NCc2ccccc2)c(-n2nc(C)cc2C)n1 4496077 FDCQKMFMKBAOJR-UHFFFAOYSA-N 351.410 1.671 0 40 FDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc(=O)c2ccccc2o1 9571073 ZCNROGHDWSNCLB-UHFFFAOYSA-N 365.324 1.838 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C)cc1 9827392 VKVHTZMNTRQARH-UHFFFAOYSA-N 362.455 1.551 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 10620036 SVOHWOIBVBDARU-UHFFFAOYSA-N 367.448 1.644 0 40 FDAB CCOc1ccsc1C(=O)N1CCC[C@@](C(=O)NC)(n2cccn2)C1 2055771962 MUCQRMFXSCLSQO-QGZVFWFLSA-N 362.455 1.721 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782049 DLOQVMFLTICORI-UHFFFAOYSA-N 371.441 1.646 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)C2)cc1 826838200 ONKSRUYKGCRMJS-GFCCVEGCSA-N 366.464 1.790 0 40 FDAB Cc1noc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 40039725 ZMXAESKGMBKSFS-UHFFFAOYSA-N 362.455 1.373 0 40 FDAB Cc1cnc2c(S(=O)(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cccc2c1 40049829 LAYVWPKYFFGYAE-CYBMUJFWSA-N 354.453 1.351 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)Cn1nc(O)c2ccccc2c1=O 40113849 QDPVVFVEZPWNIP-UHFFFAOYSA-N 367.405 1.914 0 40 FDAB CCCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 40160312 ZYWFEUAZQGYESL-MRXNPFEDSA-N 370.471 1.677 0 40 FDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 51467151 RPUMFSFXEMRSSK-HNNXBMFYSA-N 356.463 1.935 0 40 FDAB CC(C)(C)OC(=O)N(C(=O)c1ccc(N)cc1)[C@@H](CCC(=O)O)C(=O)O 2541730 VHRBJNXZFGUZQI-LBPRGKRZSA-N 366.370 1.964 0 40 FDAB O=C([C@@H]1CN(Cc2nc(C3CC3)no2)c2ccccc2O1)N1CCOCC1 29433204 ZQBXMRMGRRZVAH-INIZCTEOSA-N 370.409 1.573 0 40 FDAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-n2cnnn2)cc1 8391292 XEDZHCJPLZNQSO-UHFFFAOYSA-N 364.365 1.989 0 40 FDAB CN(Cc1ccccc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 20745880 AHDZYORHEAWLKV-UHFFFAOYSA-N 350.426 1.999 0 40 FDAB COc1ccccc1CNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 101447431 ULPBUIPULXQDTQ-INIZCTEOSA-N 353.378 1.145 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2654372 RDYDZUXHWXZWQY-UHFFFAOYSA-N 357.366 1.659 0 40 FDAB Cc1sc2ncn(CC(=O)O[C@@H](C)C(=O)NC(C)(C)C)c(=O)c2c1C 4373329 SBCXLEUFHHVSLX-JTQLQIEISA-N 365.455 1.921 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4476480 UZTXKVDUHYWFAX-CYBMUJFWSA-N 374.890 1.893 0 40 FDAB 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Cc1cc(=O)nc2sc(N3CCN(C(=O)CCc4ccco4)CC3)nn12 24925537 PYGVTMYPABPJGD-UHFFFAOYSA-N 373.438 1.334 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2nccs2)CC1 25393817 OKXYOGYZMPXWCQ-UHFFFAOYSA-N 372.372 1.672 0 40 FDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)o1 25739216 NWGDIHNQJIAGLS-RLWBPUTGSA-N 367.471 1.367 0 40 FDAB C[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCO2 35301197 WCZSKVDRZFBMLT-CYBMUJFWSA-N 374.466 1.871 0 40 FDAB C[C@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCO2 35301192 WCZSKVDRZFBMLT-ZDUSSCGKSA-N 374.466 1.871 0 40 FDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC1CC1 22249182 DIYPHVRNSFXYDQ-UHFFFAOYSA-N 374.846 1.018 0 40 FDAB COCCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3208357 RQFOVSQVEHMMIP-UHFFFAOYSA-N 370.471 1.206 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 113946906 AKXSSJKDVXOYII-XNRPHZJLSA-N 351.472 1.848 0 40 FDAB CCOc1ccc(CCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58186304 LLWAQEGTFYIBTG-UHFFFAOYSA-N 368.499 1.900 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2NC1=O 28488628 MMVRCUPFTPSXDY-JTQLQIEISA-N 355.350 1.522 0 40 FDAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 12737882 RVCBRQZOJMELSG-UHFFFAOYSA-N 366.425 1.724 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C 48274455 HGELCMVYCUDCKE-SNVBAGLBSA-N 362.473 1.316 0 40 FDAB Cc1cc(=O)n2nc(NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)sc2n1 48310858 ZEYMFWJAMLZCQO-VXGBXAGGSA-N 351.476 1.759 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 12855964 OKRRMLYLVDKWOZ-UHFFFAOYSA-N 359.382 1.585 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(=O)[nH]n1 12983320 WMLRRXMOUUNNES-UHFFFAOYSA-N 365.187 1.209 0 40 FDAB CCOC(=O)/C=C/C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1 5017962 NIVMBASZCZYLHJ-VOTSOKGWSA-N 352.339 1.558 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 6143701 CNKWPDOZPWWXTQ-UHFFFAOYSA-N 364.471 1.734 0 40 FDAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 6348023 KJXJQUFOEGPBQD-NSHDSACASA-N 369.377 1.928 0 40 FDAB CCC1(CC)NC(=O)N(C[C@@H](O)COCc2ccc(OC)cc2)C1=O 14242078 ZHYYNASFVVGFFR-CQSZACIVSA-N 350.415 1.683 0 40 FDAB CCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C)C2=O)C[C@H]1c1ccccc1 5437207 MKEGIIYXUZMRHO-ZDUSSCGKSA-N 356.382 1.179 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(N)s1 4681048 RUMXJKCMYZJIQH-SNVBAGLBSA-N 352.441 1.113 0 40 FDAB Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CCS(=O)(=O)O)C3)c2n1 66345568 PWDJVZCMMSQJKM-ONGXEEELSA-N 364.431 1.378 0 40 FDAB Cc1cc(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)nn1-c1ccccc1F 24644496 XOGPMQFSUGMXQT-UHFFFAOYSA-N 374.416 1.667 0 40 FDAB Cc1cc(C)c(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 8011981 QZSSYWKJCHGBNL-CYBMUJFWSA-N 354.410 1.803 0 40 FDAB CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 9452987 QFSRNCWSZUREKR-NSHDSACASA-N 363.382 1.946 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 19920560 KSYUYHVGINWRGN-QGZVFWFLSA-N 365.499 1.002 0 40 FDAB Cc1cc(N2CCN(C(=O)CSc3c[nH]nn3)CC2)nc(C(C)C)n1 97227678 FJEWENMURPAOTG-UHFFFAOYSA-N 361.475 1.467 0 40 FDAB 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362.411 1.061 0 40 FDAB CC(C)N(C)S(=O)(=O)c1ccc(CNS(=O)(=O)CC2CC2)cc1 267229615 RJHWQLVRYIOYAB-UHFFFAOYSA-N 360.501 1.545 0 40 FDAB COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)[C@H]2CN3CCC2CC3)c1 601445692 GOQLVJACEJQBPE-INIZCTEOSA-N 366.483 1.805 0 40 FDAB C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 289380286 LCSNIGAWFMGOQT-OWLYRPNTSA-N 358.486 1.134 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN2C(=O)CC[C@@H]2C1)N1Cc2ccccc2C1=O 613158863 IBFMDUSPVSZUAF-QAPCUYQASA-N 355.438 1.500 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 643757592 QQISXXSHTGKLMA-KRWDZBQOSA-N 350.850 1.690 0 40 FDAB CC(C)Nc1nc(NCCO)nc(N2CC(c3nc4ccccc4[nH]3)C2)n1 672235904 BDSRQVLQDGUMFU-UHFFFAOYSA-N 368.445 1.576 0 40 FDAB C[C@@H](C(=O)N1CCC(C2(NC(=O)c3ncn(C)n3)CC2)CC1)C(F)(F)F 1775992966 VXKJTWVYYXNMMB-JTQLQIEISA-N 373.379 1.515 0 40 FDAB COCCCCNC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 58225225 APOQXMVVXUXIDC-UHFFFAOYSA-N 363.458 1.898 0 40 FDAB NC(=O)CN(C(=O)CS(=O)(=O)CCCc1ccccc1)C1CCCC1 58396955 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GAWHWWJGZYEQTJ-OAHLLOKOSA-N 358.442 1.640 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)n(C)n1 2056223603 VYQBPKWYZWDYKF-IYBDPMFKSA-N 356.474 1.446 0 40 FDAB O=C(c1nc2c(s1)CCN(C(=O)C1CC(O)C1)CC2)N1CCCCC1 1565554339 OXKUTQAUPHCFFC-UHFFFAOYSA-N 363.483 1.467 0 40 FDAB COc1cc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)on1 2055745536 HXUVQAWTAJCVTJ-DIFFPNOSSA-N 363.345 1.670 0 40 FDAB CN(C)c1ccnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884582 PZDGBNQKRDBEDE-GFCCVEGCSA-N 355.389 1.006 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN([C@@H]2CCCC[C@@H]2O)CC1 585501188 BNROBEKCOKCXJQ-SJORKVTESA-N 357.458 1.445 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)cc1 206717008 QAZCRZTTWSRBMP-HNNXBMFYSA-N 354.384 1.644 0 40 FDAB CCc1nn2c(=O)cc(CNc3ccc(-n4cncn4)cc3)nc2s1 40072409 IPPLKHQJRLMXII-UHFFFAOYSA-N 353.411 1.906 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccc(Cl)cc3)ccc21 50142940 LNPGGIPGLDXRFG-UHFFFAOYSA-N 372.812 1.785 0 40 FDAB Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1C 30648276 PQZNGEBVDPBXPM-UHFFFAOYSA-N 365.437 1.299 0 40 FDAB COc1cc(C(=O)N[C@H](C)Cn2cccn2)cc(Cl)c1OCC(N)=O 31397992 ZMLPABAQFLFUMF-SNVBAGLBSA-N 366.805 1.228 0 40 FDAB C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)N1CCN(C)CC1 20476636 SEXVJPXXOXXJCD-LBPRGKRZSA-N 361.305 1.859 0 40 FDAB NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 101344660 ZXXJFGRXHYTOFZ-MKXGPGLRSA-N 373.412 1.683 0 40 FDAB CN1C(=O)C[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccc1 20735225 QVWLAADHGDLHTR-DOTOQJQBSA-N 373.434 1.492 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1 32437950 AAOFGLPNKMXHGL-UHFFFAOYSA-N 363.439 1.803 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 4207982 CZCFRGRXCHNTJK-MHGIMSBQSA-N 355.390 1.834 0 40 FDAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237245 YGPMEUHNGKYLRJ-UONOGXRCSA-N 353.426 1.842 0 40 FDAB biogenic,in-vitro C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 7131519 XUGXNDSVIPKVMU-APPDUMDISA-N 367.352 1.027 0 40 FDAB CCN1C[C@H](C(=O)O)C(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 21983733 YZGAZHWDQGGMJN-ONGXEEELSA-N 353.369 1.486 0 40 FDAB COc1ccc(C(=O)N2CCN(c3ncnc4c(C)nn(C)c34)CC2)cc1 28557370 DNMJJWYRFYDJFK-UHFFFAOYSA-N 366.425 1.643 0 40 FDAB Cc1nc(-c2ccc(NC(=O)N[C@@H](C)CN3CCCC3=O)cc2)cc(=O)[nH]1 69741212 KADRAEOXDGMPDA-LBPRGKRZSA-N 369.425 1.878 0 40 FDAB COc1ccc(-c2nc(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cs2)cc1 12409984 JXWDNCBCLDQZSS-LBPRGKRZSA-N 364.448 1.788 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 24590592 WCCIMHKVHXEJHU-CQSZACIVSA-N 373.453 1.883 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C 12596695 IAUKQFYZXOPOKY-ZDUSSCGKSA-N 369.487 1.758 0 40 FDAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 56501707 AMWGFFZMERJPOJ-CYBMUJFWSA-N 355.394 1.919 0 40 FDAB COC(=O)c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)o1 26202242 LSHYHPPBKUTZNF-UHFFFAOYSA-N 368.397 1.364 0 40 FDAB CCc1nc(N2CCC(C(=O)N3CCSCC3)CC2)[nH]c(=O)c1C 67257888 QLQQCUVUAWUDKW-UHFFFAOYSA-N 350.488 1.433 0 40 FDAB O=C(NCCN1C(=O)c2cc(Br)ccc2S1(=O)=O)C1CC1 44644536 DOEPEUFVEQWVNO-UHFFFAOYSA-N 373.228 1.120 0 40 FDAB CN1CCN(CCCNC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)CC1 22860587 TYSOGZHECGJGAW-UHFFFAOYSA-N 362.861 1.549 0 40 FDAB Cc1cccc(OCCCNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 10203043 GZEHETQBDCLXMP-UHFFFAOYSA-N 367.405 1.584 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3312418 JAMKKHBARFOEDV-UHFFFAOYSA-N 366.395 1.003 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)OC)c1 12919551 IQOUORRQCKHSPG-HNNXBMFYSA-N 368.455 1.495 0 40 FDAB O=C(O)c1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 13313992 MFEHJIUXMPAQOZ-UHFFFAOYSA-N 361.379 1.075 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 5054936 AGSYGIDSCOHBRL-UHFFFAOYSA-N 369.421 1.897 0 40 FDAB O=C1C[C@H](C(=O)Nc2cccc3ccccc23)NC(N2CCOCC2)=N1 9227004 UIGGNZVENWKFFU-MRXNPFEDSA-N 352.394 1.355 0 40 FDAB CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 5207777 LXZMMSNJOQMJRI-UHFFFAOYSA-N 357.389 1.844 0 40 FDAB COc1ccccc1[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N(C)C 14071742 XFVRSPOAAYHTKC-INIZCTEOSA-N 366.421 1.964 0 40 FDAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(C(=O)C2CC2)CC1 14066923 NIIVNBLUOVPTLE-UHFFFAOYSA-N 360.439 1.812 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)s1 14169026 RPBRCBFPYLTXGS-CQSZACIVSA-N 373.544 1.524 0 40 FDAB COc1cccc(-n2cnnc2SCc2nc(N)nc(N(C)C)n2)c1 8747193 YYBKXZADSLHQRN-UHFFFAOYSA-N 358.431 1.401 0 40 FDAB CCN(CC)CCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCC3 6759712 CDZWLEIOBNDCOJ-UHFFFAOYSA-N 365.455 1.140 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ncccn2)CC1 7086138 JWLDLFXLSWFXIL-UHFFFAOYSA-N 367.331 1.006 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C2=O 7141081 FWVCRDMYNAPWMJ-UHFFFAOYSA-N 358.398 1.225 0 40 FDAB COC(=O)c1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)nn1C 408560729 DYOQQLOWONNUJK-UHFFFAOYSA-N 350.327 1.452 0 40 FDAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)cc2)Oc2ccccc21 7985902 CGSPNOOPUNMSHH-KRWDZBQOSA-N 374.418 1.843 0 40 FDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1 8156390 RBTWUYXMSMECDB-UHFFFAOYSA-N 371.437 1.781 0 40 FDAB CC(C)(C(=O)N[C@H]1CCCc2cn(CC(N)=O)nc21)c1ccc(F)cc1 96002883 LBVXDYGBEIANNX-HNNXBMFYSA-N 358.417 1.979 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3nccs3)[C@H]4C2=O)no1 9306453 BVVFSEWLWPTESF-HNNUMXFLSA-N 358.379 1.365 0 40 FDAB CC(C)CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 9535949 XOKXCDFPDQRJOI-IBGZPJMESA-N 361.442 1.967 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc(OC)c1 97015155 CVTWDSIGMNDMBF-AWEZNQCLSA-N 366.443 1.388 0 40 FDAB C[C@H](O)CN1CCC(CN(C)C(=O)NCc2ccc3c(c2)OCO3)CC1 95396216 IPKGAQIMPDJIRS-AWEZNQCLSA-N 363.458 1.650 0 40 FDAB NC(=O)c1ccc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)o1 89780874 LKJPVARLPIQCDR-UHFFFAOYSA-N 354.366 1.928 0 40 FDAB CC(C)n1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20756222 IBAUKBPEXVRNMM-MRXNPFEDSA-N 354.410 1.882 0 40 FDAB biogenic COc1cc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)on1 72390754 AWFNGYNERVVRLZ-MRXNPFEDSA-N 371.441 1.805 0 40 FDAB COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(C)cc1 33737806 AJFXDOZTYJCSPK-UHFFFAOYSA-N 369.377 1.475 0 40 FDAB O=C(NC1CC1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325312 JIADLIYTZHCGDU-NSHDSACASA-N 351.453 1.863 0 40 FDAB CN(C)Cc1ccc(C(=O)N2CCC[C@]2(C)C(=O)N2CCOCC2)cc1 72392244 AHJUZKCKQLJLHU-HXUWFJFHSA-N 359.470 1.602 0 40 FDAB O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1C(CO)CO 38828833 KLDBEWOPWCUDQD-UHFFFAOYSA-N 371.784 1.285 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 565810618 OFAXNWUBDSDYBO-CFVMTHIKSA-N 372.437 1.823 0 40 FDAB NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 40399597 FIENMTNOIMKDJV-ZCFIWIBFSA-N 368.180 1.731 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1ccc(F)cc1 223667963 OFINFTNRTSIYTM-UHFFFAOYSA-N 366.414 1.787 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)c1=O 75163128 IXGFNZHNJVWHIS-UHFFFAOYSA-N 362.349 1.873 0 40 FDAB O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 96062417 JMRXSEHOQWQHJD-INIZCTEOSA-N 356.513 1.765 0 40 FDAB Cc1nc([C@H]2CCN(C(=O)Nc3ncn(Cc4ccccc4)n3)C2)n[nH]1 579210238 CLBROXPTQFTUSR-AWEZNQCLSA-N 352.402 1.774 0 40 FDAB CN1C[C@H]2C3(CCN(CC4CCOCC4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036294 QJRLBXVZXSLTOG-GHTZIAJQSA-N 363.546 1.925 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96043292 KOIKHQFWOTVOOS-IPELMVKDSA-N 359.470 1.399 0 40 FDAB CC(C)CN1C[C@H](C(=O)Nc2nc(Cc3ccc(F)cc3)n[nH]2)CC1=O 95474857 WMBFZJPGIDETSO-CYBMUJFWSA-N 359.405 1.978 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230541 UGHYKAZVRXKAKA-XTDOFWJNSA-N 362.401 1.803 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)C2(Cc3ccccc3F)CCOCC2)CCO1 257299580 RQQJUTCOHZWRSK-SFHVURJKSA-N 364.417 1.268 0 40 FDAB CC(C)C[C@@H](CN1CCCC1)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659404557 KMXLVPSJOMJHIY-RVKKMQEKSA-N 353.463 1.240 0 40 FDAB O=C1c2ccccc2CCN1CCNC(=O)N1CCOC[C@H]1CC(F)F 606444226 UEBVOACSMWHPJV-CQSZACIVSA-N 367.396 1.751 0 40 FDAB C[C@H]1OC2(CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)NC1=O 1615592826 VJXKZLQXCPDYSN-CQSZACIVSA-N 354.410 1.399 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1 643431041 UAVCCWOGXJWEAK-JTQLQIEISA-N 351.302 1.029 0 40 FDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cccc2c1OCCO2 585094779 MJTLCOTZYGFCNU-CYBMUJFWSA-N 357.410 1.795 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1F)[C@@H](C)C2 585097993 QDOCSNAPNYEVRY-NSHDSACASA-N 354.407 1.199 0 40 FDAB CO[C@]1(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CCSC1 96120688 RAXFZRWFZRMTQU-AWEZNQCLSA-N 365.423 1.935 0 40 FDAB CC[C@@H](C)[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)n1cnnn1 1615155133 MZZDQYLHPUSAPI-CZUORRHYSA-N 368.445 1.709 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 6266882 NAILXPLNWRQEDJ-SNVBAGLBSA-N 361.261 1.738 0 40 FDAB O=C(O)CCCCNC(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1 5944675 XDTYIEKVZVJMLH-UHFFFAOYSA-N 364.398 1.656 0 40 FDAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)NC[C@H]1CCCO1 12862551 VVWOZIYCTYBMAR-GHMZBOCLSA-N 365.434 1.574 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 13613164 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FDAB O=c1c2ncn([C@@H]3CCS(=O)(=O)C3)c2ncn1Cc1ccc(F)cc1 41104929 AKGNFSCYBNFFNE-CYBMUJFWSA-N 362.386 1.140 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2OC)s1 223524348 UXKDXWNGMWHXQZ-UHFFFAOYSA-N 370.456 1.716 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CN2C(=O)[C@H](C)NC2=S)s1 40066880 YCYJIWIEAIUMSE-VIFPVBQESA-N 361.514 1.384 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1N1C(=O)CCC1=O 225233509 SQEQCGJJFGGYQJ-NSHDSACASA-N 354.428 1.671 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 96036095 JGUYLAXRYIGMTN-KRWDZBQOSA-N 365.503 1.227 0 40 FDAB CCCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253450 BSVFYQNCIWDQSB-OWCLPIDISA-N 352.456 1.132 0 40 FDAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NN1CC(=O)NC1=O 97042212 WVIMCRDBAGSJHT-UHFFFAOYSA-N 352.709 1.639 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)cn1 96060731 NPNXEXAARCMSFX-MRXNPFEDSA-N 353.430 1.260 0 40 FDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96062378 HQKBSICHJWKJJC-GOSISDBHSA-N 360.483 1.846 0 40 FDAB 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COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC 17073111 GFYYRLPKCRIYDW-SNVBAGLBSA-N 352.774 1.870 0 40 FDAB COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCN(C)CC2)c1=O 22697829 OUNGZAROXGTCKG-LJQANCHMSA-N 372.469 1.241 0 40 FDAB O=C1CC[C@@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)CN1 575614904 ABEXTTDIXLJZEA-SNVBAGLBSA-N 371.363 1.107 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 575616046 OGYTYKDWYVHFEJ-UHFFFAOYSA-N 359.879 1.588 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)nc(O)c1F 1888834782 ULIFXRVWZUTKNV-RWMBFGLXSA-N 350.394 1.093 0 40 FDAB O=C(c1cscn1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888899177 VMEOMPSRUGANGM-LLVKDONJSA-N 370.438 1.999 0 40 FDAB Cc1nn(CCNS(=O)(=O)c2cn(C)cn2)c(C)c1-c1ccccc1 238875087 NVMVZPRWXJINGY-UHFFFAOYSA-N 359.455 1.879 0 40 FDAB COc1cc(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)on1 1565555258 DHCIKBQZMTZMLJ-SWLSCSKDSA-N 363.439 1.718 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@]2(CCN(C(=O)[C@H]4CCOC4)C2)CO3)cn1 1565554366 YKJNAKIKRZABJV-YWZLYKJASA-N 353.422 1.986 0 40 FDAB Cn1c(=O)c2c(SCc3cccnc3)nc(C3CC3)nc2n(C)c1=O 4061653 LHPNJOXWDAEVGN-UHFFFAOYSA-N 355.423 1.592 0 40 FDAB Cc1cnc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1 2055782272 YRSMUICYTYPRJI-UHFFFAOYSA-N 368.441 1.139 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772444 JIUDWEWQFPWROK-HNNXBMFYSA-N 360.380 1.925 0 40 FDAB O=C([C@@H]1CN(c2nccn3nccc23)CCO1)N1CCC(F)(F)CC1 2086884418 PJORJGQNMXORFY-ZDUSSCGKSA-N 351.357 1.192 0 40 FDAB Cn1ncc2c(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)ncnc21 585502685 WQEDJHMMBFOJBL-UHFFFAOYSA-N 365.441 1.325 0 40 FDAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1ccc(=O)[nH]c1 225737581 DLVLZLDMIIKAQG-UHFFFAOYSA-N 353.426 1.443 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 40154067 SKKOYNAJOGPFTQ-YPMLDQLKSA-N 370.365 1.091 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc(Br)c[nH]1 30686827 UEMFFGKXBCWQNL-UHFFFAOYSA-N 374.235 1.307 0 40 FDAB C[C@H](CNC(=O)CN1CCC(C(N)=O)CC1)c1nc2ccccc2s1 50958409 CFGUZRYDZRAOPS-GFCCVEGCSA-N 360.483 1.713 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 51342561 DFQZFBVUPUJETN-QRQLOZEOSA-N 370.497 1.730 0 40 FDAB CC(=O)N[C@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C(C)C 11586640 VOMLILTUBCTLJS-IBGZPJMESA-N 374.485 1.366 0 40 FDAB O=C(CCc1nnc2ccc(NCc3ccccc3)nn12)N1CCOCC1 9743014 AAXKFPPTBFCQFG-UHFFFAOYSA-N 366.425 1.528 0 40 FDAB CCNC(=O)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20744682 URVVIVJFLYGXTG-KRWDZBQOSA-N 362.405 1.186 0 40 FDAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCOC)cc2c1 4131984 KVIAJFUDYBUBEU-UHFFFAOYSA-N 363.483 1.406 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2)ccc1OC 8475985 DYIDCMVBDVODOM-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103233198 BCTGQIJXOQQSRZ-IIKVIHMASA-N 360.454 1.505 0 40 FDAB Cc1ccccc1[C@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 22757579 DYLBWJPCAYSQEE-LBPRGKRZSA-N 352.394 1.432 0 40 FDAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)O)cn12 105107764 XPTDOZIWEFWWDM-OAHLLOKOSA-N 352.398 1.311 0 40 FDAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813897 PJARHHIRRZAXIO-LLVKDONJSA-N 360.863 1.889 0 40 FDAB COC(=O)c1ccc(CCNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 58566362 MPUHILZAOVZZMF-UHFFFAOYSA-N 365.389 1.693 0 40 FDAB COCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 55158703 NQRGMPIIOKVHPK-INIZCTEOSA-N 365.499 1.072 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 24710341 XTPNXWOPPHTVTI-UHFFFAOYSA-N 374.418 1.612 0 40 FDAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 55591290 HCDQRJQSVGYQNQ-SNVBAGLBSA-N 358.847 1.853 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1F 56099889 SPKAMBMNKSXERF-NSHDSACASA-N 354.382 1.702 0 40 FDAB CCOC(=O)C1=C(CNCCOc2ccccc2OC)NC(=O)N[C@H]1C 58121304 OVWRKVLIFXMJMP-LBPRGKRZSA-N 363.414 1.182 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 10200265 PQSPSEJMIHCJCD-ZDUSSCGKSA-N 370.409 1.496 0 40 FDAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 12605074 AXECWLGVIXETST-UHFFFAOYSA-N 373.383 1.728 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)NC[C@@H]1COc2ccccc2O1 12764478 OHTJQJWPDJRSPY-CYBMUJFWSA-N 373.434 1.769 0 40 FDAB CN(CCCNC(=O)Cc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 48235942 HFCQHUPFRWCGLL-UHFFFAOYSA-N 352.378 1.646 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2cc[nH]n2)C(C)C)c1 48236063 IXSNDENDYXKULR-MRXNPFEDSA-N 360.414 1.498 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)CCC(=O)c1ccccc1 3437692 UUKPTIJPIKQYEK-UHFFFAOYSA-N 360.391 1.992 0 40 FDAB Cc1ccsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@H]2C1 306139882 UDKZRQDTINXPBY-CHWSQXEVSA-N 357.483 1.845 0 40 FDAB COc1cc(N2CC3(C[C@@H](COCc4ccccn4)CCN3C)C2)ncn1 306130842 JRBMOTCMVVHDFA-INIZCTEOSA-N 369.469 1.998 0 40 FDAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 4314279 RSMGCVZLVPLASR-CQSZACIVSA-N 373.457 1.601 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)OC)c2)C1 113972496 QMRIFNLWOFDTCU-ZDUSSCGKSA-N 354.428 1.473 0 40 FDAB Cc1nc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)c(C(N)=O)c(C)c1C 14119194 OJJDKZQPRGMWHH-AOOOYVTPSA-N 351.472 1.834 0 40 FDAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 6508706 DMZLAIVGDFKRFT-UHFFFAOYSA-N 367.390 1.824 0 40 FDAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 18994496 NDGXZSJSIAAFQC-UHFFFAOYSA-N 354.409 1.337 0 40 FDAB COc1c(Br)c(C[C@H]2CC(CO)=NO2)c(OC)c2c1OCO2 15085818 FBSFENLOVOZOLJ-MRVPVSSYSA-N 374.187 1.875 0 40 FDAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 7124789 ROGSFOHVLLLVKT-IBGZPJMESA-N 359.426 1.265 0 40 FDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccncc1)C2=O 8024411 CTPGKYIYWQYLDD-BFUOFWGJSA-N 358.442 1.835 0 40 FDAB O=S1(=O)C[C@H](NCc2ccco2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796893 MIXWKBPHNTUCPA-GJZGRUSLSA-N 355.437 1.009 0 40 FDAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 9314867 LRMJXHBCSQRTNE-YJYMSZOUSA-N 361.442 1.728 0 40 FDAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O 9725182 VWHBBNYZHLFHNZ-HUUCEWRRSA-N 362.474 1.784 0 40 FDAB COC(=O)c1cc(=O)c2cc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)ccc2o1 72324501 IEYKNHMQYZKWMO-KBPBESRZSA-N 359.334 1.875 0 40 FDAB biogenic O=C(CN1CCN(C(=O)CC2CCCCC2)CC1)N[C@@H]1CCSC1=O 84543930 SCRKHWBMDXTGBO-OAHLLOKOSA-N 367.515 1.249 0 40 FDAB CCOC(=O)[C@]1(C)CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 95428302 UTSSHKYSWUMLIJ-QGZVFWFLSA-N 365.430 1.043 0 40 FDAB Cc1cn2c(=O)c(S(=O)(=O)NCc3cccs3)c(C)nc2s1 20922120 RCRBEBUFZYNKKV-UHFFFAOYSA-N 355.466 1.913 0 40 FDAB O=c1c(-c2ccncc2)nnc2n1CCC21CCN(c2ncccn2)CC1 306123108 AEKSSMMJUQYPJG-UHFFFAOYSA-N 361.409 1.432 0 40 FDAB COC[C@H](C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327572 OUNXNQBBJZOYNT-VBKZILBWSA-N 374.437 1.554 0 40 FDAB Cc1cc(C)nc(Nc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)n1 56907631 PKLAKIVIGWMWEB-UHFFFAOYSA-N 360.443 1.631 0 40 FDAB CS(=O)(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 72334819 HTMNUTDKIMAPGP-UHFFFAOYSA-N 365.430 1.721 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O)c1ccc(Br)o1 225709888 HKXUFIBIJXJSNP-GAJNKVMBSA-N 365.183 1.884 0 40 FDAB COc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224358423 XKXYNEUHBJIAGA-UHFFFAOYSA-N 357.414 1.640 0 40 FDAB CC(C)Oc1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)n1 330461530 XMZRNTOQZHXLEV-CYBMUJFWSA-N 355.460 1.413 0 40 FDAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCCCn1ccnn1 576849520 ASXATUBXXUOVOV-CYBMUJFWSA-N 358.450 1.704 0 40 FDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(COCC(=O)N(C)C)C1 96110351 NQPOIFLOPHVYLD-WBVHZDCISA-N 353.488 1.537 0 40 FDAB CCOc1ncccc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 252503029 UXMSQIZOVXZHKD-UHFFFAOYSA-N 367.413 1.448 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(S(=O)(=O)C(C)C)C2)cc1 257284434 PCRQKRBLBGNHNT-QGZVFWFLSA-N 356.488 1.302 0 40 FDAB CC(C)c1nnc(CCC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)o1 257302518 SDEYXNADBORQGS-GOSISDBHSA-N 359.430 1.278 0 40 FDAB Cc1cc(C)n(CC(=O)NCc2cnc(CC3CCN(C)CC3)cn2)n1 257200254 ACPAKSIMPNDGKS-UHFFFAOYSA-N 356.474 1.491 0 40 FDAB O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 262164920 KWIIYXLQGZDOJI-MRXNPFEDSA-N 374.437 1.415 0 40 FDAB C[C@@H]1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@H]1CO 621370037 ANWFMPNNWUQEGN-KGLIPLIRSA-N 353.426 1.971 0 40 FDAB CN1C(=O)CC[C@H](C(=O)Nc2nc3ccc(F)cc3[nH]2)[C@H]1c1cnn(C)c1 683789697 HXUNSPWLAPLRNL-BLLLJJGKSA-N 370.388 1.984 0 40 FDAB NC(=O)[C@@H]1CC[C@H](C(=O)NC2(C(F)(F)F)CC2)N1Cc1ccccc1 1775956905 WEVFPKOFUIHZAP-QWHCGFSZSA-N 355.360 1.716 0 40 FDAB O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 575423199 ZGNCFXYCVSXYKY-PMACEKPBSA-N 374.506 1.436 0 40 FDAB COCCN1CC[C@]2(CN(Cc3cnn(C)c3C)CC(F)(F)C2)C1=O 585093403 UVPZSWIXTZIIBH-INIZCTEOSA-N 356.417 1.435 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3ccccc3OC)C2)CN1CC1CC1 585109682 ZKUKFULJGDERLO-QGZVFWFLSA-N 359.470 1.106 0 40 FDAB O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@H]1CN1CCCCC1 585096980 GJDNXFAEZUNTEQ-AWEZNQCLSA-N 356.430 1.279 0 40 FDAB Cc1ccn(CCC(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)n1 585271396 GMHBEEYMUNGKCK-LJQANCHMSA-N 359.426 1.251 0 40 FDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)Cc1ccco1 585096896 FDHJXYPTUBBCAO-CYBMUJFWSA-N 353.382 1.991 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(CN2CCOC2=O)cc1 69779007 FSLVQECVEYKSPW-CYBMUJFWSA-N 360.414 1.771 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)C23CCC(C(=O)O)(CC2)CC3)cc1 1610646682 MINHCEMAWJMJLU-UHFFFAOYSA-N 352.412 1.698 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615156556 KTHHEYIQOSVVNR-SFHVURJKSA-N 359.357 1.770 0 40 FDAB CCN1CCN(C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)CC1 5439617 QUORJCFXTYZGNH-UHFFFAOYSA-N 365.499 1.703 0 40 FDAB CN(C)CCN(C(=O)Cc1ccc2c(c1)OCCO2)C1CCN(C)CC1 12238236 VGKFVICDBMUSFQ-UHFFFAOYSA-N 361.486 1.485 0 40 FDAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 12569478 VCWGCAOKJPQZAV-KBPBESRZSA-N 358.394 1.984 0 40 FDAB COc1ccc2[nH]cc(NC(=O)NCCCN3CCCC3=O)c(=O)c2c1 13565911 XTNPUEZGSUGONU-UHFFFAOYSA-N 358.398 1.671 0 40 FDAB COCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 15867676 VBMOVVNRUNNEHF-UHFFFAOYSA-N 353.444 1.646 0 40 FDAB C[C@H]1COCCOC(=O)c2cccc(n2)C(=O)OCCOC[C@@H](C)O1 17108162 DCHRBABQISIBTJ-BETUJISGSA-N 353.371 1.236 0 40 FDAB CCc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)on1 19522763 NJIMZEHMRUBSDW-CQSZACIVSA-N 357.414 1.499 0 40 FDAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CN(C)C)CC2 19711595 WBMZEPCGPAZJJK-MRXNPFEDSA-N 374.489 1.038 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cnc21 19716120 VLFYCDUXAQKDQJ-CQSZACIVSA-N 367.409 1.549 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc2nsnc2c1 19748931 ABJVPYQIUVFAMG-GFCCVEGCSA-N 368.484 1.625 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)N(C)C1=S 8333756 ZABJHJZASROCIK-GHXNOFRVSA-N 364.423 1.585 0 40 FDAB CCc1ccc(CC)c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 6033734 FEIPIXSRGDPDMA-UHFFFAOYSA-N 354.410 1.441 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)n1 1888860235 CRRGMQFCNDGBLA-ZIAGYGMSSA-N 369.450 1.302 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)nc(O)c1F 1888864278 GDCNMWWJSGVWRB-RYUDHWBXSA-N 361.377 1.443 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(c2cc(=O)n(C)c(O)n2)CC1 1889078510 IFGUBQNNXGGZIE-UHFFFAOYSA-N 350.810 1.035 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)N1CCC(C(=O)Nc2ccccc2O)CC1 15043709 HOBYOPICEIMHOJ-AWEZNQCLSA-N 361.442 1.290 0 40 FDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)C3CCOCC3)[C@@H]2CN1 2037984517 DBXMYDCNBQFQIX-JFIYKMOQSA-N 362.401 1.062 0 40 FDAB Cn1ccnc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984554 FOGFCKULZCSYGQ-IBGZPJMESA-N 354.410 1.316 0 40 FDAB COc1cc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)on1 1614932902 DSWVLXFXLJSAOA-LSDHHAIUSA-N 360.414 1.669 0 40 FDAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 8863627 WCUGSBCBTVXBAI-MRXNPFEDSA-N 361.467 1.792 0 40 FDAB COC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21 100825279 SDGJDFVRLACGNH-NXVVXOECSA-N 368.436 1.591 0 40 FDAB O=C(COc1ccc(Cl)cc1Cl)N1CC(CN2C(=O)CCC2=O)C1 585148713 CXKFSCPKITUETR-UHFFFAOYSA-N 371.220 1.980 0 40 FDAB O=C(CN1CCC(C(=O)N2CCSCC2)CC1)NCc1ccco1 2298106488 KNNRWVXBZNFNDA-UHFFFAOYSA-N 351.472 1.183 0 40 FDAB Cc1cc(=O)n2nc(N3CCN(CCOc4ccccc4)CC3)sc2n1 40039769 WFXREDMMUBPZSH-UHFFFAOYSA-N 371.466 1.660 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1)N1CCCCC1 40009950 HUZBFUDGFIVRQS-UHFFFAOYSA-N 365.861 1.816 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(-c2ccn[nH]2)cc1 40154644 RMLSWPWRCHZPTQ-UHFFFAOYSA-N 353.382 1.011 0 40 FDAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1cccc(NS(C)(=O)=O)c1 40107024 YGLOGEVVRLEPDD-LBPRGKRZSA-N 373.438 1.680 0 40 FDAB Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCCCO)n3)cc2)n1 32103075 NJYXUERQEUNLLJ-UHFFFAOYSA-N 355.398 1.710 0 40 FDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1F 20737811 BPQMGESDIYEILJ-UHFFFAOYSA-N 368.368 1.792 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2cccc(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4559885 IHIIXTOFXQNUHT-BQJWPVKWSA-N 351.399 1.116 0 40 FDAB CC(C)CCNC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 6368386 OWRNJMBPQYJBIU-FZKQIMNGSA-N 367.446 1.193 0 40 FDAB NC(=O)C1=C(S)NC(N)=C(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 6424063 OXOXPZZRZBZIDM-CYBMUJFWSA-N 366.446 1.809 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1 2652347 PPSCTBYWECXJJB-UHFFFAOYSA-N 366.370 1.529 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C 6530525 CSTHWQRVKRQYAP-CPUCHLNUSA-N 367.515 1.407 0 40 FDAB C[C@@]1(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)NC(=O)NC1=O 32818920 DRUUNNCVGAZZIH-INIZCTEOSA-N 363.370 1.681 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCCc2ccccc2)c1=O 6678859 DNIQGJBQZQGNJT-UHFFFAOYSA-N 357.435 1.604 0 40 FDAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679668 GBISUJNJGPZTCL-UHFFFAOYSA-N 359.407 1.087 0 40 FDAB COc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc(Cl)c1OCC(N)=O 57553658 MXVTZYKJFHSDFI-LLVKDONJSA-N 367.833 1.179 0 40 FDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccccn1 8284882 PERMIIHNRJJSGI-UHFFFAOYSA-N 354.410 1.629 0 40 FDAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 8216341 OQLFOPKQIKWIAO-GHMZBOCLSA-N 358.427 1.942 0 40 FDAB COCCNC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 53229617 NHXMVYWRRPVNTG-INIZCTEOSA-N 367.421 1.279 0 40 FDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)COC 22624883 GUNXWXOZZZDJBV-GXTWGEPZSA-N 367.471 1.435 0 40 FDAB COc1c(Br)cc(F)cc1NC(=O)Cn1ccc(=O)[nH]c1=O 23671835 KGDLFEOHZOUEEN-UHFFFAOYSA-N 372.150 1.086 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccccc3F)CC2)C1 108533373 KTTBLGRGNGHWKA-ZDUSSCGKSA-N 370.446 1.529 0 40 FDAB O=S(=O)(N1CCCC1)N1CCN(c2ncccc2C(F)(F)F)CC1 47510660 SIKQPFLVPAMTDC-UHFFFAOYSA-N 364.393 1.563 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1 108535412 LBEOEEBLDSAKMR-OAHLLOKOSA-N 356.463 1.889 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2C[C@H](C)OC2=O)c1 8392466 WRUFBZZYJZZYTB-HZMBPMFUSA-N 373.402 1.717 0 40 FDAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)NC1CC1 8313676 FIGGLDWUIHXRBE-CYBMUJFWSA-N 354.428 1.045 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccccc1F 24660100 QRAKLIXAZPDTLB-CYBMUJFWSA-N 358.369 1.854 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)O)c1 10021476 ASMFMRAEAXLFDT-ZDUSSCGKSA-N 372.468 1.317 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 58263725 FCBSAORIAJUKJF-UHFFFAOYSA-N 357.457 1.434 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)C[C@@H](C)CC3 2239062 TXPSLAVGQZPNHE-DTWKUNHWSA-N 359.455 1.883 0 40 FDAB CN(C)c1nc(N)nc(CSc2nc3ccccc3c(=O)n2C2CC2)n1 11278796 HLKDPTSFDJLMCT-UHFFFAOYSA-N 369.454 1.857 0 40 FDAB O=C(CCc1nc(-c2ccncc2)no1)N1CCN(c2ncccn2)CC1 11430654 JGICQZGDDRTWLB-UHFFFAOYSA-N 365.397 1.203 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 3314262 RHZYSCBNJZTEHD-UHFFFAOYSA-N 359.382 1.855 0 40 FDAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(C)o2)c(=O)[nH]c1=O 12863170 ILOWZVQFFNQNGN-UHFFFAOYSA-N 364.402 1.114 0 40 FDAB Cc1csc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)n1 3431743 LRSPAJTVZSUMDF-UHFFFAOYSA-N 350.425 1.380 0 40 FDAB Cc1nc2ncnn2c(C)c1CC(=O)NC[C@H](c1ccco1)N1CCCC1 12925857 XBLCHPWCGGPSLX-MRXNPFEDSA-N 368.441 1.830 0 40 FDAB Cc1cccc(C(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 14189117 ZADJUAMREXLJBR-UHFFFAOYSA-N 372.425 1.401 0 40 FDAB O=C(c1ccccc1)N1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 8981902 FGMODOOUCMHIFJ-IAGOWNOFSA-N 353.422 1.353 0 40 FDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 97020808 YGHMNRWOXPGGEP-GFCCVEGCSA-N 354.819 1.554 0 40 FDAB O=C1NC[C@H]2CN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CCN12 79024421 CQDFWJWBVIBFKX-LBPRGKRZSA-N 367.331 1.965 0 40 FDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(F)cc1 72284051 BYHZZAXZVCQPPL-HUUCEWRRSA-N 352.406 1.855 0 40 FDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709404 SFBLEVGFIUMMDG-CQSZACIVSA-N 371.393 1.443 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 79110612 YFOUQXWZRCIWDQ-UHFFFAOYSA-N 370.457 1.169 0 40 FDAB CCC(=O)NCCNc1nc(C)nc2c1CCN(Cc1ncc[nH]1)CC2 72462641 QXNYPVKZQKTYEK-UHFFFAOYSA-N 357.462 1.047 0 40 FDAB COc1cc(C)c(S(=O)(=O)N(C)CCc2cnccn2)cc1OC 95457548 WPAZYCFSUOTNNB-UHFFFAOYSA-N 351.428 1.665 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)C2)nn1 95997862 RNSGBOVJRQJPQH-UHFFFAOYSA-N 364.409 1.434 0 40 FDAB Cc1nc(CN2CCN([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)no1 95959685 APFVSQKSABYXGI-LLVKDONJSA-N 364.475 1.596 0 40 FDAB O=C(CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1)N1CCCC1 25197140 JNUNRZCJDVJXDC-UHFFFAOYSA-N 367.453 1.253 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(c4ccc5nncn5n4)C[C@@H]23)n1 306130873 JRPJUDOKHQYTCK-KKUMJFAQSA-N 367.413 1.143 0 40 FDAB COc1ccc2c(c1)CC[C@H](C(=O)N1C[C@@H]3OCCN(C(C)=O)[C@H]3C1)C2 1552892651 KRCNWWJHDZNREB-WDSOQIARSA-N 358.438 1.258 0 40 FDAB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218611501 NQOYUQOQQJGVHR-VKJFTORMSA-N 368.499 1.982 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc21 36752304 LSTTXHDPECMXCH-UHFFFAOYSA-N 363.377 1.226 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2ccc3nc(C)sc3c2)C1=O 39987728 GUPZNSPAORVBSJ-MRXNPFEDSA-N 361.427 1.768 0 40 FDAB O=C(Nc1nc(C(=O)N2CCN(c3ccccn3)CC2)co1)c1ccco1 62023047 HAJLWIAYNKUILJ-UHFFFAOYSA-N 367.365 1.877 0 40 FDAB O=C(COC[C@H]1CCOC1)N1CCN(c2cncc3ccccc23)CC1 188763393 AVBSOXYRSDXOHY-INIZCTEOSA-N 355.438 1.937 0 40 FDAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCCCN1CCOCC1 199421127 AMMWQOITTQTXGS-QGZVFWFLSA-N 355.523 1.938 0 40 FDAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223297457 BKQGUMLPSFDTKH-UHFFFAOYSA-N 350.396 1.750 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 44816261 UDFXTGWEMGYAAW-DZGCQCFKSA-N 356.378 1.584 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccccc2Cl)C1 225677589 SNEJKGLGFAGGLC-UHFFFAOYSA-N 353.831 1.301 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cnn3cccnc23)o1 95479002 CSNYCCSJIRNBEE-LLVKDONJSA-N 359.338 1.230 0 40 FDAB CS(=O)(=O)[C@](Br)(I)[C@@H](O)C1CC1 96521070 CBFODURESBYQGA-NTSWFWBYSA-N 369.018 1.286 0 40 FDAB Cc1cccc(COC[C@]23CCCO[C@H]2CCN(S(C)(=O)=O)C3)n1 96040169 ZXLACSUWMROTBZ-DLBZAZTESA-N 354.472 1.737 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 96160129 WLIBTVVFEARNDK-QFBILLFUSA-N 354.410 1.962 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cccnc2)O1 96057559 NRODQZOAAFDJSL-BRWVUGGUSA-N 355.394 1.753 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCCN1CCCC1 96220723 BTOKIRQDPUBCBD-GBESFXJTSA-N 358.486 1.273 0 40 FDAB CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1cccc(F)c1)CCC2 96068092 SJLWCUCCQZOYIO-UHFFFAOYSA-N 358.417 1.419 0 40 FDAB Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cn1 96259350 LPWLFFSLJRHKBM-UHFFFAOYSA-N 353.426 1.755 0 40 FDAB Cn1c(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 96231993 VWGOANIGOMDTQS-UHFFFAOYSA-N 361.405 1.711 0 40 FDAB Cc1ccc(CN2Cc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)s1 96187561 QUVOMLJYVAENQB-UHFFFAOYSA-N 359.499 1.693 0 40 FDAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248061732 ZBWNBYKUNFBPOB-IDLUEMFASA-N 357.454 1.619 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cnc(N(C)C)nc2)nc1 257272890 NEGHGTWXEYABSA-GOSISDBHSA-N 354.458 1.911 0 40 FDAB CCn1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)c(C)n1 257293586 QQGABBWUSQLYLM-LJQANCHMSA-N 357.458 1.710 0 40 FDAB COCC1(O)CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 270807999 XVFOPTSLCFNMIG-UHFFFAOYSA-N 361.486 1.048 0 40 FDAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC3(CC2)NC(=O)CO3)cc1 1615589142 ISHKXSWYSLWBPY-JKSUJKDBSA-N 359.426 1.589 0 40 FDAB Cn1cnc2c1CCN(Cc1nc(O)c3cnn(-c4ccccc4)c3n1)C2 600733754 PFGHCXSDZVZHOU-UHFFFAOYSA-N 361.409 1.813 0 40 FDAB Cn1nc2c(c1S(=O)(=O)N1CCc3cccc(C(=O)O)c31)CCCC2 630418164 HPRVQZLXJJRURK-UHFFFAOYSA-N 361.423 1.749 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cnn4cccc(Cl)c34)C2)nn1 659164854 VODJDHZKXPQWHG-SNVBAGLBSA-N 374.788 1.755 0 40 FDAB Cc1cccc(CN2CCC3(CC2)Cn2nc(C(=O)N(C)C)cc2CO3)n1 1775961925 IZXRKAHRNJUBSE-UHFFFAOYSA-N 369.469 1.853 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)c1 575403907 KSXHBTPCZSONBR-IPMKNSEASA-N 365.433 1.907 0 40 FDAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@]1(O)CCCOC1 585091638 CQAQFHJQWYFECQ-UXHICEINSA-N 373.453 1.115 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(F)c(F)c3)C2)OC1 585105255 ROMCEUCNBXEDOI-CQSZACIVSA-N 374.453 1.885 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)C1CC(F)C1 585098647 VYTBDQOIGILNSO-IYXRBSQSSA-N 374.416 1.986 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)n1 585177440 FIWDYHYOLGIGES-HNNXBMFYSA-N 369.473 1.895 0 40 FDAB Cc1nn(C)c2nc([C@]3(C)CCCN(S(=O)(=O)N(C)C)C3)ccc12 585178930 VLJVAGLXWAWSBI-MRXNPFEDSA-N 351.476 1.437 0 40 FDAB CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCCO1 670303332 VWZAZJOWZIIDNC-SOUVJXGZSA-N 370.519 1.984 0 40 FDAB CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1cccnc1N(C)C 58203437 IJJHNMHTUATFJU-UHFFFAOYSA-N 369.469 1.996 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C[C@@H](C)O1 55289710 KJAYBKFTXZYRGL-IOASZLSFSA-N 359.467 1.372 0 40 FDAB CN1CCN(c2ncccc2CNC(=O)c2c[nH]c3cccnc23)CC1 547757720 BXNFEHBPKVSLGH-UHFFFAOYSA-N 350.426 1.640 0 40 FDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)c2coc3cc(O)ccc23)c1 1632065342 WMBBBOOSBJEWFU-UHFFFAOYSA-N 364.354 1.855 0 40 FDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12275064 LYLQTYRNOZZUKG-HNNXBMFYSA-N 351.472 1.576 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N(C)Cc3nonc3C)CC2=O)c(OC)c1 19559077 WHLDXVLDPBDJJL-LBPRGKRZSA-N 374.397 1.407 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)/C=C/C(=O)O)C=C1COC(=O)[C@]12O 230140748 VRZDHXFAIKNSLX-OFXNJRKYSA-N 364.394 1.600 0 40 FDAB biogenic,in-vitro COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1452394 SDCDYSAFASBWLV-LBPRGKRZSA-N 354.428 1.153 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O 3527648 HIGGQIUJGKHQCD-LJQANCHMSA-N 372.425 1.612 0 40 FDAB COC(=O)c1ccc2c(=O)[nH]c(CSC3=NCC(C)(C)CN3)nc2c1 7760117 VIJFTGLWWLCTEE-UHFFFAOYSA-N 360.439 1.928 0 40 FDAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1 10795526 WQERYWCXWWXRFK-JTQLQIEISA-N 366.370 1.657 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888860381 PTGCJCKCZKTZPP-VXGBXAGGSA-N 360.439 1.059 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4c3ncn4C)CC2)c1C 1888876142 MPAYWVPZQFJIJX-UHFFFAOYSA-N 364.457 1.974 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ncc(C)cn5)C[C@H]4C3)ncnc21 1888897113 DJGSRLCMTJSOPC-ZIAGYGMSSA-N 350.430 1.517 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 1889091603 QPFXGBDKCYTBRK-UHFFFAOYSA-N 353.474 1.846 0 40 FDAB O=C1COC[C@]2(CN(Cc3ccccn3)CCO2)CN1c1ccccc1 2037978267 MEEDPLCTNUMRIY-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB COC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(CCO)cc3)C2=O)cc1 100099246 KQINIQGYGQVAKD-QGZVFWFLSA-N 368.389 1.752 0 40 FDAB O=C(NCc1ccon1)[C@@H]1CN(Cc2nccs2)CC12CCOCC2 1615062922 USSDNXLNDHJOCX-AWEZNQCLSA-N 362.455 1.676 0 40 FDAB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1csnn1)C2 1565553966 NHOCLTYYYSWABL-UHFFFAOYSA-N 360.443 1.594 0 40 FDAB CCOC(=O)Cc1nnc2c(N(CC)c3ccccc3)nc3nonc3n12 675365 LIPAUTUHVBLHND-UHFFFAOYSA-N 367.369 1.924 0 40 FDAB CCC(=O)NCCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 11796598 UUAYKNJZKXXQSA-UHFFFAOYSA-N 353.488 1.363 0 40 FDAB CC(C)CC(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771672 QICRCCAGGILXQX-HNNXBMFYSA-N 360.380 1.925 0 40 FDAB COc1cccc2cc(C(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)oc12 1775966152 UOOGOSDMMXYBOS-UHFFFAOYSA-N 370.340 1.860 0 40 FDAB O=C([C@@H]1CCCN(c2ccc3nncn3n2)C1)N1CCC(F)(F)CC1 2298192568 AMVCPPXRSXUSFD-GFCCVEGCSA-N 350.373 1.598 0 40 FDAB COCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccc(OC)cc2)c1N 19592806 LWPMHLFFXOSZPH-OAHLLOKOSA-N 358.398 1.283 0 40 FDAB COc1ccccc1NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100635920 CPPAACPROCJKKS-GVAFMPQTSA-N 355.394 1.624 0 40 FDAB aggregator C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(O)cc1 32096349 CGRAXZQVUJNLPF-UONOGXRCSA-N 367.405 1.889 0 40 FDAB CCOC(=O)c1csc(C2=C[C@@H](OC(C)=O)[C@@H](OC(C)=O)CO2)n1 1086111 PVVMXTGQKPELSR-YPMHNXCESA-N 355.368 1.554 0 40 FDAB COc1ccc(CCNC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 32651914 IFLFMGYVUKDLTO-UHFFFAOYSA-N 352.394 1.304 0 40 FDAB Cc1nn(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1Br 2782604 WQUVVHXWCJXNNO-UHFFFAOYSA-N 365.235 1.243 0 40 FDAB CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 838145 MYBQRHATNBQDBY-UHFFFAOYSA-N 367.453 1.718 0 40 FDAB biogenic C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 22912482 NOVPFLUTAUCBQO-HNNXBMFYSA-N 362.449 1.393 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 100123881 XUVRVTIIIDQCKO-QMLHBMHXSA-N 368.433 1.771 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)C1 76900993 ILIJENYIOCCQBK-MSOLQXFVSA-N 363.433 1.326 0 40 FDAB C[C@]12CC[C@H](O)[C@@](C)(CO)[C@@H]1[C@H](O)C[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 102948736 SOPHJADXFALVLH-RPTZNYKWSA-N 354.487 1.057 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1sc2ncn(C)c(=O)c2c1C 24726542 LLTFFXAYWDSFMU-SNVBAGLBSA-N 351.428 1.621 0 40 FDAB CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 56077158 YLQSBUIJCHFBBC-UHFFFAOYSA-N 355.847 1.988 0 40 FDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 57817542 QNHMDINHDSHUCO-INIZCTEOSA-N 360.476 1.327 0 40 FDAB CC1=C(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)C(=O)OC1(C)C 58183198 JLTFSNUNMLWSPY-UHFFFAOYSA-N 357.410 1.911 0 40 FDAB O=C(CCn1ccnc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 58281159 RXJDKPJOGCOBNT-UHFFFAOYSA-N 374.422 1.983 0 40 FDAB C[C@@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)n1ccnc1 58292243 LMJXPKUNUPOMJQ-NSHDSACASA-N 352.391 1.762 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCc1ccccc1 3376854 OCYJHVJBTCJYGR-NRFANRHFSA-N 363.417 1.739 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(F)cc1 3308790 IWPWSNZZCDXLEK-HXUWFJFHSA-N 367.380 1.835 0 40 FDAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 2238025 DMTQJFAGBXDHRC-UHFFFAOYSA-N 361.427 1.567 0 40 FDAB CCN1CCCC[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 48355802 DRRDRBCRXJXACB-CQSZACIVSA-N 350.463 1.232 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 48325311 RZFWJQNSLBHWCH-AWEZNQCLSA-N 350.415 1.983 0 40 FDAB O=C(CC1CCCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 18151498 LTFAOFHZULLMKS-UHFFFAOYSA-N 366.483 1.904 0 40 FDAB COC(=O)c1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 12986232 OIRBEMNNAMXJBK-UHFFFAOYSA-N 367.361 1.505 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13237271 LZGJIZLJGGGOGX-CQSZACIVSA-N 360.414 1.378 0 40 FDAB O=C(Cn1nnc(-c2cccs2)n1)N1CCN(c2ccccn2)CC1 8855773 NSJGPIVRLRIWTH-UHFFFAOYSA-N 355.427 1.145 0 40 FDAB Cc1nc(C)c(CCC(=O)NCCc2ccc3c(c2)OCCO3)c(=O)[nH]1 13985142 OXQABDWHVNQBCM-UHFFFAOYSA-N 357.410 1.449 0 40 FDAB COc1cccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c1OC 9547853 UTBCXDAFTPBUCD-RHSMWYFYSA-N 363.435 1.983 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2cc(C)nn2C)c1C 14140611 CDFDNDZJVDJWTB-UHFFFAOYSA-N 362.386 1.646 0 40 FDAB Cc1cc2nc(SCC(=O)N3CCOCC3)n(C(C)C)c(=O)c2[nH]1 67239509 KDRLWXUYJHLWFL-UHFFFAOYSA-N 350.444 1.565 0 40 FDAB CCOC(=O)/C=C/C(=O)OCc1c(C(=O)OC)sc(N)c1C(=O)OC 7778552 DNHRNKXNKGXQIL-AATRIKPKSA-N 371.367 1.066 0 40 FDAB COc1ccccc1N1C(=S)N(CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 9304755 DOFHOVNSJGWSEY-KGLIPLIRSA-N 354.497 1.924 0 40 FDAB CC(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 9419588 DGFRPBIMMGNSMS-OAHLLOKOSA-N 357.332 1.812 0 40 FDAB O=c1c2ccc(F)cc2ncn1C[C@@H](O)CN1CCc2ccccc2C1 71825038 PPTZIUGHKQJZTB-KRWDZBQOSA-N 353.397 1.955 0 40 FDAB O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3cccnc3)cc2[nH]1 84425158 LADWFZZTXAGKAP-UHFFFAOYSA-N 369.200 1.815 0 40 FDAB C[C@]1(CCCO)CCCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 95454487 VVRSIYKOIDHYRR-QGZVFWFLSA-N 369.487 1.566 0 40 FDAB CCOCCOc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 84802732 DKDHAYKERTZALH-JKSUJKDBSA-N 368.499 1.959 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997948 KUNOJZGFRIIUNN-UHFFFAOYSA-N 350.426 1.921 0 40 FDAB CN1CCN(CC2CC2)[C@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306139531 SZQFMHVGHJACRT-SFHVURJKSA-N 355.486 1.869 0 40 FDAB CC(C)n1cc(CN2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)cn1 306126348 DTDKCSXJYHVFSD-OAHLLOKOSA-N 366.491 1.157 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30851107 LDOCJUIAEWTBMM-QGZVFWFLSA-N 368.499 1.424 0 40 FDAB C[C@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 31164280 KUMUOJWJSYMCFI-OVZGEXIGSA-N 364.737 1.646 0 40 FDAB biogenic,in-vitro CCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409388508 DCLQXUFHDULWBK-UHFFFAOYSA-N 362.451 1.988 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(C[C@@H]2Cc3ccccc3O2)CC1 71279479 DIGCUCQGFAZLBE-USXIJHARSA-N 358.438 1.491 0 40 FDAB COCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 72382716 OYCVEIWJXBTVSK-CQSZACIVSA-N 356.430 1.898 0 40 FDAB CN(C)C(=O)CN1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359611 HSIVTLIAYLCJNZ-KRWDZBQOSA-N 354.454 1.904 0 40 FDAB Cc1nn2cc(CNC(=O)C3(N(C)C)Cc4ccccc4C3)nc2s1 39489727 GTWKQJNBFSAUNA-UHFFFAOYSA-N 355.467 1.815 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C 72347094 ITYRNNMPVKOTLT-UHFFFAOYSA-N 368.441 1.175 0 40 FDAB CN(CCO)c1nc(NCCO)c2cnn(-c3ccc(Cl)cc3)c2n1 40217219 IHFODPDNMKNIHR-UHFFFAOYSA-N 362.821 1.302 0 40 FDAB O=C(c1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224327905 QICIICFEERZPQT-UHFFFAOYSA-N 353.426 1.276 0 40 FDAB CCc1noc(C)c1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 329937080 RWRLQMMSYFHEHU-GJZGRUSLSA-N 363.437 1.964 0 40 FDAB CC(C)N(C[C@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C 48273829 FVRRPTPLNZVXQS-KBPBESRZSA-N 370.494 1.927 0 40 FDAB O=c1c2ncn([C@H]3CCS(=O)(=O)C3)c2ncn1Cc1ccc(F)cc1 41104930 AKGNFSCYBNFFNE-ZDUSSCGKSA-N 362.386 1.140 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1OC 45896157 ZDNQWPCMXPJYGQ-GFCCVEGCSA-N 361.358 1.161 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)/C=C/c3cccs3)n2)n1 77196951 RBGBKTMWYHZPKC-FNORWQNLSA-N 369.450 1.937 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3cccnc3)C2)CN1c1cccc(F)c1 96240120 WUERBGMFKHCOQN-FQEVSTJZSA-N 371.412 1.855 0 40 FDAB CCc1cnc(N2CCC3(CC2)[C@@H]2CN(CCOC)C[C@@H]2C(=O)N3C)nc1 96143550 KIKMDJLSVXSQDE-DLBZAZTESA-N 373.501 1.044 0 40 FDAB Cn1cc(CN2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)cn1 96058474 QESQRGGAOVZFFV-MOPGFXCFSA-N 374.510 1.598 0 40 FDAB COCCN1C[C@H]2CCN(C(=O)Nc3ccccc3)CC[C@H]2S1(=O)=O 96145637 SVOZFYCOEPSDIP-GDBMZVCRSA-N 367.471 1.591 0 40 FDAB Cc1cccc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)n1 247850641 ALAUPWBSMROCII-MRXNPFEDSA-N 362.455 1.480 0 40 FDAB O=C(c1cccc2c1OCCO2)N1Cc2cncn2[C@H](CN2CCCC2)C1 247872978 MNXYUPDLHZGGAT-MRXNPFEDSA-N 368.437 1.947 0 40 FDAB COc1cncc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 585094282 APBSWFLKEKLGDP-AWEZNQCLSA-N 369.487 1.354 0 40 FDAB COc1ccc(-c2cccc(CN3CCN(C(C)=O)[C@H](C(N)=O)C3)c2)cc1 257271586 MYYFVFOSKPRAFZ-FQEVSTJZSA-N 367.449 1.880 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccn(C)n3)C2)nc2c1CC(=O)N2C 257297117 RFXLLIFVUSOTFY-LJQANCHMSA-N 368.441 1.231 0 40 FDAB CO[C@@H](C)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 268958296 XBJFEHCEGQOUBG-CABCVRRESA-N 355.504 1.136 0 40 FDAB CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)CN1CCCC[C@H](O)C1=O 644399476 XAKYWBDOHIBLDO-INIZCTEOSA-N 356.426 1.409 0 40 FDAB COc1c(C)cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1C 647930055 NAOHNWSBUCFWHR-HNNXBMFYSA-N 364.423 1.681 0 40 FDAB C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 681314122 OGWNDHZVYMJXPI-DONFBDJXSA-N 370.371 1.983 0 40 FDAB Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)cc1F 1775961534 HHCAOCVLNDHLFL-SKDRFNHKSA-N 358.370 1.590 0 40 FDAB Cn1[nH]c(C2CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)nc1=N 614294845 ZIAIOQDDNVUGPJ-UHFFFAOYSA-N 365.441 1.492 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@@H](C)O2)o1 619281920 DHESRYXTRABMNS-BDJLRTHQSA-N 355.398 1.796 0 40 FDAB Cn1c(=O)n(CC(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c2ccccc21 653333076 KUMAZPVQHRXQHO-HUUCEWRRSA-N 365.389 1.769 0 40 FDAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]23)n1 575404343 AZIMQHBTRRSZEC-ZVZYQTTQSA-N 356.426 1.807 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3C)C2)OC1 585103828 DCUMXSWERJWSMS-INIZCTEOSA-N 352.500 1.915 0 40 FDAB COc1cc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)ccn1 585278449 STXIBBBBIXWBHQ-IBGZPJMESA-N 358.394 1.373 0 40 FDAB Cc1noc([C@]23CCC[C@H]2CN(S(=O)(=O)c2cnc(C)n2C)C3)n1 685940248 ALVPKINNVJAVJV-WFASDCNBSA-N 351.432 1.162 0 40 FDAB O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)OCC(=O)N3)CCN1 84525336 CFYFLKCEOIAINA-MRXNPFEDSA-N 365.389 1.721 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cncc(N3CCOCC3)c2)C1 644119817 GWZPOYLLIQHOOK-CVEARBPZSA-N 357.414 1.244 0 40 FDAB O=C(NCc1cc(O)nc(O)n1)c1ccc(C(=O)c2cccc(O)c2)cc1 1163288851 QTOFPUGOCDWOMM-UHFFFAOYSA-N 365.345 1.754 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157560 LCUCMHLGDNOVCZ-IBGZPJMESA-N 370.384 1.654 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NCc2ccco2)n1 12735173 RHFJUVYUYPUOGB-ZDUSSCGKSA-N 355.398 1.731 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C)c2ccco2)c(N2CCN(CCO)CC2)n1 19134556 LUJMGBVZIKODFG-HNNXBMFYSA-N 358.442 1.588 0 40 FDAB CC(=O)N[C@H]1CN(C(=O)c2cccc3cccnc23)C2(CCNCC2)C1 19704035 CQNISMQFOXQALQ-MRXNPFEDSA-N 352.438 1.708 0 40 FDAB COc1ccc(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)cn1 19748544 BBJOBYOHELXEGC-UHFFFAOYSA-N 357.385 1.660 0 40 FDAB Cc1csc([C@@H]2COCCN2Cc2ccccc2S(N)(=O)=O)n1 606443002 JKAIMPXVPLVYDT-ZDUSSCGKSA-N 353.469 1.672 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnn2cccc(Cl)c12 616433107 DALNRRUQQNQMQA-INIZCTEOSA-N 350.806 1.355 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCCC[C@@H]1CO 5659372 XQEVMBABMQZHAU-CYBMUJFWSA-N 371.528 1.789 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(N)=O)cc1 6099101 MBWOOCNOKBXZOJ-OCCSQVGLSA-N 356.444 1.105 0 40 FDAB O=C([C@@H]1CCc2ccccc2O1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888856829 KHYUUKAMKOHESR-BQFCYCMXSA-N 350.422 1.765 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cn1 1888869882 ULLABXKCQFQSOC-GJZGRUSLSA-N 364.453 1.581 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(CC2CCS(=O)(=O)CC2)CC1 1889070765 OJWFURVUQWHHOV-UHFFFAOYSA-N 372.922 1.855 0 40 FDAB Cc1ccc(C)c2sc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc12 1889139141 HSKFEJRGTVWKEL-CQSZACIVSA-N 361.467 1.977 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)on1 1565547677 LXJWOXVEXCRPGK-UHFFFAOYSA-N 372.425 1.585 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)c1C 1565555672 NARBEQSMWMTJDH-CVEARBPZSA-N 364.453 1.896 0 40 FDAB COC1(CC(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)CCC1 1565549220 RVWCSJCIXMSAOA-LPHOPBHVSA-N 363.458 1.476 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)CCc4ccc[nH]4)C[C@@H]3C2=O)cs1 1565554121 REJSBHRYIMSANT-BBRMVZONSA-N 358.467 1.829 0 40 FDAB CCOc1ccc(N(C(=O)[C@@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1 4165336 GACVRGNHIABWDD-ZBFHGGJFSA-N 351.424 1.908 0 40 FDAB O=C([C@@H]1CN(c2ncnc3[nH]ccc23)CCO1)N1CCC(F)(F)CC1 2086860228 DVNXXBYTZWYNFE-LBPRGKRZSA-N 351.357 1.421 0 40 FDAB NC(=O)CN1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2C1 11990241 KSOQUXYDKMZCBJ-UHFFFAOYSA-N 357.385 1.687 0 40 FDAB CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3)cn2)CC1 20375346 BOAGYHSRAYTVMB-UHFFFAOYSA-N 353.426 1.202 0 40 FDAB CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2nnc(C)c(=O)n12 1016920 LOVOZBQASDQHHG-UHFFFAOYSA-N 367.287 1.779 0 40 FDAB O=C(NCc1cccnc1)c1nc(COc2ccc3c(c2)OCO3)no1 20722732 RSIWXNBNZQGSOX-UHFFFAOYSA-N 354.322 1.702 0 40 FDAB Cn1c(N)c(C(=O)COc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 3531964 FBQRPYAJCPNOBC-UHFFFAOYSA-N 358.181 1.235 0 40 FDAB Cc1ccc(CNC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1 4569841 MUCZNECVACINTG-UHFFFAOYSA-N 361.452 1.571 0 40 FDAB COc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(OC)c1 8395103 CRYOXDOMSLDKII-UHFFFAOYSA-N 363.395 1.140 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccccc32)n(C)c1 8982390 MFSXHEBKTOKZIC-ZDUSSCGKSA-N 365.480 1.900 0 40 FDAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)N[C@]2(CCOC2)C1=O 89984794 XORBCYNSAFMTIH-SFHVURJKSA-N 358.350 1.820 0 40 FDAB COc1ccccc1C(=O)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1 22470405 LGQWMCCHXKCAEW-UHFFFAOYSA-N 366.377 1.092 0 40 FDAB O=C(NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1cnccn1 12374747 UHTDTLIELCEQKH-UHFFFAOYSA-N 372.772 1.340 0 40 FDAB O=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899788 BLWJANNPJXWILQ-UHFFFAOYSA-N 374.462 1.740 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c1 22931322 HSEFLSCUUGIUHJ-SFHVURJKSA-N 372.513 1.870 0 40 FDAB CCCNC(=O)CN1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 23249035 JIHTYRKVCUDWNF-UHFFFAOYSA-N 374.514 1.709 0 40 FDAB COC(=O)c1ccoc1COC(=O)c1cccc(NS(C)(=O)=O)c1 24103075 HNSUTHRQBNLEMV-UHFFFAOYSA-N 353.352 1.795 0 40 FDAB CCc1nnc2sc(SCC(=O)NC3CCCCC3)nn2c1=O 28561873 VFPTZBYCPKTRTO-UHFFFAOYSA-N 353.473 1.649 0 40 FDAB CN(c1cccnn1)C1CCN(Cc2noc(C3CCOCC3)n2)CC1 106083248 BYNYZAXJIUHFAH-UHFFFAOYSA-N 358.446 1.854 0 40 FDAB CCS(=O)(=O)Nc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1 55179829 KCHQVHNALYCLPT-GFCCVEGCSA-N 373.525 1.791 0 40 FDAB CC(=O)NCCNC(=O)CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 76652053 KAEYCYIKDPOART-MRXNPFEDSA-N 363.433 1.249 0 40 FDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(F)cc1 24929745 UEXNAESLOFSZSK-UMVBOHGHSA-N 369.418 1.172 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCc3cc(F)c(F)cc32)C1 76912493 PERDDLJWGKTRJR-CQSZACIVSA-N 351.397 1.845 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)c1cccc(OCC(N)=O)c1 28428359 BZGZKRTYNISUFY-UHFFFAOYSA-N 355.394 1.482 0 40 FDAB CNC(=O)NC(=O)CCN1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 58209284 DDNOGOOYBPZXFN-HNNXBMFYSA-N 360.458 1.170 0 40 FDAB CCCNC(=O)CN1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 29221596 BDTHMLWLWJQXDY-SNAWJCMRSA-N 350.488 1.572 0 40 FDAB CCOC(=O)NCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 58227094 NZMASNUDRWENAN-HNNXBMFYSA-N 363.414 1.761 0 40 FDAB Cc1noc([C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)n1 58343374 IKUJITPSDHCFIU-INIZCTEOSA-N 361.365 1.873 0 40 FDAB Cc1c(C(=O)OCC(=O)N(C)C)sc2nc3n(c(=O)c12)CCCCC3 11061477 ULPMSKCXHDAUOA-UHFFFAOYSA-N 363.439 1.738 0 40 FDAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(F)cc1 11091584 DWWFIGZDXBDWOT-VIFPVBQESA-N 350.423 1.919 0 40 FDAB COC(=O)c1ccn(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)n1 36615217 MBSRVGGMKDARIW-UHFFFAOYSA-N 368.328 1.210 0 40 FDAB COCCN1C(=O)C(NC(=O)c2ccccc2)=CC[C@]1(O)C(F)(F)F 3324612 ATEYFMUHWYAADM-HNNXBMFYSA-N 358.316 1.430 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc3ccccn23)C1 48231697 OTZXFKBMZFOXDU-LBPRGKRZSA-N 351.432 1.120 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O 12944620 WFKDOTJKHHFSET-RDTXWAMCSA-N 358.446 1.057 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 17204945 QGVYDDRZCSTQCW-UHFFFAOYSA-N 353.400 1.686 0 40 FDAB C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1)c1ccccc1 409003778 UUJABGWGSGIRSJ-CZUORRHYSA-N 355.394 1.896 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)on2)CC1=O 5188552 MQOZYHOXICGUKF-GFCCVEGCSA-N 373.365 1.526 0 40 FDAB CSCC[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240311 RBUIRQRLLHQRDV-LBPRGKRZSA-N 371.436 1.747 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccccc1F 6560771 TXLODQVAXUMKPB-UHFFFAOYSA-N 357.385 1.927 0 40 FDAB Cn1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cn1 18348374 URQGYNVPCNBZPB-UHFFFAOYSA-N 363.171 1.548 0 40 FDAB CN(C)CC(C)(C)CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5659484 UPYFWAUZGYOEFL-UHFFFAOYSA-N 372.560 1.811 0 40 FDAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 5833708 VOTXOPLAFRAPDL-ZDUSSCGKSA-N 374.846 1.478 0 40 FDAB CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 68345616 RYQUWZGMUJFICG-ZDUSSCGKSA-N 361.485 1.588 0 40 FDAB CCn1cc(-c2ccccc2Br)nc2c(=O)n(C)c(=O)nc1-2 7720136 KCNBCIXFPUDZQF-UHFFFAOYSA-N 361.199 1.891 0 40 FDAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ncccn1 8069682 TZEXZISJFJESMT-UHFFFAOYSA-N 350.469 1.795 0 40 FDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1 9743807 HWBWSGQSFGUWTA-NSHDSACASA-N 355.329 1.985 0 40 FDAB COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5O)c(=O)[nH]c2c1 79193564 WZSBXQCUIGCIOE-UHFFFAOYSA-N 355.438 1.554 0 40 FDAB biogenic Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 97013512 YYLYZBBDSWEYRD-STQMWFEESA-N 350.415 1.585 0 40 FDAB COC[C@H](O)CN1CCC(NC(=O)CSCc2cccs2)CC1 95444995 UDUJUZFPVZAFLK-CQSZACIVSA-N 358.529 1.569 0 40 FDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc[nH]c1=O 95474988 VYVLGDBBWCGFBA-CQSZACIVSA-N 362.411 1.867 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(F)c1 89775178 MGTZQCZTWGDRCQ-OKILXGFUSA-N 362.357 1.483 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CC(=O)N3CC(F)(F)C3)C2)no1 306139908 UDQWHZOYUXDCER-CQSZACIVSA-N 351.357 1.604 0 40 FDAB CCOC(=O)CN(C(C)=O)c1ccc(N(CC(=O)OCC)C(C)=O)cc1 65740098 XCQLTLHHIANKDB-UHFFFAOYSA-N 364.398 1.519 0 40 FDAB in-vitro Cn1[nH]nnc1=NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 532392011 ZJSNGTNYYMHZSP-UHFFFAOYSA-N 362.390 1.184 0 40 FDAB CCN(CC)[C@@H](CN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl 39982541 CPLAMSYXXHLRLI-JYJNAYRXSA-N 360.907 1.470 0 40 FDAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72382535 YXYQQXOXYYZHEF-CYBMUJFWSA-N 362.459 1.519 0 40 FDAB CCCCN1CCOC[C@H]1C(=O)NCC(=O)N1CCCc2ccccc21 184317934 VPLKQVLNRMAFNO-SFHVURJKSA-N 359.470 1.583 0 40 FDAB O=C(O)[C@@]1(C(F)(F)F)CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 567984761 AMQZLWQLIUENKK-IAQYHMDHSA-N 374.363 1.671 0 40 FDAB COCCNC(=O)[C@@H](C)Oc1nn(C)c2ccc(Br)cc12 226754695 LBTQIOQRDUVQDL-SECBINFHSA-N 356.220 1.866 0 40 FDAB COc1ccc([C@@H](CC(=O)NCc2ccccc2)NS(C)(=O)=O)cc1 225954823 RYGRVTQBTKLJOD-QGZVFWFLSA-N 362.451 1.992 0 40 FDAB CCSc1nnc(NC(=O)c2ccc(N3CCOCC3)nn2)s1 75172716 PTOXAXNHNCQCKO-UHFFFAOYSA-N 352.445 1.529 0 40 FDAB COc1cc(S(=O)(=O)NC[C@H]2CCCOC2)cc(C(=O)O)c1OC 324479968 MAXGQHLDMKKNHM-SNVBAGLBSA-N 359.400 1.107 0 40 FDAB Cc1ccc(C)c(Nc2nnc(N3CCOCC3)c(N3CCOCC3)n2)c1 226823115 RELIGGJRNLCJPD-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@](O)(c1ccco1)C1CC1 77099482 ZTZSGYKACRVFHT-IBGZPJMESA-N 372.377 1.039 0 40 FDAB CCS(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 97953878 LMMIQLUVEPPHSF-AWEZNQCLSA-N 357.476 1.112 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC(Cn3cncn3)CC2)c1 577617458 YZZYOBJZWMHHJB-UHFFFAOYSA-N 351.414 1.720 0 40 FDAB COCCC(=O)N1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244548 LDAZFUXDGGEENU-LJQANCHMSA-N 360.458 1.644 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3cc(C)on3)CC2)CN1S(C)(=O)=O 96220782 YKCCVFZYJDHRKL-HNNXBMFYSA-N 357.476 1.246 0 40 FDAB Cc1noc(C)c1CC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377564 QWSQXLWSAUQRGY-UHFFFAOYSA-N 352.387 1.658 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)N2CCCCC2)C1 248037081 NEEKGVCTLUJHBD-MRXNPFEDSA-N 369.469 1.936 0 40 FDAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc34)C[C@@H]21 247513542 JEGFAYBHSQXHBJ-BHIYHBOVSA-N 360.479 1.836 0 40 FDAB O=C(c1cccnc1)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 247865778 OLYFISIZWBMHDD-HNNXBMFYSA-N 350.440 1.138 0 40 FDAB O=C1NCCCN(C(=O)Cc2csc3nccn23)[C@@H]1Cc1ccccc1 584429247 DDSAAYHFYHQWMB-MRXNPFEDSA-N 368.462 1.898 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c(O)c1 257314094 UVGWCYXOBGNFFP-JFIYKMOQSA-N 364.442 1.135 0 40 FDAB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](n2nccn2)C1 253471376 BXYUGTSBAGUAFL-MRVPVSSYSA-N 363.262 1.738 0 40 FDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]2C[C@@]1(C)O 257207173 BGQUVDKJOSNFSH-KNIMUDFMSA-N 350.434 1.345 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257270992 MWKRSZGOFWTDDB-GFCCVEGCSA-N 356.382 1.274 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2c(C)noc2C)CC1 257309775 UCIBBZNIFHSTEN-UHFFFAOYSA-N 357.414 1.737 0 40 FDAB CC(=O)NCC(=O)N1[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257287707 PRESFLUGCYODKW-QCUYGVNKSA-N 365.474 1.902 0 40 FDAB COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)CN2CCOCC2)c1 257253315 JYKQXUUQSKXHLA-KRWDZBQOSA-N 356.426 1.307 0 40 FDAB Cn1cnnc1N1CCN(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 653930566 MBPJOVSEHSVQCQ-UHFFFAOYSA-N 369.429 1.061 0 40 FDAB O=C(c1n[nH]c2c1COCC2)N1CCN(CCOc2ccccc2)CC1 1152003319 XMSQKYXDUHBLCG-UHFFFAOYSA-N 356.426 1.319 0 40 FDAB NC1(CNC(=O)c2nc[nH]c3nccc2-3)CCN(Cc2ccccc2)CC1 662816278 OHWIDQXECINMOL-UHFFFAOYSA-N 364.453 1.633 0 40 FDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CC[C@@H](n2cccn2)C1 291184761 KWSUMOWNRSVNSL-QZTJIDSGSA-N 352.438 1.890 0 40 FDAB COCc1nc([C@H]2CN(c3nnc(C)n3CC3CC3)C[C@@H]2C2CC2)n[nH]1 1775957974 VWNDJSWZCNXOER-CABCVRRESA-N 357.462 1.891 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 585112631 UOKMVHUFPWZHCQ-MRXNPFEDSA-N 373.482 1.861 0 40 FDAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2cc(C)nn2C)C3)C1 585113065 YIARVRYMOIRAIL-CQSZACIVSA-N 359.430 1.136 0 40 FDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 58202883 WAPUCNYEMMVGMQ-LBPRGKRZSA-N 366.361 1.527 0 40 FDAB COC[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 83897911 JYYATRNIPVWYDP-LSDHHAIUSA-N 362.451 1.213 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)ncnc21 13534672 BBPUZCHBZLRUBT-UHFFFAOYSA-N 356.365 1.252 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19014977 ADUMSSBCCMKUKI-INIZCTEOSA-N 370.453 1.941 0 40 FDAB O=C(COc1ccccn1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19402206 AEPDTPGRKVDMJA-HNNXBMFYSA-N 369.425 1.108 0 40 FDAB O=C(CCC1CCCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404478 LMUMMHPEFMENPU-OAHLLOKOSA-N 356.474 1.990 0 40 FDAB CCn1ccnc1N1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 12444603 DGKSDTPLQNMGLP-UHFFFAOYSA-N 358.442 1.812 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(c4ncc(F)cn4)CC3)ncn2)n1 1888869439 OOZPGWCRIFWPEC-UHFFFAOYSA-N 354.393 1.535 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2ccc(=O)n(C)n2)C3)nc1 1888869867 QRPQPMORYKARHZ-AUUYWEPGSA-N 369.425 1.200 0 40 FDAB c1cc(N2CCOCC2)nc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888920799 CGHASXDWKBRWSF-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB CC(C)Cn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O 36389612 CBZUTVYOYHFHQE-UHFFFAOYSA-N 370.453 1.026 0 40 FDAB COc1cnc(O[C@@H]2CCN(Cc3noc(C4CCOCC4)n3)C2)nc1 2086978718 VCJPMXTXADZKMG-CYBMUJFWSA-N 361.402 1.416 0 40 FDAB COc1cccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)c1 4139909 ZUUSJIVWKBSJEH-UHFFFAOYSA-N 361.361 1.869 0 40 FDAB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152795 CJOFTBICKSLWGR-INIZCTEOSA-N 357.410 1.262 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746233 DGZVYZPBJAXUEX-UHFFFAOYSA-N 372.516 1.408 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@H](OCCO)c1ccsc1 575620085 IOXYAZSXGWDLOH-CYBMUJFWSA-N 354.453 1.292 0 40 FDAB CCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@@](O)(C[C@H]2N(C)C1)C(=O)N4 65748323 PSQLKUJBRLOLIQ-RRBXVBTKSA-N 355.438 1.412 0 40 FDAB in-vitro CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(F)cc2)C1 40092625 BCNHSCUDZXMGLR-CQSZACIVSA-N 372.462 1.773 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 40009917 AOKYIVGIKDSHMO-IAGOWNOFSA-N 373.497 1.958 0 40 FDAB COc1ccccc1CN1C[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 32071575 HJKKXLMHJUTVIX-AWEZNQCLSA-N 364.405 1.981 0 40 FDAB O=C1CCc2ccc(OCc3noc(C(=O)N4CCC(O)CC4)n3)cc2N1 32093116 ALKRFWJAGJGOSH-UHFFFAOYSA-N 372.381 1.130 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 60292874 CHRNNVHPCSIJIG-MRXNPFEDSA-N 357.410 1.731 0 40 FDAB O=C(CCn1nc(O)c2ccccc2c1=O)NCCOc1ccccc1F 32736269 XTIUTTLISOPQQU-UHFFFAOYSA-N 371.368 1.827 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)c(F)c1 60496340 KDULOSAHNZDSOS-UHFFFAOYSA-N 364.464 1.864 0 40 FDAB CCCn1c(=O)n(CC(=O)N2CCC(C(=O)OC)CC2)c2ccccc21 52796217 TYIYOUFOGMDRNF-UHFFFAOYSA-N 359.426 1.625 0 40 FDAB CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298899 RUKMVQNATOOHLD-OLMNPRSZSA-N 360.506 1.157 0 40 FDAB biogenic,in-vitro CCCNC(=O)CCc1nnc2c(=O)n(-c3ccc(OC)cc3)ccn12 33043114 HITZFUDDCICYDP-UHFFFAOYSA-N 355.398 1.348 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc2c(c1)OCO2 102850812 JAKQNMZJQIUWTK-KBPBESRZSA-N 358.394 1.597 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)cc2[nH]c1=O 23400657 NKFPLPXQVNFIHE-GFCCVEGCSA-N 373.390 1.019 0 40 FDAB Cc1c(NS(=O)(=O)c2cccc(C(=O)O)c2)cccc1-n1cnnn1 12557052 DMVFQWJDTLEWJP-UHFFFAOYSA-N 359.367 1.470 0 40 FDAB CC(C)(C)c1ccc(CS(=O)(=O)C[C@@H](O)CN2CCCC2=O)cc1 1391328 GCVNOKCUAJGEQR-INIZCTEOSA-N 353.484 1.882 0 40 FDAB Cn1ncc2c1CCC[C@H]2NC(=O)CCn1nnc2ccccc2c1=O 24991396 IPZZZFLGVHYXKD-CQSZACIVSA-N 352.398 1.109 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 25581628 VWDHNWWZNHKYSU-OAHLLOKOSA-N 365.455 1.788 0 40 FDAB COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)c(OC)c1OC 3256660 GTNYQZVJVZOJHX-UHFFFAOYSA-N 371.349 1.632 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)C(=O)NCc3ccco3)cnc12 58052078 VHBKOTUNEQMJAX-ZDUSSCGKSA-N 368.393 1.119 0 40 FDAB CCN1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 58159832 HAKQPXKZCGBVSX-AWEZNQCLSA-N 365.499 1.972 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1CCN(c2nccs2)CC1 36491425 NVEPJKBQJUAEIS-UHFFFAOYSA-N 360.483 1.932 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)NCCN3CCOCC3)cc2oc1=O 20546400 NDHFCTQNMRBXJI-UHFFFAOYSA-N 360.410 1.237 0 40 FDAB CC(C)c1ccc(C(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1 12943869 FHBXUWNUGMFKFM-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB CC(C)CCn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 6166487 RDVAOCACCGVCAO-CQSZACIVSA-N 361.490 1.854 0 40 FDAB COCCn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C 5252222 PNYDXROUJLXPFD-UHFFFAOYSA-N 372.410 1.097 0 40 FDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 65591477 GTNKMFZORTYOHO-DZGCQCFKSA-N 367.515 1.451 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(CN2CCOCC2)cc1 14122486 WOVFTIOTLGADAE-UHFFFAOYSA-N 365.455 1.602 0 40 FDAB COc1cccc(/C=C(\C(=O)N2CCOCC2)n2ccccc2=O)c1OC 4616389 VGMAYHJDQHWMCT-JQIJEIRASA-N 370.405 1.722 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 16224354 MZIPEFRPGHPWEU-UHFFFAOYSA-N 350.444 1.825 0 40 FDAB C[C@@H]1C(=O)N(CC(=O)N2CCNC2=O)C(=O)N1c1ccc(Cl)cc1 9535925 KHPLMVQCJVZHLQ-SECBINFHSA-N 350.762 1.049 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c1 23493255 YKVOJIDXKQZBFH-UHFFFAOYSA-N 369.421 1.797 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 9586684 XGZLNVYNHZWHQO-GFCCVEGCSA-N 367.471 1.043 0 40 FDAB COCCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943349 IWRJFMQSZYXADT-UHFFFAOYSA-N 372.443 1.114 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)O)c1 9646856 OSIXJWWBLJKRDS-ZDUSSCGKSA-N 374.846 1.670 0 40 FDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)c1ccc[nH]1 9672549 CAXXHWURVLALQR-GOSISDBHSA-N 355.394 1.324 0 40 FDAB O=C(CN1CCN(Cc2nc(-c3ccccn3)no2)CC1)N1CCCCC1 78291151 HWKYWKVCNYEWQN-UHFFFAOYSA-N 370.457 1.262 0 40 FDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 79092625 IKLDFEZJQGXDNC-CQSZACIVSA-N 366.439 1.633 0 40 FDAB Cc1nn(Cc2noc(C(=O)NCCCn3ccnc3)n2)c(C)c1Cl 21451337 KXAOAFOEYPFRSE-UHFFFAOYSA-N 363.809 1.601 0 40 FDAB O=C(NCC1CC1)[C@@]12CCCN(CC3CC3)C[C@H]1CN(c1ncccn1)C2 306136474 PUMBXYNSAFQVFX-GHTZIAJQSA-N 369.513 1.931 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1 306136538 PWFDXWGXGBUSOU-HNNXBMFYSA-N 363.425 1.761 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1=O 520626983 CBAGIAINDVUHJA-SFHVURJKSA-N 358.398 1.255 0 40 FDAB CC(C)N(C(=O)Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)C(C)C 72348084 NEOFTDORYVKDSO-UHFFFAOYSA-N 368.441 1.260 0 40 FDAB CN(C)C(=O)[C@@H]1CN(Cc2ccncc2)C[C@]12Cc1ccccc1C(=O)N2 72334445 DTQNKMUGTUYFHT-GHTZIAJQSA-N 364.449 1.327 0 40 FDAB O=C1N[C@@]2(CCCN(C(=O)c3cnn4cccnc34)C2)Nc2ccccc21 72347517 AMOVGJFKJLUVDA-LJQANCHMSA-N 362.393 1.517 0 40 FDAB Cn1cc(-c2nnc3sc(-c4c(Br)cnn4C)nn23)cn1 79479607 SPHDZSIDPDXBRO-UHFFFAOYSA-N 365.220 1.749 0 40 FDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccncc1 79501661 HTUICLSSYIEBGY-INIZCTEOSA-N 367.453 1.936 0 40 FDAB CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)O 72328114 WGPPAMFTRIETLZ-UHFFFAOYSA-N 350.400 1.665 0 40 FDAB NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43726976 PVFANNGMTOWGTE-MHORFTMASA-N 365.433 1.815 0 40 FDAB COc1ccn2c(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3)cnc2c1 573914770 VMOGONXHDFJUMD-AWEZNQCLSA-N 368.441 1.784 0 40 FDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)Cc1ccccc1)C2 514290221 VHBWRHBYQXBQFR-RBUKOAKNSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro CCCSc1nnc(NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 225409910 NNEDRZVNENMQNL-UHFFFAOYSA-N 364.518 1.650 0 40 FDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1 96069108 TYAVNVRCUBDYJD-HZPDHXFCSA-N 350.390 1.145 0 40 FDAB O=S(=O)(N[C@@H]1CCO[C@]2(CCN(Cc3cccnc3)C2)C1)C1CC1 96107919 ACJQUTFNOKTHIH-NVXWUHKLSA-N 351.472 1.287 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 96107343 NOAMXWGBWAYXGS-APWZRJJASA-N 356.426 1.796 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccco1 95476182 WONYSFARZVVJMS-MRXNPFEDSA-N 355.394 1.696 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3ccccn3)C2)OC1 248084355 BAVNRQLEWYHLMT-INIZCTEOSA-N 354.454 1.831 0 40 FDAB O=C(COc1ccccc1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247739288 MVWCBZVZJFXPLR-INIZCTEOSA-N 355.394 1.694 0 40 FDAB CC(C)NC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 248076046 ZDXSZWLGRYUQOI-AWEZNQCLSA-N 356.426 1.773 0 40 FDAB O=C(O)CCCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 257283158 OWXUWFMEGQKGJP-UHFFFAOYSA-N 372.425 1.332 0 40 FDAB c1cc(CC[C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 257258331 KTJIBRDRXPWHHW-SFHVURJKSA-N 354.458 1.700 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@H](O)[C@@H](n2ccc3ccncc32)CC1 257339452 ZBUPMSDPGZHEBZ-WMZOPIPTSA-N 353.426 1.916 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)CCn1ccnc1 257323094 WISUJLOKULBDFF-LBPRGKRZSA-N 351.432 1.154 0 40 FDAB O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)N1C[C@H](O)C[C@H]1CO 637612103 JTNRZWRBWFLQGF-CEXWTWQISA-N 361.486 1.568 0 40 FDAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)Cc1cccc(OC(F)(F)F)c1 643859199 ZCNBZZVXHDVIIM-LLVKDONJSA-N 370.287 1.215 0 40 FDAB O=C(Nc1ccc2c(c1)COB2O)c1ccc2c(c1)nc(O)n2CC1CC1 1776003113 VMLKZJAUXCEREY-UHFFFAOYSA-N 363.182 1.622 0 40 FDAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1)C(C)C 36575324 FROVKFMRLBSWEF-ZBFHGGJFSA-N 357.414 1.659 0 40 FDAB biogenic CC(C)CN1CCO[C@H](CNS(=O)(=O)c2ccc(C(=O)O)cc2F)C1 578328714 GIPCQVXKTARIOJ-CYBMUJFWSA-N 374.434 1.159 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCC1)CO2 575403573 HFLBKEDDETVLCH-QGZVFWFLSA-N 363.502 1.347 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1c(C)oc2ccccc12 661032630 XKQXZTDTBJFGEV-ZBFHGGJFSA-N 366.439 1.395 0 40 FDAB O=C(N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21)C1(F)CCC1 585108462 PCHJORIMMJRMMS-BRWVUGGUSA-N 370.465 1.376 0 40 FDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)Cc3ccccn3)C2)cc1 585276718 HQUFRAIDFZRWHJ-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB O=C(NC1(CN2CCN(c3ccc(F)cc3)CC2)CC1)c1cc(O)ncn1 585123978 WIWSVCVZPAKJOC-UHFFFAOYSA-N 371.416 1.406 0 40 FDAB COCC[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cccn2C1 585095083 DESQGFXQRASBHF-HNNXBMFYSA-N 366.487 1.696 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cn1C 56056560 MKBYGYAYFXDHKP-UHFFFAOYSA-N 373.438 1.049 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC1(c2ccc(F)cc2)CCC1 58202953 IMSHOQFOJNQCGG-UHFFFAOYSA-N 359.401 1.681 0 40 FDAB O=C(Nc1ccccc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549163157 ZPMWWHYMPWRJTH-HNNXBMFYSA-N 370.409 1.346 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691753 GDGFRDSVSUXHNL-GYSYKLTISA-N 362.373 1.944 0 40 FDAB CCn1cc(C(=O)N2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cn1 12181424 JHQJCYPXYMVMMQ-UHFFFAOYSA-N 356.430 1.175 0 40 FDAB O=C(CN1CCSC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12261509 QTCNWQKLNQGXBA-UHFFFAOYSA-N 355.441 1.334 0 40 FDAB CN(C)CCN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 12325567 DAJHPMVNDWGOFE-GOSISDBHSA-N 364.511 1.295 0 40 FDAB Cc1ccc(C(=O)Nc2ccncc2)cc1S(=O)(=O)N1CCOCC1 12552552 XQWDLSHQWZIGRH-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1Cl 12886052 ZLMWYSRRTJGXBL-NSHDSACASA-N 365.282 1.729 0 40 FDAB O=C(CSc1nnnn1-c1cccc(F)c1)NC(=O)NC1CCCC1 14084871 BRZYLLOTCXPJFT-UHFFFAOYSA-N 364.406 1.662 0 40 FDAB CCc1cc(N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)ncn1 1888859998 KVTYBLAEOSHNAS-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(COc3ncc(F)cn3)C2)nn1C 1888869861 OMTKSMHGLOGGOJ-SCLBCKFNSA-N 359.405 1.979 0 40 FDAB COc1ccc(F)cc1CN1[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1CO 2037971241 HJTGAAPZLCDIPO-KVPLUYHFSA-N 361.413 1.344 0 40 FDAB CCNC(=O)c1cc2c(CNC(=O)CC3(OC)CCC3)nn(C)c2s1 1565553677 HQQOJBDRAPIVFF-UHFFFAOYSA-N 364.471 1.960 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)[C@@]1(C)CC=CCC1)OC2 1565548224 VIESUZOYKLZAFO-DJJJIMSYSA-N 360.458 1.853 0 40 FDAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC(C)C)ccc3c2=O)cc1 3906611 YOEDIULWXZMZBC-UHFFFAOYSA-N 367.405 1.885 0 40 FDAB CN(C)c1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 11693720 BCYDCNCCKPNOLH-UHFFFAOYSA-N 369.421 1.821 0 40 FDAB COc1ccccc1CCNC(=O)CSc1ccc(NC(C)=O)nn1 11738751 LNWAAVNPSDHWQJ-UHFFFAOYSA-N 360.439 1.895 0 40 FDAB O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 12069413 NSKVZRNEWPVANQ-UHFFFAOYSA-N 372.513 1.764 0 40 FDAB COc1ccccc1NC(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13534678 HJQCSLQVXDKAHR-UHFFFAOYSA-N 368.401 1.121 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cc(C)cc(C)c2)CC1 2055745449 ACQNHSCUOWLBBD-UHFFFAOYSA-N 369.469 1.292 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(C)s2)CC1 2055745510 FQPFMNNARLWVST-UHFFFAOYSA-N 361.471 1.045 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O 240122331 VVSILPIHCMHNLR-DRRXZNNHSA-N 351.399 1.116 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 40087866 ZWIXCSBVEUVSMC-UHFFFAOYSA-N 353.850 1.585 0 40 FDAB CCOC(=O)c1cc2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc2s1 40082894 OKLUMOFHQFRBKI-UHFFFAOYSA-N 373.390 1.567 0 40 FDAB O=C(O)[C@@H](Cc1ccc(O)cc1)N[C@H](c1ccccc1)P(=O)(O)O 1590382 JEUSOUAJTPGJSH-CABCVRRESA-N 351.295 1.854 0 40 FDAB CCOc1cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)ccc1O 6960039 AFWKOCHBVKIUNP-XFFZJAGNSA-N 350.396 1.364 0 40 FDAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)n1 6968595 LGLHBJNBRFAPAX-UHFFFAOYSA-N 365.345 1.615 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O 21892775 GQQNTUMSOPXBHN-UHFFFAOYSA-N 368.397 1.139 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 41396527 NLOXIWSPNKNWLP-UHFFFAOYSA-N 350.362 1.813 0 40 FDAB Cc1cccc(CN2CC3(CCC2=O)CCN(S(C)(=O)=O)CC3)n1 108535517 RPDMLFFLVFQUTJ-UHFFFAOYSA-N 351.472 1.554 0 40 FDAB NC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 22228992 DFZGRZGFOJFDRL-UHFFFAOYSA-N 352.394 1.999 0 40 FDAB COC(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(CC(F)F)c21 12396395 KMCGNBCBADGYCA-UHFFFAOYSA-N 353.247 1.963 0 40 FDAB COc1ccccc1[C@@H]1N=C(NC[C@H]2CCCO2)Nc2nc(C)cc(=O)n21 101983203 WXLNGXIOSRQQMU-CXAGYDPISA-N 369.425 1.657 0 40 FDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(-n2cnnn2)cc1 22901395 YJPLASGFVXQWDB-UHFFFAOYSA-N 366.381 1.290 0 40 FDAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](C)C3)C2=O)cc1 24834090 CCEVDLIRKGQVTA-VLIAUNLRSA-N 373.453 1.824 0 40 FDAB COc1cc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 900254 ZITBJWXLODLDRH-JLTOFOAXSA-N 374.389 1.804 0 40 FDAB endogenous,in-man COC(=O)c1cccc(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)c1 24650048 ZYOWTZPTUUZRPM-UHFFFAOYSA-N 366.377 1.670 0 40 FDAB C/C(NCCc1c[nH]cn1)=C1/C(=O)NC(=O)N(c2cccc(F)c2)C1=O 25183211 QYSMEBWJQSAMFF-GXDHUFHOSA-N 357.345 1.238 0 40 FDAB CCSc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 12532279 KKNJSJLWHMQDPE-RKDXNWHRSA-N 352.441 1.540 0 40 FDAB O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(Cl)cc1Cl 101274583 CTIPQNRDXBNKND-CQSZACIVSA-N 372.252 1.235 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 34857684 KKKIXOAAKNSIRJ-HNNXBMFYSA-N 353.488 1.049 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2ccccc2OC[C@@H]2CCCO2)n1 26239829 HAUCHRLCBXYPCB-LBPRGKRZSA-N 373.413 1.435 0 40 FDAB O=S(=O)(c1ccccc1)N1CCCN(c2ncnc3[nH]cnc23)CC1 57141472 XKMJXRZSHSEJGD-UHFFFAOYSA-N 358.427 1.254 0 40 FDAB O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)N1CCc2ccccc2C1 69418059 HJCHXGRJGBMYNO-UHFFFAOYSA-N 369.450 1.864 0 40 FDAB COC(=O)CCCN(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 108345367 JMIBZKJPOGONSZ-HUBLWGQQSA-N 357.476 1.124 0 40 FDAB COc1ccc([C@H](NC(=O)CN2CSCC2=O)c2nccn2C)cc1 12601211 AESWCNSDLLVTGF-INIZCTEOSA-N 360.439 1.167 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12774963 VBCHBYOQMOZPLS-CYBMUJFWSA-N 370.409 1.800 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)Cn2cccn2)cc1 36615160 QIIFRYGRBSSPLL-LBPRGKRZSA-N 352.416 1.676 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12862986 OOWSFQVEKYROSU-PBHICJAKSA-N 352.818 1.938 0 40 FDAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 12817622 LMSHWUFEUGSBSM-UHFFFAOYSA-N 367.427 1.949 0 40 FDAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 3450738 PUGHAFBFCSVBRP-UHFFFAOYSA-N 367.361 1.787 0 40 FDAB CCc1c(COC)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O 22448447 MALVVTWNLMEJAS-UHFFFAOYSA-N 358.442 1.814 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCn1ccnc1 13687386 GMCIDNSEVIFCIE-UHFFFAOYSA-N 367.409 1.125 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 4314108 VCPGFWQTWGAPLQ-CYBMUJFWSA-N 351.410 1.913 0 40 FDAB Cc1cc(COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)no1 5292058 ZXLPMMYORJDRBV-SFHVURJKSA-N 355.350 1.635 0 40 FDAB CC(C)n1nnnc1SCC(=O)N(C)Cc1ccc2c(c1)OCCO2 14189550 MVNKSZQCCSDCMT-UHFFFAOYSA-N 363.443 1.776 0 40 FDAB O=C(COC(=O)CNC(=O)c1cccc(Cl)c1)NCc1ccccc1 5700387 BWGDIBZXKCOIRU-UHFFFAOYSA-N 360.797 1.929 0 40 FDAB COc1cc2c(cc1NS(=O)(=O)c1c(C)noc1C)n(C)c(=O)n2C 28049101 OFUALVAVPTUJFC-UHFFFAOYSA-N 366.399 1.291 0 40 FDAB CCOC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2)c1C(=O)OCC 4969609 XJUVWVUDMKQNQE-UHFFFAOYSA-N 364.333 1.409 0 40 FDAB CCOc1ccccc1-n1ccn(CC(=O)NC2CCCC2)c(=O)c1=O 67256570 XTDYEFZIMSBRJC-UHFFFAOYSA-N 357.410 1.457 0 40 FDAB Nc1ccc2c(N3CCN(Cc4ccc(Cl)nc4)CC3)ncnc2n1 90093463 FAWDJZBJPUJKKF-UHFFFAOYSA-N 355.833 1.978 0 40 FDAB Cn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 71285687 LHCSIDRZJWCJTK-UHFFFAOYSA-N 360.393 1.030 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 8279657 IFEIUHBYFUJYCN-DJJJIMSYSA-N 373.409 1.005 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc2c(c1)OCO2 9446887 MZQDXRFQVLSGPP-UHFFFAOYSA-N 359.382 1.286 0 40 FDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1 9431650 XQMKVGQULKIBDE-UHFFFAOYSA-N 369.786 1.192 0 40 FDAB C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 79095593 ZQJWNPMUGSHOEC-CJNGLKHVSA-N 350.444 1.817 0 40 FDAB CN(C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CC(O)C1 95940287 SZIMQYVGOXQRLD-GTPINHCMSA-N 360.454 1.676 0 40 FDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1=O 95998224 HWAIVUPTHHNEGG-QGZVFWFLSA-N 369.469 1.492 0 40 FDAB CCN1CCC(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 22992106 PYKCVQSOLKJWSE-ZDUSSCGKSA-N 365.499 1.611 0 40 FDAB CN1CCN(CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)CC1 22592206 OCLMJQPTDZBCGD-OQLLNIDSSA-N 361.423 1.657 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 32093155 ICYLUOWYDXJIMH-UONOGXRCSA-N 355.394 1.454 0 40 FDAB CN1C[C@H]2CC[C@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306123694 AUAINRSAOQYWRQ-GDBMZVCRSA-N 363.483 1.671 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182870 CUDGALOWYRHYES-UHFFFAOYSA-N 355.401 1.256 0 40 FDAB CS(=O)(=O)N[C@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC2)C1 555885534 RJPNNYNVKKBGSP-LBPRGKRZSA-N 358.847 1.402 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCC3)c2c1 32102960 UTRGMEZMAYZRFM-FUTAKVPZSA-N 357.366 1.969 0 40 FDAB O=C(Cn1cnc2ccccc21)NCCNc1cc(-n2cccn2)ncn1 56903914 JKAFJESULCTXTE-UHFFFAOYSA-N 362.397 1.240 0 40 FDAB O=C(COc1ccccc1)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321065 DDIINVLUVAMEPM-VQIMIIECSA-N 356.378 1.253 0 40 FDAB biogenic,in-vitro COc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1OC 224215706 PRBBOEXKYNRBSP-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB O=S(=O)(c1cccc2cccnc12)N1CC[C@H](Oc2cccnn2)C1 225419114 OLEGJLYFIXSELR-AWEZNQCLSA-N 356.407 1.867 0 40 FDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1nccs1 80338519 OHJDFRVZYCCWSG-CQSZACIVSA-N 373.482 1.998 0 40 FDAB CCCC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96100396 YKKNBJMGYLBACE-UONOGXRCSA-N 364.471 1.321 0 40 FDAB COc1cccc(CC(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1 96219669 QZYFAIFBTSZLJV-BHYGNILZSA-N 357.410 1.788 0 40 FDAB Cc1cccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)n1 96237715 MZJZDRDBIPJYGW-NRFANRHFSA-N 364.449 1.953 0 40 FDAB C[C@H]1CN(CCO)[C@H](C)CN1c1nn2cc(-c3cccnc3)nc2s1 580533737 MRPGDSWENITSLU-OLZOCXBDSA-N 358.471 1.744 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061273 ILUNKSGMNARPPT-MRXNPFEDSA-N 350.459 1.576 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 95346210 KBKWSRPSKIHVNL-WNHURAKMSA-N 361.829 1.879 0 40 FDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)COCc2ccccc2Cl)n1 583621531 XTBVRBAYJFGINA-GXTWGEPZSA-N 351.790 1.883 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 247853247 BMRAUWVLJFTCFX-MRXNPFEDSA-N 354.410 1.770 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1CN(C2CCOCC2)Cc2ccnn21 247517900 WJYHKERXFVVRFG-GOSISDBHSA-N 355.442 1.173 0 40 FDAB COCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 243147987 JMTMXPYDFRNDEZ-UHFFFAOYSA-N 369.270 1.912 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)C1CCC(F)(F)CC1 257262012 LJQYQFFNNFGNPD-INIZCTEOSA-N 354.401 1.750 0 40 FDAB O=C1C[C@H](c2ccccc2)N(CCN2C(=O)c3ccccc3C2=O)CCN1 52834096 FZRUDTNLTIYVRW-GOSISDBHSA-N 363.417 1.846 0 40 FDAB C[C@H]1O[C@@H](c2ccc(F)cc2)C[C@@](O)(CNC(=O)C2CCOCC2)[C@@H]1O 257272723 NDOBXQNHZAAXSZ-MYFFOXHASA-N 367.417 1.310 0 40 FDAB C[C@H]1COC(=O)N1c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257288554 PUQUESZSXRDXCX-LBPRGKRZSA-N 368.459 1.413 0 40 FDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257233395 GPCSVVPXWLIDCQ-KRWDZBQOSA-N 358.446 1.428 0 40 FDAB CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 278364730 LXLNIWXGYXTKJZ-RIEGTJTDSA-N 358.360 1.734 0 40 FDAB CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccn(C)n1 274857638 ZLWPKFQWYAVSCH-ZIAGYGMSSA-N 358.446 1.586 0 40 FDAB Cc1onc(N)c1S(=O)(=O)N(C)Cc1ccccc1N1CCOCC1 289318222 KMWHSRMUPKNLHU-UHFFFAOYSA-N 366.443 1.223 0 40 FDAB O=C(CNS(=O)(=O)c1cccnc1)N1CC[C@@H](C2CCCCC2)C1 618188334 YFHKRWUGHCAOCS-OAHLLOKOSA-N 351.472 1.789 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3=O)C1 626575748 FWIYXIBQKOCGQD-LBPRGKRZSA-N 365.455 1.609 0 40 FDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC(N2CCCNC2=O)CC1 1116346108 NNJWWROFJYMLET-UHFFFAOYSA-N 358.446 1.097 0 40 FDAB C[C@H]1CN(c2ccc(C(=O)N=c3ccn(CC(=O)O)[nH]3)cc2)C[C@@H](C)O1 630134375 APTJAPFILNWQOI-BETUJISGSA-N 358.398 1.256 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)NC[C@H]2C[C@@H]2c2ccccc2)[C@H]1c1cnn(C)c1 648495021 VMMPQPBXPVCCPO-YCEFEEMOSA-N 368.437 1.238 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2cc[nH]c2n1 631171533 RFEKQXIXYYWOFC-OAHLLOKOSA-N 356.474 1.824 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)CCO1 681943380 MJMOMSUNUFKEFX-AWEZNQCLSA-N 368.817 1.423 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ccnc(F)c3)CC2)C[C@H]1COC 585103660 LVOQQSOTAGNEGP-INIZCTEOSA-N 365.449 1.810 0 40 FDAB Cn1ccc(CC(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@H]3C2)n1 585107961 MTHROLIRMQLDGP-ZWKOTPCHSA-N 372.444 1.604 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cn3nc(C)nc3C)CCO2)cc1 585277158 FYLHEEFZEWROIL-LJQANCHMSA-N 358.442 1.036 0 40 FDAB CC(=O)N1CCN(CC(=O)N(C)C)C[C@H](Cc2ccc3ncccc3c2)C1 585182376 XNNISNPSHLTANP-SFHVURJKSA-N 368.481 1.646 0 40 FDAB CC(C)c1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 58228067 KVHQAPJCBWXVGY-UHFFFAOYSA-N 359.426 1.079 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc(C(=O)OC)c1 66280818 FHRWCJHRGBFDMJ-CYBMUJFWSA-N 365.386 1.281 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)n1 69438040 KYFZBQRGQDIHTJ-LSDHHAIUSA-N 371.445 1.726 0 40 FDAB Cn1nc(C2CCN(CC(=O)NCc3ccco3)CC2)n(C2CC2)c1=O 77154215 JVQJWIPJSNRRBY-UHFFFAOYSA-N 359.430 1.006 0 40 FDAB Cc1cc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)nccn2n1 664184781 PUTSJASLMBHJOW-IYBDPMFKSA-N 361.405 1.659 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c(O)n1 1615125639 FUKXYAGEQPERGH-HXUWFJFHSA-N 367.405 1.744 0 40 FDAB CCCCn1/c(=N/C(=S)N(C)C)ss/c1=N\C(=S)N(C)C 18008525 VCNTXUVTNPELIL-XSYHWHKQSA-N 363.603 1.906 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19446097 YENWSLMVIZNSGK-NRTGNBEESA-N 360.410 1.138 0 40 FDAB Cc1nc(C2CCN(C(=O)C3CCC3)CC2)ncc1C(=O)N1CCOCC1 19752929 ILJMMYQNRHYOCV-UHFFFAOYSA-N 372.469 1.764 0 40 FDAB CC1CCC(C(=O)N[C@H](C(=O)NCCCN2CCOCC2)C(C)C)CC1 19900223 DUKYVKPIHXPZSU-ABHNRTSZSA-N 367.534 1.792 0 40 FDAB Cn1cncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 630141300 PFZBFXVNVFYCKD-AWEZNQCLSA-N 356.382 1.752 0 40 FDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)n1 1888843248 OTSRBQPTSVXQHP-PHIMTYICSA-N 366.347 1.437 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888860376 PPPVWEDQCANBLC-IJEWVQPXSA-N 367.453 1.229 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(Cc5nc(C(C)C)no5)C[C@@H]4C3)nn12 1888881713 KSRXMCDPWLKDKN-OKILXGFUSA-N 368.445 1.507 0 40 FDAB CN1C[C@@H](C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)CC1=O 1776001070 XZXZSKVJTOQKBK-INIZCTEOSA-N 372.469 1.840 0 40 FDAB Cc1cnc(OC[C@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1 1776000593 ZHANSYWJDJCXEW-INIZCTEOSA-N 353.488 1.701 0 40 FDAB Cc1cc(C)n2nc(C(=O)N[C@H](Cn3nccn3)c3ccccc3)nc2n1 240104250 UNGSHGRUJSIZDV-OAHLLOKOSA-N 362.397 1.504 0 40 FDAB CO[C@@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@@]12C[C@@H](C)C(=O)O2 257550477 TZPKEJFBTXRNTK-BVPLRJLUSA-N 351.443 1.902 0 40 FDAB biogenic CCc1ccc(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)cn1 1614931952 HNBMIRYBHSAPEA-FQEVSTJZSA-N 373.453 1.124 0 40 FDAB COc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)on1 1565552846 AOLYJSNBQZAIFQ-GJZGRUSLSA-N 358.398 1.194 0 40 FDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(Cl)c1 4107522 FEXHDNZWDOUBMP-GFCCVEGCSA-N 350.799 1.357 0 40 FDAB COc1ccc(NC(=O)CSc2nc(O)c3cn[nH]c3n2)cc1OC 4249619 ABDQVATWNQJECJ-UHFFFAOYSA-N 361.383 1.807 0 40 FDAB O=c1ccn(Cc2nnc(SCc3ccc(Cl)cc3)o2)c(=O)[nH]1 21704298 RLLCPNBMIPKKSU-UHFFFAOYSA-N 350.787 1.914 0 40 FDAB c1cncc(-c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)c1 1775974866 UUUAJUTVKWGOPH-UHFFFAOYSA-N 359.397 1.303 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)cc1 101117975 DBNHTRXACWOHNI-KBPBESRZSA-N 371.480 1.618 0 40 FDAB Cn1cccc1[C@H](O)CNS(=O)(=O)c1ccccc1Br 77101900 HVVUKCWESRXTDR-GFCCVEGCSA-N 359.245 1.800 0 40 FDAB CCOc1ncccc1CNC(=O)Cn1nc(O)c2ccccc2c1=O 32018300 BQBBAFFSFZAXNF-UHFFFAOYSA-N 354.366 1.212 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 46130950 ITJFYTYYILVJBX-CQSZACIVSA-N 362.401 1.899 0 40 FDAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c2c1 20722213 GKFADHBWLXZCLM-SFHVURJKSA-N 358.442 1.308 0 40 FDAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NCc1ccccc1 1985843 FSWSNCQWOVZYLW-SFHVURJKSA-N 366.417 1.895 0 40 FDAB c1cc(SCCN2CCOCC2)nc(SCCN2CCOCC2)n1 20840935 ZUHLPMHCPFKZRF-UHFFFAOYSA-N 370.544 1.325 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(OC2CCCC2)cc1 2801246 JGDTYTOGSCYUOC-ZYGGUILKSA-N 370.405 1.815 0 40 FDAB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccc(C)cc2)[C@@H]1OC(C)=O 4028463 WTYBDFZBSGLOIG-XDNAFOTISA-N 366.366 1.525 0 40 FDAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)N(CC(F)(F)F)C2=O)c1 32777536 KBUOSUQELCGQFA-UHFFFAOYSA-N 357.288 1.595 0 40 FDAB CN1N=C(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)CCC1=O 46356361 LPRBKOFNYNNZCE-UHFFFAOYSA-N 361.377 1.110 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C/C=C/c2ccccc2)CC1 32850919 RZWGJNGJTTVKTJ-OJXHRBAXSA-N 367.501 1.912 0 40 FDAB CCS(=O)(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C 10119388 CTMZOQBYLMHSEM-LBPRGKRZSA-N 358.485 1.572 0 40 FDAB COc1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1OC 21699962 CIGHLIQOMBOODX-CYBMUJFWSA-N 359.444 1.568 0 40 FDAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN(C)CCc1ccccn1 8636197 BVTSMOFYVPKDJS-JENIJYKNSA-N 360.502 1.029 0 40 FDAB biogenic,in-vitro CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc21 32902589 QUYFHYZCTCBSLL-SFHVURJKSA-N 364.449 1.876 0 40 FDAB O=C(O)CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 12296886 RFPPWHVPXKBXNJ-UHFFFAOYSA-N 369.329 1.745 0 40 FDAB biogenic CCCS(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 21682879 ZVILSEFBFGQUEZ-UHFFFAOYSA-N 353.444 1.094 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC 113945312 KMGTYULGDWGVPZ-UHFFFAOYSA-N 352.387 1.672 0 40 FDAB CCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1 24802732 UURGWHWTGUSFMM-GFCCVEGCSA-N 356.444 1.446 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(C)=O)C(=O)Nc2ccc(F)cc2)cc1 1390223 BSLJKVBWJLKNOC-INIZCTEOSA-N 359.357 1.916 0 40 FDAB Cc1ccc(Cl)c(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12542801 BOJVMECORMSWKS-UHFFFAOYSA-N 362.773 1.001 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCN(Cc2nnnn2C2CC2)CC1 58179696 MXVNGYWOVGDABF-UHFFFAOYSA-N 360.849 1.548 0 40 FDAB CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCCOC2)CC1 171595949 MDHBTYHTLVZSEW-LJQANCHMSA-N 360.502 1.802 0 40 FDAB Cc1cc(=O)c(C(=O)NCCNc2ncccn2)nn1-c1ccccc1F 48010446 NDIMCPNYABPNEZ-UHFFFAOYSA-N 368.372 1.312 0 40 FDAB Cc1c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2108678 FCYSSYDOGGGXSW-QMMMGPOBSA-N 353.758 1.982 0 40 FDAB biogenic CCN(CC)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccco1 58325845 FDZBMUITEVFHRG-KBPBESRZSA-N 374.528 1.699 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1S(C)(=O)=O 58416232 MKLUNLGTEMMSOP-UHFFFAOYSA-N 356.444 1.653 0 40 FDAB Cc1ccc(N2Cc3nc(=O)n(CC(=O)Nc4nccs4)n3C2=O)cc1 36355078 WTHOHDRBSMULQU-UHFFFAOYSA-N 370.394 1.437 0 40 FDAB COC(=O)c1ccc(COC(=O)Cn2nnc(-c3ccccc3)n2)cc1 3313754 KFNFSIKEAFWDPU-UHFFFAOYSA-N 352.350 1.870 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12734846 YRLOQMNLAKOHEO-AAEUAGOBSA-N 365.503 1.818 0 40 FDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493138 GSIUMBALMSUXQT-UHFFFAOYSA-N 354.823 1.644 0 40 FDAB CN1N=C(C(=O)Nc2nc(Cc3n[nH]c(=S)n3C)cs2)CCC1=O 12922192 ZBMMYIKHODPWRZ-UHFFFAOYSA-N 365.444 1.072 0 40 FDAB C[C@@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C(=O)N1CCOCC1 63249940 NIDJYELKADMKEF-KXMPLOMGSA-N 366.801 1.445 0 40 FDAB COC(=O)c1sccc1NC(=O)C(=O)NCCc1ccc(OC)cc1 13691464 ZOQUMBLVCKITLI-UHFFFAOYSA-N 362.407 1.841 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCn2nc(C)cc2C)c1 6083435 DOXWOYQBBPIYHL-UHFFFAOYSA-N 350.444 1.228 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 5070905 NRJBRHOEXLCWFI-UHFFFAOYSA-N 368.422 1.489 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O 8705768 YOXCUJOAYMPRPI-BDJLRTHQSA-N 350.444 1.637 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)NCc2ccc(OC)cc2)c2ccccc2O1 39992501 YBDGKKYMJSLZRI-SFHVURJKSA-N 369.421 1.325 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCN(Cc2ccccc2)C1 14093317 XRMDTDWILAHFSR-INIZCTEOSA-N 370.453 1.242 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)CSCc1nc(N)nc(N(C)C)n1 8988127 RBZZEQVEJOLAHZ-CYBMUJFWSA-N 374.514 1.891 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-n2cnnn2)cc1 15646145 WCHYTUZMTGARJU-UHFFFAOYSA-N 362.349 1.287 0 40 FDAB CCc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 9153904 MDPJIQCEFFLARX-AWEZNQCLSA-N 363.439 1.353 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1cccs1 84098833 CQAUHGKVLHBETB-SECBINFHSA-N 366.420 1.428 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCC3)C2=O)n1 7779304 JYKKFBGZDBIQKT-UHFFFAOYSA-N 367.413 1.870 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2Br)C1 8279598 NLKSNRPFPKKWGL-SECBINFHSA-N 359.195 1.691 0 40 FDAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(CNC(N)=O)cc2)on1 9456825 PXEADDBWROQGNO-UHFFFAOYSA-N 374.397 1.936 0 40 FDAB CCc1ccc(NC(=O)CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)cc1 95439426 CDMPLCMATOUFGH-LJQANCHMSA-N 369.425 1.778 0 40 FDAB Cc1c(-c2ccccc2)[nH]c(S[C@@H](C)C(=O)N2CCNC2=O)nc1=O 95941630 MZQWPYODCNEQJO-NSHDSACASA-N 358.423 1.778 0 40 FDAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(C)nn(C)c2n1 27985210 MAJUJXUELGOLOD-UHFFFAOYSA-N 373.438 1.163 0 40 FDAB Cc1cccc(N2Cc3nc(=O)n(CC(=O)Nc4nccs4)n3C2=O)c1 36359646 RGEJSIOPWHXZEI-UHFFFAOYSA-N 370.394 1.437 0 40 FDAB CN(C)c1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cn1 30585021 BEZKHZZHCRKLTK-HNNXBMFYSA-N 352.398 1.206 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)NCCCOC)S(C)(=O)=O)cc1 408907454 OJETXFXXJYGGMB-ZDUSSCGKSA-N 358.460 1.393 0 40 FDAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCn1nc(O)ccc1=O 32674752 SNLLHMDPCQUPBV-UHFFFAOYSA-N 373.369 1.421 0 40 FDAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217520587 ZEQZWWNYKMLSCC-UHFFFAOYSA-N 356.444 1.546 0 40 FDAB CCn1ccnc1CN(C(=O)Cn1ccccc1=O)[C@H]1CC12CCNCC2 575475597 UFCUBEYMHJVCNR-INIZCTEOSA-N 369.469 1.236 0 40 FDAB COc1ccc(N(CCCC(=O)NCCCN(C)C)S(C)(=O)=O)cc1 223992177 YWKMZJGGRMGPMJ-UHFFFAOYSA-N 371.503 1.309 0 40 FDAB O=C(CCCn1cccn1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96114509 LGRIGGVDEPJBHK-INIZCTEOSA-N 367.409 1.859 0 40 FDAB biogenic COc1ncccc1C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 96207386 NTLWMQBFHLSHKN-HNNXBMFYSA-N 356.426 1.986 0 40 FDAB O=C(c1ccc(O)nc1)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 333104846 FMFUEPMAPYSZLC-QGZVFWFLSA-N 367.405 1.465 0 40 FDAB COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccncc1)CC2 91680418 PVPSPMYZUHYSDL-UHFFFAOYSA-N 355.442 1.327 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1cn(CCOC)c(=O)c2ccccc12 95476218 JEPGSZAOXZGCJK-OAHLLOKOSA-N 357.454 1.862 0 40 FDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3cccs3)CC[C@@H]21)c1cnccn1 96056219 TXACONPDMFQKOS-JLJPHGGASA-N 358.467 1.805 0 40 FDAB Cc1cc(NC(=O)CCc2c(C)n[nH]c2C)n([C@@H]2CCS(=O)(=O)C2)n1 95474592 SJLKMUQOHVFIIE-CYBMUJFWSA-N 365.459 1.462 0 40 FDAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cnn(C)c1)C2 248103686 FMVGTXCEQVEBIR-OAHLLOKOSA-N 355.442 1.431 0 40 FDAB O=C(C1CCOCC1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247888841 XZTPIIFJLMRKIN-INIZCTEOSA-N 355.500 1.943 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 245171707 XQVYUCXTJHUICK-AWEZNQCLSA-N 362.407 1.905 0 40 FDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)[C@H]1O 257310304 UEOHWGLZBMHERJ-IIAWOOMASA-N 364.833 1.839 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCN)C2)c2cnccc2n1 257282392 OTOUICGNYQHGDB-IBGZPJMESA-N 357.458 1.077 0 40 FDAB Cc1cc(-c2cncn2C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257249703 JJKBIXIUXNRPAQ-CYBMUJFWSA-N 350.448 1.129 0 40 FDAB Cc1nccc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)n1 257211973 CBJAQHPQZPVXLL-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257305280 SPGDCUUGXUXKMW-ZHALLVOQSA-N 350.434 1.489 0 40 FDAB CC1CCN(C(=O)CN2C(=O)c3ccc(Cl)cc3S2(=O)=O)CC1 282122512 BOXFGRYTGRXTSB-UHFFFAOYSA-N 356.831 1.743 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2nc3cc(Cl)ccc3n2C)C1 643757593 QQISXXSHTGKLMA-QGZVFWFLSA-N 350.850 1.690 0 40 FDAB CO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C12CCC2 655316374 LXTLESLODDAZTL-JKSUJKDBSA-N 364.467 1.696 0 40 FDAB CN1CCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(c1ncnc3[nH]cnc13)CC2 1775992643 UEURIPPPUDYAMC-NJSLBKSFSA-N 369.473 1.455 0 40 FDAB C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](CN)C1)c1nnc2n1CCCC2 627001514 GESCBKHRHKKKJO-TUAOUCFPSA-N 374.411 1.844 0 40 FDAB CC(C)N1CC[C@H](CNC(=O)c2nnn(C3CCNCC3)c2C(F)F)C1 638078827 OBOGZZASLKMUKP-GFCCVEGCSA-N 370.448 1.600 0 40 FDAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 575405978 LPCPEQMMFZMMMF-CQSZACIVSA-N 366.443 1.279 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@@H](C)C2 585097051 FHFDTZCHQSCOGZ-HNNXBMFYSA-N 358.442 1.975 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)C2CCC2)CCO1 585282592 HPTWVBIZDRWVKB-SFHVURJKSA-N 350.390 1.478 0 40 FDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 54484392 URQOSUACYIRJND-INIZCTEOSA-N 363.433 1.126 0 40 FDAB O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2ccnc2)[C@H]1O 952844883 QVLGATOOEVZZFB-ARILJUKYSA-N 366.324 1.009 0 40 FDAB biogenic,in-vitro CCC(=O)N1C(=O)[C@@H](C)[C@]23c4cc(OC)c(OC)cc4C(=O)N2CCCN13 5662836 JXNRSNCIPYXLIB-WYRIXSBYSA-N 373.409 1.348 0 40 FDAB CCC(CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C 13008501 ZUPGPJLZIBERFJ-HNNXBMFYSA-N 356.492 1.822 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C)N1C(=O)N1CCOCC1 13568358 WSBPIKKXKHDOFO-QWHCGFSZSA-N 371.434 1.319 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 19237932 OXXWABHQSRGPJS-KBXCAEBGSA-N 368.485 1.969 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 19239891 QZMVHVOPHHTDOY-HNNXBMFYSA-N 364.409 1.353 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406884 UISDRSDIZZTEAF-ZDEQEGDKSA-N 373.379 1.841 0 40 FDAB CCN(C(=O)CCS(=O)(=O)c1ccc(F)cc1)C1CCN(C)CC1 19654957 MLHPDSMPHFZKDS-UHFFFAOYSA-N 356.463 1.932 0 40 FDAB NC(=O)c1cc([C@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 19759345 FFCHVPZNOFPMOV-GOSISDBHSA-N 362.389 1.942 0 40 FDAB CCn1c(O)nc2ccc(C(=O)N3C[C@@H](C)S(=O)(=O)[C@H](C)C3)cc21 655092025 RYBPAOOMFNHZLJ-GHMZBOCLSA-N 351.428 1.409 0 40 FDAB CCc1c(C)nc2n(c1=O)[C@H](CC(=O)N1CCN(CC)CC1)CS2 14035409 IIRADWGPYHCXCN-CYBMUJFWSA-N 350.488 1.315 0 40 FDAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 16899945 QZXBDPLUBSEOKX-VXGBXAGGSA-N 370.814 1.294 0 40 FDAB Cn1ccnc(NC[C@@H]2CN(c3ncc(Cl)cc3F)CCO2)c1=O 684588607 WPVWYJQRUSPJSG-LLVKDONJSA-N 353.785 1.285 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)[C@]2(CCN(C)C2=O)C1 1565544700 QUPARHXEFFSPAB-HXUWFJFHSA-N 373.501 1.452 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@@H]3C2)n[nH]1 1565554696 XIRWCRPPJNBAFP-ZIAGYGMSSA-N 366.425 1.414 0 40 FDAB O=C(NCCS(=O)(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 4940916 CIEKWJYUCKXZLL-UHFFFAOYSA-N 362.407 1.265 0 40 FDAB Cn1nnc2c(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc21 12443912 YKYLOXPLWFEPMG-UHFFFAOYSA-N 366.425 1.006 0 40 FDAB O=C(c1cccnc1)N1CCO[C@@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 2055796004 IWGJOUPNYBNUMY-QGZVFWFLSA-N 365.380 1.570 0 40 FDAB CC(C)NC(=O)c1noc2c1C[C@H](NS(=O)(=O)c1ccccc1)CC2 2055745737 XHIASENGXKLENO-GFCCVEGCSA-N 363.439 1.649 0 40 FDAB COc1ccccc1NC(=O)C[C@H](NCCNCc1ccccc1)C(=O)O 22792386 KHPFDTTWEDPNMD-KRWDZBQOSA-N 371.437 1.856 0 40 FDAB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011395 XEUVJSZYSDFOQR-ZETCQYMHSA-N 371.444 1.576 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccc(F)cc2)nn1 863391747 NXZNWULWUHDJMK-CQSZACIVSA-N 361.402 1.762 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccccc2)cc1 28209422 ONXYJOYZUSXTAJ-KRWDZBQOSA-N 372.446 1.991 0 40 FDAB CCCC[C@@H](C(=O)Nc1cc(C)on1)n1cnc2c1c(=O)n(C)c(=O)n2C 10432349 XSBOBMKRQFMKEF-NSHDSACASA-N 374.401 1.100 0 40 FDAB Cc1oc(C(=O)NCCc2cccnc2)cc1S(=O)(=O)N1CCCC1 40153337 GVJNYFRSXANPNE-UHFFFAOYSA-N 363.439 1.740 0 40 FDAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC(=O)NCC(=O)O 40285365 XWDDVUWIOQLDRB-UHFFFAOYSA-N 367.814 1.703 0 40 FDAB COCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 20762543 JRLPDVUBRYQPSX-UHFFFAOYSA-N 359.426 1.604 0 40 FDAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCOC)cc1 4938385 KRRBYZIHOYODCX-INIZCTEOSA-N 370.471 1.391 0 40 FDAB C[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cn1 6101132 OHTCGVQLNPWCKF-SECBINFHSA-N 351.746 1.628 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCCC1 6678701 OWMLDCLBBVVSES-UHFFFAOYSA-N 359.407 1.488 0 40 FDAB CCN1CCC(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1 7728571 MIVPBTXISYSGGP-UHFFFAOYSA-N 366.893 1.811 0 40 FDAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 7806969 QSHOTWIEQJSSEO-NEPJUHHUSA-N 358.394 1.662 0 40 FDAB CC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C(C)C 7979913 GHZIHXZTTBFMBN-HNNXBMFYSA-N 369.487 1.863 0 40 FDAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(-n2cnnn2)cc1 32860006 SXBHPFKDAQYUBT-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB CN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O 8769439 ROBJBUXLGBCTGS-UHFFFAOYSA-N 357.819 1.045 0 40 FDAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 32906041 LLFBPKFSPKWOHG-GFCCVEGCSA-N 368.434 1.839 0 40 FDAB CC1CCN(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 23074573 GRPKWGOKZMBOLD-UHFFFAOYSA-N 369.421 1.707 0 40 FDAB CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@H](C(N)=O)CC2=O)CC1 57328035 BBNNLXSMQPALJP-JSGCOSHPSA-N 363.845 1.557 0 40 FDAB CCOC(=O)N1CCN(Cn2nc3nc(C)cc(C)n3c2=S)CC1 23381737 ZRHGEPFYYYZKEX-UHFFFAOYSA-N 350.448 1.609 0 40 FDAB CC(=O)c1ccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 23641708 JRGBUJVRLQIGFP-UHFFFAOYSA-N 359.382 1.554 0 40 FDAB CCCCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O 23642161 WFWYGDGVTXODLK-UHFFFAOYSA-N 358.442 1.259 0 40 FDAB CC(C)C[C@H](C(=O)N(C)Cc1cnn(C)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 24471626 GTNHWHLLJKXUEF-YESZJQIVSA-N 372.469 1.744 0 40 FDAB CCN(Cc1cccc(OC)c1OCCn1ccnc1)[C@H]1COC[C@@H]1O 55108825 FTTXSVIMOIORCD-IRXDYDNUSA-N 361.442 1.552 0 40 FDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC(=O)Nc3ccccc3)C2)n1 106179834 XHGHAHOTRUKOMU-INIZCTEOSA-N 370.457 1.955 0 40 FDAB CN1C(=O)[C@H]2C(=NN[C@@H]2c2c(O)c3ccccc3n(C)c2=O)c2ccccc21 100361600 SKVUSAKIFXNQAN-YJBOKZPZSA-N 374.400 1.885 0 40 FDAB C[C@H](NC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)c1ccco1 25258719 XCFXWRSRUFVNNP-LBPRGKRZSA-N 361.423 1.976 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 47927938 UOBZPNONAMBQQS-UHFFFAOYSA-N 373.417 1.713 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H](C)N1 109067123 JPZUOMMHMLYUDK-AOOOYVTPSA-N 366.892 1.114 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1 36122911 TUTHORKRSLVISQ-UHFFFAOYSA-N 359.451 1.632 0 40 FDAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 36367256 XOMZCVSOPRJTGZ-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB COc1ccc(-c2nnc(SCc3nc(N)nc(N(C)C)n3)o2)cc1 11265353 CGVBDPJIAIKGQI-UHFFFAOYSA-N 359.415 1.871 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 25373585 ZFDYMKYHIQZBDC-KRWDZBQOSA-N 369.487 1.280 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)C[C@@H](C)O1 3463600 GTODZIATXSOLIM-ZIAGYGMSSA-N 351.447 1.657 0 40 FDAB CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1C2CC3CC(C2)CC1C3 23153175 KUSYLAICPPJGCR-UHFFFAOYSA-N 354.516 1.941 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)cc1 14122297 GNNXWGOXVQIFDF-INIZCTEOSA-N 361.375 1.930 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC)CC2)cc1Cl 4511266 ZMUDUPSGYNMEQK-UHFFFAOYSA-N 360.863 1.885 0 40 FDAB O=C1CSc2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2N1 6590729 YPTQQDMLFRFQLL-UHFFFAOYSA-N 374.422 1.630 0 40 FDAB CCn1c(=O)n(CCC(=O)N[C@@H](CC(C)C)C(=O)OC)c2ccccc21 24727796 ZQJNOLBOARGAIG-AWEZNQCLSA-N 361.442 1.917 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(OC)c1 4939424 URQASQCDTYSTEU-CYBMUJFWSA-N 359.334 1.008 0 40 FDAB biogenic O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCCO1 16655111 VNUGQOVBCUKVLQ-OAHLLOKOSA-N 361.398 1.085 0 40 FDAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)NCCO)cc1 408774095 AMOMMVQUWHWECW-UHFFFAOYSA-N 356.488 1.711 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)N1 70076841 IIBLPZYDXJDQQT-DTORHVGOSA-N 351.241 1.959 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)c1cnc2sccn2c1=O 8366727 ZBYSSRAGZMXIMI-UHFFFAOYSA-N 356.407 1.687 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 19990191 GOJLZNOXJZAQDY-HEHGZKQESA-N 360.410 1.604 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCN(c4ncccn4)CC3)nn12 9723794 CDYXDBKQRNGAEJ-UHFFFAOYSA-N 350.308 1.260 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 72273179 YGFSHWUYSCYNOJ-TVQRCGJNSA-N 367.393 1.622 0 40 FDAB O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 95475547 SDYFHFAMXUTYDQ-HNNXBMFYSA-N 351.414 1.095 0 40 FDAB CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3c(C)cc(O)cc3C)O2)C1 306135316 ONMUJPJYGGLZHD-QUCCMNQESA-N 362.470 1.895 0 40 FDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(c4nnc(C)s4)C[C@H]23)cs1 306123641 ASUKPQPDHZNAQH-DMDPSCGWSA-N 365.484 1.493 0 40 FDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCC(C)C 408626726 WEHONSJQTFHRQR-UHFFFAOYSA-N 370.471 1.167 0 40 FDAB CC(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 71768196 OZKSHGUHMLGDQL-UHFFFAOYSA-N 357.454 1.835 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(N)CN)cc1 218168766 PTPFNGVQICZZJF-KURKYZTESA-N 360.435 1.320 0 40 FDAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72378979 DQZYXKCATAJSQU-KRWDZBQOSA-N 369.469 1.614 0 40 FDAB O=C(NCCOc1ccccc1)NCC1(OCCO)CCSCC1 1565520029 BTHSZBJVWLUXSW-UHFFFAOYSA-N 354.472 1.639 0 40 FDAB NC(=O)CNC(=O)CCC(=O)Nc1ccc(OCCc2ccccc2)cc1 199420643 QJIBTYQHOJQNNU-UHFFFAOYSA-N 369.421 1.628 0 40 FDAB CN1C(=O)CCc2cc(C(=O)N3CCNC[C@H]3c3nccn3C)ccc21 572511853 VXIZQUGJMCBNDQ-INIZCTEOSA-N 353.426 1.116 0 40 FDAB CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112776 LPAFVODZTMFAJP-ZDUSSCGKSA-N 365.455 1.280 0 40 FDAB biogenic,in-vitro Cn1nnnc1COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 96101405 QHNOFJKQWBHAHB-UHFFFAOYSA-N 367.365 1.699 0 40 FDAB CCOC[C@H]1C[C@@]2(COCCN2S(=O)(=O)c2cccc(C)c2)CO1 96240742 UNMGFRLLGPTSTJ-NVXWUHKLSA-N 355.456 1.580 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC[C@@H](O)C2)Oc2ccccc21 247853348 IGNOGTUSSJKHTN-XDRXCXCGSA-N 370.449 1.925 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@](O)(CN2CCOCC2)CC1 257313092 UQZYLEFPOAKZGJ-LJQANCHMSA-N 358.442 1.252 0 40 FDAB CN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCN(S(C)(=O)=O)CC1 273460926 VUKDPSZCALJRBP-UHFFFAOYSA-N 366.361 1.306 0 40 FDAB Cn1c(=O)c2ccc(C3CCNCC3)nc2n(Cc2ccccc2)c1=O 616575106 FGBNUARFEOIYCX-UHFFFAOYSA-N 350.422 1.611 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@@H]1c1ccccc1 649251813 WMDYCJHCXROYHI-DJIMGWMZSA-N 351.406 1.908 0 40 FDAB COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3cccs3)C2)cc1 96377809 ZJRXEPGFZOBTPE-UHFFFAOYSA-N 351.449 1.984 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585096543 RYWBQZGSOGVGCS-VNHYZAJKSA-N 353.426 1.767 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2scnc2C)Cc2ccnn21 585112799 VMGKJTOWDWKTAX-ZDUSSCGKSA-N 355.489 1.144 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@H]12 585109396 MXLKDRKXPJIMOL-JFIYKMOQSA-N 355.394 1.149 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C 585098611 ZQWPYSNBGVMQMK-GFCCVEGCSA-N 358.398 1.689 0 40 FDAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccc(=O)[nH]c1=O 58209688 IDRGJAVFURQPGJ-UHFFFAOYSA-N 356.209 1.892 0 40 FDAB CCCc1nc2n(n1)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 17073577 JXVWELMVULWCKT-ZDUSSCGKSA-N 356.386 1.711 0 40 FDAB O=C(NC1CC1)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCC2 17076256 BEZSNKPYAQOTLM-AGCIHXOGSA-N 372.446 1.796 0 40 FDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)CN4CCCC4)CC3)cc2N1 19345455 AMWRAMXJMGNEDC-UHFFFAOYSA-N 371.437 1.535 0 40 FDAB Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc([C@H]2CCCN2)n1 19697999 VASIHLVMCITSLB-GOSISDBHSA-N 357.502 1.559 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C(C)C)C1)C2=O 19699991 PZRSEYLUGXXARD-HNNXBMFYSA-N 364.490 1.430 0 40 FDAB CCN(CC)c1nc(Cn2nc(OC)c3ccccc3c2=O)cc(=O)[nH]1 19717524 GSAYRJPATAVGNO-UHFFFAOYSA-N 355.398 1.383 0 40 FDAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)o1 19745813 HPNAVPJQINUAIF-CYBMUJFWSA-N 358.464 1.072 0 40 FDAB C[C@@H](NC(=O)/C=C/c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 4544530 IALVRPKNGOHYGE-IJAHNMCUSA-N 355.394 1.010 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 12094810 BQULUDXONMYZLX-CYBMUJFWSA-N 353.440 1.894 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]4C3)nn12 1888875705 ZUJIAVXOKIVGOE-GJZGRUSLSA-N 370.457 1.008 0 40 FDAB CCc1ncnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c1F 1888913547 CNNXAJOLKAQLDV-UHFFFAOYSA-N 373.436 1.131 0 40 FDAB Cc1cc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)no1 1888929980 DWBPWDKWEWHEAA-KBPBESRZSA-N 372.450 1.496 0 40 FDAB O=C(c1ncccc1O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 1848354070 NZRGARJIEKRMCF-KRWDZBQOSA-N 369.412 1.876 0 40 FDAB CN(C)c1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cn1 30571657 IFDMAFALXBCGQF-UHFFFAOYSA-N 366.429 1.440 0 40 FDAB COc1ccc(CCN(C)C(=O)c2nc3nccc(C)n3n2)cc1OC 30866943 OVOSWHHJGSKMFS-UHFFFAOYSA-N 355.398 1.765 0 40 FDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)COc2ccccc2)no1 1775963994 MXEVILRTJOIKHQ-AWEZNQCLSA-N 374.397 1.075 0 40 FDAB biogenic,in-vitro COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1 238895427 QZKWOBLCWWJSIX-CQSZACIVSA-N 362.407 1.710 0 40 FDAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565553187 NKJOLHGWPKSQOE-UHFFFAOYSA-N 360.443 1.453 0 40 FDAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565555492 BNOCNSWZSLEKOF-UHFFFAOYSA-N 358.442 1.754 0 40 FDAB O=C(c1csnn1)N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1 1565553931 HLTMVRIWVXONFK-CYBMUJFWSA-N 370.481 1.279 0 40 FDAB O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccc(Cl)cc1 10594561 MDZRTFAYUVAUMC-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38554336 SNMBNPYGPGVCOZ-UHFFFAOYSA-N 361.427 1.679 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)C1 575615003 APSARCFSLWMXMV-FRRDWIJNSA-N 358.460 1.031 0 40 FDAB CN(C(=O)[C@@H]1CCc2ccccc2O1)C1CN(c2ccc3nncn3n2)C1 585592763 RBAFPCGAWNAKRY-INIZCTEOSA-N 364.409 1.165 0 40 FDAB Cc1nc(N2CCN(C(=O)c3cccc4c3OCCO4)CC2)nc(O)c1F 2298048042 YDBYEIINOIMOMW-UHFFFAOYSA-N 374.372 1.363 0 40 FDAB O[C@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)Cn1cccn1 40153623 LYHDHUIXUBEBQK-CYBMUJFWSA-N 356.257 1.768 0 40 FDAB COc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)c(OC)c1 100805520 WJPKPUSNXPCASB-ZACQAIPSSA-N 354.362 1.838 0 40 FDAB CCCOc1ccc(N2C(=O)C[C@H](N(CCCO)C(=O)CC)C2=O)cc1 100838310 LLSPVUPJDUFFRD-INIZCTEOSA-N 362.426 1.728 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 100871315 XFOXJSLOKBYOAR-CJRXUFQTSA-N 361.401 1.627 0 40 FDAB COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1 4355145 MMXBJNREMODJCM-UHFFFAOYSA-N 358.470 1.593 0 40 FDAB CCN(CC)C(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030437 FZFQHWHQLARETK-AWEZNQCLSA-N 359.469 1.129 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)nc2n1 7982759 IKYCAKCWXDCJSY-UHFFFAOYSA-N 354.322 1.510 0 40 FDAB NC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1OC(F)F 7985754 ZHAUPCYNRXWOHU-UHFFFAOYSA-N 357.096 1.947 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCCN1C(=O)c2ccccc2C1=O 7986042 CAVJLJNKTMATNH-UHFFFAOYSA-N 360.391 1.448 0 40 FDAB CCN(c1ccc(OCC(=O)NCCCOC(C)C)cc1)S(C)(=O)=O 10010042 LVKGFLQJUYCNBF-UHFFFAOYSA-N 372.487 1.783 0 40 FDAB C[C@H]1CN(C(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)C[C@H](C)O1 2793270 YWJHINXYLVFFQZ-KBPBESRZSA-N 367.413 1.292 0 40 FDAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@@H]1CCCCNC1=O 32913423 ISINVTRHFIXUON-HZPDHXFCSA-N 373.453 1.380 0 40 FDAB O=C(C[C@@H](C(=O)O)N(CCO)Cc1ccccc1)NCc1ccccc1 10384127 RSBBOTWGKQBSSK-SFHVURJKSA-N 356.422 1.641 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1)NC1CC1 22931728 CSPKSDPTJRMZEL-AEFFLSMTSA-N 362.518 1.064 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1cccc(Cl)c1 105928182 KMKIKJRLFQFSAP-WRFANHODSA-N 358.825 1.806 0 40 FDAB O=C(Cc1ccsc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24781621 GMSOWGBYPCPALU-UHFFFAOYSA-N 354.439 1.615 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 3297369 CYJZCMFJJTYPNJ-CYBMUJFWSA-N 354.362 1.982 0 40 FDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 44830170 ABNBASJQIFABCL-HUUCEWRRSA-N 364.423 1.832 0 40 FDAB Cc1nc(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n(CC(C)C)c1C 27928001 OVLQROPKUXEART-KBPBESRZSA-N 373.544 1.940 0 40 FDAB C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1 12792226 SEMGKTAPKJMPKI-LDYMZIIASA-N 353.762 1.198 0 40 FDAB O=C(NCCOc1cccc(F)c1)N1CCN(C[C@@H]2CCCO2)CC1 59322838 UNEVOQTYDFFOGX-KRWDZBQOSA-N 351.422 1.711 0 40 FDAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)no1 3431657 CRVJMYGVKZMEKT-UHFFFAOYSA-N 356.304 1.909 0 40 FDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1cc(O)nc2nc(-c3ccccc3)nn12 17970988 ZIUSNPVVAFJSBF-STQMWFEESA-N 361.361 1.953 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 13723753 SRAZCRUMAZASQA-ZDUSSCGKSA-N 360.443 1.638 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc3ccccn23)c1 6114815 OJGMCMQHWIUING-UHFFFAOYSA-N 363.424 1.108 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)COc1ccccc1 5172878 JRJGETFJLHQFKS-UHFFFAOYSA-N 369.421 1.553 0 40 FDAB COCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4435578 VHHCBIMOJUKLQE-OAHLLOKOSA-N 366.776 1.827 0 40 FDAB O=C1CN(C(=O)COC(=O)c2cccnc2Sc2ccccc2)CCN1 14043351 TWJLYRIQHUCYQX-UHFFFAOYSA-N 371.418 1.348 0 40 FDAB COc1cccc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c1 14159654 JVNFAFXCYBMNHB-UHFFFAOYSA-N 354.410 1.169 0 40 FDAB COC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)C(C)C 4682405 ZTSQAHTWRCIGRU-NVXWUHKLSA-N 372.421 1.935 0 40 FDAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 6607144 NYWIEUYGFOGGNW-NSHDSACASA-N 366.222 1.454 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 6779902 WKVSUBSULOUWMU-KGLIPLIRSA-N 354.428 1.766 0 40 FDAB CCN(C(=O)CSc1nc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 5827114 BUVKJNVGUSBUIR-GFCCVEGCSA-N 367.496 1.701 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1 4968839 VLTWVDFRAMKCFA-UHFFFAOYSA-N 370.456 1.787 0 40 FDAB Cc1ccc(CN(C)C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)o1 7028035 FAYZRJHAOREXFU-UHFFFAOYSA-N 355.350 1.640 0 40 FDAB O=C(Cc1cn2ccsc2n1)NCC(=O)Nc1ccc(F)c(F)c1 15538186 OJYAJLAXHKUUPM-UHFFFAOYSA-N 350.350 1.971 0 40 FDAB COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c(OC)c1 8867281 FWVCNDTYVDAOFB-UHFFFAOYSA-N 371.802 1.803 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 7779204 DCBQAZWPAGCJPR-MRVPVSSYSA-N 370.283 1.997 0 40 FDAB CS(=O)(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1 9263095 WEDLJPXRQHOEET-UHFFFAOYSA-N 360.848 1.536 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609497 YDIZDUMISUTESE-UHFFFAOYSA-N 368.499 1.690 0 40 FDAB O=S(=O)(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccnc1 96002631 GDDPVVBEHHXDEB-AWEZNQCLSA-N 373.413 1.773 0 40 FDAB O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1CCS(=O)(=O)C1 9364581 JAYHNUJRXOZTDC-SECBINFHSA-N 354.375 1.496 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1OC 9483772 OWHZEBYFLDKSHZ-LLVKDONJSA-N 367.427 1.316 0 40 FDAB O=C(C[S@](=O)Cc1nnnn1-c1ccccc1)Nc1cccc(F)c1 72274718 HTUXSCDYCVUFEB-VWLOTQADSA-N 359.386 1.689 0 40 FDAB COC(=O)c1ccc(F)c(S(=O)(=O)NCc2noc(C(C)(C)C)n2)c1 72313074 ILUHWEBQWKXUEN-UHFFFAOYSA-N 371.390 1.771 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 79464356 OHIRRQJKPBQQHP-LBPRGKRZSA-N 351.428 1.690 0 40 FDAB O=C(NCCC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(F)cc1F 95401020 YZSSYOOZCBIOET-CQSZACIVSA-N 366.286 1.610 0 40 FDAB Cc1cnc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 95999350 XIJYTHHTVXFGBM-UHFFFAOYSA-N 358.423 1.002 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 74629733 ZNMJTYBFLSSLMU-UHFFFAOYSA-N 357.395 1.049 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1C 408620946 KMSCCZJBKYVXSX-UHFFFAOYSA-N 363.439 1.245 0 40 FDAB O=C1NC(=O)c2cc(NC(=O)N(CCCO)Cc3cccnc3)ccc21 89793975 KFSYEDXJXDNHEW-UHFFFAOYSA-N 354.366 1.382 0 40 FDAB CN(C)CC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn21 306133012 LYUYEAZHVOZELO-HNNXBMFYSA-N 352.442 1.919 0 40 FDAB CCOC(=O)c1cnc(NC[C@H]2CCCN2c2cc(NC)ncn2)cn1 548285067 IVKWIWZFYITLRO-GFCCVEGCSA-N 357.418 1.566 0 40 FDAB CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(CC(N)=O)C2)cc1 72361824 YEGYDFCYONEUPE-AWEZNQCLSA-N 369.425 1.892 0 40 FDAB CC(C)(O)C(=O)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353583 IMJHPDNKNQIMED-INIZCTEOSA-N 354.454 1.755 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35808672 BAUVBXLDNZRGPD-GRGSLBFTSA-N 373.497 1.527 0 40 FDAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)O 71328818 DIYQOSOVHZMXHQ-OAHLLOKOSA-N 361.373 1.665 0 40 FDAB CC(C)NC(=O)c1nsc(C(=O)NCc2ccc3c(c2)OCO3)c1N 62006814 AYCDIRMMCIWBNB-UHFFFAOYSA-N 362.411 1.522 0 40 FDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc2c(c1)OCO2 218139073 BOKVLSLNUWIKTD-KCQAQPDRSA-N 357.453 1.235 0 40 FDAB O=C(CCc1ccccc1)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321060 KVNFNCBACONSQM-YLJYHZDGSA-N 354.406 1.806 0 40 FDAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@@H](O)c2ccsc2)nn1 225582660 CNACGCHTEKRDIC-CQSZACIVSA-N 372.406 1.732 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)cc1 80338651 HOTGYGMDHGSUEG-CYBMUJFWSA-N 372.404 1.475 0 40 FDAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccno1)CC2)c1cnccn1 77144512 UFLJONPFPFLPLB-UHFFFAOYSA-N 356.367 1.372 0 40 FDAB COCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224419163 CXYLLRILRUAFAN-UHFFFAOYSA-N 356.444 1.003 0 40 FDAB Cc1ccc(N2C[C@@]3(COCCN(Cc4nccn4C)C3)OCC2=O)cc1 96240092 HUCYXSMCFXMOCH-FQEVSTJZSA-N 370.453 1.363 0 40 FDAB O=C(CN1CCOCC1=O)Nc1ccc(C(=O)Nc2nccs2)cc1 579902681 MHNMGDJHZOFAQJ-UHFFFAOYSA-N 360.395 1.193 0 40 FDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1cccnc1 96044408 UTQYNFCZJBRIBP-QGZVFWFLSA-N 356.426 1.749 0 40 FDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1ccccn1)C2 96251100 XWIBEUCQBAXRQP-VQIMIIECSA-N 352.442 1.089 0 40 FDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@@H]3C2)no1 96043012 GECYBUAOAXULJH-RYQLBKOJSA-N 356.426 1.674 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c1C(F)F 583918897 ANUHTANVFPWMSI-VIFPVBQESA-N 351.375 1.542 0 40 FDAB CCn1cc(-c2ccnc3cc(C(=O)NC4CCOCC4)nn23)c(C)n1 257336058 YMZNGZFSAHWDSU-UHFFFAOYSA-N 354.414 1.830 0 40 FDAB Cc1cnc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)cn1 253600997 GKVGZDLXWWMVDZ-INIZCTEOSA-N 354.410 1.770 0 40 FDAB Cc1ocnc1C(=O)NC[C@]1(O)C[C@H](c2cccc(F)c2)O[C@H](C)[C@H]1O 257235522 GYEYBVYLQDLFRS-USJGZYJXSA-N 364.373 1.494 0 40 FDAB C[C@@H]1NC(C(=O)NC(C)(C)[C@@H]2CCCCO2)=NN(c2ccccc2)C1=O 1643926789 MYGCVLCXRJYBHC-ZFWWWQNUSA-N 358.442 1.789 0 40 FDAB COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2c(C)cnn2C)cc1 671644578 PYUVQEMKWUCYEI-ZDUSSCGKSA-N 353.400 1.231 0 40 FDAB Cn1ncnc1CN1CCC[C@H](COc2ncc(Br)cn2)C1 1775995293 MKSLZNFDOXECHF-NSHDSACASA-N 367.251 1.659 0 40 FDAB O=C(COc1ccccc1)N1CCC(CNC(=O)N2CCNC2=O)CC1 96120351 UZMJDPRLAWHZFQ-UHFFFAOYSA-N 360.414 1.039 0 40 FDAB O=C(NCc1ccnc(N2CCCC2=O)c1)[C@@H]1COc2ccccc2O1 575609250 SJIMOXZDMLQVBN-INIZCTEOSA-N 353.378 1.665 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)c1 575404967 QLOKQRZDEKPJHI-ZHALLVOQSA-N 367.449 1.851 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCCO3)[C@@H]2C 585097351 KLRCGXNBVMEGIW-GFCCVEGCSA-N 358.398 1.803 0 40 FDAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)nnn1-c1ccc(Cl)cc1 585269094 HQHQNCMDRWKUGL-IIAWOOMASA-N 364.833 1.575 0 40 FDAB O=C(C1CCN(C[C@H](O)c2ccccc2Cl)CC1)N1CCOCC1 46056783 DHESOPSPINLPFM-KRWDZBQOSA-N 352.862 1.944 0 40 FDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 58323392 MEUNSPDIIPXASK-CYBMUJFWSA-N 357.410 1.143 0 40 FDAB Cc1cccc(N2CCC(O)(CN3C[C@H]4CCCN4C[C@@H]3CCO)CC2)c1 1615190977 LLOMVFJSHXIKHB-RTWAWAEBSA-N 373.541 1.857 0 40 FDAB Cc1nc(CN2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)cs1 1615528132 NJJVSJGBKLQQPB-MLGOLLRUSA-N 359.459 1.371 0 40 FDAB CN(C)c1ncc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cn1 12203612 RXOMPKMYQDINIA-AWEZNQCLSA-N 357.414 1.304 0 40 FDAB COc1ccc(C(=O)NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 14198330 GFWQCRMDEXABEL-UHFFFAOYSA-N 371.393 1.003 0 40 FDAB C[C@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)N1CCOCC1 19080234 MIDDQQWVXPCHCY-OAHLLOKOSA-N 369.469 1.659 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 8105198 XSVNQUHADHHBNB-WQLSENKSSA-N 365.367 1.394 0 40 FDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3cccc4ncccc34)C2)CC1 607853931 OYQNJSIWFQSCEC-HXUWFJFHSA-N 354.454 1.059 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1Cl 643431497 MNUCSPZBWRSTPA-GVXVVHGQSA-N 357.815 1.154 0 40 FDAB COc1cccc([C@H](CO)NS(=O)(=O)c2cccc(OC)c2F)c1 655523432 IMRMAMIYWYBPQR-ZDUSSCGKSA-N 355.387 1.855 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn2ccccc12 656857754 REASURBUORUWHP-GUYCJALGSA-N 352.398 1.300 0 40 FDAB O=C1CN(c2nccn3nccc23)CCN1c1ccnc(C(F)(F)F)c1 2087142523 NOULSPRDUVQOJP-UHFFFAOYSA-N 362.315 1.996 0 40 FDAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3cccs3)CC2=O)c1 4497734 XVZLSPNCLHKLGI-NSHDSACASA-N 352.437 1.841 0 40 FDAB COCCNC(=O)c1cn(CCOC)cc2c(=O)n(-c3ccccc3)nc1-2 10062714 SBIFNNOFBITTAB-UHFFFAOYSA-N 370.409 1.161 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2cc(F)cc(F)c2)CC1 2055772161 CISOFXZUSFIWMF-UHFFFAOYSA-N 362.380 1.881 0 40 FDAB Cc1nnsc1C(=O)Nc1nn(C)c2c1[C@H](c1ccco1)CC(=O)N2 36705562 JXJXTVVEMZUSEN-QMMMGPOBSA-N 358.383 1.899 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@H](Oc2cccnn2)C1 225455879 MUAAACORQDROKP-KBPBESRZSA-N 352.460 1.104 0 40 FDAB CCOCCn1c(NCc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C 1863426 YIRHDZOUSDGRDS-UHFFFAOYSA-N 373.413 1.081 0 40 FDAB COc1cc(/C=N/NC(=O)c2c(O)n(C)c3ccccc3c2=O)ccc1O 6211757 FTRVATGQNJTPDI-KEBDBYFISA-N 367.361 1.722 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)NCCS(=O)(=O)Cc1ccccc1 40090073 IGQLPKPVZQKDFG-ZDUSSCGKSA-N 364.423 1.129 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116801 HBLLAXSHENCWTN-HNNXBMFYSA-N 357.332 1.997 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F 20715410 RLMXQPFRMFSLMF-VFZGTOFNSA-N 364.352 1.907 0 40 FDAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 32721635 NIHMTQDZEATWPF-UHFFFAOYSA-N 361.398 1.459 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 6260055 JXPHMYJZMLJQFB-LBPRGKRZSA-N 361.423 1.951 0 40 FDAB CN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 22143251 LHJQLURGRCULNZ-UHFFFAOYSA-N 355.153 1.240 0 40 FDAB COCCNC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 9651500 JYRMBELFTGCCCQ-UHFFFAOYSA-N 351.407 1.424 0 40 FDAB COc1cc(C(=O)NC(C)(C)CN2CCN(C)CC2)c2ccccc2n1 22916478 IJGSUUDNAGADHJ-UHFFFAOYSA-N 356.470 1.999 0 40 FDAB O=C(CNc1ccc(F)c(F)c1F)NN1C(=O)NC2(CCCCC2)C1=O 22907594 VTJWRMMVTPIKGH-UHFFFAOYSA-N 370.331 1.802 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccccc1 100748339 UHLFESIZBNNHMZ-QBXQWZBTSA-N 365.385 1.466 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(Cl)cc1 22934269 SZDJBMGCFALLNA-UHFFFAOYSA-N 350.850 1.175 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 69756488 JYHNPVRWDXLRFX-MRXNPFEDSA-N 360.435 1.995 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)NC[C@H](C(CC)CC)N1CCOCC1 58440494 QXYOAVOKAPYNGW-GOEBONIOSA-N 356.511 1.337 0 40 FDAB C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)c1nc(C(C)(C)C)no1 24048511 BVVWQHLDHDDKDX-SSDOTTSWSA-N 359.429 1.994 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3NS(C)(=O)=O)nc2n1 24890799 KNSQSTAKCRIOHT-UHFFFAOYSA-N 360.399 1.365 0 40 FDAB CC(C)(C)C(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O 1386888 MHXYMONCAOCCQU-UHFFFAOYSA-N 358.236 1.458 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccccc2F)c1 12526255 JJAWATJBYLEMDC-UHFFFAOYSA-N 374.415 1.582 0 40 FDAB CCCN1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 25562493 MORDHHJSKVGMNX-KRWDZBQOSA-N 350.459 1.665 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 26148090 AJIIDEANTDZNAX-UHFFFAOYSA-N 374.894 1.016 0 40 FDAB Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(O)cc4)C(=O)[C@@H]23)cc1 100355491 DSLIZGSJJQCKKF-YOEHRIQHSA-N 350.330 1.828 0 40 FDAB O=C(O)CCC(=O)SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2091240 DGVVVAKDZUPXEM-QWRGUYRKSA-N 366.464 1.677 0 40 FDAB biogenic CCc1[nH]c(C(=O)NCCC(=O)NCc2cccnc2)c(C)c1C(=O)OC 58177691 JEGOCCBGIZRAEV-UHFFFAOYSA-N 372.425 1.503 0 40 FDAB NC(=O)c1ccc(NCC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 76023265 HJUWXJDHHMLTML-UHFFFAOYSA-N 363.421 1.759 0 40 FDAB O=C(Cc1nc2ncccn2n1)NCc1ccnc(OCC(F)(F)F)c1 58227568 GEEPJIKSRKNOGO-UHFFFAOYSA-N 366.303 1.319 0 40 FDAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccccn2)c1 27937846 ADHZBBBYIHFGAP-UHFFFAOYSA-N 374.871 1.660 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)NCCc2ccccc2F)CC1 48019588 DDMJYCILMDCLHH-UHFFFAOYSA-N 371.478 1.872 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 36330090 JGNLMGOSRAOVNA-MFKMUULPSA-N 370.500 1.909 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccnc1 2399418 XRLKCNVYKWRSFA-UHFFFAOYSA-N 368.422 1.707 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCC1(N2CCOCC2)CCCCC1 48183437 HUDRSSYPXKEJKM-HNNXBMFYSA-N 363.458 1.549 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)N1CCN(c2ncccn2)CC1 45607892 IQEWECUHBDXXIR-UHFFFAOYSA-N 364.413 1.089 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 12756126 RSVIWQIILBYUJQ-UHFFFAOYSA-N 366.414 1.680 0 40 FDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)n1 48342308 RJWXGNNXPBOGLG-RDTXWAMCSA-N 367.457 1.723 0 40 FDAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 12863905 QFQRKJZECBTCLY-QGZVFWFLSA-N 357.385 1.537 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118915312 FFPUNPBUZDTHJI-MSCBHBOZSA-N 368.514 1.445 0 40 FDAB in-vitro CCCNC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3610508 MURNJBVVIUEXQN-OAHLLOKOSA-N 368.231 1.742 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)OCCCO3)CC1 13005694 TXCPQEFOQNLEJK-UHFFFAOYSA-N 368.455 1.392 0 40 FDAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@@H](C)C1 63396730 VZJKEHOQANXVAK-ZDUSSCGKSA-N 363.414 1.420 0 40 FDAB NC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 49545385 VPOAMNVYKULERB-UHFFFAOYSA-N 354.391 1.709 0 40 FDAB CCCCc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 14019456 JFVKRMZUVUXBMG-UHFFFAOYSA-N 373.409 1.049 0 40 FDAB COC(=O)[C@@H](C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 14187832 IEIDGIGKTINCRO-GFCCVEGCSA-N 351.362 1.677 0 40 FDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 6672689 SAVHMDWWOVRZFS-VXGBXAGGSA-N 354.453 1.553 0 40 FDAB C/C(NC[C@H]1CCCO1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5624595 RGCKYJOSEHCNTI-JFBXQDQPSA-N 363.801 1.965 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1sccc1C 6936837 PONXPBJWNMGUGD-LLVKDONJSA-N 361.423 1.458 0 40 FDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 7054458 JJGFEJCHANCEQL-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB CCOc1ccccc1OCCCC(=O)N[C@]1(C)CCS(=O)(=O)C1 7473162 PTINRKVCRIQCQC-QGZVFWFLSA-N 355.456 1.938 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1OCC 8054857 GZCNEBPJCRNEQI-UHFFFAOYSA-N 356.444 1.337 0 40 FDAB O=C(O)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8130220 SYJYBXACTBBAGV-UHFFFAOYSA-N 368.455 1.846 0 40 FDAB Cc1nc([C@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1 96000512 PWECJKMEMUEDBV-CYBMUJFWSA-N 357.819 1.935 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O 96305043 RACLPXXKTVVWAJ-OXJNMPFZSA-N 371.485 1.657 0 40 FDAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 9512700 FGAMGXJZUMHJCX-LLVKDONJSA-N 363.399 1.312 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NCc1ccc(F)cc1 72405861 FDGCPIRRSFWWLF-UHFFFAOYSA-N 371.416 1.369 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1 72400976 JOWVCUVYAOBIDD-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB COc1ccnc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(OC)ccn2)c1 84638226 YSWMBVVHSQJODJ-LBPRGKRZSA-N 358.398 1.384 0 40 FDAB O=C(c1cccc(Cl)n1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998823 LZGYXBAJOUSQBF-LBPRGKRZSA-N 373.862 1.002 0 40 FDAB O=C(NC1CCN([C@@H]2CCOC2=O)CC1)[C@@H]1C[C@@H]1c1c(F)cccc1F 89768098 NLXWFLOBSLTFIO-WOSRLPQWSA-N 364.392 1.964 0 40 FDAB Cc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)s1 306143660 YIFPJLJCLKUFFD-STQMWFEESA-N 357.483 1.845 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccco2)n1 513440273 SZVBQUFVWCKWMS-STQMWFEESA-N 362.409 1.552 0 40 FDAB CN1C[C@@]2(CCN(Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O 306137819 RHICGHOMQZGAFK-GOSISDBHSA-N 359.451 1.739 0 40 FDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccc(Cl)cc1 32647343 XXJKRZHXUORSLI-UHFFFAOYSA-N 372.768 1.855 0 40 FDAB COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)NC4=C3C(=O)OC4(C)C)cc2c1 72324530 HUHJNJLXBOTCTR-NSHDSACASA-N 354.362 1.730 0 40 FDAB biogenic COC(=O)[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 223035115 QOCIEFJSRGQIKQ-ZDUSSCGKSA-N 371.374 1.337 0 40 FDAB Cc1cccc(-c2nnc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)o2)c1 44358014 BCUNKHJBHUDYBP-GFCCVEGCSA-N 350.400 1.408 0 40 FDAB O=C(COc1ccc(Cl)cc1)NCc1nccc(N2CCOCC2)n1 224170207 SEQMYWUYHUQZQT-UHFFFAOYSA-N 362.817 1.662 0 40 FDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1 225500161 GUSUAGFOWSFXKD-CYBMUJFWSA-N 371.393 1.940 0 40 FDAB CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1 225962968 QYEOLJINBMYHTR-UHFFFAOYSA-N 353.488 1.206 0 40 FDAB CC[C@H]1c2ccsc2CCN1C(=O)CN1C(=O)N[C@@](C)(COC)C1=O 332277127 VWBZQFBYKBASCB-SJCJKPOMSA-N 365.455 1.541 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccsc2)C[C@@]2(CNC(=O)C2)C1 96035988 CTQUFVQIBDPYQO-QGZVFWFLSA-N 350.488 1.490 0 40 FDAB O=C(NCCCc1nnc2ccccn12)c1cc(F)ccc1-n1cnnn1 95480036 SRJLQNQJWTVKJR-UHFFFAOYSA-N 366.360 1.207 0 40 FDAB Cn1ncc2ccc(CNC(=O)c3cccnc3N3CCOCC3)cc21 580497407 FCWFFHRAIDWMKV-UHFFFAOYSA-N 351.410 1.735 0 40 FDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1cnccn1)CC2 96059554 SCTLOTXEVAYMLK-UHFFFAOYSA-N 363.425 1.356 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 96226959 LGNABBKKRBXVGH-IEBWSBKVSA-N 371.462 1.799 0 40 FDAB O=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96216776 NSHBPSRFEYJPRB-MRXNPFEDSA-N 353.426 1.836 0 40 FDAB O=C(N1CCCC1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061771 AAQHKUWTXHGCQP-GQIGUUNPSA-N 352.438 1.859 0 40 FDAB Cc1nc(CN2CCOC[C@@]3(CN(Cc4ccccn4)CCO3)C2)cs1 96049824 LLQGPHFZGQPSHP-IBGZPJMESA-N 374.510 1.950 0 40 FDAB CN(C)[C@H]1CCN(C(=O)[C@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 96147172 IUSKODJZYAYUPS-FXAWDEMLSA-N 367.497 1.682 0 40 FDAB CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)OC[C@@H](CO)O1 96531630 HQOVZMQXQFBBDM-NEPJUHHUSA-N 351.218 1.054 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 96232598 HOHKHOKVSTUSJO-AWEZNQCLSA-N 367.361 1.865 0 40 FDAB COc1cc(N2CC3(C[C@@H](CCOc4cnccn4)CCO3)C2)ncn1 247923103 YPAOPSJEEMXSFE-AWEZNQCLSA-N 357.414 1.730 0 40 FDAB Cc1cc(-c2nccnc2C[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH]n1 257264923 LWNUKROAFLPHQR-ZDUSSCGKSA-N 364.475 1.236 0 40 FDAB CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)n(C)n1 257291590 QHRDOIYHVIMBLP-KBAYOESNSA-N 358.442 1.714 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3cnn4cccnc34)C2)ncn1 257295028 QWQGECSMYDEOGK-CQSZACIVSA-N 352.398 1.159 0 40 FDAB CNc1nccnc1[C@@H]1CN(Cc2ccnc(N3CCCC3)n2)CCO1 257296759 REHFXOORZGKRSM-HNNXBMFYSA-N 355.446 1.482 0 40 FDAB C[C@H]1CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)C1O 661626628 KZCHHBJIBRICLR-GJZGRUSLSA-N 365.905 1.937 0 40 FDAB CC1(C)CC[C@H](CNC(=O)c2cc3n(n2)CC2(CCNCC2)OC3)NC1 1775961824 CHKXUTNTFWTSMD-CQSZACIVSA-N 361.490 1.044 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1CCCC2 96099218 VFFUQSKABXTCQL-UHFFFAOYSA-N 358.442 1.642 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccsc1 575402632 DGMOSJSQAIUUFU-AWEZNQCLSA-N 372.512 1.697 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccc(C)s1)C2 585102853 KSZKHJIUNAGEKH-CQSZACIVSA-N 358.529 1.977 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)CC1CCCC1 585096682 AFMBILNNZGDLSH-AWEZNQCLSA-N 354.476 1.114 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OC[C@@H]3CCCCN32)cc1 58160532 VIEJIVVLDKMNMZ-HOTGVXAUSA-N 360.410 1.972 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549162081 NGBWJHFFSGMAMN-HNNXBMFYSA-N 373.384 1.093 0 40 FDAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)C(C)C)CC4)ncnc32)cc1 11665776 YHHDCMIMMKWVIW-UHFFFAOYSA-N 365.441 1.824 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 12187261 BVTJGEPFADOQQK-GDBMZVCRSA-N 369.465 1.968 0 40 FDAB O=C(NCCCN1CCCC1=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12409828 NNNKCJGIQHBUEI-UHFFFAOYSA-N 353.382 1.960 0 40 FDAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13582100 SCAVTHDDYKWPCB-UHFFFAOYSA-N 365.798 1.979 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14137137 QWWDYDQCDFUXNF-ZDUSSCGKSA-N 373.434 1.757 0 40 FDAB CC(C)Cn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)n(C)c1=O 16442530 FYTZDGSDVFBYNG-UHFFFAOYSA-N 370.453 1.421 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC[C@@H]1C 19524129 ZQFXNWUDXRYDJH-AWEZNQCLSA-N 370.519 1.960 0 40 FDAB CN1CCC(c2nnc3n2CCN(C(=O)COc2ccccc2F)C3)CC1 19711285 PWUDVQLVBYHZRT-UHFFFAOYSA-N 373.432 1.648 0 40 FDAB Cc1ncnc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c1F 1776009349 FNYCEDSAHHYHTF-OAHLLOKOSA-N 356.401 1.824 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Br)c1 4173556 FNUWEPYQFFFCTK-MCYUEQNJSA-N 350.168 1.254 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 17201007 MBSVKONXWXRQFU-UHFFFAOYSA-N 370.796 1.509 0 40 FDAB COc1cc(C(=O)N2CC[C@H](C(=O)N(C)C)c3nc(C)sc3C2)on1 2055729951 IAWFNHYHZROQRP-JTQLQIEISA-N 364.427 1.666 0 40 FDAB COc1cccc(CNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c1 40040274 LOEUPVJTKYZJHV-OAHLLOKOSA-N 357.332 1.885 0 40 FDAB O=C(CN1CCOCC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 20366463 IZQDTPBULZKVKM-MGPUTAFESA-N 354.406 1.996 0 40 FDAB Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1 806186 QITASFUUUFUYKB-UHFFFAOYSA-N 368.440 1.120 0 40 FDAB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccccc12 1610320 YOEMWLPRWFIQCU-MRXNPFEDSA-N 352.346 1.868 0 40 FDAB CC(C)Oc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 2667990 GHCMMBAHVMTGNP-CWQOZTLDSA-N 368.426 1.589 0 40 FDAB biogenic COc1cc(COC[C@@H](O)CN2CCSCC2)cc(OC)c1OC 2692784 BRIRCNDSKQFIDU-AWEZNQCLSA-N 357.472 1.639 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Br)cc3)cnc21 2694102 MMCDWJIPMNVGKG-UHFFFAOYSA-N 362.187 1.531 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4545577 KTPAOCHQVWUUSJ-GSHBDLQKSA-N 373.380 1.971 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583353 FHCDGFKAQRFLPO-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 6324927 HDXQZZCJOIWHTE-LBPRGKRZSA-N 358.460 1.775 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 32826216 VXWZPOHALWDPQG-CQSZACIVSA-N 353.375 1.328 0 40 FDAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 53281431 XKXCHIXCQMSXIT-LBPRGKRZSA-N 373.858 1.689 0 40 FDAB CC(C)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851648 IGRNQSGRQJRMGW-UHFFFAOYSA-N 365.441 1.574 0 40 FDAB CCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22782894 PWBGBXHVZIYDEB-UHFFFAOYSA-N 366.893 1.812 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)ccc1=O 23100969 CJLQJOZBIIARSI-INIZCTEOSA-N 373.409 1.700 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)C2CC2)CC1 24781070 DLTOWKXNDLUVSX-UHFFFAOYSA-N 370.405 1.474 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24030086 RPOFNHQZATXZNG-LBPRGKRZSA-N 367.471 1.946 0 40 FDAB O=C(CCc1ccco1)NCCNS(=O)(=O)c1cccc(Cl)c1 25134321 DRRPAUAVFCJNAF-UHFFFAOYSA-N 356.831 1.960 0 40 FDAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)c4snnc4C)C3)cc2n1 100137875 KDXCWRYMIQRABV-NSHDSACASA-N 358.427 1.923 0 40 FDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 55992853 RSUXJCSWEPGGMA-UFBFGSQYSA-N 373.240 1.980 0 40 FDAB CN(c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 22230450 HGPZYZYQELYOFE-UHFFFAOYSA-N 362.451 1.820 0 40 FDAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CCCN2CCOC2=O)C1=O 58366910 VZFHMKPNDBWCEL-INIZCTEOSA-N 353.325 1.574 0 40 FDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1 36357183 ODESBZXVVOOACP-CABZTGNLSA-N 359.835 1.153 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCC(C(=O)OC)CC2)sc(C)c1C 3398185 ATWHQCJJEMGNMW-UHFFFAOYSA-N 368.455 1.975 0 40 FDAB CC(C)N(CC(N)=O)CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12799881 ZHXARYYITFPIRB-UHFFFAOYSA-N 372.347 1.186 0 40 FDAB COC(=O)[C@H]1CCCCN1C(=O)Cc1cc(OC)c(OC)c(OC)c1 12768288 FCRPQDJQLAATHR-CYBMUJFWSA-N 351.399 1.809 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 48374415 BNAPPDLXEPSHFH-KRWDZBQOSA-N 367.453 1.608 0 40 FDAB COC(=O)c1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)ccc1OC 12800658 GWASZHWMARBJAX-UHFFFAOYSA-N 370.361 1.743 0 40 FDAB COCCn1c(S[C@@H](C)C(N)=O)nc2sc3c(c2c1=O)CCCC3 3457022 IMGUBVJCCJREQV-VIFPVBQESA-N 367.496 1.949 0 40 FDAB O=C(NCC(=O)N1CCCCC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 63093549 LJVXLJGYKQTQFQ-KRWDZBQOSA-N 357.454 1.349 0 40 FDAB Cn1ccnc1COc1ccc(CNCCc2nnc3n2CCC3)cc1 65475459 AEAKGLAXYISFPR-UHFFFAOYSA-N 352.442 1.869 0 40 FDAB Cn1c(=O)c2c(ncn2CCCC(=O)NC2CCCCCC2)n(C)c1=O 6657798 DYBMWPRLALJNMG-UHFFFAOYSA-N 361.446 1.053 0 40 FDAB CCOc1ccc(/C=C/C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 4749868 HMNIEJUFSPGWND-FSNWXROXSA-N 367.467 1.761 0 40 FDAB CCOC(=O)c1cc(OCC(=O)N[C@@H](C)COC)cc(C(=O)OCC)c1 8752341 CBAJXCLZDYMZNL-LBPRGKRZSA-N 367.398 1.570 0 40 FDAB CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc2c(c1)CCCC2 7307090 WLDRIWNHFATHDP-UHFFFAOYSA-N 352.456 1.045 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCCc3cc(C)ccc32)c(=O)[nH]c1=O 7494297 ZTWXVXRTDRHLPH-UHFFFAOYSA-N 356.426 1.473 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 7777327 GWLCAOCCFJKNDZ-UHFFFAOYSA-N 353.444 1.266 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96116451 GKAFSDCRZWLIML-CJNGLKHVSA-N 358.442 1.118 0 40 FDAB biogenic Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@@H]1C(N)=O 9365583 OFLZDOUGXFFCID-MRXNPFEDSA-N 355.442 1.767 0 40 FDAB CCCn1nc(C(=O)O[C@H](C)C(=O)N2CCCC2)c2ccccc2c1=O 9453834 ZRFXPFRRTGAUPU-CYBMUJFWSA-N 357.410 1.974 0 40 FDAB O=c1[nH]c(CSc2nnnn2C[C@@H]2CCCO2)nc2ccsc12 9548621 CRORZODVSSUPBT-QMMMGPOBSA-N 350.429 1.442 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)cc2C1 67318940 ZGERUESLDAERBP-UHFFFAOYSA-N 374.372 1.536 0 40 FDAB COc1ccc(Cl)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OCC(C)C 409003059 RCEHIKMWLQWMCY-LBPRGKRZSA-N 371.821 1.913 0 40 FDAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408621687 LWMTZJBGOSGPKA-AWEZNQCLSA-N 372.487 1.603 0 40 FDAB COCCNC(=O)CN1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348243 ZZWJKRSFKQJYHX-UHFFFAOYSA-N 356.426 1.014 0 40 FDAB CCOc1ccc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OCC 39994144 HYLPETRWEVAXMF-CQSZACIVSA-N 355.456 1.577 0 40 FDAB O=C(O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NCCO)c1 217457648 KNOJPOVYBZKJQL-UHFFFAOYSA-N 368.455 1.958 0 40 FDAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCc2nc[nH]c2C1 1565524142 BLPOQGWDZZILEH-NSHDSACASA-N 350.382 1.224 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc4CO3)cc21 225787182 YTRJLROIRINPFP-CQSZACIVSA-N 374.418 1.551 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCOCc1ccccc1 223841765 JMBQDWMPUPFVHV-UHFFFAOYSA-N 374.418 1.164 0 40 FDAB COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 44023115 YWPWGSGVWAPAEL-KMPOOHAWSA-N 360.410 1.923 0 40 FDAB Cc1cc(-c2noc(CNC(=O)c3cnn(-c4ccccc4)n3)n2)no1 225811386 NZOSBNSDIZMTIP-UHFFFAOYSA-N 351.326 1.544 0 40 FDAB CCNC(=O)C1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 40087867 WSHPEEFYBMRBGB-UHFFFAOYSA-N 358.442 1.198 0 40 FDAB COC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1 40158395 XBZWXNNHAPDUHL-UHFFFAOYSA-N 363.395 1.442 0 40 FDAB CN(C)CCNC(=O)c1cc(-c2cnc(-c3ccnn3C)nc2)cn1C 96266363 CCUWSBZEBQHWKM-UHFFFAOYSA-N 353.430 1.174 0 40 FDAB Cc1cnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 96237937 QJPXWSIBLVQPFT-IBGZPJMESA-N 355.417 1.852 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@H](C2)N(C=O)CC[C@@]314 96316343 GKBIDJHSEALBDH-AYDVLDGXSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro CN1C(=O)C(=O)N(CC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)C1=O 578717135 BNOPWHFPSKZYHX-UHFFFAOYSA-N 367.764 1.204 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3[C@@H](COCC3CCOCC3)C2)cn1 96044975 CEPQGUGLKGIHDN-QGZVFWFLSA-N 359.474 1.696 0 40 FDAB CO[C@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96218665 YPLCJLOUCKKRPM-JQHSSLGASA-N 353.426 1.233 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1 247291102 AYXUHYHKTQHLAQ-CQSZACIVSA-N 366.512 1.973 0 40 FDAB COc1c2c(c(CNC(=O)c3ccccc3)c3c1C(=O)N(C)CC3)OCO2 524729170 GXOZYNAMEBMGJL-UHFFFAOYSA-N 368.389 1.982 0 40 FDAB biogenic COCCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1OC 257260358 LCNPPYYPENRDIB-QAPCUYQASA-N 364.442 1.336 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3ccn(C)n3)C2)cc1 257323756 WLSCPCREMARASS-IBGZPJMESA-N 358.442 1.138 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3ccccn3)C2)cc(C(=O)N(C)C)n1 257203013 AOHMTDLEVMVROP-OAHLLOKOSA-N 367.453 1.977 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 41673546 GZGKRIACSRHMJA-NSHDSACASA-N 362.854 1.809 0 40 FDAB Cn1cc(C(=O)N2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cn1 257292758 QMVHNXYMDSZUKL-ICSRJNTNSA-N 354.454 1.662 0 40 FDAB CCc1nccn1CCC(=O)N1CCOC[C@H]1c1nc(C)cc(NC)n1 257327948 XDMOSNWPOLERDK-AWEZNQCLSA-N 358.446 1.576 0 40 FDAB Cc1cccc(C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 257216773 CVZULHYQIUCOAD-AWEZNQCLSA-N 358.442 1.502 0 40 FDAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3cnn(C)c3)CC2)n1C 257270989 MWKPPDQGYUTVBB-UHFFFAOYSA-N 365.441 1.939 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1F 257282843 OVNTUJDRMSBLBE-QAPCUYQASA-N 365.449 1.430 0 40 FDAB Cn1cc(N2[C@H](C(=O)N3CCc4cccc(F)c43)CC[C@@H]2C(=O)O)cn1 630674208 YTEPPLPEJUNMPT-LSDHHAIUSA-N 358.373 1.571 0 40 FDAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CCCS(=O)(=O)C3)[nH]nc21 651348601 YGTDXRHDBQHCEH-LBPRGKRZSA-N 373.438 1.727 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CN1 657210179 CQWPZKVBBDZZPB-BBRMVZONSA-N 356.426 1.722 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CC[C@H](Nc4ncccn4)C3)[nH]2)CC1 685942539 SJHIXLXKRKUMOQ-AWEZNQCLSA-N 355.446 1.336 0 40 FDAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 96024350 XQSPGQQTCJRSQC-UHFFFAOYSA-N 372.497 1.621 0 40 FDAB CO[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 96388217 BOAFSTWFGCTSCS-HNNXBMFYSA-N 358.435 1.301 0 40 FDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)c1ccc(N2CCCC2=O)cc1 655601012 CSALDYBEYPCAFY-MRXNPFEDSA-N 353.378 1.634 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1Nc1nccs1 585293163 YNLZUWJGCZQPQN-DIECRNLCSA-N 358.471 2.458 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@@H](C)N(C(=O)C2CCC2)CC3)cn1 585096228 BRJJWBYOUOKPGQ-CYBMUJFWSA-N 368.441 1.615 0 40 FDAB CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O 585292245 ZJZRRRFKLFWJHG-UNEWFSDZSA-N 351.834 1.530 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@H](O)C2)C3)c1 585104881 VUMHVHUNBSNWON-DLBZAZTESA-N 374.481 1.779 0 40 FDAB Cc1cc(CC(=O)N2CCO[C@](CO)(Cc3ccc(F)cc3)C2)ccn1 585275946 BGRJDTQIYQZVMX-HXUWFJFHSA-N 358.413 1.904 0 40 FDAB Cn1nccc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)NCc3cccs3)O[C@@H]2C1 585109423 OLIDSMBLEHTXTL-HEHGZKQESA-N 374.466 1.418 0 40 FDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCC1CCOCC1 585095151 GAJPPVJTMBCARE-KRWDZBQOSA-N 360.458 1.499 0 40 FDAB C[C@@H]1CCc2[nH]c3c(C(=O)OCC(=O)N4CCNC(=O)C4)cccc3c2C1 58720941 FHDUKKMEYQKFNY-GFCCVEGCSA-N 369.421 1.408 0 40 FDAB COc1ccc(OC)c2sc(N3CCC[C@@H](NS(C)(=O)=O)C3)nc12 872408864 MFNSRSYFGDTZPD-SNVBAGLBSA-N 371.484 1.832 0 40 FDAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@H]3CN4CCC3CC4)ccc21 12220624 QVZLNXWJOSFEHK-AWEZNQCLSA-N 365.455 1.548 0 40 FDAB COCc1ccc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1 12235014 CTZQGNWHENTTJA-UHFFFAOYSA-N 368.437 1.658 0 40 FDAB O=C(CN1C(=O)COc2ccc(F)cc21)NCc1ccc2c(c1)OCO2 15019907 AMTGFYIUQSKTKL-UHFFFAOYSA-N 358.325 1.596 0 40 FDAB NC(=O)C1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1 19403747 ZLEWMMGWGZGSFL-OAHLLOKOSA-N 354.414 1.487 0 40 FDAB CCCn1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 19654845 LHVZIFAVKICJOR-GFCCVEGCSA-N 371.397 1.451 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@@H]1CCOc2ccccc21 19665990 CNKLUFZENACTEJ-CQSZACIVSA-N 353.382 1.299 0 40 FDAB COCC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(C)=O)c2)CC1 19698101 SZJYBKPUGVEFQC-SFHVURJKSA-N 360.458 1.368 0 40 FDAB Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)n1 19716887 HTXKRNHUPCLYBX-CQSZACIVSA-N 364.471 1.628 0 40 FDAB CC(C)N1C[C@H](C(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)CC1=O 12220181 SPQSFKAVCPDIMK-HUUCEWRRSA-N 369.469 1.931 0 40 FDAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cc1 659203860 KGMLFOMFOFNVLS-UHFFFAOYSA-N 365.411 1.749 0 40 FDAB CC(C)N1CC[C@H](N2CCN(c3cc(C4CCOCC4)ncn3)CC2)C1=O 1888834002 HEEGQEPKYHJGHD-SFHVURJKSA-N 373.501 1.502 0 40 FDAB Cc1nc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)nc(O)c1F 1888853895 RSRFJFGOOSSBHJ-AWEZNQCLSA-N 372.400 1.530 0 40 FDAB Cc1ncnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1C 1889085224 JVHJASSXYFMRKZ-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB Cc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889110057 VKLSRRYXVUKEAQ-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238951596 XATVNVHTNOIISI-ZIAGYGMSSA-N 365.389 1.532 0 40 FDAB Cn1cccc(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)c1=O 1565547231 GWOPECBBWAJTMC-HXUWFJFHSA-N 366.421 1.440 0 40 FDAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)[C@@]1(C)CC=CCC1)CC2 1565556003 TUFBVLVYXRCDNU-LIRRHRJNSA-N 360.458 1.437 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1 10367684 TYOHYHFCLLTGAN-UHFFFAOYSA-N 358.789 1.400 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)OCc4ccccc4)CC3)ncnc21 13533588 SFJFKLBUBZUDEJ-UHFFFAOYSA-N 367.413 1.700 0 40 FDAB Cc1cncc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772248 NANLTVGURBTULB-UHFFFAOYSA-N 353.426 1.450 0 40 FDAB O=C(NC1CCCCC1)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713389 INQJSTMRXMBBSF-AWEZNQCLSA-N 360.458 1.367 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2scnc2C)CC1 2055704339 OLOZHSGUPUSOBX-UHFFFAOYSA-N 363.487 1.402 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)N2CCOCC2)cc1 23106898 CTURLSABGXJFEZ-MRXNPFEDSA-N 372.425 1.420 0 40 FDAB Cc1cnn(CCN2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 2086887080 YZOWPVCSGKPNQX-UHFFFAOYSA-N 352.446 1.298 0 40 FDAB COc1ccc(OC)c2sc(NC(=O)CN(C)S(C)(=O)=O)nc12 36695473 AHYKGVGAJDHVQS-UHFFFAOYSA-N 359.429 1.143 0 40 FDAB O=C(NCCCn1nc(-c2ccccc2)ccc1=O)c1ccc(O)nn1 38488116 DQZPDXAJKCXDJR-UHFFFAOYSA-N 351.366 1.226 0 40 FDAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1[C@H]1CCS(=O)(=O)C1 6345171 PICKYUFUJNEXMX-ZUZCIYMTSA-N 359.407 1.044 0 40 FDAB biogenic Cc1ccc(OCc2nc(C)c(C(=O)N(CCO)CCO)s2)cc1 20428418 YDUBCPMCXHUZLK-UHFFFAOYSA-N 350.440 1.766 0 40 FDAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1-c1ccc(F)cc1 100923320 XICFALZEYQGSPP-INIZCTEOSA-N 353.353 1.606 0 40 FDAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)o1 20567531 WWZKJQXWKHOWTA-HXUWFJFHSA-N 370.405 1.685 0 40 FDAB COC(=O)/C=C/c1ccc(OC(=O)CN2CSCC2=O)c(OC)c1 29623903 IRWLVKYKMGSMFV-GQCTYLIASA-N 351.380 1.320 0 40 FDAB CC(C)c1cccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c1 32755061 IADWDVQXAHMNPV-INIZCTEOSA-N 357.454 1.887 0 40 FDAB CCN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(C)c1 32885619 IBMKAZJAJIPUFG-UHFFFAOYSA-N 367.515 1.609 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1F)C1=NS(=O)(=O)c2ccccc21 8076636 MKCLSUJGHFECLG-UHFFFAOYSA-N 365.361 1.984 0 40 FDAB COCCNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101617637 FUGLLKVEFNMKAT-OKILXGFUSA-N 359.426 1.259 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)no1 2792938 JOSMACVCUVXOAU-UHFFFAOYSA-N 357.322 1.432 0 40 FDAB C/C(Cl)=C/Cn1c(NCCCOC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12232461 UJHXUOTUOCYDCY-WDZFZDKYSA-N 369.853 1.793 0 40 FDAB O=C1c2ccccc2C(=O)N1c1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 12377224 UZNZQPZHXRJMAL-VXGBXAGGSA-N 366.333 1.550 0 40 FDAB CCCNC(=O)CN(CCC)C(=O)CCn1ncc(=O)c2ccccc21 54327838 HJEMVOMNNTXCSY-UHFFFAOYSA-N 358.442 1.551 0 40 FDAB O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC=CCC1 24008669 UUWVHSZREYAZNE-CQSZACIVSA-N 351.424 1.969 0 40 FDAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 107885886 ZULZCQMNUHCSSG-UHFFFAOYSA-N 352.456 1.942 0 40 FDAB C[C@H]1CN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)C[C@@H](C)O1 44413384 SSAVPDJESSLVPU-BETUJISGSA-N 367.881 1.569 0 40 FDAB CCNC(=O)C1(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CCCCC1 58201784 ILGJAEGPDMLRIH-OAHLLOKOSA-N 359.474 1.648 0 40 FDAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)OCN1C(=O)c2ccccc2C1=O 2471446 XYVKLPHQEACESA-WFASDCNBSA-N 373.409 1.804 0 40 FDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)c1ccccc1 11460050 DOQSGWWJZIXRGM-UHFFFAOYSA-N 350.330 1.642 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)Nc3c4c(nn3C)CCC4)cnc12 48302775 GCQUYHYFRUTNPJ-UHFFFAOYSA-N 351.410 1.956 0 40 FDAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 13057110 CFRJJZNGRKDDOW-OKILXGFUSA-N 353.488 1.853 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1 13095727 FDKYNAGTDWBLER-UHFFFAOYSA-N 362.407 1.296 0 40 FDAB CC(C)OCCCNC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 3894662 KHOZWEHANUACAF-MRXNPFEDSA-N 354.472 1.304 0 40 FDAB Cc1nn(C)c(C)c1CN1CCN(C(=S)NC[C@H]2CCCO2)CC1 13769239 XPZDTGOHTVNKEP-OAHLLOKOSA-N 351.520 1.208 0 40 FDAB CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 6178651 GOPBDURYACTEHT-GFCCVEGCSA-N 366.468 1.209 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)c1 14142273 KLXIKEFAGBSTIV-UHFFFAOYSA-N 365.499 1.360 0 40 FDAB Nc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 4507780 XAIDZQKTAAZESB-UHFFFAOYSA-N 351.457 1.688 0 40 FDAB Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2[nH]c1=O 5409174 IZBBHVYVPHNZQU-UHFFFAOYSA-N 362.345 1.636 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 4614381 GANIDLORJPEXFW-UHFFFAOYSA-N 365.436 1.226 0 40 FDAB COc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 4682046 SCGHBBKAYUHVCZ-UHFFFAOYSA-N 358.460 1.393 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COCc2ccccc2)C1 6733566 RNQFBQHVXRAHLH-OTWHNJEPSA-N 354.450 1.845 0 40 FDAB biogenic CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2O1 7252867 VEQWFQQGYZALNP-MRXNPFEDSA-N 361.348 1.917 0 40 FDAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCCCO 409173172 LRHTVFDPGKPXIA-MDZDMXLPSA-N 364.423 1.270 0 40 FDAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 71279450 VEPVARCWQVAIKZ-NWDGAFQWSA-N 363.443 1.717 0 40 FDAB Cc1ccsc1CN(C)C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 7774476 NGPQZSAPKYGRNN-UHFFFAOYSA-N 351.428 1.462 0 40 FDAB CC(=O)c1cccc(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 21841457 DXKQNYXSTRDUQV-UHFFFAOYSA-N 358.398 1.587 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 83882459 LTMBSLWHWNXQTF-OAHLLOKOSA-N 368.842 1.712 0 40 FDAB CC(C)N1CCC(O)(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 84597471 OODDYBCEVVPMIB-OAHLLOKOSA-N 353.507 1.423 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)o1 95464006 RKWDQADLCVIVIG-NSHDSACASA-N 355.343 1.248 0 40 FDAB CCc1nnc(O)c(C(=O)NCCC(=O)Nc2ccc(C)cn2)c1CC 79097065 YFYQRRMKWOZXNX-UHFFFAOYSA-N 357.414 1.769 0 40 FDAB O=C(c1cccc(OCC(F)F)n1)N1CCC[C@@H](Cn2ccnn2)C1 89867069 BLPPWRDIUTYNQR-GFCCVEGCSA-N 351.357 1.869 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC1CCCCCCC1 72402164 VCVYNUILHBQZOT-UHFFFAOYSA-N 374.489 1.537 0 40 FDAB CC(=O)c1ccc(N2C(=O)N(CC(N)=O)c3ccccc3S2(=O)=O)cc1 6918447 IEBUSFYWWWNANA-UHFFFAOYSA-N 373.390 1.510 0 40 FDAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(N2CCOCC2)nc1 32883644 VJMRXWWEOLBDGV-UHFFFAOYSA-N 368.437 1.606 0 40 FDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 72339191 ACPWIGYAPDYPMR-CJOHGPIESA-N 374.437 1.713 0 40 FDAB C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NCCCO 226754728 GSSVKMNDCILSJF-VIFPVBQESA-N 356.220 1.602 0 40 FDAB Cc1cc(NC(=O)N2CCC(n3cnnc3O)CC2)nn1[C@@H](C)C1CC1 573390741 MBNPLHLOYRNQMW-LBPRGKRZSA-N 359.434 2.329 0 40 FDAB Cc1cc(N2CCC[C@@H](NC(=O)Cc3nn(C)c4ccccc34)C2)n(C)n1 581423006 UDHGRODRXCVIJS-OAHLLOKOSA-N 366.469 1.943 0 40 FDAB O=C(O)[C@H](CNC(=O)[C@@H]1CCCO1)Oc1ccc(Br)cc1 576946315 LQLTZLGHFLEQMY-RYUDHWBXSA-N 358.188 1.576 0 40 FDAB CN1CCN(C(=O)NCc2nccc(C(F)F)n2)C[C@@H]1c1nccn1C 582412469 RCHCBGLRNIJCDF-GFCCVEGCSA-N 365.388 1.346 0 40 FDAB CO[C@@H]1CCN(C(=O)CN(C)C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 96218211 LDTLJQRBCCULOR-ARFHVFGLSA-N 352.504 1.061 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)[nH]n1 96223456 YKUFMMUQOQVQOD-KBXCAEBGSA-N 356.430 1.408 0 40 FDAB CCS(=O)(=O)N1CCC(c2ccnc3c(CN(C)C)cnn23)CC1 257295911 RAKGORCSHCCPLB-UHFFFAOYSA-N 351.476 1.320 0 40 FDAB COc1ccccc1N/C=c1\sc2nc(-c3ccncc3)nn2c1=O 256055383 FAVGUEQQDIFKIJ-UVTDQMKNSA-N 351.391 1.791 0 40 FDAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)cn1 253601566 UBSDLBGIIUJRJX-HNNXBMFYSA-N 353.426 1.913 0 40 FDAB COc1ccc(CC(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cc1 257200636 AEEIYISLTIKREO-KRWDZBQOSA-N 357.410 1.594 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 260619443 LWBDVOUBICJKFU-CYBMUJFWSA-N 360.435 1.951 0 40 FDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc2c(c1)CCCC2 647928284 IVEIGBRNXINTBM-QGZVFWFLSA-N 360.435 1.935 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CCN2C1=O 674539933 AMQXEBGILZKDTL-MRXNPFEDSA-N 355.438 1.830 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCCN(C)C)CCSCC2)o1 1776111575 FYCZPBINDAWYBX-UHFFFAOYSA-N 368.499 1.877 0 40 FDAB CCS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1 647703629 XNZLUEPAOMOJRH-GXTWGEPZSA-N 354.428 1.996 0 40 FDAB O=C(Cc1nsc2ccccc12)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 573713172 KMVFEFZNQDYBOO-UVBSCNOISA-N 359.451 1.781 0 40 FDAB Cn1cncc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@@H]12 1549162408 PWSKFOHPNXZFEQ-GOSISDBHSA-N 367.453 1.311 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 12142576 AZZZRODOKPTVAN-WMLDXEAASA-N 368.441 1.188 0 40 FDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cccnc3)CC1)O2 12227018 YKTATKQZWQLKHA-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC 12239758 HOYRERXXSQWLOX-CQSZACIVSA-N 350.463 1.725 0 40 FDAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12872241 GODXLZNGTDSLHN-SECBINFHSA-N 360.819 1.327 0 40 FDAB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cnccn4)CC3)C2=O)cc1 12983543 KKEKUYZCENPYRU-INIZCTEOSA-N 351.410 1.239 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O 16915546 DMTVBRMQTDGCEA-UHFFFAOYSA-N 351.790 1.262 0 40 FDAB CCOc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)o1 19519884 DITNMGMONHZQMN-CQSZACIVSA-N 372.425 1.940 0 40 FDAB CCc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)no1 19523169 CLCJRRQMWWQHQN-NSHDSACASA-N 374.397 1.319 0 40 FDAB N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 16900002 WEKRWNXUMVTXMR-IONNQARKSA-N 363.222 1.770 0 40 FDAB Cn1c(N2C[C@@H]3CN(C(=O)Cn4cccn4)C[C@H]3C2)nc2ccccc21 1888890221 LAIFFSUAHHJVRF-GJZGRUSLSA-N 350.426 1.365 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@@H]4C3)ncnc21 1888903919 ZKYOJDDRWXZNGR-STQMWFEESA-N 367.388 1.106 0 40 FDAB O=C(Cn1ncccc1=O)N1CCC(Oc2cccc3cccnc23)CC1 238933245 VGMBFVXPMWZUTB-UHFFFAOYSA-N 364.405 1.862 0 40 FDAB Cn1ccnc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037841096 WAZJMZYHHPSNKG-UHFFFAOYSA-N 354.410 1.458 0 40 FDAB CCn1ncc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c1C 2037985438 JVPRYGASELQGRM-IBGZPJMESA-N 362.474 1.844 0 40 FDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(Cc3cccc(C)n3)[C@H]2C1 2056223409 KCJLARIGYVHEGP-ROUUACIJSA-N 355.442 1.332 0 40 FDAB COc1cc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc(OC)c1 4033804 CRDLQQBAGSPTBG-UHFFFAOYSA-N 367.361 1.795 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 5250987 WVGMQGIUTSRJKI-UHFFFAOYSA-N 356.334 1.441 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 10330969 XFQKSZPQTHQUQD-ZDUSSCGKSA-N 359.382 1.408 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)C(C)(C)C)CC2)[nH]1 2055746011 ZVNVTUCCSADOFA-UHFFFAOYSA-N 361.490 1.284 0 40 FDAB CN1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 22714530 LLFNTHNLFWKGTN-UHFFFAOYSA-N 351.410 1.063 0 40 FDAB CN(C)c1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2086884508 CLXASPCDKSHZBK-LBPRGKRZSA-N 355.389 1.006 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 17306770 ZDPUCXMEAZGEFY-UHFFFAOYSA-N 370.475 1.225 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)CC2)cc1 40157130 BBHJCCCEHBEXTD-IBGZPJMESA-N 373.497 1.986 0 40 FDAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2Cc2ccco2)c2ccccc21 20673476 LPFSLCKDKAOITB-NRFANRHFSA-N 359.385 1.868 0 40 FDAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21 101435229 YQZNDRWVTQUCPO-INIZCTEOSA-N 352.394 1.312 0 40 FDAB O=C(CCn1cncn1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 21208758 FKKAIFVPOXSMOA-HNNXBMFYSA-N 358.402 1.607 0 40 FDAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(CC(F)(F)F)C1=O 32777541 DIAIAFNLVJGYSV-UHFFFAOYSA-N 371.315 1.849 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@H](C)O1 21526042 ROTFGMUSMABANP-KBPBESRZSA-N 372.469 1.551 0 40 FDAB OC[C@@H]1O[C@H](n2c(SCc3ccccc3)nc3ccccc32)[C@@H](O)[C@@H]1O 4824724 LARSJCJUSJIUAU-MHORFTMASA-N 372.446 1.940 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11906003 CRAKMGMEYYFARZ-UHFFFAOYSA-N 360.457 1.092 0 40 FDAB CCOC(=O)N1CCC(C(=O)NCc2cccnc2-n2ccnc2)CC1 29918712 LVHLDCMWUADQFR-UHFFFAOYSA-N 357.414 1.752 0 40 FDAB Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)c1 8254387 NSMFWXYIQSSGPV-VHSSKADRSA-N 366.469 1.516 0 40 FDAB biogenic,in-vitro COC(=O)CNc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 22250709 JKCBNPCRQPAGLI-UHFFFAOYSA-N 356.444 1.845 0 40 FDAB Cc1ccc(C(=O)N2CCN(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)s1 103625859 YOGWOPZZKNIGGJ-GASCZTMLSA-N 373.478 1.723 0 40 FDAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCCCN2CCCC2=O)cc1 22626366 LDQHONGRESVYHY-UHFFFAOYSA-N 359.470 1.843 0 40 FDAB C[S@@](=O)c1nncn1Cc1cc2c(cc1Br)OCCO2 103922264 KWRAMFOIWDHYCE-FQEVSTJZSA-N 358.217 1.598 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 23700425 GTZDHPKNXUYVJT-KBPBESRZSA-N 359.426 1.635 0 40 FDAB CCN1C(=O)C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 24002223 GMUMYEOVVNRRKL-UHFFFAOYSA-N 350.806 1.230 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)NCC(F)(F)F 24902244 OQQNUVSRCSVQNE-SNVBAGLBSA-N 374.388 1.973 0 40 FDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20006653 OHRJTGXYEFJPDU-OAHLLOKOSA-N 362.451 1.639 0 40 FDAB COCCN(CCOC)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C 47653595 UQSDIBOONKPHDR-QGZVFWFLSA-N 350.459 1.871 0 40 FDAB CCCC(=O)N1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccco2)CC1 56328106 LTCDRNWIOYKMQN-HNNXBMFYSA-N 361.442 1.792 0 40 FDAB O=C(c1cccnc1)N1CC[C@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745124 JLFZUEYJXKEHOP-ZDUSSCGKSA-N 363.377 1.975 0 40 FDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C)C)CC1 58081804 ASFAESXJHXQNNT-KRWDZBQOSA-N 360.437 1.457 0 40 FDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccccc1 10049409 ISJGPHQODWVJNZ-UHFFFAOYSA-N 366.425 1.795 0 40 FDAB O=C1NCCCC[C@H]1Sc1nnc(N2CCOCC2)n1-c1ccccc1 10376862 XMAKXNXVBFTABY-OAHLLOKOSA-N 373.482 1.865 0 40 FDAB COC(=O)N(C)CC(=O)NCCCc1nnc(SC)n1C1CCCC1 58354826 KUFHHIJZXXDXHI-UHFFFAOYSA-N 369.491 1.862 0 40 FDAB CCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 10534226 YWODYYZLTJANAW-UHFFFAOYSA-N 369.439 1.812 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc(Br)o1 12600228 SUTHMZLGDIYTJF-UHFFFAOYSA-N 374.235 1.145 0 40 FDAB CCCN1CCc2c(sc3c2c(NCCCN(C)C)nc2nnnn23)C1 2325569 AZECXSXQSWWWCW-UHFFFAOYSA-N 374.518 1.866 0 40 FDAB Cc1cc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2cc1C 20634301 NVIDSVDERFKBQX-UHFFFAOYSA-N 368.489 1.306 0 40 FDAB Cc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1S(N)(=O)=O 12997104 RBQOOZCXDFPSLJ-UHFFFAOYSA-N 360.439 1.890 0 40 FDAB O=C(COc1cccc(C(=O)O)c1)NCCc1ccc2c(c1)OCCO2 13419275 BGLZZTAVXZAALM-UHFFFAOYSA-N 357.362 1.894 0 40 FDAB O=C(Nn1cnnc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 13625755 XFASZQFZXAYWLE-UHFFFAOYSA-N 352.398 1.565 0 40 FDAB Cc1nc(C)c(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)s1 6366770 HRYJUYBPINFDSC-UHFFFAOYSA-N 366.420 1.761 0 40 FDAB CN(CCCNS(C)(=O)=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 65553034 BLNFMKJPYWYLMH-UONOGXRCSA-N 367.298 1.823 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc2c(c1)OCCO2 14187954 VMAVNXCJOLNTLK-UHFFFAOYSA-N 351.362 1.484 0 40 FDAB O=c1cc(CSc2nnnn2C[C@@H]2CCCO2)nc2sccn12 14123744 MEHZVJLSZHCIHC-JTQLQIEISA-N 350.429 1.214 0 40 FDAB COC(=O)[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 14187834 IEIDGIGKTINCRO-LBPRGKRZSA-N 351.362 1.677 0 40 FDAB CCOc1ccc2oc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c(C)c2c1 14199006 DLANIQZOKILJPV-UHFFFAOYSA-N 371.393 1.954 0 40 FDAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N2 6502372 YQSPFNYWEAEIPU-SFHVURJKSA-N 374.418 1.779 0 40 FDAB COc1ccc(CCNC(=O)c2ccccc2-n2nnnc2C)cc1OC 71286812 XFWLQDLYQOEITI-UHFFFAOYSA-N 367.409 1.960 0 40 FDAB CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(CCO)C3)c1C 71890360 RERAVYWCUNHRRM-CYBMUJFWSA-N 357.458 1.454 0 40 FDAB COC(=O)[C@@H](NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12)C(C)C 95472951 WBDOTPFNHUODJK-KRWDZBQOSA-N 359.426 1.834 0 40 FDAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NC(C)C)cnc23)c1 67235601 CVASZAVSOJFCML-UHFFFAOYSA-N 354.410 1.935 0 40 FDAB C[C@@]1(NC(=O)CCc2nc(-c3ccsc3)no2)CCS(=O)(=O)C1 22551283 PPGAXGUTDYUKGR-CQSZACIVSA-N 355.441 1.424 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CCc2nc[nH]n2)cs1 547699140 PIIVWRJNNPHBJV-JSGCOSHPSA-N 366.466 1.573 0 40 FDAB Cc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)s2)c(C)c1 32831453 NZFIZPHAYSZSJP-UHFFFAOYSA-N 374.509 1.533 0 40 FDAB CN(C)C(=O)N1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306129720 IKXOUXNDGBGKOH-AWEZNQCLSA-N 358.446 1.427 0 40 FDAB CN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)NC1=S 39556738 ZVZXCPYCCMMNBS-ZSOIEALJSA-N 354.435 1.607 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CO2)C1 225388222 ZAFFMMQBQZGBNC-CVEARBPZSA-N 355.394 1.606 0 40 FDAB Cc1ncc(S(=O)(=O)N2CCc3sccc3[C@H]2C(=O)O)cc1C#N 326646545 YYMHINBCBFGMBI-AWEZNQCLSA-N 363.420 1.696 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cc2)n1 49550513 CKRQUHNWQKSCQZ-KWCYVHTRSA-N 352.398 1.144 0 40 FDAB CCOc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222672151 RIBCBRKUJDAOSN-UHFFFAOYSA-N 359.382 1.219 0 40 FDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccn1 85432569 QJAGZLRCCZIRPN-MRXNPFEDSA-N 367.453 1.936 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CN1Cc2ccccc2C1=O 328930824 AXLDRRAWOQDOHF-MRXNPFEDSA-N 354.410 1.582 0 40 FDAB CC1(C)C[C@@H](NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CCO1 85880044 HIVWDJNHQHSZPX-ZDUSSCGKSA-N 371.437 1.795 0 40 FDAB biogenic O=S1(=O)N[C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2Oc2ncccc21 514288816 BWEGTAXQUAOFKI-KGLIPLIRSA-N 365.842 1.659 0 40 FDAB biogenic,in-vitro O=C(c1cccnc1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230222 XFFSCUKLUXRNEG-UHFFFAOYSA-N 364.449 1.688 0 40 FDAB C[C@@H]1CCn2ncc(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)c2C1 578510995 GFBVPZZDBZCJLV-GFCCVEGCSA-N 370.409 1.461 0 40 FDAB CC(C)n1cc([C@]2(O)CCCN(S(=O)(=O)CC3CCCC3)C2)nn1 583616300 DOHFCGLQOMTCQJ-INIZCTEOSA-N 356.492 1.662 0 40 FDAB CNC(=O)/C=C/CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 618254210 PWIWFRHNFVFPIX-NSCUHMNNSA-N 370.375 1.735 0 40 FDAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ccnn2C)C3)cs1 248022513 IMBTXHHXMKHIBY-CQSZACIVSA-N 362.455 1.775 0 40 FDAB Nc1nccnc1C[C@H]1CCCN(Cc2ccc(OCC(=O)O)cc2)C1 257332684 XYGFRIRYQXKNOU-OAHLLOKOSA-N 356.426 1.977 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1 250505496 MGDOWMYFYRADJK-RDJZCZTQSA-N 374.437 1.732 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(=O)n1C 257311695 UKQJQLBHKRGDCN-MRXNPFEDSA-N 356.426 1.368 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 274217916 OFFBGGFPUJAHHW-JKSUJKDBSA-N 367.471 1.194 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3ccc(OC)cc3)CC2)C1 597661034 HYKKGVWYXUXCAX-AWEZNQCLSA-N 366.483 1.862 0 40 FDAB O=S(=O)(NCCO)c1cnc(N2CCC[C@@H](F)C2)c(C(F)(F)F)c1 1615053368 HYLWCRCMLXZEKL-SECBINFHSA-N 371.356 1.309 0 40 FDAB CN1CC[C@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)S1(=O)=O 629028616 DWRCSKSCOBQWHU-CYBMUJFWSA-N 362.373 1.624 0 40 FDAB O=C(c1cncc(-n2ccnn2)c1)N1CCN(CCc2ccncc2)CC1 636293966 VSYDCVRCAMZJHH-UHFFFAOYSA-N 363.425 1.058 0 40 FDAB COc1cccc(C[C@@H]2CCCN2C(=O)N[C@H]2CCc3nnnn3CC2)c1 643388044 XUWRUTKPAFIYNM-HOTGVXAUSA-N 370.457 1.803 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1ccc(OC)cc1 643879121 KVGRHZDLTACGDK-GOSISDBHSA-N 350.415 1.219 0 40 FDAB CN1C[C@@H]2CCCN(C(=O)Nc3ccc(CCS(C)(=O)=O)cc3)[C@@H]2C1 645002233 ABNUQZUSKQCBAS-DOTOQJQBSA-N 365.499 1.832 0 40 FDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(S(C)(=O)=O)c1 650973164 ASWDMFCPUKEJRU-INIZCTEOSA-N 366.483 1.888 0 40 FDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ncc2ccccc2c1O 668618835 YPEMXGATFZHQBA-LLVKDONJSA-N 353.300 1.833 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(S(=O)(=O)C(F)(F)F)C3)n1 575404732 PSNLYXSQQFIRRX-JTQLQIEISA-N 367.349 1.247 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2ccncc2)C1 585095738 GXQNQVMQNFTSPN-OLMNPRSZSA-N 367.453 1.566 0 40 FDAB CO[C@H]1CCN(Cc2nc(C(=O)N3CCn4c(nc(C)c4C)C3)co2)C1 685942708 UKGOHRWBOOZTFT-AWEZNQCLSA-N 359.430 1.365 0 40 FDAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cn1 681287945 HZUQFSMFRUSYNH-LLVKDONJSA-N 363.468 1.993 0 40 FDAB COc1cc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc(OC)c1OC 58292070 KBWHFIAREFJWEJ-JSGCOSHPSA-N 364.442 1.757 0 40 FDAB O=c1[nH]c(CN2CCN(CCO)CC2)nc2sc(-c3ccccc3)cc12 57749976 JYACZFLMTXSCOC-UHFFFAOYSA-N 370.478 1.762 0 40 FDAB O=C([C@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1)N1CCOCC1 631048687 HMRIHUUGPXKGQC-HNNXBMFYSA-N 355.442 1.682 0 40 FDAB COc1ccc(CCN[C@H](CC(=O)Nc2cccnc2)C(=O)O)cc1OC 5258823 HBKZNWQIAQMNBW-OAHLLOKOSA-N 373.409 1.713 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCOC)cc1 13633257 VECVLTFUZOZIEJ-UHFFFAOYSA-N 358.460 1.249 0 40 FDAB COc1ccc(NC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)cc1 17045093 REGLCWHPNSDJAK-UHFFFAOYSA-N 354.366 1.802 0 40 FDAB CC(C)[C@H](N)C(=O)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19451124 VKLVDLHAAHWYLK-WFASDCNBSA-N 364.471 1.421 0 40 FDAB CCc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1 19522675 RDRBIGYJRCJIKW-ZDUSSCGKSA-N 357.414 1.499 0 40 FDAB CCOc1ccc(-n2nnc(C(=O)NCc3noc(CC)n3)c2C)cc1 19523175 LUXOFFKHUYSKGB-UHFFFAOYSA-N 356.386 1.850 0 40 FDAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CCNS(=O)(=O)N(C)C 19749028 UXNXCFOXRLLYHC-CYBMUJFWSA-N 358.464 1.072 0 40 FDAB CN([C@@H]1CCCNCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 658403781 QXELMZDBEPXQEJ-GFCCVEGCSA-N 371.890 1.987 0 40 FDAB COc1ccc(CNC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 3497956 YCGCAZSCAACHRL-KRWDZBQOSA-N 357.362 1.695 0 40 FDAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ncccn2)CC1 1888847415 CHPWKGRWGANVSL-UHFFFAOYSA-N 354.414 1.123 0 40 FDAB CCNC(=O)CN(CC)Cc1nc2sc(C(C)=O)c(C)c2c(=O)[nH]1 39726589 AOSHXJLOBSAZHY-UHFFFAOYSA-N 350.444 1.454 0 40 FDAB CCn1c(SCC(=O)c2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 4161072 YJEKBVBQIVSTQB-UHFFFAOYSA-N 372.450 1.737 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC[C@@H](C)C1 10233882 QKRGWAFYKBIWCS-GFCCVEGCSA-N 372.473 1.035 0 40 FDAB CN(C)CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734548 ICJNMPXWBLXYAJ-UHFFFAOYSA-N 350.438 1.249 0 40 FDAB Cc1occc1C(=O)N1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055745880 LLGYKZHRRQQTHT-UHFFFAOYSA-N 359.430 1.497 0 40 FDAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1OC 19567394 WUIDJDAVUOZMIU-ZDUSSCGKSA-N 368.437 1.769 0 40 FDAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)O)[C@H]1C(=O)NCc1ccncc1 19576116 GRDRKKVVKNPIEL-QMTMVMCOSA-N 353.378 1.500 0 40 FDAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)NCc1cccs1 85561076 QKOHUFZRDODDFJ-ZDUSSCGKSA-N 362.407 1.333 0 40 FDAB COc1ccccc1CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 40040275 AJPBDFAZINKYSH-HNNXBMFYSA-N 357.332 1.885 0 40 FDAB O=C(O)C[C@@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 2707485 STHFIPLOWBFUDJ-IUODEOHRSA-N 356.378 1.673 0 40 FDAB C[C@@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)NCc1ccccc1 32691578 NQUMEORVVFEIPR-GFCCVEGCSA-N 360.439 1.989 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)COCc3nc4ccccc4s3)CC2)N1 21474396 FWOTXGIZGUKEON-UHFFFAOYSA-N 374.422 1.014 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@H](CO)O3)c2n1 4803628 PVDRONULGPDJKM-AVGNSLFASA-N 373.438 1.342 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCn1nnc2ccccc2c1=O 2662277 KWCOHLGNZHUNIA-HNNXBMFYSA-N 370.365 1.340 0 40 FDAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 102988283 GONBZKGAEPAHLF-HNNXBMFYSA-N 359.407 1.386 0 40 FDAB CCN(CC)C(=O)CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 32931062 GOZJMVXNHIQVQH-UHFFFAOYSA-N 369.487 1.315 0 40 FDAB COC(=O)C[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1 55291656 SKHARGCSWPABPQ-IJEWVQPXSA-N 370.471 1.543 0 40 FDAB O=C(NCCOc1ccccc1F)C(=O)NCCOc1ccccc1F 3068004 PECQCCSDCXPXEZ-UHFFFAOYSA-N 364.348 1.655 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC)ccc1-2 1042032 LPDFKGZDGVWXGK-UHFFFAOYSA-N 352.437 1.074 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cc(OC)c3c(c2)OCCO3)CC1 23798761 YLLMHGZYPCUUKI-UHFFFAOYSA-N 364.398 1.817 0 40 FDAB CC(=O)NCCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 106517033 AFGGDGQUQTVYEW-UHFFFAOYSA-N 366.893 1.987 0 40 FDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C(=O)OC)cc1 1432460 KNVIYVKFELJOBP-QWHCGFSZSA-N 362.411 1.695 0 40 FDAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccs1 1480259 HWFFFEGFKRNVHX-LBPRGKRZSA-N 361.423 1.540 0 40 FDAB O=C(NCCC(=O)N1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 25232081 SCYXWLCUJWKJCT-UHFFFAOYSA-N 355.394 1.384 0 40 FDAB CN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccccc1N1CCCCC1 12516928 BCLFQQMAFRDEKI-UHFFFAOYSA-N 372.513 1.846 0 40 FDAB CCN(CCCNC(=O)Nc1cccnc1N1CCCC1)S(C)(=O)=O 56616116 MFOMIEYTZJZBLY-UHFFFAOYSA-N 369.491 1.475 0 40 FDAB Cc1cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)nc(C2CC2)n1 116261606 HFHMENFNDHBEPH-UHFFFAOYSA-N 364.457 1.974 0 40 FDAB CCOc1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 35334271 IFTQVEZRZLFYHZ-SFHVURJKSA-N 353.422 1.936 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)cc12 27094791 LZQMXVCMEJFTOX-MRXNPFEDSA-N 362.397 1.686 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCOc4ccccc43)cc2[nH]1 108875461 INZRKBFEDBUMLJ-LLVKDONJSA-N 359.407 1.701 0 40 FDAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 10585066 YKXFEWXJSMAFHN-UHFFFAOYSA-N 361.379 1.601 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2n[nH]c(=S)[nH]c2=O)c1 11331440 LGWANIUWMDGSJE-SECBINFHSA-N 364.427 1.655 0 40 FDAB CCN(CC(=O)NC)C(=O)Cc1csc(NC(=O)c2ccco2)n1 48219189 PMYWVZJUFRQMOQ-UHFFFAOYSA-N 350.400 1.125 0 40 FDAB Cc1cc(C(=O)NC[C@H](C(C)C)N(C)C)cc(S(=O)(=O)N(C)C)c1C 12948819 IJWCZJYAGJJHJQ-MRXNPFEDSA-N 369.531 1.870 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccc(F)cc2)CC1 13019644 NLZPSTWZLMGJHQ-UHFFFAOYSA-N 372.462 1.915 0 40 FDAB Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1 4195466 UHJPGKSMWMCOFX-UHFFFAOYSA-N 351.366 1.694 0 40 FDAB CCOC(=O)CCc1c(C)c2ccc(OCc3nn[nH]n3)cc2oc1=O 4295029 XNAUTFDACZANEG-UHFFFAOYSA-N 358.354 1.689 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1 6405829 UQYSZMQVCJSLAW-UHFFFAOYSA-N 351.380 1.984 0 40 FDAB COC(=O)C[C@@H]1NC(=O)N(CN(C)Cc2nc3ccccc3s2)C1=O 14159049 DVRZDHRMHKDAID-NSHDSACASA-N 362.411 1.169 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCc1cccc(Cl)c1 5628497 AXRLLAIOYLWREZ-UHFFFAOYSA-N 363.801 1.690 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 6882197 DMNBQKXOBSEDEE-LBPRGKRZSA-N 352.354 1.243 0 40 FDAB COc1ccc(C2(CN3C(=O)[C@H]4CCC(=O)N4C3=O)CCOCC2)cc1 8765132 QPXACUFEPMSKPL-OAHLLOKOSA-N 358.394 1.697 0 40 FDAB biogenic Cc1n[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1C 70829626 WIEFLTCIFGBTNR-GFCCVEGCSA-N 355.316 1.869 0 40 FDAB O=C(c1ccc(OCC(F)F)nc1)N1CCC(N2CCCC2=O)CC1 90553368 QERRYAFAGVMNNX-UHFFFAOYSA-N 353.369 1.953 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)CN1CCC[C@H](N2CCCC2)C1 76681380 JXNNFXVHWUMDBM-SFHVURJKSA-N 372.513 1.864 0 40 FDAB CN(CCS(=O)(=O)NC1CCCCC1)S(=O)(=O)c1cccs1 8923494 MEAABKVBWJPASI-UHFFFAOYSA-N 366.530 1.621 0 40 FDAB CN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 9114512 JSAXVBQIELOSAO-CQSZACIVSA-N 359.451 1.620 0 40 FDAB CC1([C@@H]2CCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)OCCO1 96011020 LLEFHFZZOZMBEA-MOPGFXCFSA-N 374.481 1.889 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)c(OC)c1 9303883 AIUJOXRMSJDLGH-RYUDHWBXSA-N 356.469 1.799 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 9419753 DHFGTQASWCUPKN-UHFFFAOYSA-N 372.406 1.073 0 40 FDAB Cc1noc(C)c1CN1CCN(Cn2ncc3ccccc3c2=O)CC1 64111574 PISDOZRAOKUTIN-UHFFFAOYSA-N 353.426 1.777 0 40 FDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(C(C)C)c1 97014005 TWNODGYVVMCOHN-CYBMUJFWSA-N 352.464 1.992 0 40 FDAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2 97086288 WPZUCLTXQSUBDV-GFCCVEGCSA-N 368.846 1.988 0 40 FDAB Cc1cc(C)nc(NCCC(=O)N2CCN(CCc3ccncc3)CC2)n1 95475019 IYQXRAFZEJYGHA-UHFFFAOYSA-N 368.485 1.677 0 40 FDAB CCN(CC)[C@H]1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 74176570 KEBHHMDKBLEGHE-HNNXBMFYSA-N 353.488 1.507 0 40 FDAB COc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)c(C(C)(C)C)c1 26781156 GJORLINIQRMOPI-MRXNPFEDSA-N 366.502 1.342 0 40 FDAB CCN(CC)C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 20975876 OLZDJMZHPQMMOK-MYMYQCDVSA-N 350.459 1.873 0 40 FDAB CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 32916551 KJZZBQRPYRYAKH-ZDUSSCGKSA-N 356.444 1.287 0 40 FDAB CCOC(=O)CCC(=O)Nc1nn(C)c2c1[C@H](c1ccco1)CC(=O)N2 36705569 MSKIHXWWSMXPGP-JTQLQIEISA-N 360.370 1.769 0 40 FDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 36389706 ZAWJBABOCLKSQH-NSHDSACASA-N 354.248 1.940 0 40 FDAB COC(=O)c1cn([C@H](Cc2ccc(OC)cc2)C(=O)O)cc2c(O)nnc1-2 524730786 XFLKSYHBRBWCKL-CQSZACIVSA-N 371.349 1.752 0 40 FDAB biogenic COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 39539621 ZKBQBTZBPFPQLP-UHFFFAOYSA-N 374.846 1.737 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217532820 YFRFGPHQMIDODB-YPMHNXCESA-N 372.443 1.289 0 40 FDAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1OC 72227079 IFDYLBFRWVQIHF-MSOLQXFVSA-N 356.378 1.843 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1 128058215 IGEBALGETUOGMH-UHFFFAOYSA-N 364.442 1.946 0 40 FDAB CCOc1ccc(NC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)cc1 49411088 OVKGYIRKFJAHAK-UHFFFAOYSA-N 372.425 1.426 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 229944543 MZOGZDBHDYRXRZ-DEXNDLTESA-N 372.352 1.801 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1 226857417 KXMJHJJFKXLPGX-UHFFFAOYSA-N 351.336 1.898 0 40 FDAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 223038279 ZMQBGOUCYCOMEG-UHFFFAOYSA-N 364.379 1.366 0 40 FDAB O=C(c1ccncc1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762117 OFTKWNAMWFXYNE-UHFFFAOYSA-N 368.368 1.701 0 40 FDAB Cn1[nH]c([C@@H]2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)nc1=N 580874477 GFFWBZPWOFSOEY-RWUOKQAASA-N 358.490 1.305 0 40 FDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 96225603 GNULZXXVZNSVQK-QFBILLFUSA-N 361.417 1.842 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@H]21 96043347 RNUKOASLBRUGNO-IXDOHACOSA-N 353.426 1.419 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1cnccn1 96044411 RQVSLPRLPPINJC-INIZCTEOSA-N 357.414 1.144 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)C[C@H](NC(=O)c1ccccn1)CO2 96221060 WWKHFOBTMUZHCV-HNNXBMFYSA-N 355.442 1.369 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(O)cc1 96343654 FQFAVSDHBWKNQQ-KRWDZBQOSA-N 367.405 1.582 0 40 FDAB biogenic C[C@H]1CN(C(=O)Cc2ccc(-n3cnnc3)cc2)CCN1CC(F)(F)F 583748603 NWPPBJVTWXUEJJ-ZDUSSCGKSA-N 367.375 1.905 0 40 FDAB COCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 257318033 VMFGEINWZKGZHV-SFHVURJKSA-N 353.422 1.607 0 40 FDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257268292 MLALQXSTJQTWIJ-HNNXBMFYSA-N 355.398 1.323 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(F)c(F)c1)C2 253381893 GFVFLLKVHVZBJB-GFCCVEGCSA-N 359.394 1.631 0 40 FDAB CN(CC(=O)NC1(c2ccccc2)CCC1)S(=O)(=O)c1cccnc1 41788209 FEKPQILZERXDPS-UHFFFAOYSA-N 359.451 1.898 0 40 FDAB Cc1ccnc([C@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)n1 257324075 WNARYYWOMRJSAV-OAHLLOKOSA-N 350.382 1.579 0 40 FDAB O=C(CN1CCC[C@@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 585082140 NKKXIYADSJSQPL-OAHLLOKOSA-N 353.426 1.580 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)Cn1ccnc1C 257279857 OIMCVLDEELRQJS-INIZCTEOSA-N 356.430 1.290 0 40 FDAB CCN1C(=O)C[C@H](C(=O)Nc2nncn2C2CC2)[C@H]1c1cnn(C)c1C 614581499 IUSYKJDHQMKDMC-WFASDCNBSA-N 357.418 1.203 0 40 FDAB O=C(CCn1cccn1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 630141412 QOUKBJVKRYEINW-INIZCTEOSA-N 370.409 1.991 0 40 FDAB Cn1[nH]c(CN2CC[C@H](C(=O)O)c3cc(Br)ccc32)nc1=O 635019347 VCEFNLYUMBUOMJ-VIFPVBQESA-N 367.203 1.449 0 40 FDAB CC(=O)NC[C@H]1CN([C@H](C(=O)O)c2ccccc2Br)CCO1 659787382 HFISHJWAMKVIDJ-FZMZJTMJSA-N 371.231 1.412 0 40 FDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 295437730 VLLGENJVFZWSIE-GFCCVEGCSA-N 357.458 1.125 0 40 FDAB COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)O)c(F)c2)n1 489023833 QDDRPPPKNHAHLX-VIFPVBQESA-N 357.363 1.729 0 40 FDAB CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2cn(C)c3ccccc23)C1 585281392 WZWYKSIDNCGSND-IBGZPJMESA-N 359.426 1.172 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1 585293107 WZDMIYBGCIJWJJ-RZIFZGNASA-N 352.442 2.397 0 40 FDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 685939817 HTZHVPBIGMTLDP-MRVPVSSYSA-N 352.338 1.256 0 40 FDAB CC(C)[C@H](C(=O)N[C@@H](C)Cn1cccn1)N1C(=O)c2ccccc2C1=O 58201241 POEFUHUKGYXOQQ-XJKSGUPXSA-N 354.410 1.709 0 40 FDAB Cc1nnc2ccc(N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)nn12 585502308 RKSNJGAQQRDVIU-UHFFFAOYSA-N 365.441 1.395 0 40 FDAB CC[C@@H](C)[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)n1cnnn1 1615152023 NTYQHKOLNWODPI-PXAZEXFGSA-N 359.430 1.862 0 40 FDAB COC(=O)CCc1cc2c(s1)=NC(=O)CNC=2c1ccccc1Cl 136880703 XOPXVJNGAQFSHW-UHFFFAOYSA-N 362.838 1.413 0 40 FDAB in-vitro Cc1noc(C)c1C(=O)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 5398780 FRMROJZBDRYORO-BURFUSLBSA-N 358.394 1.773 0 40 FDAB biogenic,in-vitro Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O 13027094 YKMQWSPCSGHYAC-AWEZNQCLSA-N 363.391 1.667 0 40 FDAB COC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479784 HSGBQAGRMQRLGA-RYUDHWBXSA-N 351.403 1.143 0 40 FDAB CCc1cc(C(=O)N2CCc3c(O)nc(-c4cnccn4)nc3C2)on1 12276656 BVBHADVFRTVLCZ-UHFFFAOYSA-N 352.354 1.388 0 40 FDAB COc1ccc(OCCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 16259959 IVFRFYRHPWUUAD-UHFFFAOYSA-N 367.405 1.909 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(O)c1F 1888853072 DOJFYCXOYHDMST-UHFFFAOYSA-N 352.316 1.870 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)C5CCOCC5)C[C@H]4C3)n1)CCC2 1888856562 VRQXSNOFBLAGFS-HZPDHXFCSA-N 356.470 1.595 0 40 FDAB CC1(C)C[C@@H]1C(=O)NC(=CCCCCSC[C@H](N)C(=O)O)C(=O)O 1857524413 DHSUYTOATWAVLW-MNOVXSKESA-N 358.460 1.433 0 40 FDAB Cn1cc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 4338451 OAFMNEIGYYOQNV-UHFFFAOYSA-N 365.194 1.159 0 40 FDAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)c1 5409563 ZXVDZVMKIIFBCL-CQSZACIVSA-N 373.409 1.223 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 10063758 UAEQSFBHEPPZOB-UHFFFAOYSA-N 359.407 1.965 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ncccn2)CC1 2055734686 LOQXTQHCDQDJDX-UHFFFAOYSA-N 357.389 1.449 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2ncccn2)CC1 43941441 LGFYRNVPKAZGQX-UHFFFAOYSA-N 359.455 1.187 0 40 FDAB O=C(CN1CCC(C(=O)N2CCSCC2)CC1)NCc1ccccc1 2298114375 OCHDTRJRLADNBL-UHFFFAOYSA-N 361.511 1.590 0 40 FDAB COC(=O)C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 40039697 JIDLIDXTXUTCJO-HNNXBMFYSA-N 351.362 1.729 0 40 FDAB CC(=O)NCCCCCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 40080018 SOEYWUIZMGVAAZ-UHFFFAOYSA-N 359.423 1.832 0 40 FDAB COC(=O)c1ccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)nc1 40060454 GMUCMMBINAZHNG-UHFFFAOYSA-N 368.349 1.172 0 40 FDAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C 11635306 NDAHIUSWELFZTH-ZDUSSCGKSA-N 368.503 1.953 0 40 FDAB O=S(=O)(c1ccc(I)s1)N1CCOCC1 1423347 NLLYWADPOIJUPT-UHFFFAOYSA-N 359.210 1.374 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4553379 GUSQRVIGTKPWEJ-RMHZUWNSSA-N 368.389 1.609 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6741679 AGMFVBZHNYTSQB-ATLSCFEFSA-N 358.413 1.993 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c1C(N)=O 32859768 FHCQTRRANACQPZ-UHFFFAOYSA-N 351.765 1.995 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(-c2nnn[nH]2)cc1 32820611 HDXLTFMHXYDMHP-UHFFFAOYSA-N 357.395 1.831 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 8718836 ZERIIUSISWLFQR-UHFFFAOYSA-N 373.453 1.848 0 40 FDAB CCN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 100164746 VSEZDCVWCRRUNX-LXGFNABISA-N 367.449 1.590 0 40 FDAB CC(C)(C)c1nc(SCC(=O)N2CCN(c3ccccn3)CC2)n[nH]1 12259364 NGMSRILSJWXPKU-UHFFFAOYSA-N 360.487 1.938 0 40 FDAB CCN(CC)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 23197557 JWSWHLZNFSJVBS-IRXDYDNUSA-N 352.500 1.490 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1ccc(Cn2cncn2)cc1 47122029 JDCKORKQHNHIHM-UHFFFAOYSA-N 360.381 1.232 0 40 FDAB COCc1nc2[nH]c(=O)c3c(n2n1)NC(=O)C[C@@H]3c1ccccc1Cl 61720569 DIXRAKYLBFAAQN-SECBINFHSA-N 359.773 1.692 0 40 FDAB O=C(COc1nsnc1N1CCOCC1)NCc1ccc(F)cc1 1431307 GCPONQLMIXONRX-UHFFFAOYSA-N 352.391 1.209 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1nncn1-c1cccc(NC(C)=O)c1 12545355 HHNKVOYPCAGKLP-VIFPVBQESA-N 362.415 1.162 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cnn(C)c2)C(C)C)cc1C 25307631 FHKQJHIXJHXNPZ-MRXNPFEDSA-N 364.471 1.979 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)c1 35300901 MIAMETUYOBQGLH-QGZVFWFLSA-N 369.421 1.555 0 40 FDAB CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCO3)NC(=O)N[C@@H]1C 57754827 GIXYUAFTLGXLTF-LLVKDONJSA-N 361.398 1.366 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(F)cc1 3308792 IWPWSNZZCDXLEK-FQEVSTJZSA-N 367.380 1.835 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)C2(O)CCCCC2)cc1 22226294 RIUDKJPTHDENNO-UHFFFAOYSA-N 371.455 1.554 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 12800054 DOAZYZQMOGBDGX-UHFFFAOYSA-N 367.471 1.866 0 40 FDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCC(F)(F)F 3491436 PCMIABJLJYWXJD-UHFFFAOYSA-N 361.349 1.750 0 40 FDAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N[C@H]1CCS(=O)(=O)C1 48589547 KZKVRDFLADXVMH-HNNXBMFYSA-N 370.430 1.500 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1C 12987371 MMBBZQRENCBXOG-UHFFFAOYSA-N 368.437 1.388 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCOc2ccccc21 13003441 NJFKNTKGYOBSKD-OAHLLOKOSA-N 365.389 1.720 0 40 FDAB CCONC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 13012139 FHZNSCUQTVRFMD-UHFFFAOYSA-N 358.324 1.427 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 13281228 QDKSXXVHIIMOHO-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB Cn1cnc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1 91774504 NBGRCOBUMMJEDN-CYBMUJFWSA-N 353.785 1.891 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1 6237510 SPWFWJTVXWURID-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2cccc(F)c2)CC1 14095452 XSTCDQKHRRNJAX-GFCCVEGCSA-N 364.450 1.446 0 40 FDAB NC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nnnn1-c1ccccc1 6454560 PRBZKRPOZFUUNL-ZDUSSCGKSA-N 351.395 1.442 0 40 FDAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cnc2ccccn2c1=O 14848994 LDNNORXVFXSMHF-UHFFFAOYSA-N 359.389 1.853 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 5882959 XMUSIPFKGDFYIH-UHFFFAOYSA-N 370.452 1.746 0 40 FDAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942404 FMQXWRIEQOZIQH-VDWHBMEOSA-N 359.378 1.765 0 40 FDAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc2c(c1)OCO2 7036234 JIYHSVCLZTVZBV-UHFFFAOYSA-N 371.378 1.827 0 40 FDAB Cn1cnc([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 306139087 SOZCOHNWEXRMDC-YWZLYKJASA-N 368.437 1.881 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](O)c1c(F)cccc1F 97019256 NKNYRAUOBKCMSO-LBPRGKRZSA-N 352.341 1.103 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 89532530 SNWBGSRINJWHJE-CYBMUJFWSA-N 358.441 1.356 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)C1CCC1)Cc1cn(C)nc12 306125090 CGRHZAVUZOMQMK-UHFFFAOYSA-N 359.474 1.578 0 40 FDAB COc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1O 39489173 UZWVACQZDISKML-NSHDSACASA-N 373.361 1.991 0 40 FDAB CN1CCO[C@H](C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)C1 548024970 JOLOHAKHRISFJZ-LSDHHAIUSA-N 364.515 1.287 0 40 FDAB CCn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 72369569 KYTXHMOEHKIXSF-LLVKDONJSA-N 351.432 1.049 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)C1 556269080 ZBXPOPVNGGKLQH-LBPRGKRZSA-N 365.455 1.595 0 40 FDAB CC(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44883111 NVWQFGAWMJWHBP-UHFFFAOYSA-N 354.472 1.625 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(F)cc2)s1 224181641 BHWWHJGTTSGELA-UHFFFAOYSA-N 358.420 1.547 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CO2)C1 225388263 ZAFFMMQBQZGBNC-HOTGVXAUSA-N 355.394 1.606 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100091 JZKFZVHTTKLQNV-BDJLRTHQSA-N 367.365 1.133 0 40 FDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 96207234 BOXMYMSTIGZBEM-APWZRJJASA-N 356.426 1.565 0 40 FDAB O=C([C@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCOCC1 96052213 HVTUVQZUZOZNHB-CQSZACIVSA-N 351.472 1.231 0 40 FDAB COC[C@@H]1CCC2(CCN(Cc3cc(C)on3)CC2)N1S(C)(=O)=O 96206411 QRKAVJAXAWNJOB-HNNXBMFYSA-N 357.476 1.388 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@H](Oc1ncccc1F)CO2 96107043 ZFZOTXGJRDOEQZ-ZDUSSCGKSA-N 358.373 1.853 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC(C)C)CC1 244228515 WEAJGSBLVBGWQE-UHFFFAOYSA-N 354.472 1.929 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257257843 KRHPCMAGNMLOJU-KRWDZBQOSA-N 358.446 1.464 0 40 FDAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(O)nc(O)n3)CC[C@H]21 257201585 AIFREDOEGHMOGV-IIAWOOMASA-N 354.410 1.448 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 253491875 OBWHEROHFNQNOM-CQSZACIVSA-N 368.528 1.906 0 40 FDAB C[C@@]1(O)CCN(Cc2ccc3cc[nH]c3c2)C[C@H]1n1ccc(O)nc1=O 257283731 OZRBRHJIIBDBFW-VQIMIIECSA-N 354.410 1.628 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(S(=O)(=O)c2cccs2)CCO1 257302713 SDZFKAJJDYGAGJ-LLVKDONJSA-N 354.457 1.366 0 40 FDAB O=C(c1cccc(OC(F)F)c1)N1CC(S(=O)(=O)NC2CCCC2)C1 679737227 CZDZNCYSZFTJKD-UHFFFAOYSA-N 374.409 1.974 0 40 FDAB Cc1ccc(NC(=O)c2cnc3[nH]cnc3c2)cc1C(=O)N1CCOCC1 683882072 JCFBRMQAFFCFGS-UHFFFAOYSA-N 365.393 1.991 0 40 FDAB Cc1ccncc1CCCN[C@H]1CCN(Cc2cn(C)nc2C(N)=O)C1 1775961934 JFMMCRTXJPMRGL-KRWDZBQOSA-N 356.474 1.019 0 40 FDAB Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@H]1CC(c2cccnc2)=NO1 1644343914 JXQYSUUCNGBEEK-OAHLLOKOSA-N 374.422 1.478 0 40 FDAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)N[C@H](CO)c3ncc[nH]3)c2)C1=O 1672351038 CQBJTNDYNSJYHQ-CHWSQXEVSA-N 372.385 1.100 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1C(=O)O 580837204 OJPWFNTUGCBAOL-GLQYFDAESA-N 369.439 1.875 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)COCCOc3ccccc3)ccc21 58201998 GFCFYCZSEQNMOH-UHFFFAOYSA-N 355.394 1.911 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 57416266 WRECGNVBSYSIIB-CYBMUJFWSA-N 359.879 1.811 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)CCn2cncn2)C1 78571424 AWUPLTPVUPHNQG-AWEZNQCLSA-N 351.451 1.822 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccnc2NC(C)=O)cc1OC 97162801 USYMENWIXKJVBM-UHFFFAOYSA-N 351.384 1.858 0 40 FDAB COC(C)(C)C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153944 CZDBSLIXLSGQLF-LJQANCHMSA-N 364.417 1.975 0 40 FDAB Cn1cc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)ccc1=O 1615154217 DYKJFCYISPNFPN-FQEVSTJZSA-N 367.405 1.033 0 40 FDAB Cc1nc(C(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3nccn3C)C2)c(C)s1 1615546262 FLALPIURDCOBLU-ZIAGYGMSSA-N 373.482 1.628 0 40 FDAB CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C)n3)CC2)on1 12275610 RBNXTUWAMORMHL-UHFFFAOYSA-N 359.430 1.762 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC(=O)Nc1ccccc1 12562202 PDYHHHMKYYJIRC-UHFFFAOYSA-N 374.422 1.045 0 40 FDAB Cc1nnc2ccc(N3CCN(C(=O)NCc4ccccc4)CC3)nn12 13700467 PODJCIWFEACQJA-UHFFFAOYSA-N 351.414 1.465 0 40 FDAB CCS(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 14398787 ILFJUZJNBJDBRR-UHFFFAOYSA-N 356.444 1.529 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cnn1C 19553911 UBTZKODMXOIOSB-CYBMUJFWSA-N 374.426 1.699 0 40 FDAB Cc1ccccc1OCCC(=O)N1CCC[C@H]1c1nnc2n1CCNCC2 19710705 IRIBMEVABLSHJL-INIZCTEOSA-N 369.469 1.865 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225427109 YTYYHVNUFYUNNW-KBPBESRZSA-N 352.460 1.023 0 40 FDAB CSc1ncccc1C(=O)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225630510 JTDHZGSLJMXRBR-UHFFFAOYSA-N 372.454 1.215 0 40 FDAB O=C(CN1CCN([C@H](C(=O)O)C2CC2)CC1)Nc1ccccc1Cl 635014879 ASWMQAFBJZVFNS-INIZCTEOSA-N 351.834 1.759 0 40 FDAB O=C1[C@H]2CN(Cc3n[nH]c4c3CCCC4)C[C@@H]2C(=O)N1Cc1ccccc1 1888857179 CAGAFYVUZNWUFY-IRXDYDNUSA-N 364.449 1.906 0 40 FDAB CCc1nc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)nc(O)c1F 1888864380 ZQSVPIYUIRANLH-RYUDHWBXSA-N 357.389 1.487 0 40 FDAB c1cc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc(C2CC2)n1 1888869534 OLJALYMLUUCQJV-UHFFFAOYSA-N 367.457 1.307 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC5CCOCC5)C[C@@H]4C3)n1)CCC2 1888875583 IPFSTTVBYYWUJE-GJZGRUSLSA-N 371.485 1.530 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccc(F)cc2)nn1 863391745 NXZNWULWUHDJMK-AWEZNQCLSA-N 361.402 1.762 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccsc2n1 36389795 CVVCRQLPAGMBPA-HNNXBMFYSA-N 355.419 1.856 0 40 FDAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]1c1cccs1 36386875 MDALPEDVXQVOEX-MNOVXSKESA-N 362.455 1.136 0 40 FDAB Cn1nc2c(cc1=O)C[C@H](C(=O)NCc1nc(-c3ccccc3)no1)CC2 238920079 SXRLWAWQTAFOQO-CYBMUJFWSA-N 365.393 1.252 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)N=c3[nH]onc3C)C2)cc1C 2037916069 LVCJFYCPFSTPKE-LJQANCHMSA-N 374.441 1.261 0 40 FDAB O=C1COC[C@]2(CN(Cc3ccncc3)CCO2)CN1c1ccccc1 2037980913 MXSJXSIGZZMTDQ-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037985045 WCCUGBGFQVPBIP-ZHALLVOQSA-N 351.406 1.513 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 1565545642 JLKISNYAGGAKIZ-DOADOZAASA-N 357.454 1.419 0 40 FDAB CCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)c(C)n23)n(C)c1=O 4250875 AZJFRUNWSXGCTI-UHFFFAOYSA-N 351.410 1.834 0 40 FDAB COc1ccccc1C1(CNC(=O)C(=O)Nc2ccon2)CCOCC1 16975589 MZJICSDHIGIUKR-UHFFFAOYSA-N 359.382 1.486 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cccnc2)cs1 16974938 KASLMVXQLXNOCK-LBPRGKRZSA-N 352.441 1.568 0 40 FDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772466 LGEJAMNKJWQDEN-LJQANCHMSA-N 356.426 1.691 0 40 FDAB COCCN1CCO[C@@H]2CCN(C(=O)Cc3noc4ccccc34)CC[C@@H]21 2055746295 KVZYSJWBUSOIGB-PKOBYXMFSA-N 373.453 1.709 0 40 FDAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1cn(-c2ccccc2)nn1 1775969074 WLHAGXCQXUZGKD-UHFFFAOYSA-N 363.352 1.767 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccco1 38671219 HRLDSKOLKCAWQF-UHFFFAOYSA-N 352.387 1.608 0 40 FDAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@@H]1CCCO1 2298109321 NSVMYFVGHWGORD-GJZGRUSLSA-N 373.444 1.251 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@@H](C)CCc1ccccc1 12390788 FRVJODYFAOWOTR-ZDUSSCGKSA-N 353.426 1.796 0 40 FDAB Cc1csc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)n1 40286960 WOEKUEJXXAWSNR-QGZVFWFLSA-N 356.407 1.999 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 100788338 GIFLZIXZJZLAOF-RGPZOAQRSA-N 356.378 1.226 0 40 FDAB biogenic O=C1O[C@@H](C(=O)N2CCN(C(=O)C3CCCC3)CC2)Cc2ccccc21 29326425 HJBSKKFMWGTRKW-QGZVFWFLSA-N 356.422 1.629 0 40 FDAB O=C(N[C@H](CO)c1ccccc1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20733130 JKAZKHNSJFKJLS-QGZVFWFLSA-N 350.374 1.908 0 40 FDAB CCOC(=O)C(=O)N1C(C)=C(C(=O)OCC)CC(C(=O)OCC)=C1C 1636427 YDOMTEZPKRUOCO-UHFFFAOYSA-N 353.371 1.456 0 40 FDAB O=S(=O)(O)CCc1cccc[n+]1C[C@H](O)COc1ccccc1Cl 3032866 VSQCGFZSAOUICL-AWEZNQCLSA-O 372.850 1.498 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1 3241002 HDBPDDQRRUGMBK-UHFFFAOYSA-N 362.407 1.068 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3O)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4560591 QYHDAPSRVVKNBC-SGPHBRAGSA-N 365.382 1.727 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)N1C(=O)N1CCOCC1 4985922 WSBPIKKXKHDOFO-OLZOCXBDSA-N 371.434 1.319 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(-n2cccn2)nc1 32802614 FDLYASRUPFPTLR-UHFFFAOYSA-N 364.409 1.708 0 40 FDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O 6679197 JQOCOKMGPYZUJW-UHFFFAOYSA-N 373.434 1.900 0 40 FDAB COC1(OC)[C@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5C(=O)[C@H]3[C@]1(Cl)[C@]5(Cl)[C@]42Cl 100019724 IXQXXDRHGCNCJI-WGEYKELGSA-N 372.031 1.557 0 40 FDAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8380717 SIRBQXITYXHKJB-UHFFFAOYSA-N 368.455 1.337 0 40 FDAB Cn1ncnc1CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 87191562 YSIQIJUWNJIMOY-AWEZNQCLSA-N 351.357 1.419 0 40 FDAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 22239709 CCGPMXJKVCDSDV-NEPJUHHUSA-N 366.468 1.051 0 40 FDAB CN(C)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cn1 22420583 JXDOTYSESMOYPK-UHFFFAOYSA-N 353.382 1.180 0 40 FDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@H](C(=O)OC)CC2=O)CC1 57327987 NFMQTUJIRLMJJH-HOCLYGCPSA-N 358.438 1.981 0 40 FDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24915004 CXJRAMGFYCOJTJ-CYBMUJFWSA-N 369.377 1.488 0 40 FDAB Cc1c([C@@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)cnn1C 25004603 PAMWJXJFCPBVPM-NEPJUHHUSA-N 354.414 1.244 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 25033446 IRLIEEQVSQBCCZ-GFCCVEGCSA-N 359.209 1.426 0 40 FDAB COCCN(CCOC)C(=O)CN1CCN(c2ccc(F)cc2)CC1 57711637 LEXBMQGJWLNPPY-UHFFFAOYSA-N 353.438 1.069 0 40 FDAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(c2ccccn2)CC1 101969133 DQRABVSJVLOARW-IYBDPMFKSA-N 355.446 1.223 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 27266095 LPZUJFVNYGSFDL-SGTLLEGYSA-N 368.393 1.185 0 40 FDAB CCN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)[C@H]1CC(O)=NC1=O 58223893 KOCYWWSUKYDLNF-SYTKJHMZSA-N 362.382 1.830 0 40 FDAB Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n(CC(C)C)c1C 27927996 OVLQROPKUXEART-ZIAGYGMSSA-N 373.544 1.940 0 40 FDAB O=C(CN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1)NC1CC1 36389539 KWGZMFMSKJFLAV-UHFFFAOYSA-N 369.387 1.671 0 40 FDAB C[S@@](=O)Cc1cccc(C(=O)OCc2cc(=O)n3ccccc3n2)c1 10781907 CIJMPUBHLPMVHP-VWLOTQADSA-N 356.403 1.930 0 40 FDAB C[C@H]1CN(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 28842745 JASZHNYVGJNDFJ-OKILXGFUSA-N 369.487 1.375 0 40 FDAB CCOC(=O)C1=C(CSCC(=O)OC)NC(=O)N[C@H]1c1cccs1 12768029 WYTAHTDCNMRCDB-ZDUSSCGKSA-N 370.452 1.825 0 40 FDAB Cc1ccc(O)c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 48355208 BIVJXZMRKJQBQX-UHFFFAOYSA-N 367.405 1.203 0 40 FDAB NC(=O)CCN(C(=O)Cn1cnc2ccsc2c1=O)c1ccccc1 12888124 VUCVSZUNLLBFPS-UHFFFAOYSA-N 356.407 1.367 0 40 FDAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 12976619 VXOCSKJVPHGPMK-MRXNPFEDSA-N 361.442 1.661 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(F)c2)NC(=O)NC1 12925165 DDBBJCGTTPXAIL-UHFFFAOYSA-N 352.318 1.121 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCCCC[C@H]32)C1=O 3858617 PPWJIYKQAJPIBV-HNNXBMFYSA-N 356.426 1.611 0 40 FDAB biogenic CCn1c([C@H]2CCCN2C(=O)CN2CCC(=O)NC2=O)nc2ccccc21 78611943 KLSBQVOCDJDDBH-OAHLLOKOSA-N 369.425 1.662 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCOCC2(C)C)CC1 64247938 HARANCXETPFKKV-UHFFFAOYSA-N 373.497 1.827 0 40 FDAB COc1ccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 4116016 PYLANYTYKHHVFC-UHFFFAOYSA-N 371.441 1.559 0 40 FDAB Cc1nc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)sc1C 39973560 KGPYKPOBEGZSCR-UHFFFAOYSA-N 357.395 1.207 0 40 FDAB CCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(S(=O)(=O)NC)cc1 65417687 MMRZKTKMLLIPDZ-CQSZACIVSA-N 362.455 1.984 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H]([C@@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 17167251 OJTAKJORQOHLEH-OJLVUWQFSA-N 371.393 1.949 0 40 FDAB C[C@H](Oc1ccc(C(=O)NCCNS(C)(=O)=O)cn1)c1ccccc1 65549559 DQNRENOKMJFNKI-ZDUSSCGKSA-N 363.439 1.501 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 8485478 GFFSDWJSBOGTAT-UHFFFAOYSA-N 355.325 1.961 0 40 FDAB O=C1C(=O)N(CN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc21 5478202 DHHPHHZCERUATB-UHFFFAOYSA-N 350.330 1.420 0 40 FDAB O=C1c2cccc3cccc(c23)C(=O)N1NC(=S)NC[C@@H]1CCCO1 6602304 FPAXMAVKWFGMLP-LBPRGKRZSA-N 355.419 1.994 0 40 FDAB Cc1cccc2nc(CSc3nnc(CN4CCCC4=O)o3)cc(=O)n12 8428298 LMPNLXVQLDHSJV-UHFFFAOYSA-N 371.422 1.801 0 40 FDAB CN(C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1 5871167 TWBWHDSMVWSMRH-UHFFFAOYSA-N 351.362 1.640 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(OC)c1 4939423 URQASQCDTYSTEU-ZDUSSCGKSA-N 359.334 1.008 0 40 FDAB biogenic Cc1cc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)nc(C(C)C)n1 91790112 LCDNWCKMOOOPPK-UHFFFAOYSA-N 358.450 1.069 0 40 FDAB Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc12 7464924 WXLPBZWDHVLGMZ-LBPRGKRZSA-N 365.407 1.092 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(NCc2ccc(OC)cc2)s1 8884346 DDPCKEMYHZWEOB-UHFFFAOYSA-N 367.456 1.707 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)C3CC4(CCC4)C3)ccc21 408497694 JNUPWGUUDRKEAS-UHFFFAOYSA-N 363.439 1.262 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1 96007900 RXUKZBDGEKHSMX-QRWLVFNGSA-N 373.453 1.650 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc(Cl)c1 72402191 GEQNSBHEKZGRKS-UHFFFAOYSA-N 374.832 1.600 0 40 FDAB COc1ccc(S(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1C 79112627 CTTDNZQGIGXIIT-ZDUSSCGKSA-N 365.498 1.112 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998972 ZGYAWINBSWBEKD-INIZCTEOSA-N 370.446 1.021 0 40 FDAB CS[C@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H]1N1CCCC1 95939749 XPMGTLBYDPPXAO-HOTGVXAUSA-N 363.483 1.203 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC[C@@H]1[C@H](C)O 95993518 HRLUYHBYKOJACM-SUMWQHHRSA-N 366.483 1.811 0 40 FDAB CS[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C[C@@H]1N(C)C 89568458 VMYCFYIHQALSEZ-RDJZCZTQSA-N 372.494 1.659 0 40 FDAB COc1ccc(NC(=O)C[C@H]2Cc3c(O)nc(OC)nc3NC2=O)cc1 1548338346 NUCSDGOOTTYTOK-SECBINFHSA-N 358.354 1.339 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1 306143319 XYPBWAKXTRVUJC-CQSZACIVSA-N 367.475 1.141 0 40 FDAB CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC(=O)N(C)[C@H](C)C1 506522778 QXDJEGHCJOFADL-CQSZACIVSA-N 356.426 1.964 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(C(=O)C1CC1)C2)c1cccs1 306126469 DWTTVHJGFPPXKS-KSSFIOAISA-N 371.466 1.843 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 563702461 IXRLLJCFQKIERH-NSHDSACASA-N 372.351 1.404 0 40 FDAB COc1ccccc1OCCNC(=O)c1ccc(-n2nnnc2C)cc1 71285126 LPPHOAFPYLYNDC-UHFFFAOYSA-N 353.382 1.788 0 40 FDAB CNC(=O)c1nn(C[C@H](O)COCc2ccccc2)c(=O)c2ccccc12 32907296 CAOXQRSNHSUBEZ-HNNXBMFYSA-N 367.405 1.334 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 224161390 YQLQKYPDJGEJQZ-AEJSXWLSSA-N 358.489 1.990 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccncc1 44891553 NOQIWQGDHGGZJG-UHFFFAOYSA-N 353.426 1.934 0 40 FDAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NCc1ccco1 75156412 UNSFMFRTCBIDKT-UHFFFAOYSA-N 352.394 1.969 0 40 FDAB Cc1nc2ccccn2c1C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O 225805684 SFADEPBHIOWOCE-UHFFFAOYSA-N 369.406 1.137 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 96054602 PSOBKBDFYBAFAM-OWCLPIDISA-N 374.437 1.761 0 40 FDAB O=C(CCN1C(=O)c2cccnc2C1=O)Nc1ccc2c(c1)COC2=O 95479802 BIDQUGTYVSMSRU-UHFFFAOYSA-N 351.318 1.377 0 40 FDAB Cc1ccccc1CC(=O)N1CC2(C1)OCC[C@@H]2CCNS(C)(=O)=O 248145929 HQPKCVOENMYEAD-INIZCTEOSA-N 366.483 1.094 0 40 FDAB Cn1ccnc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccnc1)C2 248081359 ALGIZNWYNIMBQT-MRXNPFEDSA-N 355.442 1.226 0 40 FDAB CCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2ccc(F)cn2)C1 257318119 VMPFDZBUIBSSKM-HNNXBMFYSA-N 351.407 1.006 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCCC2 257334371 YFPRHYBXHNURGK-CQSZACIVSA-N 355.442 1.861 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](C2CCN(C(=O)c3ccc(O)nc3)CC2)N1 257287876 PRVHQRBQAJBVAD-BPUTZDHNSA-N 360.414 1.074 0 40 FDAB CCc1nnc([C@H]2C[C@@H](O)CN2C(=O)c2cc(O)nc(CC(C)C)c2)o1 1775959344 WQCHCXYYPBBJQX-ZIAGYGMSSA-N 360.414 1.879 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)N2CCCc3ccccc32)cn1 630651436 SMLROWWHKSRZPE-SJORKVTESA-N 354.410 1.822 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1 640874706 LLWMRKMFDQYYPT-OTWHNJEPSA-N 354.454 1.898 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnn(Cc2ccccc2)c1 643952973 HMGUIJFSPPXKBI-IBGZPJMESA-N 356.426 1.299 0 40 FDAB CCn1cc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cn1 656615453 AFHJOAKXMYJEGR-UHFFFAOYSA-N 354.457 1.670 0 40 FDAB CN1C(=O)N[C@@](C)(c2ccc(NCc3nnn(C(C)(C)C)n3)cc2)C1=O 657504794 KHKZLHPBTIDGRO-KRWDZBQOSA-N 357.418 1.437 0 40 FDAB Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)c2c(C)nn(C)c2n1 659201646 PXGWEODZSFVFRH-UHFFFAOYSA-N 356.386 1.854 0 40 FDAB CN1CCN(C(=O)c2ccc(NC(=O)[C@H](C(=O)O)C3CCCC3)cc2)CC1 663101059 GKUMNTBJUNCQHU-QGZVFWFLSA-N 373.453 1.904 0 40 FDAB C[C@@H](c1cccnc1)N1CCN(C(=O)Nc2ccnc(OCCO)c2)CC1 668122481 PJXVBZFHVRNSLQ-HNNXBMFYSA-N 371.441 1.758 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccc(C)s1)C2 585102852 KSZKHJIUNAGEKH-AWEZNQCLSA-N 358.529 1.977 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C 69591172 SDPQXJCPZLETBT-JSGCOSHPSA-N 361.442 1.416 0 40 FDAB Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]1CCNC(=O)C1 84090604 SKGPGRODXBXRCP-CYBMUJFWSA-N 361.467 1.649 0 40 FDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NC[C@H]1CCCO1)C2 85473806 NYFXRPNAVLVGBI-VXGBXAGGSA-N 351.472 1.558 0 40 FDAB C[C@H]1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CC[C@H]1O 19497761 MQGHKLWIBFAJMY-FBZXTUTASA-N 372.465 1.967 0 40 FDAB COc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 19572145 XQYVZVCHHNVUNB-GBESFXJTSA-N 354.454 1.347 0 40 FDAB CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 31874327 HHUNGTFOGPSSQV-CYBMUJFWSA-N 358.460 1.999 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565548612 GJFNTEDVIKRFKE-NHAYFPRASA-N 355.438 1.315 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(C(F)(F)F)s1 4593987 LYBFDKUYAROUQV-HSLWUYEYSA-N 372.328 1.303 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)c1 10334703 GOZPRDRMKNKNIM-ZDUSSCGKSA-N 354.428 1.878 0 40 FDAB O=C(c1cccc(Cl)n1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055747440 AGVDGCUETWIHJH-HOTGVXAUSA-N 358.829 1.855 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cnn(C)c2)C1 2055751378 PYKAQINDZPKJNI-IBGZPJMESA-N 355.442 1.595 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(C)cc1 26455814 IAZSHSDLZJISHE-INIZCTEOSA-N 361.467 1.825 0 40 FDAB CC(C)c1noc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 2086884591 QTBDYDKOIDUIGK-UHFFFAOYSA-N 373.461 1.142 0 40 FDAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2033819 IMMPMHKLUUZKAZ-WMZOPIPTSA-N 351.406 1.850 0 40 FDAB endogenous,in-man Cc1ccccc1NC(=O)CS(=O)(=O)Cc1nnnn1-c1ccccc1 40070225 POZDWWQADLGYEP-UHFFFAOYSA-N 371.422 1.524 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N[C@H](C)c1ccccc1 40159182 SVCXUJHQYKGSQF-OLZOCXBDSA-N 361.398 1.128 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 3322653 YVFWBFNLXYTRIG-ORAYPTAESA-N 359.426 1.812 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O 32674825 MMZFHNPSWQVZAD-OXJNMPFZSA-N 370.453 1.098 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4971452 DRPRKPROROKYHZ-UHFFFAOYSA-N 352.456 1.691 0 40 FDAB CCN(CC)CCCNC[C@@H](O)COc1ccc(C(C)=O)cc1OC 6052682 USPBMBYRWRKLSG-QGZVFWFLSA-N 352.475 1.959 0 40 FDAB CN(C(=O)OCCCC(=O)O)c1ccccc1C(=O)N1CCOCC1 6855062 JEZMQPZYNRFXJB-UHFFFAOYSA-N 350.371 1.597 0 40 FDAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 6944913 XEJCXYPCMPIVGQ-GFCCVEGCSA-N 358.460 1.775 0 40 FDAB COc1ccccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccn1C 32842434 GPWUFFHXUVIUPC-IUODEOHRSA-N 363.439 1.069 0 40 FDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1nnc2ccccn12 11915290 UCLGRAXPPGXIHR-AWEZNQCLSA-N 367.434 1.891 0 40 FDAB O=C(CCNC(=O)c1ccncc1)NC[C@H]1CCN(c2ccccc2)C1 52667313 SNBZWGMVMDTLTQ-MRXNPFEDSA-N 352.438 1.844 0 40 FDAB CCC(=O)Nc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 53663882 TXTDEBHFRGWOHW-UHFFFAOYSA-N 367.413 1.853 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)NCCC(=O)N2CCCCC2)cc1 54030990 OYOHXOWUYFFGSM-UHFFFAOYSA-N 361.442 1.334 0 40 FDAB CC[C@]1(c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)CCC(=O)NC1=O 54198537 XUWQTCKCBPFROM-HXUWFJFHSA-N 367.405 1.722 0 40 FDAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 23400548 RPISTFFQOBNKNO-AWEZNQCLSA-N 369.377 1.408 0 40 FDAB CCOCCCNC(=O)Cn1nc(CC)n2c(cc3oc(C)cc32)c1=O 57740335 PCKSEAIXWXXRAD-UHFFFAOYSA-N 360.414 1.656 0 40 FDAB C[S@](=O)c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1 54978721 OIUSISWKZPVQAU-RUZDIDTESA-N 354.435 1.994 0 40 FDAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC2(CC1)NC(=O)NC2=O 24464973 YQDDWRQCAYYPCT-SNVBAGLBSA-N 351.790 1.308 0 40 FDAB Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@H]2C(=O)O)c1 107214461 BNLPBKHPBIITBM-ZBFHGGJFSA-N 352.456 1.697 0 40 FDAB O=C(c1ncn2c(=S)n(C(=O)c3ccccc3)nnc12)N1CCCCC1 1408505 RWPJOMAGJQNURG-UHFFFAOYSA-N 368.422 1.970 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C(C)=O)c2nc(C)cc(C)n2)cc1 1437238 QHVURBGVGZKIQZ-UHFFFAOYSA-N 362.411 1.794 0 40 FDAB COc1cc(Br)c(CN[C@H]2CCS(=O)(=O)C2)cc1OC 34994444 MMUXDJTWZKDOIZ-JTQLQIEISA-N 364.261 1.743 0 40 FDAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)c1 57428030 HCCONGKMVUDWDC-UHFFFAOYSA-N 359.407 1.157 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(C)nn(C)c2C)c1 10030966 RNUYTMXQUIKJEB-UHFFFAOYSA-N 351.428 1.717 0 40 FDAB CC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl 8058261 QLMUJEBJIXDEDC-UHFFFAOYSA-N 369.668 1.905 0 40 FDAB CCCc1nc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)no1 58214655 FXKIPWUIMGXUOG-GOSISDBHSA-N 372.381 1.761 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 58305513 ZULJEPQCUMTBPL-CVEARBPZSA-N 359.474 1.456 0 40 FDAB NS(=O)(=O)c1cccnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 78674497 GCUFEADZRXYATH-CYBMUJFWSA-N 355.366 1.585 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O 12684020 VHXQFCNNJUBEKY-UHFFFAOYSA-N 372.425 1.628 0 40 FDAB C/C=C/Cn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12647503 XDTNWXDPFBPGRD-ONEGZZNKSA-N 370.434 1.974 0 40 FDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 25235532 NQELEDXUVDDKOM-UHFFFAOYSA-N 351.362 1.719 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2CCOC2=O)ccc1F 11466842 HOMMYHVBVYWJOY-GFCCVEGCSA-N 359.375 1.329 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCCO1 12779868 AOINJWKHVJLJMM-HNNXBMFYSA-N 352.456 1.656 0 40 FDAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1OC 12765772 MPLLSICYNHNEEK-HNNXBMFYSA-N 357.410 1.600 0 40 FDAB CCOC(=O)N[C@@H](C(=O)NCCC(=O)Nc1ccc(C)cn1)C(C)C 70011263 ZNQZWPCWZJYOEH-OAHLLOKOSA-N 350.419 1.606 0 40 FDAB CC(C)CCN1C[C@@H]2[C@@H](NC(=O)c3ccco3)CCS(=O)(=O)[C@H]2C1 306129421 ICKFRANWKBPKRI-YCPHGPKFSA-N 354.472 1.543 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 13136577 GJFKBBWRFAARTD-ZIAGYGMSSA-N 371.437 1.903 0 40 FDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ccccn2)c1 13250102 IRRYGBVQLVYFBY-UHFFFAOYSA-N 355.803 1.824 0 40 FDAB O=C(N[C@@H]1CCCc2ccccc21)C1=CC=CN2CCS(=O)(=O)N=C12 5279031 ONULFXNNIAPUIJ-MRXNPFEDSA-N 357.435 1.678 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC[C@H]2CCCO2)c1C 5326498 AIQPHPKQBKIFBQ-GFCCVEGCSA-N 352.387 1.260 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 6439190 JHYGJUALJSRRFZ-GFCCVEGCSA-N 355.412 1.422 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O 4515199 OYXJWJRKDQMNFU-PIGZYNQJSA-N 362.386 1.106 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)s1 14239893 QNAIGWMUNHDDIG-UHFFFAOYSA-N 367.452 1.191 0 40 FDAB O=c1oc2ccccc2n1CCS(=O)(=O)NCCOc1ccccc1 8749091 JTUFSMQEUBKKGN-UHFFFAOYSA-N 362.407 1.593 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1 8725060 HACQAHUZIKSYFK-UHFFFAOYSA-N 372.816 1.424 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC(=O)O 6624169 VQENLWAOLMDJHY-NHYWBVRUSA-N 373.413 1.181 0 40 FDAB biogenic COc1ccc2[nH]c(SCC(=O)Nc3nonc3NC(C)=O)nc2c1 8816180 ITLOGMQTFOKKOO-UHFFFAOYSA-N 362.371 1.644 0 40 FDAB COCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]c1=O 7348416 DYEJAMSEDKLMOY-UHFFFAOYSA-N 366.399 1.067 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NC[C@@H]1COc2ccccc2O1 7495515 GCHIAFBSUDCNQS-LLVKDONJSA-N 357.391 1.414 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)CC1=O 8981842 CHVLLXNLFOYSBV-LBPRGKRZSA-N 372.450 1.725 0 40 FDAB COc1ccc(CNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)cc1 9183751 OZAJBEKIWQOMBS-MRXNPFEDSA-N 353.378 1.145 0 40 FDAB CCc1nc2ccccc2n1C1CCN(CCN2C(=O)CNC2=O)CC1 93300815 PLIKKDFLGZGNDS-UHFFFAOYSA-N 355.442 1.787 0 40 FDAB CC(C)(C(=O)N[C@@H]1CCCc2cn(CC(N)=O)nc21)c1ccc(F)cc1 96002882 LBVXDYGBEIANNX-OAHLLOKOSA-N 358.417 1.979 0 40 FDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cc4ccccn4c3)C2=O)n(C)n1 72539899 MUEOKOORAGDEIA-MRXNPFEDSA-N 351.410 1.907 0 40 FDAB CCOC(=O)[C@H](NCC(=O)NCCCN1CCCCCC1=O)[C@@H](C)CC 95466660 FFTQRTMUODXBII-MAUKXSAKSA-N 369.506 1.463 0 40 FDAB Cc1c(C(=O)N2CCC3(C2)OCCO3)cnn1CCO[C@@H]1CCCCO1 95442820 JHMBBUYNHURBSX-MRXNPFEDSA-N 365.430 1.324 0 40 FDAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)NC(C)C 408700849 MXHQRJHUOXCGSA-CQSZACIVSA-N 370.471 1.681 0 40 FDAB CCn1nc(C(=O)NCc2cccc(NC(=O)NC3CC3)c2)ccc1=O 95957371 HWCHSBNZZFCINX-UHFFFAOYSA-N 355.398 1.477 0 40 FDAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 65365691 SDVUDNSZYQHVDV-JJRVBVJISA-N 364.467 1.626 0 40 FDAB COc1cccc(OCCc2cc([C@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)c1 72371613 DVIHMNQGDLSDRD-HNNXBMFYSA-N 372.469 1.917 0 40 FDAB COc1c([C@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc2c(c1OC)OCO2 35326529 NSQKFLDFACNKPV-LBPRGKRZSA-N 371.349 1.534 0 40 FDAB COC(=O)[C@H](C)N(C(=O)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 32641376 ZPHPTHUEDKGWNP-ZFWWWQNUSA-N 353.440 1.196 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)NC[C@H]1COc2ccccc2O1 31036869 MOKZKGIEWRAGAL-AWEZNQCLSA-N 370.405 1.771 0 40 FDAB Cc1nc(NC(=O)c2ccc(-n3cccn3)nn2)sc1C(=O)N(C)C 70641236 DANWTRGQGZYZRW-UHFFFAOYSA-N 357.399 1.381 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 15953784 UBGWGSLTOWNMSA-QLFBSQMISA-N 361.442 1.565 0 40 FDAB biogenic COc1ccc2nnc(CCC(=O)Nc3nnc(CC(C)C)s3)n2n1 71288113 UNYSRQKPRUZEMU-UHFFFAOYSA-N 361.431 1.754 0 40 FDAB C[C@@H](NC(=O)c1ncn(C)n1)c1ccc(NC(=O)c2ccncc2)cc1 568335575 BMUUFAAFFSYDLA-GFCCVEGCSA-N 350.382 1.953 0 40 FDAB CC(C)CNC(=O)c1ccc2nnc([C@@H]3CCN(C(=O)N(C)C)C3)n2c1 96156279 BUCZZEOPBMPHEJ-CYBMUJFWSA-N 358.446 1.586 0 40 FDAB Cc1cc(C)n(CCCNC(=O)COCc2nc(-c3cccnc3)no2)n1 96182062 CMNDRJILBWPSBW-UHFFFAOYSA-N 370.413 1.668 0 40 FDAB CCN1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)C(C)C)CC[C@@H]12 96145324 RSSSCYASISUDCG-VQIMIIECSA-N 351.491 1.204 0 40 FDAB O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 583623222 ZGOGDRMEGOPMPT-MCIONIFRSA-N 371.459 1.656 0 40 FDAB CCc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)nn1 579326468 PJDLJEBYKNXQGG-ZDUSSCGKSA-N 367.413 1.673 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1cccnc1)C2 96061951 MXPMPTQGWAWPAQ-UHFFFAOYSA-N 350.426 1.562 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)c1cnccn1 247368949 GOTAVAMWDPHDIU-QGPMSJSTSA-N 356.401 1.493 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ccccc3)CC2)CC1 257221717 DQGFNLFFTNPGAW-OAQYLSRUSA-N 373.497 1.644 0 40 FDAB Cc1noc(C)c1CC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257298536 RMDHXVSZAZEAMJ-MRXNPFEDSA-N 357.401 1.528 0 40 FDAB O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257212658 CEJLROVDIIPTDN-MSOLQXFVSA-N 365.433 1.926 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc(C(N)=O)n1 257237991 HJDBLHMICHZQAK-CYBMUJFWSA-N 358.467 1.969 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1cccc(OC)c1 257325281 WSGJADRSIMCMGX-MJGOQNOKSA-N 359.470 1.817 0 40 FDAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCCN4CCCC4=O)[C@H]32)Oc2ccccc21 253616768 WWMFRIHLOWXDTR-MMCAFHBRSA-N 368.433 1.785 0 40 FDAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1C 257281995 ORVKEEOSHFCPGL-CQSZACIVSA-N 365.441 1.939 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1cnccn1)CC[C@H]2O 257312587 UOQXBPVOGZGWCS-BQJUDKOJSA-N 366.465 1.674 0 40 FDAB CCS(=O)(=O)NC1CCN(C(=O)N[C@@H](COC)c2ccc(C)o2)CC1 266919894 CAQMVEKVBOOHSZ-AWEZNQCLSA-N 373.475 1.389 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2cc(C)ccc2C)C1 260885985 BWNLLRBUCKGVME-INIZCTEOSA-N 368.499 1.860 0 40 FDAB COCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1C 548574687 YVWHTPKOIYVQNZ-CYBMUJFWSA-N 357.428 1.506 0 40 FDAB COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H](C)N1C(=O)CCC1=O 609118913 KFFIGVAEGUZWSE-SNVBAGLBSA-N 374.418 1.842 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)cc(Br)c1 643939506 LKECGWWXNHMOAK-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CN1 657210180 CQWPZKVBBDZZPB-CJNGLKHVSA-N 356.426 1.722 0 40 FDAB CO[C@H]1CCC[C@H](CC(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)C1 668295162 KUNDGMXMJFHDHN-JSGCOSHPSA-N 350.419 1.735 0 40 FDAB CN(C[C@H]1CCCN(c2ncc(Br)cn2)C1)S(C)(=O)=O 672321006 HUFFADNZBXGTML-SNVBAGLBSA-N 363.281 1.347 0 40 FDAB COC(=O)COc1ccc(NC(=O)N[C@@H]2CCOC[C@H]2O)cc1Cl 599765427 KJHWYDPFKTTWAC-VXGBXAGGSA-N 358.778 1.163 0 40 FDAB Cn1cc(N2C[C@]3(CCCN(Cc4cnc(Cl)cn4)C3)C2=O)ccc1=O 585099721 ZZYOFYMIFOBJLU-GOSISDBHSA-N 373.844 1.458 0 40 FDAB CC(C)C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)C(=O)N(C)C 43080940 IRFJQAQBRWGIHF-HNNXBMFYSA-N 363.458 1.802 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)NC[C@H]3Cc4ccccc4O3)ccc2c1=O 47306127 SSSYGWWGTCTIGP-CQSZACIVSA-N 365.389 1.443 0 40 FDAB O=C(CN1CCN(C(=O)CCc2ccccc2)CC1)Nc1nccs1 58278204 DPOCVYPZZUZYJC-UHFFFAOYSA-N 358.467 1.859 0 40 FDAB CC[C@@H]1CN(C(=O)c2cccc(C)c2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594952 KFEWKOOSHGIPKW-MISYRCLQSA-N 359.514 1.702 0 40 FDAB CCOCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582696 HAPZOYZAEVXZAZ-UHFFFAOYSA-N 374.459 1.256 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C)c1 15919087 OSBQLGIHHFWBJT-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB CC(=O)N1CCc2c(O)nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)nc2C1 19019058 GJDVWPOBCRNHGH-GJZGRUSLSA-N 370.453 1.759 0 40 FDAB Cc1cc(O)n2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc2n1 19117179 FLDXNMOBIBTXRW-UHFFFAOYSA-N 355.402 1.131 0 40 FDAB Cc1cccc(CNC(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)n1 19750013 FVPUKVCFCVGXNC-UHFFFAOYSA-N 368.437 1.541 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1cccnc1N1CCOCC1)C2 161955690 MKWGGPJEANVOHH-CQSZACIVSA-N 355.442 1.371 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1C(=O)O 35303070 RHIBUGCKJPJLIL-CYBMUJFWSA-N 355.232 1.957 0 40 FDAB Cn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O 31184312 HCBQVYJKGCWPRF-UHFFFAOYSA-N 352.350 1.050 0 40 FDAB COCCN1C(=O)C[C@H]2[C@H](CNS(=O)(=O)c3ccccc3)[C@@H](C)C[C@H]21 1775964425 SFJWKYQPJOFKHN-QMCVQRASSA-N 366.483 1.484 0 40 FDAB biogenic,in-vitro O=C(CN1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1)N1CCCC1 1614939288 NUGHDZJBWHSFBU-NRFANRHFSA-N 371.481 1.360 0 40 FDAB CC(C)N1CC[C@H](N2CCN(c3nccc(-c4ccccn4)n3)CC2)C1=O 2086903799 CEQROJKSRFMSJL-SFHVURJKSA-N 366.469 1.670 0 40 FDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3csnn3)CCO2)C1=O 1565549525 YYEZLXHBVLLUJG-CXAGYDPISA-N 358.423 1.005 0 40 FDAB O=C(O)CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 8844964 ODRKVQSENVTCFL-IBGZPJMESA-N 373.409 1.357 0 40 FDAB COc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nn1 12440283 RVHQTSBOSIBHBR-UHFFFAOYSA-N 366.377 1.554 0 40 FDAB O=C(NC1CCCCC1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23105361 AYMXVZCQAARCMT-UHFFFAOYSA-N 373.453 1.508 0 40 FDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(C(=O)NC(C)C)C[C@H]4C3)ncn2)n1 2086889817 MSOUSRHLMPNKJZ-IYBDPMFKSA-N 369.473 1.765 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 225405677 ICIZTFSBLSAEMT-ZDUSSCGKSA-N 370.409 1.607 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NCC1CCN(c2ccccn2)CC1 43941359 GCWYSHHRTQBJOJ-UHFFFAOYSA-N 366.465 1.773 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 79313584 HTLJIRVYNAJEFE-GJZGRUSLSA-N 358.446 1.426 0 40 FDAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(=O)[nH]n1 31815253 KNBWEKIRXWDZDI-UHFFFAOYSA-N 353.469 1.905 0 40 FDAB CCc1sc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1C 29460617 FKSZUPKEYXHQHD-UHFFFAOYSA-N 373.482 1.488 0 40 FDAB COCc1nc(C(=O)NS(=O)(=O)N2CCCc3ccccc32)cs1 69419999 GYFCHLFAYBLXEU-UHFFFAOYSA-N 367.452 1.717 0 40 FDAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)Cc1cnn(C)c1 32540005 KWBHNTQMESIMAM-QGZVFWFLSA-N 355.486 1.585 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(CC(N)=O)cs3)CC2=O)cc1 21495567 XSJJIINQZVUEHZ-NSHDSACASA-N 358.423 1.471 0 40 FDAB CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1 4873599 PYAKWYSDMQNYRC-MRXNPFEDSA-N 360.437 1.755 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H](C)C1 6153186 AUWMGLBEMFWDMO-CQSZACIVSA-N 366.483 1.888 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 32914973 HOKSYFGUYMDWQA-QWRGUYRKSA-N 362.398 1.134 0 40 FDAB COc1cccc(CN2CCN(CC(=O)Nc3nnc(C)s3)CC2)c1 22923049 HKSBAUAWBLUOBD-UHFFFAOYSA-N 361.471 1.611 0 40 FDAB O=C(CN1CCN(Cc2ccccn2)CC1)NCCc1ccc(F)cc1 23352989 QKHVLJLKTTZMFU-UHFFFAOYSA-N 356.445 1.697 0 40 FDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 43056797 VMZXQRCQWRFFHV-OAHLLOKOSA-N 353.426 1.208 0 40 FDAB Cc1nn(CC(=O)NCCc2ccc3c(c2)OCO3)c(=O)c2ccccc12 21303162 FZCFDQYKZUTOQB-UHFFFAOYSA-N 365.389 1.793 0 40 FDAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)CCSc2nnnn2C)cc1 57090976 LALDNFXBHLTDCH-LLVKDONJSA-N 362.459 1.918 0 40 FDAB O=C(NCCNc1cnccn1)NCc1cccc(Cn2cccn2)c1 57257427 JATLRDYFMICSAU-UHFFFAOYSA-N 351.414 1.633 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCN(c2ncccn2)CC1 12549045 SZBOQGBBWGGJIX-HNNXBMFYSA-N 354.458 1.692 0 40 FDAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)C(=O)N(C)C3=O)cc2)nc1 12528535 AIAFSJQGHHTLAH-UHFFFAOYSA-N 352.350 1.563 0 40 FDAB C[S@@](=O)c1ccc(C(=O)NCCc2nnc(S)n2C2CC2)cc1 109058848 TZQANOSFENYAGQ-QHCPKHFHSA-N 350.469 1.612 0 40 FDAB Nc1nc(CN2CCN(C(=O)CC[C@@H]3CCOC3)CC2)nc2ccccc12 177830143 WVNHKQIEMZDUEY-OAHLLOKOSA-N 369.469 1.673 0 40 FDAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1 2466736 HFAHKHKXCYGZLJ-UHFFFAOYSA-N 355.419 1.836 0 40 FDAB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc(C(N)=O)c1C 2486623 XGWGLUQSFGODKH-IUCAKERBSA-N 366.395 1.548 0 40 FDAB C[C@@H]1CCc2c(sc3nc(CC/C(O)=N/S(C)(=O)=O)[nH]c(=O)c23)C1 48480016 JVLPEYNTOJVWMM-MRVPVSSYSA-N 369.468 1.958 0 40 FDAB Cc1[nH]c(=O)c(I)cc1I 38538282 SWTNOEZVLBPWNC-UHFFFAOYSA-N 360.920 1.893 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c1C 13986045 FZTPSCSDEFCDFS-MRVPVSSYSA-N 350.293 1.642 0 40 FDAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1C 6435884 JHCYEOMVIAFFPN-LBPRGKRZSA-N 363.414 1.694 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 14201664 JKQCUJGBSIALIY-CWRNSKLLSA-N 361.394 1.388 0 40 FDAB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)c1c[nH]c2ccccc12 14231100 WRMBZXKHJBYIIB-ABAIWWIYSA-N 364.423 1.706 0 40 FDAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408595009 RPVRURPPMGTCSA-UWVGGRQHSA-N 364.851 1.167 0 40 FDAB C[C@@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NC1CCCC1 7223916 UYLQOAMBDIPVAH-CYBMUJFWSA-N 360.410 1.793 0 40 FDAB CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1cnc3ccccc31)C2 67975553 XEWTVEAMVFRJQG-UHFFFAOYSA-N 367.409 1.926 0 40 FDAB CC[C@H](NC(N)=O)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7785178 KHISIUHQMVBREN-JTQLQIEISA-N 364.427 1.125 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2cccs2)cc1 8035378 FJZVIEXEDHUGDG-UHFFFAOYSA-N 366.464 1.717 0 40 FDAB O=C1CN(c2ccc(NC(=O)c3cc(-c4cccnc4)on3)cn2)CCN1 71795552 IXJZAUAOECDMQD-UHFFFAOYSA-N 364.365 1.320 0 40 FDAB CN1CC2(CCN(Cc3ccco3)CC2)Oc2ncccc2S1(=O)=O 306133474 MMQNRJOKZZYXTL-UHFFFAOYSA-N 363.439 1.722 0 40 FDAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 408550808 FIHINWQDWLPSOA-UHFFFAOYSA-N 357.366 1.397 0 40 FDAB O=C(O)CCCCCN(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217375816 CSZIXIFYALUMAN-MRXNPFEDSA-N 367.467 1.890 0 40 FDAB C1CCc2nnc(CNc3nc(C4CC4)nc4c3CCNCC4)n2CC1 72438312 BLDVLYAGFMQXHC-UHFFFAOYSA-N 353.474 1.972 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC(=O)NCC(C)C)c1 39589600 HPFJKQIOUZZXRD-UHFFFAOYSA-N 363.414 1.058 0 40 FDAB CCn1cc(C(=O)N2CCc3nc4ccccc4c(=O)n3CC2)c(C)n1 72347925 OZLAAHXYFKZAJF-UHFFFAOYSA-N 351.410 1.620 0 40 FDAB CCc1nc([C@@H]2CN(C(=O)[C@H]3CCCN3c3ccccc3)CCO2)n[nH]1 329890818 GVIPMZOGBRVSET-CVEARBPZSA-N 355.442 1.936 0 40 FDAB CCCCS(=O)(=O)N(C)CC(=O)Nc1c(C)nc(N(C)C)nc1C 224298534 GDVFKJCPCVICGR-UHFFFAOYSA-N 357.480 1.160 0 40 FDAB O=C(COc1ccc(Cl)cc1)NCc1ccnc(N2CCOCC2)n1 224217651 VYAXCMOQAIGWMJ-UHFFFAOYSA-N 362.817 1.662 0 40 FDAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)O 49545936 DIYQOSOVHZMXHQ-HNNXBMFYSA-N 361.373 1.665 0 40 FDAB Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccc3c(c1)OCO3)C2 96084488 LKFZJHHWYQOQNK-UHFFFAOYSA-N 351.366 1.550 0 40 FDAB O=S(=O)(N[C@@H]1CCO[C@]2(CCN(CC3CC3)C2)C1)c1ccccc1 96206581 WZGOIMKIUKUUIZ-SJLPKXTDSA-N 350.484 1.998 0 40 FDAB C[C@@H]1C(=O)[C@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@@H]1[C@H]3O 245239226 GPITUBGISIVOSF-XYLMRTJYSA-N 352.471 1.118 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)no1 248007091 CIYKHZXXKORDHH-CQSZACIVSA-N 359.430 1.128 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccc(C)n(C)c1=O 257273356 NGEXEOPOTGZCHX-HNNXBMFYSA-N 356.426 1.266 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccccc1F 257235839 GZTIPMIMPQSCDQ-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@H]1c1ccnc(CNC(C)=O)c1 257331107 XRJJTDCKUCFZFN-KRWDZBQOSA-N 355.442 1.840 0 40 FDAB CC1(C(N)=O)CCN(C(=O)c2cccn(Cc3ccccc3F)c2=O)CC1 257220175 DJWAALKGDLYRKP-UHFFFAOYSA-N 371.412 1.763 0 40 FDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2CC(=O)N(C)C)n1 257204504 AUXUJWQMWGZHRC-OAHLLOKOSA-N 355.446 1.934 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)C[C@@H](C)O1 42168967 PBOWNRASUWZIMH-ZIAGYGMSSA-N 369.487 1.847 0 40 FDAB COc1cc(S(=O)(=O)N(C)c2c(C)noc2C)cc(C(=O)O)c1OC 608760889 PHZLRRDKIJNEOG-UHFFFAOYSA-N 370.383 1.832 0 40 FDAB CC[C@@H](NC(=O)NCC1(O)CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 363858360 VEMKYRADPXXAAJ-MSOLQXFVSA-N 361.486 1.880 0 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O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCN(C(=O)C4CCC4)C3)nc2C1 19014454 JQSWKTQPKYKOMB-AWEZNQCLSA-N 370.453 1.593 0 40 FDAB NC(=O)Cn1cc(CN2CCCC[C@@H]2CN2CCOCC2)c2ccccc21 19376110 JXPSUVXTFIXXLR-GOSISDBHSA-N 370.497 1.813 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1 19557048 SHKBBAVWIJCFML-AWEZNQCLSA-N 359.411 1.659 0 40 FDAB COc1ncc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)cn1 19571985 XSTOKAODBOOGOM-NSHDSACASA-N 351.366 1.351 0 40 FDAB Cc1nonc1-c1csc(NC(=O)CN2CC(=O)Oc3ccccc32)n1 19660891 KGYKVGIYLDQWJC-UHFFFAOYSA-N 371.378 1.866 0 40 FDAB Cn1cc(S(=O)(=O)N[C@H](CCN2CCOCC2)c2ccccc2)cn1 19716043 JIEZLTACKSHOGH-QGZVFWFLSA-N 364.471 1.162 0 40 FDAB Cc1ccc(O[C@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nn1 225463044 KXKWISLXBAKNEV-HNNXBMFYSA-N 357.414 1.029 0 40 FDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1ccc(C)nc1 643551103 JIIHBZFPOWEYQC-OXJNMPFZSA-N 359.470 1.997 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(Cl)s1 575615854 GYQLPUDIPSASIA-LLVKDONJSA-N 362.904 1.783 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCCc2ccccc2F)cc1 16233370 NOPZNFOKMHQJLY-UHFFFAOYSA-N 364.442 1.890 0 40 FDAB Cc1ncnc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1F 1888854679 PTFDBSGYZQOCPO-HNNXBMFYSA-N 358.373 1.413 0 40 FDAB Cc1nccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 1188170858 DDRCLCROZDCJOY-UHFFFAOYSA-N 366.421 1.823 0 40 FDAB COc1ccc2nnc(CNC(=O)c3ccc(OC4CCCC4)nc3)n2n1 244909740 ATKPNAXMJFOQQZ-UHFFFAOYSA-N 368.397 1.779 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)CC1 245180673 ZFYAUFAZVGHRKC-UHFFFAOYSA-N 372.830 1.780 0 40 FDAB COc1cc(C)ccc1CN1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037983721 DBKZKTPEWVUTIE-HXUWFJFHSA-N 362.470 1.842 0 40 FDAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)N(C)c4ccccc4)cnc32)c1 4341833 RVXJNHFRBPABDY-UHFFFAOYSA-N 374.404 1.949 0 40 FDAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NC[C@@H]1CCCO1 4376998 SFMFHTPTOOTSFK-ZDUSSCGKSA-N 370.438 1.574 0 40 FDAB COc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1OC 8954567 XVRAXDJBISRMHB-UHFFFAOYSA-N 369.377 1.951 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCCCCC1 10233888 CHWKYVQCBHTOPH-UHFFFAOYSA-N 372.473 1.179 0 40 FDAB Cc1cccnc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730025 RYGPLUUKAZSKIK-LBPRGKRZSA-N 350.444 1.074 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccsc2)cc1 618255483 QTBWBMXJBLRLAY-MRXNPFEDSA-N 368.480 1.979 0 40 FDAB Cc1nnc2ccc(N3CCC(Oc4ccn5nccc5n4)CC3)nn12 2298230531 AVDBZHLTRRHCQR-UHFFFAOYSA-N 350.386 1.523 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)NC[C@H]1CCCO1 4853678 FHEMMVPKLWOIGY-SNVBAGLBSA-N 373.431 1.324 0 40 FDAB C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cccs1 75155901 NATZAADEJUQSBS-MRXNPFEDSA-N 353.465 1.936 0 40 FDAB CC(C)Cc1noc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n1 40050452 OKVWHFWNHOEPPU-NSHDSACASA-N 350.444 1.867 0 40 FDAB COC(=O)Cc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 40161906 QEHCFYBCHYPETN-MRXNPFEDSA-N 371.389 1.737 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)C2CCN(C(=O)NC3CC3)CC2)C1 40106442 XXMVQXBZOXEFQR-ZIAGYGMSSA-N 365.474 1.618 0 40 FDAB O=C(COC(=O)c1ccc(O)cc1O)NCCN1CCCc2ccccc21 50495199 GYNUXPSSNZPZDI-UHFFFAOYSA-N 370.405 1.824 0 40 FDAB NC(=O)c1cccc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)c1 46179508 JJKVYQFZOVQBIP-UHFFFAOYSA-N 358.419 1.290 0 40 FDAB CCCc1n[nH]c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 11807912 AFPLYPBKABURMX-UHFFFAOYSA-N 366.447 1.135 0 40 FDAB Cc1cc(C)cc(OS(=O)(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 1793916 RWVDJPJWIZBBFM-UHFFFAOYSA-N 366.439 1.877 0 40 FDAB CC(C)C[C@@H](C(=O)N(C)Cc1cnn(C)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102012339 GTNHWHLLJKXUEF-BBWFWOEESA-N 372.469 1.744 0 40 FDAB CCCCn1nnnc1COC(=O)c1cc(S(C)(=O)=O)ccc1C 32741719 HGYLUVFUGXEHLF-UHFFFAOYSA-N 352.416 1.542 0 40 FDAB O=C(Nc1ncn[nH]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4983250 ROSCJMVMCFHXKU-UHFFFAOYSA-N 369.834 1.498 0 40 FDAB Cc1ccn2c(=O)cc(COC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 12094824 CUZFTPXCQRAIHD-UHFFFAOYSA-N 372.402 1.763 0 40 FDAB Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1=O 32936122 MMUVZBKIESZWFL-UHFFFAOYSA-N 353.422 1.278 0 40 FDAB COc1cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(OC)c1OC 102697877 NCHXKAWMCKUMQO-BETUJISGSA-N 374.393 1.602 0 40 FDAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8132805 PEYXLBJMRVKEGX-OAHLLOKOSA-N 366.439 1.550 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(C)s1 21890064 YKNPHPXDGIRRCV-UHFFFAOYSA-N 373.500 1.123 0 40 FDAB Cc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 8605373 VNIUNNVXLONVMU-UHFFFAOYSA-N 372.406 1.241 0 40 FDAB COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 9480298 LTODQTGKERPKGG-UHFFFAOYSA-N 371.345 1.675 0 40 FDAB NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 783801 QJZXPWFLIZWUAI-SFHVURJKSA-N 358.781 1.633 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1 22739048 FDWYJFNXQJPTAF-UHFFFAOYSA-N 362.407 1.531 0 40 FDAB CSc1nc(O)cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 22786267 XERBDPRHUGOTPV-UHFFFAOYSA-N 374.466 1.951 0 40 FDAB COc1cccc2c1OC[C@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 77311296 OAPIZHBXVNFCAM-CQSZACIVSA-N 365.389 1.525 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)n1 108526639 SYRBAMNXUQKSJK-UHFFFAOYSA-N 353.426 1.470 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1 20673418 YMUCHZFKZBKHSS-QMMMGPOBSA-N 360.226 1.803 0 40 FDAB CC(C)[C@H](C(=O)NCCC(=O)Nc1ccccn1)N1C[C@H](C)O[C@H](C)C1 106153856 OTWLHXKMWPPDSM-RVKKMQEKSA-N 362.474 1.660 0 40 FDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCc1ccc2c(c1)OCO2 24958518 QPRJBPKVKXNQQF-UHFFFAOYSA-N 366.370 1.856 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCOC[C@H]1CCCO1 100217271 NTBFBSRAXVOIKS-WWRLMZBVSA-N 372.421 1.386 0 40 FDAB O=C(c1ccccc1O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617301 VSBWPWRWXVWOAM-UHFFFAOYSA-N 370.434 1.420 0 40 FDAB CCNC(=O)NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 58169179 OVRBMDFKZTZVSP-OAHLLOKOSA-N 360.458 1.170 0 40 FDAB O=C(C1CC1)N1CCC(NS(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 58195043 VYVUZLYAUNCNAV-UHFFFAOYSA-N 374.466 1.552 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1 58201670 OVKXARBMKZRAAX-UHFFFAOYSA-N 351.794 1.389 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C[C@@H](C)O1 48289851 LKYLRXXOGAESAL-GASCZTMLSA-N 368.503 1.516 0 40 FDAB COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OCC(N)=O 48287014 XVMKCTMAZVQQON-UWVGGRQHSA-N 356.806 1.462 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(c3nccs3)CC2)C1=O 11188149 ICPRVAVMZWEDFB-CYBMUJFWSA-N 372.450 1.606 0 40 FDAB CCOC(=O)[C@](NC(=O)c1ccccc1)(Nn1cnnc1)C(F)(F)F 2421040 XOTJLBYTKXNDTH-ZDUSSCGKSA-N 357.292 1.073 0 40 FDAB biogenic CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 48324122 IEZCBDNLZBUGLG-UHFFFAOYSA-N 373.417 1.747 0 40 FDAB CS(=O)(=O)c1ccc(OCCCSc2nc(N)cc(N)n2)cc1 62693963 JFECWGCTXYWMMB-UHFFFAOYSA-N 354.457 1.606 0 40 FDAB CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 3516701 QQZWHKXRGRDUBZ-LJQANCHMSA-N 368.393 1.453 0 40 FDAB O=C(O[C@@H]1CCS(=O)(=O)C1)c1cnn(Cc2ccccc2Cl)c1 65494071 HARJBFVYVCAGQM-CYBMUJFWSA-N 354.815 1.929 0 40 FDAB COc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc(OC)c1OC 6421570 SLXIAHGZVWCFDK-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB COC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 4608227 FUGIJHMCGBQTNH-AWNIVKPZSA-N 374.374 1.935 0 40 FDAB C[C@H]1CN(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)C[C@H](C)O1 5993014 RDUDQXJOCDOYKH-QWRGUYRKSA-N 369.347 1.995 0 40 FDAB CCCN(C(=O)CCn1c(=O)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 18698705 CANSKTQCKJNDEP-CYBMUJFWSA-N 366.439 1.410 0 40 FDAB CCCn1c(S[C@@H](C)C(=O)NCCc2ccc(OC)cc2)n[nH]c1=O 7364869 LEKKKXOBCLHMKF-LBPRGKRZSA-N 364.471 1.830 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN(C)Cc1ccccc1 7425505 YCFDJFISTUONNG-UHFFFAOYSA-N 366.425 1.116 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)cc2)C1=O 15843100 YWBCCPGHYGTKGO-UHFFFAOYSA-N 373.434 1.714 0 40 FDAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)N1CCN(C)CC1 93173503 UGZYKCSSYXDBIM-PBHICJAKSA-N 351.878 1.876 0 40 FDAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC(N3CCCC3)CC2)C1 96005260 PAFHSSJZBXQHHJ-UHFFFAOYSA-N 369.531 1.277 0 40 FDAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)NC(C)C)c12 97134616 XYMBYQUKJCSSTR-UHFFFAOYSA-N 360.370 1.800 0 40 FDAB Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)nc2nc(O)[nH]c(=O)c12 74678052 MVIXMYACBPKQNO-CQSZACIVSA-N 364.405 1.962 0 40 FDAB CCOc1ccc(OCCNC(=O)CN[C@](C)(CC)CC(=O)OC)cc1 75110468 BBIUMIYKLUKLBP-LJQANCHMSA-N 366.458 1.902 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)N3CCCC[C@@H]3CC(N)=O)c(C)n2n1 89610764 QPXSOAJUBVTMFQ-OAHLLOKOSA-N 357.458 1.844 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)no1 67316984 KVRYVTYZNLZNQR-UHFFFAOYSA-N 374.426 1.778 0 40 FDAB Cn1cccc1C(=O)NCCNC(=O)c1cc(Br)ccc1O 23003323 WVOUBXUTWIDUIR-UHFFFAOYSA-N 366.215 1.653 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306140742 VCVZPPFHNNWOCH-OXQOHEQNSA-N 374.485 1.665 0 40 FDAB CO[C@]1(C)C[C@@H](NC(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)C1(C)C 555897279 VWAABTJMZBAGDT-ZBQZNYHESA-N 360.458 1.078 0 40 FDAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)Nc1nncs1 409138071 ZPEAUPQUXMDXNQ-UHFFFAOYSA-N 374.407 2.445 0 40 FDAB NC(=O)c1ccc(NC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1 36358263 QKPFEFSFWOXOJT-UHFFFAOYSA-N 354.395 1.564 0 40 FDAB COCCn1cc([C@H]2[C@H](CN[C@@H]3CCOC3)CC(=O)N2C(C)(C)C)cn1 509067022 JMDBCUXKHKJCPU-YXJHDRRASA-N 364.490 1.596 0 40 FDAB Cc1cccnc1CNC(=O)c1cccn(CC(=O)NC2CCCC2)c1=O 72344598 GUVOCIHTDVFEAJ-UHFFFAOYSA-N 368.437 1.541 0 40 FDAB CCn1ncc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)c1C 72347103 YRPAKMCYHQWFON-UHFFFAOYSA-N 368.441 1.419 0 40 FDAB CC(C)CN1C[C@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CCN2C1=O 559213830 UDLFPPZTUXUWDG-MRXNPFEDSA-N 368.441 1.690 0 40 FDAB COC(=O)c1sc(NC(=O)c2cnc3scc(C)n3c2=O)nc1C 79486097 QWVCFOWSPSUVHX-UHFFFAOYSA-N 364.408 1.868 0 40 FDAB CS(=O)(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1 82238033 HGZXTDIBSYRBLU-UHFFFAOYSA-N 351.409 1.353 0 40 FDAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 583615846 DBPUCWISIXLEFT-HOTGVXAUSA-N 373.519 1.544 0 40 FDAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3c(C)nn(C)c3C)OCC(=O)N2C)cc1 96181404 RYDZDGREMDDDAJ-ROUUACIJSA-N 356.426 1.882 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1cccnc1 96232587 TXESZCZCVCXNHN-HNNXBMFYSA-N 372.812 1.862 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181365 FTDNUKCOFGJICK-SJLPKXTDSA-N 373.453 1.815 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106788 RLNGGWGIOHSLBN-INIZCTEOSA-N 356.426 1.796 0 40 FDAB CN1CC[C@@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 248117770 JCNKSOWBOGQWEJ-MRXNPFEDSA-N 365.499 1.593 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 252514989 FQVVFNIRUDSZMG-SOLBZPMBSA-N 362.403 1.698 0 40 FDAB Cc1cc(F)ccc1CC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257282682 OUUGHMVKFYLXCP-LJQANCHMSA-N 358.417 1.566 0 40 FDAB CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 585091964 VLLUHUKBODQFSY-GJZGRUSLSA-N 366.462 1.401 0 40 FDAB Nc1ccc(/C=C/c2ccc(O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 255189999 UHYIJQMSMZRYPK-OWOJBTEDSA-N 371.392 1.638 0 40 FDAB Cc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)oc2ccccc12 257295887 RAHDEWGPQAXZLN-IIDMSEBBSA-N 371.437 1.137 0 40 FDAB COc1nc(OC)nc(N2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)n1 257210536 BVBUKTBDTNUDKO-CQSZACIVSA-N 358.402 1.261 0 40 FDAB C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 289380278 LCSNIGAWFMGOQT-DZOHQFGASA-N 358.486 1.134 0 40 FDAB Cc1noc([C@H]2CN(CC(=O)N3CCc4ccccc4C3)C[C@@H](C)O2)n1 625905651 BGZSGDILFFOWTI-CXAGYDPISA-N 356.426 1.725 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)c2c(C)n[nH]c2n1 653183687 IKQRXOBABQHDOA-OFQRWUPVSA-N 357.458 1.933 0 40 FDAB CNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1 677419491 JNQSYDWRRLBOOR-ZFWWWQNUSA-N 351.403 1.441 0 40 FDAB CC(C)c1nnc(COC2CN(C(=O)[C@@](C)(O)Cc3ccccc3)C2)o1 606445825 RSRQCSDSNPUAEO-IBGZPJMESA-N 359.426 1.914 0 40 FDAB O=C(Nc1ccc2c(c1)COB2O)c1ccc(=O)n(-c2ccccc2F)c1 1776002813 FHFSRNPQPIIGHR-UHFFFAOYSA-N 364.141 1.447 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1 96098839 TYGUUBNGYQIQMF-UHFFFAOYSA-N 360.443 1.274 0 40 FDAB CN(C)N(C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575421833 RWHMIEMNYPPZIM-ROUUACIJSA-N 360.479 1.713 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 585112683 VEKMBLXXBGOICT-MRXNPFEDSA-N 364.471 1.388 0 40 FDAB CN1C(=O)N[C@@](C)(c2ccc(NC3CCN([C@H]4CCOC4)CC3)cc2)C1=O 585091321 KHVSCBJVMVRQPP-PXNSSMCTSA-N 372.469 1.749 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)CC1 57272428 IVIQXGQPDJZGEE-OAHLLOKOSA-N 363.483 1.918 0 40 FDAB O=C(CCNC(=O)[C@H]1CCCN1)N[C@@H](CO)c1ccccc1C(F)(F)F 1122339913 IGKHJDISYYYJTG-KGLIPLIRSA-N 373.375 1.113 0 40 FDAB Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@@H]2C(N)=O)CC1 79845216 UWQQCOXKJSLBGZ-LJQANCHMSA-N 372.513 1.369 0 40 FDAB Cc1cccc(CC(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c1 12181465 LMTUAAUMUMKHFV-UHFFFAOYSA-N 352.438 1.806 0 40 FDAB COc1cc(OC)cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 16000017 WLGNHAMHBLGDDW-UHFFFAOYSA-N 361.398 1.849 0 40 FDAB CCc1cc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)on1 19522780 JRAXDEOZWPATDF-JTQLQIEISA-N 363.395 1.086 0 40 FDAB COc1ccccc1CC(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19569489 IJRDDGPUDUIOAF-HNNXBMFYSA-N 352.438 1.690 0 40 FDAB Cc1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)nc(N2CCOCC2)n1 19718710 DUFBTOUUMZTWLC-LBPRGKRZSA-N 372.473 1.333 0 40 FDAB O=C1NCCC[C@H]1N1CCC(Oc2ncc(Br)cn2)CC1 1888834391 GGFXCTAKRRQMPG-GFCCVEGCSA-N 355.236 1.361 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840198 JAVCQWISXYDNMN-FQEVSTJZSA-N 368.437 1.698 0 40 FDAB C[C@]1(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)CC=CCC1 1565553852 FDEMUWSBZZITSC-INMHGKMJSA-N 356.488 1.384 0 40 FDAB O=C(N1C[C@H]2Cc3cnc(NCCN4CCCC4)nc3[C@@H]2C1)C1(F)CCC1 1565553789 JGNLPIIRLHUTGM-HZPDHXFCSA-N 373.476 1.975 0 40 FDAB COc1cnccc1C(=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565554285 MVUZWBZPWNDGMI-ZBFHGGJFSA-N 365.437 1.892 0 40 FDAB COc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952185 USDCYSPTSSMRQF-UHFFFAOYSA-N 367.405 1.795 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 4497699 OPXQOOAGMKREER-OAHLLOKOSA-N 358.419 1.973 0 40 FDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 23127347 CIIHBHIGVYCHCY-UHFFFAOYSA-N 371.840 1.892 0 40 FDAB COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2nncn2c1 49408247 LAEWCFYIRURGGP-UHFFFAOYSA-N 360.395 1.406 0 40 FDAB COC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cc(F)cc(F)c21 101121010 XOXYWCSHDGVHMP-JXAWBTAJSA-N 353.306 1.883 0 40 FDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 40017367 CEIXHJDGLQYNOP-MRXNPFEDSA-N 366.439 1.312 0 40 FDAB COc1cccc(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)c1 40123113 IFVZCQJDICHRNI-UHFFFAOYSA-N 362.817 1.905 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)C[C@H](C)O1 29188880 LWXRLQKVTOAWIK-RYUDHWBXSA-N 360.863 1.509 0 40 FDAB COC(=O)c1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 16737158 AQHKXFZTZOXKER-LCYFTJDESA-N 353.359 1.745 0 40 FDAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC1CCCC1 21249640 FZUXFUGDGPYROI-LLVKDONJSA-N 354.428 1.662 0 40 FDAB C[C@@H](OC(=O)c1cnn(C)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32777217 NYOLFFLVQMCMOO-SNVBAGLBSA-N 351.384 1.220 0 40 FDAB Cc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1F 4984797 LMTLDQLJUMWUFQ-UHFFFAOYSA-N 369.356 1.956 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCCn2nc(C)nc21 81812010 ZMPFUCRAKQJJAS-AWEZNQCLSA-N 357.414 1.366 0 40 FDAB C[C@@H]1CCCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)C1 10541800 PJRPWQSJNSJESV-CQSZACIVSA-N 354.472 1.715 0 40 FDAB C[C@@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 102610781 RERZAKSBNXNJPN-KFLWBIJHSA-N 360.435 1.680 0 40 FDAB CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 52756444 XNNDYLUJTVLVQC-OCCSQVGLSA-N 368.455 1.294 0 40 FDAB Cn1cc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1C(N)=O 53669690 DIYFBLRMIQMCLT-MRXNPFEDSA-N 359.451 1.965 0 40 FDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 104346187 WGBUMFUMMISSLS-OAHLLOKOSA-N 360.410 1.602 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1F 23303130 XNADGBHBTYKILP-CQSZACIVSA-N 362.449 1.357 0 40 FDAB CCN1CCc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2C1 20945739 PWQAGSIANLRDOK-UHFFFAOYSA-N 370.434 1.756 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1[nH]c(-c3ccc(Br)cc3)cn12 1518762 NGGOQHICDSLCJC-UHFFFAOYSA-N 360.171 1.632 0 40 FDAB Cc1oc([C@H](O)[C@@H](O)[C@H](O)CO)cc1C(=O)OCc1ccc(Cl)cc1 35335091 ZZHUOAPJSCRHRZ-KBMXLJTQSA-N 370.785 1.346 0 40 FDAB COc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 26836506 SQQKVBNQIJWUCE-UHFFFAOYSA-N 365.407 1.824 0 40 FDAB C[C@@H]1CN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)C[C@@H](C)O1 44413389 SSAVPDJESSLVPU-CHWSQXEVSA-N 367.881 1.569 0 40 FDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CC=CC[C@H]1C(=O)O 44830173 ABNBASJQIFABCL-LSDHHAIUSA-N 364.423 1.832 0 40 FDAB Cc1ccc(N2CN=c3s/c(=C\c4ccccc4O)c(=O)n3C2)cc1 2336288 MPWQEDHUQWFGNC-YVLHZVERSA-N 351.431 1.807 0 40 FDAB COCCNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4073841 DQFVRFUMHDVZLS-QFYYESIMSA-N 352.412 1.036 0 40 FDAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)N3CCN(CCO)CC3)ccc12 13629873 DEXVTGMFFHECMW-UHFFFAOYSA-N 374.437 1.261 0 40 FDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13624280 KSODCAHFBNBPGA-UHFFFAOYSA-N 360.458 1.319 0 40 FDAB O[C@H](CN1CCOCC1)CN1CCC(OCc2ccc(F)cc2)CC1 91869527 VTACAPVGJUTZHM-SFHVURJKSA-N 352.450 1.500 0 40 FDAB Nn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1C1CC1 6586318 IQXKLZWVJANVJJ-AWEZNQCLSA-N 359.455 1.562 0 40 FDAB O=C(Nc1ccc2cc[nH]c2c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 71287646 CLBOJRHCVKFDII-ZDUSSCGKSA-N 374.422 1.272 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 4938317 BJZCQOLSWGKLKN-UHFFFAOYSA-N 372.830 1.879 0 40 FDAB COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 6983190 MYOAKROLSYMXOJ-UHFFFAOYSA-N 364.379 1.366 0 40 FDAB CC(C)(C)N1C[C@H](NC(=O)N2CCN(c3ncccc3F)CC2)CC1=O 90603988 CUHJVQSFLQXEIY-CYBMUJFWSA-N 363.437 1.452 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 16206478 CLHCNGPCQXSVCQ-CYBMUJFWSA-N 369.439 1.888 0 40 FDAB CCN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 8036305 KZOKZZNLZSVOCW-UHFFFAOYSA-N 373.409 1.447 0 40 FDAB CCN(Cc1ccccn1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000282 OVFGNSYWIIXCQZ-UHFFFAOYSA-N 359.451 1.758 0 40 FDAB Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2c1[C@H](C)CC2=O 9691636 JDYVRBFJAZCRCI-NEPJUHHUSA-N 351.424 1.367 0 40 FDAB CC(C)c1ncc(Cl)c(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)n1 84210544 UCXOISAULVIIFL-ZDUSSCGKSA-N 368.865 1.867 0 40 FDAB CCS(=O)(=O)N1CCN([C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 97165382 LGCRAOUDUZGVCR-ZIAGYGMSSA-N 363.524 1.646 0 40 FDAB Cc1cccc(Cc2cnc(NC(=O)CN3CCC[C@@H]3C(N)=O)s2)c1 72951430 CUOHKFQRHGUCSV-OAHLLOKOSA-N 358.467 1.931 0 40 FDAB CCOC(=O)C1=C(CNc2cccc(-c3ccnc(C)n3)c2)NC(=O)NC1 84792398 SEHRSLYQDDZAMI-UHFFFAOYSA-N 367.409 1.994 0 40 FDAB CC(C)(CC(=O)N1CCC[C@@H](c2nnn[nH]2)C1)NC(=O)OC(C)(C)C 95432771 WUCOHZDIHCBIMU-LLVKDONJSA-N 352.439 1.599 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CCCc3cn[nH]c32)cc1 95443974 OKGAMJGMJMMMSL-CQSZACIVSA-N 357.366 1.798 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)o1 95464007 RKWDQADLCVIVIG-LLVKDONJSA-N 355.343 1.248 0 40 FDAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccnn2)c1 89878926 AHLISSOMTPVDSB-HNNXBMFYSA-N 362.393 1.307 0 40 FDAB NS(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 89813997 FHCTUGIATPEHKX-UHFFFAOYSA-N 359.451 1.769 0 40 FDAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)c1 306124052 BEGYLFABTNZOSG-INIZCTEOSA-N 366.425 1.782 0 40 FDAB O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306127376 FXCUQRCZPGGAIJ-UHFFFAOYSA-N 357.458 1.525 0 40 FDAB Cn1cc(CC(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c2ccccc21 527562254 QKNLEKAGBHQWLX-IGCXYCKISA-N 353.426 1.510 0 40 FDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980327 KIWLVTZVVLKSFT-HNNXBMFYSA-N 350.390 1.953 0 40 FDAB Cc1ncc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cn1 72338958 WQNBYVWVTAWNIA-GOSISDBHSA-N 373.482 1.727 0 40 FDAB CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 72346598 VSEZDCVWCRRUNX-UGNRZPKXSA-N 367.449 1.590 0 40 FDAB NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCNCC3)CC1 72423973 NUJAFGKUFDJSSL-UHFFFAOYSA-N 351.454 1.534 0 40 FDAB COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(C)=O)O3)no2)cc1 77263225 YHVWFLAUIOFYME-JENIJYKNSA-N 360.410 1.937 0 40 FDAB biogenic,in-vitro NC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccsc3)c(=O)[nH]2)C1 14987934 GLKCUERHLHESKD-CYBMUJFWSA-N 374.466 1.064 0 40 FDAB O=C(O)CC1(CNC(=O)Cn2nc3c(cc2=O)CCCC3)CCCCC1 49549612 UFVDAVWORDQQHY-UHFFFAOYSA-N 361.442 1.664 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)s1 224161286 YQLQKYPDJGEJQZ-BBBLOLIVSA-N 358.489 1.990 0 40 FDAB O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 514290416 YPBZGZAQNMRDEZ-NHCUHLMSSA-N 355.526 1.977 0 40 FDAB biogenic,in-vitro O=C(CCn1cnc2ccccc2c1=O)Nc1nc([C@@H]2CCCO2)n[nH]1 95475868 HQWYHPPENQABFR-ZDUSSCGKSA-N 354.370 1.395 0 40 FDAB O=C(CO[C@H]1COC2(CCN(Cc3ccccn3)CC2)C1)N1CCCC1 96207939 UDVRHAWPGGYNAO-GOSISDBHSA-N 359.470 1.844 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)/C=C/C(=O)O 257277956 OADKITUXQRWJNX-GNAXCBTBSA-N 370.409 1.060 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257252887 JWNPUDJABSWKBX-SFHVURJKSA-N 358.446 1.211 0 40 FDAB CO[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@@]12CCCO2 257218570 DDPFZCAEDQBDIZ-MJGOQNOKSA-N 361.442 1.853 0 40 FDAB O=C(NCC(=O)N1C[C@@H](CO)c2ccccc21)N1CCc2ccccc2C1 293881712 JUKOWYMOLOHSMO-KRWDZBQOSA-N 365.433 1.877 0 40 FDAB CC(C)c1ccc(N2C(=O)CC(c3nc(N)nc(N(C)C)n3)=C2N)cc1 9051266 BKQDWXHSJGCJGS-UHFFFAOYSA-N 353.430 1.707 0 40 FDAB COc1ccccc1-c1ccc(CN2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 585168404 VZUOSAWQGWLPFR-LJQANCHMSA-N 367.449 1.880 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@H](O)[C@H]2O)c1 585262411 RQAZFROVFIYYFR-BDXSIMOUSA-N 361.369 1.506 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc2nonc12 585124196 XTTMCEDOYKFGOO-BXUZGUMPSA-N 363.399 1.248 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3ccccc3C)C2)C1 685943325 YUBDMLZETNPKBX-UJMHRVFCSA-N 355.438 1.204 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 56970679 PTFGTWJCDZZNSZ-MRXNPFEDSA-N 357.414 1.352 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1 64477619 KFZJYDBTJODEAL-UHFFFAOYSA-N 361.423 1.995 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)N1 84459233 AEEXSAZHRIZIII-UHFFFAOYSA-N 361.785 1.316 0 40 FDAB COc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021430 ODQMJXMGRVLHDJ-UHFFFAOYSA-N 355.354 1.545 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N[C@H](Cc2cccs2)c2ccccn2)C1=O 12234184 MNKUFDPHJCJLHI-CQSZACIVSA-N 372.450 1.874 0 40 FDAB CC[C@@H](C(=O)NCCCN(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715978 YELYSKJIGAVPSH-HNNXBMFYSA-N 359.467 1.438 0 40 FDAB N[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 19370472 RJPBHBGHCZEMNF-DENIHFKCSA-N 363.461 1.904 0 40 FDAB O=C(CN1Cc2ccccc2C1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19375537 WGZFAJDAJKLDQE-IBGZPJMESA-N 363.465 1.802 0 40 FDAB COc1cc(CN2CCN(c3nccs3)CC2)ccc1OCC(N)=O 19658702 KRGUITMJAUYDGT-UHFFFAOYSA-N 362.455 1.338 0 40 FDAB CN1CCC[C@H](NC(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)C1 19749810 TXSQGDJOTNPTPF-HNNXBMFYSA-N 359.405 1.485 0 40 FDAB Cc1cc(C)n2nc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)nc2n1 6842572 FLGMVFXQXQGNAZ-CQSZACIVSA-N 353.382 1.727 0 40 FDAB COCCOc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccn1 253408349 XNDUPHWOXXUNTL-UHFFFAOYSA-N 359.382 1.298 0 40 FDAB COc1cccc2sc(N3CCN(c4ccc(=O)n(C)n4)CC3)nc12 2086988579 NQZCIKWTSCWQQC-UHFFFAOYSA-N 357.439 1.725 0 40 FDAB Cc1cc(NC(=O)C(=O)NC2CCCC2)n(-c2nc(O)cc(C(C)C)n2)n1 9038396 OCVPQQHBUUJXCY-UHFFFAOYSA-N 372.429 1.797 0 40 FDAB CCc1ccccc1NC(=O)Cn1nc(C(=O)N2CCOCC2)cc1C 11927640 CZXNRKXDXDSCPJ-UHFFFAOYSA-N 356.426 1.865 0 40 FDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2)N1CCC(O)CC1 2055713487 VNLAPTVYNUKKPQ-CQSZACIVSA-N 360.458 1.055 0 40 FDAB Cc1cc(NC(=O)CSc2nnc(N3CCN(C)CC3)s2)no1 23139743 PFJIITPFWAZAAV-UHFFFAOYSA-N 354.461 1.317 0 40 FDAB COc1nc(N2CC[C@H](C(=O)NC(C)(C)C)C2)ncc1Br 2086850133 GLPZQCQZHNSSHK-VIFPVBQESA-N 357.252 1.989 0 40 FDAB CCn1cc(-c2noc(CNC(=O)c3cc(-c4cccnc4)on3)n2)cn1 575614902 AAIBPVLXPLMJQK-UHFFFAOYSA-N 365.353 1.933 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11795896 HDAHDYNWNPCIJZ-CYBMUJFWSA-N 369.468 1.660 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19333408 GPYLJJIMVWVGKQ-CQSZACIVSA-N 368.416 1.401 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2CCN(c3nccs3)CC2)c1 40033510 RYHTZMKZSKSMGX-UHFFFAOYSA-N 366.512 1.716 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)N[C@H]1CCS(=O)(=O)C1 32095445 MOIFKCQYQXIMDP-HNNXBMFYSA-N 374.422 1.643 0 40 FDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCOC 2938995 PXMSMMXIYJQLRG-ZBFHGGJFSA-N 356.488 1.841 0 40 FDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3256697 NNRUNQHYDJZCOI-SMDDNHRTSA-N 359.430 1.506 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(C)o2)NC(=S)N[C@]1(O)C(F)(F)F 4192796 TYGJYWAOSBTOMZ-KBVBSXBZSA-N 352.334 1.537 0 40 FDAB CC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 4328379 WHEHDJISXPLLIM-UHFFFAOYSA-N 352.397 1.956 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cs1 6681544 OMYOTSGZWUOEFF-UHFFFAOYSA-N 356.425 1.926 0 40 FDAB C[C@H]1C(=O)[C@H](C)[C@H]2N(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]32O4)[C@H]1c1ccco1 101903385 LXIQMFKOABADKQ-FKNAHTHXSA-N 357.362 1.411 0 40 FDAB CCCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)n[nH]c1=O 8705034 KBIZWHFGUGBZKI-UHFFFAOYSA-N 359.455 1.914 0 40 FDAB Cc1cc(S(=O)(=O)[C@H](CNS(C)(=O)=O)c2cccnc2)ccc1F 19797335 XWHBQPTWCQYSTO-OAHLLOKOSA-N 372.443 1.593 0 40 FDAB CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(N)=O)n1 2779228 UACIRNBAOPGVCY-UHFFFAOYSA-N 356.386 1.709 0 40 FDAB COc1ccccc1[C@@H]1N=C(N2CCN(C)CC2)Nc2nc(C)cc(=O)n21 9289608 GUFHHYSXVCKMEA-QGZVFWFLSA-N 368.441 1.136 0 40 FDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 810096 AUJPYZFTKSBIAR-ZDUSSCGKSA-N 372.874 1.600 0 40 FDAB O=C(CSc1nnc(NC2CC2)s1)NC(=O)NCC(F)(F)F 9952543 HBOYZNCSFLIAER-UHFFFAOYSA-N 355.367 1.593 0 40 FDAB COc1ccccc1N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 23625091 VNHRBHZXUBMCAC-IAGOWNOFSA-N 350.459 1.374 0 40 FDAB COc1ccc(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 23882880 WUJIQSHNVOYIDV-UHFFFAOYSA-N 367.413 1.061 0 40 FDAB Cc1csc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)n1 100128668 RGAMTQMIBSZUEU-STQMWFEESA-N 361.471 1.638 0 40 FDAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3cnn(C)c3C)nc(N)c12 12549747 GKASQNBWRZIMFY-UHFFFAOYSA-N 373.369 1.689 0 40 FDAB CCOc1cc(CNCCn2ccnc2)ccc1O[C@H](C)C(=O)N(C)C 25359789 SAOHJNMADRLTRL-OAHLLOKOSA-N 360.458 1.927 0 40 FDAB CCOc1c(Cl)cc(CNCCCNS(C)(=O)=O)cc1OC 44862260 MPVRDTXWUOKDDX-UHFFFAOYSA-N 350.868 1.776 0 40 FDAB COc1ccc(CC[C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 58208789 YNQYTWNKYILPFW-ZDUSSCGKSA-N 369.425 1.276 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C 3354884 ZLFISVVKMLZBID-UHFFFAOYSA-N 363.395 1.790 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C[C@@H](C)O1 3333515 NNEXVDOPVDSHFK-QUJCMNEKSA-N 357.410 1.016 0 40 FDAB CN1CC2(CCN(Cc3cnn(C)c3)CC2)c2nn(CC3CC3)cc2C1=O 306139824 UBOQTKSSVWFNKA-UHFFFAOYSA-N 368.485 1.646 0 40 FDAB CN1C(=O)Cc2cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc21 12987477 OAQADZAZKDUGBB-ZDUSSCGKSA-N 373.438 1.346 0 40 FDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 12976621 VXOCSKJVPHGPMK-INIZCTEOSA-N 361.442 1.661 0 40 FDAB CCOc1ccc(N2C(=O)C[C@@]3(CC(C(=O)OC)=NN3N=O)C2=O)cc1 5068400 ZERGGHDIQMFQLN-INIZCTEOSA-N 360.326 1.004 0 40 FDAB Cc1noc(C)c1CN1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 306137897 RJMZMGNJDXTUGF-GOSISDBHSA-N 366.425 1.756 0 40 FDAB CCOC(=O)c1nnn(CC(=O)Nc2cc(C)ccc2C)c1C(=O)OCC 4877941 LKWCHIPFQRSQPK-UHFFFAOYSA-N 374.397 1.887 0 40 FDAB COC(=O)Cc1cc(O)nc(SCC(=O)Nc2ccc(F)c(F)c2)n1 7047671 FOQQDVQIRGJMQK-UHFFFAOYSA-N 369.349 1.907 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C[C@@H](C)C[C@H](C)C1)C2=O 7443444 ZFHDWIIPLQYUBU-HPGRBHQUSA-N 350.463 1.496 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 20150400 ISDWVUPBHPGSMC-NXEZDXNNSA-N 370.430 1.692 0 40 FDAB COCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO 96006756 VHHHLJNUGVJXKK-QGZVFWFLSA-N 356.488 1.099 0 40 FDAB CCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(N)(=O)=O)ccc21 27338229 YKGAENVECGMZFH-LBPRGKRZSA-N 366.487 1.941 0 40 FDAB CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 84638304 MRZBDYPIKGCRGU-QFBILLFUSA-N 351.466 1.467 0 40 FDAB CN(CC(=O)NC(C)(C)C)[C@H]1CCCC[C@H]1N(C)CC(=O)NC(C)(C)C 95995920 JEDCOIQHQUYVFY-IYBDPMFKSA-N 368.566 1.991 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCOCC1 408604348 LZKFENRTPUORBN-UHFFFAOYSA-N 352.456 1.688 0 40 FDAB NC1=C2C=CC=C[C@@H]2NC(CSCC2=N[C@H]3C=CC=CC3=C(N)N2)=N1 38748125 GWZGKYOJBSRFGU-KBPBESRZSA-N 352.467 1.053 0 40 FDAB O=C(NCCCN1CCOCC1)c1cccc(I)c1 33926930 XKORVAWCBJMALB-UHFFFAOYSA-N 374.222 1.743 0 40 FDAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1c(F)cccc1F 70923010 OWCBIUNVYUKHTG-UHFFFAOYSA-N 368.409 1.950 0 40 FDAB CO[C@@]1(C)C[C@H](N(C)S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1(C)C 521621204 PYEWOBPSMABGMA-YOEHRIQHSA-N 371.455 1.974 0 40 FDAB COc1cc2c(cc1S(=O)(=O)NCCCN1CCOCC1)CCCC2 224847529 SCUGTKVOMZUINI-UHFFFAOYSA-N 368.499 1.575 0 40 FDAB NC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1 45958587 KVXYPKRVWCCIFA-JTQLQIEISA-N 357.332 1.380 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CC2)n[nH]1 527196193 KXRTUAPJDVPYBK-HBJVGIJOSA-N 373.379 1.113 0 40 FDAB O=C([C@@H]1CN(CC2CCOCC2)CC12CCOCC2)N1CCOCC1 96052236 PAPDKYGMFIYKNF-KRWDZBQOSA-N 352.475 1.000 0 40 FDAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 531059009 LCHAZAMSUBCSPK-WIRSXHRWSA-N 358.482 1.943 0 40 FDAB Cn1c(=O)oc2c(C(=O)N3CCC([C@@H]4NC(=O)C4(C)C)CC3)cccc21 578811402 WGJBMRLPNAYDPW-HNNXBMFYSA-N 357.410 1.508 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 96056963 MJQQMYQUMRYTLZ-QAPCUYQASA-N 350.415 1.396 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107859 IQRRIOIGIIDDDI-BEFAXECRSA-N 357.385 1.997 0 40 FDAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(C(=O)c1ccncn1)C2 247826544 JHQDTGXURXROLI-INIZCTEOSA-N 354.410 1.770 0 40 FDAB C[C@H](NC[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1n1cnc2c(N)ncnc21)c1ccccc1 257287795 PRNWBGLUVUQCTN-RFOKVQRGSA-N 368.441 1.042 0 40 FDAB CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 257236819 HDXGLWAPPWQUEI-LJQANCHMSA-N 351.466 1.219 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cc3c(C)nc4ccccn34)CCO2)n1 257284465 PCUQJZBQBXNVDD-INIZCTEOSA-N 353.426 1.827 0 40 FDAB O=C([C@@H]1CCCCN1C(=O)CN1CCc2ccccc21)N1CCOCC1 264196170 ORJVLWSNBHOGRH-SFHVURJKSA-N 357.454 1.289 0 40 FDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccnc2c1ncn2C 606441425 MIXIJHAJJZGECG-BBRMVZONSA-N 354.414 1.579 0 40 FDAB CO[C@@H]1CN(C(=O)c2cccnc2N2CCCCC2)C[C@H]1c1cnn[nH]1 623031500 KIJGOPAADGNFST-GOEBONIOSA-N 356.430 1.445 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 648145517 BRJJWJAZEFEDGE-HUUCEWRRSA-N 351.472 1.053 0 40 FDAB CCn1cc(CN2Cc3ncn(C)c3C[C@H]2CNc2ncccn2)cn1 585094749 KHTYNWWYNCVMLF-HNNXBMFYSA-N 352.446 1.466 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3c(ccn3C)c2)Cc2ccnn21 585095375 SPEIIXCATMZOAJ-INIZCTEOSA-N 351.410 1.708 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1=O 585107121 PRROERGYQHXPDT-PXNSSMCTSA-N 352.438 1.437 0 40 FDAB COc1ccc(CC(=O)N2CCC[C@H](OC)[C@@H]2CCC(N)=O)cc1F 585279625 WHVRZKMWWOSPLP-HOCLYGCPSA-N 352.406 1.648 0 40 FDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1=O 585107123 PRROERGYQHXPDT-YLJYHZDGSA-N 352.438 1.437 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cnn(C[C@H]2CCCO2)c1 56954226 JNMHYLIYAWKUSI-MRXNPFEDSA-N 353.386 1.219 0 40 FDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 39979688 MMYXSICEGRXGTF-UHFFFAOYSA-N 361.261 1.738 0 40 FDAB C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(Br)c1 96012569 GTMYWAPLRNAOSI-HUTHGQBESA-N 354.291 1.837 0 40 FDAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc3nccnc3c1)C2 12184558 GOZPIDQPNWMYRC-UHFFFAOYSA-N 362.437 1.872 0 40 FDAB Cc1oc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1C(=O)O 13055961 HFBCEYJRZFXQHT-UHFFFAOYSA-N 355.350 1.655 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 18151464 WRYHTDFCKBVKHA-UHFFFAOYSA-N 350.396 1.231 0 40 FDAB O=C1NCC2(CCC(C(=O)N3CCC[C@H](CO)C3)CC2)Oc2ccccc21 19374730 VXGRDMUVYVUIQA-FQWCMUAHSA-N 372.465 1.969 0 40 FDAB CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c2=O)C1 19448460 RLARQZYAMRABTO-QGZVFWFLSA-N 374.485 1.421 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)C1=O 19460023 AROZWQHRUVMKKX-AWEZNQCLSA-N 372.450 1.874 0 40 FDAB COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)ccc2c1 151607452 RIFRZRHODJBITM-GOSISDBHSA-N 354.454 1.986 0 40 FDAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC(Oc2cnccn2)CC1 244933121 CCFSCWGIZHZTRE-MRXNPFEDSA-N 370.409 1.723 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911005 HXBUZIJXHJDHRC-KOLCDFICSA-N 359.348 1.661 0 40 FDAB O=C(COc1ccccc1)NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1 1775964132 SXXRNKZVGPZGBK-HNNXBMFYSA-N 370.409 1.838 0 40 FDAB biogenic,in-vitro Cc1cc(=NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)[nH]o1 2037916012 HAUSMTKTMRXGFM-SFHVURJKSA-N 363.389 1.388 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]2C1 1614934763 MPHBTVVKNHAZAH-SLEUVZQESA-N 373.438 1.439 0 40 FDAB O=C(c1ccsc1)N1CCOC2(CCN(C(=O)C3CC(O)C3)CC2)C1 1565553576 DZSZYNBBNDBPSU-UHFFFAOYSA-N 364.467 1.353 0 40 FDAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 2055734775 UWFGMLIEODSQHK-GFCCVEGCSA-N 353.419 1.711 0 40 FDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CC2CCOCC2)C1 2055746531 VZXSGQBVTOQKQA-IBGZPJMESA-N 363.433 1.771 0 40 FDAB CC(=O)N1CCO[C@H](CN2CCN(c3nsc4ccccc34)CC2)C1 2086856927 WUNUOXFDFXXSPF-OAHLLOKOSA-N 360.483 1.666 0 40 FDAB CC(C)c1noc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)n1 2086884636 ZALPFOXKNHOIOQ-UHFFFAOYSA-N 373.461 1.142 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)s1 229990632 WUAXYCQUAVWMLP-SANCVJEGSA-N 371.415 1.182 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](Oc2ncc(F)cn2)C1 575413866 HZFRUJCPFUQHJY-ZDUSSCGKSA-N 369.356 1.006 0 40 FDAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1 585330495 DMTCKNXGZDIHKM-UHFFFAOYSA-N 364.405 1.722 0 40 FDAB CC(C)COC[C@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999378 RQPYOCLYNKQFLM-VFVAKGGASA-N 354.428 1.862 0 40 FDAB biogenic CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 100639787 QTOPQEFYCAPIHF-VHSXEESVSA-N 356.165 1.374 0 40 FDAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCOCC1)C(F)(F)F 20609045 BXCXPMIAMBTWPU-OAHLLOKOSA-N 360.332 1.570 0 40 FDAB Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)NC(C)(C)C 7814143 GMEAYZOXPQLQIU-UHFFFAOYSA-N 370.519 1.835 0 40 FDAB C[C@@]1(NC(=O)CN(Cc2ccccc2F)C2CC2)CCS(=O)(=O)C1 16395502 IFHFTOAFKVJEGS-QGZVFWFLSA-N 354.447 1.484 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 4861015 OONPTGBPFCWDOV-UHFFFAOYSA-N 360.501 1.892 0 40 FDAB COc1cc2c(C)cc(=O)oc2c(OC[C@H](O)CN2CCCC2)c1OC 6484221 KUBUNGYHEMKARP-CYBMUJFWSA-N 363.410 1.954 0 40 FDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](O)COCc1ccccc1F 32855897 RPRYPWITYQSEFQ-FUHWJXTLSA-N 372.396 1.866 0 40 FDAB Cc1nc(CN2CCN([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)cs1 32889905 ARMGEYSHSDQNRZ-XJKSGUPXSA-N 352.504 1.253 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 7738400 MQEPRSMMZVDJPD-UHFFFAOYSA-N 357.391 1.508 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1sccc1-n1cnnn1 58763754 WMHSWWRIGIOKCJ-UHFFFAOYSA-N 373.394 1.206 0 40 FDAB O=C(Nc1nnc(C2CC2)s1)c1cccc(CN2C(=O)CNC2=O)c1 32901835 VBCDXMBUSDHTOX-UHFFFAOYSA-N 357.395 1.720 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 53368635 RPAQIUVYDZUMPJ-JTQLQIEISA-N 369.365 1.371 0 40 FDAB CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CCC2 10157627 QJAQYXXVJSOXQN-UHFFFAOYSA-N 355.398 1.593 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)CC1 102838455 SYMHVAYJPMNNFP-NSHDSACASA-N 367.427 1.205 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1 10384999 LEZCTCDWKCLIFQ-KGLIPLIRSA-N 364.423 1.381 0 40 FDAB Cc1ccc(Cn2cccc(NC(=O)[C@H]3CCCS3(=O)=O)c2=O)cc1 517755260 SHKGUNWDALZCSM-MRXNPFEDSA-N 360.435 1.721 0 40 FDAB COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3CCC(=O)N3)CC2)c1C 103130980 WJTWVPPBKQTRQO-INIZCTEOSA-N 374.485 1.408 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2cc[nH]n2)cc1 103140740 TXAIYAZCSMTFIZ-HUUCEWRRSA-N 350.378 1.966 0 40 FDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12200093 ZTRHAIIBGMCYBB-UHFFFAOYSA-N 373.390 1.240 0 40 FDAB COc1ccc(CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 24051147 RHJJUCUWPYOJFP-UHFFFAOYSA-N 369.464 1.919 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CSc1ccc(F)cc1 24676193 UMNFYHRSFTURTF-CYBMUJFWSA-N 360.476 1.848 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 55389935 VDAMWTYVDSJAKW-UHFFFAOYSA-N 361.467 1.718 0 40 FDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 12526135 MSRGJYRRHKCAIA-UHFFFAOYSA-N 358.416 1.925 0 40 FDAB O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 101322988 GDUQLZHRFTVRBH-CHWSQXEVSA-N 355.481 1.948 0 40 FDAB CC(C)c1noc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)n1 26131737 FYJYQMQDGRLLMI-UHFFFAOYSA-N 369.303 1.669 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)Nc1nccs1 26445213 ZLSYDDKNZVCGBX-UHFFFAOYSA-N 366.393 1.818 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2nnc(C)s2)CC1 27913230 ICAAGTZVUYLNLW-UHFFFAOYSA-N 354.432 1.367 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCc1ccccn1 57451642 INKXXBFVGMOKIO-HNNXBMFYSA-N 354.476 1.128 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 75906122 ZHMRBBKJJFWTAU-OXQOHEQNSA-N 359.470 1.666 0 40 FDAB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 21896853 ZAMZULXHXCKJOS-CQSZACIVSA-N 353.440 1.991 0 40 FDAB CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10134653 LWWFVDYMJSTACX-UHFFFAOYSA-N 356.352 1.886 0 40 FDAB COC(=O)c1cc(OC)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O 58165972 MQUPQHOQPSGAPG-UHFFFAOYSA-N 368.345 1.717 0 40 FDAB COC(=O)c1c(CC(=O)N[C@H]2COc3ccccc3C2)[nH]c(C(C)=O)c1C 58203305 GFCGEXPNMKHYSY-CQSZACIVSA-N 370.405 1.975 0 40 FDAB O=C(NCCn1ccnc1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48141948 CUOMDGSIOBXOOQ-INIZCTEOSA-N 358.417 1.620 0 40 FDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(C)(C)O)nc(C(C)C)nc21 78489624 ZOQBKAYMJFNRPU-UHFFFAOYSA-N 366.487 1.887 0 40 FDAB CN1CCN([C@@H](C(=O)O)c2cn(CCC(=O)O)c3cc(F)ccc23)CC1 36364926 GTKWVOSMSISYRZ-QGZVFWFLSA-N 363.389 1.628 0 40 FDAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2371956 KKCGBSMMUDOLBC-UHFFFAOYSA-N 369.424 1.836 0 40 FDAB COc1ccc(OCCNC(=O)Cn2c(=O)cnc3ccccc32)cc1 12767128 ZJKVKXFXXXOBJC-UHFFFAOYSA-N 353.378 1.600 0 40 FDAB Cc1ccncc1S(=O)(=O)NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 408494586 DPHGLIIKHYRZLI-IQIPOGNMSA-N 364.345 1.551 0 40 FDAB O=C(NCCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl 12898788 HZMKTQKZRXKLBI-UHFFFAOYSA-N 363.845 1.541 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O 12944633 WFKDOTJKHHFSET-KDOFPFPSSA-N 358.446 1.057 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1nnc(-c2ccccc2)o1 13138924 GIGZCJMRLOCWIU-KBPBESRZSA-N 369.377 1.955 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1cccnc1 13689652 DNFUWEXVKDMVLH-UHFFFAOYSA-N 350.378 1.433 0 40 FDAB O=C(CNC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)Nc1ccccc1 69567292 AAOZMKCDCSLDJE-UHFFFAOYSA-N 354.391 1.580 0 40 FDAB CCOC(=O)C(NC(=O)COc1cccc2ccccc12)C(=O)OCC 14075986 PPEFNFNYSOEYSL-UHFFFAOYSA-N 359.378 1.830 0 40 FDAB Cc1ccccc1NCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 4624267 DDWJHOBSRHJRTG-UHFFFAOYSA-N 355.423 1.867 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1Cl 5750785 MFPDYLPMDIZNMP-LBPRGKRZSA-N 371.821 1.913 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2ccccc2c1=O 8749602 FFCCPFPMQCYPPM-UHFFFAOYSA-N 365.389 1.826 0 40 FDAB O=C(COc1ccccc1)NCC(=O)Nc1cccc(N2CCCC2=O)c1 6987718 SZHBGZCPSABWBN-UHFFFAOYSA-N 367.405 1.947 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2nnc(C(F)F)s2)=NN1c1ccccc1 67551730 PAMKKSOUVGDCDQ-VIFPVBQESA-N 366.353 1.534 0 40 FDAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC(F)F)s1 92312589 AODMOBLADJDOGY-UHFFFAOYSA-N 354.444 1.996 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2Cl)NC(=O)N[C@H]1C 16049844 UFTFFTYDYGPJIG-QMMMGPOBSA-N 353.762 1.410 0 40 FDAB COc1ccc(C)cc1CN(C)C(=O)Cn1nnc2ccccc2c1=O 9114341 ANOZORFDIYJLEH-UHFFFAOYSA-N 352.394 1.767 0 40 FDAB CN1CCN(C(=O)[C@H](C(=O)c2cccc(Cl)c2)n2ccccc2=O)CC1 19840709 BEINFMNVFNKDLX-KRWDZBQOSA-N 373.840 1.700 0 40 FDAB CCOC(=O)[C@](NCCc1ccccc1OC)(NC(C)=O)C(F)(F)F 19939247 FAPJJRBEOVYXCD-HNNXBMFYSA-N 362.348 1.785 0 40 FDAB COc1cccc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c1 9762888 RQSUGDHJIYDBPC-UHFFFAOYSA-N 361.486 1.356 0 40 FDAB O=C(c1ccccc1)N1CCN(c2cncc(N3CC[C@H](O)C3)n2)CC1 95398707 PCESKBCFGAMFIM-INIZCTEOSA-N 353.426 1.010 0 40 FDAB O=C1C[C@@H](Cc2ccc(C(=O)N[C@@H](CCO)c3cccs3)cc2)C(=O)N1 89799937 IJKFEIMYKSNAEA-CABCVRRESA-N 372.446 1.807 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)NCCc1cnn(-c3ccccc3)c1)CC2 89740881 MFGDGAPRVFUZPK-INIZCTEOSA-N 350.426 1.694 0 40 FDAB Cc1cccc(N2Cc3nn(CC(=O)Nc4nccs4)c(=O)n3C2=O)c1 1547201291 XFLJFLBNRHNPJS-UHFFFAOYSA-N 370.394 1.437 0 40 FDAB COc1cc2oc(=O)c(CC(=O)N[C@H](C)C(=O)O)c(C)c2cc1Cl 6075886 SSYYWVMBIZIMJJ-MRVPVSSYSA-N 353.758 1.895 0 40 FDAB biogenic O=C(Cn1nnc2ccccc2c1=O)N1CCO[C@@H](c2ccccc2)C1 30766814 DPBRBSOAJWYMQI-QGZVFWFLSA-N 350.378 1.392 0 40 FDAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1cc(C)ccc1OC 39986060 SVHPIOPSEGWJHR-ZDUSSCGKSA-N 358.460 1.165 0 40 FDAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)o2)cc1 44358022 NHIYFXSCAIDXQO-GFCCVEGCSA-N 350.400 1.408 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCO3)s1 45857148 XMGYCHXAPYZAMD-UHFFFAOYSA-N 352.437 1.303 0 40 FDAB COCCNc1ccnc([C@H]2COCCN2C(=O)c2cncc(C)c2)n1 96217502 MVMGUGSZJFIGFH-OAHLLOKOSA-N 357.414 1.452 0 40 FDAB O=C(NCC1CC1)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(CC1CC1)C2 96083030 XBADOEKTTSVXSH-YLJYHZDGSA-N 355.486 1.684 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231644353 QXYJPYRNFVYREE-DEXNDLTESA-N 360.410 1.282 0 40 FDAB CCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)cc1 96105703 LFYHUTSUOHOSDE-UHFFFAOYSA-N 370.409 1.185 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 96036750 WJPOKQWQDFSPAD-QGZVFWFLSA-N 370.453 1.528 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@]1(COC)C(N)=S 242701935 WTFDHZCCNLRELE-NFAWXSAZSA-N 357.453 1.235 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)c(=O)n1C 257246855 IWCRHILSPDBCDS-MRXNPFEDSA-N 355.442 1.523 0 40 FDAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257315941 VDKKHHVONIHDKA-RBSFLKMASA-N 352.406 1.115 0 40 FDAB Cn1ncc2c1CCCN(C(=O)Nc1ccnc(O[C@H]3CCOC3)c1)C2 585140133 PZNYYUVJKPZNEL-HNNXBMFYSA-N 357.414 1.963 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 257214158 CKVGNUUOEIEXLI-AWEZNQCLSA-N 356.382 1.503 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2cc(C)no2)c1 257302081 SBJHPNPEOWYQDJ-UHFFFAOYSA-N 353.382 1.735 0 40 FDAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257289789 QAEINFHPSCUVSJ-IRXDYDNUSA-N 355.442 1.717 0 40 FDAB O=C(CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)Nc1cccnc1 1606551600 YGSAHFUYWPZSMZ-LSDHHAIUSA-N 363.381 1.120 0 40 FDAB C[C@H]1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@H]1CO 621370036 ANWFMPNNWUQEGN-KBPBESRZSA-N 353.426 1.971 0 40 FDAB O=C(c1ccnc(F)c1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 585113136 JESDHSHHNZKLJU-AWEZNQCLSA-N 373.388 1.061 0 40 FDAB CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCNS(=O)(=O)c1ccccc1 585103391 VLFVUJJZMCVLKT-CQSZACIVSA-N 367.471 1.128 0 40 FDAB Cc1ccc(C[C@H]2CCN(C(=O)/C=C/CN3CCOCC3)C[C@@H]2O)cc1 585290312 BJSPPPLNHKENTN-KWWGHGNASA-N 358.482 1.635 0 40 FDAB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)nc1 675106435 XLSIXBIBGVMMKQ-GJZGRUSLSA-N 361.446 1.474 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 665052 PTBQESJDQGLSQK-UHFFFAOYSA-N 361.261 1.740 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H]2CCC(=O)N[C@H]2c2cccnc2)c1 12118153 LFFFAQFOCVYFKL-WMZOPIPTSA-N 355.394 1.849 0 40 FDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccc(OC)cc1 12145367 AJMVSQUPSZYSOT-HNNXBMFYSA-N 366.421 1.938 0 40 FDAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cn1ccnc1)c1ccccc1O2 12221361 NWZASRJGPCGMRN-JXFKEZNVSA-N 368.437 1.904 0 40 FDAB O=C(O)COc1ccccc1/C=C1\NC(=S)N(C[C@@H]2CCCO2)C1=O 13302817 VDXZKGGTJOYEQK-OEMOTLHWSA-N 362.407 1.387 0 40 FDAB CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)CC1 15674984 ZYDXKMDXKKTEFE-CABCVRRESA-N 372.425 1.667 0 40 FDAB biogenic,in-vitro CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 17076220 GSDIQTDFMBFMIT-ULAZLLGUSA-N 372.421 1.557 0 40 FDAB COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)NC1=O 6421230 NSZLNYTZKFLOOJ-WEVVVXLNSA-N 355.144 1.181 0 40 FDAB CCOC(=O)CCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC 4280684 QOYOXWTVAJBIDG-UHFFFAOYSA-N 360.403 1.786 0 40 FDAB Cn1c(=O)c2c(SCC(=O)O)nc(C3CCCCC3)nc2n(C)c1=O 9517479 RORDBRJPVKYZDX-UHFFFAOYSA-N 364.427 1.252 0 40 FDAB O=C([C@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCSCC1 1888834746 QEALNBPTHWUKSU-GFCCVEGCSA-N 361.389 1.881 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@@H]4C3)nn12 1888863526 LMKXFAMSEDZICX-KBPBESRZSA-N 355.446 1.453 0 40 FDAB COc1ccc(CN(C)C(=O)CSc2nnnn2C2CC2)cc1F 23200188 OGQICIDUUUQQQB-UHFFFAOYSA-N 351.407 1.906 0 40 FDAB CC[C@H](C)NC(=O)CSc1nc2ncccc2c(=O)n1CCOC 31615804 WRDRRTYIQAUARZ-NSHDSACASA-N 350.444 1.445 0 40 FDAB Cn1nccc1C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839766 CPLRQRSOFGCIML-GOSISDBHSA-N 358.373 1.207 0 40 FDAB C[C@@H]1CN(C(=O)c2csnn2)C[C@]12CCN(Cc1cccnc1)C2=O 1614933398 DLXXQCQFVXAQOG-SJKOYZFVSA-N 357.439 1.444 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@H]32)CC1 1565551937 MFCNEPUKHUHGNM-YKPDLDGBSA-N 368.481 1.703 0 40 FDAB O=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565553013 GSJLEQMHHLIMKG-QGZVFWFLSA-N 357.439 1.588 0 40 FDAB C=CC(=O)N(CC)CC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C 1584265191 ZIIHQUHGIZDOLW-INIZCTEOSA-N 357.414 1.979 0 40 FDAB CN(C(=O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 3893286 MAVXCASOTLOARK-LLVKDONJSA-N 362.245 1.473 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033821 XPELFYPLNOZVRW-UHFFFAOYSA-N 369.308 1.646 0 40 FDAB CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374409 IHFPDLPFFRDAPA-AWEZNQCLSA-N 364.833 1.319 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1cocn1 2055734906 XCRIHLJRUIWAMU-JTQLQIEISA-N 356.338 1.473 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)ncnc21 2086894022 OKYAEBMBEOJJOT-QLFBSQMISA-N 370.457 1.310 0 40 FDAB O=C(/C=C/c1ccccc1Cl)N1CCC(N2C(=O)COCC2=O)CC1 575618305 GRLZJYMXVSVTCK-AATRIKPKSA-N 362.813 1.730 0 40 FDAB O=C(NCC[C@@H](O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 85436528 YOBCXOSGYAMRHZ-OAHLLOKOSA-N 356.378 1.271 0 40 FDAB O=S(=O)(NCc1cccnc1-n1cncn1)c1cccc2nsnc12 40105126 AXLOMGSNSPMSPF-UHFFFAOYSA-N 373.423 1.146 0 40 FDAB CCOc1cc(Cl)c(S(=O)(=O)N(CCO)CCO)cc1Cl 11566247 JHEVKRGWJYWTOV-UHFFFAOYSA-N 358.243 1.367 0 40 FDAB CCCn1nc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1=O 36866309 GWYJEIPWRLAGCN-UHFFFAOYSA-N 353.382 1.162 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 4937412 IRJLMSFZANXFSE-UHFFFAOYSA-N 366.395 1.256 0 40 FDAB CCOCC(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 108526463 HKHRPRWOXRJFLU-UHFFFAOYSA-N 352.475 1.681 0 40 FDAB CCn1nnc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)n1 8203291 KAKUAIQOMOJGCD-UHFFFAOYSA-N 356.411 1.982 0 40 FDAB CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccc(F)cc1 53087901 FKZQNPDISNKTIP-NSHDSACASA-N 362.405 1.071 0 40 FDAB COc1ccc(C(=O)NCCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 22470415 JGQOWBXBVYFJKC-UHFFFAOYSA-N 366.377 1.092 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)cc1F 802916 APKJISATGZTKCT-UHFFFAOYSA-N 352.318 1.748 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nnc([C@@H]2CCCO2)s1 61720830 DNCOROVDSUDNBD-LBPRGKRZSA-N 361.427 1.464 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 108993721 RPOJWUZLQLMWQJ-TWMKSMIVSA-N 364.534 1.164 0 40 FDAB CCCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 55376653 NBEYANNTSSDLHG-INIZCTEOSA-N 350.415 1.348 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Cl)c[nH]1 25199910 DWGLEPJAFKTDAB-CQSZACIVSA-N 364.785 1.725 0 40 FDAB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 78560142 ICULLTXVCIQBKA-MRXNPFEDSA-N 355.479 1.616 0 40 FDAB COc1ccc([C@H]2CCCN2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 24821491 JQSHQDKVPUELAK-NVXWUHKLSA-N 366.483 1.478 0 40 FDAB Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C)c(=O)n(-c2ccccc2)n1C 3229139 OZTRADPSYSRICK-LLVKDONJSA-N 373.442 1.127 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 12631116 PXVZQCFHKZOXOE-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 58357271 DBNINVDCWHLGPD-GDBMZVCRSA-N 373.405 1.877 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 28012753 ABKIPGKXBZDQHQ-UHFFFAOYSA-N 370.453 1.668 0 40 FDAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OCC 409042360 MOIQQMDKYVMQOQ-IZZDOVSWSA-N 368.773 1.861 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)Cn1nnc2ccccc2c1=O 12793980 KOEGRCOVKOEZDC-UHFFFAOYSA-N 351.410 1.936 0 40 FDAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(Cc2c(F)cccc2Cl)CC1 48345660 RODAYPDDJZAXJD-LBPRGKRZSA-N 368.840 1.537 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(C(C)=O)c[nH]1 8259506 GXZUUYWHBHBXTC-MRXNPFEDSA-N 372.377 1.275 0 40 FDAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=O 3535473 MNBZQLOKOPARKJ-JTQLQIEISA-N 364.427 1.872 0 40 FDAB COc1ccc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c(OC)c1 12984788 DHZZNFDGCFTNRH-UHFFFAOYSA-N 374.784 1.983 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(N(C)C)cc1 3903524 ZDBRIPNGYGPMKT-WFXMFSGNSA-N 363.410 1.138 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306144231 YZWALQQOTUPYJR-JJRVBVJISA-N 368.393 1.404 0 40 FDAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccn1 8739588 RCRGERBVENOPHE-UHFFFAOYSA-N 353.382 1.256 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)CC(O)=N2 8994484 NFEBRJAHXMVPSU-SNVBAGLBSA-N 362.773 1.451 0 40 FDAB CCc1ccc(CN(C)[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 16374010 CHCAMEFPGNSABH-RHSMWYFYSA-N 352.500 1.715 0 40 FDAB COc1ccc(Cn2c(=O)[nH]c(=O)c3c4c(cnc32)C(=O)CCC4)cc1 19818737 JLXNCNLKWNBMJV-UHFFFAOYSA-N 351.362 1.661 0 40 FDAB COc1ccc([C@@H](CNS(=O)(=O)Cc2ccon2)N2CCCC2)cc1 97598590 JHCSXSNZYBZEGO-QGZVFWFLSA-N 365.455 1.940 0 40 FDAB Cn1cc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccnc2)cn1 306123307 AJQNUFQHRHTGCF-OALUTQOASA-N 362.437 1.698 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2F)c1 89406954 RNYNYKOPMZPTMK-UHFFFAOYSA-N 369.345 1.799 0 40 FDAB NC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 8774389 PMCIYDWENIFQBM-VNHYZAJKSA-N 362.455 1.450 0 40 FDAB biogenic COCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OC)C1=O 409136407 UIZYMIIAYMJMES-UKTHLTGXSA-N 351.380 1.921 0 40 FDAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cc(C)on2)CC1 39519790 OVKPUYCKOVITNW-QGZVFWFLSA-N 371.441 1.298 0 40 FDAB CCS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2CCCN(C)C2=O)cc1 529116706 KKLQGEAOYGUIEJ-CQSZACIVSA-N 353.444 1.364 0 40 FDAB Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)nc2nc(O)nc(O)c12 534364191 YOQXFWOARARRCQ-LERXQTSPSA-N 370.409 1.822 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc1 36078835 OOBKRYJSUSQHHV-OAHLLOKOSA-N 351.428 1.819 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCN2c3ccccc3CC[C@H]2C)C[C@@H](C)O1 36395327 CWNYWLIYAACUMR-OAGGEKHMSA-N 367.515 1.771 0 40 FDAB CCn1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 74430393 JCHVIKUEFRDEGK-UHFFFAOYSA-N 362.455 1.191 0 40 FDAB CC(C)(C)OC(=O)N1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)CC1 34781526 KLJFRHSXCLMGOX-LXTVHRRPSA-N 372.462 1.167 0 40 FDAB Cc1noc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCCO4)CCN2C)n1 565001439 BJEZLKADIVFNRP-MRXNPFEDSA-N 356.426 1.761 0 40 FDAB Cc1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@]2(CNC(=O)C2)C1 562446418 ODLHBBAGXPAPDG-IBGZPJMESA-N 353.426 1.602 0 40 FDAB Cc1cc(N2CCOCC2)nc2sc3c(N(C)CCO)ncnc3c12 71281827 UZWCASUYXQUYDG-UHFFFAOYSA-N 359.455 1.813 0 40 FDAB COc1cccc(CNC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)c1 75155765 HKXLABNSBHGIMH-HXUWFJFHSA-N 354.406 1.262 0 40 FDAB O=C1COC[C@@H](C[C@@H]2CN(C(=O)NCc3cccnc3)c3ccccc32)N1 571788503 HEYORGNMXNYTCH-HZPDHXFCSA-N 366.421 1.800 0 40 FDAB CC(C)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 40009441 WLGANDPKYCWKCA-UHFFFAOYSA-N 354.472 1.810 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 225808802 COAFIISCWXWWPZ-ZDUSSCGKSA-N 357.366 1.436 0 40 FDAB COc1cc(OC)cc(C(=O)NCc2nccc(N3CCOCC3)n2)c1 224168558 TXALZMXTJMKLMY-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB COc1ccc(-c2nnsc2C(=O)NCCSc2ncn[nH]2)cc1 225887349 XTESKECGHQIIHB-UHFFFAOYSA-N 362.440 1.854 0 40 FDAB O=C(CN1CCN(c2ccnc3ccccc23)CC1)NC(=O)NC1CC1 333071057 AHSBTUVYVWKOLM-UHFFFAOYSA-N 353.426 1.345 0 40 FDAB C1CN(c2nc3c(c(NC4CC4)n2)CN(C[C@@H]2CCOC2)CC3)CCO1 96254153 WJNAXRXYKBUMDR-AWEZNQCLSA-N 359.474 1.282 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106789 RLNGGWGIOHSLBN-MRXNPFEDSA-N 356.426 1.796 0 40 FDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3ccccn3)C2)OC1)C1CC1 247312814 JBUNGVKIRXCEDL-AWEZNQCLSA-N 351.472 1.144 0 40 FDAB Cc1o[nH]c(=N)c1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 585084741 JYZOCMMGWCCCRU-AWEZNQCLSA-N 367.427 1.842 0 40 FDAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)cc(N(C)C)n1 257267967 MJSJNDFHJXWPHV-MRXNPFEDSA-N 355.442 1.835 0 40 FDAB Cc1cc(F)ccc1CC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257203289 APJGHDLSJUBTAO-ROUUACIJSA-N 350.434 1.361 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)N3CCC[C@@H](O)CC3)nc(C)n2)CC1 257256259 KKSHIYYMUKHICD-MRXNPFEDSA-N 374.485 1.672 0 40 FDAB CN1CCN([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)CC[C@@H]2O)CC1 257342708 ZPURUJXQJKTMQB-OALUTQOASA-N 356.470 1.381 0 40 FDAB Cc1oncc1NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 271026365 AOFOOXRYTFLQHK-UHFFFAOYSA-N 351.384 1.256 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 644035704 WWHBPQMYNOUAIX-LJQANCHMSA-N 356.426 1.284 0 40 FDAB O=C(c1cnc2c(O)cccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 95517889 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O=C(Cn1cccnc1=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257230128 GAYDJOHCIZUFLE-LZWOXQAQSA-N 357.385 1.698 0 40 FDAB CNC(=O)c1cnc(C2(C)CCN(C(=O)C3CCOCC3)CC2)s1 257212793 CEYTYSBHPAHZES-UHFFFAOYSA-N 351.472 1.809 0 40 FDAB CCn1cc([C@@H]2CN(C(=O)Cc3nn(C)c4ccccc34)CCO2)cn1 585140190 PYSCICPMMJBMFA-SFHVURJKSA-N 353.426 1.932 0 40 FDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257210857 BWKIWBGBMSHQBS-CQSZACIVSA-N 358.446 1.292 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc3ccccc3n2)c1=O 90591026 BPDLFLHGWTZOBF-UHFFFAOYSA-N 374.404 1.622 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1ccc2oc(O)nc2c1 1629963655 XNOIHYJPDVRKNO-CYBMUJFWSA-N 356.334 1.753 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cnn(Cc3ccccc3)c2)C1 643755579 YBDQMNVOPVDYFG-HXUWFJFHSA-N 356.470 1.737 0 40 FDAB COC[C@]1(C(=O)O)CCCN1C(=O)CCc1cc(OC)cc(OC)c1 643849273 YCKHWSZDIAYMCY-SFHVURJKSA-N 351.399 1.729 0 40 FDAB CS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 1116129188 HLYKZWIBWFANRK-VHSXEESVSA-N 369.468 1.946 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)CC1 653331799 WMNPODPHPKKTEN-CVEARBPZSA-N 359.426 1.809 0 40 FDAB CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CCOC2(C)C)C1 662077070 BSJZLRIVLYDNOS-RBUKOAKNSA-N 374.529 1.917 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2nccc3ccccc23)CCO1 681943149 TZEJHVLNIFTOQH-OAHLLOKOSA-N 371.393 1.009 0 40 FDAB O=C(CC1CCOCC1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585268939 FDNGYYTURKJZFD-IBGZPJMESA-N 351.418 1.775 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4nc5cnccc5s4)C3)nn12 1565520776 OOQYMYQMHLFTIB-UHFFFAOYSA-N 352.427 1.762 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12258185 OFPFMFFVZVHEDB-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)cc1 18063702 JQMLBNDVXQERQP-HNNXBMFYSA-N 359.382 1.074 0 40 FDAB CC(C)NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19449890 ATCUFEKREICWLP-IBGZPJMESA-N 359.426 1.085 0 40 FDAB CCN(CC)CC(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)ncc2C1 19526329 YJZJZSDADQGZJP-QGZVFWFLSA-N 359.474 1.387 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 643952874 DPTNAINBBCQLMU-INIZCTEOSA-N 354.790 1.436 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)c1 1888888118 OUFCRPGJNZMCJA-ZIAGYGMSSA-N 350.426 1.515 0 40 FDAB COc1ccc(CC(=O)NCC2(O)CSCCSC2)cc1OC 1889077928 VSUSSOKPEMJSJW-UHFFFAOYSA-N 357.497 1.574 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1Cl 239612056 FITAHNOVHUGJPB-UHFFFAOYSA-N 354.819 1.624 0 40 FDAB Cc1nocc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978236 KCFJNGSANXAZSZ-IBGZPJMESA-N 355.394 1.879 0 40 FDAB CCCn1nccc1C(=O)N1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037985388 ICXBYVKOQKJBRI-LJQANCHMSA-N 362.474 1.925 0 40 FDAB Cc1ncc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)c(C)n1 2056224045 PGUBNPOMSJIJMK-IYBDPMFKSA-N 352.442 1.872 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)[C@@]4(C)CC=CCC4)C[C@H]2O3)CC1 1565550094 OYOCEBOPGSZHRU-XLSPSMHOSA-N 361.486 1.123 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2ccccn2)C(=O)C1 1565522793 QOUCMPGXRZRZCF-UHFFFAOYSA-N 366.421 1.407 0 40 FDAB CC[C@H](C)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007684 QBTAIROBPTZSPE-AWEZNQCLSA-N 371.437 1.598 0 40 FDAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CCC2=O)nn1 1775975450 AZOVJHTXYZAXQF-PBWFPOADSA-N 373.457 1.419 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(Cn2ccnc2)cc1 585150603 WWBHRRAAJZCZPE-UHFFFAOYSA-N 363.421 1.407 0 40 FDAB COc1ccc(CCNC(=O)N[C@@H](CCSC)C(=O)O)cc1OC 2104498 ADRQULJQYVLJQK-LBPRGKRZSA-N 356.444 1.752 0 40 FDAB biogenic CS(=O)(=O)N1CCCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 40058025 INRQVEJMLNZZKM-CMDGGOBGSA-N 374.466 1.379 0 40 FDAB CC(=O)N1C[C@@H](C(=O)O[C@@H](C(N)=O)c2ccccc2)Oc2ccccc21 21488239 DTNYNUGFCVXIGO-DLBZAZTESA-N 354.362 1.570 0 40 FDAB CCc1cc2ccccc2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O 4849260 PGNVSUAYAAKWEX-UHFFFAOYSA-N 356.407 1.905 0 40 FDAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029250 ISRGDQHORQSNIX-OAHLLOKOSA-N 371.480 1.320 0 40 FDAB O=C(NCCCN1CCCCCC1)[C@H](Cc1ccccc1)n1cnnn1 41799941 NJOOZHPFTLFRFM-SFHVURJKSA-N 356.474 1.839 0 40 FDAB COc1ccc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)cc1 22725185 JZHPXPVIJZUKCV-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)[C@@H](C)N1CCCC1=O 100141357 SAEIIGQQKMFAHB-UMVBOHGHSA-N 353.426 1.637 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 47443248 VNRWHLHXHWKIAQ-UHFFFAOYSA-N 352.325 1.723 0 40 FDAB CCn1cnnc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 56066597 KKZDFZKIFSDLFA-UHFFFAOYSA-N 350.322 1.675 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccnc1-n1cccn1 23171279 AJYAHLVTYMXXRK-CHWSQXEVSA-N 351.366 1.157 0 40 FDAB C[C@]1(c2cccs2)NC(=O)N(CN2CCN(c3ncccn3)CC2)C1=O 24528496 ONDWAYPDYKKLQV-QGZVFWFLSA-N 372.454 1.085 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100982333 FKZWULLRYFIHQO-RKVXBYLHSA-N 352.390 1.687 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1OC 100917901 FVDHBXQOSUJIFW-NQUFMGSDSA-N 359.378 1.113 0 40 FDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 107333715 BMDPSQHQIZWBGF-RYQLBKOJSA-N 369.465 1.701 0 40 FDAB O=C(c1cnccn1)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 58279370 CJLSSVOHXJNZAI-UHFFFAOYSA-N 362.393 1.261 0 40 FDAB COc1ccc2oc(C(=O)N3CCN(S(C)(=O)=O)CC3)c(C)c2c1 58336858 XKCIZNCNMPSZRW-UHFFFAOYSA-N 352.412 1.467 0 40 FDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCSCC1 2258761 DPQMUJBZLSYRMB-UHFFFAOYSA-N 363.439 1.950 0 40 FDAB Cc1cc(NC(=O)c2sc(C)nc2C)n([C@@H]2CCS(=O)(=O)C2)n1 58667018 ASMMNOGSVWGMRV-LLVKDONJSA-N 354.457 1.877 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc2c(c1)OCO2 2334649 SUHRWBVGCSZXNG-AWEZNQCLSA-N 370.361 1.290 0 40 FDAB COc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 10997471 KWDBLFHYUGPHNG-GHMZBOCLSA-N 371.411 1.009 0 40 FDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 3449118 MQUIYLPUZMMUDG-FZMZJTMJSA-N 370.475 1.395 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1 49544073 YIMLNJIYFCHZFX-UHFFFAOYSA-N 351.366 1.531 0 40 FDAB CC(C)[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)O 13689852 NOEYHTAPSVFRQI-INIZCTEOSA-N 372.425 1.745 0 40 FDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 5008448 ZIOJMAVOOZXZQA-GFCCVEGCSA-N 356.444 1.241 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O 14085431 SWQGBVVXBXLMJP-UHFFFAOYSA-N 362.455 1.746 0 40 FDAB O=C(CNC(=O)c1ccc(OCC(F)(F)F)nc1)NCc1ccco1 14198700 DBAYRQNPOCQZMO-UHFFFAOYSA-N 357.288 1.662 0 40 FDAB COc1ccc(CCNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1OC 6661647 JFVHQPGITSIMJG-UHFFFAOYSA-N 369.425 1.660 0 40 FDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1 91774503 NBGRCOBUMMJEDN-ZDUSSCGKSA-N 353.785 1.891 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CCC21CCN(Cc2ccccn2)CC1 306140567 UXMJIVLXWFBNHF-UHFFFAOYSA-N 355.442 1.318 0 40 FDAB O=C([C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1)N1CCOCC1 8504297 KTTNNYSFUBUWQX-CQSZACIVSA-N 360.439 1.599 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCc2ccc(F)cc2)c(=O)[nH]c1=O 18119167 IREVLGYKJCJDNB-UHFFFAOYSA-N 362.405 1.654 0 40 FDAB CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1C 4943405 GQPSGINAMJBKEB-UHFFFAOYSA-N 369.425 1.185 0 40 FDAB COCCNC(=O)NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5958973 KRXOHBSOYPEQBL-CYBMUJFWSA-N 361.427 1.626 0 40 FDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1c2ccccc2NC(=O)C1(C)C 7203276 XFXGZXAODWMXGW-SECBINFHSA-N 372.454 1.886 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc2nsnc12 19079875 YJWKWFZOXHBBNG-UHFFFAOYSA-N 362.436 1.611 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c(O)c1 9513759 YZJXTABVSUIRCE-UHFFFAOYSA-N 362.407 1.987 0 40 FDAB CS[C@@H]1CN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C[C@H]1N(C)C 95444679 XZHUIUGRNRYWBM-ARFHVFGLSA-N 355.548 1.918 0 40 FDAB O=C1c2nn(Cc3ccccc3)c(=O)n2CCN1Cc1cccc(F)c1 98213171 UZRUIYVTJPDZCY-UHFFFAOYSA-N 352.369 1.888 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)CCc3ccc(-c4ccccc4)o3)C2)nn1 95997870 RTSUBAJLCWILFY-UHFFFAOYSA-N 365.393 1.653 0 40 FDAB COC(=O)c1cc2ccccc2cc1NC(=O)c1c[nH]c(=O)n(C)c1=O 75107668 BMHCNYURYXBSLF-UHFFFAOYSA-N 353.334 1.266 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2nnc(C)n2C2CC2)C1 547683228 HKCJYUDJEHUNJT-KRWDZBQOSA-N 360.487 1.924 0 40 FDAB COc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)c1 36548218 CCOUWMFEJPMSFF-SCLBCKFNSA-N 353.422 1.853 0 40 FDAB Cn1cncc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 1022548337 MQLSCKZISVMWOB-YXJHDRRASA-N 350.422 1.433 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408600827 CQFLMXPOVBHWTG-QWHCGFSZSA-N 358.460 1.292 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 30871280 YRTKDBVKAZJDFE-CYBMUJFWSA-N 359.517 1.217 0 40 FDAB CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 72369568 KYTXHMOEHKIXSF-NSHDSACASA-N 351.432 1.049 0 40 FDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc(C2CC2)cc1)C1CCOCC1 567691367 VPBASGDJVXLXAX-INIZCTEOSA-N 353.440 1.970 0 40 FDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 223290550 VVLCMOCCSXANCN-RUDMXATFSA-N 360.391 1.975 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c(C)c1 198354909 PQMNDCCWIOSGOZ-MRXNPFEDSA-N 358.486 1.527 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1 224929934 INSNFVSYBRAABQ-UHFFFAOYSA-N 361.423 1.186 0 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Cc1cc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)no1 96219928 XZIAMHBBXXFTGU-BMGDILEWSA-N 356.426 1.674 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@H]2C1 95476377 SQCZSJRHVHZMDK-MGPUTAFESA-N 370.453 1.725 0 40 FDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)n1 248149692 SVAJNRJEPCMLTA-INIZCTEOSA-N 356.426 1.653 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cccnc1)CC2 247833647 IGNKCXDYLAQSLG-MRXNPFEDSA-N 353.488 1.202 0 40 FDAB Cc1nc(C)c(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 42269068 GMFDYEJYPZWJQZ-UHFFFAOYSA-N 354.409 1.650 0 40 FDAB CCCn1ccnc1CN1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257299143 ROXBDKXQNYQRTO-CYBMUJFWSA-N 351.476 1.799 0 40 FDAB CC(C)Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)on1 257309120 TZPYCVFOVMQKRA-SFHVURJKSA-N 359.430 1.377 0 40 FDAB O=C(O)[C@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccc(Cl)cc1Cl 1602219208 FEQCUSLOKRLDHL-CKYFFXLPSA-N 350.198 1.253 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)c2cc(F)cc(Br)c2)C1 643997403 HIVQDDBPXHJKQI-CQSZACIVSA-N 359.195 1.431 0 40 FDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CC(Oc2ccncc2)C1 594169266 GKOGMHDOQWMGKN-LJQANCHMSA-N 365.433 1.905 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(Cl)c2C)CCO1 653552890 LPDOFRCZEPDAGO-CYBMUJFWSA-N 368.817 1.423 0 40 FDAB O=C1NC(=O)[C@@]2(CCC[C@H]2CNC(=O)c2ncsc2C(F)(F)F)N1 684287476 XGFKWIXABATQSP-QTTZVWFDSA-N 362.333 1.270 0 40 FDAB CCc1ocnc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)CC(C)C 1775992990 WHJJGEOOBRFIKD-KBPBESRZSA-N 351.447 1.876 0 40 FDAB CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3cnn4ccccc34)C2)CC1 603055038 ADHBOCDOAOUXQV-MRXNPFEDSA-N 356.474 1.967 0 40 FDAB CC(C)(C)c1cc(=O)n(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cn1 1615580821 FMXFDTPMCOBECC-CQSZACIVSA-N 350.440 1.678 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1 90613482 VHFLOGWXJFATBL-INIZCTEOSA-N 374.393 1.861 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCc2cnn(C)c2C)[C@H]1c1ccnn1C 613041282 UXEHJEGRRJVECO-YOEHRIQHSA-N 358.446 1.078 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O 585093303 OJIPLKOMYFBVFI-INIZCTEOSA-N 353.369 1.428 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-n3ccnc3)nc1)CS2 58343869 YTAVHZWLQDMAJI-GUYCJALGSA-N 357.439 1.338 0 40 FDAB O=C([C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F)N1CCOCC1 66935954 SCDRXQBKTJULBD-CYBMUJFWSA-N 374.409 1.367 0 40 FDAB CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](C(F)F)C2)cc1 585080164 YPLLFKOMEVHQRE-CYBMUJFWSA-N 362.398 1.020 0 40 FDAB O=C1NC2(CCCCC2)C(=O)N1CCN1C(=O)NC2(CCCCC2)C1=O 5437872 AVJHPTYERUQVQA-UHFFFAOYSA-N 362.430 1.496 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN(C)C 13675275 KTBQOCROVWZLCS-UHFFFAOYSA-N 367.515 1.851 0 40 FDAB O=C(c1ccccc1F)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179849 YGZIIWDVQUYDOE-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)CC(C)C)C2)c2nccnc21 19446242 OALMOCNHBDVZAY-AWEZNQCLSA-N 358.446 1.324 0 40 FDAB CC(=O)OC[C@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccncc1 643587404 DQDKKHSLKFYBBR-LJQANCHMSA-N 359.426 1.632 0 40 FDAB COc1ncc(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)cn1 575608445 SQZFFIFTVSPEJB-SECBINFHSA-N 356.308 1.131 0 40 FDAB Cc1nc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)c2ccncc2n1 1889213076 QPOSWQMSBOFHKW-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)N3CCOCC3)C2)cc1C 2037915918 AXIGDDDJKOEEBE-HXUWFJFHSA-N 362.470 1.368 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 1565546111 UCIWIMJEZIGURF-NHAYFPRASA-N 355.438 1.315 0 40 FDAB CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)cn23)n(C)c1=O 4912272 VVHRVBYPEJSABA-UHFFFAOYSA-N 367.409 1.784 0 40 FDAB Cc1csc(C(=O)N2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)c1 2055839596 YHVFGRJFHQUGSW-AWEZNQCLSA-N 366.483 1.925 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1cccs1 225584543 YWHOCPJDWABSAL-UHFFFAOYSA-N 367.394 1.882 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccoc3)o2)CC1 575611341 UWXMBBUKPUHJSF-UHFFFAOYSA-N 352.412 1.827 0 40 FDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)N(C)C)cc1 40266533 FXANEZJTIOLCOB-INIZCTEOSA-N 372.425 1.456 0 40 FDAB COc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1OC 31334009 KOQCNIBTIXJOKK-UHFFFAOYSA-N 354.366 1.838 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC 848839 PKIIOZAICIYOSN-CQSZACIVSA-N 362.474 1.934 0 40 FDAB COCCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6321499 IEOXDRXQOHNURT-UHFFFAOYSA-N 356.488 1.849 0 40 FDAB O=C(Oc1ccc(-c2nnco2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 7779867 WWYWRUXILWKEGU-UHFFFAOYSA-N 372.362 1.140 0 40 FDAB CNC(=O)c1nn(C[C@@H](O)COCc2ccccc2)c(=O)c2ccccc12 32907295 CAOXQRSNHSUBEZ-OAHLLOKOSA-N 367.405 1.334 0 40 FDAB C[C@]1(NC(=O)c2ccc3c(c2)NC(=O)CCS3)CCS(=O)(=O)C1 32970993 VFUUKVHJHWPPDS-HNNXBMFYSA-N 354.453 1.428 0 40 FDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCC1 798637 MROOTJAHNSWLFU-UHFFFAOYSA-N 352.456 1.909 0 40 FDAB CC(=O)Nc1nc(COC(=O)c2cccc(S(C)(=O)=O)c2)cs1 24920560 CTSQSCLQHCNZRW-UHFFFAOYSA-N 354.409 1.862 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)CSc1nnnn1C1CC1 24993457 CIAMXJAILIVYDD-CQSZACIVSA-N 372.454 1.730 0 40 FDAB O=C([C@H]1CSCN1C(=O)c1cc(-c2ccco2)[nH]n1)N1CCOCC1 25046976 QRBMXVYHUAOZAJ-CYBMUJFWSA-N 362.411 1.044 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1c(F)cccc1F 106861650 VDQKBTOGCZLRDG-BNBDDXAPSA-N 360.360 1.431 0 40 FDAB CC(=O)CCCOC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 75611622 HZZKOXJXKRQYFV-UHFFFAOYSA-N 360.476 1.342 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1 25776832 WGYZHVKMZMILMY-UHFFFAOYSA-N 368.377 1.586 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@@H](C)O1 25826456 NJDBLHUUNOIDFY-IXDOHACOSA-N 373.497 1.905 0 40 FDAB NC(=O)C1(CNC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)CCOCC1 57011279 KIZKCLBKVJMZGU-JTQLQIEISA-N 371.846 1.293 0 40 FDAB C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@H]1O 108234913 RLUORQGMBKDXPO-VGNBXXSOSA-N 352.434 1.675 0 40 FDAB biogenic CNc1nnc(SCc2nnc3n(C)c(=O)c4ccccc4n23)s1 12533883 PUJDJJWBSVGWKB-UHFFFAOYSA-N 359.440 1.767 0 40 FDAB CN(C)c1cc(C(F)(F)F)nc(NC2CCN(S(C)(=O)=O)CC2)n1 78548616 RNQSGECCSKNEIS-UHFFFAOYSA-N 367.397 1.397 0 40 FDAB COc1cccc(CC(=O)N2CCN(C(=O)NCc3cc(C)on3)CC2)c1 58158647 VXXNTZGWJYBAHT-UHFFFAOYSA-N 372.425 1.588 0 40 FDAB Cc1ccc([C@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)N(C)C)cc1 58180950 ACUZXTZYJDLSKW-INIZCTEOSA-N 358.442 1.032 0 40 FDAB CC[C@@](C)(NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)C(=O)OC 58268440 GUUCZZRERBIEMO-LJQANCHMSA-N 373.457 1.896 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)C)c1ccc(F)cc12 2265553 VSJWLRFVFIMCFK-MRXNPFEDSA-N 364.402 1.736 0 40 FDAB COc1cc(C(=O)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 28199759 YNHAPJOWSIKUNQ-CHWSQXEVSA-N 364.442 1.947 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)cc1 10677810 GZMOUKCNUMYECB-MRXNPFEDSA-N 366.464 1.764 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ncsc3c2)s1 11201818 NWEPBRHHHXFEFG-UHFFFAOYSA-N 353.450 1.935 0 40 FDAB COc1cc(C(=O)NCc2ccco2)ccc1OCC(=O)N1CCOCC1 3354874 WHSJLZPQGRPQLR-UHFFFAOYSA-N 374.393 1.456 0 40 FDAB CCOc1ncccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3317415 JHIMAXFELXSAMY-UHFFFAOYSA-N 358.350 1.682 0 40 FDAB CC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 3343561 VPWCBLAHBALOGF-SFHVURJKSA-N 353.422 1.280 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(C)s2)cc1 12764503 USBFERJBICTCRC-UHFFFAOYSA-N 355.441 1.629 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 48312221 XUZXCGMWZNOPKE-LLVKDONJSA-N 373.862 1.467 0 40 FDAB Cn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)cn1 306138804 SHWJBCGHYVDUNN-RBSFLKMASA-N 354.401 1.028 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 12897184 ZNGULTRPLVLVQC-PHIMTYICSA-N 360.863 1.840 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 3595954 OTZRLQDVYPZBBP-BUXKBTBVSA-N 373.409 1.912 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 12913681 PVEUFEPIRAEOTB-ZIAGYGMSSA-N 367.471 1.257 0 40 FDAB O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCN(c2ccccn2)CC1 67283444 XHPVDYASTLKHPF-UHFFFAOYSA-N 366.400 1.823 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 4008903 NBHKZBUEPMJOOR-OGRXGRENSA-N 373.792 1.873 0 40 FDAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 20017981 CKFGYTABUNZHLR-GFCCVEGCSA-N 370.471 1.553 0 40 FDAB O=C(Cn1nnc(COc2ccccc2)n1)NCCc1ccccc1F 39995579 KJGYATPAXXTIPZ-UHFFFAOYSA-N 355.373 1.750 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)no1 9306756 KUCXECHSLQLWLB-WVSUBDOOSA-N 365.389 1.586 0 40 FDAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccco1 14182611 DJWLDSCQXCGHEP-HNNXBMFYSA-N 350.440 1.863 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350959 ZVGYEUXMVCRQME-JQWIXIFHSA-N 351.476 1.428 0 40 FDAB CCCCn1ncc(NC(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1C 92822679 XCZQLDSOMFBSHU-CYBMUJFWSA-N 357.480 1.537 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nn1-c1ccccc1 7233173 OEKFOHOKGBXLMH-NSHDSACASA-N 356.382 1.751 0 40 FDAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2nnn(-c3ccccc3)c2=O)c1C 9478525 GNESTSYBIIGZGO-CQSZACIVSA-N 369.425 1.938 0 40 FDAB C[C@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)C(=O)N1CCCC1 69381542 FNETUYXRANODIY-AWEZNQCLSA-N 369.425 1.424 0 40 FDAB O=C1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)c2ccccc2N1 9583922 ZDOPGVCLGRDCNQ-UHFFFAOYSA-N 362.382 1.975 0 40 FDAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)n[nH]c1=O 9815774 HAGGIGOPDNMNJV-UHFFFAOYSA-N 364.427 1.874 0 40 FDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc([S@](C)=O)cc1 89840232 WVKSVDZLBOVKJT-QKFKETGDSA-N 354.497 1.711 0 40 FDAB Cc1cc(=O)n2nc(CN3CCN(c4ccccc4O)CC3)sc2n1 20962188 CASVVKKCQPXTSZ-UHFFFAOYSA-N 357.439 1.487 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)c1cccs1 306126467 DWTTVHJGFPPXKS-KBXCAEBGSA-N 371.466 1.843 0 40 FDAB Cc1c(C)[n+]([O-])c([C@H](C2C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CC=CCC2)n1C 524734099 XCSXZLOFSVASSJ-KBPBESRZSA-N 374.441 1.382 0 40 FDAB COc1ccccc1CNc1nc(N2CCOCC2)c2nccnc2n1 32100887 ZTRPQBPKBHNZBP-UHFFFAOYSA-N 352.398 1.877 0 40 FDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)NCc2ccccc2)c1 217472178 VLZDKAZXTNDSOP-UHFFFAOYSA-N 350.396 1.268 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 72338968 CNPQLLVHIADDDV-SZUSHISOSA-N 369.465 1.715 0 40 FDAB CCCCN1CCOC[C@@H]1C(=O)NCC(=O)N1CCCc2ccccc21 184317909 VPLKQVLNRMAFNO-GOSISDBHSA-N 359.470 1.583 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980234 KIYDFLAFOIENGW-AWEZNQCLSA-N 354.353 1.702 0 40 FDAB CCc1nc([C@H]2CN(C(=O)[C@@H]3CCCN3c3ccccc3)CCO2)n[nH]1 329890821 GVIPMZOGBRVSET-JKSUJKDBSA-N 355.442 1.936 0 40 FDAB CC(C)N(C[C@@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C 48273826 FVRRPTPLNZVXQS-UONOGXRCSA-N 370.494 1.927 0 40 FDAB CC1(Cn2cc(C(=O)N3CCN(Cc4cccs4)CC3)nn2)COC1 329495749 FTMBSDMTQRCOTE-UHFFFAOYSA-N 361.471 1.334 0 40 FDAB COC(=O)CN(CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H](CO)CC1 575366290 IXQVGOSEUUHCNG-SHTZXODSSA-N 358.479 1.879 0 40 FDAB CCc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222661894 MHSHMNXMAFDJFM-UHFFFAOYSA-N 357.410 1.772 0 40 FDAB CC(C)(C)CC[C@H](NC(=O)c1ccccc1SCC(N)=O)C(N)=O 1586423918 MQQFGJCPFZTEPZ-LBPRGKRZSA-N 351.472 1.674 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c1C 332421182 QNTBYHDRZVJTSQ-UHFFFAOYSA-N 370.457 1.653 0 40 FDAB Cc1occc1C(=O)N1CC[C@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1 96225616 IZNPGQGLHVSWCQ-UGSOOPFHSA-N 361.398 1.244 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(c3ncc(F)cn3)C[C@H]2O1)NCc1ccccn1 96206902 QGZXSLXUFJIIIE-VBNZEHGJSA-N 357.389 1.311 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 247938867 HQWNWHDFUSSROF-ZBFHGGJFSA-N 355.460 1.138 0 40 FDAB COCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F 257319207 VRHCNLSNVGCZMZ-PBHICJAKSA-N 352.406 1.514 0 40 FDAB c1cc2nncn2nc1N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 253596223 ORBQOPZLJUIFGH-INIZCTEOSA-N 373.457 1.553 0 40 FDAB Cc1n[nH]c(C)c1-c1cnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257236841 HDZYUDSYGGVSQD-ZDUSSCGKSA-N 364.475 1.469 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2C2(C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(O)nc2)N1 257216962 CWWHBMDNGDYYSD-HCZQXPCPSA-N 372.425 1.359 0 40 FDAB NC(=O)c1cn(C2CCN(C(=O)N[C@@H]3CCc4c(F)cccc43)CC2)nn1 623496700 HPJSVUQPHIFAQO-OAHLLOKOSA-N 372.404 1.550 0 40 FDAB Cc1cccc(-c2cncc(C(=O)N3CCC[C@](O)(CC(N)=O)C3)c2)c1 644004164 AERCLANUCLCDIH-FQEVSTJZSA-N 353.422 1.900 0 40 FDAB CC(C)c1ccnc(N2CCN(c3nccc4c(O)ncnc34)CC2)n1 656161932 LKANVAMWKNVDSL-UHFFFAOYSA-N 351.414 1.970 0 40 FDAB CC[C@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)c1ccccc1 96097924 CRPBNOXATCANPU-HNNXBMFYSA-N 352.398 1.134 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 585100983 QCHOHZWGGZLXPE-QGZVFWFLSA-N 357.439 1.901 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCCc1ccccn1 57451643 INKXXBFVGMOKIO-OAHLLOKOSA-N 354.476 1.128 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 14162856 REHOMSUWQHXONN-HNNXBMFYSA-N 372.425 1.532 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(c2cccc(F)c2)=NO1 36396904 QTFWFRZNQYOWOY-OAHLLOKOSA-N 352.329 1.933 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2nccn3nc(C4CC4)cc23)C1)C1CC1 1889138847 AYRSXLJFFCOXJY-CYBMUJFWSA-N 361.471 1.657 0 40 FDAB Cc1cccc(NC(=O)CSc2nc(=O)c3cnn(CCO)c3[nH]2)c1C 15881208 VBFOXTOAQFHKLK-UHFFFAOYSA-N 373.438 1.460 0 40 FDAB CN(C)c1nc(CNC(=O)Cc2cn(C)c3ccccc23)nc(N(C)C)n1 575607913 QWFURIZQRAQXHK-UHFFFAOYSA-N 367.457 1.354 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(Cc2ccc(C(N)=O)cc2)CC1 51099806 QFSDMSPIYRUYBC-UHFFFAOYSA-N 358.467 1.945 0 40 FDAB Cc1ccc2oc(C(=O)N3CCN(c4cnccn4)CC3)cc(=O)c2c1 11544926 NGQWDSXXZMHLCJ-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 45867446 SRKWUQFUWNHQTJ-JQWIXIFHSA-N 350.385 1.356 0 40 FDAB O=C(NCc1ccccn1)c1nc(COc2ccc3c(c2)OCO3)no1 20714484 MESKNPMYAAMHCV-UHFFFAOYSA-N 354.322 1.702 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccc2c(c1)OCO2 32744809 YOPYSLPXPVPKDJ-UHFFFAOYSA-N 373.434 1.900 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 4163147 AUYFZVWCDPWHLQ-BBRMVZONSA-N 370.471 1.535 0 40 FDAB Cc1ccc2c(c1)N(CCC(=O)OCC(=O)NC1CCCC1)C(=O)CO2 4898675 IQERIJKRTURYIR-UHFFFAOYSA-N 360.410 1.713 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(O)c1 6120074 FHVUBXNDCAUWJC-UHFFFAOYSA-N 358.350 1.127 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)Cc2ccc(OC)cc2)CC1 7986132 AERBKFRLMAJKDM-UHFFFAOYSA-N 364.398 1.082 0 40 FDAB Cc1cc(C)cc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 102610069 UGBGUAQVWHZEJX-XJBGLIRHSA-N 358.394 1.264 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccc(OC(F)F)c1 50367439 HVWGKUOHDXFQPA-UHFFFAOYSA-N 353.325 1.222 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 9926489 AJUIFUXCYYITJX-ZDUSSCGKSA-N 364.365 1.871 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)OCc1ccc(Cl)cc1Cl 58916799 NUIKLAMUUVNMIB-UHFFFAOYSA-N 352.239 1.767 0 40 FDAB CC(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 22892750 CSMDKEXTVRGWBA-UHFFFAOYSA-N 363.418 1.594 0 40 FDAB O=C(CNC(=O)NC1CC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 54366986 WRFWKXVKQRVDMB-KRWDZBQOSA-N 367.453 1.887 0 40 FDAB COC(=O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 24053041 HKDMCTTYAKSYCG-UHFFFAOYSA-N 360.462 1.461 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 24224418 QHENLROKPNLOMF-UHFFFAOYSA-N 374.462 1.836 0 40 FDAB Cc1cccc(OCCN2CCN(c3ncnc4c3cnn4C)CC2)c1 25072407 KFWILCJNQUIDBT-UHFFFAOYSA-N 352.442 1.873 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 10302032 ZDOOYKDEUYOZKZ-UHFFFAOYSA-N 360.388 1.283 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)NC(=O)c2ccccc2)cc1 10490694 HDPMJNHWLSCNQA-UHFFFAOYSA-N 361.423 1.413 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 56756612 UFROQNKIAYHUEK-OAHLLOKOSA-N 368.441 1.013 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)C2CC2)CC1 35286688 SCLCOKFIUIXROW-CYBMUJFWSA-N 350.463 1.088 0 40 FDAB Cc1noc(C)c1COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 21490065 GRHQMSBIHYQHFF-UHFFFAOYSA-N 350.396 1.971 0 40 FDAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCOCC1 22246249 VDPQBYFQHNEJMS-GOSISDBHSA-N 374.462 1.435 0 40 FDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1=O 22607728 BSILVSCAUJGQKN-GFCCVEGCSA-N 355.398 1.632 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(=O)NCc1ccco1 24181082 AYKVTBPPEKBBBL-UHFFFAOYSA-N 373.800 1.868 0 40 FDAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1 12792229 SEMGKTAPKJMPKI-GZMMTYOYSA-N 353.762 1.198 0 40 FDAB COc1ncccc1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 13011647 QGDFXWLYEICKLU-UHFFFAOYSA-N 369.377 1.417 0 40 FDAB CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3CCc2ccccc2)n(C)c1=O 4038216 GMOUXONDTOYBTR-AWEZNQCLSA-N 367.453 1.615 0 40 FDAB C[C@@H]1CN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 14114577 JONWUQMPWOBLFA-ZIAGYGMSSA-N 359.426 1.179 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1nnc2ccccn12 5452244 GCVHHZQCCSLVEU-SFHVURJKSA-N 365.437 1.843 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)N1CCCC1 69922424 QABVWAJPZVALRL-LLVKDONJSA-N 350.396 1.082 0 40 FDAB CCOC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6673092 MGESCJIANLKUIZ-QWHCGFSZSA-N 354.453 1.325 0 40 FDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cnccn2)c(=O)[nH]c1=O 14623550 BGEJHTNYMAAISP-UHFFFAOYSA-N 374.445 1.402 0 40 FDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1CCCC1 4996014 QZQQBPWKYJDPNW-LBPRGKRZSA-N 368.455 1.541 0 40 FDAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NCc2ccco2)nc1N 15278943 OBGNDKPIGKWYOP-VIFPVBQESA-N 350.400 1.626 0 40 FDAB NC(=O)c1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 16126941 HTQVURVAXHMYEN-UHFFFAOYSA-N 353.334 1.346 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C(N)=O)C2=O 8192103 VFJIWQYERZPWPH-JDNHERCYSA-N 364.427 1.286 0 40 FDAB CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCOC[C@H]2C)s1 93907657 CUWNCTYFSMPOEZ-CYBMUJFWSA-N 374.528 1.862 0 40 FDAB COCC[C@@H](NC(=O)Nc1cccc(Cn2nc(C)cc2C)c1)C(N)=O 97034171 KKIPBXIUCYWCPE-MRXNPFEDSA-N 359.430 1.560 0 40 FDAB CCC(CC)[C@@H](CNC(=O)Nc1cnn(CCOC)c1)N1CCOCC1 71925605 RRCOXKZKIKYEQU-QGZVFWFLSA-N 367.494 1.788 0 40 FDAB CN1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cnccn2)no1 20464016 KQJNQRBVUHFBNC-ZFWWWQNUSA-N 371.445 1.904 0 40 FDAB biogenic,in-vitro CCSc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)cn1 72309330 JOTOFGOHZOHFMH-ZDUSSCGKSA-N 351.472 1.903 0 40 FDAB O=C(N[C@H](C(=O)NC[C@@H]1COCCO1)c1ccccc1)c1ccccc1 84519391 HXHOQXFBVWUKID-MSOLQXFVSA-N 354.406 1.689 0 40 FDAB O=C(NCCCOCc1ccco1)N1CCC[C@H](N2CCNC2=O)C1 95945371 ZLUZPOXRIQDPMQ-AWEZNQCLSA-N 350.419 1.386 0 40 FDAB CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 119235635 XFXCDQMALGVRNN-CYBMUJFWSA-N 373.906 1.419 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCCCOCC)ccc1OCC 408700402 FMUAOHKBBVVWEK-UHFFFAOYSA-N 358.460 1.540 0 40 FDAB O=C(Nc1cccc(N2CCOCC2)c1)N1CCC[C@@H](n2ccnn2)C1 515468918 KMXYRNZWHGWUET-QGZVFWFLSA-N 356.430 1.984 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 3108450 HTVDMLDHTTWATO-MDLJMBGESA-N 363.410 1.699 0 40 FDAB biogenic C[C@@H](O)CN(C[C@H](O)COc1ccccc1Br)C[C@@H](C)O 35590856 UACNSABIGZXIHA-UPJWGTAASA-N 362.264 1.252 0 40 FDAB CC(=O)NC[C@@H]1CN([C@@H](C(=O)O)c2cccc(Br)c2)CCO1 566360020 OPLGNFIDIBFOHL-ZIAGYGMSSA-N 371.231 1.412 0 40 FDAB CS(=O)(=O)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 72335431 YWMGBFGBXJMNBN-UHFFFAOYSA-N 353.469 1.643 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)C1 72334260 RQCNORRYIIJULM-UUTPRLPQSA-N 368.433 1.771 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1 224240186 QLKWKGGFBLKQSU-UHFFFAOYSA-N 352.416 1.038 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC(C)(C)C)cc1 223822611 CFVHZIZSFIYTII-UHFFFAOYSA-N 374.528 1.964 0 40 FDAB COc1ccc(-n2cc(CNC(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)nn2)cc1 572715873 CSQXRALBTRIXBO-XMTFNYHQSA-N 367.409 1.371 0 40 FDAB O=C(c1ccccn1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96048965 HXGNRZBAQRRJKE-UHFFFAOYSA-N 352.438 1.984 0 40 FDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2cc(OC)ccc2[nH]c1=O 95477602 LXXUUDGMBMDKFC-GFCCVEGCSA-N 357.366 1.969 0 40 FDAB Cc1nc(CN2CCc3nc(N4CCOCC4)nc(C)c3CC2)cs1 96254565 NJGXVPILGKSWAZ-UHFFFAOYSA-N 359.499 1.987 0 40 FDAB Cc1cccc(CN2Cc3cncn3C[C@@H](COCC(=O)N(C)C)C2)c1 96217324 PFJBAJKEFXHNQW-SFHVURJKSA-N 356.470 1.928 0 40 FDAB Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCCc3ccccc3)C2)cn1 96110134 QYWJRFJRQVVRPN-UYAOXDASSA-N 354.454 1.227 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)CN1CC1CC1 247965799 SDNITCLIRUCYQB-GOSISDBHSA-N 371.481 1.355 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257237461 HGOKRMGUKLELCS-GFCCVEGCSA-N 351.432 1.223 0 40 FDAB Cn1cncc1-c1cncc([C@H]2CCCN(CC3(O)CCOCC3)C2)n1 257223223 DWKWZLXMOUZKFD-HNNXBMFYSA-N 357.458 1.598 0 40 FDAB COc1cc(CCC(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)on1 257307267 SXYAAHNTNNVWMV-HNNXBMFYSA-N 359.430 1.831 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cc(-c3cncc(C(=O)O)c3)ncn2)C1 257211970 CBIXSSYJNMCNJY-LLVKDONJSA-N 362.411 1.061 0 40 FDAB CCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1c1ncc[nH]1 585084960 JVVLOGZFTWKCKH-GFCCVEGCSA-N 370.379 1.839 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257211144 BXRBMUGGQJJTCO-OAHLLOKOSA-N 352.460 1.522 0 40 FDAB Cc1n[nH]c(C)c1-c1nccnc1C1CCN(S(=O)(=O)N(C)C)CC1 257302654 SDSPHBRNIFBLPN-UHFFFAOYSA-N 364.475 1.469 0 40 FDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)Cn3cccn3)CC[C@@H]2O1 257292392 QLGKOVJPWYNDSN-HHXXYDBFSA-N 356.426 1.753 0 40 FDAB Cc1cc(CN(C)C(=O)[C@]2(C)CCCN(C(=O)CCn3ccnc3)C2)no1 257279801 OIFJCAABUXMRPO-LJQANCHMSA-N 373.457 1.857 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(C)nc(N)n1 257319689 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CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)[C@@H]21 585262391 LSCIBCXDVNOKAU-UTRMSSBJSA-N 370.380 1.871 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)n[nH]1 585113498 RXEQNXNDVWQBET-AWEZNQCLSA-N 359.386 1.830 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)N1CCN(C2CCCCC2)CC1 44226194 PTKLPNCXTRUKAX-UHFFFAOYSA-N 369.469 1.659 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)CCc1ccc(OC)c(F)c1 643953618 WVTBAOBMEMBKLS-GOSISDBHSA-N 352.406 1.521 0 40 FDAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(Cn3cncn3)C2)CC1 952964948 QGNCRIPCOLNKNL-UHFFFAOYSA-N 363.462 1.774 0 40 FDAB Cc1nccn1CCC(=O)N1CCc2nc3ccccc3c(=O)n2CC1 12087611 PYMGUUBCBRKMKB-UHFFFAOYSA-N 351.410 1.376 0 40 FDAB Cc1ncc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cn1 12121355 BRAMVHCZWXIWIW-UHFFFAOYSA-N 353.473 1.420 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)c1cccs1 12924408 FACNOHKENDYSDM-CYBMUJFWSA-N 374.422 1.152 0 40 FDAB COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 16188136 FDRADVMNPWPSPZ-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB 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1.994 0 40 FDAB COc1ccccc1CCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 24591838 QINZYPIHCWPGHL-UHFFFAOYSA-N 373.453 1.951 0 40 FDAB C[C@@H]1C(=O)[C@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@@]1(C)[C@@H](C[C@H]3O)C(C)(C)CC[C@H]1O 103214082 GPITUBGISIVOSF-OEDNBHRLSA-N 352.471 1.118 0 40 FDAB COCCCNC(=O)CN(C)c1cc(C)nc2nc(C(F)(F)F)nn12 26700068 BUCAVPWCQDRZLK-UHFFFAOYSA-N 360.340 1.040 0 40 FDAB C[C@H]1c2nc(CC(=O)NCC3CCC3)cn2CCN1Cc1cnn(C)c1 306129964 ISRZNELEPRAUHP-AWEZNQCLSA-N 356.474 1.652 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)C(=O)N1CCOCC1 58202103 BSLYHPVIDLNIKH-OAHLLOKOSA-N 370.453 1.395 0 40 FDAB C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 58208829 WIMXBSFNFNMICQ-KGLIPLIRSA-N 370.409 1.389 0 40 FDAB CCCCc1noc(CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 58202677 NTYSTAUNTJZMHJ-INIZCTEOSA-N 363.506 1.931 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1cccnc1-n1cccn1 48196177 WOULXTROXVZXDB-UHFFFAOYSA-N 361.369 1.565 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 58414300 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372.493 1.750 0 40 FDAB CCOCC(=O)NCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 3895843 NYSLSWVDMFCUSP-VMBOVVBDSA-N 369.506 1.222 0 40 FDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC(=O)Nc1ccccc1F 6055131 JMMAVPXGCDNIEI-HNNXBMFYSA-N 374.324 1.857 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 14093820 RRQQMTSFZQPKLL-AWEZNQCLSA-N 365.411 1.336 0 40 FDAB CN(CCCNS(C)(=O)=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 65553035 BLNFMKJPYWYLMH-KBPBESRZSA-N 367.298 1.823 0 40 FDAB O=C(NC1CC1)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 14197223 SWJHADMUNUCOST-LSDHHAIUSA-N 359.455 1.964 0 40 FDAB COC(=O)c1cc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 6584508 LQOYOXMJPZIBMU-UHFFFAOYSA-N 359.769 1.739 0 40 FDAB CN(C)c1nc(N)nc(COc2ccc(I)cc2)n1 8775265 ZBQSTHNEGFKEKF-UHFFFAOYSA-N 371.182 1.703 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1OC 4815316 YAKCVJHQJDPLMG-ZDUSSCGKSA-N 370.471 1.773 0 40 FDAB CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)cc1 409305762 OBCUXUCCZMJTDA-JEWRLFTDSA-N 357.362 1.461 0 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O=C(O)C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 97696053 XXJPOLCUCJXGCE-JTQLQIEISA-N 364.217 1.313 0 40 FDAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1C 95357404 OBRDPRPGRXIHOL-GOSISDBHSA-N 372.513 1.870 0 40 FDAB O=C(NCCc1nc2c(s1)CCCC2)NC[C@H]1CCCS1(=O)=O 95980107 HTYDRWITHDWWDD-LLVKDONJSA-N 357.501 1.441 0 40 FDAB CCOCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999084 XDLNOSGSXSBJMP-HNNXBMFYSA-N 352.456 1.406 0 40 FDAB COc1cc([C@@H]2NCCC(=O)N2)cc(I)c1OC 408738669 UPECHAJCEHNUSK-GFCCVEGCSA-N 362.167 1.417 0 40 FDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)Cc1cc(F)c(F)cc1F 1551461751 RYROMDURTAUBPT-QMTHXVAHSA-N 354.332 1.796 0 40 FDAB Cc1cc(-c2nnc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)o2)n(C)n1 38488066 CCXYATZLUMKNJE-YGRLFVJLSA-N 355.354 1.946 0 40 FDAB COC(=O)c1ccsc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 70641564 JRYVKHJVGJOMMA-CQSZACIVSA-N 374.418 1.901 0 40 FDAB Cc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35360361 NTQMPZXGYNPKCJ-KXBFYZLASA-N 351.450 1.830 0 40 FDAB 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ATTZFRFUZMCMRN-ZDUSSCGKSA-N 364.475 1.469 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(C)cc1 257325465 WTABZNVNHRRYOK-QUCCMNQESA-N 373.497 1.743 0 40 FDAB O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)c1ccc2c(c1)CCCC2 257237718 HHVMXIYXBVWCLM-FQEVSTJZSA-N 352.438 1.727 0 40 FDAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 604382303 NPZOPUASDGLTKE-NCXUSEDFSA-N 356.470 1.685 0 40 FDAB biogenic,in-vitro Cn1nnc(CN2CC[C@@H](C(=O)O)c3cc(Br)ccc32)n1 635017902 BVPSWSGBFJUUER-SECBINFHSA-N 352.192 1.551 0 40 FDAB COc1ccc(-c2cncc(C(=O)N3CCC(O)(CN)CC3)c2)c(C)c1 638354129 HEMRPAARLGCXPW-UHFFFAOYSA-N 355.438 1.991 0 40 FDAB O=C(CN1CCC[C@H](n2ccnn2)CC1)N1CCC(c2ccccc2)=N1 639814833 IDQHPIFPTAREKS-KRWDZBQOSA-N 352.442 1.942 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 681940952 FKWWWHIQVKSVSJ-CYBMUJFWSA-N 369.487 1.575 0 40 FDAB CO[C@H]1CCCN(C(=O)CN2CCOCC2)[C@H]1Cc1ccccc1F 585276566 MVMZJQKIPXDZEB-ROUUACIJSA-N 350.434 1.706 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 585100981 QBWUPOCSFDOWMS-SFHVURJKSA-N 355.398 1.361 0 40 FDAB CC(C)[C@@H](C(=O)N[C@@H](C)Cn1cccn1)N1C(=O)c2ccccc2C1=O 58201240 POEFUHUKGYXOQQ-BBRMVZONSA-N 354.410 1.709 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1C(=O)NCC(N)=O 1616032304 SWMOBBBYJUMHJZ-HOCLYGCPSA-N 361.442 1.771 0 40 FDAB N=C(N)SCc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 5664692 NSCZBROZZDLANA-UHFFFAOYSA-N 354.391 1.754 0 40 FDAB C[C@@H](CN1CCCCC1)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 19749612 SWMVOJNOMVEQFZ-HNNXBMFYSA-N 370.457 1.521 0 40 FDAB CN(C)C(=O)Cn1cccc(C(=O)NCC(C)(C)c2cccc(F)c2)c1=O 19751496 YHBYWSULFGBLDJ-UHFFFAOYSA-N 373.428 1.783 0 40 FDAB Cc1noc(CN2CCN(C(=O)[C@@H]3CCN(c4ccccc4F)C3)CC2)n1 576317822 QGAVXUSEITWVNF-OAHLLOKOSA-N 373.432 1.688 0 40 FDAB Cc1cc2ncnc(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)c2[nH]1 1888890477 AFPZWZQJCPZWME-GJZGRUSLSA-N 361.405 1.888 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3nccn4nc(C)cc34)CC2)n1 1889136220 JKUHGXQLPXVLCS-UHFFFAOYSA-N 352.446 1.529 0 40 FDAB Cc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c2c(C)nn(C)c2n1 25448752 XPIRWKMSOVEZNN-UHFFFAOYSA-N 373.438 1.793 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccc(F)c(F)c1)CCO2 2037984109 QPPBREFGNJVPRW-GOSISDBHSA-N 354.397 1.803 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5cc(C)ncn5)C[C@H]4C3)ncnc21 2087026223 WFJYTKZJVVLQFZ-KBPBESRZSA-N 350.430 1.517 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544835 SOZNLVFXKGGZDJ-INIZCTEOSA-N 351.447 1.890 0 40 FDAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2nccs2)C(=O)C1 1565523735 ZIIYPYOIGRVQLF-UHFFFAOYSA-N 353.407 1.818 0 40 FDAB Cc1nc(CN2CCN(C(=O)C3CC(O)C3)Cc3cccnc32)cs1 1565547405 PHIAKKHPEHDWHL-UHFFFAOYSA-N 358.467 1.966 0 40 FDAB CCOc1ccc(Nc2nc(NCCO)nc(N3CCOCC3)n2)cc1 4543524 SCBNNZXQNFDFJZ-UHFFFAOYSA-N 360.418 1.255 0 40 FDAB Cc1cc(CN2C[C@@H](C(=O)NCC(F)(F)F)C3(CCOCC3)C2)n[nH]1 2055750664 OPAKHJUTDMRENY-ZDUSSCGKSA-N 360.380 1.625 0 40 FDAB CC(C)NC(=O)C1=NO[C@]2(COCC[C@H]2NC(=O)[C@H]2CC[C@H](C)CC2)C1 2055793352 SAPKNIQKXVREAN-UMHPPVOVSA-N 365.474 1.758 0 40 FDAB CCCN(CCC)C(=O)c1ncn2c1CC[C@H](C(=O)NCCOC)C2 2055716002 QIHXPCYQLFIITE-AWEZNQCLSA-N 350.463 1.470 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCCN([C@@H]2CCOC2)CC1 271249086 DLYFNEVFNCSSGJ-LLVKDONJSA-N 350.893 1.887 0 40 FDAB O=C(Cn1cncn1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294301 GSRMCYNIIHSHJQ-SCTDSRPQSA-N 357.433 1.944 0 40 FDAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 100033379 LEGUQVJAPNEYJO-SJORKVTESA-N 363.377 1.927 0 40 FDAB Cc1nc2nc(-c3cccs3)nn2c(O)c1[C@H]1CCS(=O)(=O)C1 40154895 YQJVYNDKDPIQBL-VIFPVBQESA-N 350.425 1.769 0 40 FDAB CCOC(=O)N1[C@@H]2C=C(C)[C@H](ON2C(=O)c2ccccc2)[C@H]2[C@@H](C)C(=O)N21 101039829 IGNFLHPTHATALL-BVUBDWEXSA-N 371.393 1.949 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 20591691 QZQADYMMZPFRPE-KRWDZBQOSA-N 372.469 1.201 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1 20763228 OEFMJQSWMBONMK-QGZVFWFLSA-N 374.397 1.257 0 40 FDAB biogenic CN1C(=O)C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccc1 20735232 QVWLAADHGDLHTR-NVXWUHKLSA-N 373.434 1.492 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1-n1cnnn1 60389015 ADMLOGYKKNPNBG-UHFFFAOYSA-N 350.382 1.648 0 40 FDAB COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 32795762 LJUSTJHJPVRDMJ-VIFPVBQESA-N 355.188 1.091 0 40 FDAB CCOc1nc(NCCO)nc(N2CCN(c3ccc(F)cc3)CC2)n1 4931708 CMINFFRHFASWAF-UHFFFAOYSA-N 362.409 1.140 0 40 FDAB O=C(O)[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Br)cc1 6554027 WOZCYMYXVVDKSL-LLVKDONJSA-N 374.216 1.146 0 40 FDAB C[C@H]1C[C@H](OC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(=O)O1 8328211 TVAITNYHYTVWEX-KWQFWETISA-N 361.803 1.451 0 40 FDAB O=C(CN1CCN(c2cnccn2)CC1)Nc1nnc(-c2ccccc2)o1 32804031 QBYVYVSARAPDMK-UHFFFAOYSA-N 365.397 1.287 0 40 FDAB CCS(=O)(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C 10119392 AMECMHUCSCXRKV-CYBMUJFWSA-N 372.512 1.962 0 40 FDAB Cn1cccc1C(=O)N[C@H]1C[C@H]2C(=O)Nc3cc(Cl)ccc3C(=O)N2C1 8297902 GRXRBPPFDJHZDM-NHYWBVRUSA-N 372.812 1.644 0 40 FDAB biogenic,in-vitro COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476125 UZTQNNDKWDGKJI-UHFFFAOYSA-N 356.444 1.246 0 40 FDAB CCC[C@@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 46800064 PHUVWPWCTQLYLI-CQSZACIVSA-N 363.457 1.100 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 9926463 UKLYVOIIAQLVIY-AWEZNQCLSA-N 364.365 1.871 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCN(CCc2ccccc2)CC1 24031987 BYROPZFPXVCILE-UHFFFAOYSA-N 365.477 1.732 0 40 FDAB COC(=O)CC1CCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)CC1 61722080 VLNIHKRETGNMJG-LBPRGKRZSA-N 358.398 1.154 0 40 FDAB CCc1nn2c(O)cc([C@H]3CCN(C(=O)c4ccnn4C)C3)nc2c1C 100147055 KSKNJNSRTUTSLZ-LBPRGKRZSA-N 354.414 1.669 0 40 FDAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1F 25451232 VOUKRUUJYIDWRZ-LLVKDONJSA-N 358.435 1.683 0 40 FDAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)o1 25739212 NWGDIHNQJIAGLS-HSRYQADGSA-N 367.471 1.367 0 40 FDAB C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(F)cc1 35286942 LMUXEBDMKQPHPU-WMLDXEAASA-N 363.433 1.326 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCCNC(=O)C3CC3)C2)nc1 57202258 OVGNENRZVPAIMD-MRXNPFEDSA-N 372.469 1.874 0 40 FDAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 7385671 VRQPHRSXGOCYCW-UHFFFAOYSA-N 350.400 1.560 0 40 FDAB CCOC(=O)CCCN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 58159286 BTIHQPASWHTBKI-UHFFFAOYSA-N 368.499 1.953 0 40 FDAB COc1ccccc1N1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 12632365 VVQRUZQWXIOJRE-HOTGVXAUSA-N 355.438 1.726 0 40 FDAB CCN1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O 58341687 KEAHRMWWYNWDHR-NVXWUHKLSA-N 363.433 1.184 0 40 FDAB CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)N[C@@H]2CCSC2=O)C1 78971165 LXDHMKFQXLRSCU-MELADBBJSA-N 355.504 1.152 0 40 FDAB Cc1ccc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)c1 45139061 WBLHGGHQMNRYNI-UHFFFAOYSA-N 359.470 1.495 0 40 FDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc3nccnc13)CC(=O)N2 36360375 DMPHYWXVERPBDF-LBPRGKRZSA-N 373.376 1.681 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 28871602 AIRFCHJAWKVTAN-CHWSQXEVSA-N 361.398 1.125 0 40 FDAB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 12820595 CEWJTDRMQNKBQF-OAHLLOKOSA-N 368.455 1.541 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 12980562 XMCLTBGXZWGYCC-UHFFFAOYSA-N 364.405 1.620 0 40 FDAB CCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 13061914 VSYJCJUJDIAVQB-CYBMUJFWSA-N 359.517 1.359 0 40 FDAB O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCC(O)CC2)c1 13248437 DTWHYUSBGDTJRR-UHFFFAOYSA-N 364.217 1.293 0 40 FDAB COc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)c1 49551408 MQRJVZMNXKMLTN-UHFFFAOYSA-N 369.425 1.561 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)C1CCN(S(C)(=O)=O)CC1)OCO2 39539603 GFUNKOLHNDDKAZ-UHFFFAOYSA-N 368.411 1.228 0 40 FDAB CNc1snc(C)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F 16553588 YZIVKTYKFINBMT-UHFFFAOYSA-N 354.310 1.038 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Br 8120838 VGUSDJMXADXBIU-VIFPVBQESA-N 371.235 1.164 0 40 FDAB O=C(COC(=O)CN1CCSC1=O)NC(=O)Nc1ccccc1F 5323585 FPPBKFPPVAQYOF-UHFFFAOYSA-N 355.347 1.186 0 40 FDAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 69131633 GPVUZLTYLNLNIQ-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Br)s1 14140554 JRDWDPKMGVDZME-UHFFFAOYSA-N 357.281 1.976 0 40 FDAB COc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)c(OC)c1 16735352 IGIFRSQEYIIAIT-ZSOIEALJSA-N 355.375 1.976 0 40 FDAB NC(=O)c1ccc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 16766407 XFWUYKHXTVABCZ-GJZGRUSLSA-N 358.394 1.394 0 40 FDAB CC(C)CCN1CCO[C@@H](Cn2nnc3c(NCC4CC4)ncnc32)C1 306144024 YTRRUKHMJNORIN-OAHLLOKOSA-N 359.478 1.790 0 40 FDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc2C1 6600644 GSSLOSPSJDREJB-ZDUSSCGKSA-N 359.451 1.719 0 40 FDAB CC(C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 17300406 GGEWXBXOZKGWKV-MRXNPFEDSA-N 370.471 1.675 0 40 FDAB C[C@H](Sc1nc2cc(S(N)(=O)=O)ccc2n1C)C(=O)N1CCCC1 8720005 OILWHLGMSWZREV-JTQLQIEISA-N 368.484 1.324 0 40 FDAB CCCCNC(=O)NC(=O)CSc1nc2ccsc2c(=O)n1C 8937339 IIKYLMWBLLIIGR-UHFFFAOYSA-N 354.457 1.713 0 40 FDAB O=C(C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O)Nc1ccccc1 71283046 LQZYNZHIWYJBQC-MRXNPFEDSA-N 368.437 1.933 0 40 FDAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 9238774 MYHYPKWOFJYHSL-HRCADAONSA-N 373.482 1.949 0 40 FDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1nnc2ccccn12 9217518 LSNQKTYHMXFPTR-OAHLLOKOSA-N 357.439 1.862 0 40 FDAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC(n3ccnc3)CC2)C1 96000108 UGUHKUXCLPNQRE-UHFFFAOYSA-N 374.466 1.374 0 40 FDAB NC(=O)C1(CNC(=O)c2cccnc2SC(F)(F)F)CCOCC1 84358174 VGHSWQNZOYBXHW-UHFFFAOYSA-N 363.361 1.705 0 40 FDAB CC(=O)N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1 79107870 TTYMPEGZHZYLSX-AWEZNQCLSA-N 367.471 1.114 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 84697568 PQNCLOIUYMRWCF-LLVKDONJSA-N 353.423 1.677 0 40 FDAB CC(C)C1CCC(N2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)CC1 84620994 KRJBVWMLDVRGDV-UHFFFAOYSA-N 363.502 1.885 0 40 FDAB CCOC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc21 408596547 ZYRRALQFSPGDFH-NTUHNPAUSA-N 371.349 1.182 0 40 FDAB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc3c(c1)CCO3)CCO2 306137783 RGIMTTFJUAPNAX-FPOVZHCZSA-N 374.481 1.898 0 40 FDAB CN(Cc1ccccn1)C(=O)C[C@H]1CN(c2ncccn2)Cc2ccnn21 306127815 GIHWHGKAPXZCOS-KRWDZBQOSA-N 363.425 1.678 0 40 FDAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 67897325 PKAIAROQVYOLSJ-CVEARBPZSA-N 360.845 1.685 0 40 FDAB biogenic,in-vitro Cc1c(F)cccc1S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)O 548201843 VTTRHEOINPGYFF-LBPRGKRZSA-N 352.387 1.751 0 40 FDAB Nc1[nH]c(=O)c(I)cc1I 71255673 KXRRMNXQTKVPSM-UHFFFAOYSA-N 361.908 1.166 0 40 FDAB O=C(CSc1ccc(-n2cccn2)nn1)NCc1ccc2c(c1)OCO2 70635180 QJWAHLUPKHSNLF-UHFFFAOYSA-N 369.406 1.800 0 40 FDAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1ccc(=O)[nH]c1=O 32904873 SOPKBBHMVHCTOO-UHFFFAOYSA-N 371.315 1.983 0 40 FDAB COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340210 IMDZHVSIBMYYHW-ZRGWGRIASA-N 363.385 1.854 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCc1ccccc1)O2 38832968 UXSHJFQOVBTIAN-GOSISDBHSA-N 374.462 1.881 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)cc1 72241376 GFLNBZKLIGUOBE-IAGOWNOFSA-N 359.813 1.950 0 40 FDAB O=C(CS(=O)(=O)C1CC1)N1CCOC[C@H]1c1nc2ccccc2s1 560318236 FADWPSJIIRKXEI-ZDUSSCGKSA-N 366.464 1.773 0 40 FDAB Cc1csc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)n1 48237194 CZEGYCLWEAWOFP-UHFFFAOYSA-N 363.443 1.251 0 40 FDAB COC(=O)c1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 42390003 KYRHZIQNMFOMSG-UHFFFAOYSA-N 353.330 1.926 0 40 FDAB Cc1cccc(C)c1NC(=S)c1c(N)nc(N2CCOCC2)[nH]c1=O 40385524 OZGAMLGVUJRHKT-UHFFFAOYSA-N 359.455 1.593 0 40 FDAB O=C(NCCCN1CCCC1)c1cccc(N2CCCCS2(=O)=O)c1 224388726 YJCPJXVZPLKBDG-UHFFFAOYSA-N 365.499 1.832 0 40 FDAB CNS(=O)(=O)CCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 571529055 HWQWJDVHTQRXRQ-HNNXBMFYSA-N 367.471 1.099 0 40 FDAB Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 96039539 JJFCUUMONJERDM-WMZOPIPTSA-N 351.447 1.573 0 40 FDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3nccs3)CC[C@@H]21)c1cnccn1 96056222 IBAVODDRLJLOOC-KCQAQPDRSA-N 359.455 1.200 0 40 FDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(S(=O)(=O)C1CC1)CC2 96260425 CANPEZNRVZNNEK-UHFFFAOYSA-N 366.487 1.154 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3nccc(C)n3)C2)cn1 96111013 ILAVPMRYBJMDKE-APWZRJJASA-N 354.410 1.656 0 40 FDAB COc1ccc(CN2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)cc1 247977621 IWMIJAASRUPBLJ-QGZVFWFLSA-N 362.470 1.781 0 40 FDAB Cc1cc(F)ccc1CC(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257330695 XPNGBLFRNUXKLZ-LJQANCHMSA-N 358.417 1.614 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)NC[C@@]3(C)CCCO3)nc(C)n2)CC1 257324877 WQOKJLYLYIANSS-HXUWFJFHSA-N 374.485 1.984 0 40 FDAB CCCCN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)OC(C)C)CC1 585083038 VOCLBHZIDPTSHJ-MRXNPFEDSA-N 355.479 1.613 0 40 FDAB O=C(OCc1ccccc1)N1CCN2C[C@H](Cc3cncnc3)OC[C@@H]2C1 257218880 DESAEZBDFNLDOI-OALUTQOASA-N 368.437 1.741 0 40 FDAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257208048 BKLBKCUBMOJERH-CYBMUJFWSA-N 364.475 1.171 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 257273640 NHNMPRYDMQCXEL-AWEZNQCLSA-N 352.398 1.530 0 40 FDAB O=C(O)c1csc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 262753414 KROSJUXCKHUXQX-LLVKDONJSA-N 366.443 1.385 0 40 FDAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 287717240 YIIMWOGQVRBJKO-KBPBESRZSA-N 357.432 1.108 0 40 FDAB Cc1c(NC(=O)[C@]2(C)CCN(C)C2=O)cccc1N1C(=O)N[C@H](C)C1=O 635932699 AAHXQJHMVBBARN-ZMZPIMSZSA-N 358.398 1.247 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1Cc1nc2ccc(Cl)cc2n1C 643765412 SQJCVYKPFHYNMS-KRWDZBQOSA-N 350.850 1.954 0 40 FDAB O=C(O)CN1CCCC[C@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O 643876586 YRBAPHNHTGPRDW-WBVHZDCISA-N 374.485 1.865 0 40 FDAB Cc1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc(C)c1F 647928337 JPYVMPCTJCFOEV-AWEZNQCLSA-N 352.387 1.812 0 40 FDAB O=C(NC[C@H](O)CO)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cn1 649442873 ACZHRUBJKAUSCN-NSHDSACASA-N 352.293 1.153 0 40 FDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCC[C@H](OC2CCC2)C1 654513402 AAMJRUMHIZCRSF-INIZCTEOSA-N 358.504 1.944 0 40 FDAB C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 681314125 OGWNDHZVYMJXPI-ZLSAFIHNSA-N 370.371 1.983 0 40 FDAB CC(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)N1CCOCC1 635173818 DMJSQLXGMWAVTH-CYBMUJFWSA-N 361.364 1.893 0 40 FDAB CN1c2ccccc2N(C2CCN(C(=O)c3ccccn3)CC2)S1(=O)=O 390829817 GUZIXQBQBFTJIV-UHFFFAOYSA-N 372.450 1.887 0 40 FDAB Cn1cc(-c2noc(CNC(=O)CCc3nc4ccccc4[nH]3)n2)cn1 390831667 UANGUMUEOQAIIS-UHFFFAOYSA-N 351.370 1.595 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575402637 AAKLDUQTGLRWNL-HNNXBMFYSA-N 362.455 1.223 0 40 FDAB CN(C)C(=O)CCC(=O)N1CCC[C@@]12CCCN(c1cnccn1)CC2 585100091 FMXURTYHIJIUMG-LJQANCHMSA-N 359.474 1.697 0 40 FDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2COc2ncccn2)no1 585094594 DGZVCQVDWZNHLM-LBPRGKRZSA-N 354.370 1.153 0 40 FDAB Cc1nc(Nc2nncs2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585291251 ALHNVQRQQXLXAE-IHVVCDCBSA-N 373.486 1.814 0 40 FDAB O=C(CN1CCO[C@](CO)(Cc2ccccc2F)C1)Nc1ccccn1 585278030 PCCCSTODEMKYNE-LJQANCHMSA-N 359.401 1.465 0 40 FDAB CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(N)=O)s1 585113926 ZAVZQUGXDSYOST-LBPRGKRZSA-N 351.472 1.562 0 40 FDAB CO[C@@H]1COC[C@@H](CNC(=O)c2conc2-c2ccc(F)cc2)[C@@H]1O 585283834 FEXPUZPPQBGCCZ-XFJVYGCCSA-N 350.346 1.233 0 40 FDAB Nc1ccc(C(=O)NC[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cn1 585284403 IBYNHWHKBHEMCZ-XHBKTUGNSA-N 359.401 2.141 0 40 FDAB COc1cccc([C@H]2CO[C@]3(C2)CN(C(=O)Cn2cccn2)C[C@H]3O)c1 585288322 VFFJBXBBVZFGNW-SZVBFZGTSA-N 357.410 1.038 0 40 FDAB Cc1c(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)cnn1C 585098401 XMRZNBIHVOIFHI-KRWDZBQOSA-N 353.430 1.569 0 40 FDAB CC(C)N(C[C@H]1CCCN(CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C 52833516 WHFWXACGQVBVPW-ZDUSSCGKSA-N 356.467 1.539 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1cccc(Cl)c1 49092277 YIXMSJPGMDKMTD-MRXNPFEDSA-N 365.861 1.279 0 40 FDAB COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1OC 5389191 FVDHBXQOSUJIFW-AMVTXUCVSA-N 359.378 1.113 0 40 FDAB COc1ccccc1CC(=O)NCCn1nc(-c2ccco2)ccc1=O 12158028 ANLONQSHUACWHQ-UHFFFAOYSA-N 353.378 1.871 0 40 FDAB Cc1nc2cc([C@H]3CCCN3C(=O)CCCn3cncn3)nn2c(O)c1C 12337004 YSQHWMRKKFAREG-OAHLLOKOSA-N 369.429 1.787 0 40 FDAB Cc1nc2cc(N[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2o1 12606452 KGIKJUPEWFGBLF-GWCFXTLKSA-N 351.428 1.582 0 40 FDAB COC(=O)CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 12927347 RTEGVYMFFAWUTC-UHFFFAOYSA-N 354.362 1.505 0 40 FDAB O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 17072688 KZTOSAGJSYOPQE-NOOOWODRSA-N 350.396 1.457 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 102674194 CAAFKAGWYKKKAT-OKILXGFUSA-N 372.425 1.579 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)Cc1cc[nH]n1 511612501 NZROFQBSDHDBQR-QGZVFWFLSA-N 369.425 1.223 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 28255146 PEQKNLAIIYWWOC-UHFFFAOYSA-N 363.395 1.741 0 40 FDAB COC1(CC(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)CCC1 1565554979 MPCSMZDXQUJQAN-IBGZPJMESA-N 372.469 1.290 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565552402 RWVMRZKGZXJCGO-HIFRSBDPSA-N 372.860 1.725 0 40 FDAB COc1cnc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)nc1 1565549609 VMOMKHXPZSTSNE-MGPQQGTHSA-N 359.386 1.211 0 40 FDAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC[C@H]1CCCO1 4328732 QZTNEDNBPRQKIQ-SECBINFHSA-N 368.440 1.771 0 40 FDAB COc1ccccc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 4338842 OSGADTFDBDZMCL-UHFFFAOYSA-N 363.424 1.594 0 40 FDAB CCOc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 13700302 YBUVFUCSYFRIJY-UHFFFAOYSA-N 367.413 1.877 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2C)C1 2055772672 NOPJVUODIOETKO-KRWDZBQOSA-N 362.455 1.118 0 40 FDAB COc1ccc(CCNc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1OC 22767824 AVMBVDQDBLHEEY-UHFFFAOYSA-N 370.409 1.304 0 40 FDAB O=C([C@@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCC(F)(F)CC1 2086884739 QYMCTCBUMCELCY-NSHDSACASA-N 358.414 1.878 0 40 FDAB Cc1cn2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c(=O)[nH]1 206635048 MOJQJFYVHCHMPN-UHFFFAOYSA-N 365.437 1.725 0 40 FDAB CCOc1ccc(-c2noc(CNC(=O)c3cnn4cccnc34)n2)cn1 225815662 QAVQJKQBNKRJHP-UHFFFAOYSA-N 365.353 1.503 0 40 FDAB Cn1c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(=O)c2ccccc21 5982191 FRKCUFNMBKBJTC-UHFFFAOYSA-N 373.390 1.144 0 40 FDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)NCc3ccco3)co2)CC1 40283854 APXLPMCUEHTYGX-UHFFFAOYSA-N 360.366 1.093 0 40 FDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(-c3cccc(F)c3)c2=O)c2ccccc21 101368688 GNENFIUUSVMSTJ-AWEZNQCLSA-N 354.293 1.630 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F 968812 MTFGXXOIFDMLDH-NRUUGDAUSA-N 350.268 1.610 0 40 FDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)CC1 32771464 ISQGRCQMVZRLJT-UHFFFAOYSA-N 352.503 1.149 0 40 FDAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1Cl 4341873 PUVTUDVHFNQZGQ-UHFFFAOYSA-N 372.816 1.561 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)Cc2cccc(C(F)(F)F)c2)CC1 32770973 RTSORXKACZCRPM-UHFFFAOYSA-N 364.389 1.788 0 40 FDAB CN1CCN(C(=O)CSc2nnc(N3CCCC3)n2C2CC2)CC1 32885616 BABBONWETXBLJL-UHFFFAOYSA-N 350.492 1.079 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100462178 DNSNXLOPBIXZMA-YGTYGHESSA-N 360.410 1.282 0 40 FDAB C[C@]1(C(=O)N2CCN(c3nccs3)CC2)Cc2ccccc2C(=O)O1 32904495 UIVDWSQDRKKDPI-GOSISDBHSA-N 357.435 1.964 0 40 FDAB CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 32901559 HPEAMDWDJWYYQF-UHFFFAOYSA-N 370.427 1.418 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C1 41903654 BPWHHNHOLIWBNJ-MLGOLLRUSA-N 360.476 1.327 0 40 FDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)COC 22624892 GUNXWXOZZZDJBV-OCCSQVGLSA-N 367.471 1.435 0 40 FDAB CNC(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12391497 IPKCOTIBOPDBEY-UHFFFAOYSA-N 354.439 1.805 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)c1C 7737533 IQDSPSSTNVYNFS-KDOFPFPSSA-N 364.467 1.350 0 40 FDAB O=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 55318022 QIWAHESHJVHCMB-QWRGUYRKSA-N 358.847 1.538 0 40 FDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Br)s1 7702742 SVOZKRYYAFEWJZ-UHFFFAOYSA-N 353.263 1.410 0 40 FDAB COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCN(C)C)C2=O)c1 54360942 PIIZWJNQWBTUQM-UVTDQMKNSA-N 363.439 1.409 0 40 FDAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(F)c1 102242178 QWEVYJHVJUFYSC-AWEZNQCLSA-N 352.337 1.436 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35485412 LJLIHYGJICFFQT-ZCQATVAHSA-N 355.438 1.844 0 40 FDAB CC(=O)c1ccc(N2CCN(Cn3nnn(C)c3=S)CC2)c(F)c1 12533066 VMVFTLBTTXKTSQ-UHFFFAOYSA-N 350.423 1.467 0 40 FDAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cc(C(N)=O)n[nH]2)cs1 84044118 SZQAVUVMKYOQCG-UHFFFAOYSA-N 374.382 1.300 0 40 FDAB CC[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CCO1 58192253 LDNBTGZXIKHGBU-XIKOKIGWSA-N 363.389 1.230 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 22288877 PQJKXNINORRJME-UHFFFAOYSA-N 368.890 1.888 0 40 FDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc3nccnc13)CC(=O)N2 36360374 DMPHYWXVERPBDF-GFCCVEGCSA-N 373.376 1.681 0 40 FDAB Cc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)s1 306143659 YIFPJLJCLKUFFD-QWHCGFSZSA-N 357.483 1.845 0 40 FDAB COc1ccc(-c2nnc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)o2)cc1 12872087 OFFATTABTOBFHA-UHFFFAOYSA-N 370.365 1.979 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOC(C)C)cc1C 408559417 LYZZBGHEZIKBEX-AWEZNQCLSA-N 372.487 1.602 0 40 FDAB NC(=O)CSc1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12932304 AWANKPXJRFVOQD-UHFFFAOYSA-N 357.391 1.847 0 40 FDAB O=C(NC1CCN(Cn2nc3ccccn3c2=O)CC1)c1ccccc1 13000090 YPGDNMAAZFPBAS-UHFFFAOYSA-N 351.410 1.348 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2nc(C3CC3)ns2)CC1 301425695 HBTUNQGJGZQGDS-UHFFFAOYSA-N 350.469 1.926 0 40 FDAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C 13465055 KLTAIBJTUGTKRH-UHFFFAOYSA-N 371.441 1.239 0 40 FDAB biogenic CCOCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc2c(c1)OCO2 4066301 HPUPKCJDDADXHE-OAHLLOKOSA-N 364.423 1.788 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C)CC1 49710538 XEYNXWWBLGBZIP-LLVKDONJSA-N 366.487 1.975 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4469097 AFZRCGHNVMFYIA-SSDOTTSWSA-N 366.468 1.800 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 6596595 RBYDJAIXTZEEOP-CYBMUJFWSA-N 356.469 1.383 0 40 FDAB 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367.515 1.930 0 40 FDAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3ccco3)n2)cc1 20744528 XLTCNVSBNSFHEB-UHFFFAOYSA-N 356.338 1.199 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 8007501 HXYFHAYCOKNUMU-UHFFFAOYSA-N 365.389 1.706 0 40 FDAB COc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c(OC)c1 817110 DRFLTNFSLDPQMC-UHFFFAOYSA-N 356.444 1.482 0 40 FDAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 8135151 JDCKJGHQURMEJH-QGZVFWFLSA-N 372.400 1.475 0 40 FDAB CC(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 1378075 MOONESHRTWQWSH-OAHLLOKOSA-N 358.394 1.827 0 40 FDAB O=S(=O)(N1CCCC1)N1CCN(Cc2nc3ccccc3o2)CC1 32777728 KUCNXRJANOTTKZ-UHFFFAOYSA-N 350.444 1.286 0 40 FDAB CCc1cccc(O[C@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 4559900 GSDLPPZTQOCNCB-ATIWLJMLSA-N 365.426 1.370 0 40 FDAB CCOCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 4898833 NEROMIIAELFQAF-UHFFFAOYSA-N 373.388 1.264 0 40 FDAB Cc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 4984858 XXZROLPVCJYPSC-UHFFFAOYSA-N 351.366 1.817 0 40 FDAB 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Cc1cc(NC(=O)CCn2ccc(C(=O)Nc3cc(C)n(C)n3)n2)nn1C 20617385 NTMXTVWFQBAQFY-UHFFFAOYSA-N 370.417 1.248 0 40 FDAB Cc1cccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC(C)C)c1 4496025 QXOVZPDQCXXZSS-CQSZACIVSA-N 367.405 1.869 0 40 FDAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1C 408620682 QLGQCRFZOFDUHT-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)NC2CC2)c1 14266986 SLBGGMBDSMPQFZ-UHFFFAOYSA-N 372.406 1.549 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(OC)ccc3O)cnc21 6941457 XRULTQPPXNLJAL-UHFFFAOYSA-N 369.377 1.830 0 40 FDAB C[C@]1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 7304252 IOGULLZAZCNIOD-NSHDSACASA-N 357.375 1.561 0 40 FDAB C/C(Cl)=C/Cn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425701 JRMIUCDXIKGSRH-OYUORYAFSA-N 351.838 1.802 0 40 FDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1c[nH]c2cccc(F)c12 90419681 FGTGHXDTFLLVOM-CXAGYDPISA-N 361.417 1.774 0 40 FDAB Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(C)c1S(=O)(=O)NC(C)(C)C 7813836 QMWGDCFVYZSMMJ-LBPRGKRZSA-N 370.519 1.978 0 40 FDAB COc1ccccc1NC(=O)CSCC(=O)N1CCC(C(N)=O)CC1 9184245 BDYFTWRDPXUSPN-UHFFFAOYSA-N 365.455 1.091 0 40 FDAB C[C@@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000084 KKVWXCFGNNIUGU-AWEZNQCLSA-N 359.451 1.929 0 40 FDAB CCS(=O)(=O)Nc1ccc(C(=O)N(C)CCOc2ccccc2)cn1 72284192 QKEIJHIXWBLZPH-UHFFFAOYSA-N 363.439 1.994 0 40 FDAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C1CC(O)C1 95940288 DAEMIYNRUGCXOO-WLYUNCDWSA-N 352.456 1.069 0 40 FDAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O 89753972 RTAXGHPNDCUDKI-GZMMTYOYSA-N 355.188 1.138 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)CC(C)C)C3)n1 306138020 RMZNLGYUZVYCPK-AWEZNQCLSA-N 367.471 1.226 0 40 FDAB CC(C)CNCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 72352103 TYOCJXWWSYUEOV-UHFFFAOYSA-N 361.490 1.337 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnc3cnccn23)C1 548673550 IHMCWWINJXWWOK-KRWDZBQOSA-N 356.455 1.732 0 40 FDAB NS(=O)(=O)c1cccc2c1OC[C@H](NC(=O)OCc1ccccc1)C2 536954517 VJOSHMHQWJDSQJ-CQSZACIVSA-N 362.407 1.564 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)C1 556269079 ZBXPOPVNGGKLQH-GFCCVEGCSA-N 365.455 1.595 0 40 FDAB CN(CCCNC(=O)c1c2c(nc3ccccc13)CCC2)S(C)(=O)=O 41949434 RAPMZKJCQGULDE-UHFFFAOYSA-N 361.467 1.735 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC 218356856 LJHKWHVPSLWWPI-KGLIPLIRSA-N 372.414 1.839 0 40 FDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)CC2 225789370 FNKIVTLYTVGCCU-GFCCVEGCSA-N 367.327 1.966 0 40 FDAB CC(C)NC(=O)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225468439 TXLOVHCNQYONHJ-UHFFFAOYSA-N 368.503 1.377 0 40 FDAB biogenic,in-vitro Cn1nc2cc(Br)ccc2c1C(=O)N1CC(n2ccnn2)C1 225692261 BAMTUGPUJIFZPH-UHFFFAOYSA-N 361.203 1.624 0 40 FDAB Cc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 223301498 DMQQKWNMCUVBBZ-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCOCC4)cn23)CC1 96155971 BBBMTODOTVQPRL-UHFFFAOYSA-N 356.426 1.080 0 40 FDAB CN1CCN(C[C@H]2CC[C@@]3(COCCN(Cc4ccccc4)C3)O2)CC1 96160307 FPIFWDXHACCGHB-NHCUHLMSSA-N 359.514 1.684 0 40 FDAB CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H]2COc3ccccc3O2)C1 333047055 FZXXAZVGJPUKTL-KGLIPLIRSA-N 368.455 1.099 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)C1CCOCC1 96044468 BHBPPHYBWCHZPY-KRWDZBQOSA-N 356.426 1.483 0 40 FDAB COc1ncccc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1ccno1 247830202 HGMDNKRBVRHJMQ-OAHLLOKOSA-N 372.425 1.489 0 40 FDAB Cn1cccc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248130621 NDMVBWFNXQKJCK-CQSZACIVSA-N 352.456 1.081 0 40 FDAB O=C(c1cnccn1)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1 247885287 WVWLHVRNVMHWNT-MRXNPFEDSA-N 357.414 1.313 0 40 FDAB CN(C(=O)c1ccc(OCCCN)cc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257201427 AHRAGSBSJYMBBC-GUDVDZBRSA-N 361.486 1.474 0 40 FDAB CNCC(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257295047 QWRSJTMEQNWIOU-CMKODMSKSA-N 361.486 1.042 0 40 FDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2ccc(OCCN)cc2)C1 257225143 FFAQETPXLACNIW-PKOBYXMFSA-N 359.470 1.887 0 40 FDAB Cc1c[nH]c(-c2cc(CC3CCN(S(=O)(=O)N(C)C)CC3)ncn2)n1 257255594 KICXVPAIPRUHMJ-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)C 257340753 ZHJVOWGHCOZDMX-KRWDZBQOSA-N 360.433 1.598 0 40 FDAB Cc1c(CCC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)cnn1C 257246636 IVASCCWQJQYZQJ-LJQANCHMSA-N 357.458 1.204 0 40 FDAB C[C@@]1(c2ccccc2)CC(=O)N(Cc2nnnn2CC2CCOCC2)C1=O 277376442 ASQWLOAPNJRKOF-IBGZPJMESA-N 369.425 1.317 0 40 FDAB C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C[C@H]1C(=O)O 659064594 OFNXWWLUSKFQLB-QMTHXVAHSA-N 357.366 1.036 0 40 FDAB CN(C)N(C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575421831 RWHMIEMNYPPZIM-QZTJIDSGSA-N 360.479 1.713 0 40 FDAB Cc1cncc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)c1 575403937 LIJBWYHFPLFDSR-SQWLQELKSA-N 372.450 1.364 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@@H](COc2cccnc2)C1 575404283 LEJGAMYQPYHXAD-OAHLLOKOSA-N 371.422 1.498 0 40 FDAB O=C(CCn1ccccc1=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585275431 DUZPBUBMDGLCPL-ROUUACIJSA-N 358.413 1.972 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093217 JUMYAYBZENZWGS-HNNXBMFYSA-N 358.410 1.873 0 40 FDAB NC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 49734776 CUMBTXXQBKHVHX-CYBMUJFWSA-N 355.438 1.856 0 40 FDAB CNC(=O)[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)c1ccccc1 65103423 PETCYYJPEWHKTK-ZDUSSCGKSA-N 356.407 1.598 0 40 FDAB CN(CC(=O)NCC1CCC1)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 505512960 LTFUZGAIEKNKBI-HOTGVXAUSA-N 351.470 1.181 0 40 FDAB CCOc1cncc(CN2CCS(=O)(=O)C[C@H]2c2cnn(CC)c2)c1 598672209 MZXAUKYLUCEERC-KRWDZBQOSA-N 364.471 1.668 0 40 FDAB C/C=C/C=C/C(=O)OCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC 5109496 XMOFMMPFUDTKKB-OXSFDCBASA-N 360.414 1.882 0 40 FDAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H]1N[C@H](C(=O)O)C(C)(C)S1 5540086 HQEJTFRMUYHJJT-SCRDCRAPSA-N 366.439 1.242 0 40 FDAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1ccc3c(c1)OCO3)CS2 14032056 VUUDYOPMEFQJPS-GFCCVEGCSA-N 359.407 1.634 0 40 FDAB C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccs1 14076989 PEBPDRWAUUVIDB-QWRGUYRKSA-N 369.468 1.091 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1ccccn1 16187985 GWIBXDJNPMFXSU-UHFFFAOYSA-N 367.402 1.166 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2ccnc(N3CCOCC3)n2)C1 19347416 GKEMHWFCIYNKEI-CVEARBPZSA-N 367.453 1.094 0 40 FDAB CN1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccccc3)C2)CC1 19589984 OPEICXDOWLXJSL-DLBZAZTESA-N 371.510 1.495 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)CCc1nc(-c2ccccc2OC)no1 19660684 KXHOZNVHBCJULA-ZDUSSCGKSA-N 358.398 1.415 0 40 FDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CCCC3)cc21 5442210 UFURHIVMJRCHLB-UHFFFAOYSA-N 365.455 1.396 0 40 FDAB COC[C@H](C)NC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[nH]2)c1C 16980999 PWMLKDAHDOCAIS-JTQLQIEISA-N 361.446 1.273 0 40 FDAB COCCn1cnc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1888909654 WULONTQHYLEBPX-UHFFFAOYSA-N 368.441 1.808 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1 36014783 HAZOVFXALYCUAT-UHFFFAOYSA-N 367.515 1.382 0 40 FDAB COc1cc(OC)c(OC)cc1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037984300 WTVMJAGUTPNWCZ-GJZGRUSLSA-N 364.442 1.392 0 40 FDAB Cn1ccc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)n1 2037984766 NERKLSSIMUAIAF-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB CN(C)CCN1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)OCC1=O 1614939072 QTKFJMVJWOZNET-IBGZPJMESA-N 363.502 1.514 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 2502420 GSBNTJCHSIXPJY-UHFFFAOYSA-N 363.424 1.108 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCCCCC1 4139829 FWHJMZNMZWPIIB-UHFFFAOYSA-N 352.398 1.380 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 12234821 MVKANJMUXBLWGX-UHFFFAOYSA-N 359.407 1.536 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3ccoc3)CC2)[nH]1 2055746382 WGMLXSLRYBAYJD-UHFFFAOYSA-N 357.458 1.504 0 40 FDAB O=C(c1cc(Br)cs1)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585386535 DBEFSQFNDQSQSP-IUCAKERBSA-N 355.213 1.340 0 40 FDAB NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(Cl)c1 9827664 OPVQMIAYKLGERP-UHFFFAOYSA-N 354.819 1.245 0 40 FDAB NC(=O)c1nn(CC(=O)N[C@H]2CCc3ccccc32)c(=O)c2ccccc12 16472235 MOKOEVAELVXBRD-INIZCTEOSA-N 362.389 1.299 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2ccc3c(NC(C)=O)cccc32)CC1 96223181 APAZHPRBIIBMOJ-UHFFFAOYSA-N 372.425 1.900 0 40 FDAB Cc1nc(-c2ccc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cs1 40073874 WSOYGAXRGJOWPP-CQSZACIVSA-N 350.465 1.964 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081265 XIXQELOGSXOJAO-DSIZOQBWSA-N 373.380 1.973 0 40 FDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1Cl 4107527 USNKQFHCKSLJFF-LLVKDONJSA-N 367.254 1.871 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@](CO)(CCO)O2 4424633 XYPPDQHBNJURHU-WVMNWVHYSA-N 356.503 1.855 0 40 FDAB Nc1ccccc1C1=NN[C@@]2(CC(c3ccccc3Cl)=NN2)C(=O)N1 32815318 OSSNCNFWQQGZQZ-KRWDZBQOSA-N 354.801 1.397 0 40 FDAB O=C(C[C@H](C(=O)O)N(CCO)Cc1ccccc1)NCc1ccccc1 10384137 RSBBOTWGKQBSSK-GOSISDBHSA-N 356.422 1.641 0 40 FDAB CN(C)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298874 CSNDFUBIEACSGJ-IPELMVKDSA-N 374.533 1.499 0 40 FDAB biogenic,in-vitro CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317693 SYRPPKBGHHVDAO-CWSCBRNRSA-N 366.336 1.775 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cc(C)on2)c1 25136564 SFRZVLKAKIRJOW-UHFFFAOYSA-N 351.428 1.862 0 40 FDAB Cc1c(N2C(=O)S[C@H](CC(=O)O)C2=O)c(=O)n(-c2ccccc2)n1C 1470530 YRCKDKJENWKOHS-LLVKDONJSA-N 361.379 1.528 0 40 FDAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 25176665 VBULNHLXWGZQDF-UHFFFAOYSA-N 366.361 1.233 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1 25438994 XSFMCYQBFCNLKQ-MRXNPFEDSA-N 372.421 1.751 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccon2)c1 57279535 PMVRBUOECHTJLR-UHFFFAOYSA-N 350.360 1.157 0 40 FDAB O=C(Cc1noc(C(=O)NCc2cccnc2)n1)Nc1ccc(F)cc1F 36354849 ZXVRIXMJBNUUQP-UHFFFAOYSA-N 373.319 1.854 0 40 FDAB NCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 2432365 VFKAKVDOOXXYBF-UHFFFAOYSA-N 370.482 1.935 0 40 FDAB Cc1ccc(C(=O)NCc2cccnc2-n2cncn2)cc1S(C)(=O)=O 48231709 RMXZDEXBBZKDJN-UHFFFAOYSA-N 371.422 1.304 0 40 FDAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)c(F)c1 12750293 KRBMIGYYAOBRPV-UHFFFAOYSA-N 363.433 1.643 0 40 FDAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC2CC2)C1=O 3610464 GRGKCUUADCEHQD-HNNXBMFYSA-N 366.215 1.495 0 40 FDAB O=C(CCCCCCC(=O)NCCN1CCCC1)NCCN1CCCC1 3901893 DEKJDTSDCUOSLH-UHFFFAOYSA-N 366.550 1.751 0 40 FDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 23199766 XZRVCVNGENMSLT-CQSZACIVSA-N 365.455 1.143 0 40 FDAB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 4164828 DFBOECOQADTESZ-UHFFFAOYSA-N 357.362 1.940 0 40 FDAB COC(=O)CNC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12 4118055 KKJAFRAUOICANA-UHFFFAOYSA-N 366.373 1.902 0 40 FDAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306140426 UTMCRZIZJJSJLP-UHFFFAOYSA-N 371.485 1.916 0 40 FDAB O=CN1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)CC1 5274308 UWGCSWOQZWAPGC-CYBMUJFWSA-N 352.394 1.373 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC 13985579 OASMYZSEXCALBZ-UHFFFAOYSA-N 374.484 1.408 0 40 FDAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)Cc3ccccc3F)CC2)on1 65532846 GYDONTFEXOEBQS-AWEZNQCLSA-N 374.416 1.836 0 40 FDAB Cc1ccccc1-n1nnnc1SCn1nnc2ccccc2c1=O 5354644 VZMRKQXICFZWPU-UHFFFAOYSA-N 351.395 1.825 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 14139847 OKPCBBPGXBXQLA-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 14334565 DSZLUBUDVRZMAC-BETUJISGSA-N 358.442 1.541 0 40 FDAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 14495048 LUSVAHVONMQOBS-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB CS[C@@]1(Cc2ccccc2)C(=O)N(C)[C@](CO)(SC)C(=O)N1C 5966030 WXIJHVRXTHDGKV-JKSUJKDBSA-N 354.497 1.270 0 40 FDAB biogenic,in-vitro COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccncc1)C=C2 96222023 OPYFBMANABPNSS-UHFFFAOYSA-N 367.405 1.771 0 40 FDAB biogenic CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)NCCCC(=O)O)cc12 22048009 KEZMLSBXUODFOL-UHFFFAOYSA-N 367.471 1.556 0 40 FDAB in-vitro CCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1 19910947 OXVWZRFAEROFAJ-UHFFFAOYSA-N 371.422 1.729 0 40 FDAB COc1ccc(CNC(=O)NC2CCN(c3ncccn3)CC2)c(OC)c1 83927873 IQLXDWHVMNXXNP-UHFFFAOYSA-N 371.441 1.962 0 40 FDAB NS(=O)(=O)[C@H]1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 84519350 ZKNXSDDAXOLJBC-HOTGVXAUSA-N 351.472 1.103 0 40 FDAB CN(C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)C1CCCCC1 97602098 PTMAASNPXCJGCJ-ZDUSSCGKSA-N 354.476 1.634 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(-n3ccnc3)nc2)c1 74392856 LDYZTTOLDZJRGU-UHFFFAOYSA-N 363.421 1.930 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CSCCS2)cc1 75108408 HOMJBYRBFVVGPV-GFCCVEGCSA-N 360.526 1.515 0 40 FDAB O=S(=O)(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccnc1 548662993 DQSZVYZHQGTBOW-YPMHNXCESA-N 350.400 1.541 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1c(-n2cnnn2)sc2c1CCC2 524734168 FARUBGQFYWWFLB-UHFFFAOYSA-N 369.406 1.871 0 40 FDAB CC(C)NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997955 MUOYFVGMEVKKIM-UHFFFAOYSA-N 352.866 1.103 0 40 FDAB C[C@@H](CNC(=O)c1nc2ncccn2n1)Cn1ccc(C(F)(F)F)n1 36618742 SHMRYEJJTLIFIH-VIFPVBQESA-N 353.308 1.406 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380568 DGXJUOVXUTYKJB-ZDUSSCGKSA-N 370.457 1.835 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CO2)C1 225388179 ZAFFMMQBQZGBNC-JKSUJKDBSA-N 355.394 1.606 0 40 FDAB COC(=O)[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)N1CCc3ccccc3C1)C2 573667102 FLWGJVPQLZKASO-XOKHGSTOSA-N 364.467 1.563 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3noc4ccccc34)C2)n1 225398808 WZKLZLUEUUKXKP-CYBMUJFWSA-N 367.409 1.906 0 40 FDAB Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)CN(CC(C)C)CCC2 96197677 FUTXLIHVQVOOIO-UHFFFAOYSA-N 359.430 1.331 0 40 FDAB Cn1nnc(-c2cccc(NC(=O)Cn3cnc4ccccc4c3=O)c2)n1 95479565 JCOBGAASXQSHDA-UHFFFAOYSA-N 361.365 1.226 0 40 FDAB CNC(=O)[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96093881 NEGMWXNYDBMZMU-INIZCTEOSA-N 350.422 1.884 0 40 FDAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)O 96528511 NCPDLLUZVKEPIJ-SECBINFHSA-N 351.327 1.786 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cc1 96238057 BDCUOIJIHYDSPN-NRFANRHFSA-N 364.449 1.953 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccnn1C 583621033 NMKZUGSUTDQQKS-KBXCAEBGSA-N 356.474 1.766 0 40 FDAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 98087211 IODGMKGUKWTXCG-UHFFFAOYSA-N 373.906 1.758 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 247847238 FBLLSGFZTOAHFL-QJPIZNMWSA-N 370.449 1.925 0 40 FDAB CN(C)Cc1cnn2c(C3CCN(C(=O)c4c[nH]cn4)CC3)ccnc12 257303336 SGUFOBLULQTEIY-UHFFFAOYSA-N 353.430 1.534 0 40 FDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257312928 UQFQLWUSEUILNX-OAHLLOKOSA-N 357.366 1.476 0 40 FDAB O=S(=O)(c1cccnc1)N1CCN(C[C@@H](O)c2cccs2)CC1 85467264 OPKJNOBMFHZFAP-CQSZACIVSA-N 353.469 1.183 0 40 FDAB Cc1nn(C)c2nccc(NC[C@@H]3CCCCN3S(=O)(=O)N(C)C)c12 643190179 SZBGXGLUISQCMD-ZDUSSCGKSA-N 366.491 1.350 0 40 FDAB OC[C@@]1(CN[C@H]2CCCn3ccnc32)COCCN1Cc1ccccc1 658288909 RYVGUJKEINKPMX-ICSRJNTNSA-N 356.470 1.571 0 40 FDAB COc1ccc([C@H](NC(=O)c2nnn(C(C)(C)C)n2)C(=O)O)cc1Cl 659158117 WGVUJDSBUFXCGN-NSHDSACASA-N 367.793 1.646 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(CC2CCS(=O)(=O)CC2)C1 1775957093 CFOXMCOLNAKHFQ-DOTOQJQBSA-N 354.472 1.375 0 40 FDAB CC(=O)NC[C@@H]1CN(c2nnc(C(F)(F)F)s2)C[C@H]1c1cncn1C 1615551275 LAZLGXGQYUHLJY-NXEZZACHSA-N 374.392 1.647 0 40 FDAB O=C(NCC[C@@H]1CC1(F)F)Nc1nc2c(s1)CS(=O)(=O)CC2 621474959 WPXXTKHVBWADDS-SSDOTTSWSA-N 351.400 1.781 0 40 FDAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)N3CCCCO3)C2)c1 585096136 UFMMLIDDTNKXTO-KRWDZBQOSA-N 354.410 1.943 0 40 FDAB O=C(CCCn1cccn1)N1CCOC[C@@](O)(COc2ccccc2)C1 585272818 RETPXQUOAJNXIV-LJQANCHMSA-N 359.426 1.332 0 40 FDAB Cc1noc(CC(=O)N2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)n1 585109160 BNHHJROEVQFHIS-ZWOKBUDYSA-N 368.437 1.550 0 40 FDAB CS(=O)(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 96366215 RZLSYWNCQVYEND-UHFFFAOYSA-N 351.877 1.679 0 40 FDAB Cc1cc(NC(=O)CN2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)no1 12087279 DCWFFIXGUUJFGU-IBGZPJMESA-N 370.409 1.579 0 40 FDAB COCCNC(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 12145247 NLPXQMKCFAIYCF-UHFFFAOYSA-N 357.414 1.104 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCc4ccccc43)ccc21 12238964 LKDWPBZHTKYJDM-UHFFFAOYSA-N 373.434 1.473 0 40 FDAB N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 14651453 JMCOUWKXLXDERB-FUHWJXTLSA-N 351.406 1.850 0 40 FDAB endogenous,in-man C[C@H](Cn1cccn1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 19457636 RXGSIOSRQRPNEL-OAHLLOKOSA-N 368.485 1.703 0 40 FDAB CC(=O)N[C@@]12CCN(Cc3cncn3Cc3ccccc3)C[C@@H]1CNC2 19712986 SDFWYVZSXNLLIT-AZUAARDMSA-N 353.470 1.231 0 40 FDAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@H](C)CN1CCOCC1 19714732 FOKVFTQKHMUKLY-OAHLLOKOSA-N 361.490 1.472 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1OC 4374578 ZWOAGAFPZZWDKU-OCCSQVGLSA-N 363.414 1.287 0 40 FDAB CCc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(SC)n1 1888890241 QDEXUUKWIQHWIX-UHFFFAOYSA-N 356.459 1.525 0 40 FDAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1cc(=O)n2ccccc2n1 1888913526 SYNPNHGFKLSMHX-UHFFFAOYSA-N 364.336 1.195 0 40 FDAB Cc1ccc(C)c2sc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc12 1889139140 HSKFEJRGTVWKEL-AWEZNQCLSA-N 361.467 1.977 0 40 FDAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cn(C)c(=O)n(C)c1=O)N3 32769284 GEYRZVJHWKJLQM-CYBMUJFWSA-N 371.422 1.165 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CCF)C2 1614941082 JQLQUSWSRYIZCM-MRXNPFEDSA-N 353.419 1.274 0 40 FDAB O=C(c1nc2c(s1)CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCCCC1 1614937707 IDIVIUJKDXFPJC-CYBMUJFWSA-N 363.483 1.733 0 40 FDAB COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)NC1CC1 4727400 FIBDAXQEPUPOLO-UHFFFAOYSA-N 358.416 1.043 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1OC 4855322 AGWBATUGDBGPEB-ZDUSSCGKSA-N 359.334 1.008 0 40 FDAB Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c1cnn2-c1ccccc1 12227980 SEGAUEQGESGERF-UHFFFAOYSA-N 363.377 1.800 0 40 FDAB COc1ccccc1CN[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055734890 WACMEOKTMBLJLE-JKSUJKDBSA-N 357.454 1.897 0 40 FDAB Cc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccccn3)C2)o1 2055772720 UKCPQBIEMJKEGP-LZLYRXPVSA-N 369.421 1.777 0 40 FDAB COC(=O)c1sc(NC(=O)COc2ccc(-n3cnnn3)cc2)nc1C 27985821 GTOBFINKTSMPEQ-UHFFFAOYSA-N 374.382 1.231 0 40 FDAB Cc1cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)nc(N2CCOCC2)n1 2298180920 LUNSSDMIFBMDLP-IAGOWNOFSA-N 361.490 1.047 0 40 FDAB CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCCc1cccnc1)C2 50099454 LRYMXJORFVGJNL-UHFFFAOYSA-N 374.466 1.764 0 40 FDAB CNC(=O)[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 40152932 RWOGKCODOCOGEE-MRXNPFEDSA-N 361.423 1.411 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1CN1CCCC1=O 40153813 PKBDRDMYQMDZAI-AWEZNQCLSA-N 369.421 1.837 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CCOc2ccccc2)c(=O)[nH]c1=O 21084233 LDBPFPSBMQMWML-UHFFFAOYSA-N 374.441 1.741 0 40 FDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2Cl)n1 2809585 HBVYMVMNUDDMMT-KPWCQOOUSA-N 358.785 1.647 0 40 FDAB CCOC(=O)C(=O)N1N=C(c2cccc(OC)c2)C[C@@]1(O)C(F)(F)F 4266048 SKLHXEFPBKZQBX-CQSZACIVSA-N 360.288 1.446 0 40 FDAB CC(=O)Oc1cc(NC(=O)C[C@H]2SC(=N)NC2=O)cc(OC(C)=O)c1 6073982 YEYUIFCZSCCZAP-GFCCVEGCSA-N 365.367 1.032 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCCCN1CCc2ccccc2C1 29840109 XIRGTIHYDJKZSB-UHFFFAOYSA-N 351.450 1.981 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)ccc1OC 10008773 VCKAQPZJQRHJND-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB C[C@@H](OC(=O)CCS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 8638887 MDEGSNIQJDMNEX-CYBMUJFWSA-N 353.440 1.841 0 40 FDAB COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3CCCN3C2=O)CC1 53244628 UEVUOKDPCMGICT-INIZCTEOSA-N 358.442 1.244 0 40 FDAB O=C(NC[C@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 54618787 XKXVSEVDWXBPQZ-FZMZJTMJSA-N 372.343 1.590 0 40 FDAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccccc4)[C@H]3C2=O)cc1 100354938 OPOZTSJIWVLSJW-PBHICJAKSA-N 350.330 1.822 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)NCCOc2ccccc2)=NN1c1ccccc1 25645929 HJTWFKZWGDAGKU-KRWDZBQOSA-N 352.394 1.302 0 40 FDAB O=c1ccc2cc(S(=O)(=O)NCCCOC[C@@H]3CCCO3)ccc2o1 25672310 OKUVOHHBVVYDJQ-AWEZNQCLSA-N 367.423 1.657 0 40 FDAB CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)O 2122925 LLHQMLKRKYAEQT-LBPRGKRZSA-N 363.366 1.641 0 40 FDAB biogenic CN(CC(=O)NCC1(c2ccc(F)cc2)CCC1)[C@@H]1CCS(=O)(=O)C1 58364606 RGZABVPJJUWFDD-MRXNPFEDSA-N 368.474 1.483 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCCN1CCCc2ccccc21 58393956 VRCDSOXTOXADHQ-HNNXBMFYSA-N 368.524 1.476 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCc1cccc(NS(C)(=O)=O)c1 11360616 PATUIDYCEGMTJF-UHFFFAOYSA-N 350.444 1.267 0 40 FDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12784140 GOVHBFSGYNJXQB-UHFFFAOYSA-N 371.397 1.440 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12761806 CKAWMKCPWQSWRV-LLVKDONJSA-N 350.378 1.224 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)CC1 48309182 IYTVDDAPQXAUGX-UHFFFAOYSA-N 373.361 1.361 0 40 FDAB O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1ccccc1 3570821 IUHCXOXBRQLSFD-SFHVURJKSA-N 365.433 1.842 0 40 FDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 3520803 XYKGDCCVEQRKLR-SNVBAGLBSA-N 368.436 1.888 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(O)c1 3554462 GRUANIKDBINPSK-NSHDSACASA-N 359.407 1.766 0 40 FDAB NC(=O)CCc1nnc(SCN2C(=O)c3ccccc3C2=O)n1C1CC1 12979573 BQNSQEPSTPLVKP-UHFFFAOYSA-N 371.422 1.377 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C1CC1)N1CCN(c2ccccc2)CC1 8503739 FGQHZFRKJCXUDR-UHFFFAOYSA-N 359.455 1.347 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)NC3(CCCC3)C1=O)OCO2 5293336 PGPVLXPEZFQMLP-UHFFFAOYSA-N 373.365 1.421 0 40 FDAB O=c1[nH]c(CSc2nnnn2-c2ccc(O)cc2)nc2ccccc12 6465580 VLVQXBNDWLBMNI-UHFFFAOYSA-N 352.379 1.897 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)noc3C)CC2)s1 14197973 DFGCADJZPUVXFM-UHFFFAOYSA-N 369.468 1.808 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2cc(OC)ccc2[nH]c1=O 4864433 QAWRAFDPZMJGII-HNNXBMFYSA-N 357.366 1.728 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Oc2ccc(C)cc2)NC(=O)NC1 18332995 BWSFASPKPWPICG-GFCCVEGCSA-N 362.382 1.436 0 40 FDAB O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)NC(N2CCOCC2)=N1 9227003 UIGGNZVENWKFFU-INIZCTEOSA-N 352.394 1.355 0 40 FDAB O=C(CN[C@@H](c1ccccc1)c1ccccn1)N[C@H]1CCS(=O)(=O)C1 96791945 KQOZAYADMGCFKJ-YJBOKZPZSA-N 359.451 1.064 0 40 FDAB CC(C)(C)NCCNC(=O)C(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1 95465242 OFPAPUPRUATZKV-UHFFFAOYSA-N 370.538 1.822 0 40 FDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 95451926 AVHHFNLGADVUSF-LBPRGKRZSA-N 360.439 1.179 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cc(Br)ncc2F)CC1 95465116 KCPFXMWEPPLHJU-UHFFFAOYSA-N 360.183 1.898 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1 89322666 MUBJHYFVNKFFBG-IBGZPJMESA-N 374.462 1.501 0 40 FDAB Cc1sc(=O)n(CCC(=O)Nc2ccc(-c3n[nH]c(=O)[nH]3)cc2)c1C 75092611 IGDOVPIBADVLIQ-UHFFFAOYSA-N 359.411 1.634 0 40 FDAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCCN2CCOCC2)CC1 408707969 UBQOTQMTTRZUDF-UHFFFAOYSA-N 353.507 1.546 0 40 FDAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(C(=O)C3CC3)C[C@@H]1C2 306134314 NISYEAXNRUVQAU-UONOGXRCSA-N 351.410 1.571 0 40 FDAB Cn1nc(C(=O)NCc2nnc3n2CCCCC3)c2ccccc2c1=O 32719674 BGCOCQPSNRKNCQ-UHFFFAOYSA-N 352.398 1.181 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)n1 306141638 WCSRLSWERYHRBQ-OAHLLOKOSA-N 363.425 1.761 0 40 FDAB O[C@H](COc1cccc(OC[C@@H](O)CN2CCCC2)c1)CN1CCCC1 4819636 SQCSTOYDADLFGE-ROUUACIJSA-N 364.486 1.358 0 40 FDAB CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(F)cc1 39985782 HRVUAJIZGFSBOG-UHFFFAOYSA-N 360.451 1.768 0 40 FDAB COc1ccc(Cn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)cc1 39404011 JRROPUZKWAXVME-UHFFFAOYSA-N 365.437 1.600 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nccn2)cc1OC 670158421 ZZUWHSKUNJGLOI-GFCCVEGCSA-N 352.416 1.149 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CCc2nnc3ccc(OC)nn23)cc1 71287519 FEADPNNIZHBBIR-UHFFFAOYSA-N 369.381 1.881 0 40 FDAB CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 225166721 USRVVXKCUHXBMK-UHFFFAOYSA-N 370.456 1.416 0 40 FDAB C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCCCCC2)cc1 45857306 BXFKFOFKZAYQQN-CYBMUJFWSA-N 354.472 1.798 0 40 FDAB Cc1sc(NC(=O)CNC(=O)Cn2cncn2)nc1-c1ccc(F)cc1 48301818 SNVOAXXZPTZNJC-UHFFFAOYSA-N 374.401 1.604 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 96239414 TZDHUSMURFZABD-INIZCTEOSA-N 355.460 1.456 0 40 FDAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3nccs3)N=C2O)cc1 95476350 OWNFGWRXAHIYRC-LBPRGKRZSA-N 360.395 1.805 0 40 FDAB Cc1ncsc1CN1CCC2(CC1)C[C@H](OCC(=O)N(C)C)CO2 96106604 MNMRIMGHSLHCGH-AWEZNQCLSA-N 353.488 1.680 0 40 FDAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cn4c(n3)CCCC4)C2)nn1 583618917 HJABMSNUAVJQND-GOSISDBHSA-N 358.446 1.516 0 40 FDAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)C2CCOCC2)[C@@H]1O 257267631 MIDDFSHAEQZBMF-MYFFOXHASA-N 367.417 1.310 0 40 FDAB O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257345067 ZZUSERMIZVKJLL-AWEZNQCLSA-N 359.411 1.746 0 40 FDAB O=C(CC1CCOCC1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257318444 VNXYTNOKATXTPU-GOSISDBHSA-N 351.422 1.485 0 40 FDAB O=C(O)c1cccc(CC(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 262157315 NPTKZSNJEAYPCS-UHFFFAOYSA-N 369.377 1.013 0 40 FDAB C=CC(=O)N(C)CC(=O)NC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2 1120756264 RKHLHFQOGDPDIN-UHFFFAOYSA-N 351.447 1.583 0 40 FDAB CCC(CC)(C(=O)O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 653305285 HWNQVJJPMOPKPA-CQSZACIVSA-N 353.463 1.033 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@H](O)Cc2ccccc2)cnn1C 1775959629 LLPPFMZHQJLZTN-VKJFTORMSA-N 357.410 1.306 0 40 FDAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)N=c2nc3ccccn3[nH]2)cn1 585120201 NXBGMFCNWBQYOD-DOMZBBRYSA-N 354.370 1.207 0 40 FDAB O=C(CN1CCO[C@@](CO)(Cc2ccccc2F)C1)NC1CCCC1 585277606 NNZLZGZBDJAGHE-IBGZPJMESA-N 350.434 1.490 0 40 FDAB CCCNC(=O)[C@@H]1CCCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 50719918 DTXAZCCJRDZGKO-CQSZACIVSA-N 371.441 1.829 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)Nc2cccs2)nn1 1549162413 UUVBNOQLTOLAAS-MISXGVKJSA-N 365.459 1.587 0 40 FDAB O=C(CCn1cnc2sccc2c1=O)NCc1ccc2c(c1)OCO2 14202919 FUTGPINHTGZOAW-UHFFFAOYSA-N 357.391 1.893 0 40 FDAB Cn1cc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 19290525 RJSRHJZGKXUKAU-XEWABKELSA-N 365.437 1.968 0 40 FDAB O=C(COc1ccccc1F)NCc1cc(=O)[nH]c(-c2cccnc2)n1 19350247 YPSWKPBRAVZLLY-UHFFFAOYSA-N 354.341 1.666 0 40 FDAB CCc1cc(CNC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)on1 19522779 JRAXDEOZWPATDF-SNVBAGLBSA-N 363.395 1.086 0 40 FDAB CCc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c(=O)nc(C)[nH]c32)cc1 19522864 AGKRLLMHJCGSHZ-OAHLLOKOSA-N 366.425 1.690 0 40 FDAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 19706478 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12180801 ZMZQFSXEBZOKBR-UHFFFAOYSA-N 372.406 1.211 0 40 FDAB Cn1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)n1 2055738693 KPJQRYQTOQGJHQ-LLVKDONJSA-N 369.381 1.218 0 40 FDAB Cc1nc2sc([C@@H](c3ccco3)N3CCN(CCO)CC3)c(O)n2n1 22459046 NYTKELGEYQMINJ-CYBMUJFWSA-N 363.443 1.097 0 40 FDAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Cl)cc1 23230075 SUPUMZHGSVZDOJ-OAHLLOKOSA-N 369.849 1.434 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@H]5CC5(C)C)C[C@H]4C3)nn12 2086896564 RZGHJDCQYPJRHF-HZSPNIEDSA-N 354.458 1.627 0 40 FDAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCOCC1 49028977 JUIGQNFFHNIFDU-UHFFFAOYSA-N 373.438 1.682 0 40 FDAB NC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)C2=O)cc1 49026153 HXUIZSQPFOXNPH-UHFFFAOYSA-N 356.357 1.805 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccsc2)cc1 618257011 OYGBYWHCGDMLJJ-MRXNPFEDSA-N 369.464 1.807 0 40 FDAB CCc1ccc(-c2noc(CN3CCC[C@@H]3CS(N)(=O)=O)n2)cc1 74316178 XAXOKCXQLWSMFE-CQSZACIVSA-N 350.444 1.552 0 40 FDAB Cn1c(=O)n(CCC(=O)NCc2nnc3n2CCCCC3)c2ccccc21 40043351 NKLQWSBZAXVYPW-UHFFFAOYSA-N 368.441 1.364 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)N1CCCN(C[C@@H]2CCCO2)CC1 31081570 SLVRYRVBHWZMFW-INIZCTEOSA-N 361.442 1.812 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(C)c23)CC1 20462914 OYLHNMBZKKKPIP-UHFFFAOYSA-N 358.442 1.839 0 40 FDAB O=S(=O)(NCCCO)c1cc(Br)ccc1Br 11691484 URCGWKNQJGBQJK-UHFFFAOYSA-N 373.066 1.872 0 40 FDAB Nc1nc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc(Nc2ccc(F)cc2)n1 101474240 OYSAHFIUAUVWOS-BETUJISGSA-N 368.372 1.788 0 40 FDAB CN(CC(=O)N1CCCN(CCCc2ccccc2)CC1)S(C)(=O)=O 70037523 MPTWNRANMDBBQC-UHFFFAOYSA-N 367.515 1.045 0 40 FDAB Cn1ncc(Br)c1/C=C1/N=C(S)N(C[C@@H]2CCCO2)C1=O 2803742 PQIHIXPSDHKFKU-SMSHQHMSSA-N 371.260 1.831 0 40 FDAB NC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 21448617 OSEFZWWJSYUFBU-PKOBYXMFSA-N 366.417 1.847 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3cccs3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4393267 RLNWDZPIVGNOKU-HVNMYJMUSA-N 369.439 1.761 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(CC)cc1)C1=C(COC1=O)N2 4495964 ATIBWZVCTWPUCL-AWEZNQCLSA-N 367.405 1.877 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)COc1ccccc1 32982396 IDQLVTYVJUTLON-HIFRSBDPSA-N 350.415 1.274 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1Cc1ccccc1 21816781 KGELJZPBIOYPCT-LJQANCHMSA-N 365.433 1.842 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 8946332 WJZJAHCUBCVAQP-MDOVXXIYSA-N 373.453 1.870 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1 101658194 XUUGJNMYPCPYOE-RWMBFGLXSA-N 368.393 1.690 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)c1 12323773 ZGZQKRDRKFFSKP-LBPRGKRZSA-N 350.378 1.985 0 40 FDAB O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23822358 RMMHQRZWOPPZPA-UHFFFAOYSA-N 354.435 1.714 0 40 FDAB O=C(N[C@@H]1OC(=O)C(Cl)=C1Cl)N[C@@H]1OC(=O)C(Cl)=C1Cl 3102172 KWVSTMSFIOVHGY-PHDIDXHHSA-N 361.952 1.430 0 40 FDAB COc1ccc(C)cc1CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 25762057 RGNHVJATAGHCAI-IBGZPJMESA-N 359.426 1.383 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(CC(C)C)s1 52585485 FKCATPTWGWVYJD-NSHDSACASA-N 360.505 1.879 0 40 FDAB CCCN(C(=O)Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 26407651 MSJHAAROTOYAOW-AWEZNQCLSA-N 353.440 1.426 0 40 FDAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O 57427109 OLALMXDTSXAMPN-UHFFFAOYSA-N 361.423 1.934 0 40 FDAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2cc(C)ccc2OC)cc1 27914245 RWIRFIJYSGRLGZ-UHFFFAOYSA-N 364.423 1.693 0 40 FDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 58268130 FYUCOOIILIPOSV-INIZCTEOSA-N 362.455 1.221 0 40 FDAB COc1ccccc1CC(=O)N1CCC(NC(=O)C[C@@H]2CCCO2)CC1 58216030 YTTKIHSBDNLKHW-KRWDZBQOSA-N 360.454 1.914 0 40 FDAB NC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCC2 3376563 ORFXAPPGSGRNSG-UHFFFAOYSA-N 369.497 1.890 0 40 FDAB COC(=O)C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1 12729242 BWDNZFFLGNXAAS-ZDUSSCGKSA-N 372.402 1.765 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCC(=O)c2cccs2)CC1 12782970 VJEZCSPSUSONAD-UHFFFAOYSA-N 365.499 1.770 0 40 FDAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Br)cc2)C1=O 12767600 COQASMZCQZPDEX-XHDPSFHLSA-N 371.231 1.909 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)NCc1ccc2c(c1)OCCO2 12855878 TXGMZPYOOIQRMH-UHFFFAOYSA-N 370.405 1.903 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)Nc1ccc(Br)cc1F 3527735 VKOXOEGNDPJJGG-UHFFFAOYSA-N 369.150 1.756 0 40 FDAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(N)=O)cc1OC 3506641 MKGMSJNAAPCPCU-UHFFFAOYSA-N 364.379 1.660 0 40 FDAB COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)c1OC 20139792 SLIREPWZVRNILY-MRXNPFEDSA-N 374.489 1.782 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 13254828 KYJGWJJBPQMDCH-KGLIPLIRSA-N 366.439 1.851 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccccc1)S(C)(=O)=O 409025510 WDYGQAUOVDFGKO-LBPRGKRZSA-N 361.423 1.579 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC1CCCC1)O2 64988425 CNDVUNUYIGZETN-MRXNPFEDSA-N 352.456 1.971 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cn3ccccc3n2)NC(=O)N[C@@H]1CC 5254071 PGWGDEHAWXVKKN-LLVKDONJSA-N 372.381 1.400 0 40 FDAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 6642213 IMAJEWXMDLYWGE-YTXTXJHMSA-N 352.412 1.551 0 40 FDAB CCOCCCN1C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3CN2C1=S 4761367 PEFJDCWIMTTYLU-AWEZNQCLSA-N 364.467 1.984 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCCc2cccs2)c(=O)[nH]c1=O 8756151 CXLAUWQJUKMAON-UHFFFAOYSA-N 364.471 1.966 0 40 FDAB Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c1 4971839 VGTRNNSFHMSQFW-UHFFFAOYSA-N 354.370 1.330 0 40 FDAB aggregator COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc(C)cc(N)n1 7049367 ZPTXLLICZIMPJI-AWEZNQCLSA-N 372.450 1.586 0 40 FDAB Cc1ccc(F)cc1-n1ccn(CC(=O)NCc2ccccc2)c(=O)c1=O 67320190 GXNLEFWNPSCFMR-UHFFFAOYSA-N 367.380 1.763 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 7399028 FMZPERTYSWJGRQ-MRXNPFEDSA-N 353.325 1.947 0 40 FDAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)n1c(=O)[nH]c2ccccc2c1=O 8970879 NACDGHBUVVLELO-OAHLLOKOSA-N 366.377 1.379 0 40 FDAB Cc1ccc(N2C(SCC(=O)N(C)C)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8993479 BXCWPYQCTBCPQQ-KBPBESRZSA-N 367.496 1.158 0 40 FDAB C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 89941525 AFRHYQFLBFBDKY-RDTXWAMCSA-N 351.406 1.931 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)Cc1cn(C)nc12 306138104 RPFJROCGDHAYHI-UHFFFAOYSA-N 371.441 1.684 0 40 FDAB CS(=O)(=O)N1CCC(c2nnc3ccc(-c4cccnc4)nn23)CC1 306141774 WGENVDRBXBFJJT-UHFFFAOYSA-N 358.427 1.325 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)n1cncn1 548021529 CYFOFMZPEKETFO-XBFCOCLRSA-N 350.398 1.173 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(C)(C)N1CCOCC1 70696638 CYLRVERXQZHELZ-SFHVURJKSA-N 359.470 1.187 0 40 FDAB CCOc1cc(C(=O)N[C@@H]2CCCNC2=O)cc(OCC)c1OCC 60211916 SYTGANQPUVEPSX-CYBMUJFWSA-N 350.415 1.891 0 40 FDAB CN(C)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334442 HVOJSIRSBISAFO-SIKLNZKXSA-N 363.461 1.932 0 40 FDAB CCCN(C)c1nccn2c(=O)n(CC(=O)NCc3ccc(C)cc3)nc12 49400410 YQVNKPJZJSQPIQ-UHFFFAOYSA-N 368.441 1.362 0 40 FDAB CN(CCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 43010181 OPXBNZHQOUJEOO-HDICACEKSA-N 369.465 1.970 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCCNc1ccnc2cc(Cl)ccc12 225874010 QKRDBRHKHFRGTQ-UHFFFAOYSA-N 374.828 1.955 0 40 FDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)nn1 225448460 YDGVRRMZOQZABA-ZDUSSCGKSA-N 370.409 1.607 0 40 FDAB O=C(Cc1ccc2c(c1)OCC2)N1CCN(CCc2ccncc2)CC1 95479422 RDXVBAIHHKNSAS-UHFFFAOYSA-N 351.450 1.946 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)cc2C1 96105691 MVQKDQXFNBPVGO-UHFFFAOYSA-N 362.336 1.065 0 40 FDAB O=S(=O)(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239740 NFOOCKMBZHCQPV-CQSZACIVSA-N 358.414 1.506 0 40 FDAB NC1(CNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)C2CC3CC(C2)CC1C3 577942784 UEYMVEMMZXQGBH-ZSSBTJPMSA-N 360.502 1.593 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccc(OC)cc1)C2 96143460 WICNGEAHGLCIOR-FQEVSTJZSA-N 373.453 1.238 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224302 BCCQGPUOHVPSFZ-LJQANCHMSA-N 353.426 1.470 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC1CCN(CC(F)F)CC1 579645914 HTXGTQSURIHZRH-GXTWGEPZSA-N 353.479 1.414 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1cccc(F)c1 96240119 WUERBGMFKHCOQN-HXUWFJFHSA-N 371.412 1.855 0 40 FDAB COCC(=O)N1CCC[C@@H](c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)C1 257292342 QLBDHMLGYIFTOG-CYBMUJFWSA-N 370.409 1.898 0 40 FDAB O=C1NCCCN(C(=O)c2ccnc(C3CC3)n2)[C@@H]1Cc1ccccc1 584310286 PWUWZRDYYNSKGZ-QGZVFWFLSA-N 350.422 1.927 0 40 FDAB Cc1cc(N)cc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257262414 LLHLXVWXCGQZJI-SFHVURJKSA-N 354.458 1.936 0 40 FDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1nccn1C)C[C@H]2c1ccccc1 257266013 MBFWARLZIISGMD-PXCRPINLSA-N 368.481 1.617 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@H]1CCN(c3cc(C)nn3C)C1=O)C2 636860348 ROMVMMDSLWIVTH-HNNXBMFYSA-N 369.425 1.568 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CN2C(=O)CCc3ccccc32)C1 644119621 XZUPKDAYRSDHGA-ZBFHGGJFSA-N 354.410 1.678 0 40 FDAB Cc1ccc2cccnc2c1S(=O)(=O)NCC1(C(=O)O)CCOCC1 681581524 RMENYLJWXKQACQ-UHFFFAOYSA-N 364.423 1.703 0 40 FDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCc2nnc(-c3ccccc3)n2CC1 91444471 IRZFUEZRODQFIM-HNNXBMFYSA-N 365.437 1.341 0 40 FDAB CCN1CCO[C@@H](CN[C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C 1775959726 SLDJVMHDRJYNTL-JCGIZDLHSA-N 358.490 1.675 0 40 FDAB COC[C@H]1CN(Cc2cccs2)CC12CCN(C(=O)CN(C)C)CC2 585102901 HHSOBXCCIIRKBA-MRXNPFEDSA-N 365.543 1.997 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4ccnn4C)C3)C2=O)n1 585100935 IFYRQOCUQCOQLR-HXUWFJFHSA-N 367.453 1.778 0 40 FDAB O=C(C[C@@]1(COc2cccc(Cl)c2)CNCCO1)N1CCOCC1 585271014 DXSBXQNPKKMAIR-KRWDZBQOSA-N 354.834 1.326 0 40 FDAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101173 KYTFEVSXHOLKRW-HNNXBMFYSA-N 356.348 1.871 0 40 FDAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 684877874 AUVWSGQINPFFHD-MRXNPFEDSA-N 362.455 1.825 0 40 FDAB O=C(c1cn[nH]n1)N1CCN(Cc2ccc(Br)s2)CC1 48889665 AAGJRHKJTYKSPL-UHFFFAOYSA-N 356.249 1.587 0 40 FDAB O=C(NC1CCCCC1)N1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 54709178 BUVABOLEBLKJEO-UHFFFAOYSA-N 366.849 1.828 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)O)[C@H]4CCC[C@H]43)cc2C1=O 630276572 WMHHVUBXKJYDMR-OSAQELSMSA-N 356.378 1.628 0 40 FDAB O=C(c1csnn1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1614484609 MLSZTPQELUFMFF-SFHVURJKSA-N 372.450 1.966 0 40 FDAB CS(=O)(=O)c1nc2nc(I)c(Cl)cc2[nH]1 221894110 CGPYBQNRXLDREJ-UHFFFAOYSA-N 357.560 1.619 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(OC)cc2)NC(=O)N[C@H]1C 6083260 CKJXBBBGHXIKGU-PMDBQALLSA-N 374.393 1.770 0 40 FDAB O=S(=O)(NCCCCNS(=O)(=O)c1ccccc1)c1ccccc1 5485359 PAZXQGRWUKNSKJ-UHFFFAOYSA-N 368.480 1.724 0 40 FDAB COc1cc(C(=O)N2CCC(C(N)=O)CC2)cc(OC)c1Br 13007254 DMISYOBZYFDUPQ-UHFFFAOYSA-N 371.231 1.804 0 40 FDAB C[C@@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCCC1=O 19078473 WGFKMBXDERKSHB-LSDHHAIUSA-N 371.485 1.181 0 40 FDAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@@H]4CCCN4C)n3CC2)s1 19706317 DOTDZDCKWCZKHQ-ZDUSSCGKSA-N 360.487 1.817 0 40 FDAB Cc1cnc(CCNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)s1 19749397 NWCMCQVJZRNIRY-UHFFFAOYSA-N 370.438 1.654 0 40 FDAB COc1cccc(O[C@H](C)CNS(=O)(=O)N2CCC(C(=O)O)CC2)c1 568626345 SDTQVSGVSXQGHJ-GFCCVEGCSA-N 372.443 1.094 0 40 FDAB O=c1[nH]c2cc(F)c(S(=O)(=O)N3CC[C@H](OC(F)F)C3)cc2o1 569213536 IWMQVUWFULACEF-LURJTMIESA-N 352.290 1.262 0 40 FDAB CCOc1ncccc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 1888853307 YUWXMSAHCCIWME-UHFFFAOYSA-N 353.426 1.720 0 40 FDAB NC(=O)C1CCN(CCCCNC(=O)NCCc2ccc(F)cc2)CC1 31093795 ZLBQYAJOFBODFS-UHFFFAOYSA-N 364.465 1.645 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2Br)CCO1 21013068 GHQYOPWADYAIGK-QMMMGPOBSA-N 364.217 1.557 0 40 FDAB O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 2456958 HKUFFSLGNRLAJW-UHFFFAOYSA-N 362.411 1.984 0 40 FDAB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN(C)CC[C@H](OC1=O)C2=O 4916227 HPDHKHMHQGCNPE-ILUGEYPLSA-N 365.426 1.010 0 40 FDAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cccc(=O)n1C)C2 2055750875 HRFSHDGHBBNEBM-HNNXBMFYSA-N 356.426 1.285 0 40 FDAB Cc1cccc(OC[C@@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)n1 1775972260 VVBLXVVMUOPPDJ-QGZVFWFLSA-N 370.453 1.881 0 40 FDAB c1cnc2ncnc(N3CCN(c4ccc(-n5cccn5)nn4)CC3)c2c1 2086889350 NBOZUYWGGVJYGF-UHFFFAOYSA-N 359.397 1.327 0 40 FDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cnn2cccnc12 225807110 AULIGCPEZDTUGS-UHFFFAOYSA-N 361.287 1.721 0 40 FDAB CCOC(=O)CCC(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390828940 CGYWLNWPNIRQQR-UHFFFAOYSA-N 374.397 1.004 0 40 FDAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)n(C)c(=O)n(C)c1=O 20758223 MCEMBJYBPHJPPR-INIZCTEOSA-N 354.410 1.238 0 40 FDAB biogenic O=C1NCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 50635416 ONBLCUTZOWRMHY-MTPYNGCESA-N 373.497 1.589 0 40 FDAB Cc1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20484983 MHMPMQMRQGZPJD-QGZVFWFLSA-N 360.435 1.838 0 40 FDAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 46397645 WMCUBUDPDLTTBX-RDJZCZTQSA-N 373.478 1.860 0 40 FDAB O=C(NCCNC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1755952 RWNYTJHBXNDUAB-UHFFFAOYSA-N 350.844 1.959 0 40 FDAB Cc1cc(C(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(C)n1C 3400734 MSJYMWKRQWQUPF-UHFFFAOYSA-N 362.411 1.102 0 40 FDAB CCOc1ccc([C@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 3903526 WFEUSWMZEFNFQO-CYJAXWMASA-N 364.394 1.471 0 40 FDAB Cn1c(SCc2ccc(C(N)=O)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 32837691 XLCUAQIYFBPUIC-GFCCVEGCSA-N 366.468 1.108 0 40 FDAB COc1ccccc1NC(=O)C1CCN(CC(=O)NC(=O)NC2CC2)CC1 29905518 RKLMWQDJIXNJKU-UHFFFAOYSA-N 374.441 1.334 0 40 FDAB Nc1ccccc1C(=O)OCC(=O)Nc1ccccc1N1CCOCC1 6045416 BKBMSSULCKCCFC-UHFFFAOYSA-N 355.394 1.901 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 6267065 JXPHMYJZMLJQFB-GFCCVEGCSA-N 361.423 1.951 0 40 FDAB CCCNS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1N1CCCC1 10009844 UADLWTCQABQGMV-UHFFFAOYSA-N 351.472 1.867 0 40 FDAB CNc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 10157667 FYWLYIBCCOYKEY-OAHLLOKOSA-N 365.437 1.709 0 40 FDAB Cn1c(=O)c2c(ncn2[C@H](C(=O)c2ccccc2)c2ccccc2)n(C)c1=O 8129296 WCVNVMZVVXDLGT-INIZCTEOSA-N 374.400 1.906 0 40 FDAB COc1ccc(F)cc1C(=O)COC(=O)c1csc(S(N)(=O)=O)c1 10873814 FEOSJEWWCNGLKI-UHFFFAOYSA-N 373.383 1.583 0 40 FDAB O=C(CCC(=O)N1CCOCC1)NCc1cccnc1OC1CCCC1 41426921 JLYAVTJYCWKDFR-UHFFFAOYSA-N 361.442 1.658 0 40 FDAB Cn1ccc(CS(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1=O 47317741 IRFULOVPESWBBC-UHFFFAOYSA-N 352.387 1.468 0 40 FDAB O[C@@H](Cc1ccccc1)CN1CCN(C[C@H](O)Cc2ccccc2)CC1 23479833 PMQHDSURMLJKRQ-SZPZYZBQSA-N 354.494 1.811 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4snnc4C)C3)cc2n1 100137874 KDXCWRYMIQRABV-LLVKDONJSA-N 358.427 1.923 0 40 FDAB CC1(C)C[C@H]1C(=O)N/C(=C/CCCCSC[C@H](N)C(=O)O)C(=O)O 1529258 DHSUYTOATWAVLW-NYDONADRSA-N 358.460 1.433 0 40 FDAB CCN(CC(=O)Nc1ccccc1C(N)=O)C[C@@H]1COc2ccccc2O1 52896260 ACCXMPSTMZEMLT-CQSZACIVSA-N 369.421 1.886 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccs1 57415918 YXLQYRIKJMAGBH-ZDUSSCGKSA-N 353.469 1.578 0 40 FDAB C[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@@H]2CC[C@@H]1C2 101635545 XTYMRHPUEMVNQC-KBUPBQIOSA-N 360.458 1.447 0 40 FDAB Cc1ccsc1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58192454 HKPHFXXZOGCFLK-UHFFFAOYSA-N 358.467 1.920 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)CCO1 10865284 WHOJJGJQVJQMJD-SMDDNHRTSA-N 364.423 1.280 0 40 FDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC(=O)NC1CCCCC1 3366969 IFEHINKCMADWSY-HNNXBMFYSA-N 362.382 1.528 0 40 FDAB Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2nc3ncccn3n2)n1 36618729 OBDBUSYKBBYVDU-VIFPVBQESA-N 367.335 1.714 0 40 FDAB COC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 12764132 AQISRZFNOPHWKG-KRWDZBQOSA-N 369.421 1.952 0 40 FDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2cnccn2)CC1 11545006 RKXAXMCCHVFNIS-UHFFFAOYSA-N 364.409 1.633 0 40 FDAB COc1ccc(C(N)=O)c(OCC(=O)NC(=O)NCc2ccccc2)c1 12867625 VKCNKSDYXMRTCV-UHFFFAOYSA-N 357.366 1.199 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCC3)NC(=O)NC1 12999792 NQIYVHDXBRUFSS-UHFFFAOYSA-N 364.423 1.914 0 40 FDAB CN(C)C(=O)CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8359012 ZMQMCXPLKXHCPE-UHFFFAOYSA-N 350.378 1.204 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 38946076 XNQACBPMOHHVPM-UHFFFAOYSA-N 367.814 1.242 0 40 FDAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N[C@@H]1CCS(=O)(=O)C1 13683703 ZKHJNPQCGOXJKI-MRVPVSSYSA-N 360.848 1.007 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306132213 LBTNSPUWAGVNGU-AWEZNQCLSA-N 350.440 1.276 0 40 FDAB COC(=O)C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1 14185980 RGOGMEXVFGGXHL-MRXNPFEDSA-N 365.389 1.817 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)Cn1c(=O)n(C)c2ccccc21 14225737 QJWMVOLQNBMBOP-UHFFFAOYSA-N 366.421 1.657 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 5484026 VEJLCDUPKLTUFA-UHFFFAOYSA-N 358.383 1.422 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1C 5558927 IMMJBFBZSFAMAM-WCQYABFASA-N 354.428 1.311 0 40 FDAB CNC(=O)CC1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 80693686 BWQPMCLZJPDHRF-KRWDZBQOSA-N 372.469 1.740 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCO1 9854211 UGFQVKVBDUXHKB-CYBMUJFWSA-N 364.423 1.619 0 40 FDAB COc1cc(C(=O)NCCCNC(=O)c2cnccn2)cc(OC)c1OC 9355895 NIPZEVZMVBUNBP-UHFFFAOYSA-N 374.397 1.052 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1sccc1C(N)=O 9315220 JMCBMCMKTNLQPM-QMMMGPOBSA-N 362.363 1.760 0 40 FDAB O=C(CN1C=NC2=NS(=O)(=O)c3ccccc3N21)NCc1ccccc1 71890321 ARUHDCPNTKMQFG-UHFFFAOYSA-N 369.406 1.127 0 40 FDAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(Cc1cccnc1)CN2 19939606 PZGCJTRGNZUAOL-UHFFFAOYSA-N 353.357 1.445 0 40 FDAB Cc1ncsc1CN1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 306141687 WDXKRPLMFAPISF-INIZCTEOSA-N 368.466 1.916 0 40 FDAB C[C@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCC(F)(F)F 72036831 ORKKYRLLEXLGFV-ZETCQYMHSA-N 356.395 1.534 0 40 FDAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnnn3C3CC3)oc(C)c12 9739824 MKFTWNOOHNBHCC-UHFFFAOYSA-N 361.387 1.185 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95479372 KPMZTNAJJPQFLP-LBPRGKRZSA-N 360.389 1.598 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)C(F)(F)F 95419087 PDLIPGBGXBGBOZ-NWDGAFQWSA-N 350.362 1.646 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 409147858 WQQOVLSPBZBXCA-UHFFFAOYSA-N 374.459 1.013 0 40 FDAB Cn1c(CN2CC2)c(C(=O)c2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 36360355 CQQXTQPJINKALI-UHFFFAOYSA-N 368.220 1.437 0 40 FDAB C[C@@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670198 WVQPXYTWLGXRJM-UCQBOQSVSA-N 368.389 1.364 0 40 FDAB CCn1nccc1/C=c1\sc2n(c1=O)[C@@H]1C[C@](C)(N=2)Oc2ccccc21 71785035 WNDIDGUEWXLWMR-SSTUVSIESA-N 366.446 1.676 0 40 FDAB CC[C@@H](c1nnnn1CCOC)N1CCN(c2ccccc2OC)CC1 35310981 WZFSUWUYPFXFQU-HNNXBMFYSA-N 360.462 1.601 0 40 FDAB Cc1nn(C)c2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)nnc12 32647274 UTYRLFLPNKEXOY-UHFFFAOYSA-N 366.303 1.491 0 40 FDAB O=C(Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1)C1CC1 72321527 DZMKPAKELBVSOP-IEBWSBKVSA-N 374.437 1.475 0 40 FDAB biogenic,in-vitro CC(C)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CC1 36727504 VUYCRAIEVDKVKV-ZDUSSCGKSA-N 365.861 1.785 0 40 FDAB CCOC(=O)[C@H]1Cc2cc3c(cc2NC1=O)NC(=O)[C@H](C(=O)OCC)C3 13403086 FRYCXCFNPMLCOU-TXEJJXNPSA-N 360.366 1.034 0 40 FDAB biogenic COc1ccc(S(=O)(=O)NC2CCCC2)cc1N1C(=O)CCC1=O 222612966 YBSXTMAEKYFGLK-UHFFFAOYSA-N 352.412 1.570 0 40 FDAB COCCNS(=O)(=O)c1ccc(OC)c(-c2nc(C(C)C)no2)c1 46020282 JWRZGBAABRLCKS-UHFFFAOYSA-N 355.416 1.793 0 40 FDAB Cc1ccc2ncc(C(=O)Nc3cc(C4CCOCC4)[nH]n3)c(=O)n2c1 81095550 HGBJSPWSHDXTID-UHFFFAOYSA-N 353.382 1.872 0 40 FDAB Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c2c(C)nn(C)c2n1 48343377 HRIMIIYNKIPFJX-UHFFFAOYSA-N 353.430 1.833 0 40 FDAB O=C(NCCCc1cnc2ncnn2c1)c1ccc(Br)o1 225645171 FAKQSNSQQSOQCG-UHFFFAOYSA-N 350.176 1.842 0 40 FDAB Cn1cccc1C(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@@H]1n1ccnn1 1069897163 CFGKJQJUHMMUNF-AEFFLSMTSA-N 354.458 1.772 0 40 FDAB O=S(=O)(CCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 225635065 VDGBZSAUQICCER-UHFFFAOYSA-N 374.466 1.201 0 40 FDAB CC(C)n1cnnc1SCC(=O)N(CCC(N)=O)Cc1ccccc1 198186088 UTVGNZLJDCUENK-UHFFFAOYSA-N 361.471 1.855 0 40 FDAB CCOC[C@H]1C[C@]2(COCCN2S(=O)(=O)c2cccc(C)c2)CO1 96240744 UNMGFRLLGPTSTJ-WBVHZDCISA-N 355.456 1.580 0 40 FDAB O=S(=O)(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)C1CC1 96059774 XYRAESHDBFINNP-HNNXBMFYSA-N 355.460 1.005 0 40 FDAB O=C(Cn1ccnc1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 577117772 SPPFVOLFUXFUNJ-IBGZPJMESA-N 362.433 1.927 0 40 FDAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]12 96056312 MMKUCHBTWJFZDB-RRQGHBQHSA-N 354.472 1.541 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)n1 96207321 YSPPTHJVKWVDLI-DLBZAZTESA-N 353.488 1.453 0 40 FDAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCN(C)CC2)COC1 96112745 XCKOBXCTLDWNCX-HNNXBMFYSA-N 358.442 1.578 0 40 FDAB biogenic,in-vitro O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccnnc1 96044412 WXPXGCIIJUJNNE-MRXNPFEDSA-N 357.414 1.144 0 40 FDAB O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 96160291 RWTYGNGLAUITAZ-SJLPKXTDSA-N 350.415 1.002 0 40 FDAB Cc1ccn(CCC(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)n1 257210925 BWRXHLZOYNZAFL-IXDOHACOSA-N 354.458 1.745 0 40 FDAB CN(C)c1cc(CC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257317680 VKTONMZMYLVFHW-KRWDZBQOSA-N 357.458 1.594 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(O)C=C[C@@]3(C[C@H]2C(=O)O)[C@H]1C5 253505048 PHVHFUCWRHIUOT-HTQFWGHXSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro CN(C)S(=O)(=O)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 257245374 IPENSGLGOXIBJW-MRXNPFEDSA-N 366.418 1.462 0 40 FDAB Cc1cc(-c2cc(C3CCN(S(=O)(=O)N(C)C)CC3)nc(C)n2)[nH]n1 257202284 ALDSZVASLMHBHO-UHFFFAOYSA-N 364.475 1.469 0 40 FDAB CN1CCC(C(=O)N2CCC[C@@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)CC1 257332674 XYFNEHBXLIFUKL-HNNXBMFYSA-N 368.485 1.990 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257344337 ZWTOHJWPIQSYMS-OAHLLOKOSA-N 355.398 1.030 0 40 FDAB Cc1cc2ncc(C(=O)N3CCC[C@@](O)(CN4CCCC4)CC3)c(N)n2n1 257297101 RFVXJZLBXPDNEO-IBGZPJMESA-N 372.473 1.073 0 40 FDAB CCc1cnc(O)c(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 614182281 IHPJSQCPACTTJA-UHFFFAOYSA-N 354.410 1.445 0 40 FDAB O=C(NC[C@@H]1CCCN1CC(F)F)N1CCN(c2ncccc2F)CC1 624570322 GVTSIHITLDORJJ-ZDUSSCGKSA-N 371.407 1.782 0 40 FDAB O=C(COc1ccc(Cl)c(F)c1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644069104 BBWWYJMKWDIIDD-XZJROXQQSA-N 356.825 1.962 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(N(C)C(C)C)c1 666041108 GLLZXMCWTDPBMF-LSDHHAIUSA-N 355.460 1.465 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1CCCC1(F)F 672430745 DWZJWBOVQPLNBU-ZDUSSCGKSA-N 372.393 1.780 0 40 FDAB O=C(CC1(O)CCC1)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093278 NCGKIZWLZPHWQC-MRXNPFEDSA-N 356.413 1.788 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc4cccc(C)c4o3)C2)C1 685942943 UXJQISHMFYSJKD-CYBMUJFWSA-N 355.394 1.160 0 40 FDAB COC(=O)c1cc(NC(=O)NCCCCN2CCOCC2)c(F)cc1F 69483866 PLAWVEZLEOZREW-UHFFFAOYSA-N 371.384 1.985 0 40 FDAB COc1ccc(-c2noc(N3CCN([C@H]4CCNC(=O)CC4)CC3)n2)cc1 576912317 NZSBWRFSMAASBO-OAHLLOKOSA-N 371.441 1.536 0 40 FDAB Cc1cc(N[C@@]23CC[C@H]2CN(C(=O)c2cnc(C)s2)C3)nc(CO)n1 1615057166 FDISIVHHWZSWBT-YVEFUNNKSA-N 359.455 1.759 0 40 FDAB C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)C(=O)O 5593517 RYPYDCCATVFVDF-JTQLQIEISA-N 374.422 1.047 0 40 FDAB CCc1cc(=O)[nH]c(NC2CCN(CC(=O)NC3CCCCC3)CC2)n1 12113701 HNGOIKYEWJGCMC-UHFFFAOYSA-N 361.490 1.658 0 40 FDAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1OC 15733961 FFCRBFMSYHLLKV-UHFFFAOYSA-N 361.379 1.834 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 19375624 DGQLQHYALHQQPQ-TZMCWYRMSA-N 363.439 1.426 0 40 FDAB COc1cccc(C(=O)NCCn2nc([C@H]3CCNC3)c3cccnc32)c1 19564824 OLNTUSIMBXDMTN-HNNXBMFYSA-N 365.437 1.947 0 40 FDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 19748293 TYWIJUMYXNZFEP-GFCCVEGCSA-N 370.519 1.146 0 40 FDAB COC(=O)c1cc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)ccc2nc1C 19821646 HZBSTKKFRQCIDD-UHFFFAOYSA-N 373.390 1.128 0 40 FDAB CCn1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 225734222 PJHYANQNIUGBOT-UHFFFAOYSA-N 368.363 1.983 0 40 FDAB Cc1nc2ncnn2c(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1C 1888890507 UAWISJOIRCWMCJ-GASCZTMLSA-N 362.393 1.367 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)c1F 1888897722 QXOHIDBFNRIHJY-TXEJJXNPSA-N 368.420 1.427 0 40 FDAB Cn1ccc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)ncnc21 1888906463 ICXBGIPOQZMMKT-HZPDHXFCSA-N 361.405 1.590 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(c2ncnc3c2cnn3C)CC1 1889138781 VQMGVLXVSHCEPK-UHFFFAOYSA-N 358.837 1.912 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1 1848825568 LLHAYVLMLUJAGL-UHFFFAOYSA-N 364.837 1.613 0 40 FDAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 22239708 CCGPMXJKVCDSDV-NWDGAFQWSA-N 366.468 1.051 0 40 FDAB Cc1c(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cnn1C 1147461026 ZNOBDBNSTMRTGS-UHFFFAOYSA-N 368.437 1.767 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC(C1CC1)C1CC1 25515049 DCJGZWXUFWAVOD-UHFFFAOYSA-N 353.422 1.363 0 40 FDAB Cn1cc(-c2nnn3c2CO[C@H](CNC(=O)/C=C/c2cccs2)C3)cn1 1614937983 WBFFOKKRDUKAPI-MUBLQREKSA-N 370.438 1.469 0 40 FDAB CC1CC(C(=O)N2CCOC[C@@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)C1 1614934879 SFYRIHMMFUAPSP-IADFQQGMSA-N 361.442 1.066 0 40 FDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CC1(O)CCC1)CC2 1142618326 OTBALFSLYFXODH-OAHLLOKOSA-N 352.475 1.415 0 40 FDAB C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccncc1F 2086945996 ZQOFAARLWUNPNE-CYBMUJFWSA-N 374.441 1.876 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)[C@]1(C)CC=CCC1)OC2 1565546715 IVYOJZOJLKXGHX-ORAYPTAESA-N 360.458 1.852 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)O1 1565547145 LCZACQSZCAUWOM-APWZRJJASA-N 354.491 1.408 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)c(OC)c1 1565554935 LIHLAOIFJVGOAQ-QGPMSJSTSA-N 374.437 1.460 0 40 FDAB CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(=O)OC)cc1 4786714 XJETXBBCXSUDBI-OAHLLOKOSA-N 370.413 1.617 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)c1 13846248 PLMQIIAXJOQWEK-UHFFFAOYSA-N 361.427 1.407 0 40 FDAB O=C(NC1CCC1)c1nnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2 2055844892 MEDISDIBJCMXGW-UHFFFAOYSA-N 374.832 1.655 0 40 FDAB CN([C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)S(=O)(=O)C1CC1 2086886984 LTMNFZPUDGKPCG-JTQLQIEISA-N 364.393 1.888 0 40 FDAB CC[C@H](C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230211743 QINNBCZMAYXQOG-YDHLFZDLSA-N 362.426 1.334 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N(C)C 40121213 LECZFKCKMUQSRW-ZFWWWQNUSA-N 361.442 1.283 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 30583486 JBXRPMUWRSUYJU-UHFFFAOYSA-N 370.381 1.274 0 40 FDAB COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(N)=O)cc1Br 101186035 LFMCNUHANARVBI-LBPRGKRZSA-N 370.203 1.580 0 40 FDAB Nc1nnc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 3340697 ONKWKVQWPJEJCO-UHFFFAOYSA-N 372.497 1.434 0 40 FDAB CC(C)CNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029240 BVLXHVMZLLOMDM-CQSZACIVSA-N 359.469 1.033 0 40 FDAB O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815708 CXZIMDDFKBWMLI-UHFFFAOYSA-N 354.359 1.692 0 40 FDAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 8944863 GWLCZFKQKCNTJA-UHFFFAOYSA-N 358.416 1.294 0 40 FDAB CCOC(=O)Cn1cc2c(c1-c1ccc(C)cc1)c(=O)n(C)c(=O)n2C 801316 ABWNPPHEYNVMFC-UHFFFAOYSA-N 355.394 1.577 0 40 FDAB Cn1c(=O)c2c(nc(NN)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 12559494 WPIPIRCHBAXENI-UHFFFAOYSA-N 369.212 1.074 0 40 FDAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccc(F)cc2)cc1 25065936 RUJQFYWIYQXCJT-UHFFFAOYSA-N 372.443 1.135 0 40 FDAB COc1cc(C[C@@H]2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O 1427445 OGCBIGOFBUQONP-CQSZACIVSA-N 354.362 1.838 0 40 FDAB CN(C)[C@H](CNC(=O)Nc1cccc(-c2nnnn2C)c1)c1ccco1 43937156 OALSHNGDYBUHIX-CQSZACIVSA-N 355.402 1.895 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35375463 VNURPNKDOYXSEL-QQKMAINDSA-N 361.829 1.879 0 40 FDAB CC(C)C(=O)NCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 58086261 RPVNWYWQHQQSLY-UHFFFAOYSA-N 361.851 1.637 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)CCN1C(=O)CCC1=O)N1CCCC1 27571709 YETOVADKVXHZNH-MRXNPFEDSA-N 373.453 1.487 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)Cn3cc(C)cn3)CC2)nc1 58165939 ORLURHADFAONLR-UHFFFAOYSA-N 357.414 1.112 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)NC[C@H](C)NC(=O)c1c(C)cc(=O)oc1C 2294219 JJOOXTMQHFCUOZ-NSHDSACASA-N 374.393 1.375 0 40 FDAB Cc1ccccc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 36383784 DPSGAGKVKMIESI-UHFFFAOYSA-N 361.511 1.854 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NCCOc1ccccc1 2320904 DGLKPBYTKPHMFC-UHFFFAOYSA-N 355.423 1.950 0 40 FDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 45749685 BOTLYTHZSAZASM-WMLDXEAASA-N 355.438 1.847 0 40 FDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 13042450 QOOOUNUNOQHCHQ-ZDUSSCGKSA-N 367.471 1.572 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(OCC)cc2)n(C)c1=O 13539861 NQZWTEXRLHZZSS-UHFFFAOYSA-N 369.425 1.857 0 40 FDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8752180 FEYJJCWVDVKXAC-RXMQYKEDSA-N 374.348 1.040 0 40 FDAB CN(C)C(=O)CN(C)C(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 8764867 MOJHFGIWMSFXOB-UHFFFAOYSA-N 364.398 1.061 0 40 FDAB biogenic O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2cccs2)CC1 8727502 WCXZMMMRFYFJGS-UHFFFAOYSA-N 359.498 1.368 0 40 FDAB CCOC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 65154640 CKYZIZADCYQEMU-UHFFFAOYSA-N 370.413 1.590 0 40 FDAB O=C(C1CC1)N1CCN(Cn2nc3c(c(C(F)(F)F)c2=O)CCC3)CC1 14187120 HLVFCUVJBZMLJL-UHFFFAOYSA-N 370.375 1.263 0 40 FDAB CC(C)C(=O)N1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 14168526 NPFXOHNQDYORHB-RDTXWAMCSA-N 350.463 1.245 0 40 FDAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)N(C)c1ccccc1 6545548 UODZPMKBZHLCBZ-CQSZACIVSA-N 365.389 1.991 0 40 FDAB O=C(O)CNC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12 6624143 ZARDJGVHRIWAMD-UHFFFAOYSA-N 373.413 1.327 0 40 FDAB biogenic Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)no1 5937440 QLRLLUQRXJTPAG-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71279698 IHDCBMSLUYXDKD-KBPBESRZSA-N 366.439 1.912 0 40 FDAB Nc1nc(N)nc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n1 7177623 WBSBGQIWSHCZAI-UHFFFAOYSA-N 367.291 1.148 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1nc(N)nc(N)n1 7315960 UCSCMOLDXBJGNR-CYBMUJFWSA-N 354.370 1.043 0 40 FDAB O=C1NC[C@@H]2CN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CCN12 79024413 CQDFWJWBVIBFKX-GFCCVEGCSA-N 367.331 1.965 0 40 FDAB CC1CCN(c2cccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1 95454978 LXVFPCDCNSVNRP-CYBMUJFWSA-N 354.476 1.721 0 40 FDAB COc1ccnc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)n1 24209710 KKKLKEXGMYEUSA-UHFFFAOYSA-N 358.398 1.465 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 20456651 VIWYBEZHQLUQAH-AWEZNQCLSA-N 371.528 1.413 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CC2)cc1 95989644 KCFYBGTXIRUUKM-LBPRGKRZSA-N 366.439 1.597 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)C1CCN(C(=O)N2CCCC2)CC1 75117583 ZSAHOIVEPQWUDT-UHFFFAOYSA-N 351.447 1.818 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 24029755 CLOPNZAGXNOVGS-UHFFFAOYSA-N 361.398 1.674 0 40 FDAB O=C(NCc1nnc2n1CCN(C(=O)c1ccco1)CC2)c1ccccc1 11969512 JXNCOMLUXRZEIV-UHFFFAOYSA-N 365.393 1.500 0 40 FDAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)n1 306123712 AUMHNDMEBUUMTO-KBPBESRZSA-N 352.442 1.178 0 40 FDAB O=C(NCCc1ccc(O)nc1)[C@@H](c1cccc(F)c1)N1CCOCC1 552035353 UVABLWOGWOASBG-GOSISDBHSA-N 359.401 1.659 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 547548647 NZTSXEGRLXHVAC-WCQYABFASA-N 371.411 1.006 0 40 FDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cc(F)ccc1F 189096752 BZXVJIJMPQCMRB-CYBMUJFWSA-N 355.429 1.994 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 32953433 IRXFOQJIDHWIIH-LLVKDONJSA-N 352.334 1.948 0 40 FDAB COc1cc(C[C@@]2(c3ccc(F)cc3)NC(N)=NC2=O)cc(OC)c1OC 71974972 LYXFPBVRTPFMNB-IBGZPJMESA-N 373.384 1.734 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cn1 32882610 DAKZCFRBPBDIRC-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)cc1 72361823 YEGYDFCYONEUPE-CQSZACIVSA-N 369.425 1.892 0 40 FDAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 70638313 CGINIGLILCPFDS-UHFFFAOYSA-N 360.435 1.966 0 40 FDAB COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222674561 UPQFYENZXUYSEN-UHFFFAOYSA-N 373.409 1.527 0 40 FDAB O=C(Cn1ccccc1=O)NC1CCN(C(=O)c2ccccc2F)CC1 48290219 BQGNCELCAPBNNR-UHFFFAOYSA-N 357.385 1.408 0 40 FDAB COc1cc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc(OC)c1 224266272 PEOAKJKGVGSOLQ-UHFFFAOYSA-N 372.429 1.890 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CO)Cc1ccccc1 98208034 PKPIHOLUWUTPLW-HNNXBMFYSA-N 351.406 1.576 0 40 FDAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@H]1O2 96253465 CPIAVBFJDKLXJS-DVOMOZLQSA-N 372.356 1.577 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 92563831 HJNFKVVVGOSDKZ-HNNXBMFYSA-N 362.455 1.335 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@H](c2ccncc2)C1 579636063 RVDYKMZASFLTFJ-CQSZACIVSA-N 365.480 1.828 0 40 FDAB COCCCNC(=O)CCc1c(C)[nH]c2c3c(F)cccc3nn2c1=O 96232631 AQZVGNQRVFAYHZ-UHFFFAOYSA-N 360.389 1.709 0 40 FDAB CSc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4nc[nH]n4)C3)CC2=O)cc1 583689289 GAFMOSGWVUCYOW-QWHCGFSZSA-N 371.466 1.896 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(-c3cnc4ncccn34)cn2)C1 257335895 YMIXEHMWPFDHHZ-CQSZACIVSA-N 357.439 1.930 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257337971 YVGLEVOGYWJZJC-SFHVURJKSA-N 355.442 1.976 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 250659165 DGGODKVUHYOOCK-HOCLYGCPSA-N 374.437 1.911 0 40 FDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3ccc4ccccc4n3)C2)CC1 257204060 ASWWJWNIUFSNPO-HXUWFJFHSA-N 354.454 1.059 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CCO1 257273071 NFDLNRNMEZBTDB-AWEZNQCLSA-N 354.414 1.424 0 40 FDAB Cn1nc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)cc1C(F)(F)F 257254572 KDSHYASYRGDOFI-SECBINFHSA-N 355.320 1.954 0 40 FDAB COCC(=O)N1CCN2[C@H](CN(Cc3ccc(OC)cc3)CC2(C)C)C1 253395723 CHKJRAUUTSJXQW-QGZVFWFLSA-N 361.486 1.449 0 40 FDAB biogenic,in-vitro CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2ccnn2C)cn1 257314698 UYCLVQLEHHYZLL-UHFFFAOYSA-N 352.398 1.172 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)ccn1 257292378 QLEXIAYKZQZFNR-SFHVURJKSA-N 355.442 1.748 0 40 FDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 360236758 GCCPMOHHXAJKGR-UHFFFAOYSA-N 361.417 1.402 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)NCCc2nnc3ccccn23)c1C 604419627 JLFGDFOOSIDCMW-UHFFFAOYSA-N 368.426 1.356 0 40 FDAB Cn1cnnc1CN1CCC(COc2ncc(Br)cn2)CC1 1775995988 PWVXWQTXOHTMCZ-UHFFFAOYSA-N 367.251 1.659 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)C1(CO)CC1 617911711 XTWVXGMMDDMZJK-QWRGUYRKSA-N 360.863 1.284 0 40 FDAB CN1CCCC[C@@H](CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 624137429 LGRUJXRCPMIXLR-GJZGRUSLSA-N 365.499 1.589 0 40 FDAB O=S1(=O)CCN(Cc2ccc(I)s2)CC1 602461585 XRRQFQPKWIKEMS-UHFFFAOYSA-N 357.238 1.583 0 40 FDAB CCC(=O)N[C@H](C)C(=O)N1CCC([C@@H]2CCCCCN2C(C)=O)CC1 597041937 VGAOFEXMUDGZTM-PBHICJAKSA-N 351.491 1.931 0 40 FDAB NCc1cn([C@H]2CCN(Cc3nc(-c4ccc(F)c(F)c4)no3)C2)nn1 631845316 YNQYHGZZDCSUJW-LBPRGKRZSA-N 361.356 1.512 0 40 FDAB COc1cc([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)ccc1OC(C)C 643164468 HNFVHCQPAGRCHP-NSHDSACASA-N 361.398 1.773 0 40 FDAB O=C(Nc1cnc(O)nc1O)C1CN(c2cc(-c3ccccc3)ncn2)C1 390827136 FBFNCMKWXXDEDH-UHFFFAOYSA-N 364.365 1.420 0 40 FDAB Cc1ccc(CN(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 575420086 FKEBWAFDYDIJPL-LJQANCHMSA-N 366.527 1.706 0 40 FDAB Cc1ccc(CN(C2CC2)S(=O)(=O)c2cnn(CC(=O)O)c2)cc1C 577846020 UAGDBPNHCBKELN-UHFFFAOYSA-N 363.439 1.938 0 40 FDAB O=C(CCc1cccnc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585274014 YHVNJRXJBDLUPK-HXUWFJFHSA-N 358.413 1.986 0 40 FDAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@]1(O)CCCOC1 585091637 CQAQFHJQWYFECQ-PMACEKPBSA-N 373.453 1.115 0 40 FDAB CCn1c(=O)c(N2CCC[C@@](O)(Cc3nncn3C)C2)nc2ccccc21 1553745363 OEXZWTFWRPBXKO-LJQANCHMSA-N 368.441 1.119 0 40 FDAB CC(C)C[C@H](C(=O)NCC1(O)CCCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 72283848 QANUXWVKCLXFFD-HRCADAONSA-N 362.470 1.774 0 40 FDAB Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)ccc21 980770 BIVUMHXAGLRMSK-XNTDXEJSSA-N 362.389 1.970 0 40 FDAB Cc1ccc2nc(COC(=O)Cn3c(=O)oc4ccccc43)cc(=O)n2c1 5195525 XHMVSAYAJFHSCX-UHFFFAOYSA-N 365.345 1.654 0 40 FDAB Cn1ccc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)n1 12086094 SIYGMGPJQCTRPO-UHYGZKCKSA-N 351.410 1.454 0 40 FDAB COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1 12338890 SOQZTDUGDJRDCT-ZROIWOOFSA-N 367.361 1.893 0 40 FDAB Cc1cnc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cn1 13227795 SDLCKKLRRPPAQG-UHFFFAOYSA-N 359.393 1.862 0 40 FDAB Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)ncc1C(N)=O 19753382 OZOOGUWACKCYRF-UHFFFAOYSA-N 354.410 1.669 0 40 FDAB COc1ccccc1N1CCN(CCNC(=O)NC[C@H]2CCCO2)CC1 225551737 YDVQAWQSPBETSY-MRXNPFEDSA-N 362.474 1.295 0 40 FDAB O=C(COc1ccc(F)cc1)NCCNC(=O)COc1ccc(F)cc1 6941355 FDGKUIAIZCBMIV-UHFFFAOYSA-N 364.348 1.655 0 40 FDAB O=C([C@@H]1CCCCO1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888867024 ZZYRESOXURIDJJ-ZFWWWQNUSA-N 371.441 1.798 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)NC[C@H]5CCCO5)C[C@H]4C3)n1)CCC2 1888876509 SCSQEISGBGBAMG-BZUAXINKSA-N 371.485 1.530 0 40 FDAB COCCn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888922048 AWRVFEMIDXUEBC-NSHDSACASA-N 361.423 1.598 0 40 FDAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 252478106 ADSFXXCFSSJCNE-CQSZACIVSA-N 365.430 1.894 0 40 FDAB O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374499 BBPPOMOKEIQCAL-GFCCVEGCSA-N 357.366 1.656 0 40 FDAB Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 4503839 ZMMYGIVMXJTMLT-UHFFFAOYSA-N 370.390 1.857 0 40 FDAB COC(=O)CSc1ncc2c(n1)-c1ccccc1N(C)S2(=O)=O 7007151 UIZDBSNTFNXSDX-UHFFFAOYSA-N 351.409 1.547 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NCC(=O)N1CCCC1)CC2 2055734767 UFJIZZXIBMKPAM-ZDUSSCGKSA-N 372.425 1.267 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N2CC(Oc3nccs3)C2)cc1 208031622 VBRCIORHUGLCOE-UHFFFAOYSA-N 366.464 1.769 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCC1(Sc2ccccc2)CCOCC1 211071033 BCKSEPWQNDVJKQ-UHFFFAOYSA-N 362.451 1.593 0 40 FDAB COC(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)cc1 585150415 WPNSAOIJRXJAIV-OAHLLOKOSA-N 354.410 1.617 0 40 FDAB CSCC[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 2637978 MRPCUMZANFXBRB-VIFPVBQESA-N 367.832 1.523 0 40 FDAB O=C(Cc1noc2ccccc12)NCCNc1cc(-n2cccn2)ncn1 36705470 LSHNXLHKFNGZFJ-UHFFFAOYSA-N 363.381 1.574 0 40 FDAB COc1ccc(C(=O)N[C@@H](C(=O)NCCCn2cccn2)C(C)C)cc1 30170955 SNLOIXDNATYCDE-QGZVFWFLSA-N 358.442 1.853 0 40 FDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12 100062353 DFWUNJMYQLNCAH-DTWKUNHWSA-N 356.165 1.374 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NCCc3ccccc3)n2)no1 40268265 NNADLPNWKKSCOX-UHFFFAOYSA-N 355.354 1.520 0 40 FDAB COc1ccc(CN(CCN2CCOCC2)C(=O)N(C)C)cc1OC 20589164 AORANQGGUMFYBA-UHFFFAOYSA-N 351.447 1.520 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 20717868 QNRDCNGBIDMIHK-CQSZACIVSA-N 363.845 1.412 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1OC 45896156 ZDNQWPCMXPJYGQ-LBPRGKRZSA-N 361.358 1.161 0 40 FDAB CN(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 32216233 SEALBIVLYZTAID-GOSISDBHSA-N 365.437 1.601 0 40 FDAB Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)n1 932397 JERLQEDQERAFNO-UHFFFAOYSA-N 370.394 1.825 0 40 FDAB CCOC(=O)COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1OCC 2488661 YXLYRWBDRGRGSP-NHYWBVRUSA-N 355.412 1.815 0 40 FDAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3354359 YODGXJHLWGLZCZ-UHFFFAOYSA-N 367.515 1.933 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)C2 102226737 NUXSTKVWFSCXGJ-IYOUNJFTSA-N 363.483 1.815 0 40 FDAB C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102240349 ZDHXUJYYGYYSKM-MCIONIFRSA-N 366.421 1.561 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100394244 LHGJBCACLIKDFZ-SCMJLYPYSA-N 365.385 1.848 0 40 FDAB COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N(C)C)nn2)cc1 8297569 BTXBVZGJIVWUEX-NUJGCVRESA-N 369.469 1.752 0 40 FDAB biogenic,in-vitro COC(=O)CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8429731 KYZRRTPRQHUMQS-UHFFFAOYSA-N 351.362 1.679 0 40 FDAB CCN(CCNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccc1C 46992328 GMMRGEQKFGWAOB-OAHLLOKOSA-N 370.540 1.858 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1c[nH]c2ccccc12 102801205 IIVVPSZOLLEAEA-HOTGVXAUSA-N 351.406 1.778 0 40 FDAB Cc1cccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)c1C 10450083 BSYPVJCOVNWZKQ-UHFFFAOYSA-N 367.515 1.672 0 40 FDAB COc1cc(CCC(=O)NCCCN2CCCC2=O)cc(OC)c1OC 22626043 PYTIEXWEZGDQLG-UHFFFAOYSA-N 364.442 1.774 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)NCC(C)(C)N2CCOCC2)cc1 23640838 SLUYFABMPKRXCJ-UHFFFAOYSA-N 365.499 1.964 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2ccc3c(c2)CCO3)c1=O 24111409 WVWWWBIJITUQHD-UHFFFAOYSA-N 366.295 1.784 0 40 FDAB OCc1nnn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1CO 1384440 UHTHHPLOXXWLDE-UHFFFAOYSA-N 351.288 1.728 0 40 FDAB Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 23613477 CIVYIAYGEOATBG-UHFFFAOYSA-N 358.419 1.846 0 40 FDAB Cc1ccc(NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 1414402 BTGUVOFGDLJGFK-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)[C@@H](C)C(=O)[C@H](C)[C@@H]13 105368499 VEGDJTLZYKPHPF-SZZBVEMDSA-N 371.389 1.499 0 40 FDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 57178365 SMTGPBCQWATPCX-GXTWGEPZSA-N 355.435 1.138 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 57568616 DWDXFTYYSDPKFL-CQSZACIVSA-N 367.409 1.630 0 40 FDAB CCC[C@@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26842851 MUSPBSHVSWLGRV-MRXNPFEDSA-N 361.486 1.880 0 40 FDAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)NCc1ccccc1 3306126 UUHMNHJFWHLALR-UHFFFAOYSA-N 351.366 1.200 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)cn1 58167257 XDXDHVFMBBCOFB-UHFFFAOYSA-N 355.441 1.631 0 40 FDAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 20045352 KUVNWXFYGQTTLP-CYBMUJFWSA-N 368.459 1.102 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)NCCc1ccc2c(c1)OCCO2 12746008 QXOXJWCTKZBWNW-UHFFFAOYSA-N 361.419 1.834 0 40 FDAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 10644422 MZSKAYNNTYEUAT-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 8315446 AOLZENFUVLPIPW-UHFFFAOYSA-N 364.398 1.940 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(O)cc2)cc1 45527636 ZLDRBJHYNQLXTQ-UHFFFAOYSA-N 363.439 1.642 0 40 FDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccsc2C(=O)O)no1 12916269 CSNMJXVTBIWSIH-UHFFFAOYSA-N 359.385 1.002 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cccc(C)c3)C2=O)C1 5024152 IMVHFCYIPZXMBP-GOSISDBHSA-N 357.366 1.168 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 39535845 VYLIZAQWSOGILJ-KGLIPLIRSA-N 350.440 1.298 0 40 FDAB COC(=O)Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 5120128 PFEIJEKNBRJHKD-UHFFFAOYSA-N 364.375 1.941 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 5230246 DCBQAZWPAGCJPR-QMMMGPOBSA-N 370.283 1.997 0 40 FDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1cccc(Cl)c1)CN=2 5451791 YSIPSECRDFOLQA-DHDCSXOGSA-N 356.838 1.842 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@@H](CO)C2)c1 5693038 DPRGTTQQAPRWIJ-GFCCVEGCSA-N 357.501 1.338 0 40 FDAB CCOC(=O)C1=C(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)NC(=O)NC1 18255718 IUYDMEQEONVWIS-FOSCPWQOSA-N 364.398 1.055 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 8894340 CLJUUJOXOWYFJZ-FQEVSTJZSA-N 364.357 1.992 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCOC 15971612 XOBRWAABCIUILE-XJKSGUPXSA-N 373.457 1.743 0 40 FDAB COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl 16751153 AWIFNJGLEWICPD-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB O=C1c2ccccc2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn12 9332483 YXBIJOUSRIQGRO-UHFFFAOYSA-N 357.329 1.885 0 40 FDAB CC1(C)CC(=O)c2cnc(NC(=O)CSc3nnc(N)s3)nc2C1 20633859 ZOEPWCAXTLMYDR-UHFFFAOYSA-N 364.456 1.796 0 40 FDAB Cn1nc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c2ccccc2c1=O 72403718 RGIMGDIIRYHVHA-LLVKDONJSA-N 357.395 1.889 0 40 FDAB COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H](CCO)c1ccccc1 95461413 HFPUORYPFRENON-ZDUSSCGKSA-N 359.382 1.288 0 40 FDAB Cc1nn(CC(C)C)c(Cl)c1CNc1cnn(CC(=O)NCCO)c1 95455344 LESBEQVHEPMSBB-UHFFFAOYSA-N 368.869 1.418 0 40 FDAB CNCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1 95996594 OOTIYEBKXCGDHN-UHFFFAOYSA-N 363.281 1.046 0 40 FDAB O=C(NCc1ccccc1)c1cc(NC[C@H]2CCS(=O)(=O)C2)ccn1 95958633 QTAOQEQXNNKTHP-OAHLLOKOSA-N 359.451 1.858 0 40 FDAB COCCN(CCOC)C(=O)c1nc([C@H]2CCCN2C)n2ccccc12 306137640 RCARBWNMWVEWGN-MRXNPFEDSA-N 360.458 1.836 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cc[nH]n1)C2 306141520 VZADVGPDXDZYCA-HNNXBMFYSA-N 355.442 1.558 0 40 FDAB Cn1nccc1S(=O)(=O)NC[C@@H](Cc1cccc(Cl)c1)C(=O)O 547556751 CRYLRFHMCQSQEU-LLVKDONJSA-N 357.819 1.295 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(=O)NCN1CCOCC1 31297717 DDDQVDIPBFGVIG-UHFFFAOYSA-N 355.822 1.613 0 40 FDAB in-man O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306143402 YBNNLUUJBNTOQX-CABCVRRESA-N 358.467 1.496 0 40 FDAB COc1cc([C@H]2C3=C(COC3=O)Nc3cn(C)nc32)c(OC)c2c1OCO2 35326513 XBXQHRLYTXSVHU-LBPRGKRZSA-N 371.349 1.534 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)COCc2ccccc2)C1 1320133 RNQFBQHVXRAHLH-GBESFXJTSA-N 354.450 1.845 0 40 FDAB biogenic COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2nc3ccccc3n2C)cc1 77261914 YQDBFTYYFIUICK-ZQYQINFJSA-N 367.449 1.949 0 40 FDAB biogenic,in-vitro Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72360301 ANTVYZGULCWESI-ZDUSSCGKSA-N 363.447 1.262 0 40 FDAB COC[C@]1(NC(=O)c2ccnc3c2nnn3C)COc2ccccc2C1 529956622 FBQJJFYRRSRFCQ-SFHVURJKSA-N 353.382 1.113 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1 74054113 GQLPMAGNUSWYEZ-GFCCVEGCSA-N 366.468 1.815 0 40 FDAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCC(=O)N1CCCC1 42119143 AJKNTVKOSOGQKD-UHFFFAOYSA-N 374.224 1.471 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC 218022756 BDJDHCSBAQMAGF-UONOGXRCSA-N 354.424 1.700 0 40 FDAB CSc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 225645132 PEIGSXUTKYODGI-DTORHVGOSA-N 352.441 1.540 0 40 FDAB COc1nn(C)cc1C(=O)NC[C@@H](c1cn(C)c2ccccc12)N(C)C 75149166 BHBQLDUHGKIHTM-KRWDZBQOSA-N 355.442 1.953 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(CCC3(O)CCC3)CC2)cc1 570906574 HGSOMOZTIPODPC-UHFFFAOYSA-N 368.499 1.697 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)Nc3cc(C4(C)CCCC4)on3)C[C@H]2CO)cn1 571024618 VUXVWQDJXYSHMF-GJZGRUSLSA-N 373.457 2.480 0 40 FDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96207567 LIPKTJUSOHNQRV-APWZRJJASA-N 354.410 1.852 0 40 FDAB Fc1cnc(N2CCO[C@]3(COCCN(Cc4cccnc4)C3)C2)nc1 96229427 CKVSGDXHJYWXHV-SFHVURJKSA-N 359.405 1.119 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cccnc3)C2=O)cc1 96231385 HFRCQFSEQDCVQM-INIZCTEOSA-N 368.393 1.930 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1S(C)(=O)=O 96206552 JOSLJSWJNCLBGF-AWEZNQCLSA-N 356.444 1.182 0 40 FDAB O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96078258 KDAMVNIQPWAXLN-UHFFFAOYSA-N 353.426 1.631 0 40 FDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257274951 NNJLESHIBGBTGV-LBPRGKRZSA-N 350.448 1.079 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 252516020 PHHKHNDRWBZAAR-ZACQAIPSSA-N 366.870 1.945 0 40 FDAB Cc1ccc(C(C)(C)C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)cc1 257275016 NNPOYEQYIYLSBG-HXUWFJFHSA-N 354.454 1.820 0 40 FDAB Oc1cc(CC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 257304376 SLISKHBWUMKXKZ-MRXNPFEDSA-N 357.410 1.787 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCN1c1ncccn1 618255929 APZVMVAZRSLHCR-AWEZNQCLSA-N 350.419 1.871 0 40 FDAB C[C@H](NC(=O)[C@H](C)N1CCC[C@H](S(N)(=O)=O)C1)[C@H]1C[C@H]2CC[C@H]1C2 374929375 LBJDACLGLFEPLR-OJFNHCPVSA-N 357.520 1.069 0 40 FDAB Cn1cc(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)nc1=O 616075003 IVTYEBGPFDMDGQ-OAHLLOKOSA-N 372.208 1.430 0 40 FDAB CC(C)c1ncc2c(n1)CCN(C(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1)C2 630672636 LFCJRXWELNRGAZ-HZPDHXFCSA-N 358.442 1.565 0 40 FDAB COc1cccc2c1[C@@H](C(=O)N1CCN(CC(F)(F)CO)CC1)CC2 636133308 OWEHYKCHBMHBOJ-AWEZNQCLSA-N 354.397 1.497 0 40 FDAB O=C(O)[C@H]1CC(=O)N(C2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 650774674 BVPOEHKMFNUCQD-ZETCQYMHSA-N 364.349 1.459 0 40 FDAB CCc1nccn1[C@@H]1CCCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 654639459 TXMKSMQVLIIGIS-KGLIPLIRSA-N 373.461 1.962 0 40 FDAB O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)C1CCN(C(=O)N2CCCC2)CC1 659245663 JSQKFCPFMPHXIB-FXUDXRNXSA-N 363.458 1.530 0 40 FDAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(CC(=O)O)cs2)C1 675945628 WUKNRPMIKQYZAY-GHMZBOCLSA-N 353.444 1.993 0 40 FDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cn(C)cn1 684320607 AATPMRQVEQTQPC-STQMWFEESA-N 351.451 1.870 0 40 FDAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)Nc1ccc2c(c1)OCO2 90610650 GEBYIBNKZFZCAU-AWEZNQCLSA-N 370.361 1.139 0 40 FDAB Cn1ccnc1COc1ccc(CN2CCC[C@]2(C)C(=O)NCCO)cc1 585270755 QBNPJTNSGWZHKW-HXUWFJFHSA-N 372.469 1.462 0 40 FDAB CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@H]2CCC[C@@H](C)O2)CC1 661071337 HGCGIFPJJRCXEH-UKRRQHHQSA-N 361.508 1.446 0 40 FDAB Cc1nc(C(=O)N2CCC[C@]3(CCN3CC(=O)N3CCCC3)C2)cs1 585101893 KLUPZLONFQETSD-SFHVURJKSA-N 362.499 1.754 0 40 FDAB CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 89984944 OULLXLKXHLQRLO-HOCLYGCPSA-N 366.531 1.979 0 40 FDAB COC(=O)C1=C(C(=O)OC)[C@]2(OC(C)=O)C=C(OC(C)=O)[C@H]1C(C)(C)C2 5052635 SYWZUHNZDYUYCY-ACJLOTCBSA-N 366.366 1.438 0 40 FDAB Cc1nc2nc(NC(=O)C(C)C)[nH]c(=O)c2nc1[C@H](C)OC(=O)C(C)C 5440881 WZCINPNGMCBGDV-JTQLQIEISA-N 361.402 1.876 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 19373682 DAETVWNENJJDRF-HNNXBMFYSA-N 372.406 1.894 0 40 FDAB CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19521857 CTNYPCOEYBICIB-LLVKDONJSA-N 359.455 1.623 0 40 FDAB COc1ccc(Cc2nnc(NC(=O)Cn3ccnc3)s2)cc1OC 19561290 UVUKGDXMKGYZOA-UHFFFAOYSA-N 359.411 1.981 0 40 FDAB CCn1c(CN2CCC(C(N)=O)(N3CCOCC3)CC2)nc2ccccc21 19659103 PNIXNTGVHHIUCU-UHFFFAOYSA-N 371.485 1.208 0 40 FDAB CC1(C)C[C@H]1C(=O)N/C(=C/CCCCSC[C@@H](N)C(=O)O)C(=O)O 1530663 DHSUYTOATWAVLW-GNAUDSRASA-N 358.460 1.433 0 40 FDAB C[C@@H]1OCCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H]1C(F)(F)F 606444684 FDSWMLCPLIYBPP-UFBFGSQYSA-N 356.300 1.704 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN2C(=O)CC[C@H]2C1)N1Cc2ccccc2C1=O 613158865 IBFMDUSPVSZUAF-YJBOKZPZSA-N 355.438 1.500 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)N4CCCCCC4)C[C@H]3C2)n1 1888864066 FRKJHKGCHGYFMP-IYBDPMFKSA-N 365.503 1.274 0 40 FDAB c1ccc(-c2ccnc(N3CCN(c4ncnc5[nH]cnc45)CC3)n2)nc1 2087064913 YNYMGFXALZTXFU-UHFFFAOYSA-N 359.397 1.532 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 1565549460 XIFCUIFCIPHWGB-FXAWDEMLSA-N 359.470 1.180 0 40 FDAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)o1 1565545319 FLAXACQWFKTZMM-INIZCTEOSA-N 352.410 1.716 0 40 FDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4c(F)cccc4Cl)C(=O)[C@H]13)O2 4593307 IXXNRJWKESXNRA-XJIUQZFPSA-N 351.761 1.934 0 40 FDAB O=C(NCc1ccco1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342482 QQIJQZNEJSQXNU-UHFFFAOYSA-N 353.378 1.760 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(C(F)(F)F)nc1 585150459 LXGQYZUSVIHFSE-UHFFFAOYSA-N 352.316 1.576 0 40 FDAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(N3CCNC(=O)C3)nc1)C2 40089071 RWLBWVHXHKLOEA-MRXNPFEDSA-N 368.462 1.982 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4)[C@@H]3C2=O)cc1 100033394 FXBHPJHQRJRUDG-IRXDYDNUSA-N 363.377 1.927 0 40 FDAB Cc1ccc(C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)o1 50954224 JUGZXMDPKXBENY-UHFFFAOYSA-N 352.398 1.963 0 40 FDAB CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 32096354 RPHCQLMGHSLWAP-GJZGRUSLSA-N 367.471 1.526 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)ccc1N1CCOCC1 32747832 PHCBCAKRPANUDR-UHFFFAOYSA-N 365.817 1.654 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccccc1CN1CCCC1 52399814 WPUVCYXSNPPAHF-INIZCTEOSA-N 364.515 1.689 0 40 FDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)/N=c1/sccn1C)C2=O 102450785 PQPIEMSZVFXYAJ-DLAALKNFSA-N 364.471 1.651 0 40 FDAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6746544 OPULRSDWZHICRR-CQSZACIVSA-N 372.462 1.769 0 40 FDAB COC(=O)Cc1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1 7235339 JLDTVCXWEZBDON-UHFFFAOYSA-N 367.456 1.595 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8222091 YJZBMGFWYKGRIU-CZUORRHYSA-N 370.405 1.968 0 40 FDAB CCOC(=O)C1=C(CSc2ncnc3ccsc23)NC(=O)NC1 9385213 AVLHFDJDMDAIAN-UHFFFAOYSA-N 350.425 1.913 0 40 FDAB Cc1cc(N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)nc(C(C)C)n1 24219174 FUNAUGVWTUQNEF-UHFFFAOYSA-N 361.490 1.719 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 24689762 MZVAYWVQGXFPEY-NSHDSACASA-N 362.854 1.952 0 40 FDAB COc1ccc(Br)cc1CC1C(=O)N(C)C(=O)N(C)C1=O 1438730 AMFYAPSDORFIRU-UHFFFAOYSA-N 355.188 1.667 0 40 FDAB NS(=O)(=O)c1ccc(NNC(=S)NCCc2ccccc2)cc1 3258753 SBNKDURTGFKHKO-UHFFFAOYSA-N 350.469 1.368 0 40 FDAB COCCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426625 WUUBISVMIMSTCR-UHFFFAOYSA-N 367.471 1.424 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)cc1 57985700 AFFSLAWJSWSHPS-UHFFFAOYSA-N 357.391 1.627 0 40 FDAB COc1ccccc1COC[C@@H](O)CN1CCN(C[C@H]2CCCO2)CC1 57941826 ANUUSDAMJBBMOF-RBUKOAKNSA-N 364.486 1.369 0 40 FDAB CCNC(=O)NC(=O)CN1CCO[C@H](c2cccc(Br)c2)C1 58175820 ZCADRVXOZKAMMU-ZDUSSCGKSA-N 370.247 1.668 0 40 FDAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58186420 PDQUVILYBRVVNA-GFCCVEGCSA-N 350.444 1.442 0 40 FDAB Cc1cccc(NC(=O)CCNS(=O)(=O)N(C)C2CCCCC2)n1 58174405 WFXKLCBYRRBGAR-UHFFFAOYSA-N 354.476 1.818 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)CC[C@H]3CCCO3)ccc2c1=O 58184716 IDKPPSKNJLOKOF-GXTWGEPZSA-N 359.426 1.787 0 40 FDAB CCC(=O)N1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccncc3)CC2)C1 58214437 RYKQJRGWHNYHMP-INIZCTEOSA-N 372.469 1.451 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(N2CCCC2=O)c1 48263084 REFMOQUFHHSRTD-CYBMUJFWSA-N 355.394 1.841 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCc1ccccn1 28643541 ZRXLGVZRWNDSAB-UHFFFAOYSA-N 359.451 1.803 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cc(C)nn1C 36621349 PNLXVVCDJNWELH-SNVBAGLBSA-N 356.308 1.714 0 40 FDAB COCC(=O)NC1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 48341854 FSLOEMDWYWEPOS-UHFFFAOYSA-N 353.806 1.432 0 40 FDAB CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 3530752 ZNZGSHMKSDHSCU-CQSZACIVSA-N 353.440 1.444 0 40 FDAB C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 12972770 JPZOTAGJHLAQIN-LBPRGKRZSA-N 352.394 1.166 0 40 FDAB NS(=O)(=O)c1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647913 LWWMHQGGNDPHDB-CYBMUJFWSA-N 363.420 1.972 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 13007100 QUBZWLZDMXUHJW-NEPJUHHUSA-N 368.411 1.248 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)N2CCCC2=O)C(C)C)cc1 39641178 JBHIVNHYDPUATN-QGZVFWFLSA-N 360.410 1.442 0 40 FDAB NC(=O)CN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 14114202 CNSRIKUCUCHBFU-UHFFFAOYSA-N 371.462 1.987 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 14140222 QHQHCDCFSYGDQP-UHFFFAOYSA-N 362.407 1.281 0 40 FDAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1 4511628 OKEDIVAZOKHMQZ-UHFFFAOYSA-N 357.395 1.475 0 40 FDAB CCOC(=O)Nc1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 8704518 CMBDKSNEFMWRPE-UHFFFAOYSA-N 360.370 1.069 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 5452072 ONVLITULPMCVBO-UHFFFAOYSA-N 361.383 1.480 0 40 FDAB Cc1cccc2nc(CSc3nnnn3C[C@H]3CCCO3)cc(=O)n12 8749917 IANPLVZMQSAFCK-CYBMUJFWSA-N 358.427 1.461 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 6679563 BHCWZAVILGFGPE-UHFFFAOYSA-N 351.334 1.679 0 40 FDAB Cc1cnn(CCCNC(=O)c2c(I)cnn2C)c1 26533419 ORPKGRLDOIZJHJ-UHFFFAOYSA-N 373.198 1.350 0 40 FDAB Cn1cc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cn1 15639067 GMJWMBIHFOGLKT-XVJNWHFHSA-N 354.410 1.981 0 40 FDAB COCCn1nc(C(=O)NCc2ccccc2Cn2cccn2)ccc1=O 9313811 PERYPTAPVQXYGF-UHFFFAOYSA-N 367.409 1.065 0 40 FDAB COc1ccc(OCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 7815243 AKLIZWPPNIEDKR-UHFFFAOYSA-N 354.362 1.486 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NCCO)c1C 9162809 HQIYRBUPCFEAAH-UHFFFAOYSA-N 374.393 1.862 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1 9647937 OPNMMEAVRNTVTC-UHFFFAOYSA-N 358.398 1.284 0 40 FDAB CCNS(=O)(=O)c1ccc(CC(=O)OCCn2nc(C)cc2C)cc1 97135157 QNDNQKBORXPZMZ-UHFFFAOYSA-N 365.455 1.584 0 40 FDAB COCCCNC(=O)CN(C)C(=O)c1ccc(CN2CCCCC2)s1 72301645 SUIKNEISADMBDW-UHFFFAOYSA-N 367.515 1.959 0 40 FDAB CCc1cc2c(N3CCO[C@@H](CN4CCN(C)CC4)C3)ncnc2s1 95393106 QSOSUKBYGNCFKQ-AWEZNQCLSA-N 361.515 1.706 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCN(CCCn2ccnc2)CC1 95462339 AWWBAHOLOARXFK-UHFFFAOYSA-N 352.435 1.419 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cnn(C)c1)C=C2 95477948 RDFARECWKFMHFT-UHFFFAOYSA-N 356.382 1.431 0 40 FDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408710081 NXEQYPDZNFSDBL-UHFFFAOYSA-N 369.421 1.626 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCn1cncn1 512575168 WLZRBHCYFJKMTF-KBPBESRZSA-N 350.398 1.002 0 40 FDAB CC[C@H](C)N1CC(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080532 YONZRQHFSYOERQ-VBNZEHGJSA-N 352.456 1.308 0 40 FDAB CCOC(=O)C1CCN(C(=O)COc2cc(OC)cc(OC)c2)CC1 218889554 OFNRUKSAYISXQF-UHFFFAOYSA-N 351.399 1.884 0 40 FDAB CN(C)CCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224334743 NGIMLRLHNXXLCN-UHFFFAOYSA-N 363.430 1.189 0 40 FDAB C[C@H](C(=O)NCCCN(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224410538 VQANQCWQPVWSRT-LLVKDONJSA-N 363.430 1.187 0 40 FDAB Cn1nc(N2CCC[C@@H](C(=O)NCc3nc4ccccc4[nH]3)C2)ccc1=O 85470893 LXWHSDRNRPCFLC-CYBMUJFWSA-N 366.425 1.189 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2nccs2)cc1F 226746398 VWMGCYHAQKCSJV-UHFFFAOYSA-N 359.404 1.550 0 40 FDAB Cc1cccc2c1CN(C(=O)Nc1cnc(N3CCNCC3)nc1)CC2 333402355 YWFAXCMHXPXYLC-UHFFFAOYSA-N 352.442 1.785 0 40 FDAB CC(C)NC(=O)c1cn(-c2nc(CN3CCOCC3)c3ccccn23)cn1 96267060 RJJJJKRAOCYDHU-UHFFFAOYSA-N 368.441 1.490 0 40 FDAB COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 96116167 CTYPHNSXZONELI-LBPRGKRZSA-N 368.345 1.824 0 40 FDAB biogenic COc1ncccc1C(=O)N1CCc2cnn(C)c2[C@@H]1COCC1CC1 96044513 BOLCDKYZLHUOGY-INIZCTEOSA-N 356.426 1.990 0 40 FDAB COC(=O)COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OC 95476535 TXOUBUWQRNBNLR-GFCCVEGCSA-N 373.361 1.685 0 40 FDAB CN(C)C(=O)CO[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247984176 KEULHZYMPPFQCY-MRXNPFEDSA-N 372.425 1.101 0 40 FDAB Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)o1 248120098 UVGZUIXWZUAXOA-RBUKOAKNSA-N 350.459 1.670 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCOC[C@H](Cc3ccncn3)C2)n1 257241072 HWLZXYJXDLTPNR-CQSZACIVSA-N 359.430 1.633 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H](Cc3cncc(-c4nccn4C)n3)C2)n1 257238850 HMTYJKNUAGNCGV-CYBMUJFWSA-N 351.414 1.315 0 40 FDAB Cn1cc(C(=O)N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)cn1 257199649 AAGJGLJFRYHLND-UHFFFAOYSA-N 365.441 1.706 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cn2cccc(C)c2n1 264600808 DMTIODWQZCSFER-OAHLLOKOSA-N 364.471 1.463 0 40 FDAB Cc1noc([C@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@@H](C)O2)n1 625910153 UIHALCHURHMATN-IUODEOHRSA-N 355.398 1.656 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575405696 UFNGKSDWSWPDLU-LBPRGKRZSA-N 355.398 1.141 0 40 FDAB C[C@@H]1CCCN(C[C@@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C1 585104829 UAELPUBIUXSCRY-CVEARBPZSA-N 361.490 1.558 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cc(C)on2)Cc2cccn2C1 585095402 PVDIZKUDNAXTIA-HNNXBMFYSA-N 366.487 1.746 0 40 FDAB O=C(NCCc1nc[nH]n1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 585110282 NXGUZVOLTSGHPE-YPMHNXCESA-N 366.219 1.399 0 40 FDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)c1 585095790 KZSSETAIWRIGSJ-KRWDZBQOSA-N 369.425 1.728 0 40 FDAB CC(=O)Nc1nc([C@@H]2CCCCN2CC(=O)Nc2nonc2C)cs1 585270728 AFDBNKMTZQQGBU-LBPRGKRZSA-N 364.431 1.959 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2nccnc2N)cs1 504535929 JSFURWLVSOSRJH-JQWIXIFHSA-N 350.423 1.166 0 40 FDAB CCCNC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12087115 HLASBRVFVWDVQA-FQEVSTJZSA-N 373.453 1.429 0 40 FDAB O=C(c1cnn2cccnc12)N1CCc2nc3ccccc3c(=O)n2CC1 12184006 QAYCBBDTKBOQNJ-UHFFFAOYSA-N 360.377 1.138 0 40 FDAB COc1ccc(-c2cc3nc(CCNC(=O)CN(C)C)nn3cn2)cc1 12325463 RBGYNOSRGBHITC-UHFFFAOYSA-N 354.414 1.020 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnnn1-c1ccccc1 12545567 NIVVSFJPZSPLPN-GFCCVEGCSA-N 370.438 1.261 0 40 FDAB Cc1nc([C@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)N(C)C 19753708 AAVUAUHGBRPFBV-MRXNPFEDSA-N 359.474 1.636 0 40 FDAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)c1ccccc1 6465892 OEADXUJMIQJKMV-ATVHPVEESA-N 366.373 1.663 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 226318332 AHYRDRQSEGNFOI-OLZOCXBDSA-N 366.439 1.687 0 40 FDAB COC(=O)[C@H](C[C@@H](OC)c1c(O)cc2cc(C)oc(=O)c2c1O)OC 31168784 TWSUSRQZTZUYSD-NEPJUHHUSA-N 352.339 1.778 0 40 FDAB biogenic,in-vitro Cc1cc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)no1 1888869402 IISXUIJQHCMSPG-CALCHBBNSA-N 361.467 1.877 0 40 FDAB O=C(Nc1nccs1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 1889179554 YRNVYMSUPJLOGE-UHFFFAOYSA-N 360.443 1.666 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1 24573751 CFOSJBHCPKSQGG-UHFFFAOYSA-N 354.410 1.873 0 40 FDAB O=C(CCc1ccc[nH]1)N1C[C@H]2OCCN(C(=O)c3ccccc3)C[C@H]2C1 1565553725 CJFXSVHZFXJEGU-PKOBYXMFSA-N 367.449 1.947 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(COCCN(Cc3cccnc3)C2)CC1=O 1565543002 WTZJNTPHSGSWBS-HXUWFJFHSA-N 370.453 1.938 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)[C@@]1(C)CC=CCC1)C2 1565546480 CTTQEBIJVGVPDI-XOBRGWDASA-N 374.485 1.862 0 40 FDAB COc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC 10255661 QDWQBQGJDBDRMV-AWEZNQCLSA-N 356.378 1.769 0 40 FDAB O=C(NC1CCCC1)c1noc2c1C[C@@H](NC(=O)C1CCOCC1)CC2 2055746197 YSSHZUAKUBVPGX-AWEZNQCLSA-N 361.442 1.747 0 40 FDAB Cc1ccsc1S(=O)(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055730261 RWRUYSUUNZJXTR-NSHDSACASA-N 355.485 1.942 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3cccnc3)CC2)[nH]1 2055746322 OOCLISZQTQKFPM-UHFFFAOYSA-N 368.485 1.306 0 40 FDAB COc1ccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)cc1 21718338 TUSFYZYFTJXADO-UHFFFAOYSA-N 353.382 1.417 0 40 FDAB COC(=O)CS[C@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 217557348 BMKVQCQGBMRNDF-ZDUSSCGKSA-N 371.480 1.358 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2nccnc2-c2cnn(C)c2)cc1 575619160 HWQPCYLLIAHEIO-UHFFFAOYSA-N 351.366 1.594 0 40 FDAB O=S1(=O)CC[C@@H](NCCn2cncc2-c2ccc3c(c2)CCCO3)C1 19720004 RFBSMULGJJIUDD-MRXNPFEDSA-N 361.467 1.652 0 40 FDAB CN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1 30030011 QATVTYSKNRVEMY-SFHVURJKSA-N 352.438 1.984 0 40 FDAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3C(=O)c4ccccc4C3=O)n21 40114174 JHZUSDJKLNLIBI-UHFFFAOYSA-N 373.372 1.686 0 40 FDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1c(Cl)nc2ccccn12 40156614 MKJUWNFJUGFMNF-UHFFFAOYSA-N 359.835 1.950 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc(=O)[nH]c1C 31618129 LBTNYQWDORZWCE-MWLCHTKSSA-N 353.444 1.652 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1cccnc1 31817374 XFZZQQDBXRHYOZ-GOEBONIOSA-N 366.421 1.256 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)NC2CCC3(CC2)OCCO3)cc1 46074062 YTFLVKDAPNMQTR-UHFFFAOYSA-N 361.442 1.873 0 40 FDAB CC1CCN(Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 32769518 OOQGNNDRCNYSME-SFHVURJKSA-N 364.511 1.969 0 40 FDAB CCn1ncc(Cn2cc(NC(=O)c3nc4ncccn4n3)cn2)c1C 2808957 QHAHMYMMIDYMQW-UHFFFAOYSA-N 351.374 1.146 0 40 FDAB CCOc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093781 WHHIIMRGPWDFLO-UUAJXVIYSA-N 354.399 1.200 0 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Cc1nn(C)c(C)c1S(=O)(=O)NCC1(N2CCOCC2)CCCCC1 23653064 DVAHYMJGEMPFOL-UHFFFAOYSA-N 370.519 1.350 0 40 FDAB CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1 1267586 IMXUSHKRVFBHNO-UHFFFAOYSA-N 374.470 1.563 0 40 FDAB O=C(CN1CCCN(c2cccnn2)CC1)NCC1(c2ccccc2)CC1 106069767 MTURSHDRKMGCPQ-UHFFFAOYSA-N 365.481 1.837 0 40 FDAB C[C@H](CN1CCN(C)CC1)NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 106545437 VDEVCBUUDDICFE-OAHLLOKOSA-N 374.464 1.447 0 40 FDAB C[C@H]1Oc2c(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cccc2[C@H]1C 35307981 FLGMNZNRQOXBMC-JKSUJKDBSA-N 371.481 1.951 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(C)n3)C2=O)cc1 12544179 VGZAUGSHVPNOBM-LJQANCHMSA-N 368.393 1.804 0 40 FDAB C[C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)n1cncn1 57262032 PGSVRHITFRIHAA-RYUDHWBXSA-N 362.821 1.765 0 40 FDAB c1csc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)n1 107739669 XLCPJEUITFTDJD-DOTOQJQBSA-N 353.488 1.225 0 40 FDAB COCCn1cnnc1SCC(=O)NC(=O)Nc1ccccc1F 58166415 YLLCOPLFGBZNTF-UHFFFAOYSA-N 353.379 1.504 0 40 FDAB COc1ccc(CC[C@H](C)NC(=O)[C@@H](CCSC)NC(N)=O)cc1 58218443 HMERIOLYGIMOEL-SWLSCSKDSA-N 353.488 1.923 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccc2c(c1)OCO2 2334648 SUHRWBVGCSZXNG-CQSZACIVSA-N 370.361 1.290 0 40 FDAB O=C(CN1CCCN(C(=O)c2ccc(F)cc2)CC1)NCC(F)(F)F 12988519 HOGBZKGVWKXIBB-UHFFFAOYSA-N 361.339 1.652 0 40 FDAB CSc1nc(C)c(CCC(=O)NCC(C)(C)N2CCOCC2)c(C)n1 39984928 ZFLNCZCRRWEKBC-UHFFFAOYSA-N 366.531 1.975 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nnc2ccccc2c1=O 5242073 KGWDMSQHSKSFDQ-HNNXBMFYSA-N 351.366 1.480 0 40 FDAB O=C(Nc1cccc(Cl)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 8770345 IDTBXYNHJHKXCI-LBPRGKRZSA-N 369.830 1.444 0 40 FDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 5450143 TXJUWACSHGMDSO-LJQANCHMSA-N 373.409 1.585 0 40 FDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1Cl 15299019 IXTPRMSAAKPECZ-CYBMUJFWSA-N 362.854 1.604 0 40 FDAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1 71335293 WSKAUJLOZRANTE-GOSISDBHSA-N 373.501 1.997 0 40 FDAB CCN(C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)C1=CCCC1 7736054 MBYHWKJBVXDDRI-UHFFFAOYSA-N 355.394 1.894 0 40 FDAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 19856010 NFDQCRCVSWMOAU-KGLIPLIRSA-N 366.439 1.341 0 40 FDAB biogenic O=C(NC1CCC(O)CC1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 79075629 XOHWHFVWFPZDDK-HXSCFSKGSA-N 354.472 1.886 0 40 FDAB CC(C)[C@H](C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 79318668 QLHLGLHSXVDDBZ-ROUUACIJSA-N 364.511 1.758 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 306142459 WZQNIQCDWUDFPX-ARFHVFGLSA-N 358.467 1.723 0 40 FDAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C 32508621 WLDDFPBVPHHBPD-KGLIPLIRSA-N 367.496 1.388 0 40 FDAB O=C(CSc1nnc2ncccn12)N1CCN(Cc2ccccc2)CC1 35313142 LYRPIRBYBSHDJF-UHFFFAOYSA-N 368.466 1.561 0 40 FDAB CCOc1ccc(CNC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl 563067065 DABOFDBLGHMNFG-PHIMTYICSA-N 351.790 1.153 0 40 FDAB CCOC(=O)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)CCC4 40287949 VDWAKLXTCOLMEC-UHFFFAOYSA-N 364.452 1.879 0 40 FDAB Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)n1 40398331 GCACOZQEGQKMJI-UHFFFAOYSA-N 362.328 1.661 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4c(C)n[nH]c4C)nnc23)n1 225748417 JWHGBYYTMCZLPV-UHFFFAOYSA-N 352.358 1.358 0 40 FDAB CN1CCN(c2ccnc(C(=O)N3CCn4c3nc3ccccc34)c2)CC1 85558229 MEQNKMNITPSKGJ-UHFFFAOYSA-N 362.437 1.844 0 40 FDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 225958238 ZDIUUEOPTKJGCN-UHFFFAOYSA-N 367.471 1.072 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1 75158042 YREAPBNKHBTQCC-UHFFFAOYSA-N 368.890 1.851 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96205872 HQSRGKWOZJVXPF-CGTJXYLNSA-N 356.426 1.740 0 40 FDAB O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)N[C@@H]1CCCc2occc21 332805706 BWGLSMWJDPWKDG-SUYBPPKGSA-N 368.455 1.693 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1nccs1)C2 96060767 BETRBHKRDHGIEG-ZDUSSCGKSA-N 356.455 1.983 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(C)o1)C2 96050419 UXJNBVAPMKHNEI-LJQANCHMSA-N 371.441 1.161 0 40 FDAB CC(C)CCC(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244212 NUBLRPWYPZKXQK-HXUWFJFHSA-N 374.485 1.750 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3c(C)noc3C)CC2)O1 96080136 UHKPAZASQXHDRQ-HNNXBMFYSA-N 359.430 1.124 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3ccccc3Cl)C2)CN1CC1CC1 247951841 MFCUSEAMCVUSNV-QGZVFWFLSA-N 363.889 1.751 0 40 FDAB Cc1csc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)n1 247947772 IUSJRYKYSCJGNU-OAHLLOKOSA-N 365.499 1.824 0 40 FDAB O[C@H]1C[C@@]2(CCC[C@H](n3cc(-c4ccccc4)nn3)[C@H]2O)COC[C@H]1O 247745919 QRYIRNODMXUFBU-QTMHVTGLSA-N 359.426 1.160 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H]1O 257203641 AQZGNBDORIIXPM-BZUAXINKSA-N 353.419 1.716 0 40 FDAB CC(=O)NC1(CC(=O)N2CCC[C@](O)(CN(C)C)CC2)CCCCC1 257333556 YCBBPPFMHRCBGZ-LJQANCHMSA-N 353.507 1.521 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)NCC3CCOCC3)nc(C)n2)CC1 257241505 HYGQAHFEAHDCKZ-UHFFFAOYSA-N 374.485 1.841 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCCc1cccc(C(=O)O)n1 542860221 XGGTYXMAURHMQJ-UHFFFAOYSA-N 350.396 1.618 0 40 FDAB C[C@@H]1OCC[C@@]12CN(S(=O)(=O)CCc1ccccc1F)C[C@@H](C)O2 656975183 HDVOWBJVFRATNC-JKIFEVAISA-N 357.447 1.966 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1CCCC1(F)F 672430744 DWZJWBOVQPLNBU-CYBMUJFWSA-N 372.393 1.780 0 40 FDAB CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccccc4)CC3)[C@@H]2C1 1775961836 DBXVSTUCXASPKM-SJORKVTESA-N 371.437 1.733 0 40 FDAB CCC(CC)N1C[C@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775957749 KZNJZSWSNXWXLM-VHDGCEQUSA-N 364.446 1.704 0 40 FDAB O=C(NCC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn21)c1cccnc1 585112793 WPOVPKWJTPRDMK-MRXNPFEDSA-N 368.441 1.671 0 40 FDAB O=C(c1ccnc(F)c1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 585105417 WHDWBCYUTWCBKZ-IFXJQAMLSA-N 370.384 1.273 0 40 FDAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCCn2cccnc2=O)CC1 675008368 UUROVJQOHWXWDY-UHFFFAOYSA-N 364.446 1.397 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC(=O)NC3CCCCC3)[C@H]3CO[C@@H]2O3)n1 952845012 YJPXPJZAVNLZBW-OVYGPGRDSA-N 364.446 1.158 0 40 FDAB biogenic,in-vitro O=C(c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)N1CCc2ccccc21 585188786 PYIQEZMVPCWSJX-CQSZACIVSA-N 371.462 1.934 0 40 FDAB Cn1cnc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615121219 NPUNVALLWNVYCF-UHFFFAOYSA-N 358.417 1.957 0 40 FDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)CC1 1615190361 HAFBISFWNSBABY-IBGZPJMESA-N 350.434 1.442 0 40 FDAB CCOC(=O)C(=CC(CC)(C(=O)OCC)C(=O)OCC)C(=O)OCC 5028383 QKNBSVJRMBBCKM-UHFFFAOYSA-N 358.387 1.562 0 40 FDAB CC(C)CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085956 NDZOKSVQSXWFMN-VBKZILBWSA-N 372.469 1.711 0 40 FDAB CC(C)(C)NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 14136008 PBGPAVBFDOLYGM-UHFFFAOYSA-N 371.437 1.598 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3nc(O)c(C)nn23)cc1 15882032 FVAGIMWTRSGQIN-UHFFFAOYSA-N 373.398 1.223 0 40 FDAB CC(=O)[C@@H](SC1=NN1c1cc(C)nc(N)n1)C(=O)Nc1ccccc1 16850186 PROUIPLHNRNGAQ-BXWDTWGJSA-N 356.411 1.788 0 40 FDAB Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCN3)n2CC1 19706323 IRFOGBVNYJOHLG-CYBMUJFWSA-N 358.446 1.821 0 40 FDAB Cc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)n1 390831132 PUVRLGCYMUYTBT-UHFFFAOYSA-N 364.393 1.854 0 40 FDAB Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCSCC3)C1)CCCC2 1889104364 CDALDQJFUNPRQO-QGZVFWFLSA-N 364.515 1.075 0 40 FDAB N=c1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)cc[nH]1 2037724444 UIXFZFSGNXZLEH-CQSZACIVSA-N 355.442 1.570 0 40 FDAB O=C(Cc1ccncc1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984703 KWHXNDULDYUEDQ-NRFANRHFSA-N 365.433 1.906 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(c5nccc(OC)n5)C[C@H]4C3)nn12 2087044512 QBDNOWJHIBQJEC-CHWSQXEVSA-N 366.429 1.058 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H]3c4nc(N5CCCC5)ncc4C[C@H]3C2)c1C 1565555676 NARBEQSMWMTJDH-JKSUJKDBSA-N 364.453 1.896 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 1565543085 UKAIYVYENHHTGV-OXQOHEQNSA-N 369.421 1.758 0 40 FDAB Cn1c(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)cccc1=O 1565556124 NSKIUDPTPYGCFI-WMLDXEAASA-N 373.478 1.420 0 40 FDAB CCOC(CNC(=O)c1nn(-c2ccccc2)c(=O)cc1OC)OCC 7455102 IJXCZHDBWPZGGI-UHFFFAOYSA-N 361.398 1.370 0 40 FDAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954682 KWNLADNAADYBJV-UHFFFAOYSA-N 359.407 1.790 0 40 FDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2F)cc1 10594539 LRHOUMUIUNVIHI-UHFFFAOYSA-N 365.365 1.727 0 40 FDAB Cc1cc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)nc(N2CCOCC2)n1 2298180922 LUNSSDMIFBMDLP-SJORKVTESA-N 361.490 1.047 0 40 FDAB COC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CCN(C(C)=O)C2 4281135 GIVAXSAFPVFUQT-UHFFFAOYSA-N 366.395 1.266 0 40 FDAB COc1ccc(-c2nnc3s/c(=C/c4ccco4)c(=O)n23)cc1OC 5100802 STWBEWXQNIREED-NTEUORMPSA-N 355.375 1.976 0 40 FDAB CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 248099510 ZVDLSJPOZVWMBQ-QXKUPLGCSA-N 369.506 1.508 0 40 FDAB biogenic CCOC(=O)[C@H]1CSCCN1C(=O)C[C@H](NC(N)=O)c1ccccc1 40062269 SQSQZCMDTMMSCV-UONOGXRCSA-N 365.455 1.293 0 40 FDAB COc1ccc(CNc2c(NCc3ccncc3)c(=O)c2=O)cc1OC 101700175 ZYHOADQQHBTOSP-UHFFFAOYSA-N 353.378 1.919 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102081851 MLBZDPXVBJLMEN-LUVWLHFXSA-N 371.389 1.452 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1C 32876249 PQKSBKGTUPTYID-MRXNPFEDSA-N 352.456 1.315 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccncc1 6969804 QTFIPWLPELSDGJ-UHFFFAOYSA-N 374.249 1.983 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=S)N1C 8193819 YHBIXELPLMEUGH-HNNXBMFYSA-N 367.421 1.959 0 40 FDAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NCCC(C)C 12201019 BECOPDRMEVXSIT-UHFFFAOYSA-N 354.428 1.673 0 40 FDAB COc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102530437 LLPSZIWVGXFRJN-ZJMHZOEWSA-N 352.390 1.687 0 40 FDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103047459 LAAPLUULLFJXTK-BETUJISGSA-N 354.410 1.697 0 40 FDAB CCOC(=O)CSCC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 22517527 SYQCAIVGGUPEJD-CQSZACIVSA-N 368.411 1.747 0 40 FDAB Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ncccn3)CC2)n1 56906805 OSIWIJFXEIAEGB-UHFFFAOYSA-N 367.457 1.528 0 40 FDAB CCNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 12582191 MZPMNFXMESNVGH-UHFFFAOYSA-N 366.487 1.673 0 40 FDAB CN(C)C(=O)COc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1 24625836 JWOSFWHRPYAXGU-UHFFFAOYSA-N 361.442 1.789 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 24854842 CNJQDQIHCNBIEU-DYVFJYSZSA-N 365.430 1.677 0 40 FDAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 106556311 XUZDFQOSCWWHNP-NHYWBVRUSA-N 366.439 1.175 0 40 FDAB O=C(NCCNc1ncccn1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 57062086 JDKHRDJPHGCHNF-UHFFFAOYSA-N 370.388 1.322 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)NC[C@H](C(C)C)N(C)C 26304509 CRHJCBRLFQLUAG-OAHLLOKOSA-N 350.463 1.828 0 40 FDAB CCOc1ccc(NC(=O)C2CCOCC2)cc1S(=O)(=O)N(C)C 26787766 QENCEXBLMXWCQY-UHFFFAOYSA-N 356.444 1.701 0 40 FDAB O=C(Cc1csc(Cc2ccccc2)n1)NC[C@@H]1CCS(=O)(=O)C1 48151923 JPPNODYAGSLIFV-AWEZNQCLSA-N 364.492 1.827 0 40 FDAB CN(C)C(=O)CN1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 58218381 SRRSJXBZVJLMMR-UHFFFAOYSA-N 368.481 1.866 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1C(F)(F)F 58916860 ZOJSAUCNOQECTE-UHFFFAOYSA-N 351.346 1.479 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)c1cnn(C)c1 12852578 XRQWYQPELSQBEA-UHFFFAOYSA-N 358.398 1.291 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCCOc2cccc(C)c2)CC1 12984118 OUTMRKVWJKCOFT-UHFFFAOYSA-N 369.487 1.487 0 40 FDAB CN(CC(=O)NCCCCCCC(=O)O)S(=O)(=O)c1ccc(F)cc1 12998814 DLVIIBFYRBVTNX-UHFFFAOYSA-N 374.434 1.598 0 40 FDAB O=C(NC12CC3CC(CC(C3)C1)C2)C1=CN2CCS(=O)(=O)N=C2C=C1 17305398 OYUDOARLPWSRLB-UHFFFAOYSA-N 361.467 1.569 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)no1 306133852 MXVCBIPZHXPLED-OAHLLOKOSA-N 365.459 1.208 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)NC(C)C 5060424 ATOVCNABDTUHRW-UHFFFAOYSA-N 367.471 1.019 0 40 FDAB CCCOC1=C(C(=O)N2CCOCC2)N(C)S(=O)(=O)c2ccccc21 5322325 NQYUYBFCMYORSY-UHFFFAOYSA-N 366.439 1.275 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 14122577 DOSBNYPWKYMBPS-UHFFFAOYSA-N 373.478 1.553 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1C(=O)NC1CC1)CS2 14198517 BDWIGOTZIKEYFE-KDOFPFPSSA-N 359.451 1.971 0 40 FDAB COC(=O)CNC(=O)CCCC(=O)NCc1cccc(Br)c1 4681144 XDWGQJZNLBNIEY-UHFFFAOYSA-N 371.231 1.525 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1OC 5787985 PQHYHUKOTMKSAH-LBPRGKRZSA-N 352.412 1.678 0 40 FDAB CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)s1 9322014 REYLUUICCIUZFV-SSDOTTSWSA-N 351.457 1.702 0 40 FDAB CC(C)CN(CC(C)C)C(=O)CN1NS(=O)(=O)c2ccccc2C1=O 6951499 ZPYNWTMYDFGZGT-UHFFFAOYSA-N 367.471 1.476 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 7032015 ZSFYZVJBIRIZJT-UHFFFAOYSA-N 370.333 1.408 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1OC 408585864 KDCPWDQGNMKMAT-NSHDSACASA-N 358.416 1.721 0 40 FDAB Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1cccnc1)C(=O)N2C(C)C 9061332 QQSHIWCZGSHGQN-QGZVFWFLSA-N 366.421 1.619 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 7544670 MMQZSDVYXZPVHM-ZDUSSCGKSA-N 358.446 1.494 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1 7727741 YKJSUMQWWOBFAI-UHFFFAOYSA-N 371.436 1.908 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@H]2C=CCC2)CC1 8021223 HFGPVKVROXZXTE-AWEZNQCLSA-N 353.444 1.481 0 40 FDAB CCCc1nnc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 16751788 NNEYYBUTZZUNEJ-UHFFFAOYSA-N 361.836 1.590 0 40 FDAB COc1ccc(-c2[nH]ncc2C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 9338341 BMTSOEGRPKPFDL-NSHDSACASA-N 374.397 1.865 0 40 FDAB COCCc1noc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)n1 83867763 VOYJFBNCEKEUIV-UHFFFAOYSA-N 358.398 1.658 0 40 FDAB CC(=O)N1CCC(CCC(=O)Nc2ccc(N3CCN(C)CC3)cn2)CC1 79592029 PUXITMMRSNSJNS-UHFFFAOYSA-N 373.501 1.811 0 40 FDAB COc1ccc([C@H]2CCCN2C[C@@H](O)CN2CCOCC2)c(OC)c1 25301350 JWMHKTRBDKPMFD-MAUKXSAKSA-N 350.459 1.534 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1OC 20005025 WFWCBJHOWLMOJH-CQSZACIVSA-N 364.423 1.079 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)on1 9916214 LAOGIAMFCOOLIX-UHFFFAOYSA-N 371.365 1.408 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 89404360 HIVALKVWKDCINO-BBRMVZONSA-N 354.472 1.464 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 306131918 KTCFYFUSKHJHRG-USXIJHARSA-N 359.451 1.829 0 40 FDAB Cc1cccc(CCNC(=O)NCCc2nnnn2-c2ccccc2)n1 511975692 DBGKOPDFYCUZNE-UHFFFAOYSA-N 351.414 1.450 0 40 FDAB CN(CC(=O)N1CCN(C2CC2)c2cc(Cl)ccc21)S(C)(=O)=O 548603178 ACNVTCMSKAQROF-UHFFFAOYSA-N 357.863 1.547 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)ccc21 516750872 GQNSEFUFBGAZDN-CQSZACIVSA-N 356.426 1.657 0 40 FDAB CS(C)(=O)=NCC1CCN(C(=O)C(F)(F)C2(O)CCCC2)CC1 1520720477 FLYYBBZNZRNHPP-UHFFFAOYSA-N 352.447 1.893 0 40 FDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[C@]2(O)CCCC[C@H]2C1 524732451 DVPAPFNOBRWWTH-JENIJYKNSA-N 355.442 1.611 0 40 FDAB Cc1noc(C)c1CCC(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 79502286 OCFWCCKPSNOVMQ-UHFFFAOYSA-N 356.382 1.044 0 40 FDAB O=c1n(Cc2ccccn2)nc2n1-c1cc(Cl)ccc1C1=NCCN12 72348115 JGRNABZIDPMNJV-UHFFFAOYSA-N 352.785 1.711 0 40 FDAB C[C@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 46959724 JULLOCRIFWRPEX-HNNXBMFYSA-N 367.515 1.789 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OC 45866077 RFQVLSNTCXEPPP-UHFFFAOYSA-N 371.436 1.908 0 40 FDAB COc1nccnc1O[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2F)C1 225390916 RHWGRBAYIMZLIK-NSHDSACASA-N 371.365 1.605 0 40 FDAB COc1ccc([C@H](OC)[C@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 576700618 NWTZOTDTFUVKJT-NILFDRSVSA-N 372.443 1.155 0 40 FDAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(C(F)(F)F)nn1)C[C@@H](C)O2 579553412 YSVUGDAOVFKVSX-ISTVAULSSA-N 360.336 2.296 0 40 FDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96223451 NYAAHGRDBOFCAU-QFBILLFUSA-N 353.426 1.772 0 40 FDAB CS(=O)(=O)c1ccc(C2(OC(=O)C(F)(F)F)CCNCC2)cc1 95918495 XPHIOAYZCKUDMO-UHFFFAOYSA-N 351.346 1.774 0 40 FDAB Cc1nc(CN2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)cs1 96062354 QTKLHQANQRTMRF-SFHVURJKSA-N 361.515 1.910 0 40 FDAB CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(S(C)(=O)=O)CC2 96260521 QUQPWOQGWQGKEM-UHFFFAOYSA-N 368.503 1.212 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1 257327188 XAIZZWBHLQGBSB-LBPRGKRZSA-N 353.375 1.166 0 40 FDAB 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FDAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cn[nH]n1 72311713 NBRJQNJQWYJFRS-QAQURRIXSA-N 359.474 1.778 0 40 FDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCc1ccc2c(c1)OCO2 72405168 VHEUUYPJZXGSPR-UHFFFAOYSA-N 363.373 1.955 0 40 FDAB COC(=O)CCN1CCN(Cc2nc(-c3cccs3)no2)[C@@H](C)C1 95986099 MUADDCDLDJSEBW-LBPRGKRZSA-N 350.444 1.867 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306140710 VBNXJNACAVXBBI-HNNXBMFYSA-N 354.472 1.819 0 40 FDAB Cc1nn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1Cl 27981947 IXSDTIQGBBXYFZ-UHFFFAOYSA-N 350.806 1.731 0 40 FDAB Cc1nn(Cn2ccc(C(=O)N3CCOCC3)n2)c(C)c1Br 27973346 YHGHZWOEVZQMHF-UHFFFAOYSA-N 368.235 1.437 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3S2(=O)=O)cs1 306130820 JQCDDEJOHJKKFI-ZBFHGGJFSA-N 364.496 1.493 0 40 FDAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)o2)cn1 32610297 WGIBFAGNUHZCNH-UHFFFAOYSA-N 372.410 1.783 0 40 FDAB Cc1csc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 31813679 AFUNVYFUZZXESR-GFCCVEGCSA-N 358.423 1.559 0 40 FDAB 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1.388 0 40 FDAB CNc1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(C)cc3)C2)ccn1 585278825 VRXLIADKUZFVCA-HXUWFJFHSA-N 355.438 1.878 0 40 FDAB Cc1nccnc1C(=O)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615159943 IVCSVNQSWXMWOT-JKSUJKDBSA-N 351.447 1.320 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1N1CCCCS1(=O)=O 5439599 FCRYANADSYYVBU-HNNXBMFYSA-N 352.456 1.834 0 40 FDAB COc1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cn1 12122237 HZEYHTOZRUUENM-UHFFFAOYSA-N 350.382 1.601 0 40 FDAB CCN(CC)C(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142377 JNIPJPXPFKFZHY-UHFFFAOYSA-N 366.487 1.051 0 40 FDAB COc1ccc(OCCN2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 15113426 IJPSJXKJGJJOMY-UHFFFAOYSA-N 364.833 1.633 0 40 FDAB Cc1cc(C)cc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 17073923 UGBGUAQVWHZEJX-NZBFACKJSA-N 358.394 1.264 0 40 FDAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19501641 LPPCGZIOYBXCOV-MRXNPFEDSA-N 372.469 1.918 0 40 FDAB CN1CCc2c(O)nc(C3CCN(C(=O)c4ccncc4)CC3)nc2C1 19590751 WWEBMRGVZUPSGL-UHFFFAOYSA-N 353.426 1.585 0 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CC(C)NC(=O)c1noc2c1C[C@H](NS(=O)(=O)c1cccnc1)CC2 2055739195 NXOJVWABJKPGTC-LLVKDONJSA-N 364.427 1.044 0 40 FDAB C[S@@](=O)c1ccc(C(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)cc1 50536656 WPIAMWMKTKSKTG-WZQKQDCOSA-N 373.430 1.701 0 40 FDAB O=C(CNC(=O)c1ccc(-n2cncn2)cc1)Nc1ccc(F)c(F)c1 32727679 DIEUWEUGDLAEBI-UHFFFAOYSA-N 357.320 1.914 0 40 FDAB CC1CCN(C(=O)[C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)CC1 41106566 NQKOZMMVUSFGLY-INIZCTEOSA-N 351.491 1.204 0 40 FDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)C)=C2)cc1 6800330 CIGLARSOJBCDCQ-UHFFFAOYSA-N 351.428 1.473 0 40 FDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1cc(F)ccc1F 69343123 RIKMGONCHJSFCV-PWSUYJOCSA-N 363.382 1.744 0 40 FDAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C 20029430 FBCHKLHVUMXZMV-QGZVFWFLSA-N 359.426 1.417 0 40 FDAB COc1ccc(NC(C)=O)c(NC(=O)CSc2nnc(N)s2)c1 8391391 ISDQYSZZXHTTLC-UHFFFAOYSA-N 353.429 1.818 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(F)c2)c1 58192649 NOXYMCMENXXCSN-LLVKDONJSA-N 372.443 1.773 0 40 FDAB COc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccn3)CC2)cc1 25302617 ICQYWSZYCNTWAG-SFHVURJKSA-N 357.454 1.648 0 40 FDAB O=C(Cn1cnnn1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 57361588 HRXJMHYPNJOEQN-UHFFFAOYSA-N 369.347 1.557 0 40 FDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cc(C)c(C)cc3n2)NC1=O 22607726 AOEVDAVDACHBLZ-LBPRGKRZSA-N 355.398 1.632 0 40 FDAB COc1ccc2c(c1)CCCN2C(=O)Cn1cnc2c(cnn2C)c1=O 10678969 ASYFHZBJIIDECL-UHFFFAOYSA-N 353.382 1.118 0 40 FDAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)N[C@@H]1CCS(=O)(=O)C1 27370198 MXRCXXZCFLBDIZ-LLVKDONJSA-N 374.865 1.747 0 40 FDAB CC(C)(CNC(=O)c1cnc2nc(O)[nH]c(=O)c2c1)c1ccccc1F 58202849 DKKXENWLLDZZJH-UHFFFAOYSA-N 356.357 1.870 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)[C@H](C)NC(=O)c2ccoc2)ccn1 48314784 JPDUPAIVHRMVOH-LBPRGKRZSA-N 353.382 1.603 0 40 FDAB CN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 12906642 YFHUDUGIHDFHGF-GWCFXTLKSA-N 354.453 1.135 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 12971600 HTLAMUNLSFWYGL-LIRRHRJNSA-N 372.377 1.689 0 40 FDAB O=C([C@H](Cc1ccccc1)NC[C@H]1CNc2ccnn2C1)N1CCCC1 69516415 FBEZBPWHNFVKKA-ROUUACIJSA-N 353.470 1.748 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCOC(C)C)cc1C 408559422 LYZZBGHEZIKBEX-CQSZACIVSA-N 372.487 1.602 0 40 FDAB Cc1cc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)no1 5292054 ZXLPMMYORJDRBV-GOSISDBHSA-N 355.350 1.635 0 40 FDAB CCc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495850 KFXNUTNGAOTIIW-CYBMUJFWSA-N 353.378 1.015 0 40 FDAB CN(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 6547603 ZVOLRDGGUGERLO-UHFFFAOYSA-N 351.362 1.603 0 40 FDAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 14671258 CMCDYGFAEFRFMK-UPTRSRDDSA-N 350.465 1.768 0 40 FDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 4884401 ISAGLSQDCKILSP-UHFFFAOYSA-N 361.379 1.777 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 5871182 GNCMFQBAIYDRJG-KBPBESRZSA-N 357.410 1.482 0 40 FDAB COCCNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422497 KZUCNCFQOGDWLB-UHFFFAOYSA-N 360.380 1.375 0 40 FDAB C[C@@H](NCc1cc(=O)n2ccccc2n1)c1cccc(NS(C)(=O)=O)c1 96012814 LVPPZAHHABOPKV-CYBMUJFWSA-N 372.450 1.917 0 40 FDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)N4CCCC4)CO3)C2)n(C)n1 306124074 BFBRRUDSTDEWKT-INIZCTEOSA-N 361.490 1.515 0 40 FDAB Cc1ccccc1Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 62720441 JSOCWKJAPUWREL-UHFFFAOYSA-N 363.215 1.553 0 40 FDAB CCOc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCC2)cc1 409096777 LAQNEILIMCYSKC-UHFFFAOYSA-N 362.455 1.925 0 40 FDAB O=C(O)[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cccs1 547546273 DPZAOTPOEXIGMU-CABZTGNLSA-N 357.413 1.010 0 40 FDAB CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)O)cn12 306123750 AVQYXRLABAIBQY-INIZCTEOSA-N 351.410 1.916 0 40 FDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217502582 VPYIJJLIHINXOC-AAEUAGOBSA-N 372.443 1.289 0 40 FDAB O=C(Cn1nc(-c2ccco2)n(-c2ccncc2)c1=O)NC1CCCC1 72389437 PEMIVIOGZHCRES-UHFFFAOYSA-N 353.382 1.748 0 40 FDAB CN(CCOc1ccc(F)cc1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 48236958 GZJHOMGUPFNBIZ-UHFFFAOYSA-N 365.405 1.774 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1 225131272 QWJSAAYWYURTQZ-UHFFFAOYSA-N 370.412 1.459 0 40 FDAB COc1ccccc1CNC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470922 AUBLHDCYFAXTPH-UHFFFAOYSA-N 356.426 1.322 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)c3cc(C)oc3C)cc2)c1=O 75163210 VBLRYWIKEQASMM-UHFFFAOYSA-N 357.370 1.538 0 40 FDAB COC[C@@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1c1ncccn1 96207491 CPFXDBHVUNWMQK-HNNXBMFYSA-N 358.421 1.918 0 40 FDAB Cc1nc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)cs1 96207040 XQJVQLJYFQPYBP-PBHICJAKSA-N 351.472 1.149 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1 249699624 WXHYKPPNXLEKJY-HNNXBMFYSA-N 371.441 1.762 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccno2)n(C)n1 248076020 ZCTYCXWCDWLFOT-CQSZACIVSA-N 359.430 1.128 0 40 FDAB Cc1ccnc(O[C@@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)n1 253477817 HSUDRHLEMPMKHM-MRXNPFEDSA-N 357.414 1.198 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCc1cnn(C)c1C 257221354 DORNONAOOOXJPZ-KRWDZBQOSA-N 357.458 1.620 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CCO2)n1 257251913 JSVQAINTUUOLHK-HNNXBMFYSA-N 353.382 1.889 0 40 FDAB Cc1ccsc1CN1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 253599886 WBQOMQNJFOHCER-ZDUSSCGKSA-N 354.501 1.749 0 40 FDAB O=C(O)c1cccc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 262213331 QBQPWRZYCUXCJJ-MRXNPFEDSA-N 360.410 1.025 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)nc1C 536597880 LXGXHVOAOUHLCA-NSHDSACASA-N 369.472 1.460 0 40 FDAB COc1cc(F)cc(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 271278671 PVOKLTQDAFFWOY-UHFFFAOYSA-N 373.450 1.305 0 40 FDAB CO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1(C)C 674662231 IDTYOFUMXKZSMF-HOTGVXAUSA-N 366.483 1.942 0 40 FDAB Cn1cccc1C(=O)N[C@@H]1CCC[C@@H]1Cn1cc(CC2(O)CCC2)nn1 1775960719 FTOSAUATZJSCTQ-GDBMZVCRSA-N 357.458 1.673 0 40 FDAB COc1c[nH]c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1=O 604419252 ZITLXRJCOYXAAY-UHFFFAOYSA-N 353.382 1.446 0 40 FDAB COCCOC(=O)Nc1cccc(NC(=O)N[C@@H](CO)c2ncc[nH]2)c1 1667700529 YLRSKPKLKWVNOB-ZDUSSCGKSA-N 363.374 1.460 0 40 FDAB Cn1nnnc1SCC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 96096904 SPMQXPUROBMEAM-UHFFFAOYSA-N 368.850 1.421 0 40 FDAB Cn1cc(O[C@@H]2COC[C@@H]2NC2CCN(Cc3ccncc3)CC2)cn1 685940043 DFOBCLLGNHBHGC-RBUKOAKNSA-N 357.458 1.216 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)c1cccs1 58185017 YLKDCQLUUQGAFZ-UHFFFAOYSA-N 358.423 1.649 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 58202832 MEAVJFDBSBJNIU-MRXNPFEDSA-N 374.418 1.335 0 40 FDAB O=C(NCCc1ccccc1)[C@@H]1C(=O)C(=O)N(CCc2ccccc2)C1=O 1616289 UIEXAKTXJJHLDN-KRWDZBQOSA-N 364.401 1.142 0 40 FDAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 5240442 ZBGBWHDGQQXCQA-CYBMUJFWSA-N 372.377 1.819 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cnn(C)c4C)nc32)cc1 12114185 WBKUHYVABIWLSZ-UHFFFAOYSA-N 363.381 1.225 0 40 FDAB COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 12791054 GPDOZULHQJPAER-UHFFFAOYSA-N 370.471 1.837 0 40 FDAB CC[C@@H](C)S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1 19701117 UVJNLFBTXGVCPG-GFCCVEGCSA-N 366.487 1.386 0 40 FDAB COc1ccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCNC4)C2)cc1 19711027 RHQIHEIWYRNEGS-INIZCTEOSA-N 369.469 1.729 0 40 FDAB O=C(NC1=NS(=O)(=O)c2ccccc21)c1ccc(-n2cccn2)nc1 19716555 NCKOUVGFRPDXGN-UHFFFAOYSA-N 353.363 1.146 0 40 FDAB O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)NCC(F)F 19751324 KBYJFRZHANNICD-UHFFFAOYSA-N 367.327 1.299 0 40 FDAB CCOC(=O)c1nc(N2CCCN(C(N)=O)CC2)ccc1Br 603286374 GDUWXDGIFZQTTA-UHFFFAOYSA-N 371.235 1.612 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)Cc1ccc(-n2cccc2)cc1 643551250 SDLQGDPAFYPXSA-POAQFYNOSA-N 358.438 1.237 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)NC(C)(C)C)C[C@H]4C3)ncnc21 1888870026 XKTCLXQNTVFUPI-BETUJISGSA-N 357.462 1.722 0 40 FDAB COCCn1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc21 1888906834 MRNUSNBLXHYANS-UHFFFAOYSA-N 362.434 1.530 0 40 FDAB Cc1csc2nc(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)n12 24574654 UTQMMMZNQWHBTL-UHFFFAOYSA-N 358.423 1.615 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)n1 2037840659 PUYUFYXNRLBDJI-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB O=C([C@@H]1C[C@H]2OCCN(C(=O)Cc3ccc(F)cn3)[C@@H]2C1)N1CCCC1 1565545918 OKMUKHLAUATNRY-IAOVAPTHSA-N 361.417 1.392 0 40 FDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2cnn(C)c2)CC1 2055751283 DZHYYRLIFYMXBB-UHFFFAOYSA-N 355.442 1.595 0 40 FDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCCN1CCOCC1 19873257 KKQOXIOQUVUUIJ-UHFFFAOYSA-N 370.375 1.894 0 40 FDAB O=C(Cn1cccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220864153 JSGRDQFRLCFRBI-CQSZACIVSA-N 352.398 1.809 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 44451813 IBOALXBTWOQGID-UHFFFAOYSA-N 356.341 1.703 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)s1 30008841 VPZWCZOSWPCVAU-UHFFFAOYSA-N 373.544 1.785 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(N2CCCCC2)nc1 40034431 XRGUBAZUBYWCDI-HOTGVXAUSA-N 368.437 1.962 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100304237 LAZYXNJHFDLVPI-LLLJDESDSA-N 353.374 1.608 0 40 FDAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101505369 KIBXGEWYSNLPIT-ZBFHGGJFSA-N 354.293 1.847 0 40 FDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 778537 HQMKRBXDDSZNPK-UHFFFAOYSA-N 355.329 1.889 0 40 FDAB O=C(CCc1ccco1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29670361 JSABHHKSBQDORJ-UHFFFAOYSA-N 356.378 1.926 0 40 FDAB O=C(NCC1=CSC2=NCCN12)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 102058796 JBTMZLATWNNFAB-NSHDSACASA-N 358.423 1.121 0 40 FDAB COc1cc(OC)c(S(=O)(=O)NCc2cccnc2)cc1NC(C)=O 4241569 DYLRKTOOIFUKTL-UHFFFAOYSA-N 365.411 1.536 0 40 FDAB CCN(CCNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)c1cccc(C)c1 32825826 BEUAMGXGLOSDIN-IYBDPMFKSA-N 355.504 1.765 0 40 FDAB O=C(NCc1nnc2ccccn12)c1ccc(=O)n(Cc2ccccc2)n1 8337620 XOSUGUDNWMBIQP-UHFFFAOYSA-N 360.377 1.264 0 40 FDAB O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 591669 CZWVHOJDIJIJOH-UHFFFAOYSA-N 372.402 1.508 0 40 FDAB CN1CCN(CC(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)CC1 61717529 LFLLCCLUDXWUIW-UHFFFAOYSA-N 369.256 1.760 0 40 FDAB O=C(CN1CCCCCC1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 54705886 AZRLTZLDCUNYIJ-HNNXBMFYSA-N 373.453 1.937 0 40 FDAB C[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCO1 24044870 STRCSUXJIPVQQK-LLVKDONJSA-N 369.347 1.945 0 40 FDAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 24368012 KYTCOSVEWQBGIW-LBPRGKRZSA-N 366.464 1.864 0 40 FDAB C[C@H](Sc1nc2sccc2c(=O)n1C)c1nc(N)nc(N(C)C)n1 24971211 CHJKBBWWTOIYCO-ZETCQYMHSA-N 363.472 1.682 0 40 FDAB COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1 103047297 VCWGCAOKJPQZAV-ZIAGYGMSSA-N 358.394 1.984 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 58268295 ZBLBVSVKUUBCGA-CABCVRRESA-N 373.478 1.910 0 40 FDAB CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)CC1 22926948 AVWCUCMIBAQHSN-SLFFLAALSA-N 356.514 1.374 0 40 FDAB biogenic,in-vitro CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N1CCNC1=O 23989559 BZLHXYZEMKVUCB-UHFFFAOYSA-N 352.822 1.461 0 40 FDAB O=C(c1ccccc1O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375220 AAQOADUBHVTQBN-UHFFFAOYSA-N 360.435 1.975 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 3327034 QTVPGGGXZIXIFY-VBKZILBWSA-N 355.438 1.867 0 40 FDAB Cn1c(COC(=O)Cc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O 11198573 TZJRUAZTQDYQTP-UHFFFAOYSA-N 356.300 1.389 0 40 FDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1 408600887 DCKGKGKKBQWZTK-CYBMUJFWSA-N 358.460 1.295 0 40 FDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CC1=O 8745437 RXDLPRHPWGGPTQ-YJBOKZPZSA-N 369.465 1.677 0 40 FDAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 8708942 SKQHHALGNGYAQR-UHFFFAOYSA-N 359.455 1.992 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 12818321 ZGUVALAIYMNMCN-UKRRQHHQSA-N 353.440 1.576 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)nn12 3435650 HVRPMXPIGQVLLS-UHFFFAOYSA-N 365.802 1.742 0 40 FDAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 18516445 YESSLUPFHGCBBQ-GFCCVEGCSA-N 357.366 1.751 0 40 FDAB CCc1nnc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)s1 408980101 UUJMGOFVWZHBDO-UHFFFAOYSA-N 370.398 1.721 0 40 FDAB CCc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1 5065709 SCNDDWIXACHYQH-YVLHZVERSA-N 350.447 1.751 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3o2)c1 4332157 GVNNZOZLPXUQMT-UHFFFAOYSA-N 374.374 1.876 0 40 FDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C)c1 39984924 GPWGIHRUCVWTCZ-UHFFFAOYSA-N 371.397 1.336 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)CCOc2cccc(C)c2)c(=O)[nH]c1=O 14094168 QLCJZJCGMYONHF-UHFFFAOYSA-N 374.441 1.031 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C(N)=O)cc2)c1C 14116880 PAYRYXDJFHFWRQ-LLVKDONJSA-N 372.377 1.945 0 40 FDAB Cc1[nH]nc(O)c1C(c1ccc(OCC(=O)O)cc1)c1c(O)n[nH]c1C 4540777 PGMHPOWIMJGSIX-UHFFFAOYSA-N 358.354 1.804 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCCCCC2)cc1 5850712 QCYQTSDUNOOXFU-UHFFFAOYSA-N 362.426 1.807 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)o1 7278439 MAKMMDYYTYHATN-HXUWFJFHSA-N 367.405 1.940 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 80330079 ILGIKKKCVIRIEZ-OAHLLOKOSA-N 372.429 1.342 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)CCC3)cc1 7887763 JDDJJUULAHYOGT-UHFFFAOYSA-N 374.418 1.618 0 40 FDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1 16491645 OIAUDWUXWFZJNG-UHFFFAOYSA-N 371.484 1.823 0 40 FDAB CNC(=O)NC(=O)Cn1cnc2cc(-c3cccc(C)c3)sc2c1=O 19797143 YFUQPQMDBNGMOL-UHFFFAOYSA-N 356.407 1.889 0 40 FDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCc3cnccc32)c1 84015365 QKBJRLQNJWKDFC-UHFFFAOYSA-N 366.464 1.853 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704571 PSTONEORAQIDOS-LLVKDONJSA-N 356.444 1.527 0 40 FDAB CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C)c(F)cc1F 84674551 VLRRNNVSBLVRCH-SNVBAGLBSA-N 355.428 1.717 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2ccnc3ncnn23)nn1-c1ccccc1F 95458285 TYGJDKXJSROGGS-UHFFFAOYSA-N 365.328 1.370 0 40 FDAB COCCN(CCOC)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 79068792 VOJBKHLDXSWFNE-ZDUSSCGKSA-N 361.435 1.357 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)CSc1nc2ncccn2n1 9954649 CWTDJYJGJHNCQH-UHFFFAOYSA-N 363.424 1.259 0 40 FDAB CCc1ccc([C@@H](C)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 75478664 KUGHKPZOEGMJJO-CZUORRHYSA-N 366.483 1.162 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cnn(C)c1 25587771 JWPHURHSHWROBF-BQYQJAHWSA-N 367.409 1.345 0 40 FDAB O=C(C1CC1)N1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306138921 SKVIHDNCDUKQAM-HNNXBMFYSA-N 355.442 1.682 0 40 FDAB COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 408553881 QYLWCPLGYDOCIV-UHFFFAOYSA-N 355.350 1.167 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)n2cncn2)cs1 548681932 XPAFYMWDAZOOOK-JKOKRWQUSA-N 352.439 1.333 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72378082 VSQHYTMROZMIAO-ZDUSSCGKSA-N 350.386 1.721 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1 72339586 JICZSJZPGAWATQ-UHFFFAOYSA-N 357.439 1.639 0 40 FDAB CCN(CC)CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)O 30879438 QWZZOYNSWKNMRQ-HOTGVXAUSA-N 355.479 1.583 0 40 FDAB biogenic,in-vitro COC(=O)c1sc(NC(=O)CCCn2c(C)cc(O)cc2=O)nc1C 79476337 BFPMTXRYGDEDFW-UHFFFAOYSA-N 365.411 1.833 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2F)CCO1 562966437 AMXYPZAOEFCTDR-QMMMGPOBSA-N 368.180 1.062 0 40 FDAB COC(=O)CCN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2C1=O 40145764 CANYMNZPDVLKLF-UHFFFAOYSA-N 372.299 1.237 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC 224233967 GTZGHBDDMWHZRF-UHFFFAOYSA-N 366.443 1.347 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 137590398 WJZJAHCUBCVAQP-AUSJPIAWSA-N 373.453 1.870 0 40 FDAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(SC)s2)cc1 222839660 YJVOTIQLTPDMQI-UHFFFAOYSA-N 359.454 1.989 0 40 FDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 331457158 DDHZHCJQFZABDI-LLVKDONJSA-N 371.528 1.666 0 40 FDAB CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)CC1 96228467 CFZBLXZUBZATMS-XLIONFOSSA-N 358.486 1.340 0 40 FDAB O=C(CCc1nnc2ccc(Cl)nn12)N[C@@H](Cc1ccccc1)C(=O)O 96223831 LWUIHKNVTASYGT-LBPRGKRZSA-N 373.800 1.522 0 40 FDAB COCCC(=O)N1Cc2ccnn2C[C@H](OCc2csc(C)n2)C1 248061618 VZCSFNFAEOYEHA-OAHLLOKOSA-N 350.444 1.612 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247826949 JSALUIGMWSLONH-HNNXBMFYSA-N 372.425 1.006 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2ccnn2C)C3)n1 248021021 HUPAWQNOGSLLDK-HNNXBMFYSA-N 371.441 1.609 0 40 FDAB CCCn1cc(Cl)c(C(=O)N2CCO[C@@H](c3nccnc3N)C2)n1 257284574 PDFNPWACYPZFLR-LLVKDONJSA-N 350.810 1.532 0 40 FDAB Cc1cn([C@@H]2CN(Cc3scnc3C)CC[C@@]2(C)O)c(=O)nc1O 257221963 DRHNPVKTPSCKHZ-CZUORRHYSA-N 350.444 1.220 0 40 FDAB CCn1nccc1-c1cc(C)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257316684 VGOAUCQMCYXQJZ-UHFFFAOYSA-N 363.487 1.883 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257251680 JRRQPVLQFDEOMC-CQSZACIVSA-N 357.414 1.940 0 40 FDAB CNC(=O)CN1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 257267841 MIYNRCLMPAXTMJ-HNNXBMFYSA-N 369.473 1.861 0 40 FDAB NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@@H]1CCCc3c(O)cccc31)CC2 277645384 XOXIIQNUEWFYBV-IUODEOHRSA-N 368.437 1.486 0 40 FDAB Cc1noc([C@H]2CN(C(=O)c3ccc(=NCC4CC4)[nH]c3)C[C@@H](C)O2)n1 628861955 FPXBQMVQLXMGKO-IAQYHMDHSA-N 357.414 1.619 0 40 FDAB Cc1cccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)O)N2c2cnn(C)c2)c1 630662374 DRENLANTXGGTNH-SJORKVTESA-N 356.426 1.809 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCNS(=O)(=O)c2ccccc2)C1 643858587 HZRABSCYAXVJHS-HIFRSBDPSA-N 350.444 1.150 0 40 FDAB CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1ccc(OCC2CC2)cc1 644348937 OZTKJCWYWVJJSM-OAHLLOKOSA-N 352.456 1.533 0 40 FDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1CCc2ncncc2C1 649248869 BPYHLHQSVPCITF-ZDUSSCGKSA-N 355.394 1.647 0 40 FDAB CO[C@@H]1CCC[C@@H](CC(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)C1 668295164 KUNDGMXMJFHDHN-TZMCWYRMSA-N 350.419 1.735 0 40 FDAB Cc1nn2c(=O)cc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2s1 1775973664 MQWOAHWURVKDSY-STQMWFEESA-N 369.450 1.240 0 40 FDAB Cn1ccc(CC(=O)N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)n1 585108292 TYXJLUCZOFMIHM-NZSAHSFTSA-N 370.453 1.580 0 40 FDAB O=C(c1cccc(Br)c1)N1CCN(C[C@@H](O)C2CC2)CC1 85436626 VGUFNVQKOUJODK-OAHLLOKOSA-N 353.260 1.978 0 40 FDAB C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)c(F)c1 13042314 JMVOMOWVHDCTDM-SNVBAGLBSA-N 369.393 1.902 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210565 IUOCSPUKEORDBZ-UIVXKWKOSA-N 368.389 1.970 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3nc(C4CCNCC4)ncc3C2)cc1 19211672 VOPJFVWFTMUVJI-UHFFFAOYSA-N 372.494 1.999 0 40 FDAB CCN1CCN([C@H](c2ccccc2Cl)c2nnnn2CCOC)CC1 19528071 CRQPFYNGHDRJPM-MRXNPFEDSA-N 364.881 1.700 0 40 FDAB COc1ccccc1C(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19568996 DPHMUHIIBKMBJK-CQSZACIVSA-N 365.437 1.947 0 40 FDAB Fc1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1889108962 UHRSNXFSLIMLNI-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1Cl 1776008332 BEXSVLJBXQACSW-UHFFFAOYSA-N 374.890 1.882 0 40 FDAB Cc1c(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cnn1C 2037840462 NEBDZUHLOVYKTE-IBGZPJMESA-N 354.410 1.377 0 40 FDAB O=C(c1cc[nH]n1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565548450 CJXHYDUIKQLMQU-UHFFFAOYSA-N 350.386 1.142 0 40 FDAB O=C(COc1ccccc1F)N1CCCN(c2ccc3nncn3n2)CC1 1565523193 HMUZPXURQUVQRS-UHFFFAOYSA-N 370.388 1.381 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccon1)N1CCCCCC1 11898737 BYPCXEGGXDJVIG-OAHLLOKOSA-N 359.430 1.685 0 40 FDAB CC(C)CC(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055745987 XLEADYCIMPUMJZ-UHFFFAOYSA-N 361.490 1.284 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2cccc(F)c2)C1 2055772063 UFLNCRBOPXXAEB-IBGZPJMESA-N 358.417 1.671 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 206871359 JQAAVHDYPYPDFY-UHFFFAOYSA-N 371.351 1.298 0 40 FDAB C/C=C/Cn1c(=O)c2c(nc3n(-c4ccc(O)cc4)c(C)cn23)n(C)c1=O 9421393 WDRJDUOFNXIODY-SNAWJCMRSA-N 365.393 1.729 0 40 FDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 89683935 LBKFNHYWAMMJQF-OLZOCXBDSA-N 355.402 1.820 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)C3CC3)C2)n(C(C)C)n1 2332241439 LJFHRAKKBUPHNK-IACUBPJLSA-N 372.491 1.084 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)CC1 40025485 LXTBOUVACXNMPE-CQSZACIVSA-N 363.414 1.621 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)c2ccc(F)cc2F)c1=O 51289305 RMDHKKXYYYIAJE-LLVKDONJSA-N 362.254 1.978 0 40 FDAB CC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1361336 YDRPPTYWNNMFPE-UHFFFAOYSA-N 372.512 1.984 0 40 FDAB CCc1nnsc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 32903920 YEBFLRADRWMSBM-UHFFFAOYSA-N 351.432 1.085 0 40 FDAB COc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cn1 8078046 FFCRGGFLQBMVTA-UHFFFAOYSA-N 368.393 1.586 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cnn(C)c2)cc1 8352797 UMRYDDIGNFAQGW-UHFFFAOYSA-N 350.444 1.381 0 40 FDAB O=C(c1ccccc1O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 53776515 PPOAADNAFKYMIK-UHFFFAOYSA-N 365.433 1.739 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(CCCc2ccccc2)CC1 53907330 XFAKNWFSAZUNAD-QGZVFWFLSA-N 350.484 1.198 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1nc(C)no1 104297663 ABNXWMHYNSEHJP-CQSZACIVSA-N 358.398 1.698 0 40 FDAB Cc1cc(F)ccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 47353104 AVKIKEZKRHHQCI-UHFFFAOYSA-N 358.421 1.868 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)/N=c2/sccn2C)C(C)C)cc1 104999946 JNXNATYUEVTPEM-VUAZUDAXSA-N 367.496 1.825 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 24979847 VMFHFAOVMOTISN-CQSZACIVSA-N 362.407 1.628 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2)n(C)c1 25448097 YIEBXJPQCZCXNL-UHFFFAOYSA-N 355.847 1.859 0 40 FDAB CCCNC(=O)CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 56194715 MDQAXJUVGAWNSF-ZDUSSCGKSA-N 364.421 1.712 0 40 FDAB Cn1cc2c(n1)C[C@H]1CC[C@H]2N1C(=O)CNC(=O)OCc1ccccc1 100777020 SRNHSENVZXHOLL-RHSMWYFYSA-N 354.410 1.935 0 40 FDAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 44621211 VXNQXRZVMUXHGT-ZWNOBZJWSA-N 362.398 1.889 0 40 FDAB COc1nc(N(C)C)nc(N(C#N)S(=O)(=O)c2ccccc2Cl)n1 26952042 YNOUIQWDQMCOCP-UHFFFAOYSA-N 368.806 1.276 0 40 FDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)OCCO2 3302500 SCGGXMMBQJIOKY-UHFFFAOYSA-N 356.165 1.960 0 40 FDAB COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c(C)c1C 78771474 NFMBGLBFSCVMFX-OAHLLOKOSA-N 356.488 1.701 0 40 FDAB COCCN(CCCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11565385 NGGIXMJIXSPIKP-UHFFFAOYSA-N 374.485 1.860 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)nn12 12848206 UGMKAFUESJZDCC-LBPRGKRZSA-N 371.372 1.776 0 40 FDAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccncc1 3520046 DGBJYRPLYAIGRQ-UHFFFAOYSA-N 351.395 1.732 0 40 FDAB CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1F 12919540 XPIIFVJWYOIXMF-HNNXBMFYSA-N 366.370 1.976 0 40 FDAB Cc1cc(=O)c(C(=O)NCc2nnc3ccccn23)nn1-c1ccccc1 18124337 PVLYDAMWGUKXSQ-UHFFFAOYSA-N 360.377 1.514 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3610431 CNOWQXDVEBGSJT-HXUWFJFHSA-N 367.405 1.779 0 40 FDAB CNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 13039092 OTZXLHOURJAUOU-UHFFFAOYSA-N 360.341 1.746 0 40 FDAB COc1ccccc1OC[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 70666350 XFWORLURTVWJAV-GVDBMIGSSA-N 370.449 1.716 0 40 FDAB biogenic O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ccc(F)cc2)CC1 8721114 PFWSCEWEFPXVIJ-UHFFFAOYSA-N 373.428 1.794 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCSc2nc(N)cc(N)n2)cc1 8720615 AAXOWAKCRGKFNN-UHFFFAOYSA-N 369.472 1.062 0 40 FDAB CCOC(=O)CCc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O 4294995 VMYWBUOMXIOWSV-UHFFFAOYSA-N 372.381 1.998 0 40 FDAB Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1 6345974 YIMZCBHPZQSYLD-JTQLQIEISA-N 362.245 1.440 0 40 FDAB CC(C)C(=O)N1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 14168524 NPFXOHNQDYORHB-KSSFIOAISA-N 350.463 1.245 0 40 FDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 71144955 KYMUEIBHWISDDC-JTQLQIEISA-N 363.277 1.688 0 40 FDAB CCOC(=O)N1CCC(OC(=O)CNC(=O)c2ccc(C)s2)CC1 66534710 BRAUEOMQBMEMRS-UHFFFAOYSA-N 354.428 1.950 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)NCc2ccccc2C)c2ccccc2O1 7255381 RYABSJZLCIUBJC-GOSISDBHSA-N 353.422 1.625 0 40 FDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408954822 NOPIETNTBHTBRP-OHQAAIJDSA-N 357.362 1.093 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O 7835677 MPSGGPZIYWELQS-UHFFFAOYSA-N 352.368 1.490 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCc1cc(-c2ccco2)on1 16276013 TYINOGKDKASPND-UHFFFAOYSA-N 352.306 1.783 0 40 FDAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)c1ccc[nH]1 16699074 SZOIWXPZXPTMGP-UHFFFAOYSA-N 356.378 1.910 0 40 FDAB Cc1cc(COC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)no1 84117161 FKCQPCKFBATAHN-HNNXBMFYSA-N 350.396 1.413 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1 25248953 VIPDNGNSNWFOSG-UHFFFAOYSA-N 366.483 1.608 0 40 FDAB CCOC(=O)c1sc2nc(C)nc(N3CCOC[C@@H]3C(N)=O)c2c1C 95467545 BYANUUMZZAENJU-SNVBAGLBSA-N 364.427 1.175 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC(CC(=O)NC)CC2)CC1=O 74510110 HMOOIEKQNZZWQF-KRWDZBQOSA-N 371.481 1.977 0 40 FDAB C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)C[C@@H](C)O1 409412767 AGVNXTGLCTWUGG-UMVBOHGHSA-N 360.458 1.775 0 40 FDAB CN1CCO[C@H](C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)C1 548024663 JOLOHAKHRISFJZ-GJZGRUSLSA-N 364.515 1.287 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408597383 VECACWANULJHPT-KBPBESRZSA-N 370.471 1.390 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 218120797 PHHKHNDRWBZAAR-GVDBMIGSSA-N 366.870 1.945 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1 38511286 VGHLWPGWENJXGE-LBPRGKRZSA-N 354.410 1.909 0 40 FDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCc3ccncc3)c(=O)c21 72335356 XPPKCBIWADJSKD-UHFFFAOYSA-N 365.393 1.984 0 40 FDAB CS(=O)(=O)N(Cc1noc(CCC(=O)O)n1)c1cccc(Cl)c1 78400935 LHQZCYOZDJTJEJ-UHFFFAOYSA-N 359.791 1.706 0 40 FDAB Cc1sc(C(=O)O)cc1CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 563454264 CXIITYKKRVTYBX-GFCCVEGCSA-N 360.501 1.858 0 40 FDAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 225099514 KNNZSVRTYRFZRU-UHFFFAOYSA-N 370.412 1.392 0 40 FDAB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)s1 40072715 QEFIRILWJQYDGD-UHFFFAOYSA-N 367.456 1.281 0 40 FDAB C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1=CCN(C)CC1 332833008 GUFDLFQXUUJDHF-QANKJYHBSA-N 359.474 1.096 0 40 FDAB O=C(c1ccco1)N1CCOC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 96051314 DKZIRNNGKHDSDP-LJQANCHMSA-N 374.368 1.693 0 40 FDAB CCn1nnc2c1CCN(C(=O)c1nn(C)c3ccccc13)[C@H]2COC 96198485 DCRKMNMKMFNBMJ-HNNXBMFYSA-N 354.414 1.571 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC2CC(F)(F)C2)C1 96110147 ZIVXPBUWJBTIIP-IAQYHMDHSA-N 357.426 1.814 0 40 FDAB COc1ccccc1OCCN1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 96230948 WYUBAQVXDYNEFF-CYBMUJFWSA-N 358.398 1.295 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21 96043360 VVZZDDMTOZQSFX-IXDOHACOSA-N 353.426 1.737 0 40 FDAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1 96144905 LWUDUKOWPKWWCY-INIZCTEOSA-N 374.485 1.768 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 95476376 SQCZSJRHVHZMDK-QRWLVFNGSA-N 370.453 1.725 0 40 FDAB CN1CC[C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@]2(C(=O)O)C1 91460507 YAUORXVPMRSMGF-LIRRHRJNSA-N 360.458 1.936 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3nccs3)C2)CN1c1ccccc1 96051266 BIQNAZMOXPYGHL-GOSISDBHSA-N 359.451 1.778 0 40 FDAB COc1ccccc1OCC(=O)N1CCOC[C@@H](CCN(C)C)[C@@H]1C 248086038 DOMDFJYAOILWQI-JKSUJKDBSA-N 350.459 1.889 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2cnc(C)cn2)C3)nc1 253600438 NERWCHHKZCJXMT-OAHLLOKOSA-N 368.441 1.617 0 40 FDAB CCn1nccc1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257281655 OQIVXVXAQBNAHK-AWEZNQCLSA-N 363.487 1.951 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@@H]2COc1ncccc1F 253489926 GWBPCNGCEZBSHP-CYBMUJFWSA-N 358.435 1.125 0 40 FDAB O=C1CO[C@H]2CN(Cc3cccc(F)c3F)C[C@@H]2N1C1CCOCC1 257242238 IBPZOBATWHYXQX-HOTGVXAUSA-N 352.381 1.555 0 40 FDAB Cc1cc2nc(C3CCN(C(=O)CN4CCOCC4)CC3)cc(C)n2n1 257257542 KQBJKMWUUDWKHC-UHFFFAOYSA-N 357.458 1.384 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)CCCn2nc(C)cc2C)CCO1 257251101 JPJYJTLCEITBTD-OAHLLOKOSA-N 358.446 1.712 0 40 FDAB CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)CC1 253573718 RTDVZFWUIMBJPG-UHFFFAOYSA-N 366.878 1.178 0 40 FDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257333205 YAQFLWSRGVQDTE-HNNXBMFYSA-N 358.446 1.346 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 253601291 OLEICQNTHLOYOO-HNNXBMFYSA-N 369.425 1.665 0 40 FDAB O=C(c1cccc(NCc2cnc3ccnn3c2)c1)N1CCC[C@H](O)C1 589595466 XNOQYSKQLCTLCS-KRWDZBQOSA-N 351.410 1.938 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)NCc1cn2c(n1)CCCC2 263790244 NHVSQJZMPBFRPC-UHFFFAOYSA-N 370.457 1.450 0 40 FDAB CN1CC[C@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260843602 ZYGCKGMYSGASFW-MEDUHNTESA-N 368.480 1.543 0 40 FDAB CC(C)Cc1nnc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1C 283253169 TXTPJLXYRMUQMH-UHFFFAOYSA-N 371.441 1.705 0 40 FDAB Cc1cn2c(n1)C[C@H](C(=O)N1CSC[C@@H]1C(=O)NCC(C)C)CC2 624965387 ONBKDIOTMSKPJF-ZIAGYGMSSA-N 350.488 1.428 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(C2CC2)n(C)n1 656857353 ASLWRNYIMOQQLQ-SJKOYZFVSA-N 356.430 1.264 0 40 FDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(C(N)=O)cn1C 674773719 SHUBXWJMTZXIOC-UHFFFAOYSA-N 354.410 1.288 0 40 FDAB Cc1ccc2cccnc2c1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)O 681571184 RERVQCRMGJCGEY-JSGCOSHPSA-N 364.423 1.701 0 40 FDAB Cn1nccc1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111466 BAILWODJWJLLGH-KRWDZBQOSA-N 351.410 1.709 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112611 UGBCCIZHVAYPLA-KRWDZBQOSA-N 366.462 1.909 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C[C@H](COCc3ccccn3)CN2C)C1 585093962 TZRAPQNZUXRSPL-HNNXBMFYSA-N 356.426 1.741 0 40 FDAB COC[C@]1(CC(=O)NCc2ccccc2Cl)CN(C(C)=O)CCO1 585280169 BYBRSRVVBGWWNN-KRWDZBQOSA-N 354.834 1.610 0 40 FDAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC[C@@H]1CCCO1 67126761 HVLMCPQNXYQDTF-AWEZNQCLSA-N 372.391 1.518 0 40 FDAB CNC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123433 MCPJJOXECQSHSN-AWEZNQCLSA-N 368.441 1.927 0 40 FDAB O=C1Cc2cc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2N1 12147725 HQYWRCOCHBMBRE-UHFFFAOYSA-N 359.363 1.313 0 40 FDAB COc1ccc(CN2CC[C@@H](c3nn(CCN)c4nccnc34)C2)cc1 19554901 KUSZROZRACRELO-OAHLLOKOSA-N 352.442 1.783 0 40 FDAB COc1ccc2[nH]c(C)c(C(=O)NCCS(=O)(=O)N3CCCC3)c2c1 19660734 DZXISOJATVVYJC-UHFFFAOYSA-N 365.455 1.640 0 40 FDAB COc1ccc(CC(=O)N2CCO[C@@H]3CCOC[C@@H]32)cc1OC(F)F 606446206 FSVYBBFLWYAEBR-QWHCGFSZSA-N 357.353 1.855 0 40 FDAB COc1cc(OC)cc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 4504500 MIHZKZUEGZXZRK-AWEZNQCLSA-N 355.456 1.989 0 40 FDAB NC(=O)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 5251064 HTOBLLAYUSWJCI-UHFFFAOYSA-N 350.378 1.564 0 40 FDAB Cn1cnc2c1c(=O)n(CCCSc1nc3ccccc3[nH]1)c(=O)n2C 5628259 NFJXFRWAABYBQA-UHFFFAOYSA-N 370.438 1.492 0 40 FDAB CSC[C@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 6639090 UYBLYALZQQEXGW-HZSPNIEDSA-N 350.440 1.803 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)nn12 1888881998 JXDDJALAYZDIKE-CHWSQXEVSA-N 367.388 1.175 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cscn5)C[C@H]4C3)ncnc21 1888900858 WLYXPPSXAHLJEN-PHIMTYICSA-N 355.427 1.028 0 40 FDAB O=C([C@@H]1CN(Cc2ccc(Br)cc2)CCO1)N1CCOCC1 1889130254 FJDHOCPKBXZMQX-HNNXBMFYSA-N 369.259 1.509 0 40 FDAB Cn1cc(C(=O)N2CCC(Oc3ncc(F)cn3)CC2)c(C(F)F)n1 1776009350 FPCFQPKYHWXHMP-UHFFFAOYSA-N 355.320 1.970 0 40 FDAB Cc1cnc(OC[C@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nc1 1776000919 PZZKDRAWKTYNRU-INIZCTEOSA-N 371.441 1.276 0 40 FDAB COCCOc1cc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)ccn1 240068121 SIVAZAXZPCUEKV-OAHLLOKOSA-N 369.421 1.890 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1C[C@@]2(CO1)CN(Cc1ccncc1)CCO2 2056226341 PLWUCGNAXURJDI-HIFRSBDPSA-N 359.348 1.120 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)on1 1614930674 KXOLMIPSWRORDV-CYBMUJFWSA-N 373.413 1.739 0 40 FDAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NC[C@@H]1CCCO1 4327751 JSQCYWGKEFQZMS-ZDUSSCGKSA-N 370.438 1.574 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1F 9571274 FRLRQUCBQZBHTI-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2C 9571630 BVQVFAWZKSSOFQ-UHFFFAOYSA-N 374.784 1.396 0 40 FDAB Cc1ncsc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730027 SVPYQZQWZGTVFF-JTQLQIEISA-N 356.473 1.136 0 40 FDAB COc1cc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)ncn1 2086854838 XYELRDYOLQQEEW-UHFFFAOYSA-N 353.304 1.752 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1 12461706 DFIGHUIBAWSHJD-KBPBESRZSA-N 364.409 1.957 0 40 FDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN(c2nccs2)CC1 40033834 YPFFKIWSDCCSRX-UHFFFAOYSA-N 369.450 1.592 0 40 FDAB O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC2CC2)C1 40074200 OEXOULUZBDGWDL-LJQANCHMSA-N 355.482 1.810 0 40 FDAB O=C(NCCCn1cccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 30164698 RJKGDLAWIZSJQJ-ZDUSSCGKSA-N 356.382 1.171 0 40 FDAB Cc1nn(C)c(C)c1CN1CCN(C(=O)c2nn(C)cc2Cl)CC1 20028537 SVSVTCWRFAUOCC-UHFFFAOYSA-N 350.854 1.382 0 40 FDAB CCCn1nc(C(=O)N(CC(N)=O)C2CCCC2)c2ccccc2c1=O 40114598 CRVONEOYBQPDET-UHFFFAOYSA-N 356.426 1.677 0 40 FDAB NC(=O)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCO1 50810471 SMCRCHKRJDQGLY-CQSZACIVSA-N 352.818 1.101 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)s1 31812962 JQTYTWPTJMCQOL-SNVBAGLBSA-N 362.411 1.685 0 40 FDAB CCc1nnsc1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29671265 WUCBLOIQTAZCAE-UHFFFAOYSA-N 374.422 1.427 0 40 FDAB CCN1CCc2nc(NC(=O)Cn3nnc4ccccc4c3=O)sc2C1 21296214 VYAVKKMZHPPJDS-UHFFFAOYSA-N 370.438 1.265 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)s1 102222752 ZYJSBKDHIBVFJT-MWDDYTRKSA-N 373.430 1.898 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)CC)cc1 32933289 QJODZBUXDHGDBE-UHFFFAOYSA-N 364.398 1.651 0 40 FDAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 52756448 XNNDYLUJTVLVQC-JSGCOSHPSA-N 368.455 1.294 0 40 FDAB O=C(Cn1ncc(-c2ccccc2)nc1=O)Nc1ccc2c(c1)OCO2 33324523 VQQPWOKBABYMPW-UHFFFAOYSA-N 350.334 1.673 0 40 FDAB C[C@@H]1CCCN(CCNC(=O)Cn2cc(Br)ccc2=O)C1 46880374 WSCXRCZZCYSXFP-GFCCVEGCSA-N 356.264 1.459 0 40 FDAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(N(C)C)nc2)C1=O 22394680 QINGUDWSNOHSOW-UHFFFAOYSA-N 361.446 1.977 0 40 FDAB CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 53647130 WJZUSTNEEQKWFI-UHFFFAOYSA-N 365.249 1.538 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCC(NC(=O)C3CC3)CC2)c1 42170430 PBRGAGLBFOSYGB-UHFFFAOYSA-N 368.455 1.383 0 40 FDAB CC(=O)N1CCC(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 22837340 LQMOOFXMZFWJTJ-UHFFFAOYSA-N 365.817 1.193 0 40 FDAB Cn1/c(=N\C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2ccccc21 104992812 LNFJKOGQJWMXNN-JOHDTDPOSA-N 357.435 1.842 0 40 FDAB CCOC(=O)c1sc(NC(=O)CSc2cnnc(O)n2)nc1C 15859744 OVFOGKMKJCRQAA-UHFFFAOYSA-N 355.401 1.250 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 23700421 GTZDHPKNXUYVJT-UONOGXRCSA-N 359.426 1.635 0 40 FDAB CO[C@](C)(C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccccc1 106771012 ATGQDTVZNTZMLN-IBGZPJMESA-N 358.442 1.716 0 40 FDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)o1 25739219 NWGDIHNQJIAGLS-KSLFURFDSA-N 367.471 1.367 0 40 FDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCNC(=O)Cc2cccc(F)c2)C1 58186209 LUZQXANIYJBDDH-KBPBESRZSA-N 371.478 1.297 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 58298440 DDRPTEKVHQQNDO-GJZGRUSLSA-N 356.470 1.942 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 58403313 TWJBAOAVPFGIRF-MRXNPFEDSA-N 361.442 1.874 0 40 FDAB COC(=O)c1cc(COC(=O)c2nn(C)c(=O)c3ccccc23)oc1C 3364753 HGNOXUDJQLQAQE-UHFFFAOYSA-N 356.334 1.979 0 40 FDAB NC(=O)CN1CCC(Nc2ncnc3c2cnn3-c2ccc(F)cc2)CC1 12822197 UAYWEHGJPWHLAS-UHFFFAOYSA-N 369.404 1.316 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 12893698 XMIYUQHFEQWSPT-SFHVURJKSA-N 359.470 1.975 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CSC(=S)N2CCOCC2)cc1 3416924 GJVKNAFKSFEUEB-UHFFFAOYSA-N 368.480 1.827 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCCc2cccc(F)c2)cc1 16236341 JPYBSEORUJDTFO-UHFFFAOYSA-N 364.442 1.890 0 40 FDAB C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O 4085620 XUHNGXZBEKKOFD-QWRGUYRKSA-N 366.373 1.606 0 40 FDAB biogenic O=C(N[C@H]1CCCNC1=O)c1[nH]nc(-c2ccccc2)c1Br 64099295 FNBPBSXRWRNWSD-JTQLQIEISA-N 363.215 1.848 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(Cl)c1Cl 13581996 CPQMTPSTMVNYED-UHFFFAOYSA-N 350.183 1.479 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C1 8319154 CVYZWXMSUWJNFE-QWRGUYRKSA-N 353.444 1.449 0 40 FDAB CN(C(=O)/C=C/c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 8325567 HTNZEWYJBCNTQA-YVZNUBBCSA-N 351.424 1.507 0 40 FDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1nnc2ccccn12 6648422 RRCDYAXFEZXNHB-UHFFFAOYSA-N 362.393 1.605 0 40 FDAB CN(C)CCCNC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 9184469 CWROHPLKZXMTCZ-UHFFFAOYSA-N 360.458 1.318 0 40 FDAB Cc1ccc(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 9155134 GOBPZEIPHYWYGW-LBPRGKRZSA-N 350.396 1.066 0 40 FDAB Cn1c(CNC(=O)NCCCOCc2ccco2)nc2ccccc2c1=O 96013221 MGLKNUMCHNOBFT-UHFFFAOYSA-N 370.409 1.933 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2nc[nH]c(=O)c2c1 96117440 KHEGKQJIHRLIKI-UHFFFAOYSA-N 362.349 1.057 0 40 FDAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 9365632 DKEZVAOETDSKMN-KRWDZBQOSA-N 352.435 1.502 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1C[C@H]1C1CC1 84445295 ZPDOTAHXYXJLJZ-KBPBESRZSA-N 370.496 1.431 0 40 FDAB CCC(=O)N1CCCN(CC[C@H](C)N2CCCN(C(=O)CC)CC2)CC1 78971068 DIOITQDSKGIMQA-SFHVURJKSA-N 366.550 1.654 0 40 FDAB Cc1cc(C)nc(NCCC(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 79495062 GYCHOKQEBIEYQD-UHFFFAOYSA-N 352.402 1.725 0 40 FDAB Cc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2c(C)noc2n1 9954531 QCLTZOUENQEKPN-UHFFFAOYSA-N 374.378 1.796 0 40 FDAB COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(-n3cncn3)c(C)c2)nn1 89591416 UWAVYYUSOPFKNS-GFCCVEGCSA-N 370.369 1.258 0 40 FDAB Cc1nc(C(=O)NC[C@@H]2CN(c3ncc(F)cn3)Cc3ccnn32)cs1 306140410 USZBXCODHSBTEO-CYBMUJFWSA-N 373.417 1.568 0 40 FDAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccc3F)C2)cn1 306136246 POBFUXZEFATYJL-AWEZNQCLSA-N 368.372 1.619 0 40 FDAB O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccn2c(O)nnc12 508832613 DJLVTZBVKHTQTG-GFCCVEGCSA-N 351.366 1.250 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408957726 VPRFYICDFQHRRI-FEHORTKBSA-N 371.389 1.483 0 40 FDAB O=C(Cn1ncccc1=O)N1CCN(c2ccc(F)c(Cl)c2)CC1 38547185 NLJFPJKPOYEDRB-UHFFFAOYSA-N 350.781 1.385 0 40 FDAB Cc1ncsc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 72346978 CVDVCJNMHWCGHC-UHFFFAOYSA-N 373.482 1.970 0 40 FDAB Cc1nnnn1-c1cccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c1 72400743 XCOGQZAJOCWGMX-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB COc1ccccc1CC(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346935 IPIMASBNSNQDHE-UHFFFAOYSA-N 368.437 1.506 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655972 XMGHJDPCTHZCBM-CQSZACIVSA-N 352.398 1.788 0 40 FDAB COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340209 IMDZHVSIBMYYHW-VCBZYWHSSA-N 363.385 1.854 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)CC1 72265292 ZJLAMOCQZVALFA-UHFFFAOYSA-N 368.386 1.928 0 40 FDAB COc1ccc(CCNC(=O)C2CCC(Cn3cnnn3)CC2)cc1OC 40268257 PZKPALAPEKUJSS-UHFFFAOYSA-N 373.457 1.856 0 40 FDAB COCCN1CC2(CCN(C(=O)N3CCCC3)CC2)[C@H](COC)C1=O 96208236 TWJAMDPUYMNMRM-OAHLLOKOSA-N 353.463 1.036 0 40 FDAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](C)O 96521158 LYTSPHYFTSMJDL-UHNVWZDZSA-N 357.007 1.286 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 231644364 GPQUNEGWTVMHMT-DEXNDLTESA-N 354.362 1.661 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96043038 FDGMSBNGTCJMQS-ZYSHUDEJSA-N 359.470 1.698 0 40 FDAB O=C(NCCCN1CCOCC1)c1ccn(-c2ccc3ccccn23)n1 96038047 SERYJBDTDMGGEW-UHFFFAOYSA-N 353.426 1.577 0 40 FDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3ccc(C)nn3)CO2)C1 96223219 PDAVIBPCRDEVFP-HOCLYGCPSA-N 354.476 1.560 0 40 FDAB C[C@@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)c1nnc2ccccn12 332069502 UCUSGSDFFOMNFS-SNVBAGLBSA-N 357.336 1.889 0 40 FDAB CC[C@H](C)[C@@H](OC)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 331673820 QVNZDLUQOKYRKE-YTQUADARSA-N 373.497 1.997 0 40 FDAB Cc1cccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)n1 96159176 IXXAGBGHKNOOGT-UHFFFAOYSA-N 355.442 1.522 0 40 FDAB Cc1cccc(CO[C@H]2CSC3(C2)CN(S(=O)(=O)C2CC2)C3)n1 247863366 GYZYAMZCCOFOEC-CQSZACIVSA-N 354.497 1.959 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccnn21 247953958 NJYINPNKCFUGQF-CYBMUJFWSA-N 372.816 1.517 0 40 FDAB O=S(=O)(C1CCCCC1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257325391 WSTHVZWQJFKZFS-CYBMUJFWSA-N 355.460 1.336 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4scnc4C)C3)ccnc12 257251213 JPWMDEAKIKLHRT-LLVKDONJSA-N 370.438 1.484 0 40 FDAB Cc1ncncc1C(=O)N1CCC(c2cncc(-c3cncn3C)n2)CC1 257274009 NJEAIGLFFYQRDD-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB Cc1noc([C@H]2CN(C(=O)NCc3cccnc3N(C)C)C[C@@H](C)O2)n1 585123204 SGIQTKYBGXKJHZ-BXUZGUMPSA-N 360.418 1.511 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2cc(C)ccc2OC)CCO1 257267302 MGRDEPKUZGBSOG-MRXNPFEDSA-N 356.426 1.978 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)C1CCC(F)(F)CC1 257307340 SYGIDTDURKCPTB-INIZCTEOSA-N 354.401 1.702 0 40 FDAB C[C@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 678024999 DLAMHZRBEXHYRI-YOEHRIQHSA-N 370.446 1.718 0 40 FDAB NC(=O)c1ccnc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)c1 72433077 LRMLPUMZKZWEBB-UHFFFAOYSA-N 359.357 1.822 0 40 FDAB C[C@@H]1c2c(F)cccc2CCN1C(=O)Cn1cnc2c(cnn2C)c1=O 606319355 HCRRWHORGOPVAN-LLVKDONJSA-N 355.373 1.415 0 40 FDAB COc1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)c(Br)c1 643747936 SROLRKROFKVFOJ-OAHLLOKOSA-N 357.248 1.660 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2cncc(OCc3ccccc3)c2)C1 643807970 LRLVTUULVVLAKJ-HXUWFJFHSA-N 355.438 1.863 0 40 FDAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1Cn2c(C)nnc2CN1C 644330511 NIVWLMGBFLIFIY-KRWDZBQOSA-N 352.442 1.549 0 40 FDAB C[C@@H]1CC(CCNC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)C[C@@H](C)O1 644501812 VJBRSTCZWSHKKV-CLCXKQKWSA-N 369.506 1.595 0 40 FDAB COC(=O)CS(=O)(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1 390825972 VJUAQKJJISCXGG-SNAWJCMRSA-N 357.453 1.340 0 40 FDAB Cn1nc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)c2c1CCC2 585275255 BEXSYAVPFMXOLS-IBGZPJMESA-N 359.401 1.704 0 40 FDAB OCCOc1cccc(CN2CCO[C@](CO)(Cc3ccccc3)C2)c1 585272124 LDJPHEZFZVAAHG-OAQYLSRUSA-N 357.450 1.864 0 40 FDAB Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2cc(C)on2)n1 585094713 ISLYJKKEFXUHHD-HNNXBMFYSA-N 354.414 1.821 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)CC1CC1 585097272 HLQZAQFIJHZOOK-CQSZACIVSA-N 367.453 1.840 0 40 FDAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCCCCC3)snc2c1=O 49409835 BDUWWHYHRBGZNW-UHFFFAOYSA-N 350.444 1.963 0 40 FDAB COCC(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594449 AVNNJLYLCOOXTO-HNNXBMFYSA-N 361.442 1.300 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@@H]2[C@H](CO)O[C@@H](c3ccccc3)O[C@@H]12 5339434 WZACICAIHONNQP-KYRVCDIISA-N 358.390 1.937 0 40 FDAB in-vitro O=C1NC2=C(C(=O)N(CCN3CCCCC3)C2)[C@@H](c2ccc(F)cc2)N1 12144531 LQFCEEVNYIDHEG-QGZVFWFLSA-N 358.417 1.762 0 40 FDAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1F 12144572 IGDHJAQYKWONTL-UHFFFAOYSA-N 371.416 1.506 0 40 FDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C[C@H]4CCCO4)c3n2)cc1 12145914 MAOGBAMIEVIUJX-GFCCVEGCSA-N 353.382 1.373 0 40 FDAB O=C(O)CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 13087120 KXFXADUVAAROCT-UHFFFAOYSA-N 363.391 1.911 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCN(C)C 13595960 MQARZIFTMIFEAG-UHFFFAOYSA-N 369.487 1.161 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccn(C)n1 14899741 AUJRFQKPAKLLQX-UHFFFAOYSA-N 353.308 1.675 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 19021444 SXOZYUBTJCXXFD-ZDUSSCGKSA-N 358.446 1.324 0 40 FDAB COc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)c(OC)c1OC 19552731 JWWCPPNTRUMDFW-CVEARBPZSA-N 350.459 1.743 0 40 FDAB CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](C)n2nc(C)c(C)c2C)s1 19556363 PKTIRTZHZJUIJX-QMMMGPOBSA-N 371.488 1.763 0 40 FDAB C[C@@H](c1cc(O)nc(N2CCN(C)CC2)n1)n1ncc2ccccc2c1=O 19717495 ICMGGKIHBRHMJW-ZDUSSCGKSA-N 366.425 1.253 0 40 FDAB Cn1ncc2c(N3CC[C@H](COc4ccc(C5CC5)nn4)C3)ncnc21 1888881946 WGGKYFFELLFZHR-LBPRGKRZSA-N 351.414 1.936 0 40 FDAB CN1CCC(NCc2noc([C@@H]3CCC(=O)N3Cc3ccncc3)n2)CC1 1775963873 HTQSQJVHUHHVRW-INIZCTEOSA-N 370.457 1.512 0 40 FDAB biogenic,in-vitro Cn1ccnc1C(=O)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037840650 POXUWVICBPRWJI-SFHVURJKSA-N 358.373 1.207 0 40 FDAB CCCc1cc(C(=O)N2CCOC[C@@](O)(COc3cccc(C)c3)C2)n[nH]1 2037938510 WNPPOCIFJZASIK-HXUWFJFHSA-N 373.453 1.953 0 40 FDAB COc1ccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c(OC)c1 2056214941 CASZKQOGPCRSCC-UHFFFAOYSA-N 361.442 1.970 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)CC1(O)CCC1)C2 1565553484 ZZWBGOBZCXFVDA-LPHOPBHVSA-N 357.454 1.584 0 40 FDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N[C@@H](C)COC)c2ccccc21 3007570 SSUMZJUCQBKOKS-AWEZNQCLSA-N 373.453 1.844 0 40 FDAB Cc1ccc2c(c1)N(C(=O)CN1C=NS(=O)(=O)c3ccccc31)CCO2 7572323 TVENVERRNPHMCP-UHFFFAOYSA-N 371.418 1.958 0 40 FDAB CCOC(=O)CC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 12361153 GOIQTBBWJYHHOV-UHFFFAOYSA-N 360.388 1.551 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccncc2)cs1 13792622 ACOZGEFIURBKHM-CYBMUJFWSA-N 366.468 1.958 0 40 FDAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)NC1CC1 22906698 NJHCKNQMTGNVMO-LJQANCHMSA-N 364.449 1.576 0 40 FDAB COc1nccnc1N(C)CC1CCN(c2cc(C)nc3ncnn23)CC1 1775973747 NRFYZMCKMADUEB-UHFFFAOYSA-N 368.445 1.584 0 40 FDAB COc1ccc(O[C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 225442562 HMPBATDJWZRNEE-SECBINFHSA-N 355.338 1.221 0 40 FDAB C[C@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 17113770 YPGRYFXPRAKHIL-SDBXPKJASA-N 366.215 1.280 0 40 FDAB COc1ccc(N2C(=O)CN(CCC(C)C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 11983930 ANDPXSQZOZVBOZ-IAGOWNOFSA-N 366.483 1.556 0 40 FDAB CSCC[C@@H](NC(=O)C1CC1)C(=O)NCCCn1nc(C)cc1C 40072658 JMCNDZYGLOSNPO-OAHLLOKOSA-N 352.504 1.654 0 40 FDAB NS(=O)(=O)N1CCc2ccc(NC(=O)Cc3noc4ccccc34)cc21 40150920 LNXRVDWAQIYWNR-UHFFFAOYSA-N 372.406 1.575 0 40 FDAB COC(=O)c1cccc(Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)c1 40286009 FQTRQTRLHLOJMD-UHFFFAOYSA-N 364.361 1.868 0 40 FDAB CCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(CCOC)c1=O 100227249 OMCDJZRKPLNPJC-UHFFFAOYSA-N 369.377 1.987 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100552529 BTVMWZCLBJEHHI-LUVWLHFXSA-N 371.389 1.452 0 40 FDAB COCCNC(=O)CN(C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 50959123 CEHLQTRDIMVRSB-UHFFFAOYSA-N 360.433 1.695 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 101337172 WOYWSSPTERQERI-ROUUACIJSA-N 367.449 1.595 0 40 FDAB Cc1cccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 4248523 UUUXPXWUTDIABC-UHFFFAOYSA-N 373.434 1.935 0 40 FDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3cccc(OC)c3)nn2c1=O 101266913 PIVWYHNBEUPEQI-UHFFFAOYSA-N 357.370 1.062 0 40 FDAB O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CCCCNC2=O)CCCC1 47212507 NGYFROXEHKOBSD-MRXNPFEDSA-N 372.469 1.584 0 40 FDAB CCCn1nc(C(=O)NC[C@H](C(CC)CC)N2CCOCC2)ccc1=O 22898465 WBKMBTMXZWVXKS-QGZVFWFLSA-N 364.490 1.520 0 40 FDAB CCN(CC)[C@H](CNC(=O)[C@@H]1COCCN1C(C)=O)c1ccsc1 89967776 LLYBTISYGLBJFT-CVEARBPZSA-N 353.488 1.495 0 40 FDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)n1 106179892 PPJUTKDPDFRMOO-MRXNPFEDSA-N 352.442 1.815 0 40 FDAB COC(=O)c1oc(CN2CCN(CC(=O)NCC(C)C)CC2)cc1C 25931364 MVKIYORPZCCVHJ-UHFFFAOYSA-N 351.447 1.264 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3280600 LXVPBNIRLREUDL-LJQANCHMSA-N 367.361 1.821 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 44621202 VXNQXRZVMUXHGT-GWCFXTLKSA-N 362.398 1.889 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccnn1C1CCCC1 58264441 COUNNOPPKNSUOW-AWEZNQCLSA-N 366.487 1.917 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccn(Cc3cccnc3)n2)cc1 58264805 BJGQSIGNXZOLNP-UHFFFAOYSA-N 371.422 1.487 0 40 FDAB NC(=O)[C@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1 58414813 PGYCDHZDSQBCGC-GOSISDBHSA-N 361.401 1.853 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2cc[nH]n2)C(C)C)c1 48236062 IXSNDENDYXKULR-INIZCTEOSA-N 360.414 1.498 0 40 FDAB CS(=O)(=O)Nc1nc(CC(=O)N[C@@H]2CCOc3ccccc32)cs1 48290297 LHMBNKYEOLGLRP-GFCCVEGCSA-N 367.452 1.697 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)N2CCC3(CC2)OCCO3)cc1F 45580503 PLDJFXXBCORLCW-UHFFFAOYSA-N 365.405 1.412 0 40 FDAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)N1CCNC1=O 11372218 PPVFUDLOHLHATK-UHFFFAOYSA-N 350.448 1.247 0 40 FDAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 29088057 ZVBQQAZDAAHTNJ-UHFFFAOYSA-N 373.478 1.518 0 40 FDAB CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 12969819 XLGZWYILUKDRCO-UHFFFAOYSA-N 365.499 1.606 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)nn12 13294843 JZYYEXVVXNSCKX-UHFFFAOYSA-N 372.410 1.225 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C(N)=O)cc2)c1C 14116884 PAYRYXDJFHFWRQ-NSHDSACASA-N 372.377 1.945 0 40 FDAB CCc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 25470030 DUOLEIKHHYDLMN-KRWDZBQOSA-N 369.465 1.544 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC[C@H]1CCCO1 5786093 CWPWUUBUUDBQEF-WBVHZDCISA-N 362.426 1.279 0 40 FDAB COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCCCC[C@@H]32)C1=O 8997195 RRPYSQVNBDELNG-UZLBHIALSA-N 371.437 1.703 0 40 FDAB CC(C)N(C(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 96905155 KSDWDEFUWNULPA-UHFFFAOYSA-N 358.486 1.324 0 40 FDAB C[C@@H](O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 96003345 VTQJIWSSCFKIHY-KDJLYAGDSA-N 352.456 1.196 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 9515021 MSDNDQLOFRKISB-LBPRGKRZSA-N 355.460 1.368 0 40 FDAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 79094411 OSVSPBDWGWDXGH-UHFFFAOYSA-N 367.471 1.738 0 40 FDAB COC(=O)c1cccnc1C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 95445142 WGLCGTDSDJFMSL-ZDUSSCGKSA-N 361.442 1.881 0 40 FDAB CCn1ccnc1CN1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972360 BFLMUFQFJAIMJQ-CQSZACIVSA-N 373.423 1.574 0 40 FDAB O=C1CCCN1CCN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999688 BUFSFQVJFLWPBO-LJQANCHMSA-N 370.497 1.422 0 40 FDAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(Br)n1 89626703 YWXNMRMIOOSLFT-ZDUSSCGKSA-N 362.227 1.979 0 40 FDAB COc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(OC)c1 408620370 IMDYNSAOZKEKBX-QOPCPSDHSA-N 353.374 1.897 0 40 FDAB Cc1ccccc1N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 41946609 ISKXHMKVRRLCER-UHFFFAOYSA-N 362.437 1.997 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72338972 HRTAGXZCVMIAKW-XBEYBXDOSA-N 372.421 1.621 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)NC1C2CC3CC(C2)CC1C3 36612405 BBDREFUFOQIOEC-UHFFFAOYSA-N 372.469 1.447 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(Cl)c1 36612400 OOMFVOVDYXGAFE-UHFFFAOYSA-N 366.780 1.937 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 40268185 VNRZHLQHBOBDBQ-RDBSUJKOSA-N 352.398 1.238 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1C 224191102 JYCIDSBNPFHJTJ-UHFFFAOYSA-N 364.471 1.955 0 40 FDAB CN1CCN(C(=O)COc2nn(C)c3ccc(Br)cc23)CC1 227154018 DJYZYHYDNJGIHR-UHFFFAOYSA-N 367.247 1.489 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccccc2)s1 225572430 DEYCLDYFIQFABW-JTQLQIEISA-N 370.456 1.632 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2O1 96043009 VOOCWIMBBYGAGQ-CWRNSKLLSA-N 357.389 1.311 0 40 FDAB CCc1cnc(N2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)nc1 96249879 MVUQCGWKTJBRMB-NVXWUHKLSA-N 356.426 2.000 0 40 FDAB Cc1ccc(CN2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)s1 248088971 KZGGZSONGPCHIO-CYBMUJFWSA-N 354.501 1.749 0 40 FDAB CCn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)cn1 248127353 MANFUWZGENMZPF-JFIYKMOQSA-N 357.458 1.118 0 40 FDAB COc1ccccc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O 257220812 DMGKRMPMGZOYEH-KRWDZBQOSA-N 353.422 1.507 0 40 FDAB Cc1cc(C[C@@H]2COCCN(S(=O)(=O)c3cccs3)C2)ncn1 257235867 GZXANRRDOBYOCG-ZDUSSCGKSA-N 353.469 1.726 0 40 FDAB C[C@@H]1CCN(Cc2ccccc2)C[C@H]1N=c1nc(O)c2cnn(C)c2[nH]1 585138476 UWXGCXIVCPSQCB-CZUORRHYSA-N 352.442 1.813 0 40 FDAB CCc1onc(C)c1-c1cccc([C@@H]2CN(S(C)(=O)=O)CCO2)n1 257321695 WCUDQRKCKRUSTG-HNNXBMFYSA-N 351.428 1.940 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2c(OC)cccc2OC)C1 260752529 YQSMARRGWQQSLH-ZDUSSCGKSA-N 370.471 1.382 0 40 FDAB COc1cccc(C(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)c1F 1775957612 DKPBMXFUXODHBX-DZGCQCFKSA-N 350.390 1.719 0 40 FDAB CCOP(=O)(CC(=O)c1c(O)nc(=O)n(CC(C)C)c1N)OCC 1776003792 BQWXINZTJCSHOW-UHFFFAOYSA-N 361.335 1.636 0 40 FDAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2cc(C)nnc2N(C)C)cn1 623091467 CUPZCJDEMZYRPJ-CJNGLKHVSA-N 372.429 1.906 0 40 FDAB CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)ccn(C)c2=O)C1 626431286 MVMTXAVOJQZOAE-OWCLPIDISA-N 362.474 1.799 0 40 FDAB O=C(CN1CCC[C@@H](n2ccnn2)CC1)N1CCC(c2ccccc2)=N1 639814835 IDQHPIFPTAREKS-QGZVFWFLSA-N 352.442 1.942 0 40 FDAB Cc1cc(=N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)[nH]c(C2CC2)n1 643700366 YNZLYMAALYLHHF-CQSZACIVSA-N 356.430 1.769 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)NCCc3ccco3)CC(=O)N2C2CC2)cnn1C 665394207 HFUWPOJBZHKETP-YJBOKZPZSA-N 356.426 1.732 0 40 FDAB Cc1ccc(-c2ccnc(N3CCc4c(c(CO)nn4C)C3)n2)c(C)n1 71638864 ZNQFBARKKKCMJF-UHFFFAOYSA-N 350.426 1.944 0 40 FDAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575425994 KDKLNUWESCSIQQ-STQMWFEESA-N 361.485 1.672 0 40 FDAB Cn1cc(C(=O)N2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)c(C(F)F)n1 585108678 VYAWHOGGBFRYQQ-XDTLVQLUSA-N 368.384 1.256 0 40 FDAB CO[C@]1(COc2ccccc2C)CCN(CC(=O)Nc2ccn(C)n2)C1 585278014 ZQSQWDNGUWOILC-LJQANCHMSA-N 358.442 1.837 0 40 FDAB Cc1nc(/C=C/C(=O)N2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)cs1 585290264 PLEIDJAQYFGTEW-WFVIONGDSA-N 351.472 1.589 0 40 FDAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106167 ULYMUDMHAFIVIM-JQHSSLGASA-N 370.497 1.780 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cc(-c2cccs2)on1 675008175 GMUPBFWTYOJFET-UHFFFAOYSA-N 363.395 1.299 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3cnc(C4CCNCC4)[nH]3)C2)no1 685941951 JZDSNJQWSSOASK-CYBMUJFWSA-N 358.446 1.663 0 40 FDAB O=S1(=O)CCC(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 58420344 GCPYAEFAOFIJJQ-QWRGUYRKSA-N 363.423 1.604 0 40 FDAB CN(CC1CC1)C(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(CF)cc1 1615611015 IEIMHXVOTVGGNM-ZIFCJYIRSA-N 359.445 1.827 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595949 UWYSOLQJUPACRR-RYRKJORJSA-N 373.453 1.599 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12087266 SHEDVXCOPDOLID-DZJZLKLXSA-N 368.433 1.737 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(O)(c2ccccn2)CC1 12117444 SQRVXTZSVYHJOQ-UHFFFAOYSA-N 364.409 1.110 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C[C@@H]1CCS(=O)(=O)C1 12155501 BERCSXXJWXQSIK-GUTXKFCHSA-N 374.466 1.451 0 40 FDAB COc1ccc2nc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)sc2c1 13789812 FINLRTFFPOENHG-SNVBAGLBSA-N 369.468 1.915 0 40 FDAB COc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc(OC)c1OC 15734221 NXRQUIQLDVAAAF-UHFFFAOYSA-N 374.349 1.979 0 40 FDAB COc1ccc(NC(=O)Cc2nc3[nH]c4c(c(=O)n3n2)CCCC4)cc1 16217125 SVDNLRKNHLTRPF-UHFFFAOYSA-N 353.382 1.486 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500709 VLEIQZZQYNRKKM-WZTLGTBRSA-N 364.829 1.927 0 40 FDAB Cc1nc2ccccn2c1CNCc1cc(O)nc(N2CCOCC2)n1 19555035 CPXQZKQPBYEPGS-UHFFFAOYSA-N 354.414 1.265 0 40 FDAB CNc1nc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc2c1CCN(C)C2 19711548 KIDOCQKQBKOLPI-HNNXBMFYSA-N 373.501 1.781 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@H](NC(=O)c3cnc(C)cn3)CC2)n1 19749093 LGARBKAYNAYRAC-AWEZNQCLSA-N 356.430 1.426 0 40 FDAB COc1c(O)nc(O)nc1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 667962803 BLCWYGNEUKBPGF-CYBMUJFWSA-N 372.425 1.633 0 40 FDAB CN(C)C1CCC2(CC1)CN(C(=O)c1nonc1N)Cc1ccccc1O2 19583925 BEAKLJVXPGDNQU-UHFFFAOYSA-N 371.441 1.930 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)nc1 1888854153 BIFKYSGTRKHFAE-YZVOILCLSA-N 358.442 1.319 0 40 FDAB CCc1cc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)ncn1 1888859994 KSOXUSZRXWSRDW-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncn5C)C[C@H]4C3)n1)CCC2 1888866233 DGRCOCHXOAWERQ-OKILXGFUSA-N 352.442 1.216 0 40 FDAB Cc1nc2ncnn2c(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1C 1888890509 UAWISJOIRCWMCJ-HUUCEWRRSA-N 362.393 1.367 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)[C@]2(CCN(C)C2=O)C1 1565545444 FFLZBCSXYGHELH-LJQANCHMSA-N 365.493 1.917 0 40 FDAB Cc1nnc([C@@H]2CN(C)C(=O)[C@H]3CCN(C(=O)C4CC(C)C4)CC[C@H]32)o1 1565550083 OSQQKGNMPCKOAC-XBXNRMIXSA-N 360.458 1.835 0 40 FDAB CCOC(=O)N1CCC(NC(=O)C(=O)NCCC2=CCCCC2)CC1 38717830 UHEVCSJQSOMRSH-UHFFFAOYSA-N 351.447 1.730 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC(Oc2ccnc(C)n2)CC1 585334548 MROZSHNFHSTZOQ-OAHLLOKOSA-N 366.487 1.413 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CCC(N2C(=O)CSC2=O)CC1 206982445 UQTBFWQMNWRNAX-UHFFFAOYSA-N 362.407 1.773 0 40 FDAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 244955859 GCMOILRDVRHIAO-GOSISDBHSA-N 369.396 1.783 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(N3CCCC3)c1)CS2 40050181 OIJIDDPBCJPEQE-RDTXWAMCSA-N 360.483 1.752 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 40094721 XJJLXYPTWFJEIP-LBPRGKRZSA-N 357.303 1.891 0 40 FDAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCCCn1cccn1 30169183 IMWIJLQLRYXWMB-UHFFFAOYSA-N 352.341 1.421 0 40 FDAB COC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O 1675919 ALDQYCRVWHGEFT-LSDHHAIUSA-N 372.329 1.695 0 40 FDAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 3334239 SXTDTSNKWOJGGJ-LBPRGKRZSA-N 367.361 1.058 0 40 FDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4288769 OYNFNNYKCDUWOX-IBGZPJMESA-N 355.394 1.839 0 40 FDAB COc1ccccc1C(=O)Nc1cc2c(cc1C)n(C)c(=O)c(=O)n2C 6916730 YFABRWMLYVHPDY-UHFFFAOYSA-N 353.378 1.807 0 40 FDAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 7806968 QSHOTWIEQJSSEO-RYUDHWBXSA-N 358.394 1.662 0 40 FDAB CCn1c(=O)n(CC(=O)N[C@H](C(N)=O)c2ccccc2)c2ccccc21 10268999 NPACFHMAERITCU-KRWDZBQOSA-N 352.394 1.166 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCSCC[C@@]56[C@H]2[C@@H]43 104287664 LDQLPMQXZGNMGH-ZOHDJHSCSA-N 365.458 1.916 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCCOc2ccc(F)cc2)n(C)c1=O 8324467 TVKNGLJXUADBSI-UHFFFAOYSA-N 366.780 1.695 0 40 FDAB COc1ccc(C(=O)NCCCO)cc1S(=O)(=O)NC1CCCCC1 8475755 RXWMREVNHZXTQW-UHFFFAOYSA-N 370.471 1.418 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCO2 57440459 UPCYAWPMBVRZAJ-UHFFFAOYSA-N 357.366 1.405 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)c1cc2ncc(Br)cn2n1 2792148 KBIYLSPFVOIWGB-UHFFFAOYSA-N 363.219 1.772 0 40 FDAB Cc1cnc(NC(=O)CN2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)s1 100214076 GSJGFJLCLYBHQC-HUUCEWRRSA-N 364.515 1.823 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)NCC1(c2ccccc2)CCCC1 22376943 QTUAZIMVNUSIGX-UHFFFAOYSA-N 354.410 1.844 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H]1COc2ccccc2C1 104080711 VHSIHOAIHAZKCT-GTZSGAPKSA-N 366.417 1.161 0 40 FDAB CN(C)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccsc1 42476021 ZIFJYIFYSZOBQB-QWHCGFSZSA-N 362.542 1.387 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nncs3)n2)cc1OC 61720820 SZHSPTRAZCSLSV-UHFFFAOYSA-N 373.394 1.418 0 40 FDAB CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(CC)c1C(N)=O 10149882 JYBRAUIDGNWISX-UHFFFAOYSA-N 371.484 1.874 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)CNC(=O)c1ccc(Br)o1 58192664 PKXRYJSRGTWBPV-SECBINFHSA-N 374.235 1.193 0 40 FDAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1 58190822 OBWJRHBKBLMFDH-UHFFFAOYSA-N 359.407 1.658 0 40 FDAB COc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C 20853934 UKHGECGSZYDCDE-UHFFFAOYSA-N 365.386 1.826 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2266342 MJBIDOPYUWLRKA-UHFFFAOYSA-N 356.334 1.457 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1cccs1 26464894 NKFVHINIPUVCDY-UHFFFAOYSA-N 374.466 1.602 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C(N)=O)cc1 10900900 JEIGHXKNTUFMGC-UHFFFAOYSA-N 353.422 1.894 0 40 FDAB O=C(NCCC(=O)O[C@H]1CCOC1=O)NC12CC3CC(CC(C3)C1)C2 11440953 DFAVIUYUBXXNPZ-RZYZSWTKSA-N 350.415 1.503 0 40 FDAB COCCNc1nnc(SCC(=O)NC(=O)C2CCCCC2)s1 3405564 WOHVSGVCRIWPRH-UHFFFAOYSA-N 358.489 1.912 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505581 MWZUSHIINZGLCL-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1NC(C)=O 5173651 OJSQANBDJIFLCO-UHFFFAOYSA-N 352.416 1.805 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)NC1CCCC1 5352623 CZPOJWIYAPOWHK-UHFFFAOYSA-N 360.443 1.831 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)c2ccc(F)cc2N1 14159398 NWQYPTKZLBCHKG-CQSZACIVSA-N 355.373 1.390 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccco1 7279045 FKXUFTHWDDWZTH-CWTRNNRKSA-N 353.378 1.850 0 40 FDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 8921956 ORZZEPQUOVRROZ-KYKKZPFNSA-N 364.475 1.662 0 40 FDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1ccc2c(c1)OCCO2 71286098 PIRBGJJEECPYTQ-UHFFFAOYSA-N 359.407 1.443 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H]1CCCc2ccccc21 7979588 VOWLBHJHNFHZCK-HNNXBMFYSA-N 360.435 1.955 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cnn(C)c1C)CC(O)=N2 71280176 VTTYPXJTTIDIJV-NWDGAFQWSA-N 363.443 1.717 0 40 FDAB COc1ccc(C)cc1[C@H](C)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 8128443 AOXOYUQWQBESFA-ZDUSSCGKSA-N 367.405 1.884 0 40 FDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 9862446 FLXXXWYLIRGCCV-OXQOHEQNSA-N 373.453 1.872 0 40 FDAB CCn1c(NC(=O)c2cc(S(=O)(=O)NC)cn2C)nc2ccccc21 21592768 UTBBNCZDTHCTRP-UHFFFAOYSA-N 361.427 1.555 0 40 FDAB CC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 306142277 WVJPBXUDEJRFBG-QFBILLFUSA-N 362.426 1.301 0 40 FDAB C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 83888494 GMLQXRJWINMUBP-NJZAAPMLSA-N 369.259 1.758 0 40 FDAB COCC[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)C(N)=O 97034154 SPNCCLFNEHCRAN-LBPRGKRZSA-N 367.402 1.272 0 40 FDAB CCN(CCCO)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 72304995 KEGALJBYQYJONC-CQSZACIVSA-N 373.375 1.997 0 40 FDAB COc1cc2nc(C)n(CC(=O)NCc3ccccn3)c(=O)c2cc1OC 72325192 LYKVFIKWMXMOFZ-UHFFFAOYSA-N 368.393 1.434 0 40 FDAB biogenic O=C(O)c1nccnc1C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 72400818 KSFOOACOOPEMCP-UHFFFAOYSA-N 370.365 1.428 0 40 FDAB Cc1ccc(-c2cc(C(=O)N3CCN(C[C@H]4COCCO4)CC3)on2)cc1 95959151 VLYXQJPAUJUGFT-KRWDZBQOSA-N 371.437 1.823 0 40 FDAB O=C(CNc1ccccc1Cl)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 89814343 OYJFLBGJVULDNH-QLJPJBMISA-N 350.806 1.246 0 40 FDAB COc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1O 23078350 ZYZXASYAELFPIQ-UHFFFAOYSA-N 357.322 1.366 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218108415 QLIXGLJMKAXNKZ-FHWLQOOXSA-N 361.463 1.881 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(-n3nnnc3C)cc2)cc1OC 71287926 IOMPBZGLXIMNCD-UHFFFAOYSA-N 367.409 1.960 0 40 FDAB Cc1cc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)nc2C2CC2)on1 72340375 KXJOBQFMONCBHS-ZDUSSCGKSA-N 358.398 1.379 0 40 FDAB CCOCCCNc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217598791 VHRAIXPNSNHNGH-UHFFFAOYSA-N 360.432 1.148 0 40 FDAB CN(CC(=O)Nc1nnc(SCc2ccccn2)s1)S(C)(=O)=O 70635033 BZSMSZJIIVILOV-UHFFFAOYSA-N 373.485 1.055 0 40 FDAB Cc1nc(S(=O)(=O)N(C)Cc2cnccn2)sc1Br 180077995 MFADUYWGVKWYCN-UHFFFAOYSA-N 363.262 1.825 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218111929 CBBVZULXJKEVAY-JFIYKMOQSA-N 361.419 1.725 0 40 FDAB CN1CCN(C(=O)CCCc2ccccc2)C[C@](O)(Cn2cccn2)C1 72354527 WBGHILHBKFAOFR-FQEVSTJZSA-N 356.470 1.411 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C1CCN(c2cnccn2)CC1 328985969 UBQSWSMMNYBXIZ-MRXNPFEDSA-N 370.457 1.633 0 40 FDAB COc1cc(NC(=O)c2cn(-c3cc(N(C)C)ncn3)cn2)cc(OC)c1 49411336 JLRAMNMDJUXCKI-UHFFFAOYSA-N 368.397 1.998 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)NCC1(O)Cc2ccccc2C1 225715226 CKFPMDGLLMYIHR-UHFFFAOYSA-N 359.447 1.497 0 40 FDAB CN1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 225947722 JIAYBQJIQNMQFJ-QPUJVOFHSA-N 350.318 1.558 0 40 FDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)/C=C/c3cccs3)[C@@H]2C1 96111066 WJORMRDMPBQCQM-IFNLBANCSA-N 350.484 1.955 0 40 FDAB O=S(=O)(NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2)C1CC1 96208770 AEJSDETZLMKWFA-PBHICJAKSA-N 354.447 1.356 0 40 FDAB COc1cccc(CN2CC[C@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1 96050681 BLSDIRLDACDCHQ-HXUWFJFHSA-N 366.421 1.750 0 40 FDAB CN(Cc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1 96158695 WHGCJHKSAQFBOZ-MRXNPFEDSA-N 356.426 1.965 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn21 248110867 HGBHKNNEVZAZSZ-KRWDZBQOSA-N 371.485 1.825 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cnc3ccccc3c1)C2 253380532 AXIYGFAJFNUCTJ-INIZCTEOSA-N 374.462 1.901 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257286053 PKAFKOKVGHSAFY-NVXWUHKLSA-N 357.362 1.658 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 253597510 XRWGELXCEUSDIM-BZUAXINKSA-N 364.467 1.253 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257314032 UVBUSWLLPMYXJJ-HNNXBMFYSA-N 358.446 1.401 0 40 FDAB CNc1cnc(C[C@@H]2CCCN(C(=O)C(C)(C)n3cncn3)CC2)cn1 257251268 JQBJCKALGPDLFA-CQSZACIVSA-N 357.462 1.716 0 40 FDAB O=S(=O)(N1CCCC1)N1CC(c2ccnc(Nc3ccccn3)n2)C1 257318390 VNSOXVLTDYOPET-UHFFFAOYSA-N 360.443 1.355 0 40 FDAB CC(C)C[C@H](CNC(=O)[C@@H](C)Sc1nncs1)N1CCOCC1 42767693 KERPORUVOSBIEJ-CHWSQXEVSA-N 358.533 1.882 0 40 FDAB COc1ccc(CNC(=O)N2CCN(CCc3cnccn3)CC2)cc1F 632877257 NBPUKDYVESIPAR-UHFFFAOYSA-N 373.432 1.694 0 40 FDAB Cc1nccc(N2CCN(C(=O)[C@]3(C)OCCc4ccccc43)CC2)n1 640115999 RAMYBWRNVKSEGW-HXUWFJFHSA-N 352.438 1.922 0 40 FDAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)CC1CCC(C(F)(F)F)CC1 643433071 NYVMJSYYRMHLPP-VQXHTEKXSA-N 371.377 1.455 0 40 FDAB Cc1nnc([C@H]2CN(CC(=O)N3CCc4ccccc4C3)C[C@@H](C)O2)o1 661934217 OLTYBQJZJDHDKR-CXAGYDPISA-N 356.426 1.725 0 40 FDAB O=C(Cc1ccc(Br)c(Cl)c1)NCCc1nc(=O)o[nH]1 684063861 BVCKYJXDHXYOLD-UHFFFAOYSA-N 360.595 1.680 0 40 FDAB O=C(C1CC(O)C1)N1CC[C@]2(C1)CN(Cc1ccccn1)c1cccnc12 585106386 SYEXSSLHWJKRQG-GRXDXKALSA-N 364.449 1.738 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CC4)C[C@@H]23)o1 585105993 AQWFRBMDSFSSAX-CVEARBPZSA-N 357.454 1.651 0 40 FDAB COc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCCC2)C3)c1 12113450 PCSRGOAGAYRNRH-GOSISDBHSA-N 370.453 1.631 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12257008 NNXGWFDKACTRCO-GJZGRUSLSA-N 354.410 1.987 0 40 FDAB O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](Oc2ccccc2)[C@H]1O 12483259 ANXTZNXWCUAYIU-UYTYNIKBSA-N 362.426 1.551 0 40 FDAB biogenic,in-vitro CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)cc2)C1=O 5564541 HJNWBPOMLZSWOB-GHXNOFRVSA-N 365.363 1.749 0 40 FDAB CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2sccn2c1=O 22852891 OFKULTLTFKGNAC-GFCCVEGCSA-N 364.471 1.846 0 40 FDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)c1F 575413846 CZFHYKSJQULKNP-NSHDSACASA-N 361.377 1.451 0 40 FDAB CCn1c(CCNC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)nc2ccccc21 591937437 WIGRTPFMAKFMOW-ZIAGYGMSSA-N 374.441 1.164 0 40 FDAB O=C(CSc1ncccn1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 6911212 KDFMBHLSHCNCEG-CQSZACIVSA-N 361.448 1.913 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(Oc2nncs2)CC1 827913545 XQDFWYFPFDCSRJ-UHFFFAOYSA-N 361.427 1.042 0 40 FDAB CN(C)c1nccc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 1889149358 OMWSHEPUZPGBRF-UHFFFAOYSA-N 364.457 1.789 0 40 FDAB FC(F)(F)c1ccnc(OC2CCN(c3ccc4nncn4n3)CC2)n1 1776008407 CSZSMEFAKOYYTC-UHFFFAOYSA-N 365.319 1.981 0 40 FDAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3csnn3)C2)O1 1614931792 FHVZYJASVCVPQW-XJKSGUPXSA-N 354.476 1.269 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]2O1 1565549828 FZZMINULOORQRF-UGFHNGPFSA-N 368.380 1.947 0 40 FDAB O=C(Cc1ccccc1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565550800 FUKFTGLIPRETKF-UHFFFAOYSA-N 352.438 1.483 0 40 FDAB CC(C)n1nc(CNS(C)(=O)=O)c2c1CN(C(=O)C1(F)CCC1)CC2 1565546753 JVDNDGJPZRWYDA-UHFFFAOYSA-N 372.466 1.290 0 40 FDAB COCCNC(=O)COc1coc(CN2CCc3ccccc32)cc1=O 4304610 XBQUNSDBBLDJAV-UHFFFAOYSA-N 358.394 1.344 0 40 FDAB O=C(COc1ccccc1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987349 VPYYBEGXTQGSRY-CQSZACIVSA-N 368.389 1.963 0 40 FDAB O=C(NC[C@@H]1Cc2c(C(=O)NC3CCCC3)n[nH]c2CO1)c1cc[nH]c1 2055772886 QZCVKQFPPLVFMC-ZDUSSCGKSA-N 357.414 1.282 0 40 FDAB COc1cc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cc(OC)c1 2055771545 HBNXBSGFRKNBOP-FQEVSTJZSA-N 372.469 1.980 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](Oc2cccnn2)C1 225455975 MUAAACORQDROKP-ZIAGYGMSSA-N 352.460 1.104 0 40 FDAB O=C(NCCO)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305656 OKUJFQWQZRRDJV-OAHLLOKOSA-N 359.451 1.077 0 40 FDAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@@H]13)O2 9306568 MYRUJLQRUFUBIV-ZBYUQBLASA-N 357.391 1.657 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNc2cnccn2)c(Br)c1 30336234 JCKYGHIZRDZMOK-UHFFFAOYSA-N 371.260 1.938 0 40 FDAB C[C@@H](CNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)Cn1cccn1 50151710 SNTNGULXTDMHNR-UONOGXRCSA-N 364.471 1.983 0 40 FDAB NS(=O)(=O)c1ccc(OC(=O)CNC(=O)OCc2ccccc2)cc1 712565 KNWNMYOCNJSRNP-UHFFFAOYSA-N 364.379 1.166 0 40 FDAB O=S(=O)(O)CCc1cccc[n+]1C[C@@H](O)COc1ccccc1Cl 3032864 VSQCGFZSAOUICL-CQSZACIVSA-O 372.850 1.498 0 40 FDAB COCCNC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 32885487 IZQVRDAVTHMPQY-UHFFFAOYSA-N 370.434 1.635 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c12 102613076 KQDWBQAGZRGCRP-JJHYMCDRSA-N 366.299 1.952 0 40 FDAB Cc1nc2ccccc2n1CC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 53004690 LIXNXISLKOAVOD-LLVKDONJSA-N 360.414 1.901 0 40 FDAB CCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1 108049446 GWWAWEWUANIRSW-UHFFFAOYSA-N 351.457 1.966 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1 9288582 UBFPANHYVGUYIX-KGLIPLIRSA-N 350.440 1.795 0 40 FDAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 55549397 UHUVJWVVYMLKIB-UHFFFAOYSA-N 361.423 1.265 0 40 FDAB COc1ccccc1N1CCN(CCNC(=O)[C@H]2CC[C@H](CN)CC2)CC1 100768880 AYBXXSRMBFTNPR-HDICACEKSA-N 374.529 1.699 0 40 FDAB O=C(c1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1384574 IUXLJRGHPWKTLN-HNNXBMFYSA-N 358.419 1.873 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccc(C(=O)O)cc1 102823143 GJDXZZIJGHZVAJ-GJZGRUSLSA-N 356.378 1.342 0 40 FDAB Cn1c(=O)c(C2=NN(c3ccccc3)C(=O)C(=O)C2)c(O)c2ccccc21 101628082 KNLQWPZRNZFXFY-UHFFFAOYSA-N 361.357 1.954 0 40 FDAB CC[C@@H](C)NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520140 GWMBZXLLUHFQJO-LLVKDONJSA-N 374.470 1.561 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1 57612571 DVGBKGDKPGMIRV-UHFFFAOYSA-N 372.406 1.748 0 40 FDAB COc1cc(C(=O)NCCNC(=O)c2ccccn2)cc(OC)c1OC 2439937 KRHSJOFYIWTHBF-UHFFFAOYSA-N 359.382 1.267 0 40 FDAB CC(C)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccccc1 16839444 OVSKRDAXNLWJGZ-UHFFFAOYSA-N 355.398 1.374 0 40 FDAB CCn1nnc2cc(C(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)ccc21 8339353 MSRDQUGTSGIGCT-INIZCTEOSA-N 351.366 1.344 0 40 FDAB Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 13388675 DAGVAGHCNGPQBR-UHFFFAOYSA-N 365.393 1.687 0 40 FDAB biogenic O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1[C@@H]1CCS(=O)(=O)C1 4043540 PICKYUFUJNEXMX-BMIGLBTASA-N 359.407 1.044 0 40 FDAB biogenic CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150386 ADFSMYPLWQQDJX-XLPNERPQSA-N 362.401 1.803 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5065986 KNXDZUJLNZWSNJ-INIZCTEOSA-N 360.326 1.004 0 40 FDAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCCO2 17109858 AGBCGAWMNKYYFC-LLVKDONJSA-N 350.371 1.627 0 40 FDAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCc3ccccn3)cc2s1 13732679 JWYNZOGDWLWFSJ-UHFFFAOYSA-N 362.436 1.993 0 40 FDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O 4349677 YXNBHSFRFDRSLQ-LVEBTZEWSA-N 368.430 1.001 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1ccco1)n2CC 39990609 DVFSBIRCZAIHDZ-UHFFFAOYSA-N 359.430 1.931 0 40 FDAB Cc1cc(CNC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)ccc1F 21550193 HCEFLPYGJVMVIA-KRWDZBQOSA-N 369.396 1.913 0 40 FDAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NCC(C)C)c1 14237446 RXQDOFANXXNHAN-CYBMUJFWSA-N 364.446 1.436 0 40 FDAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc1O 4603108 MAZRHOHLSLCADE-AWEZNQCLSA-N 352.412 1.935 0 40 FDAB COc1cccc(C(=O)NCCNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 22470410 ZZQXVYTWHSEWFV-UHFFFAOYSA-N 366.377 1.092 0 40 FDAB CC(C)n1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)COC(C)(C)C3 6719652 NZNAXMLBESIVLH-UHFFFAOYSA-N 352.412 1.742 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 8729014 HHTGAUNRKCBSPV-HNNXBMFYSA-N 353.378 1.797 0 40 FDAB O=c1c2cnc(NC[C@H]3CCCO3)nc2nc(O)n1-c1cccc(F)c1 67263789 ILDIKYBYTCEMEX-GFCCVEGCSA-N 357.345 1.611 0 40 FDAB Nc1cc(F)ccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 21530132 WJMIJFMYBMKKSO-UHFFFAOYSA-N 354.359 1.291 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)NCCCn1ccc2ccccc21 15534843 XBUZQPQDDBBQEF-UHFFFAOYSA-N 361.405 1.953 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCn2c(C)csc2=O)c1 8935841 MTPYWPFDNBDSAW-UHFFFAOYSA-N 370.452 1.746 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68533218 VIRGLECCYUBBON-IAGOWNOFSA-N 366.421 1.188 0 40 FDAB O=S1(=O)N=C(NCC2(N3CCOCC3)CCCCC2)c2ccccc21 22385040 CEAVFFKIVXGRMM-UHFFFAOYSA-N 363.483 1.760 0 40 FDAB O=C(c1cc[nH]n1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001422 ZILAOHNQBJBXOB-GOSISDBHSA-N 367.453 1.359 0 40 FDAB Cc1c(C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)nnn1-c1cccc2cccnc12 96010777 SQOIWINGPFHQNF-UXLLHSPISA-N 363.421 1.967 0 40 FDAB O=C(Cn1ncn2nccc2c1=O)Nc1cccnc1Nc1ccccc1 84553422 UZSZJCZNWLMQPY-UHFFFAOYSA-N 361.365 1.668 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)CC(C)(C)C)CC3)C2=O)cn1 95961313 APPVAYHPVCQGHG-MRXNPFEDSA-N 361.490 1.496 0 40 FDAB C[C@@H](OC(=O)c1ccc(N2CCOCC2)cc1)C(=O)NC(=O)NC1CC1 95957036 HSDOSWIVBVUXFW-GFCCVEGCSA-N 361.398 1.057 0 40 FDAB O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCOCC1 20805972 DCGPNHKTVNEODB-SNVBAGLBSA-N 352.175 1.799 0 40 FDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(C(C)=O)CC2)c1 36390342 FZYMUMWMXORVSM-UHFFFAOYSA-N 360.458 1.271 0 40 FDAB O=C(O)c1ccccc1CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 70666217 GMGFURWZPJZORB-HIFRSBDPSA-N 352.390 1.735 0 40 FDAB biogenic CN1CCN(c2ccc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)cn2)CC1 76956439 VLTQFFPTDJUGCU-QGZVFWFLSA-N 356.401 1.915 0 40 FDAB Cc1ccccc1Cn1nnc2c(=O)n(CC(=O)Nc3ccccc3)cnc21 40477208 BJOHNSDELLFMMP-UHFFFAOYSA-N 374.404 1.983 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC(Oc2cccc3cccnc23)CC1 225705207 AMGCOGQODDEDPC-UHFFFAOYSA-N 367.405 1.754 0 40 FDAB CCCNC(=O)CNC(=O)Nc1ccccc1I 43157992 FTIDXWPFIVRCDN-UHFFFAOYSA-N 361.183 1.939 0 40 FDAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 331372899 AKQKHKVWHFRBTP-FZKQIMNGSA-N 361.446 1.288 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@@H](COCc1ccncc1)C2 96110797 JHPGXEUXRCVFBX-MRXNPFEDSA-N 354.472 1.819 0 40 FDAB CCN1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@H](C)C3)ncc1CS2(=O)=O 96251992 YLOGBEBLZNAJHA-AEGPPILISA-N 350.488 1.429 0 40 FDAB COc1cccc(CC(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c1 96220514 QZYFAIFBTSZLJV-USXIJHARSA-N 357.410 1.788 0 40 FDAB O=C([C@@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCOCC1 96052214 HVTUVQZUZOZNHB-AWEZNQCLSA-N 351.472 1.231 0 40 FDAB COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1c(C)nn(C)c1C)C2 96039156 OLVZAKFFRMFVOL-GDBMZVCRSA-N 357.476 1.243 0 40 FDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccccc4F)CC[C@@H]23)n1 96207398 XTUKDLRYZLOHKB-INMHGKMJSA-N 358.417 1.901 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2COC(=O)C2)cs1 583621488 SADGIOFRTOFDDN-YDHLFZDLSA-N 369.462 1.776 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCN)C2)c2cnccc2n1 257343401 ZSVVLHRFWXTING-LJQANCHMSA-N 357.458 1.077 0 40 FDAB CCc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)on1 257254849 KEXUSJZMPKOXPV-JTQLQIEISA-N 352.416 1.383 0 40 FDAB Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 1616063029 IYAWTWNQFMZVBU-CTQRGLTFSA-N 351.406 1.680 0 40 FDAB biogenic Cc1nnc([C@H]2C[C@@H](O)CN2C(=O)COc2ccc3c(c2)CCCC3)o1 1775957444 VFNYTPXTYXMVAU-NVXWUHKLSA-N 357.410 1.970 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)CCn3cc(Cl)cn3)C2)nn1 630196323 DBPWCBPOEVUGBM-LLVKDONJSA-N 352.782 1.080 0 40 FDAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)c1F 640868286 CBZOQVVADAMPSA-XHSDSOJGSA-N 350.434 1.871 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccc(C)cc1)C2 585103605 YKOCHNWUXDZCOO-QGZVFWFLSA-N 352.500 1.915 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2O1)NCc1cccnc1 585109493 UKJQINMDHCSPTQ-HRCADAONSA-N 361.417 1.596 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@H](C)C2 585097054 FHFDTZCHQSCOGZ-OAHLLOKOSA-N 358.442 1.975 0 40 FDAB CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccs1)CC3 585110161 RACVPAUDAHJWNA-ZDUSSCGKSA-N 372.494 1.942 0 40 FDAB Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941516 DLPJZELNQMXZII-JKSUJKDBSA-N 353.382 1.480 0 40 FDAB O=C(CCNC(=O)OCC(F)(F)F)NC[C@H]1COc2ccccc2O1 57183345 RAKWIMDNFCZXBU-JTQLQIEISA-N 362.304 1.621 0 40 FDAB COCCNC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086341 KBQURZOSTBHDPJ-IBGZPJMESA-N 360.410 1.166 0 40 FDAB CCOCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 12233697 RUIVGKQTQMHYSN-UHFFFAOYSA-N 357.414 1.255 0 40 FDAB CC(=O)N[C@@H](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)c1cccs1 12924403 FACNOHKENDYSDM-ZDUSSCGKSA-N 374.422 1.152 0 40 FDAB COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 14244603 PKYZLGKPEGEMAS-HZPDHXFCSA-N 371.389 1.858 0 40 FDAB CCSc1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 15301494 UDLGWUBXMMDSAW-AOOOYVTPSA-N 366.468 1.930 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(Cc2ccccn2)CC1 19401794 RGZUVVUWGQHLDM-UHFFFAOYSA-N 355.394 1.534 0 40 FDAB COc1ccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1 19555663 SVTRZAHACQXPBR-UHFFFAOYSA-N 354.454 1.980 0 40 FDAB CN1CCN(Cc2ccccc2NC(=O)c2cc3c([nH]c2=O)CCC3)CC1 19590072 FBQFJTCCCZJPCQ-UHFFFAOYSA-N 366.465 1.863 0 40 FDAB CN1CCc2nc([C@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 19590635 FACFAIXWGZMJQD-ZDUSSCGKSA-N 353.426 1.960 0 40 FDAB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-] 6407056 LVCXDNPYCZEXTN-KPKJPENVSA-N 371.305 1.858 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 575607595 NWLHTJQHRDUDOC-QGZVFWFLSA-N 366.483 1.668 0 40 FDAB CN([C@H]1CCN(c2ncnc3[nH]ccc23)C1)S(=O)(=O)Cc1ccccc1 1888906292 RIWMTSMVQGLRAQ-HNNXBMFYSA-N 371.466 1.998 0 40 FDAB Cc1nccnc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984937 SHCFOSZXVJIMAA-FQEVSTJZSA-N 366.421 1.681 0 40 FDAB COc1c(C)cnc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1C 2086988578 KSDMQRSNXYMRFC-CQSZACIVSA-N 353.488 1.753 0 40 FDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O 1565542253 LLGGEAREUHBPQC-WIYYLYMNSA-N 365.433 1.478 0 40 FDAB O=C(NC[C@H]1Cc2c(C(=O)Nc3ccccc3)n[nH]c2CO1)c1cc[nH]n1 1565546977 CSDAXALXJQNVPE-GFCCVEGCSA-N 366.381 1.256 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565550519 BFBZLNZDVPVETR-APWZRJJASA-N 355.442 2.000 0 40 FDAB CC(C)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 1565546815 AOAKNHIPFSBXLE-QYZOEREBSA-N 359.518 1.671 0 40 FDAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 4851438 VVSKTXQLWYPCIK-UHFFFAOYSA-N 359.477 1.409 0 40 FDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5350620 UELILVPCFVCWEQ-MRXNPFEDSA-N 364.417 1.676 0 40 FDAB CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5442258 YVCVTMATJIIJEK-UHFFFAOYSA-N 353.444 1.110 0 40 FDAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CCOC)C1 2055746331 POAHIUDZYCYHIH-GOSISDBHSA-N 367.421 1.008 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2cccc(OC)c2)C1 2055772573 XMEWYLSKLAKDGF-IBGZPJMESA-N 356.426 1.198 0 40 FDAB CCN1CCN(C(=O)NCCn2nc(C)c(-c3ccco3)c2C)C(=O)C1=O 575616165 XGTGJUGOHUOTDW-UHFFFAOYSA-N 373.413 1.160 0 40 FDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1Cc2cc(F)ccc2O1 76961371 KSCIRHYXSUXVSH-AEFFLSMTSA-N 366.458 1.453 0 40 FDAB CC(C)n1ncc2c(C(=O)N3CCNC(=O)C3)cc(-c3ccco3)nc21 40024888 BYCFQWJFMUUDNR-UHFFFAOYSA-N 353.382 1.844 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)Cn1ccc2cc(Br)ccc21 20716097 GLDRBHQNIHUERI-CYBMUJFWSA-N 350.216 1.880 0 40 FDAB COCCNC(=O)N[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 2713510 SMFZYHGGFBKITQ-ZDUSSCGKSA-N 361.851 1.396 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 32817709 BLMGNGJDWJCHNI-UHFFFAOYSA-N 372.349 1.882 0 40 FDAB CC(C)[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC(C)(C)C 4898655 FKKLVFSKHDAOQC-KRWDZBQOSA-N 362.426 1.895 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2Cn2cccn2)C[C@H](C)O1 32895794 JDGSMNGGZNFBLF-GJZGRUSLSA-N 364.471 1.375 0 40 FDAB OC[C@@H](O)[C@@H](O)[C@H](O)C(Sc1ccccc1)Sc1ccccc1 4974712 KSOONRGIPJUSRL-OAGGEKHMSA-N 352.477 1.972 0 40 FDAB C#CCOc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OCC 6960531 XHSNIFROVJAOJG-LCYFTJDESA-N 374.418 1.328 0 40 FDAB COc1ccc([C@@H](CNc2c(NCCCN(C)C)c(=O)c2=O)N(C)C)cc1 101679589 YFBDWJHLTHHHLI-MRXNPFEDSA-N 374.485 1.370 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1cccnc1 12376667 JXAQFPZYAURYMQ-HNNXBMFYSA-N 364.283 1.826 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)sc1Br 37466120 IFLYAIKMCDNJEI-UHFFFAOYSA-N 358.235 1.524 0 40 FDAB CN(C)Cc1ccccc1CNC(=O)Cn1nc(O)c2ccccc2c1=O 24002867 NJAUSUABQPLKKM-UHFFFAOYSA-N 366.421 1.480 0 40 FDAB O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2cnccn2)CC1 25344022 BMWLIHOGDZXUAU-MRXNPFEDSA-N 368.437 1.997 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCN[C@@H](C(N)=O)c2ccccc2)c1 28368725 PSNMWLTWOAPKSF-QGZVFWFLSA-N 361.467 1.398 0 40 FDAB CSCC[C@@H](C(=O)O[C@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O 3289332 BZKFGRNXEYERHW-STQMWFEESA-N 363.391 1.263 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccccc1F 20041722 ACAUCLKUSFZQIW-UHFFFAOYSA-N 366.418 1.150 0 40 FDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O 10029797 JCLIDBLPZDSGEG-VOJFVSQTSA-N 363.414 1.386 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NCCn1cnc2ccccc21 58182190 VSNYGKOKBQTDSE-UHFFFAOYSA-N 364.405 1.968 0 40 FDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 44830167 ABNBASJQIFABCL-GJZGRUSLSA-N 364.423 1.832 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccccc1OC 2129951 HYXVJGACAQWMLB-CQSZACIVSA-N 356.378 1.570 0 40 FDAB biogenic O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1Cc2ccccc2O1 48325109 VSKBIDNLLMHAAH-INIZCTEOSA-N 351.362 1.681 0 40 FDAB O=C(Nc1ccccc1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12914480 XWOLXEPUZITZKK-JTQLQIEISA-N 369.830 1.444 0 40 FDAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)s2)c1C 13624962 ZEWQUDRELXZYQK-JTQLQIEISA-N 355.441 1.964 0 40 FDAB C/C(Cl)=C\Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C 13739285 FZJWUVABOZTKCC-XVNBXDOJSA-N 358.807 1.133 0 40 FDAB COc1ccc(-c2noc(CN3CCN(c4ncccn4)CC3)n2)cc1 14108734 XRUVBAIEHQBNET-UHFFFAOYSA-N 352.398 1.857 0 40 FDAB CCOc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 14807629 ARJOWYKMPNKZBT-UHFFFAOYSA-N 369.439 1.483 0 40 FDAB CC(C)C(=O)OCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl 5713080 ZQVFMDMPRMMMSR-UHFFFAOYSA-N 369.226 1.779 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(F)ccc1F 4846580 WXBBCSJUOXJJDK-UHFFFAOYSA-N 352.318 1.748 0 40 FDAB CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4942123 PJOLYMNTLWHFHR-PGWQMSGGSA-N 359.378 1.765 0 40 FDAB C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N(C)c1ccccc1 18387942 SQLQMSBJUMJPAS-SNVBAGLBSA-N 368.436 1.604 0 40 FDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccnc1 80332334 PVHLOIIZTWYOGZ-MRXNPFEDSA-N 367.453 1.936 0 40 FDAB O=C(NCCc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842469 GGQPSIPINKUJPA-UHFFFAOYSA-N 358.419 1.726 0 40 FDAB Cc1ccc(C)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9255466 YHBZYKURXDAEFC-CYBMUJFWSA-N 363.439 1.407 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)c(F)c1 9368041 BWHCNRXOGZFHAU-UHFFFAOYSA-N 363.418 1.587 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NC(=O)NCCc1cccs1 9514205 ALAYRVVWASXLOS-UHFFFAOYSA-N 367.456 1.128 0 40 FDAB CC(C)(C)SCc1cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c1 84240993 DQKYCYQODIQBEP-UHFFFAOYSA-N 373.500 1.062 0 40 FDAB CCN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 72708135 NVAUPCYELKOCHH-UHFFFAOYSA-N 371.478 1.659 0 40 FDAB CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1nc(CS(C)(=O)=O)no1 84721915 JFUAPUSPZBMCNL-NSHDSACASA-N 361.464 1.556 0 40 FDAB O=S(=O)(CCCN1CCOCC1)N(CCc1cccc(F)c1)C1CC1 95467503 ASVVKRMBASRBLC-UHFFFAOYSA-N 370.490 1.885 0 40 FDAB CC1CCC2(CC1)OC[C@H](CNC(=O)CNC(=O)c1cccs1)O2 95991323 OCXXLQZALOZTGL-JZLYGMAVSA-N 352.456 1.916 0 40 FDAB CNC(=O)COc1ccccc1CN1Cc2ccccc2C[C@H]1C(=O)OC 89386179 UMARHXWKORPCSJ-SFHVURJKSA-N 368.433 1.911 0 40 FDAB Nc1ncc(Cl)cc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 89807662 QFVBJLHZXBJPBD-UHFFFAOYSA-N 353.787 1.970 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408626255 VLJZSHSTNFXVLF-UHFFFAOYSA-N 358.460 1.076 0 40 FDAB CC(=O)N1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 39979652 JKJMUWGVLBGMKP-UHFFFAOYSA-N 354.410 1.032 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCOc1ccc(F)c(F)c1 78547575 ZQNCNENGECIICV-UHFFFAOYSA-N 360.316 1.756 0 40 FDAB COc1ccccc1C(=O)NC1CCN(CC(=O)NCc2ccco2)CC1 35291850 BPUSNTNHYHHQRQ-UHFFFAOYSA-N 371.437 1.799 0 40 FDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)COC 218205426 QKADZLWLXDYNMR-MELADBBJSA-N 362.289 1.941 0 40 FDAB CCc1ccc(CS(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1 564320292 ZUVKDSGFTLDXII-MRXNPFEDSA-N 355.456 1.796 0 40 FDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NC1CCOCC1 62371240 HSMMJMBMWICKPB-UHFFFAOYSA-N 369.443 1.536 0 40 FDAB O=C(CCN1CCC(N2CCCNC2=O)CC1)N1CCOc2ccccc21 560407484 SHEMOEJZRIXUPN-UHFFFAOYSA-N 372.469 1.682 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 223306882 CLALCLDEBJUXDL-UHFFFAOYSA-N 374.462 1.901 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)n(C)n1 226687866 IULVYSWOYIYXDJ-UHFFFAOYSA-N 358.807 1.047 0 40 FDAB COc1ccc([C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C2CC2)cn1 527917569 LTSBMSVDSFCYHZ-LZWOXQAQSA-N 358.402 1.072 0 40 FDAB COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224311390 QWPDOKZSPOCTHH-UHFFFAOYSA-N 356.430 1.905 0 40 FDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(CC(N)=O)cc1 225876310 MTKCHRHLMDNKRN-UHFFFAOYSA-N 368.440 1.103 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2cccs2)cc1 224270147 HNGIJLCFKFZHCO-UHFFFAOYSA-N 368.480 1.736 0 40 FDAB O=C(c1ccncn1)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040423 ZYJHYZIUQMVHDU-VQIMIIECSA-N 354.410 1.962 0 40 FDAB CCc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1 96187422 XUCZYMPUSDTMAE-UHFFFAOYSA-N 357.458 1.511 0 40 FDAB COc1cccc(N[C@@H]2COC3(CCN(S(=O)(=O)N(C)C)CC3)C2)c1 96221543 ITBIIEHWQHYSOL-HNNXBMFYSA-N 369.487 1.537 0 40 FDAB O=C(NCC1CC1)C1=NO[C@]2(CCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 96225497 MVYILAKDKCZPFF-LJQANCHMSA-N 371.393 1.303 0 40 FDAB COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(OC)c1)C2 96217553 XCUCKWPBJVLZKT-RHSMWYFYSA-N 354.472 1.284 0 40 FDAB O=C(Cc1ccc2c(c1)OCO2)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 247860530 MHZYLUXIRFUVRY-KRWDZBQOSA-N 368.437 1.834 0 40 FDAB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccco3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245240078 OBTBBJPBCHWTRO-JYKNGBAOSA-N 353.371 1.406 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1 248048255 AKBSECMAMHJAFR-AWEZNQCLSA-N 354.501 1.749 0 40 FDAB CCc1ncnc(O[C@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)c1F 240122404 VYQSFBWACZIITA-AWEZNQCLSA-N 372.400 1.588 0 40 FDAB CC(C)n1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)cn1 248160543 XKCUWIGACRABAK-ZHALLVOQSA-N 371.485 1.679 0 40 FDAB CC(C)(C)C(=O)N1CC2(CN(C(=O)c3ccccc3)C[C@@H]3COCCN32)C1 604382015 YYHFVETXXWWXHZ-QGZVFWFLSA-N 371.481 1.470 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1 253489429 FFIHIOQZQFSLPF-AWEZNQCLSA-N 352.460 1.438 0 40 FDAB O=C(CN1CCN(C[C@@H](O)C2CC2)CC1)NCc1ccccc1Cl 85436838 PIWRSFYOEJILEA-QGZVFWFLSA-N 351.878 1.345 0 40 FDAB Cc1cc(C(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)c2c(C)n[nH]c2n1 644024316 YWWQFOJNNMUTNP-SFHVURJKSA-N 359.430 1.020 0 40 FDAB Cn1ncnc1CN1CCC(COc2ncc(Br)cn2)CC1 1775995609 BFAHUGLSWQHMIJ-UHFFFAOYSA-N 367.251 1.659 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)cc2)CCO1 643846483 RAVIJSPVCLMVOG-RCCFBDPRSA-N 374.437 1.259 0 40 FDAB O=C(NCC[C@@H]1CCOC12CN(C1CCOCC1)C2)C1CC(F)(F)C1 585103091 PTVQDRZPRQCBFI-CQSZACIVSA-N 358.429 1.808 0 40 FDAB COc1ccc(S(=O)(=O)N2CCc3ccc(F)c(C(=O)O)c3C2)cn1 585098231 MXIKZRPWEZOUKH-UHFFFAOYSA-N 366.370 1.675 0 40 FDAB COCCCNC(=O)CN(C)C(=O)CCc1ncc(-c2ccccc2)o1 58004486 UNWJDWVMEFGRNW-UHFFFAOYSA-N 359.426 1.885 0 40 FDAB CN(C)c1ccnc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 97000353 NMYWPXMZESMOJK-SFHVURJKSA-N 354.454 1.778 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(Cn3cc(Cl)cn3)o1)C2 12155822 HLDPVRUCZYHWLZ-UHFFFAOYSA-N 373.800 1.768 0 40 FDAB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)c1ccccc1 12809744 ONKULJNJCOXUIN-GFCCVEGCSA-N 352.346 1.917 0 40 FDAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)NC[C@H]1CCCO1 12862558 VVWOZIYCTYBMAR-WDEREUQCSA-N 365.434 1.574 0 40 FDAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14291881 VAKYBIIVKQFSRT-UHFFFAOYSA-N 356.444 1.198 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 253406012 UCJHGTYZYGCRIS-COXVUDFISA-N 357.410 1.239 0 40 FDAB O=C([C@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCCC1 1888849575 YTQNOQSPCMNZOP-GFCCVEGCSA-N 358.211 1.811 0 40 FDAB Cc1noc([C@@H](C)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1 29523270 HDIMPLULSQXYGE-CYBMUJFWSA-N 354.414 1.265 0 40 FDAB C[C@H](c1ccccc1)N(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 37222236 MOCSUWCZKSGIMC-RDTXWAMCSA-N 353.422 1.959 0 40 FDAB COC1(CC(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)CCC1 1565552100 KFKJTXMKVSCJEC-ROUUACIJSA-N 359.470 1.843 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 1471337 VVSILPIHCMHNLR-BPKGMFCQSA-N 351.399 1.116 0 40 FDAB biogenic Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NC3CCCC3)cnc21 4479040 HENFFUBPLTXVEA-UHFFFAOYSA-N 351.410 1.949 0 40 FDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)C1 16819053 WZRUSHDUTLUWEY-BETUJISGSA-N 368.455 1.453 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)COc2ccccc2)CC1 2055772224 KFXNDSVBSAAYBD-UHFFFAOYSA-N 356.426 1.368 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)n1 2055745961 VMZKDFHSDMKRDN-LBPRGKRZSA-N 357.414 1.368 0 40 FDAB Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2ccccc21 100845906 QTHAQUNQJXVHRF-HNENSFHCSA-N 351.387 1.963 0 40 FDAB O=C(NCC(F)(F)F)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 49520951 DUVFMYZEHPXVIG-UHFFFAOYSA-N 362.323 1.669 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226860346 XLFFQHYUFUQMKS-UHFFFAOYSA-N 359.363 1.329 0 40 FDAB O=C1CN(Cc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)CCN1 25220493 XHGPFXAXVNDHDY-UHFFFAOYSA-N 358.398 1.723 0 40 FDAB O=C(NCCCN1CCOCC1)C1CCN(Cc2ccccc2F)CC1 20100482 NLLIXJXRALMHBK-UHFFFAOYSA-N 363.477 1.876 0 40 FDAB COc1cc(C)c(N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 52636503 REWVLTIDWFKAKT-CHWSQXEVSA-N 370.471 1.458 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)N1C(=O)CCC1=O 32935264 FMSCLEIVSUAKNH-SECBINFHSA-N 371.315 1.455 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)c2cnc3n(c2=O)CCS3)ccn1 47013618 RETOUAZMWCMTTC-UHFFFAOYSA-N 368.422 1.168 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)Cc3cccc(F)c3)C2)n1 54704620 LOTXOUOFFPVGCH-AWEZNQCLSA-N 360.389 1.582 0 40 FDAB CCS(=O)(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 108533433 ZSTUCEBVRRDBGQ-UHFFFAOYSA-N 351.472 1.636 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1=O 43283282 RCPAVFBONPAAMU-ZDUSSCGKSA-N 363.418 1.111 0 40 FDAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)Cn2cccn2)cc1 24806816 NURGUUHDXZHZSV-ZDUSSCGKSA-N 356.455 1.944 0 40 FDAB CC(C)c1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)n[nH]1 51368191 XKUUYOQZFCVSDJ-UHFFFAOYSA-N 353.400 1.416 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1Br 44502250 RYHBNRLXBCLZGG-SNVBAGLBSA-N 363.277 1.736 0 40 FDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(C)nn(C)c1C 10030963 UKHTYVBQNDQUSB-UHFFFAOYSA-N 353.426 1.865 0 40 FDAB CCn1c(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)nc2ccccc21 58368204 PWQYJPKCDZSRGH-CYBMUJFWSA-N 364.471 1.632 0 40 FDAB CC1(C)Cc2nc3oc4c(N(CCO)CCO)ncnc4c3cc2CO1 2221134 SDEANOTZVMKNGT-UHFFFAOYSA-N 358.398 1.413 0 40 FDAB CN1CCN(c2ccc(CNCc3cccc4c3OCCO4)cn2)CC1 48311416 ONTKNNZIKZJLFT-UHFFFAOYSA-N 354.454 1.894 0 40 FDAB COc1ccc(C(=O)NCC(=O)NCCOc2cccc(C)c2)cc1OC 12857203 FSYZARKOMDCTLH-UHFFFAOYSA-N 372.421 1.937 0 40 FDAB CCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3504545 ZRJIKAOMEILSFI-UHFFFAOYSA-N 354.362 1.920 0 40 FDAB O=C(COc1ccc2oc3c(c2c1)CCCC3)N[C@H]1CCS(=O)(=O)C1 13985572 MCKWYQRNENLGFB-LBPRGKRZSA-N 363.435 1.994 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]cn1 6660352 FHXNUSFFSVOJRN-AUWJEWJLSA-N 374.397 1.944 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COc1ncccc1F)CCS2(=O)=O 306134552 NRHRNHCNUUXBAW-UPJWGTAASA-N 368.430 1.271 0 40 FDAB Cc1nn(CC(=O)N2CCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C 7785681 HUDZBGCKGWCDLR-UHFFFAOYSA-N 356.492 1.589 0 40 FDAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)c(C)n1CC(F)(F)F 9883568 IHZULJJYOGTJEV-JTQLQIEISA-N 361.320 1.764 0 40 FDAB O=C(NC1CC1)c1cccc(NC(=O)c2cnc3sccn3c2=O)c1 9414998 RTNAWBCTIFZWRU-UHFFFAOYSA-N 354.391 1.901 0 40 FDAB COc1ccccc1NC(=O)COc1coc(CN2CCOCC2)cc1=O 72401809 QLMDIWCVYHSWIG-UHFFFAOYSA-N 374.393 1.498 0 40 FDAB CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)nn1 72834027 LMKODYSJJCOHDO-UHFFFAOYSA-N 354.374 1.326 0 40 FDAB C[C@@]1(n2cc(CNC[C@@H](O)c3ccc(F)cc3)cn2)CCS(=O)(=O)C1 84673591 UAOJVRPWFYIHLA-IAGOWNOFSA-N 367.446 1.379 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 95451421 NVXOYYJTBKYPMR-UONOGXRCSA-N 354.472 1.414 0 40 FDAB COc1cc(Br)c(CNC[C@H]2CC[C@H](C(N)=O)O2)cc1OC 95414162 WRVBYVLLUBDEOY-ZYHUDNBSSA-N 373.247 1.589 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1cn(CCOC)c(=O)c2ccccc12 95476219 JEPGSZAOXZGCJK-HNNXBMFYSA-N 357.454 1.862 0 40 FDAB CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 95469648 LRFCQWRLEWHBGW-CVEARBPZSA-N 368.499 1.570 0 40 FDAB CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CN3CCCC3=O)C2)cn1 306128684 HIEFGPGQTZEPOR-QGZVFWFLSA-N 356.474 1.915 0 40 FDAB CCOC(=O)c1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)s1 95965588 KFSJTQQYPZYMAA-UHFFFAOYSA-N 355.397 1.371 0 40 FDAB Cn1ccnc1SCc1ccc(C(=O)NCc2cc(C(N)=O)no2)o1 79096814 YMEVTPYILTUZEW-UHFFFAOYSA-N 361.383 1.322 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1COCCO1 89662227 ZYUDREHDQMWENF-UONOGXRCSA-N 357.451 1.491 0 40 FDAB Cc1occc1C(=O)NC1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 548009576 OFQUMLZKJPGYRS-ZDUSSCGKSA-N 372.425 1.850 0 40 FDAB COc1ccc(NC(=O)COC(=O)COCC(F)(F)F)c(OC)c1 32929977 DGOVVKFKXXLQSI-UHFFFAOYSA-N 351.277 1.764 0 40 FDAB CC(=O)c1c(C)nn(CC(=O)N2CCC(O)(c3cccnc3F)CC2)c1C 72340061 PDLGNFZTEUTWBP-UHFFFAOYSA-N 374.416 1.747 0 40 FDAB O=C(NCCNC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccnc1 72028308 CQLDBCQXRKDVOI-UHFFFAOYSA-N 371.412 1.815 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c(C)c1 224173307 PMYMKWFMDOXCIV-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB COc1ccc2c(c1)CCN(C(=O)NC[C@@H]1CCCS1(=O)=O)CC2 333442344 MATJCJNBZYDUFV-INIZCTEOSA-N 352.456 1.383 0 40 FDAB CC[C@H](C)[C@@H](OC)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 331673814 QVNZDLUQOKYRKE-QXAKKESOSA-N 373.497 1.997 0 40 FDAB CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 330924605 UWBCIZCZZUGOBH-ZBFHGGJFSA-N 360.520 1.854 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1nccs1)CC2 96059479 KPKCHMUXVZYZDM-UHFFFAOYSA-N 356.455 1.624 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 96159950 QAKLIIYSWIKSRX-QFBILLFUSA-N 354.410 1.962 0 40 FDAB O=C(CCCc1nnc2ccccn12)N1CCN(C(=O)c2ccco2)CC1 96116635 KLVVYSXLZVNYTA-UHFFFAOYSA-N 367.409 1.630 0 40 FDAB O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ncccc1F 96058074 LBGYVPQDBJQYSA-ARFHVFGLSA-N 350.390 1.785 0 40 FDAB Cc1ccc(N2CCC3(CC2)CN(C(=O)c2cccnc2)CCO3)nn1 96158947 XGNCULCLHLUKCL-UHFFFAOYSA-N 353.426 1.692 0 40 FDAB CS(=O)(=O)N1CC2(CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 96241359 UHXDBLBCKJGZPS-MRXNPFEDSA-N 364.467 1.505 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(=O)N(C)C)C2 97952799 HZYPMMIAUPJCNH-LJQANCHMSA-N 362.474 1.626 0 40 FDAB Cc1ccsc1CN1C[C@H]2OCCN(S(=O)(=O)C3CC3)C[C@H]2C1 96108053 APYZTCOUVZZRIO-UKRRQHHQSA-N 356.513 1.681 0 40 FDAB O=C(C1CCOCC1)N1Cc2ccnn2[C@@H](COc2ncccc2F)C1 247840139 FBRCPHXNSOEBHK-OAHLLOKOSA-N 360.389 1.806 0 40 FDAB CCCCS(=O)(=O)N1CC[C@H](CN=c2[nH]c(OC)ncc2Cl)C1 585080305 CICVQNWPUBEMGM-LLVKDONJSA-N 362.883 1.424 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)CCn2ccnc2C(C)C)CCO1 257314719 UYEGXILVGZQFKS-CQSZACIVSA-N 358.446 1.828 0 40 FDAB Cc1nnc2c(N3CCN(C(=O)c4c[nH]c5ccccc45)CC3)nccn12 253472114 JCBFIIZXPVWXDO-UHFFFAOYSA-N 361.409 1.876 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3nccn3C(C)C)CCO2)n1 257243521 IHJIDBQGZGMPBB-MRXNPFEDSA-N 358.446 1.464 0 40 FDAB CCc1nccn1CCC(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 257262790 LMXNRQZOLNZPTO-CQSZACIVSA-N 358.446 1.211 0 40 FDAB O=C(O)CNC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1 256027832 FEPRFJXRLGIFRQ-INIZCTEOSA-N 355.346 1.720 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)N2CCc3ccccc3C2)cn1 630650698 PLIUXFSINPGDFJ-IRXDYDNUSA-N 354.410 1.427 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 643952060 QEKJRWZWECNAGZ-LJQANCHMSA-N 356.426 1.299 0 40 FDAB Cc1cc(F)ccc1-n1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H](C)O3)nn1 1615590004 JMFBVRJFUTZVNL-GFCCVEGCSA-N 373.388 1.182 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 1615551288 XIFNHJXMTREYCS-ULQDDVLXSA-N 360.458 1.042 0 40 FDAB OC[C@]1(CN[C@H]2CCCn3ccnc32)COCCN1Cc1ccccc1 658288907 RYVGUJKEINKPMX-AZUAARDMSA-N 356.470 1.571 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc(Cl)sc1Cl 1616045012 UFZUIHBZOUVYND-HTQZYQBOSA-N 373.283 1.666 0 40 FDAB CCCNc1nc(C)nc2c1CCN(C(=O)/C=C/c1cnn(C)c1)CC2 72478317 QOQYEZXESZTJHB-AATRIKPKSA-N 354.458 1.981 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)CC1 96374541 FGNQOXXHHHICKH-UHFFFAOYSA-N 358.504 1.307 0 40 FDAB O=C(NCC(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1)c1ccccc1 575605212 HVODSFAIQSEFLK-CQSZACIVSA-N 360.801 1.540 0 40 FDAB O=C(CSCc1ccccc1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575615767 GOYDSNRYIULDNQ-OAHLLOKOSA-N 368.466 1.753 0 40 FDAB Cc1c(C(=O)N2CC3(C2)CN(C)[C@@H](C(=O)N(C)C)CO3)oc2ccccc12 575403249 GBNDWVZQZJHFMS-OAHLLOKOSA-N 371.437 1.355 0 40 FDAB O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 585097036 GTDJAVYTBOSVCD-OWYJLGKBSA-N 354.401 1.096 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)n1 585097419 LMNRQRHQGORTLD-MRXNPFEDSA-N 355.442 1.333 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1C(=O)O 580837200 OJPWFNTUGCBAOL-DFBGVHRSSA-N 369.439 1.875 0 40 FDAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 58180289 TXYAAWVNVGEISZ-JTQLQIEISA-N 361.225 1.736 0 40 FDAB CCOc1ccc(-c2noc(CCC(=O)NCCc3cc(O)n[nH]3)n2)cc1 89991210 HERREUNIZOTVNV-UHFFFAOYSA-N 371.397 1.856 0 40 FDAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)ccc2[nH]1 12239168 AREDUARMPNRXCF-CYBMUJFWSA-N 371.418 1.395 0 40 FDAB Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)cc1 17073593 PNCDCWBGQYHWQO-XDNAFOTISA-N 356.422 1.293 0 40 FDAB COCC(=O)N1CCC(c2ccc3c(NCc4ncc[nH]4)n[nH]c3n2)CC1 19744924 NGXMWNTZRAVTCK-UHFFFAOYSA-N 369.429 1.646 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)[nH]1 19937525 NSYKJUYVGRRCJA-UHFFFAOYSA-N 354.454 1.895 0 40 FDAB Cc1ccc(NC(=O)[C@]2(C)CCNC2=O)cc1NC(=O)CN1CCCCC1 635437466 LXOCDNBIRMRRAB-HXUWFJFHSA-N 372.469 1.884 0 40 FDAB O=C(COC(=O)C1(O)CCCCC1)NCc1cnn(-c2ccccc2)c1 28750925 MSDPQRWYTAZCQB-UHFFFAOYSA-N 357.410 1.727 0 40 FDAB CN(C)c1ccnc(N2CCN(c3ncc(Br)cn3)CC2)n1 1888842792 CJOVEBHPXQXVHP-UHFFFAOYSA-N 364.251 1.422 0 40 FDAB O=C([C@H]1CN(Cc2ccccc2Br)CCO1)N1CCOCC1 1889130278 PUWOKTGKESEACG-OAHLLOKOSA-N 369.259 1.509 0 40 FDAB COc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952380 GONCPXNUBXWDEU-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB CCOC(=O)c1sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C 13704869 JOCSCPGOSNUMTJ-UHFFFAOYSA-N 374.484 1.843 0 40 FDAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)c2cocn2)CC1 2055751420 VLISFZZOXFMUJB-UHFFFAOYSA-N 372.425 1.524 0 40 FDAB O=C(c1cnccn1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055739354 SNTXUOZISGNBFN-UHFFFAOYSA-N 372.454 1.299 0 40 FDAB Cn1cccc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c1=O 44035359 HJMAPMSLSTVGGP-UHFFFAOYSA-N 367.327 1.859 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)NCc1cn2c(n1)CCCC2 97021175 RZEVASIEFCZQAU-UHFFFAOYSA-N 351.476 1.556 0 40 FDAB COc1ccc([C@@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C2CC2)cc1 40024449 OKALQVXEZXXTAH-MZEUMTGBSA-N 369.421 1.373 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1 40012280 FSANLZAJPOGBCF-UHFFFAOYSA-N 362.407 1.078 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 30583781 DSANIKHGHYCRCE-AWEZNQCLSA-N 362.455 1.621 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCO1 51587677 BOFKVHANZUEQTK-ZDUSSCGKSA-N 374.422 1.718 0 40 FDAB C[C@@H]1CN(C(=O)CSc2nnc(C3CCCCC3)n2N)C[C@@H](C)O1 2639860 BBFTWKNOGCCCIS-VXGBXAGGSA-N 353.492 1.768 0 40 FDAB Cc1cc(NCC(=O)Nc2ccc3c(c2)OCO3)ccc1-n1cnnn1 32770473 FRQAZDRHJDPEKA-UHFFFAOYSA-N 352.354 1.750 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCCOc2cccc(C)c2)CC1 21759101 HJNXYZHHNZBODE-UHFFFAOYSA-N 368.499 1.942 0 40 FDAB C[C@H]1Sc2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2NC1=O 32970973 WOYVBDZBSIMIKN-PSLIRLAXSA-N 354.453 1.426 0 40 FDAB CCC(=O)N1CCN(c2ccccc2[C@H]2C[C@@H](C(=O)OC)CC2=O)CC1 57327999 NFMQTUJIRLMJJH-GDBMZVCRSA-N 358.438 1.981 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)s1 8474642 YVGJFMBVBOGPJO-UHFFFAOYSA-N 366.374 1.886 0 40 FDAB CS(=O)(=O)Nc1ccccc1CNC(=O)C[C@@H]1OC(=O)c2ccccc21 46713925 FLFHTSAFGWKLTQ-INIZCTEOSA-N 374.418 1.976 0 40 FDAB c1ccc(Nc2nc(NCCN3CCOCC3)nc3nccnc23)cc1 22735961 DFJWIIRDCWJHTI-UHFFFAOYSA-N 351.414 1.908 0 40 FDAB COc1ccc(S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N)cc1 812579 VVTVJECSCAQRDA-UHFFFAOYSA-N 353.400 1.662 0 40 FDAB COc1cc(NC(=O)COc2cccc(C)c2)ccc1S(N)(=O)=O 58030949 CKGIFTLEERRILP-UHFFFAOYSA-N 350.396 1.669 0 40 FDAB C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C[C@@H](C)O1 23749075 QCIDXGIBRWAEQE-NXEZZACHSA-N 359.348 1.268 0 40 FDAB COc1cc(C(=O)N(C)Cc2cc(C)on2)cc(OC)c1OCC(N)=O 25137537 CPBVJIHZLPXZNK-UHFFFAOYSA-N 363.370 1.137 0 40 FDAB COC(=O)c1c(C(=O)OC)c(-c2cccc(C)c2)n2c1CS(=O)(=O)C2 1403072 LQIFXSUXBPJZHM-UHFFFAOYSA-N 363.391 1.923 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 26145571 QKZWFCWRXUJKJL-OAHLLOKOSA-N 368.503 1.141 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cc3nonc3C)nn2c1O 100139162 LFSZTZXPPHFOTP-HNNXBMFYSA-N 370.413 1.903 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccc(OC)cc2)cc1 170314944 QGVTUBSYSVJEBV-UHFFFAOYSA-N 356.422 1.721 0 40 FDAB C[C@@]1(c2ccccn2)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 58343447 AYDGSDYVDYMNSC-ACJLOTCBSA-N 359.357 1.428 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1 2241226 YOONVHBWQSOYIE-INIZCTEOSA-N 352.350 1.124 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1C(=O)NC(C)(C)C1=O 12600182 SIINKCYIRVODRQ-UHFFFAOYSA-N 366.805 1.034 0 40 FDAB COCCn1c(SCCCN2C(=O)NC(C)(C)C2=O)nc(C)c1C 48375344 URUFCOMOTOFLFD-UHFFFAOYSA-N 354.476 1.959 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 48374414 BNAPPDLXEPSHFH-QGZVFWFLSA-N 367.453 1.608 0 40 FDAB CCc1ccc(CN(C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 13002576 GNRGFLQALRBRGS-LJQANCHMSA-N 367.449 1.960 0 40 FDAB COc1ccccc1[C@](N)(C(=O)NC[C@H](O)c1ccco1)C(F)(F)F 96007101 KJDNZRWSJNRARU-NHYWBVRUSA-N 358.316 1.854 0 40 FDAB Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C2 5032254 PQUYBAFBGAVUTM-OAHLLOKOSA-N 360.391 1.363 0 40 FDAB Cc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1C 5255830 NJTLKCNQQGKANH-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB CCSc1nnc(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)s1 14141518 KTQUIPPBAXAANC-UHFFFAOYSA-N 357.461 1.699 0 40 FDAB Cn1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 14140870 YSSANODKLBMYEE-CYBMUJFWSA-N 352.391 1.351 0 40 FDAB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C 14230766 IHYBFBFTOBMVLC-UHFFFAOYSA-N 367.427 1.868 0 40 FDAB COc1ccccc1CC(=O)NCc1ccccc1S(=O)(=O)N(C)C 14804172 AEEXZNWPDRZFSM-UHFFFAOYSA-N 362.451 1.804 0 40 FDAB CC(=O)N[C@H](C(=O)NCc1ccccc1N1CCOCC1)C1CCCC1 67679673 CQRVOPQLKWFCRW-IBGZPJMESA-N 359.470 1.834 0 40 FDAB COCCOCCCNC(=O)Cc1n[nH]c(=S)n1Cc1ccccc1 9315384 KWSFHLYGUTVSSE-UHFFFAOYSA-N 364.471 1.701 0 40 FDAB Cc1cc(CN2CCn3cc(CC(=O)NCC4CC4)nc3[C@@H]2C)n(C)n1 306125091 CGSIUUAKQLQOEN-AWEZNQCLSA-N 356.474 1.571 0 40 FDAB COc1cc([C@@H](CC(=O)O)c2oc(C)cc(=O)c2O)cc(OC)c1O 1547139049 ZMSOEFRGMAZMAC-SNVBAGLBSA-N 350.323 1.983 0 40 FDAB biogenic COCCn1cc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 79493280 MGOZYCPQGMLKBZ-HNNXBMFYSA-N 364.467 1.524 0 40 FDAB COc1ccc([C@H]2c3c(n[nH]c3C)Nc3c2c(=O)n(C)c(=O)n3C)cc1O 79489049 PBHZQIDPRIZCMZ-ZDUSSCGKSA-N 369.381 1.067 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 95942915 KQURRNXZDCWYPV-UKPHBRMFSA-N 350.415 1.124 0 40 FDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn[nH]2)N2CCCC2)cc1 61718186 HGPQFNQSZJBOQI-OAHLLOKOSA-N 357.414 1.310 0 40 FDAB COc1cc(NC(=O)c2cnc3ccccc3n2)c(C(N)=O)cc1OC 75358120 OSCMBOLCRIZTDA-UHFFFAOYSA-N 352.350 1.998 0 40 FDAB Cn1ncc2c(NCc3ccccc3)nc(N3CCN(CCO)CC3)nc21 21929056 DZIXSBIUYIXPQH-UHFFFAOYSA-N 367.457 1.090 0 40 FDAB COCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408607031 PTNAMFUZKSLBMT-CYBMUJFWSA-N 358.460 1.293 0 40 FDAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 3848809 VBGOURWEMQKEQW-WMLDXEAASA-N 368.320 1.961 0 40 FDAB biogenic O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccco1 38488376 VRHCOOAVPPLEII-SFHVURJKSA-N 356.378 1.447 0 40 FDAB CC(=O)N1CC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 70817287 HNNSVVGIIMUFPT-UHFFFAOYSA-N 356.348 1.227 0 40 FDAB Cc1ccc(OCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl 224181305 SFTVIYLTBKHPFB-CYBMUJFWSA-N 374.890 1.815 0 40 FDAB COc1cncc(O[C@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1 225397146 SIXZZGFSJRTTJO-HQPKTYMTSA-N 361.423 1.939 0 40 FDAB Cc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)o1 44917629 LUJFOHHPIVAAEA-UHFFFAOYSA-N 367.365 1.251 0 40 FDAB NC(=O)Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 46588441 QCOGJFQKCCIHAV-UHFFFAOYSA-N 351.362 1.339 0 40 FDAB COc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c(C)c1 224171990 NEKQXFOSTFHPBN-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40017831 XBDMVVSYQXGWAR-CYBMUJFWSA-N 350.444 1.580 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(F)cc1 224303077 KZBYZWCOHCPOPQ-UHFFFAOYSA-N 366.418 1.870 0 40 FDAB C[C@@H](NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)c1ccnc(O)c1 576970619 NQXKFXQGQOFKDF-CWTRNNRKSA-N 355.394 1.371 0 40 FDAB CCS(=O)(=O)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 97953884 JAHJGAGIGDPWEL-HNNXBMFYSA-N 353.488 1.969 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCc1nnc2ccccn12 95478937 LRTYZRDFLSNDGK-UHFFFAOYSA-N 362.393 1.257 0 40 FDAB O=C([C@H]1CCC2(CCN(CC3CCOCC3)CC2)O1)N1CCCCO1 96110017 RFTFIPPZGYMEAL-QGZVFWFLSA-N 352.475 1.981 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)n1 96057723 PWNCOHYYTRBXTQ-BMGDILEWSA-N 369.421 1.919 0 40 FDAB COc1cccc(CN2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)c1 96107878 YTIFEARTFKVZMQ-DOTOQJQBSA-N 354.472 1.368 0 40 FDAB O=C1c2nn(Cc3ccccc3)c(=O)n2CCN1Cc1ccccc1F 98213055 CXVUSDLHXFDMKZ-UHFFFAOYSA-N 352.369 1.888 0 40 FDAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccn3)CC2)O1 96243645 GLYDRQKMACBEDM-KRWDZBQOSA-N 369.469 1.693 0 40 FDAB CCCS(=O)(=O)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96226594 ZPCVUCAATLORDL-HNNXBMFYSA-N 358.439 1.027 0 40 FDAB CCn1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)cn1 249694975 QAJARDZMMVAMHN-MRXNPFEDSA-N 364.515 1.602 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 253615033 SYGWGHVTLUBCEM-YAUMQBEUSA-N 364.482 1.862 0 40 FDAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 268649880 ORVTWAFDOXDPGZ-XIKOKIGWSA-N 361.446 1.913 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(NC(C)=O)ccc1C 643971899 GDNWYNJSQMRBRY-MRXNPFEDSA-N 370.427 1.208 0 40 FDAB O=C(CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)Nc1ccon1 679833392 ASXZXNHHIDCDAB-AWEZNQCLSA-N 368.315 1.805 0 40 FDAB CN1C(=O)CC[C@H](C(=O)Nc2nc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 683789698 HXUNSPWLAPLRNL-LRDDRELGSA-N 370.388 1.984 0 40 FDAB CC(=O)NCCNC(=O)CC1(c2oc(C)cc(=O)c2O)CCSCC1 1776111255 JDBMKQNRCPNFEW-UHFFFAOYSA-N 368.455 1.061 0 40 FDAB Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)c1 575403198 FNVGCUIKDZPFBN-CQSZACIVSA-N 355.373 1.859 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc(Cl)s2)CCN1c1cccnc1 585150144 HSHBZVGEXWTFPW-UHFFFAOYSA-N 357.844 1.834 0 40 FDAB O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)N1CCCCCC1 85436927 ZELOYQOGQJOQKA-MRXNPFEDSA-N 351.516 1.802 0 40 FDAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n2ncnc2n1 664181911 HVXADBHGUBVWMG-GASCZTMLSA-N 362.393 1.054 0 40 FDAB C[C@@H]1CN(c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5459192 FEPKDKIVVVZRAQ-SNVBAGLBSA-N 359.817 1.875 0 40 FDAB COc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)c(OC)c1 5538860 CQAIJTGTBACYKJ-UHFFFAOYSA-N 364.398 1.588 0 40 FDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)CCCn1ccnc1)CC3 12088372 WWOKNDNUKLTIQZ-UHFFFAOYSA-N 371.466 1.828 0 40 FDAB CN1C(=O)S[C@@H](CC(=O)N2CCC(O)(c3cccnc3F)CC2)C1=O 12186112 YGZSQCXJBZSNSN-NSHDSACASA-N 367.402 1.115 0 40 FDAB CC[C@H](NC(=O)Cc1c(C)[nH]c2nc(C)nn2c1=O)c1ccc(F)cc1 12199974 DENZOROUIKROSB-HNNXBMFYSA-N 357.389 1.984 0 40 FDAB Cc1cnc(C(=O)N2CCc3nc4scc(C)c4c(=O)n3CC2)cn1 13227784 GIWLJHPFYLWFLR-UHFFFAOYSA-N 355.423 1.563 0 40 FDAB COc1ccccc1OCCN(C)C(=O)c1nc2nc(C)cc(C)n2n1 14001644 HCPMNESBSXHPHW-UHFFFAOYSA-N 355.398 1.901 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CN(C)C)CC2=O)cc1 19581879 VZWNWAXXSRBOIA-DOTOQJQBSA-N 359.470 1.991 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)N(C)C1=S 8091421 RBZXIFWZCFDGDN-XFFZJAGNSA-N 350.396 1.277 0 40 FDAB CCOC(=O)c1ncn2c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 642881960 LGDQOEPVCUQEKT-WDEREUQCSA-N 364.402 1.211 0 40 FDAB O=C(N[C@@H]1CCn2ccnc2C1)c1n[nH]c(C2CC2)c1Br 547659479 MQAOBNADGXIBKC-SECBINFHSA-N 350.220 1.991 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)Cn1nc(C(F)(F)F)c3c1CCC3)C2 13228092 OTYCCUHICSCKJE-UHFFFAOYSA-N 354.336 1.333 0 40 FDAB Cc1oncc1CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]2C1 1888869464 XOZXILMWOYULCV-QZTJIDSGSA-N 361.467 1.877 0 40 FDAB CCOC(=O)CCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl 33028546 UKLAMRYPNYPWSU-CYBMUJFWSA-N 355.822 1.899 0 40 FDAB Cn1cncc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838336 DVWCAZDVQRQKIV-UHFFFAOYSA-N 358.417 1.957 0 40 FDAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)O1 1614929624 LCZACQSZCAUWOM-QFBILLFUSA-N 354.491 1.408 0 40 FDAB O=C1COC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1Cc1cccnc1 1146884697 ZZCMRZJXGSMYME-UHFFFAOYSA-N 354.410 1.444 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565549033 NQOPJIDWLUHFAD-OALUTQOASA-N 367.453 1.306 0 40 FDAB Cc1ncnc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)c1C 1565544262 CMQPJMFODOMCAY-UHFFFAOYSA-N 362.430 1.555 0 40 FDAB COc1cc(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)on1 1565554346 PFAQICXTVISODP-BZUAXINKSA-N 373.409 1.915 0 40 FDAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCOCC1 4304315 CZMKWOPNAPYOCX-UHFFFAOYSA-N 370.405 1.440 0 40 FDAB CCN1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1 12422846 QNEDYYQNIPLQIQ-UHFFFAOYSA-N 365.455 1.130 0 40 FDAB COc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1CO 12230781 PLUPOPUYDYAUAE-UHFFFAOYSA-N 352.774 1.650 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1nc(SC)ncc1Cl 40062276 OVFFRCYJQZFDKL-VIFPVBQESA-N 361.876 1.973 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 40088439 MYAVQISXXKHAAN-OAHLLOKOSA-N 356.463 1.936 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)c1C 20045072 BLXHODLCYNMQFZ-UHFFFAOYSA-N 366.462 1.857 0 40 FDAB C[C@@H]1CCc2c(sc3ncnc(N4CCCN(CC(N)=O)CC4)c23)C1 40155535 DQBWXWQUKCIVDL-GFCCVEGCSA-N 359.499 1.814 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)cc1F 45896200 BNNOEIPSXYUXOB-ZDUSSCGKSA-N 351.313 1.430 0 40 FDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ncccn2)CC1 2628933 SNHYLNDQZPHUTO-UHFFFAOYSA-N 356.810 1.780 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)COCc2ccccc2)C1 2106143 RNQFBQHVXRAHLH-CEXWTWQISA-N 354.450 1.845 0 40 FDAB O=C(NCc1nnc2ccccn12)[C@H]1CCCN(C(=O)c2cccs2)C1 32755007 GHCZTIDQJGGQPK-ZDUSSCGKSA-N 369.450 1.959 0 40 FDAB O=C(CN1CCN(c2cnccn2)CC1)Nc1nc(-c2ccco2)cs1 52464825 SJNSRAGWNMZRFJ-UHFFFAOYSA-N 370.438 1.954 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4730953 QPQISXCLJNYQEN-AZQPONJRSA-N 368.389 1.609 0 40 FDAB C[C@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cn1 6101129 OHTCGVQLNPWCKF-VIFPVBQESA-N 351.746 1.628 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c[nH]c3ccccc23)n2ncnc2N1 10157074 ZNOJHXGGUSOIDM-KRWDZBQOSA-N 364.409 1.907 0 40 FDAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 10795245 KRAFRLGAOBWJNW-LBPRGKRZSA-N 362.407 1.196 0 40 FDAB Cn1ncc2c(N3CCC(C(=O)Nc4ccccc4O)CC3)ncnc21 12486614 SJXCRTMAUOIQOX-UHFFFAOYSA-N 352.398 1.924 0 40 FDAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccccc1F 20488812 JUUZEULLPYQXPM-UHFFFAOYSA-N 357.316 1.916 0 40 FDAB CCOC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 24013503 HFNHZZQGWDPWKW-UHFFFAOYSA-N 362.455 1.747 0 40 FDAB COc1ccc(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24688861 GBXCUUSCBKLFRD-ZDUSSCGKSA-N 356.444 1.004 0 40 FDAB Cc1c(C(=O)N2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 100121210 FNZWIICOCAUHGU-CXAGYDPISA-N 368.441 1.257 0 40 FDAB CSc1nnnn1-c1cccc(NC(=O)NCCC(=O)OC(C)C)c1 58097359 JFVXPIUPNOIFBD-UHFFFAOYSA-N 364.431 1.847 0 40 FDAB CC(C)Cc1noc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)n1 27625701 SMTXZUXAYJWPQG-OAHLLOKOSA-N 350.463 1.775 0 40 FDAB COc1cccc(OC)c1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3315378 LNXSUYQIBUMXNR-UHFFFAOYSA-N 373.361 1.906 0 40 FDAB O=C(CCc1nc(-c2cccnc2)no1)Nc1nc(-c2ccccn2)n[nH]1 48288691 SKTSOSXGGPTUQS-UHFFFAOYSA-N 362.353 1.883 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 36398299 BSXHKOQIUIDUGE-OAHLLOKOSA-N 359.426 1.959 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2ccc(C)cc2)C1=O 36391715 QVMWWBVEPIOJJD-DNVCBOLYSA-N 358.442 1.884 0 40 FDAB CCc1nnc(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)o1 48251688 FYHCGWAFULXXMA-UHFFFAOYSA-N 364.471 1.837 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1 10705914 PCNYEMWUFUGKKX-UHFFFAOYSA-N 362.407 1.192 0 40 FDAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 12754676 ZGIWCQZMFQSXHA-AWEZNQCLSA-N 363.439 1.623 0 40 FDAB CCCc1n[nH]c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1 11466396 NTQVHDBRIFTYSB-LBPRGKRZSA-N 374.532 1.521 0 40 FDAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccco1 8704195 FGTXLOBEGXLDFM-UHFFFAOYSA-N 364.423 1.372 0 40 FDAB O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)NC1CCCCC1 3528954 SUHJBTHIDWTFPA-UHFFFAOYSA-N 369.421 1.897 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2C[C@H](C)OC2=O)ccc1F 12904193 UVRZGFTXFUMIMD-GXFFZTMASA-N 373.402 1.717 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 23711580 FKYYUMXJLVVNRU-LBPRGKRZSA-N 362.407 1.628 0 40 FDAB CN(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 5103660 BOFYXKMYUYVOMT-HNNXBMFYSA-N 367.467 1.786 0 40 FDAB CCC(CC)[C@H](CNC(=O)Nc1cnn(CCOC)c1)N1CCOCC1 71925606 RRCOXKZKIKYEQU-KRWDZBQOSA-N 367.494 1.788 0 40 FDAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(OC)c1 4939427 KOOFEADKLUWCHQ-AWEZNQCLSA-N 373.361 1.398 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@@H]1C 7001432 DRLYVIUUSUPUIZ-ZSAUSMIDSA-N 361.442 1.588 0 40 FDAB C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 96012561 HENSCPNLCZJJBC-AMXDTQDGSA-N 358.485 1.201 0 40 FDAB COc1ccc(CNC(=O)COc2ccc(-n3cnnn3)cc2)cc1OC 7251221 GLTDIXOELBAWGW-UHFFFAOYSA-N 369.381 1.375 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCOc2ccc(F)cc2)n(C)c1=O 7416508 HEJDLEHMNPSSOH-UHFFFAOYSA-N 352.753 1.305 0 40 FDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccccc2N2CCOCC2)C1=O 9339018 PJDPTECRGHFUKS-UHFFFAOYSA-N 360.414 1.182 0 40 FDAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1N1CCOCC1 7722989 TYKGCHQOHGTQDA-KBPBESRZSA-N 367.519 1.922 0 40 FDAB CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 9314662 LRVDNLIJLUNUKR-UHFFFAOYSA-N 359.451 1.557 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCO2)c1 8326228 VLXSRIJIAJWODE-AWEZNQCLSA-N 354.472 1.934 0 40 FDAB Cc1nc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1 89718122 NJWODGBWMIKGJR-QMMMGPOBSA-N 372.834 1.773 0 40 FDAB COc1cc(N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)ncn1 306123037 ACZKSORLJDTKGW-CQSZACIVSA-N 351.414 1.825 0 40 FDAB O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cccc(Nc2nn[nH]n2)c1 1556417182 ORECBMUOQYGIFU-OAHLLOKOSA-N 350.382 1.936 0 40 FDAB COCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 33592290 YJSORDOXDJWYRC-UHFFFAOYSA-N 370.471 1.167 0 40 FDAB COC(=O)C12CC3(C(=O)OC)CC(C(=O)OC)(C1)CC(C(=O)OC)(C2)C3 38261060 CBGOLMWJUCAGRW-UHFFFAOYSA-N 368.382 1.005 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35507021 DKDMRRWOJGUHRK-CYBMUJFWSA-N 357.313 1.773 0 40 FDAB Cc1cc(Br)cc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 562645084 YASWSCKRKBMUER-LLVKDONJSA-N 364.217 1.232 0 40 FDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 181181073 ICDZXNRORCXAKZ-CQSZACIVSA-N 371.478 1.312 0 40 FDAB Cc1cccc2c1OC[C@@H](NC(=O)NCc1nc(-c3ccccn3)n[nH]1)C2 563793223 UQCHWNYCTIOABY-AWEZNQCLSA-N 364.409 1.978 0 40 FDAB O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 70641028 XAQSDJMDBQVVPL-NTEUORMPSA-N 371.422 1.019 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326634 HRMDKELYZWLIOK-DJJJIMSYSA-N 359.426 1.431 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 40284876 NSEVIIOJHBRGTK-UHFFFAOYSA-N 369.469 1.756 0 40 FDAB NC(=O)[C@H](c1ccccc1)N1CCN(CC(=O)NCc2ccccc2)CC1 40033644 IVXKLWZUMFEBSN-FQEVSTJZSA-N 366.465 1.147 0 40 FDAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccccn4)CC3)cs2)C1 225422427 YQSJJDREXXWLFZ-MRXNPFEDSA-N 374.510 1.588 0 40 FDAB biogenic,in-vitro COc1ccc(CN2C[C@@H]3Oc4ccccc4S(=O)(=O)N[C@@H]3C2)cc1 514289047 FMNNNIVNOBOXFO-WBVHZDCISA-N 360.435 1.619 0 40 FDAB biogenic,in-vitro Cc1nc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)sc1C 49547745 LIVKKJOQZSYXQD-UHFFFAOYSA-N 374.470 1.625 0 40 FDAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCCO)cc1 222987996 CXHOYOTYSYKEIA-MRXNPFEDSA-N 370.449 1.764 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(C)c1 198354897 PQMNDCCWIOSGOZ-INIZCTEOSA-N 358.486 1.527 0 40 FDAB Cc1cnc(N2CC[C@]3(C2)C(=O)N(C)CCN3Cc2cccnc2)nc1 96229617 AXIMMDBBLFIKEH-IBGZPJMESA-N 352.442 1.103 0 40 FDAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1)N1CCCC1 96082851 FNVUNVZAFXLFCM-FHWLQOOXSA-N 359.470 1.700 0 40 FDAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 96036907 KEXJZGIQUCTFLU-AWEZNQCLSA-N 363.462 1.123 0 40 FDAB COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 243824883 QWPYBAPAGABXJZ-UHFFFAOYSA-N 366.370 1.529 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3ccc4[nH]cnc4c3)C2)ncn1 257341884 ZMHXBDIMKHWIIL-AWEZNQCLSA-N 351.410 1.993 0 40 FDAB CCn1nccc1-c1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257319230 VRKBPZXGKRWMJU-OAHLLOKOSA-N 350.448 1.303 0 40 FDAB COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 252478961 AYDFIUNKLJTHSS-KRWDZBQOSA-N 367.405 1.975 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cnn3cccnc23)n1 257262451 LLKWABBTMYZOPG-ZDUSSCGKSA-N 353.386 1.083 0 40 FDAB CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)Cc1ccccc1 257280012 OJCHXLIJIOLMCD-KZNAEPCWSA-N 352.500 1.826 0 40 FDAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)c4cc[nH]n4)CCO3)n2)[nH]n1 257256740 KMSORFUFPAXFOV-AWEZNQCLSA-N 353.386 1.794 0 40 FDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 269185442 CVAXADOGMOFSCO-QMMMGPOBSA-N 350.799 1.325 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 623287849 LFNGYVGEIURGOJ-GUYCJALGSA-N 351.406 1.634 0 40 FDAB CCOC[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)CCO1 623746598 HNWYHESJTLQDKR-BPUTZDHNSA-N 353.463 1.080 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)c3c(C)[nH]c4ccccc34)C[C@H]2O)cn1 628245953 RWDQNHBFSZXZSR-IAGOWNOFSA-N 354.410 1.957 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCCCn2cccn2)N1Cc1ccccc1 630651250 BESUFMIKIKBWGG-IRXDYDNUSA-N 356.426 1.507 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)O)N(S(=O)(=O)Cc1ccc(Cl)cc1)C2 650230393 HKTRQXPYROMCMX-GFCCVEGCSA-N 370.818 1.039 0 40 FDAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CNC[C@H]1c1cnn(C)c1C)CC2 659273599 GJWMFXNSGRZGJO-RBUKOAKNSA-N 354.454 1.625 0 40 FDAB CN(C)C(=O)c1cnc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(Cl)c1 1775961530 GXZOECSVPICAOZ-PWSUYJOCSA-N 350.810 1.887 0 40 FDAB O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@H]1COc1cnccn1 585098355 WRJXYFDIXBLKJI-HNNXBMFYSA-N 357.414 1.158 0 40 FDAB O=C(c1ccnc(F)c1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 585113554 MUQUVVSSUGXYJU-IBGZPJMESA-N 356.401 1.985 0 40 FDAB Cc1cc(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)on1 585273488 RWBYWHFDGGKMMQ-SECBINFHSA-N 365.367 1.130 0 40 FDAB Cc1ccnc(C(C)(C)C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685941983 KIMGTINYEREESV-RRFJBIMHSA-N 357.458 1.467 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 54173122 KDUCAMTZOXQDQD-ZDUSSCGKSA-N 368.363 1.734 0 40 FDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ccccc21 72325942 UVEOHLBZNUEODC-IBGZPJMESA-N 356.426 1.173 0 40 FDAB O=C(c1ccc(O)nn1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585395778 RDEDWCASDPCQPR-CQSZACIVSA-N 365.386 1.323 0 40 FDAB CC(=O)N[C@H]1CC2(CCN(C3CCN(C(C)C)CC3)CC2)OC[C@]1(C)O 1615121120 NBDBWMDQZLELBC-OALUTQOASA-N 367.534 1.370 0 40 FDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 5895158 FHRIXOZKNZJWMY-UHFFFAOYSA-N 364.807 1.927 0 40 FDAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCNC(=O)C1 12222794 MDYQAGQTFFUAKL-UHFFFAOYSA-N 363.421 1.755 0 40 FDAB Cc1cccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 13632740 AOQZSVGPMYEBRS-UHFFFAOYSA-N 372.446 1.889 0 40 FDAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccnc1 15935388 RMBVAQVZDBVSCQ-UHFFFAOYSA-N 363.414 1.804 0 40 FDAB CCCOC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 16222392 YJGCFAODFXDFPO-UHFFFAOYSA-N 354.428 1.106 0 40 FDAB O=C(c1cnccn1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375666 WRGMNJDKIFKVIF-LBPRGKRZSA-N 371.422 1.542 0 40 FDAB Cc1ncncc1C(=O)N[C@H](C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 19553011 SNHUEOQJJQKHJJ-CYBMUJFWSA-N 356.430 1.596 0 40 FDAB Cn1nc2c(c1C(=O)N1CCC(CCN3CCOCC3)CC1)CCCC2 19657711 IHVNZQFBBSGJLJ-UHFFFAOYSA-N 360.502 1.873 0 40 FDAB CC(=O)N[C@@]12CCNC[C@@H]1CN(Cc1cncn1Cc1ccccc1)C2 19713621 CKISJUDXFNOPQW-UYAOXDASSA-N 353.470 1.231 0 40 FDAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1=O 101273903 GHPBKYAOTUUPPK-ZDUSSCGKSA-N 353.396 1.632 0 40 FDAB Cc1ncn(CC(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(=O)c1C 220753054 KJSVUGXEMMKPJL-CQSZACIVSA-N 371.441 1.602 0 40 FDAB CCOc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)nn1 575606136 DSIOPLJQKMWHKH-UHFFFAOYSA-N 354.414 1.116 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)nn12 1888882038 XQGIUAKPTLQGCE-OKILXGFUSA-N 367.388 1.175 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ncc(Cl)cn4)CC3)nn2)n1 1889139266 AAWIASIIRXTUIZ-UHFFFAOYSA-N 356.821 1.741 0 40 FDAB CCCN(C(=O)c1ccc2c(c1)nnn2CC)[C@H]1CCS(=O)(=O)C1 26007431 HNYGULJTQGVQFS-ZDUSSCGKSA-N 350.444 1.491 0 40 FDAB Cc1nccnc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984938 SHCFOSZXVJIMAA-HXUWFJFHSA-N 366.421 1.681 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1ccccc1Cl)CCO2 2037985667 ROJKAAIQKKHAJQ-SFHVURJKSA-N 366.845 1.818 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@]2(CO1)CN(Cc1cc(C)[nH]n1)CCO2 2056225653 WVUQDDLBZUZESP-FUHWJXTLSA-N 350.463 1.383 0 40 FDAB O=C(NC1CCCCC1)[C@H]1C[C@@]2(CO1)CN(Cc1ccncc1)CCO2 2056226141 LISMDUUKMRCFAL-QUCCMNQESA-N 359.470 1.890 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1C 807130 XCBPCGWUZVMNTP-UHFFFAOYSA-N 351.410 1.821 0 40 FDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nc(C)cs3)n12 4250235 ZWDXZLJQUDHCPH-UHFFFAOYSA-N 364.456 1.866 0 40 FDAB CC(=O)Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O 5056886 JNQFFUKYQQWRSQ-UHFFFAOYSA-N 353.260 1.465 0 40 FDAB COc1ccc(CCNC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 9616688 TVGYBTSBYKVDFH-UHFFFAOYSA-N 370.388 1.852 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(F)cc1F 11927675 SVWYQCGDYDMDGL-UHFFFAOYSA-N 364.352 1.581 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(C(=O)N4CCCC4)c3C2)cn1 2055738897 YSYCQPVSNOSLLI-GFCCVEGCSA-N 355.398 1.296 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 40157487 SDIHSAMNAWQKOJ-CYBMUJFWSA-N 353.378 1.822 0 40 FDAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccn1 31820609 GLZLWXQEEIVOSO-OAHLLOKOSA-N 366.421 1.257 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)c2ccc(F)cc2F)c1=O 51289306 RMDHKKXYYYIAJE-NSHDSACASA-N 362.254 1.978 0 40 FDAB CCCN1C(C(=O)Nc2ncccn2)=C(O)c2ccccc2S1(=O)=O 20623436 LJHXJWITASYBKN-UHFFFAOYSA-N 360.395 1.756 0 40 FDAB CCCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1 4061649 WIECJZIHZQTOEL-UHFFFAOYSA-N 357.439 1.667 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 32802703 BXNQRSZLJBSEEZ-AWEZNQCLSA-N 366.462 1.612 0 40 FDAB CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 32854321 NKRCMBSJOAZCAY-WBVHZDCISA-N 360.410 1.375 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc(C)no1 32829829 RBMPGGUSMAMZFJ-MRXNPFEDSA-N 364.423 1.803 0 40 FDAB O[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@H]1OCc1ccccc1 4530741 LEJLVYJUXVHIJN-RPZLJYRGSA-N 358.390 1.764 0 40 FDAB CCc1nn(CC(=O)NCc2cccnc2)c(=O)c2cc3occc3n12 4918549 SDFGQVMMWGPXDL-UHFFFAOYSA-N 351.366 1.516 0 40 FDAB CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 6356953 LXAGUOHSWUFGJV-UHFFFAOYSA-N 362.407 1.352 0 40 FDAB CCOC(=O)C1CCN(C(=O)CNc2cc(NC(C)=O)ccc2F)CC1 29942310 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VLOSLSZRCLBJTN-KRWDZBQOSA-N 351.410 1.824 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)N1CCCC1 35335109 CRVSFVYVFVDSNV-UHFFFAOYSA-N 366.465 1.858 0 40 FDAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1C 20169520 FIWGKSXLYLOXTG-CYBMUJFWSA-N 362.455 1.906 0 40 FDAB Cc1nsc(N2CCCN(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1 108351683 ZAJROQCEDSEYSW-STQMWFEESA-N 373.548 1.581 0 40 FDAB CCN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(CCN1CCCC1)C2=O 57531496 SPBNYYLGAPUOLM-SFHVURJKSA-N 354.454 1.965 0 40 FDAB Cc1ccsc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3216587 NPFHDXCALNOIJK-UHFFFAOYSA-N 362.407 1.791 0 40 FDAB Cc1nc2ccccc2n1NC(=O)Cn1cnc2ccc(F)cc2c1=O 58027707 NWPHLBJCPZWRGY-UHFFFAOYSA-N 351.341 1.964 0 40 FDAB CC[C@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)OC 58160965 GIGODGHRQMIZRV-DIFFPNOSSA-N 368.455 1.469 0 40 FDAB COCCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 58163488 PWWLCLNNGQEJRW-KRWDZBQOSA-N 360.454 1.977 0 40 FDAB COc1cccc(-n2cc(CNC(=O)CCNc3ncccn3)nn2)c1 58146927 RILPALQPUVWIFO-UHFFFAOYSA-N 353.386 1.184 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)C[C@H](C)CC3 2223362 DTGPPYGROHXIPM-SECBINFHSA-N 359.455 1.884 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)c1C 12800033 BXBCYIYLXXKKSR-UHFFFAOYSA-N 368.437 1.388 0 40 FDAB NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3cccnc23)c1 12892745 TUDKDYYLZBSSBP-UHFFFAOYSA-N 355.419 1.855 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 8392221 GAUULRNGWFMXHW-SNVBAGLBSA-N 358.416 1.513 0 40 FDAB NC(=O)NC(=O)CN(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12922309 DCKMAOKFEWQAIR-UHFFFAOYSA-N 365.393 1.120 0 40 FDAB C[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(=O)N(C)C 64251228 GDPGKDARTPNMSN-ZDUSSCGKSA-N 352.504 1.736 0 40 FDAB Cc1ccccc1-n1nnnc1C1(N2C[C@H](O)C[C@@H]2C(=O)O)CCCCC1 5180463 GMLDUIVPLYJQHJ-GDBMZVCRSA-N 371.441 1.650 0 40 FDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)cn1 4492987 AXYAXVCLUUOERP-UHFFFAOYSA-N 372.768 1.696 0 40 FDAB COc1cc2cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)[nH]c2cc1OC 5388943 ZWVASJZLLZFKJE-LLVKDONJSA-N 352.412 1.444 0 40 FDAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1-n1cnnn1 17703253 IHUHXXQYHHAVOZ-KRWDZBQOSA-N 363.377 1.839 0 40 FDAB O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCOCC1 5439349 FFBXUTXUDOJZIM-UHFFFAOYSA-N 358.847 1.742 0 40 FDAB CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 6670391 BVZKHMQQMAHIBV-UHFFFAOYSA-N 371.422 1.060 0 40 FDAB C[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)N1CCc2ccccc21 5716312 GMVWMVYJQLNDBL-CQSZACIVSA-N 352.390 1.937 0 40 FDAB CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 14918509 QTHGCOPERQPNOI-INIZCTEOSA-N 367.515 1.524 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccco1 7279036 FKXUFTHWDDWZTH-BLVKFPJESA-N 353.378 1.850 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1 81048017 XWDSRCUHRIVCSH-ZDUSSCGKSA-N 352.378 1.436 0 40 FDAB C[C@@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)NC1CC1 16366550 JDYCRLWFDYTRPH-SECBINFHSA-N 351.384 1.165 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 8919272 DVJIWVZVCHQWAX-LJQANCHMSA-N 355.369 1.909 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8073299 FLTGWCKCFUBUCK-HNNXBMFYSA-N 370.434 1.311 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)c(Br)c(OC)c1 78603720 JECRQNCCXOFURW-JTQLQIEISA-N 371.231 1.817 0 40 FDAB CC(C)CCC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 95424603 OINZQFQXZDRPEO-MRXNPFEDSA-N 359.426 1.832 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 95462065 FJGPFUQCRUBGOR-UHFFFAOYSA-N 368.499 1.151 0 40 FDAB COCc1nc(C)cc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1 75041445 NWLLVDXIITTYED-UHFFFAOYSA-N 355.442 1.692 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)CN(CC(F)(F)F)C2CCC2)C1 75104904 KJJBMCXPSHMHKL-OAHLLOKOSA-N 365.440 1.876 0 40 FDAB CN(C)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C 20428081 BJJDOFQEANWKFE-UHFFFAOYSA-N 358.423 1.617 0 40 FDAB Cc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1 409025456 RLFALHOUNQHHBY-UHFFFAOYSA-N 361.423 1.499 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1 409002208 MIZKGIRZPYIRIJ-HNNXBMFYSA-N 371.393 1.975 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)c1ccccc1 306141780 WGHBSCSNYPQUMW-OXJNMPFZSA-N 365.437 1.782 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241352 OVKFNIVIJKGACK-HZPDHXFCSA-N 353.850 1.306 0 40 FDAB CC(C)[C@H](C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946603 WGBHNIABFAYBID-JTQLQIEISA-N 370.500 1.474 0 40 FDAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c(OC)n1 72337560 YUISEHULPVXKQJ-RTHVDDQRSA-N 356.426 1.903 0 40 FDAB CSCC[C@H]1NC(=S)N(c2cccc(N3CCOC3=O)c2)C1=O 32825999 LMXJVLIRVVSNGF-GFCCVEGCSA-N 351.453 1.986 0 40 FDAB Cn1cnn(CC(=O)Nc2c(O)cc(Br)cc2Cl)c1=O 569270194 ABKIWAZOKIVWHK-UHFFFAOYSA-N 361.583 1.342 0 40 FDAB COc1cc(/C=C/C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(OC)c1OC 75161372 VSZUULSROSAQAE-LVDDQXARSA-N 360.410 1.605 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(OC)c2)cc1 48654477 AWHCVTLUKVGJOQ-UHFFFAOYSA-N 372.377 1.745 0 40 FDAB CCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952380 POJJNDKQLXXWFU-AWEZNQCLSA-N 362.879 1.863 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)sn1 96124124 NEPIHFCAHJCACQ-GFCCVEGCSA-N 370.442 1.677 0 40 FDAB COc1ccc(-c2nn(CC(=O)Nc3cc(C)on3)c(=O)cc2OC)cc1 96183147 KZKJOUHUKLIKAX-UHFFFAOYSA-N 370.365 1.863 0 40 FDAB C[C@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC[S@@]1=O 532967758 HLDHMCNWDQVVTF-CCGUKBGLSA-N 350.423 1.289 0 40 FDAB Cc1nnc(N2CCC3(CC2)CO[C@@H](COCC(=O)N(C)C)C3)s1 96217077 RLWGSBXCRSLZIH-CYBMUJFWSA-N 354.476 1.327 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C2=CSC3=NCCS(=O)(=O)N23)c1C 96305949 BSXGYSPFBGZPGF-UHFFFAOYSA-N 355.441 1.855 0 40 FDAB Cc1csc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)n1 96217606 XYPACDREBIWBCA-RDTXWAMCSA-N 358.467 1.864 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242481 NKESMFVNITYPOH-UHFFFAOYSA-N 364.511 1.974 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccn(C)n3)C2=O)cc1 96230924 JYHIRPCYMLDORT-AWEZNQCLSA-N 371.397 1.268 0 40 FDAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)CN(C)C)CC[C@@H]3C2)cs1 96082362 AKNOHOAGEBHRDH-GDBMZVCRSA-N 352.504 1.062 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccccn3)C2)nc2c1CC(=O)N2C 257330667 XPJSTRRSTGQQPO-HXUWFJFHSA-N 365.437 1.893 0 40 FDAB CCCn1ccc(C(=O)N[C@@H]2CC[C@H]3Oc4ccccc4N[C@H]3[C@@H]2O)n1 257238060 HJKOKTBBJQDZSC-BNEJOLLZSA-N 356.426 1.788 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cn(C)nc2C)C1 257308636 TXMMVGHPWKINDS-IBGZPJMESA-N 357.458 1.223 0 40 FDAB CNc1cc([C@H]2CCCN2C(=O)CNc2ccc3nncn3n2)ccn1 257306722 SVNJYZMVAWRWTG-CYBMUJFWSA-N 352.402 1.337 0 40 FDAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 262271989 YGOUHDGBPNODCI-OAHLLOKOSA-N 368.455 1.595 0 40 FDAB O=C(O)[C@H]1CC12CCN(C(=O)C1CCN(C(=O)N3CCCC3)CC1)CC2 262373273 MEUSAOKSVBIBBK-OAHLLOKOSA-N 363.458 1.628 0 40 FDAB CN1C(=O)CC[C@H](CNCc2ccc(C(N)=O)cc2)[C@H]1c1nccn1C 1775957728 KIILEFIWAWMEMM-WBVHZDCISA-N 355.442 1.218 0 40 FDAB CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@](C)(O)CC1 625170820 VHPCCMJYRIIGMA-SJORKVTESA-N 359.463 1.950 0 40 FDAB Cc1cc2ncc(C(=O)NC[C@@H]3CCCO[C@H]3c3cc[nH]n3)c(C)n2n1 644185499 OLKLGAFBCQZMMP-SUMWQHHRSA-N 354.414 1.967 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 648048892 AHMAISPKRDPXDM-CQSZACIVSA-N 374.359 1.839 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(Cl)c2C)CCO1 653552891 LPDOFRCZEPDAGO-ZDUSSCGKSA-N 368.817 1.423 0 40 FDAB CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)C1 668292484 ICJCAKBIPGVRDY-BFHYXJOUSA-N 350.419 1.735 0 40 FDAB CC(C)n1cnnc1C1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 600162928 GLZWOAXTWCVHQX-UHFFFAOYSA-N 371.441 1.743 0 40 FDAB Cc1cccc(COC[C@@H]2Cc3c(ncn3C)CN2C(=O)CN(C)C)n1 585094619 FSQCNIJACPUTBB-INIZCTEOSA-N 357.458 1.155 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCCn2cncn2)CCO1 585279071 SIZWWSTYBBUPFB-IBGZPJMESA-N 358.442 1.199 0 40 FDAB COCCN1CCC[C@@]12CCCN(C(=O)c1cnc(N(C)C)o1)CC2 585100106 FULUOQQMEBEDPY-GOSISDBHSA-N 350.463 1.848 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCC(F)(F)CC2)C1 585095865 RAVPDLKMARLTPH-CQSZACIVSA-N 370.400 1.451 0 40 FDAB COCc1nnc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1C 685939875 KYPLIWKPTXSZGI-FZKQIMNGSA-N 358.446 1.855 0 40 FDAB Cn1cnc2cc(C(=O)NCc3ccncc3O[C@H]3CCNC3)cnc21 685940452 ARMZNPRZQNABJJ-AWEZNQCLSA-N 352.398 1.034 0 40 FDAB O=C(CNc1cccc(OCC(F)(F)F)c1)NCC(=O)N1CCCC1 50783274 ASQMSDWAXUYCHF-UHFFFAOYSA-N 359.348 1.778 0 40 FDAB NS(=O)(=O)c1cccnc1N1CCO[C@H](c2ccccc2Cl)C1 78674504 HUFBEDZTVNVVNZ-ZDUSSCGKSA-N 353.831 1.960 0 40 FDAB C[C@@H](NC1CCN(CC(N)=O)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C 95996247 BLVNCZVDPCRWFP-HIFRSBDPSA-N 354.495 1.314 0 40 FDAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)cc1 5427690 GAJBUEVWDFZZAY-UHFFFAOYSA-N 354.366 1.513 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145873 ABEGYLIAKCTMKJ-OAHLLOKOSA-N 369.469 1.687 0 40 FDAB OCCN(CCO)C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421985 SWZSAKWLRXVQPQ-AWEZNQCLSA-N 366.889 1.821 0 40 FDAB C[C@@H]1CC(=O)c2cnc(NC(=O)CSc3nnc(N)s3)nc2C1 13636028 WVROFUXJEJFQOD-LURJTMIESA-N 350.429 1.406 0 40 FDAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716789 VLGYNHXJZUCFBP-HOCLYGCPSA-N 356.488 1.999 0 40 FDAB CC(C)(C)OC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 14676121 QPBFFLHQWZFWKM-UHFFFAOYSA-N 368.411 1.000 0 40 FDAB Cc1nn(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19557097 ZPFWWOBWFGHJHJ-GOSISDBHSA-N 368.485 1.998 0 40 FDAB CN1CCc2nc([C@H]3CCCN3CC(=O)Nc3nccs3)ncc2C1 19590579 SKARFIMDGUJEOI-CQSZACIVSA-N 358.471 1.697 0 40 FDAB CCN(C(=O)Cn1c(=O)c2c(C)cc(C)nc2n(C)c1=O)c1ccccc1 19625504 IOEDCGANJFWMSJ-UHFFFAOYSA-N 366.421 1.765 0 40 FDAB CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 35290352 UDPMSKBTOXXCNZ-UHFFFAOYSA-N 365.484 1.986 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)CCC(=O)O)C=C1COC(=O)[C@]12O 514288274 AHQLBRAJSCUBQQ-GGCQVYRISA-N 366.410 1.824 0 40 FDAB biogenic,in-vitro Cc1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@@]2(CNC(=O)C2)C1 562446419 ODLHBBAGXPAPDG-LJQANCHMSA-N 353.426 1.602 0 40 FDAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-n2cccn2)cc1 253407905 WWWNUILNOGNZEY-COXVUDFISA-N 363.439 1.487 0 40 FDAB Cn1nc2c(c1CN1C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C1)CCC2 895320059 VWAMJNFWDABCPV-CALCHBBNSA-N 364.449 1.526 0 40 FDAB Cc1cnc(C)c(OC2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 2086949983 BWBZESSHKIDCLG-GJZGRUSLSA-N 362.474 1.572 0 40 FDAB CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)Cc3ccc(F)cn3)C2)C1 1565551816 SKOBYOKNSIYAPN-UHFFFAOYSA-N 365.405 1.612 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)CC[C@@H]21 1565549243 OQCXGFOMWMNAPO-DLBZAZTESA-N 362.474 1.419 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cn1 1565554834 GSWXDFSGMSXNFA-FXAWDEMLSA-N 373.497 1.986 0 40 FDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1OC)CC2 1565545025 CAHOGXHYBODGCQ-UHFFFAOYSA-N 361.442 1.581 0 40 FDAB COc1cccc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccncc4)N3N2)c1 4139235 QZDFAZOHZMFLIY-MRXNPFEDSA-N 362.393 1.527 0 40 FDAB Cc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4386369 ROKPGONAYRKIBW-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 10330836 ATDQENSJCHTKKA-INIZCTEOSA-N 369.421 1.451 0 40 FDAB CCCOc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 11692403 ORJISMZRKSOLEX-UHFFFAOYSA-N 355.398 1.374 0 40 FDAB COC(=O)c1ccc(NC(=O)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 15826679 SLGDQUOBOUUXQJ-UHFFFAOYSA-N 373.390 1.824 0 40 FDAB CNC(=O)CN1CCC2(CCCN(C(=O)c3csc(C)n3)C2)CC1 2055793490 JWVMUFOMUJEMNX-UHFFFAOYSA-N 350.488 1.516 0 40 FDAB Cn1ncc2c(N3CCN(c4ccc(-c5ccco5)nn4)CC3)ncnc21 1775979047 YHFMIKAPARPIMF-UHFFFAOYSA-N 362.397 1.740 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)no1 23106722 OHOYQGOVFWUBAQ-LBPRGKRZSA-N 364.427 1.173 0 40 FDAB Cn1ccc2ccn(CCNC(=O)c3cc(-c4ccco4)[nH]n3)c(=O)c21 575414526 ACFYFWAOOSRBAM-UHFFFAOYSA-N 351.366 1.753 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@H]2CCCCO2)CC1 585502938 YURRKORMYJZOBO-QGZVFWFLSA-N 357.458 1.710 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)Nc1cc(-c2ccc3c(c2)OCO3)no1 13642343 IZWKXCSQJHDWAU-UHFFFAOYSA-N 356.294 1.754 0 40 FDAB O=S(=O)(NC[C@@](O)(c1ccco1)C1CC1)c1ccc2c(c1)OCCO2 75154967 HUMQDZXMYGJBLI-KRWDZBQOSA-N 365.407 1.627 0 40 FDAB CN(C)c1cccc2c(S(=O)(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)cccc12 6568836 KPMHEEJRFWEAKY-XHDPSFHLSA-N 364.423 1.114 0 40 FDAB CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1ccccc1)N2C 35442429 ZYRUPJFHSICEBL-NSHGMRRFSA-N 372.513 1.365 0 40 FDAB biogenic,in-vitro COc1ccc(OCc2noc(CN(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 40024630 HUIQSKUGVYNTLP-LBPRGKRZSA-N 367.427 1.276 0 40 FDAB CCCn1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757344 UKJBYTIOYPHQJA-MRXNPFEDSA-N 354.410 1.711 0 40 FDAB biogenic C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccc(F)cc2)CC1 29660673 CDYVFKMYFLISBR-LBPRGKRZSA-N 373.436 1.178 0 40 FDAB O=C1Oc2ccc(O)cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 4041892 NWVNEIDOXFMQFU-QXFUBDJGSA-N 351.361 1.368 0 40 FDAB biogenic O=C(COC1CCCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 52563347 MQGDMQHFVXHBLL-UHFFFAOYSA-N 356.430 1.270 0 40 FDAB CCCCNC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 2640243 LZWJFQBILOLXMS-UHFFFAOYSA-N 359.430 1.503 0 40 FDAB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)c1cn(C)c2ccccc12 102572473 LDALGJBARWHLPH-MLGOLLRUSA-N 373.434 1.382 0 40 FDAB O=C(NC1CCCC1)[C@@H](CS(=O)(=O)c1ccccc1)N1CCOCC1 32913264 LWLVKDFXBBSARN-QGZVFWFLSA-N 366.483 1.220 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCNc2ncccn2)cc1OCC 32913434 MBPWTLYTCCJPRJ-UHFFFAOYSA-N 366.443 1.664 0 40 FDAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccccc4)[C@@H]3C2=O)cc1 100354935 OPOZTSJIWVLSJW-YOEHRIQHSA-N 350.330 1.822 0 40 FDAB O=c1[nH]c2nc(NCc3ccccn3)ncc2c(=O)n1Cc1ccco1 102911198 MPLJSLCJDNQUDG-UHFFFAOYSA-N 350.338 1.128 0 40 FDAB CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8299280 OXSAKFQVHVFSQB-OLMNPRSZSA-N 354.458 1.347 0 40 FDAB biogenic,in-vitro CCCn1c(=O)n(CC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 8328382 GQWSWRAFISUPSS-UHFFFAOYSA-N 352.394 1.951 0 40 FDAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851761 QKQJSXYAMYUEJE-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB biogenic O=C(c1ccc(-n2cccn2)cc1)N1CCN(CCN2CCCC2)CC1 23257348 YYDJAHBODLXVLH-UHFFFAOYSA-N 353.470 1.726 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cccc(F)c2)CC1 24704971 JVTHRFHRTUJOHO-UHFFFAOYSA-N 351.378 1.293 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100377063 XBJPWUIUZSUXFV-YQPCPPDFSA-N 363.753 1.234 0 40 FDAB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCCO2 24997377 DYJZSUXVNJJQFJ-MRXNPFEDSA-N 372.425 1.113 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C)C2)C1 107135956 HIBGSFUWXSWMEZ-RISCZKNCSA-N 355.460 1.561 0 40 FDAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1Cc2ccccc2O1 56892501 WYOBHEJAQDFZDM-AAEUAGOBSA-N 366.464 1.535 0 40 FDAB CCOC(=O)CC[P@@](=O)(O)CCCN1C(=O)c2ccccc2C1=O 1827466 HECACUWVRWTVDD-UHFFFAOYSA-N 353.311 1.896 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1 3209586 HLIAAIMNSAFUGS-UHFFFAOYSA-N 360.863 1.843 0 40 FDAB CCN1CCN(c2ccc(NC(=O)CN3CCCC[C@H]3C(N)=O)cc2)CC1 12635493 LBUCOEDXQVOLNP-SFHVURJKSA-N 373.501 1.107 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2nccs2)CC1 21335300 WLJULAKTBAQESW-UHFFFAOYSA-N 356.451 1.951 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)N3CCN(c4cnccn4)CC3)cc12 48103741 WMNFBRRAIFMCLW-UHFFFAOYSA-N 352.402 1.421 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(N3CCCCC3=O)c2)ccc1=O 25237546 KVCWTBLHUNZQQR-UHFFFAOYSA-N 370.409 1.659 0 40 FDAB CCn1cc(C(=O)NCC(C)(C)N2CCOCC2)c(=O)c2ccc(C)nc21 22089134 CAYIYERYPIKQFP-UHFFFAOYSA-N 372.469 1.565 0 40 FDAB COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1Br 12890431 NNSOVDDGDIVTMR-UHFFFAOYSA-N 351.204 1.925 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416719 KZTOCLNUGZHOME-UHFFFAOYSA-N 351.366 1.478 0 40 FDAB COc1ccc(-n2nnnc2SCC(=O)Nc2c(C)n[nH]c2C)cc1 3429963 PHHHWNTZVICFNR-UHFFFAOYSA-N 359.415 1.742 0 40 FDAB COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(C)C 8764445 HZLUCSZEFQPERW-INIZCTEOSA-N 350.415 1.969 0 40 FDAB biogenic CCCNC(=O)NC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 12920464 KLUJJEMCNFBWLY-UHFFFAOYSA-N 370.409 1.754 0 40 FDAB CN(C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 12909349 YJOOOAPVUJOZGK-UHFFFAOYSA-N 353.488 1.082 0 40 FDAB O=C1NC(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)S1 13512426 DFLUHUHYJXTGCY-DHDCSXOGSA-N 371.418 1.824 0 40 FDAB COC(=O)Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 13941665 ZYXOEDRYKKPFML-UHFFFAOYSA-N 352.346 1.637 0 40 FDAB Cc1cccc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 306137126 QMBUPEUMJIILII-WBVHZDCISA-N 367.453 1.138 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)N(C)C)cc1 14139568 ZHHAHASHZAJNAC-QGZVFWFLSA-N 366.421 1.964 0 40 FDAB CCCCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 14138197 BHOMOWSMRAKEQE-AWEZNQCLSA-N 371.503 1.488 0 40 FDAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 6607141 NYWIEUYGFOGGNW-LLVKDONJSA-N 366.222 1.454 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96000576 LYPIKHKDWUOYLC-HNNXBMFYSA-N 372.406 1.894 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 8021123 HJXVOJMWWRQWIK-UHFFFAOYSA-N 367.402 1.577 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 9667958 CXDPDKAKIFFBKQ-KGLIPLIRSA-N 370.471 1.356 0 40 FDAB O=C(NCCc1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 409003035 QRXDVJYYZBHNBV-WMZOPIPTSA-N 354.406 1.980 0 40 FDAB Cn1c(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)nc2ccccc21 79502019 GRCOQPSSFQSVRU-UHFFFAOYSA-N 370.409 1.047 0 40 FDAB O=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@@H]1C[C@@H]1c1ccccc1F 84502267 WHUQBONTPZWGHJ-HUUCEWRRSA-N 363.385 1.838 0 40 FDAB COC(=O)[C@](C)(O)CN1CCO[C@H](c2cccc(Br)c2)C1 95961035 XEYBVDKSXOUEBL-DZGCQCFKSA-N 358.232 1.746 0 40 FDAB Cc1cc[nH]c(=O)c1C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 95997791 QAKFJQNFHSXHNJ-UHFFFAOYSA-N 363.483 1.547 0 40 FDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@@H]1CCS(=O)(=O)c2ccccc21 89857872 CKPJJXWNICSEBJ-NUJGCVRESA-N 372.446 1.863 0 40 FDAB Cc1ccc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)s1 306138421 RXGJIORHKSDLMT-GOEBONIOSA-N 372.494 1.804 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20456794 XIILJNOEMHLYIR-WBVHZDCISA-N 367.515 1.642 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306129250 HYNPGKQXEIFZMA-HZSPNIEDSA-N 350.440 1.132 0 40 FDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 36393622 OVNDPUIRWWSIHA-LLVKDONJSA-N 371.402 1.903 0 40 FDAB CN(C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](O)C2)c[nH]1)c1ccccc1 521396874 BQPDIABSPHGTPE-CQSZACIVSA-N 363.439 1.437 0 40 FDAB O=C(Nc1onc2c1CCCC2)[C@H]1COCC(=O)N1Cc1ccccc1 75164220 OTXFZNBFHILUNN-MRXNPFEDSA-N 355.394 1.920 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)n1 44394539 XIVNQCCUQNKQAG-UHFFFAOYSA-N 364.808 1.693 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(OC)cc1 41157903 WXKSMXFYAIIOSN-KRWDZBQOSA-N 370.405 1.326 0 40 FDAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(C)=O)s2)cc1 223473834 MJJWVBPDDUWCDH-UHFFFAOYSA-N 356.429 1.326 0 40 FDAB COc1ccc(C(=O)CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 95479788 UEPFNXGOCJUETE-UHFFFAOYSA-N 351.362 1.555 0 40 FDAB CN(C)c1cccc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)c1 253394895 BJWCLLDYPNUTJN-UHFFFAOYSA-N 355.373 1.427 0 40 FDAB Cn1ccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)C[C@]3(C)C2)cc1=O 1092053983 IJEUECCMNSKFGU-UWVAXJGDSA-N 355.482 1.856 0 40 FDAB C[C@H]1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@@H]1CO 621370038 ANWFMPNNWUQEGN-UONOGXRCSA-N 353.426 1.971 0 40 FDAB CN1CCN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)Cc2ccccc21 640262045 AQHRCHLBBUECDP-UHFFFAOYSA-N 369.429 1.525 0 40 FDAB CCc1oc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)[C@H]2CCCC(=O)N2)cc1C 1775992546 RJAHJUGDRVHWAY-QLFBSQMISA-N 373.453 1.635 0 40 FDAB CO[C@@H]1C[C@H](CNc2nc(C)cc(C)n2)N(c2cc(N(C)C)ncn2)C1 1775959542 FPPXDLVPDKNSNK-HUUCEWRRSA-N 357.462 1.655 0 40 FDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)OC1 575404836 OZHRDNNHVPFDCX-CQSZACIVSA-N 372.469 1.532 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575405170 WQZKSOZWIMSHEO-CQSZACIVSA-N 364.467 1.927 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)N2CCC(F)(F)CC2)C1 575404468 MVBAAUORIYXGCR-XBFCOCLRSA-N 352.385 1.680 0 40 FDAB CN1C(=O)N[C@](C)(c2ccc(NC3CCN([C@H]4CCOC4)CC3)cc2)C1=O 585091320 KHVSCBJVMVRQPP-FXAWDEMLSA-N 372.469 1.749 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(C(=O)C2=CCCCC2)Cc2cccn2C1 585095195 HBOYKEAIGBOCJV-OAHLLOKOSA-N 365.499 1.886 0 40 FDAB CCN(CC)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 585283695 BRQLARGDIQCZGB-WMZOPIPTSA-N 354.878 1.549 0 40 FDAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(Cc3nccs3)C2)C1 585101112 DXKSQZYNCLXUFQ-CYBMUJFWSA-N 362.377 1.933 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)C[C@@H](O)C1(C)C 585290211 OQKYUQKMFBYXKF-FUTAKVPZSA-N 374.485 1.434 0 40 FDAB O=C(CN1CCC(O)(COc2ccccc2)CC1)NCc1ccccn1 585271572 HKSCHCPVPJKMRL-UHFFFAOYSA-N 355.438 1.604 0 40 FDAB CCN(CC)CCSCC(=O)NCc1ccc(S(=O)(=O)NC)cc1 72301470 ZMKSJOSDHPRJKC-UHFFFAOYSA-N 373.544 1.286 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](S(=O)(=O)C(C)(C)C)C1 96103444 RGWJRZLCAQNCRB-LBPRGKRZSA-N 363.505 1.013 0 40 FDAB COC(=O)c1cc(C)nc2c1c(C)nn2S(=O)(=O)c1cn(C)nc1C 12398489 ARPBUARBCVMMKU-UHFFFAOYSA-N 363.399 1.114 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccsc1 16133785 XDYCGGURYWTOKA-UHFFFAOYSA-N 366.420 1.142 0 40 FDAB CCNc1nc(N)nc(OCCNC(=O)Nc2cccc(Cl)c2)n1 16887211 UPTHHJOPVPGEME-UHFFFAOYSA-N 351.798 1.740 0 40 FDAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3cc[nH]n3)cc2)n1 19287090 VVDDRMQLYMUKQT-UHFFFAOYSA-N 364.409 1.807 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2nc(-c3ncccn3)no2)C1 19403980 XTVUELSJRMGCQY-LBPRGKRZSA-N 365.349 1.885 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC(CCN4CCOCC4)CC3)nc2n1 19717395 ZFMQZNNPQIGEOQ-UHFFFAOYSA-N 372.473 1.316 0 40 FDAB Cc1ncncc1C(=O)N1CCC([C@@H]2CCCCN2S(C)(=O)=O)CC1 19746996 QYHYRYLBGWEUGZ-INIZCTEOSA-N 366.487 1.451 0 40 FDAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 8091539 TWPHNGIQXAQHDI-BJMVGYQFSA-N 354.746 1.423 0 40 FDAB CC(C)CC(C1C(=O)OC(C)(C)OC1=O)C1C(=O)OC(C)(C)OC1=O 5380422 QSUDWQLNKMQWFN-UHFFFAOYSA-N 356.371 1.553 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 108459167 RNPDYZXFLDQTOW-AVGNSLFASA-N 357.480 1.072 0 40 FDAB COc1cc(OC)nc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 1888850052 BHGJEPLIDCRQMT-UHFFFAOYSA-N 370.335 1.629 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(c4ncncc4F)CC3)nc(C)n2)n1 1889139146 JTXFTWLSKOQUIB-UHFFFAOYSA-N 368.420 1.843 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CC(Cn4cc(C)cn4)C3)CC2=O)cc1 1848634552 XNIIMUBDOKMNHZ-MRXNPFEDSA-N 368.437 1.712 0 40 FDAB COCc1ccc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1 1148444821 VXVGPWUTWZKZJH-HXUWFJFHSA-N 368.437 1.836 0 40 FDAB Cc1nc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cs1 1565549023 LQTZUUYYMSHQJE-RHSMWYFYSA-N 365.499 1.793 0 40 FDAB C[C@H](c1ccccc1)N1CCC[C@@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542228 DATVNECJOHPLTH-QAPCUYQASA-N 350.484 1.717 0 40 FDAB CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 4519348 COKJBGZSXUMYQL-LLVKDONJSA-N 356.425 1.108 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cocn2)CC1 2055750679 PZHYKJCOKRGLJL-UHFFFAOYSA-N 358.398 1.516 0 40 FDAB CCc1cnc(OC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc1 1775972640 OVIATBJGEMYDBN-UHFFFAOYSA-N 366.443 1.876 0 40 FDAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CC4)CC3)nn2)cc1 42917938 YXFFJVBPIUHDPM-UHFFFAOYSA-N 353.426 1.707 0 40 FDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)n1 49524413 XFLUPJPFKIBZJD-UHFFFAOYSA-N 369.425 1.382 0 40 FDAB Cn1cc(CN2CCOC[C@@]3(Cc4ncc(-c5cncnc5)n4C3)C2)cn1 503728696 DASZCWURYKFXTC-IBGZPJMESA-N 365.441 1.149 0 40 FDAB Cc1nc2ccccc2nc1COC(=O)[C@H](CO)NC(=O)c1ccccc1 40156475 LVENQHWGZWTWBO-KRWDZBQOSA-N 365.389 1.772 0 40 FDAB CC(=O)N[C@]1([C@@H](O)c2c[nH]c3ncccc23)C(=O)N(C)c2ccccc21 40310352 BHQZXJJWCICVHM-QFBILLFUSA-N 350.378 1.604 0 40 FDAB biogenic O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 45858776 VMHQLTUMOPATFA-BXUZGUMPSA-N 359.407 1.913 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 101659722 CGQSRUHKPFAXCF-KDOFPFPSSA-N 365.433 1.958 0 40 FDAB CN(C)c1ncccc1CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 32688079 PULDZSRFSZPSQL-UHFFFAOYSA-N 373.457 1.409 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2615943 ZYVJMGKBPSKTNK-UHFFFAOYSA-N 369.487 1.314 0 40 FDAB COc1ccc(NC[C@H](O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 6740958 UHVCHBZRTZMATO-RYRKJORJSA-N 369.465 1.749 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCC[C@@H]1C 32935879 OSJADYNMMZSQLB-XJKSGUPXSA-N 352.456 1.706 0 40 FDAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)on1 8416745 KVLJVLMLGYJFDZ-UHFFFAOYSA-N 361.354 1.892 0 40 FDAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc2c(c1)OCCO2 8559601 KONMVBWFMSRUME-UKRRQHHQSA-N 360.410 1.327 0 40 FDAB COc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1 8670676 VQBUREUAMXKMHN-UHFFFAOYSA-N 363.428 1.562 0 40 FDAB CCCN(CN1C(=O)NC2(CCCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 22014628 HGGBWJQQAVSPRV-AWEZNQCLSA-N 371.503 1.488 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCc1cc(F)cc2c1OCOC2 41629758 XFZVNGOQCMILOE-UHFFFAOYSA-N 356.375 1.818 0 40 FDAB CN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 100164732 YAFNSGRWAMGEPN-YZLZLFLDSA-N 353.422 1.199 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)cc1F 23350791 POJGAHHADCUDAG-UHFFFAOYSA-N 363.418 1.819 0 40 FDAB NC(=O)Cn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CC1 23350810 UESGUGQRQXSSHN-UHFFFAOYSA-N 363.487 1.740 0 40 FDAB COC(=O)Cn1ncc(N2C[C@@H](C)C[C@@H](C)C2)c(Br)c1=O 12417578 MNBBFEZATNQOCD-AOOOYVTPSA-N 358.236 1.661 0 40 FDAB COc1ccccc1N1CCN([C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 12551552 ZAZHFUDQIIOASI-BBWFWOEESA-N 361.486 1.842 0 40 FDAB Cc1cccc(N2CCN(C(=O)COC(=O)c3cnn(C)c3)CC2)c1C 12534693 DQJDOHSHUGSLFP-UHFFFAOYSA-N 356.426 1.543 0 40 FDAB Cc1nn([C@@H](C)C(=O)N[C@@H](C)CN2CCOCC2)cc1Br 22276787 CISMAEPXBRHKCE-JQWIXIFHSA-N 359.268 1.352 0 40 FDAB Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1C 58186412 OZYAYLSDKMRYLA-UHFFFAOYSA-N 359.407 1.658 0 40 FDAB COCCOc1ncccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 58193336 PNTPGMGONIAPFO-UHFFFAOYSA-N 356.382 1.550 0 40 FDAB CN(CCNC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1 22326386 YCFKBJIJLJIBCI-UHFFFAOYSA-N 361.467 1.705 0 40 FDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)CCn1cnc2ccccc21 10237845 SYNIODKEAXRSFE-UHFFFAOYSA-N 366.487 1.603 0 40 FDAB C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC(C)(C)O1 58208950 ONXPWUCMTMNQSY-GFCCVEGCSA-N 358.435 1.520 0 40 FDAB Cn1nccc1C(=O)N1Cc2cncn2[C@H](COCc2ccccn2)C1 306122994 ABTBZQIGPRLJNH-INIZCTEOSA-N 352.398 1.426 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2F)C1 58357728 KVTIQXQJHLMAHG-LLVKDONJSA-N 361.414 1.261 0 40 FDAB CCOc1ccc(OCC)c(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 10663970 YPKCTUVMXIRTJG-UHFFFAOYSA-N 370.471 1.638 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(C3CC3)C1=O)OCO2 12758626 STVSMNDQQSJLFB-SFHVURJKSA-N 373.365 1.277 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2c(O)n3c4c(cccc4c2=O)CC3)CC1 13123938 IUVZCYNGTLYDMG-UHFFFAOYSA-N 371.393 1.178 0 40 FDAB CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 408892341 IFACTDFATVIVMX-UHFFFAOYSA-N 370.471 1.773 0 40 FDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 20798730 CPBFWEVQVYCDMK-OAHLLOKOSA-N 366.364 1.872 0 40 FDAB Cc1ccc(CNC(=O)COCC(=O)N2CCN(c3ccccc3)CC2)o1 13944001 WOXHYNUJXYVCII-UHFFFAOYSA-N 371.437 1.570 0 40 FDAB COc1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)cc1Cl 28228249 XCMDVYKASJRWTP-DGCLKSJQSA-N 356.806 1.899 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O 6658973 DKFAFQUIOKMMIO-UHFFFAOYSA-N 372.421 1.917 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc2c(c1)NC(=O)CS2 6649210 ULVPHZQJQOJNPE-UHFFFAOYSA-N 359.407 1.712 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 5628811 OMARXBVBONKFST-UHFFFAOYSA-N 357.410 1.687 0 40 FDAB COc1cccc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)c1 15228038 DUSWUPSAFWUIQU-UHFFFAOYSA-N 374.418 1.981 0 40 FDAB Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccccc1)c1c(N)[nH]c(=S)[nH]c1=O 7044872 AFCQMXRWCZHURQ-UHFFFAOYSA-N 374.451 1.523 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1 7141086 BUJQXICFSJMPBD-UHFFFAOYSA-N 366.329 1.687 0 40 FDAB O=C(COc1ccccc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 19229479 FLLDWERHMAPXGN-SFHVURJKSA-N 370.449 1.650 0 40 FDAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 9418381 ZTPCUFKNBYJAQN-RYUDHWBXSA-N 354.453 1.899 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408601788 HJMNUEBKXOOYMZ-AWEZNQCLSA-N 372.487 1.683 0 40 FDAB CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCN(C)C3)cc21 97212558 UZZOHXCCBLIPNG-OAHLLOKOSA-N 351.472 1.358 0 40 FDAB CCc1c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cnn1-c1ccc(C)cc1 95407677 DOVGQNCDCDKGKT-MRXNPFEDSA-N 367.409 1.119 0 40 FDAB 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224217279 DDLIOXQAMXARKZ-UHFFFAOYSA-N 367.203 1.599 0 40 FDAB O=C(N[C@H]1CCCc2occc21)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 332805705 BWGLSMWJDPWKDG-HACGYAERSA-N 368.455 1.693 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 96224433 SOQLZRJAFWYALB-LJQANCHMSA-N 353.426 1.470 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c[nH]1 95475776 LYDWNNDSYXHIMY-UHFFFAOYSA-N 366.377 1.665 0 40 FDAB CC(C)CC(=O)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96145460 HECDFPPVJVISEI-IAGOWNOFSA-N 365.499 1.880 0 40 FDAB O=C(CN1CCC=C(c2cccnc2)C1)N1CCN(c2cnccn2)CC1 333406648 JLLPNRYAAYNLKB-UHFFFAOYSA-N 364.453 1.310 0 40 FDAB O=C(c1cnn2cccnc12)N1CCC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96228389 VSRATAMYECEXIG-OXQOHEQNSA-N 369.469 1.836 0 40 FDAB O=C(Cc1ccccc1)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240944 UWUJQLFLDUCJFD-SFHVURJKSA-N 372.465 1.343 0 40 FDAB COCCC(=O)N1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 96228194 VMYSEKHJISLKJO-UHFFFAOYSA-N 351.472 1.972 0 40 FDAB O=C(Nc1nncs1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 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CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCn3nccc3C2)cc1 390830294 KAOLYHGPYQYMQT-OAHLLOKOSA-N 361.467 1.739 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NC2CC(F)(F)C2)C1 585095747 HZTUHTAXBIGGHO-SWHYSGLUSA-N 352.385 1.726 0 40 FDAB CO[C@@H](CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O)C1CCCC1 585097987 FPHAXSWYOVYNJH-HNAYVOBHSA-N 359.426 1.758 0 40 FDAB CN(Cc1ccccc1)C(=O)CNC(=O)NCC(=O)Nc1ccccc1 50141275 UYOVAKYCXVNZQY-UHFFFAOYSA-N 354.410 1.583 0 40 FDAB COc1ccccc1C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1 57142394 RQMBMFUDNCPGDU-UHFFFAOYSA-N 352.398 1.714 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3cccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11851681 RLNWDZPIVGNOKU-JYKNGBAOSA-N 369.439 1.761 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1 12540007 HBUMYWQDMSHYQW-UHFFFAOYSA-N 374.397 1.589 0 40 FDAB Cn1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2 16848291 FGKBTESCSJPHFT-UHFFFAOYSA-N 374.466 1.946 0 40 FDAB CCC[C@@H]1NC(=O)N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365121 XZULMLNRPGSUKN-CJNGLKHVSA-N 374.441 1.571 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(=O)n5ccccc5n4)C[C@@H]3C2)n1 1888879241 BXXGGJQZCHXPIL-OKILXGFUSA-N 364.409 1.066 0 40 FDAB CC(C)c1nnc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)s1 1888897538 PVIZOYHQXUETJY-RYUDHWBXSA-N 370.486 1.911 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)c1 1888913921 SCECMEOVITWREE-GJZGRUSLSA-N 364.409 1.341 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2c(OC)cc(=O)n3c2CCC3)CC1 244942754 CYJWZRFEBNSJKD-UHFFFAOYSA-N 363.414 1.154 0 40 FDAB CCOc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 4250830 RKWIGOLOMVUBSU-UHFFFAOYSA-N 353.382 1.681 0 40 FDAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)c1 4912548 YLHMERUJQWEYTB-UHFFFAOYSA-N 365.437 1.968 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1O 5272454 LYZFYECKAFUETC-UHFFFAOYSA-N 366.782 1.829 0 40 FDAB Cc1ccc(C)c(Cn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 5251860 KGDSOJMYHNTDIR-UHFFFAOYSA-N 351.410 1.660 0 40 FDAB COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccncc3)cn2)cc1 13807345 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FDAB COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2s1 2722840 YPVCTFJIJDYNFC-UHFFFAOYSA-N 361.423 1.644 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cncn2-c2ccccc2)cc1 8136030 XVVIJFHGXLTGML-UHFFFAOYSA-N 356.407 1.450 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCOCC2)nc1)OCc1ccccc1 22143377 DSYUCVULZOKBOO-UHFFFAOYSA-N 355.394 1.391 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O 22725912 JBTMYNVVVWKFEA-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)NC[C@H]1CCCO1 9741352 LLNRHMVELMZDEB-FOIQADDNSA-N 371.437 1.455 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccccc3)CC2)cc1 12543489 UPGGSKPHXVNRGZ-UHFFFAOYSA-N 373.478 1.940 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)[C@H]3CC=CC[C@H]3C1=O)CC2 12551700 RWZDYYWXIYPIMN-IYBDPMFKSA-N 356.422 1.971 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)c(C)c2)CC1 24515494 VYERIMXJAXIFTQ-HNNXBMFYSA-N 374.514 1.924 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CSc2nccn2C2CC2)c2ccccc2O1 12538840 PJIGUWVJORHBKR-OAHLLOKOSA-N 372.450 1.850 0 40 FDAB COc1ccc(OCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3292718 GMGDYMHVWCGETA-UHFFFAOYSA-N 350.396 1.750 0 40 FDAB CS(=O)(=O)N(Cc1ncc(C(=O)O)c(=O)[nH]1)c1ccc(Cl)cc1 20134286 ADLFGIXRRRNJRK-UHFFFAOYSA-N 357.775 1.088 0 40 FDAB Cn1c(=O)n(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 12754922 GQAFGFWYYVTFOW-QGZVFWFLSA-N 352.394 1.073 0 40 FDAB CS(=O)(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12 2208342 TUTWFXPCRFCHDT-UHFFFAOYSA-N 353.407 1.994 0 40 FDAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC(=O)NCc1ccco1 36380550 LMZVFSRGYALHRO-UHFFFAOYSA-N 360.389 1.567 0 40 FDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1O 2360199 BOFLKKHCJHOZCO-UHFFFAOYSA-N 350.308 1.326 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccc(F)cc2N1 11332873 VZBBLNTWGKTISP-AWEZNQCLSA-N 371.368 1.829 0 40 FDAB O=C1CN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c2ccccc2N1 3592718 QWEHCRGMQYGAHE-UHFFFAOYSA-N 370.409 1.617 0 40 FDAB CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 24739796 JQPGDLJFVHNNNO-UHFFFAOYSA-N 353.469 1.856 0 40 FDAB CCNC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)CC1 14024987 UVNHOSICWUGQNH-UHFFFAOYSA-N 367.449 1.885 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4505328 HIVGGQGNYVQAMP-ZDUSSCGKSA-N 361.485 1.529 0 40 FDAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1 14245211 TYLHBGMWLOMSHJ-UHFFFAOYSA-N 360.395 1.744 0 40 FDAB CC(C)c1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 6540689 IHOYUCMYFKJLRV-UHFFFAOYSA-N 361.398 1.622 0 40 FDAB CN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 6553130 ALZCOQJCGBVHKK-URZJAHPPSA-N 369.483 1.392 0 40 FDAB Cn1c(SCC(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC3 5570734 YRWIBNCHHRSISH-UHFFFAOYSA-N 364.452 1.128 0 40 FDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1 5754968 BWAUUUMMKSPCII-UHFFFAOYSA-N 355.325 1.787 0 40 FDAB O=C1SCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976096 YCFOBXORKLGKJF-OCCSQVGLSA-N 350.415 1.365 0 40 FDAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCS(=O)(=O)C1 67982528 JLFGJOLYJGHFRN-LLVKDONJSA-N 364.448 1.887 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)n1 7530498 OTGWNIBTUINASP-UHFFFAOYSA-N 361.406 1.664 0 40 FDAB COc1cccc(/C=C\C(=O)N2CC[C@@H](OCC(N)=O)C2)c1OC(F)F 96055554 WISRCZMUVYTMSP-FOQNGQEVSA-N 370.352 1.413 0 40 FDAB CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCCO2)c1 96008905 AJGRIHCRVQKMLX-UHFFFAOYSA-N 370.246 1.179 0 40 FDAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CCNC(=O)c1ccoc1 96998196 HFMUENCBSBDRBU-DOMZBBRYSA-N 355.394 1.794 0 40 FDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccco1 71796026 ADGFDECMKLUXCA-CYBMUJFWSA-N 353.419 1.675 0 40 FDAB CCCNC(=O)CNC(=O)Nc1ccccc1CN1CCSCC1 72049405 LLHPVQCENOSFLM-UHFFFAOYSA-N 350.488 1.883 0 40 FDAB CCc1nnc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)s1 72409642 WCUZNCIDBPCBGK-QGZVFWFLSA-N 351.520 1.871 0 40 FDAB CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(C)c(F)cc1F 84674550 VLRRNNVSBLVRCH-JTQLQIEISA-N 355.428 1.717 0 40 FDAB Cc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C 9918099 USYXTVQECJKWGB-UHFFFAOYSA-N 369.487 1.198 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 75094024 NEESXVCOGIRWNV-CQSZACIVSA-N 355.460 1.011 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 32641375 ZPHPTHUEDKGWNP-HIFRSBDPSA-N 353.440 1.196 0 40 FDAB COCCCN[C@@H](C(=O)O)c1cn(CC(=O)O)c2ccc(OC)cc12 36354383 KBXFEGONMPQCAM-MRXNPFEDSA-N 350.371 1.486 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)COC 218205263 QKADZLWLXDYNMR-HZSPNIEDSA-N 362.289 1.941 0 40 FDAB COc1ccc2nnc(CCCC(=O)Nc3nnc(C4CC4)s3)n2n1 71284981 LJVJAIDDPWBBHC-UHFFFAOYSA-N 359.415 1.823 0 40 FDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(O)c(C(=O)OC)c2)c1C 40267716 NJICCODVUQXGGF-UHFFFAOYSA-N 374.397 1.267 0 40 FDAB C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C(=O)N(C)C 40121210 NQPCDRJGBJJPNF-IUCAKERBSA-N 361.211 1.948 0 40 FDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CN2Cc3ccccc3C2=O)n1 329085854 ULHGZHLUMZWFOK-BZNIZROVSA-N 356.382 1.322 0 40 FDAB COc1cccc(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 225220617 TUYRWSFYPOUGCD-INIZCTEOSA-N 370.471 1.537 0 40 FDAB COCC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96143013 HVXOOBZWRRMVLN-KRWDZBQOSA-N 350.440 1.175 0 40 FDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCC1CCOCC1 96113909 MPVRHVFDLKVWNP-INIZCTEOSA-N 359.426 1.082 0 40 FDAB biogenic O=C(c1ccc[nH]1)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96087805 XHROYVDZMGBWLQ-JSGCOSHPSA-N 361.423 1.359 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)c3cccs3)C2)O1 96206592 WXBDAVMGHZVLRO-IUODEOHRSA-N 358.485 1.451 0 40 FDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95474775 YYGSDKZYFDJSQR-GFCCVEGCSA-N 367.384 1.809 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(C(=O)N1CCCC1)C2 96056992 UPJBOSCZWWZNOP-MAUKXSAKSA-N 353.463 1.178 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)cc1 248002219 DNPJBYDEYNVRNB-DJIMGWMZSA-N 364.467 1.253 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc4ccccc4s3)C2)CN1C 248098358 YXKBCOSQPWROGX-ZDUSSCGKSA-N 359.451 1.173 0 40 FDAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCN)C3)c2n1 257274360 NKRBGWKURKVDLU-LJQANCHMSA-N 357.458 1.077 0 40 FDAB COCC(=O)N1CCC(c2cc(N3C(=O)OCC3(C)C)nc(C)n2)CC1 257207383 BHMTZCDLPHYPNB-UHFFFAOYSA-N 362.430 1.873 0 40 FDAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(C(=O)c3ccsc3)[C@@H]2C[C@@]1(C)O 257263845 LRSRKXLSHPAEBA-KCYZZUKISA-N 352.456 1.397 0 40 FDAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CCCCN 257310046 UDMIIOPHPNAROR-UHFFFAOYSA-N 371.485 1.549 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257260703 LDZDNKWSWGNBIQ-SFHVURJKSA-N 370.453 1.422 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2nccc3ccccc23)CCO1 681943147 TZEJHVLNIFTOQH-HNNXBMFYSA-N 371.393 1.009 0 40 FDAB CCC[C@@H](OCC)C(=O)N1CCC([C@@H]2NC(=O)CC[C@H]2NC(C)=O)CC1 1775996643 BLGGDLRPFZPPQE-NUJGCVRESA-N 367.490 1.214 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)OC 96385189 XQIWUAOKJHLDRF-QGZVFWFLSA-N 372.377 1.866 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 575404466 MVBAAUORIYXGCR-KWCYVHTRSA-N 352.385 1.680 0 40 FDAB COCCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1 656647638 WOTGVDGCPYXVAV-CQSZACIVSA-N 365.411 1.297 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2ccncc2)C1 585095736 GXQNQVMQNFTSPN-FHLIZLRMSA-N 367.453 1.566 0 40 FDAB Cc1nc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)cs1 585110621 MIDFEQOAROGDRZ-UHFFFAOYSA-N 373.482 1.763 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)n(C)n1 585111750 AMXUZDDYMAVNML-HNNXBMFYSA-N 368.441 1.895 0 40 FDAB CO[C@H]1CN(C(=O)Cn2cccnc2=O)CC[C@@H]1Cc1ccccc1C 585279498 MYHWIDHLXWJDTQ-MSOLQXFVSA-N 355.438 1.658 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@H]1C 585096299 GOAYLMZOIHGPPW-NFAWXSAZSA-N 353.426 1.767 0 40 FDAB CN1C(=O)[C@@H](NC(=O)c2cnc(C3CCNCC3)[nH]2)Cc2ccccc21 685942096 LEJRILOIBLAYRY-AWEZNQCLSA-N 353.426 1.194 0 40 FDAB CCOC(=O)C[C@H](C(=O)OCC)[S@](=O)CP(=O)(OCC)OCC 5759695 GYWJUTGZJPKZEF-BGJPBQGDSA-N 372.376 1.844 0 40 FDAB COc1cc(C(=O)NCCOC(=O)c2cccnc2)cc(OC)c1OC 5526627 CWVWXBZQINHNCE-UHFFFAOYSA-N 360.366 1.694 0 40 FDAB O=C(c1cnccn1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12143227 SIVYCFGEXHPAMH-UHFFFAOYSA-N 353.361 1.747 0 40 FDAB O=C(c1cc(F)cc(F)c1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181469 WQOKRPSJQBNJTJ-UHFFFAOYSA-N 360.364 1.847 0 40 FDAB CS(=O)(=O)N1CC(=O)O[C@H](Cn2c3ccccc3c3ccccc32)C1 12249901 YJVXAXFAXPAWQB-ZDUSSCGKSA-N 358.419 1.982 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O 14139253 NRAFQNZRPBRGHH-GJZGRUSLSA-N 374.437 1.911 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 14606996 OEANKOZJRBPFLK-OAHLLOKOSA-N 368.393 1.999 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(O)c1 15920240 BROYFEJZVCUECR-JEWRLFTDSA-N 364.394 1.558 0 40 FDAB O=C(CC1(O)CCCCC1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 19403878 AFYYAMJEXCIUEX-ZDUSSCGKSA-N 357.414 1.928 0 40 FDAB CCN1C[C@@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1=O 19526971 OVIXYOCFVFIUBD-HNNXBMFYSA-N 371.485 1.039 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 643431498 MNUCSPZBWRSTPA-LOWVWBTDSA-N 357.815 1.154 0 40 FDAB Cn1c(N2CCN(c3ccc4nccn4n3)CC2)nc2ccsc2c1=O 1888987375 BCBMFGXMPMLLNL-UHFFFAOYSA-N 367.438 1.364 0 40 FDAB Cc1cc([C@H](O)CNS(=O)(=O)c2cccc3nsnc23)c(C)o1 1565519942 XBMOZZBMAPBGDD-GFCCVEGCSA-N 353.425 1.913 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@H](NCC(=O)N1CCCC1)CC2 2055734766 UFJIZZXIBMKPAM-CYBMUJFWSA-N 372.425 1.267 0 40 FDAB CN1CCN([C@H](CNC(=O)c2ccco2)c2ccc3c(c2)OCO3)CC1 22577293 ALJUHSPDULNZCC-OAHLLOKOSA-N 357.410 1.727 0 40 FDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccncc1 23106803 IYFSXBXHNFLEKT-CQSZACIVSA-N 360.439 1.271 0 40 FDAB CC(C)CCn1nc2c(S(=O)(=O)N3CCCCC3)cccn2c1=O 49006274 LSIGVKNNCQBOBN-UHFFFAOYSA-N 352.460 1.717 0 40 FDAB Cc1ccc(CC(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)cc1 19210007 HEPXAVKXXQAYGH-INIZCTEOSA-N 364.453 1.571 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3 15905295 UROUHZNCYQHZAL-AXVVYFOYSA-N 353.422 1.422 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c1 31183799 MBMJXAQNRXVYBA-INIZCTEOSA-N 369.421 1.757 0 40 FDAB COC(=O)c1ccc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 101352187 PGCPATDZHBZPEF-UHFFFAOYSA-N 360.395 1.039 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2cc[nH]n2)cc1 29277837 TXAIYAZCSMTFIZ-GJZGRUSLSA-N 350.378 1.966 0 40 FDAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C 11635305 NDAHIUSWELFZTH-CYBMUJFWSA-N 368.503 1.953 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)c1 32797285 XIWFSDJLURLXJH-MRXNPFEDSA-N 358.486 1.527 0 40 FDAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NC1CC1 4859245 ARRNKRUBVHDQHF-UHFFFAOYSA-N 374.466 1.266 0 40 FDAB CCOc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 7053626 WJAIQJKHOWTBID-UHFFFAOYSA-N 356.425 1.534 0 40 FDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1F 7975272 KJDWOBINXSBOPU-LLVKDONJSA-N 355.329 1.985 0 40 FDAB COC(=O)c1ccc2c(=O)n(Cc3cccc(NC(C)=O)c3)c(=O)[nH]c2c1 32930006 FIAKGXDGAZSCNK-UHFFFAOYSA-N 367.361 1.483 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997668 YPZDHPFKNQQTKU-NSHDSACASA-N 360.457 1.138 0 40 FDAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1 53667098 KFWBPEATZOFOLU-ONEGZZNKSA-N 352.441 1.018 0 40 FDAB Cn1c(=O)n2n(c1=O)C1(C=CC2)[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101050675 YDAUPNKJBZKOFU-HTQZYQBOSA-N 367.302 1.845 0 40 FDAB NS(=O)(=O)c1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1 12429203 GRYLYRGXLMEZHR-UHFFFAOYSA-N 350.440 1.610 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc(O)cc2)CC1 24165199 JGYCEVVKZHLCQM-AWEZNQCLSA-N 368.437 1.640 0 40 FDAB Cc1nccc(-c2cccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)n1 25168613 YIZDPJQVEAPNSF-MRXNPFEDSA-N 360.439 1.815 0 40 FDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 57354916 VHJQMLHEOWCFFI-CYBMUJFWSA-N 350.438 1.961 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 57350055 WEEWLBPRHIUQNS-UHFFFAOYSA-N 359.426 1.908 0 40 FDAB CN(C)c1nc(N)nc(CN2CCC(C(=O)NCc3ccccc3)CC2)n1 27367971 JKWCYIQKQILDOD-UHFFFAOYSA-N 369.473 1.048 0 40 FDAB Cn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21 100825444 BUXHTSBTUGFKFH-MSUUIHNZSA-N 365.480 1.259 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 100421778 MZOGZDBHDYRXRZ-QCUYGVNKSA-N 372.352 1.801 0 40 FDAB C[C@H](C(N)=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 58202087 HGJFJMKDEGXTCL-SNVBAGLBSA-N 354.248 1.973 0 40 FDAB CNC(=O)NC(=O)CNc1cc(F)c(I)c(F)c1 58202022 SXCQFFMAKXHAHQ-UHFFFAOYSA-N 369.109 1.437 0 40 FDAB Cn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc(=O)n(C)c1=O 27969711 QJKLLVWFOSZACU-UHFFFAOYSA-N 373.800 1.235 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1 3319302 KWXLSRFDFFPUFU-UHFFFAOYSA-N 362.426 1.617 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1cccc(N2CCNC2=O)c1 48236688 OCOHSIFJVVTSAJ-UHFFFAOYSA-N 363.381 1.122 0 40 FDAB Cc1cccc(C)c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12775606 PVXYNXUULPYQPL-ZDUSSCGKSA-N 363.439 1.407 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 3437439 MQEIAWOWUNEYMM-UHFFFAOYSA-N 364.405 1.894 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 3497844 WLZVUCPLUJKLHH-HNNXBMFYSA-N 356.334 1.107 0 40 FDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NC[C@@H]1CCCO1 3491764 ZCIXYANCKQTLQF-LBPRGKRZSA-N 363.443 1.367 0 40 FDAB CN1CCO[C@@H](CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 62581744 UAAIDUICHZJXHE-UCFODXPJSA-N 371.481 1.385 0 40 FDAB CNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 48605393 IVISDSWKHOFLGR-UHFFFAOYSA-N 357.435 1.940 0 40 FDAB C[C@]12C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)N1CCc1c2[nH]c2ccccc12 4042614 VKJLHLPVZYUVCS-ZMZPIMSZSA-N 373.434 1.391 0 40 FDAB biogenic CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4085044 LFQJPEYSPBOGRQ-HUBLWGQQSA-N 366.464 1.579 0 40 FDAB biogenic C[C@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1CCc1c2[nH]c2ccccc12 4029699 ZVLLOOYYXHBFPO-RBZFPXEDSA-N 353.422 1.789 0 40 FDAB biogenic O=C(NCc1ccccn1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13550817 YZSNJAUFTYTFLN-NSHDSACASA-N 371.832 1.934 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)CCc1nc(-c2ccncc2)no1 22871257 BQPVIUFMEZQKIX-UHFFFAOYSA-N 359.430 1.827 0 40 FDAB COCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 14048978 JUWDIMISUWSVNM-UHFFFAOYSA-N 359.407 1.703 0 40 FDAB O=C(c1ccccn1)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306135150 OJISOFDIBQPMIS-NRFANRHFSA-N 373.416 1.888 0 40 FDAB CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5858545 YMLFCXGVZSZEJN-UHFFFAOYSA-N 353.444 1.326 0 40 FDAB CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 4943970 VGTNEKDGKFGPDE-HNNXBMFYSA-N 362.426 1.898 0 40 FDAB O=C(CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)NC1CC1 6989823 MXYJTTODSYDQSC-UHFFFAOYSA-N 362.389 1.394 0 40 FDAB C[C@@H](Sc1nc2cc(S(N)(=O)=O)ccc2n1C)C(=O)N1CCCC1 8720006 OILWHLGMSWZREV-SNVBAGLBSA-N 368.484 1.324 0 40 FDAB Cc1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 5987050 QLDGDEWBQMDOEM-UHFFFAOYSA-N 360.366 1.926 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 67263178 KYHWSLZCLJIHOK-UHFFFAOYSA-N 361.377 1.629 0 40 FDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67626775 QAHKNRMVVGAJLP-KFWWJZLASA-N 361.508 1.305 0 40 FDAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccncc1 9306045 YXCUGXDMMBJWMS-UHFFFAOYSA-N 367.409 1.646 0 40 FDAB 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CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCC3)NC(=O)N[C@H]1C 6085672 UTYKHKQFYZCMQJ-VIFPVBQESA-N 364.423 1.912 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 5068074 OVBANGPEBYGADX-WPRPVWTQSA-N 371.136 1.377 0 40 FDAB C/C=C/c1ccc(OCC(=O)OCC(=O)NC(=O)NCCC)c(OC)c1 6176514 IRZYZSKQKOCZBD-GQCTYLIASA-N 364.398 1.886 0 40 FDAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cn1 6350553 CWEIGWDAWAFAHY-UHFFFAOYSA-N 354.366 1.473 0 40 FDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)CC(=O)Nc1ccc(F)cc1 14092908 XBOCJCOCMXXBOM-MCIONIFRSA-N 351.422 1.720 0 40 FDAB CC(=O)N1CCC(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)CC1 65530451 OKECPRIYRKQZJS-UHFFFAOYSA-N 365.484 1.796 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 4515470 NWQLGJJRKASSGC-ADLMAVQZSA-N 359.382 1.855 0 40 FDAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc(OCC(N)=O)cc1 4694157 ICCRCCASCBWKIN-WFASDCNBSA-N 362.430 1.510 0 40 FDAB Cc1nnc(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)s1 6600019 GOTGVHNYDNSPAD-LLVKDONJSA-N 363.530 1.610 0 40 FDAB O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@]1(O)Cc1ccc2c(c1)OCO2 14646945 OTWLSQPCSOEBAY-XOBRGWDASA-N 370.357 1.833 0 40 FDAB biogenic,in-vitro C[C@@H]1CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 8754687 XBOCJCOCMXXBOM-MGPQQGTHSA-N 351.422 1.720 0 40 FDAB O=C(Nc1ccsc1C(=O)N1CCC2(CC1)OCCO2)c1cnccn1 67335749 DITVJSYNNIIHJF-UHFFFAOYSA-N 374.422 1.770 0 40 FDAB C[C@@]1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 7304254 IOGULLZAZCNIOD-LLVKDONJSA-N 357.375 1.561 0 40 FDAB NC(=O)c1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 7467632 VLHPGHNWRQMZGO-UHFFFAOYSA-N 363.320 1.197 0 40 FDAB C[C@@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 9253138 NCVLTBRAFCINQS-ZDUSSCGKSA-N 357.435 1.645 0 40 FDAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)ccc2N1 72306296 MYFOIBFHLDBQKY-UHFFFAOYSA-N 362.363 1.776 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 84686770 CNGZWVPUZVDRLN-DOMZBBRYSA-N 364.467 1.532 0 40 FDAB COCCOc1ccc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cn1 95457659 IOIZQGMIAYQLHI-SUMWQHHRSA-N 351.403 1.566 0 40 FDAB CC(=O)Nc1cccc(OCCNC(=O)[C@H]2CCc3nnc(C)n3C2)c1 95432749 WEVAHCHWJLVBPS-AWEZNQCLSA-N 357.414 1.303 0 40 FDAB CCOC(=O)c1sc(NC(=O)COc2c[nH]c(C)cc2=O)nc1C 95479758 AFLFVXMLJLHGQZ-UHFFFAOYSA-N 351.384 1.642 0 40 FDAB O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccccc1Br 95967034 TYIXQUHPWNALBV-VIFPVBQESA-N 368.274 1.305 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 9950424 JAXQBZIQQQPBJH-INIZCTEOSA-N 370.361 1.368 0 40 FDAB CCN1C(=O)[C@@H]2CN(Cc3ccc(Br)cc3)CCN2C1=O 75106004 GHPBVVDJXPJBPH-ZDUSSCGKSA-N 352.232 1.917 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@@H]1C2 306140574 UXQAOLXCSJYIJS-RYUDHWBXSA-N 358.471 1.321 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408602229 IKEOWGPSPGHBQK-KGLIPLIRSA-N 372.487 1.539 0 40 FDAB Cc1ccccc1C(=O)N[C@H](C(=O)NCCNC(=O)c1ccco1)C(C)C 39554936 TWYZJITZCHMQJL-KRWDZBQOSA-N 371.437 1.889 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306125204 CJDYSIMLMNOVBM-UONOGXRCSA-N 355.417 1.614 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1cnn(C)c1C(=O)O)c1ccc(F)cc1 530137915 RXQIQEOQQHDINV-GFCCVEGCSA-N 357.363 1.387 0 40 FDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)[C@H]1CO 72321457 KHPAXNWYQRPOBA-YLJYHZDGSA-N 370.405 1.595 0 40 FDAB biogenic,in-vitro O=C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 36576391 ZGBIYBLJBZDAES-GOSISDBHSA-N 351.406 1.614 0 40 FDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 72394341 VJPGBMJJZPTGEW-QGZVFWFLSA-N 358.438 1.825 0 40 FDAB COc1ccccc1OCCNC(=O)c1ccccc1NS(C)(=O)=O 31357783 QLQXMQLAZRSRBG-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)s1 224326391 ATTHCEMKOBKVQC-UHFFFAOYSA-N 367.412 1.034 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 45520726 AGPXJOZTCWSHDZ-UHFFFAOYSA-N 368.436 1.849 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)s1 224409125 DIUJTNLWVBZDCB-JTQLQIEISA-N 354.457 1.796 0 40 FDAB CCS(=O)(=O)N1Cc2cncn2C[C@H](COCc2ccccn2)C1 96209346 HRTMGKZKNCZMGJ-AWEZNQCLSA-N 350.444 1.276 0 40 FDAB O=C(c1ccsc1)N1CCc2nnc(COc3cncnc3)n2CC1 96084590 HFYOXFPVVRCYPU-UHFFFAOYSA-N 356.411 1.407 0 40 FDAB CC(=O)N1CCO[C@@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1 96157148 KNFDPFGTDDWKPW-INIZCTEOSA-N 356.419 1.228 0 40 FDAB C[C@H](c1ccsc1)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 333369460 ISESWBXYKHYDRC-OCCSQVGLSA-N 364.471 1.284 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1 96063404 HUELYKUMOCYQTC-MJGOQNOKSA-N 356.426 1.677 0 40 FDAB O=C(c1cccnc1)N1CCOC2(CCN(Cc3cccnc3)CC2)C1 96158943 ZTGJKTJCASLEDS-UHFFFAOYSA-N 352.438 1.984 0 40 FDAB CC(=O)NCc1ccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)s1 579999055 YASALEPOPFRIRR-HNNXBMFYSA-N 363.483 1.761 0 40 FDAB O=C(NCCc1cccnc1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96266030 DGCIBIMGAKNHRB-UHFFFAOYSA-N 363.377 1.593 0 40 FDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O)cc1 257344869 ZYZMYRQLJMBTQH-IAGOWNOFSA-N 359.353 1.717 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)CCO2)n1 257243286 IGERHJCURNSBRJ-MRXNPFEDSA-N 356.426 1.922 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C)n1 257199957 ABKZRAWMUVAKJL-GUDVDZBRSA-N 366.465 1.498 0 40 FDAB CN(C)C(=O)CN1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 257208105 BKUKWSCHVUIKST-GFCCVEGCSA-N 360.483 1.876 0 40 FDAB COc1c2c(c(CNC(=O)C3CCCC3)c3c1C(=O)N(C)CC3)OCO2 604404841 SVQPLBKAXVIHGM-UHFFFAOYSA-N 360.410 1.858 0 40 FDAB biogenic Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(C(F)F)nc2)cn1 594350217 ZZRMRRRGXADEMG-OZAJXLCCSA-N 354.382 1.699 0 40 FDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H](N2CCCC2)C1 636090833 CJCQUMNXBONVPQ-QKLQHJQFSA-N 368.481 1.958 0 40 FDAB Cc1nc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)cn1C 643669771 LIFHFMAULFLEAB-ZDUSSCGKSA-N 350.448 1.110 0 40 FDAB Cc1nc2c(cc1C(=O)N[C@@H](Cc1ccncc1)C(=O)O)c(C)nn2C 655600486 HXPCVHSHOBZVCZ-HNNXBMFYSA-N 353.382 1.406 0 40 FDAB O=C(NCc1cccnc1)C1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1 663040684 RSASKJMFZPUFFF-UHFFFAOYSA-N 357.410 1.357 0 40 FDAB CO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1(C)C 674662230 IDTYOFUMXKZSMF-CVEARBPZSA-N 366.483 1.942 0 40 FDAB O=C(O)c1nccc2c(S(=O)(=O)N3[C@H]4CC[C@H]3CC(O)C4)cccc12 575177845 ACMXFVJOXCQUCT-QWRGUYRKSA-N 362.407 1.609 0 40 FDAB CCOc1nc(C)ccc1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 571613083 LONHPQIDGYNLLG-UHFFFAOYSA-N 367.471 1.475 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)n1 575405086 RXHOYBRNJQFNHI-HNNXBMFYSA-N 374.466 1.704 0 40 FDAB Cc1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1 575423223 ZKHJIHAJENVFHN-HOTGVXAUSA-N 357.497 1.171 0 40 FDAB CO[C@]1(CC(=O)NCc2ccc(F)cc2F)COCCN(C(C)=O)C1 585280396 HQRMCQISZYCHRV-KRWDZBQOSA-N 356.369 1.235 0 40 FDAB O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)c1cnccn1 585112471 RCPJBFMBRJGTMT-CQSZACIVSA-N 352.398 1.643 0 40 FDAB Cc1cc(=O)n(C)cc1NC(=O)CNC(=O)NCc1ccc(Cl)cc1 72309977 VODIRCWNDDQCMM-UHFFFAOYSA-N 362.817 1.785 0 40 FDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 5272817 COOUXSGOHRLGPL-UHFFFAOYSA-N 373.478 1.568 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCCn3ccnc3)ccc21 13580473 YYAGJUAIFAMPLX-UHFFFAOYSA-N 362.455 1.415 0 40 FDAB C[C@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCCC1=O 19078476 WGFKMBXDERKSHB-CABCVRRESA-N 371.485 1.181 0 40 FDAB Cc1c(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cnn1C 19553157 LXTMZPFTILNWFI-CQSZACIVSA-N 364.409 1.504 0 40 FDAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1 19710635 DVOTZDNSXMMBTK-KRWDZBQOSA-N 369.469 1.938 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 230126351 AHYRDRQSEGNFOI-CHWSQXEVSA-N 366.439 1.687 0 40 FDAB NCc1cccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1 643585984 KQAJTPCFRTXPJT-QKNQBKEWSA-N 352.434 1.905 0 40 FDAB CCOC(=O)CCC(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390829981 HXDULTQBJBBBJZ-CYBMUJFWSA-N 359.469 1.780 0 40 FDAB O=C([C@@H]1OCCc2ccccc21)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888856897 VWIRFBBCPLOWBA-JFIYKMOQSA-N 350.422 1.685 0 40 FDAB Cc1cccc(-n2ccn(Cc3cc(=O)n4ccccc4n3)c(=O)c2=O)c1C 1888909690 IWMMDZCSKXYLPN-UHFFFAOYSA-N 374.400 1.672 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCCc2sccc21 1889128432 KKLDNBYUVJSBHJ-INIZCTEOSA-N 350.465 1.766 0 40 FDAB O=c1c2ccccc2n(Cc2nc(-c3cnccn3)no2)c(=O)n1C1CC1 1889237635 KIJOJDIPGCOAHR-UHFFFAOYSA-N 362.349 1.386 0 40 FDAB C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)NCc1ccccc1 32691580 NQUMEORVVFEIPR-LBPRGKRZSA-N 360.439 1.989 0 40 FDAB Cc1cc(C)n(CC(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 2037839751 CEOXAJSSLMYTFS-FQEVSTJZSA-N 368.437 1.534 0 40 FDAB Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037978465 XQJJTYGGRJEJEW-HXUWFJFHSA-N 368.437 1.616 0 40 FDAB CS(=O)(=O)CCC(=O)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056224813 XBSQSCZBVLKLKO-CALCHBBNSA-N 365.499 1.187 0 40 FDAB Cc1cnc(C)c(OC2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 2086949982 BWBZESSHKIDCLG-GASCZTMLSA-N 362.474 1.572 0 40 FDAB CC(C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569852 SHXPZLLSKOCQQV-UHFFFAOYSA-N 371.478 1.440 0 40 FDAB CCCCOc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 11856352 HEMDTUMIBTWYRK-UHFFFAOYSA-N 351.428 1.401 0 40 FDAB O=C1CC[C@H](C(=O)Nc2nc(CC(=O)N3CCc4ccccc43)cs2)N1 12422873 JKVRPNPQAGLAQB-CYBMUJFWSA-N 370.434 1.492 0 40 FDAB CC(C)[C@H](N)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ncccc31)C2 248167104 OYWHLRVZZBUXQQ-MPGHIAIKSA-N 356.470 1.904 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19238289 YIWMBKNPKDGZFP-LSDHHAIUSA-N 354.458 1.594 0 40 FDAB Cc1cc(NNC(=S)S)nc(NS(=O)(=O)c2ccccc2)n1 17181077 XVDUVLHQUFFNJQ-UHFFFAOYSA-N 355.470 1.717 0 40 FDAB Cc1cnc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cn1 40134774 AJDQZPHAEBDKNZ-UHFFFAOYSA-N 353.426 1.735 0 40 FDAB Cc1csc(=O)n1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40110938 LFYDBKBHAKSYME-QGZVFWFLSA-N 374.422 1.302 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)N1CCCCCC1 40287894 FFKFAFQPFOCBAO-UHFFFAOYSA-N 373.388 1.575 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCC(=O)c1ccc(Cl)cc1 100641357 NBHKZBUEPMJOOR-SYWGBEHUSA-N 373.792 1.873 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 101018468 XHCAJMOHXPDZHW-GXSJLCMTSA-N 350.718 1.114 0 40 FDAB CNc1snc(C)c1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 21122659 KGRZSXBRJWEFAQ-UHFFFAOYSA-N 365.459 1.478 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)cnn1C 2732281 ZUXAXQYOJASGIO-HNNXBMFYSA-N 368.503 1.388 0 40 FDAB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(O)ccc3OC(=O)[C@@H]12 4041889 NWVNEIDOXFMQFU-MRTMQBJTSA-N 351.361 1.368 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@]12C(C(=O)OC(C)C)=C(N)Oc1ccccc12 4517120 VAOPQUPRJYBKRV-IBGZPJMESA-N 372.377 1.016 0 40 FDAB COC(=O)[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](N)CC(=O)O 6002229 QSLZIGAHAQCYFC-CIQHSECKSA-N 352.431 1.053 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCOc2ccc(C)cc2)c(=O)[nH]c1=O 32988977 PFUKBFNVFXYNFD-UHFFFAOYSA-N 374.441 1.659 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc12 102733274 YLNHJVYKPLZESQ-OKILXGFUSA-N 369.425 1.781 0 40 FDAB COC(=O)c1cc(OC)ccc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103770705 BJYCDPQIIBDFMP-CHWSQXEVSA-N 374.393 1.596 0 40 FDAB Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1 812583 YHILZMQMDKTBFN-UHFFFAOYSA-N 351.315 1.654 0 40 FDAB aggregator CN(C)c1cc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)ccn1 42480934 KCHYSSRSVDIWSU-MRXNPFEDSA-N 359.474 1.692 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3)CC2)c1 23694095 JNQLGARYQWZPAS-UHFFFAOYSA-N 352.438 1.807 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 106670101 AHHMUQCSAVJBGZ-AHCXZYCDSA-N 369.465 1.945 0 40 FDAB CC(=O)c1ccc(N2CCN(Cn3nnc4ccccc4c3=O)CC2)cc1 57395260 QTWIHPLDCLNEQV-UHFFFAOYSA-N 363.421 1.774 0 40 FDAB COc1cccc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 108534296 HSJLERPRWMZYFJ-OALUTQOASA-N 354.454 1.961 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N(CCOC)CC(F)(F)F)cc1 58197279 FXIOSPKHEBQADT-UHFFFAOYSA-N 354.350 1.246 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccn2)CC1 36059282 NDDJBJJVDYXICY-UHFFFAOYSA-N 367.452 1.441 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc1 12526156 RXWGSJAEBQVWFN-UHFFFAOYSA-N 370.452 1.752 0 40 FDAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(Br)c1 28196922 KUPQBVXFKVOBOC-UHFFFAOYSA-N 372.244 1.996 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1)c1cccs1 36394005 QTHFAZKQHIXEEP-ZDUSSCGKSA-N 358.423 1.810 0 40 FDAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12882367 DBZVRSIREXOPDN-IAQYHMDHSA-N 371.231 1.909 0 40 FDAB CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)O 8429564 HUBHMGRHOJZQQH-WFASDCNBSA-N 368.455 1.700 0 40 FDAB CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(=O)N(C)C)c1C 6047192 YTDJYXOQLXMJBD-UHFFFAOYSA-N 362.411 1.977 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 5196422 NANNKWGOWYXSJM-UHFFFAOYSA-N 363.395 1.736 0 40 FDAB CS(=O)(=O)NCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 49975558 KNPDFEGCABGATF-VUXUOOGWSA-N 370.474 1.949 0 40 FDAB C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6291304 GAFRBFHXCYBSAY-NWDGAFQWSA-N 352.412 1.561 0 40 FDAB CCN(Cn1nc(-c2ccco2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 14161859 BNYRVNWPWCPWEY-LLVKDONJSA-N 356.473 1.678 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCN(c4cnccn4)CC3)nn12 14157759 GXQDEHCHZXTNGP-UHFFFAOYSA-N 350.308 1.260 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1NC(C)=O 6590682 RQHVKZLAQZKYJA-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB O=C(CSc1ncccn1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 6986837 JFGITDLSUKJDSZ-ZDUSSCGKSA-N 355.485 1.527 0 40 FDAB CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)CC2 96000648 FAZFMRNMYOICQD-LBPRGKRZSA-N 352.464 1.472 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 80294306 NNDKSHQTHKFUPK-XIRDDKMYSA-N 366.483 1.832 0 40 FDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 9060870 KKTVAEKVCWOBKM-VXGBXAGGSA-N 370.452 1.137 0 40 FDAB Cc1ccc(CCC(=O)NCC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 81706768 HCVITPBFDMISEF-RXVVDRJESA-N 352.434 1.818 0 40 FDAB COC(=O)C1CCN(C(=O)CCNc2nc(Cl)nc3[nH]cnc23)CC1 9485841 ZSEVJDBMUQKCIA-UHFFFAOYSA-N 366.809 1.220 0 40 FDAB Cn1nccc1-c1ccc2nnc(C3CCN(C(=O)C4CC4)CC3)n2n1 306130145 IXLZEOOAKVBALR-UHFFFAOYSA-N 351.414 1.641 0 40 FDAB C[C@@H](CN(C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O 95991931 VDTKQEIHOPFJLM-KBPBESRZSA-N 374.437 1.866 0 40 FDAB Cc1csc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 31813673 AFUNVYFUZZXESR-LBPRGKRZSA-N 358.423 1.559 0 40 FDAB CCc1nnc(NC(=O)CSc2nnc3nc(O)cc(C)n23)s1 35510871 TZEADBOBVXSHDB-UHFFFAOYSA-N 351.417 1.283 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1 30751337 PUSCBDYLCNWBGV-UHFFFAOYSA-N 365.430 1.755 0 40 FDAB CN1CCN(C(=O)c2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355063 SHSHZUIEAOAXLN-MRXNPFEDSA-N 353.470 1.789 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 71334782 JPARRBBIBLFFGL-KUHUBIRLSA-N 357.410 1.657 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(C[C@H](NC(=O)C2CC2)C(C)C)n1 72324933 QZDOJHDEWVXCQL-INIZCTEOSA-N 357.458 1.811 0 40 FDAB CN1CCN(Cc2ccc(C(=O)O)cc2I)CC1 39951851 JIPVYCGKXAKMJS-UHFFFAOYSA-N 360.195 1.737 0 40 FDAB O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(CNc2ccncn2)c1 567964896 HQXSESRLXZOJRW-UHFFFAOYSA-N 372.392 2.521 0 40 FDAB COc1ncccc1C(=O)N1CCN(CCNC(=O)c2cccs2)CC1 44226826 REYVMSHOFYPTEN-UHFFFAOYSA-N 374.466 1.340 0 40 FDAB COc1cc(OC)cc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 224215867 JXPJSWGRKDCMBK-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 40089761 SVTRLJSRKNNZOW-UHFFFAOYSA-N 360.483 1.604 0 40 FDAB CN1CCN(CCNC(=O)c2cccc(I)c2)CC1 42315551 PRUOFNOWFKFCKB-UHFFFAOYSA-N 373.238 1.268 0 40 FDAB CNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc1 223389059 SVVWDAHHCPBYSK-UHFFFAOYSA-N 354.819 1.310 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1ccc(F)cc1 96240132 ANZRSROJFBNYFD-FQEVSTJZSA-N 371.412 1.855 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1cccnc1)C2 96230518 BKBHIHPMQKYPPS-HXUWFJFHSA-N 365.437 1.316 0 40 FDAB O=C(c1cnccn1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159679 VXZGBROPEYLWSV-IBGZPJMESA-N 354.385 1.881 0 40 FDAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(N2C(=O)CNC2=O)CC1 244933108 CBTVGGSVRQCYGC-UHFFFAOYSA-N 367.409 1.088 0 40 FDAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]21 247540750 SBVINXGAWNOJTF-LALPHHSUSA-N 362.854 1.475 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)C[C@H]1CCS(=O)(=O)C1 248328217 BERCSXXJWXQSIK-UMVBOHGHSA-N 374.466 1.451 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c(O)n1 257302951 SFCQORLAZQJVFS-MRXNPFEDSA-N 355.385 1.404 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cnc(-c3ccccc3C(=O)O)cn2)C1 257318015 VMDANCQDVOHMOB-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257203526 AQLMGPBXFSTORG-KOHRHEQBSA-N 357.458 1.305 0 40 FDAB Cc1cccc(C2(C(=O)NCCN3CCS(=O)(=O)CC3)CCC2)c1 642353842 NTZSNEOSSOAIPR-UHFFFAOYSA-N 350.484 1.263 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)NCc2nccc(C(F)(F)F)n2)N1C1CC1 663232023 SOECBTPXEQBYNN-NXEZZACHSA-N 358.320 1.192 0 40 FDAB Cc1ccc2c(c1)N(CC(=O)N[C@@H](CO)Cc1ccccc1)C(=O)CO2 36569544 PHWZTPFBAGRZIB-MRXNPFEDSA-N 354.406 1.440 0 40 FDAB biogenic O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCCCn1ccnc1 36601989 PJHOMOAAALTFJD-OAHLLOKOSA-N 355.398 1.570 0 40 FDAB biogenic CCn1cc(O[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]2O)cn1 625619760 OKIXVIXGTDIAFR-RTBURBONSA-N 353.426 1.713 0 40 FDAB COc1cc(OC)c2c(c1)N(C(=O)Cn1nc3n(c1=O)CCCC3)CCC2 628701824 FMLJSDNSNADOJB-UHFFFAOYSA-N 372.425 1.378 0 40 FDAB COCCn1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)n1 299548078 CMABBYNYWKTYDQ-UHFFFAOYSA-N 365.411 1.517 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 575404467 MVBAAUORIYXGCR-MRVWCRGKSA-N 352.385 1.680 0 40 FDAB Cc1cc(-c2cncc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n[nH]1 585180182 SVJGKQWKRANOLY-GFCCVEGCSA-N 350.448 1.161 0 40 FDAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)c1 585262412 SYTQEEGHTRPBNF-BDXSIMOUSA-N 361.369 1.506 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288074 OTWQYHSHJUYPSK-ILZDJORESA-N 355.438 1.715 0 40 FDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1cccnc1 585097780 PQWVVTGGCMNGQG-CYBMUJFWSA-N 350.382 1.864 0 40 FDAB COCCN1CC2(CCN(C(=O)c3conc3C)CC2)C[C@@H]1COC 585103775 PFRXAZJHJZYCND-OAHLLOKOSA-N 351.447 1.573 0 40 FDAB O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1C[C@@H]2CC[C@H](C1)O2 674300424 YDFIJIXVSUOCEN-KSZLIROESA-N 357.454 1.793 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 685941855 IKTZLNUXXWCHTL-AWEZNQCLSA-N 355.438 1.291 0 40 FDAB O=C(CCCc1cc(F)ccc1F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941715 HDCLVVMCZLENAV-JKSUJKDBSA-N 351.353 1.973 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@H]4CCCN4C[C@@H]3CCO)CC2)cc1 1615193263 UPJSHEMBPBMYMQ-RTWAWAEBSA-N 373.541 1.857 0 40 FDAB CC(C)n1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)COC(C)(C)C3 5274484 ZSDMWDXRNJVMFY-UHFFFAOYSA-N 351.428 1.142 0 40 FDAB COc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(OC)n1 11765047 FPMXXRCLFYBPKP-UHFFFAOYSA-N 364.352 1.734 0 40 FDAB CC(C)N1C[C@@H](C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)CC1=O 12220196 CUPFXNBVOAFCOM-JTQLQIEISA-N 359.455 1.838 0 40 FDAB CS(=O)(=O)Nc1cc(NC(=O)CNC(=O)c2ccccc2)ccc1F 12982046 BTRSKSHYJDAAGG-UHFFFAOYSA-N 365.386 1.566 0 40 FDAB Cc1nn(C)cc1NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1 19749322 QMKUCHQIZBYTEY-UHFFFAOYSA-N 371.441 1.591 0 40 FDAB O=C(c1ccc(O)nn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585998 MNMNRPKGHRYNKC-CDHAZOANSA-N 359.357 1.081 0 40 FDAB Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2c1[C@@H](C)CC2=O 9691637 JDYVRBFJAZCRCI-RYUDHWBXSA-N 351.424 1.367 0 40 FDAB CCc1cc(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)nc(SC)n1 1888854559 AKAGWNYYTDGBPJ-HNNXBMFYSA-N 363.531 1.892 0 40 FDAB Cc1nnc2ccc(N3CCC(N(C)c4ncc(Cl)cn4)CC3)nn12 1889138759 BLVKIIJMDYFUKP-UHFFFAOYSA-N 358.837 1.981 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 1889138947 HFQWPJFDNNCNNA-UHFFFAOYSA-N 367.461 1.232 0 40 FDAB COc1ccc2sc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc2c1 1889139413 LYBHFUSWGMDDHD-AWEZNQCLSA-N 363.439 1.369 0 40 FDAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Cn2ncccc2=O)C1 1848630775 VVJHCVKPGODPFQ-UHFFFAOYSA-N 365.437 1.974 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cc1c(C)noc1C)OCO2 24267677 DXPGEHJCEWRLRR-UHFFFAOYSA-N 374.349 1.947 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)s1 32469306 IHTVTCMIVMPVSE-GFCCVEGCSA-N 358.485 1.574 0 40 FDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 2710812 WQHZHMXZSVWPMW-NXEZZACHSA-N 350.396 1.275 0 40 FDAB CCCN1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2C(N)=O)C1 12229194 SNSQQNNNAGLLKO-UHFFFAOYSA-N 361.471 1.909 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)c4cccc5ccccc45)CC3)ncnc21 13532594 IAFNJBOHGPCGRI-UHFFFAOYSA-N 373.420 1.874 0 40 FDAB CN(C)c1cccc2c(S(=O)(=O)N3C[C@H](O)C[C@@H]3C(=O)O)cccc12 2545081 KPMHEEJRFWEAKY-IAQYHMDHSA-N 364.423 1.114 0 40 FDAB COC(=O)CN(Cc1ccccc1)c1nc2c(C)cccn2c(=O)c1C=O 40158774 PNANXFIDIUZEMD-UHFFFAOYSA-N 365.389 1.995 0 40 FDAB O=C1CN(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cn2)CCN1 31719012 HUQCEYJBKGWHAU-UHFFFAOYSA-N 362.792 1.992 0 40 FDAB CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C 6158978 CEOUYEBWMNZTMV-GGTXOSAVSA-N 366.498 1.797 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 7604488 MEMCUZUNIZNNNO-CQSZACIVSA-N 354.472 1.934 0 40 FDAB CC(C)(CNC(=O)CCCn1c(=O)oc2ccccc21)N1CCOCC1 32971757 NOVXXCHPAJZWST-UHFFFAOYSA-N 361.442 1.602 0 40 FDAB CN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 10111655 BHJNYYXCHLDXOK-UHFFFAOYSA-N 359.879 1.416 0 40 FDAB Cn1c(=O)c2c(ncn2[C@@H](C(=O)c2ccccc2)c2ccccc2)n(C)c1=O 8129299 WCVNVMZVVXDLGT-MRXNPFEDSA-N 374.400 1.906 0 40 FDAB CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCC(N)=O 8253730 QUFMGTNUIDORRE-SECBINFHSA-N 361.236 1.182 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCCC1 10809577 DHNJUYTUIRUXGK-UHFFFAOYSA-N 368.455 1.917 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCCCn2ccnc2)CC1=O 9262705 JTVSIVOTDYJMJE-HNNXBMFYSA-N 356.426 1.760 0 40 FDAB Cc1csc(=O)n1CCC(=O)N1CCC(CCN2CCOCC2)CC1 61648227 CDLVYMQMAKOUIU-UHFFFAOYSA-N 367.515 1.569 0 40 FDAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(CC(=O)NC2CC2)CC1 22931019 BBDQWHVQGNFPMT-GFCCVEGCSA-N 366.412 1.188 0 40 FDAB CN(C)[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccsc1 42476019 ZIFJYIFYSZOBQB-CHWSQXEVSA-N 362.542 1.387 0 40 FDAB C[S@@](=O)c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1 54978720 OIUSISWKZPVQAU-VWLOTQADSA-N 354.435 1.994 0 40 FDAB CCCCn1c(CN2CCO[C@@H](C)C2)nc2cc(S(N)(=O)=O)ccc21 25106064 TUPMGOCYYZASGR-ZDUSSCGKSA-N 366.487 1.705 0 40 FDAB CCOCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20482734 YXGHXMCKHCNSCN-UHFFFAOYSA-N 354.472 1.769 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188988 OIRBGPPIRPZYCO-QLFBSQMISA-N 356.419 1.532 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCc2cc(OC(F)F)ccc21 57361049 QMGNMJLVRNPTNB-CQSZACIVSA-N 374.409 1.991 0 40 FDAB Cc1nn(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c(=S)n1C 26615310 GOOUBJHDGVGNGV-UHFFFAOYSA-N 367.500 1.530 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3cccc(F)c32)c1 25060518 HFDJNFTWFBSKDA-UHFFFAOYSA-N 370.427 1.615 0 40 FDAB CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CC(=O)OC 58195368 XLLDLZQGMQWDHY-JTQLQIEISA-N 350.396 1.613 0 40 FDAB CCCN(CCC)C(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 58289139 MSOFAMDHMBQIBZ-UHFFFAOYSA-N 366.550 1.655 0 40 FDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCOCC1)cn2CCC(=O)O 36359384 WISUTMVDSTWGNS-QGZVFWFLSA-N 362.382 1.583 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)CC1 3419335 WDDUWWFDUYGZRU-UHFFFAOYSA-N 356.753 1.643 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 12991401 SMNOFIHTVBFCOO-UHFFFAOYSA-N 361.419 1.932 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3644885 ZRZBCMXMLPBIOV-UHFFFAOYSA-N 360.391 1.787 0 40 FDAB O=C1OCC[C@@H]1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14187132 FSFZQMXGDNHRIW-KRWDZBQOSA-N 360.435 1.462 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 4521802 XOFYZVNMUHMLCC-VPELLDEPSA-N 358.434 1.766 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ncccn3n2)CC1 8753486 SIJXBUSIBMLBNG-NSHDSACASA-N 363.443 1.407 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1 5887286 FVZCJMMYXLPJPU-UHFFFAOYSA-N 354.428 1.786 0 40 FDAB CCCCN(C)C(=O)Cn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O 67255970 YXIAIBZJYWCVLG-UHFFFAOYSA-N 359.426 1.656 0 40 FDAB O=C(NCc1ccncc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905569 JJCSKAXFNIOCSI-NEYJZJCJSA-N 361.401 1.684 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=S)NC3CC3)CC2)c1 7638605 CITPFDJGKBNVKV-UHFFFAOYSA-N 353.513 1.647 0 40 FDAB Cc1cccc(OCCNC(=O)COc2ccc(-n3cnnn3)cc2)c1 7736041 WKLCTIMCYAAHJA-UHFFFAOYSA-N 353.382 1.545 0 40 FDAB Cc1ccc(-n2nc(C)c(C(=O)NCC(=O)NCc3ccco3)n2)c(C)c1 8943050 LKHFEEGBHMSDAT-UHFFFAOYSA-N 367.409 1.832 0 40 FDAB Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 16695308 XAXOAIJJDKODJH-MRXNPFEDSA-N 356.426 1.868 0 40 FDAB CC(C)OC[C@@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 78564820 VXKQKYQEVOQZDU-SFHVURJKSA-N 352.450 1.940 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCOC[C@H]3CC(=O)c3ccco3)nc2n1 84109837 QWJJUOCWLDZIEQ-CYBMUJFWSA-N 369.381 1.448 0 40 FDAB CCOC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 79099603 PTXVXPIXXLZWQZ-CQSZACIVSA-N 363.458 1.991 0 40 FDAB COc1cc(OC)c(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1OC 95456333 CYYUYZBCCNNQQR-ZDUSSCGKSA-N 361.394 1.751 0 40 FDAB CCS(=O)(=O)CCN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 89272376 OCTDFHLBJKZUJJ-INIZCTEOSA-N 354.428 1.205 0 40 FDAB CCC[C@@H](CC(=O)OC)NC(=O)CN1CCN(Cc2ccccc2)CC1 89365119 TXBCRPVHSZEUFM-SFHVURJKSA-N 361.486 1.652 0 40 FDAB C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1ccccc1F 9986283 HHIUGOBCYDWKGB-LLVKDONJSA-N 372.418 1.368 0 40 FDAB Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)c4ccnnc4)[C@H]3CC2)[nH]n1 306144833 ZPUMKVWJYWQAHB-BBRMVZONSA-N 354.414 1.275 0 40 FDAB CN(C)C(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 306130660 JMJONJKVMCCVBE-VXGBXAGGSA-N 372.404 1.455 0 40 FDAB NC(=O)CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598345 KXAXQSJQDFULJZ-UHFFFAOYSA-N 363.465 1.688 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cc(C)nn1C 36621350 PNLXVVCDJNWELH-JTQLQIEISA-N 356.308 1.714 0 40 FDAB O=C(N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@H]21)c1nc(N2CCCC2)ncc1Cl 1551450450 YWLFXVKWYLTKOR-SBFPOUOMSA-N 364.833 1.959 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 35596736 PWCBYBBWCKVHPN-UHFFFAOYSA-N 366.468 1.604 0 40 FDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)nn12 31820749 LGDVMDKGNUSEJC-OAHLLOKOSA-N 351.414 1.361 0 40 FDAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC(O)CC1 32759380 CCBBDNKZAAIVRY-SNVBAGLBSA-N 371.359 1.836 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1Cl 224240905 QTPJGGJHCZITJU-UHFFFAOYSA-N 356.835 1.683 0 40 FDAB O=C(Cc1ccccc1Br)N[C@H]1CCc2n[nH]c(=O)cc2C1 225785813 VRJPTLUQADOTLO-LBPRGKRZSA-N 362.227 1.749 0 40 FDAB COc1ccccc1COC[C@H](O)Cn1c(CC(N)=O)nc2ccccc21 43647178 LGPFBBOOPHFNON-OAHLLOKOSA-N 369.421 1.650 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)Cc1ccccc1F 224600481 DWMMAYPGJBTBHA-UHFFFAOYSA-N 371.478 1.189 0 40 FDAB Cc1ncn(CC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c(=O)c1C 225663441 UFZRHJDTDRNGIT-UHFFFAOYSA-N 364.409 1.202 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181368 FTDNUKCOFGJICK-WMZOPIPTSA-N 373.453 1.815 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(COCc3cnc(N(C)C)nc32)C1 96244056 AJGCXXULJPEAFH-MRXNPFEDSA-N 354.476 1.146 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2COCc3c(-c4ccnn4C)nnn3C2)o1 96045667 BYLJLDGXUFAYDH-GFCCVEGCSA-N 356.386 1.156 0 40 FDAB CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 583623633 BHEXVQKLTQWHAF-HOTGVXAUSA-N 365.478 1.943 0 40 FDAB Cc1nnc(N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)s1 248021621 MDJHTMPDIXYPQU-CYBMUJFWSA-N 352.460 1.081 0 40 FDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCOC[C@@H](C2CCC2)C1 584119538 RKBNEPMYWPYMEY-INIZCTEOSA-N 358.504 1.659 0 40 FDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ccn(C)n1 257309019 TZFOLMMYGYWTKV-OPNNQBFTSA-N 362.474 1.471 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@](C)(C(=O)N(C)C)C3)cn2)n1 257278589 OCVRAJIDSKOCMF-IBGZPJMESA-N 371.441 1.203 0 40 FDAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257237790 HIEZODJNDRXAQD-SNVBAGLBSA-N 354.457 1.946 0 40 FDAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)CN3CCCCCC3)CC2)ncn1 257206955 BFQRMBRYWANQGX-INIZCTEOSA-N 373.501 1.623 0 40 FDAB CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(C)=O 257327200 XAKLERAEUIEIAG-BJLQDIEVSA-N 357.454 1.518 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)COc2ccccc2C)C1 260504003 BKDKYCRJGDBZRQ-HZPDHXFCSA-N 368.499 1.940 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCc2cc(C)nn2C)[C@H]1c1nccn1C 614580591 ZFFJJPFPDZGVPM-HOCLYGCPSA-N 358.446 1.078 0 40 FDAB CC[C@@H]1OC2(CCN(C(=O)c3cccc(C(=O)N(C)CC)c3)CC2)NC1=O 1615590691 MAWSSIZSPKSNHA-INIZCTEOSA-N 373.453 1.636 0 40 FDAB CCc1cc(C(=O)N2CC[C@H](N=c3ccc4nc(C)cn4[nH]3)C2)n(C)n1 635830547 RIBBPKXSSRPRGC-AWEZNQCLSA-N 353.430 1.082 0 40 FDAB CCOc1c(Cl)cccc1CC(=O)N1CCC[C@@](O)(CC(N)=O)C1 644001055 CLFCFMOXBSRIES-QGZVFWFLSA-N 354.834 1.510 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1noc(C(F)(F)F)n1 646029728 VONQQLKBBUMMFJ-NSHDSACASA-N 354.288 1.682 0 40 FDAB COc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCCC2)on1 585094735 JTJLKXXTQBDWLD-CYBMUJFWSA-N 359.430 1.470 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 12117382 VSEZDCVWCRRUNX-NEYJZJCJSA-N 367.449 1.590 0 40 FDAB COCCn1c(=O)n(CC(=O)NCc2cccc(OC)c2)c2cccnc21 12117552 DZTGGIRNXLCSHP-UHFFFAOYSA-N 370.409 1.169 0 40 FDAB CCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1 12234009 ZYMGKKBDZIEBJC-UHFFFAOYSA-N 357.414 1.719 0 40 FDAB COc1ccc(C)cc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 13636731 MXPCXTACLPWDBM-OAHLLOKOSA-N 360.410 1.474 0 40 FDAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2cc[nH]n2)cnn1-c1ccccc1 19374436 FQDHHIZWTKJFSF-HNNXBMFYSA-N 350.382 1.665 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496215 RTVJRJLMDQXMFP-GDBMZVCRSA-N 373.501 1.423 0 40 FDAB Cc1nonc1CN(C)C(=O)COc1ccccc1-n1cnnc1C1CC1 19559119 AMLQQVVLZUWOQM-UHFFFAOYSA-N 368.397 1.874 0 40 FDAB Cc1nc([C@@H]2CCN(C(=O)CN(C)C)C2)ncc1C(=O)Nc1ccccc1 19766054 NVYDQSBUVCMBRT-OAHLLOKOSA-N 367.453 1.915 0 40 FDAB COCCn1nnnc1CN1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 19594176 YDEDUAJJWOVNOL-OAHLLOKOSA-N 368.445 1.484 0 40 FDAB CS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2cccc(Cl)c2Cl)C1 572729249 VMQMKTCQOXFTCR-PRHODGIISA-N 367.254 1.743 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)nn12 1888904326 WGQFVWDSVLILDY-GASCZTMLSA-N 363.425 1.290 0 40 FDAB COC(=O)C1=CN(Cc2noc(C3CCCC3)n2)S(=O)(=O)N=C1C 1888906650 BAMJYQJDXXSYHM-UHFFFAOYSA-N 354.388 1.305 0 40 FDAB CC1CCN(C(=O)CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1 1889110024 AAYQDVDYQXPCTG-UHFFFAOYSA-N 371.407 1.876 0 40 FDAB C[C@H](CNC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1)c1ccccc1 27631713 SJJWGUWKCBJSAW-IAGOWNOFSA-N 353.470 1.907 0 40 FDAB CC(C)Oc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 2037971268 OXDYAYXRLZOFIA-LNRXMEIDSA-N 371.477 1.983 0 40 FDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)Cn4ccccc4=O)CC3)O2)n1 1565543127 ZISKIXCKXXPEMQ-AWEZNQCLSA-N 358.398 1.453 0 40 FDAB O=C(NC1CC1)c1nnc2n1CC[C@@H]1CN(C(=O)C3CC(F)(F)C3)C[C@@H]21 1565556308 CBBAMPNWHKMAPY-BXKDBHETSA-N 365.384 1.161 0 40 FDAB CC(C)c1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 4061651 LJWJRVBIXRGIDN-UHFFFAOYSA-N 357.439 1.838 0 40 FDAB Cc1ccc2nc(NC(=O)CSc3nnc(C)c(=O)n3N)sc2c1 4337979 MVXPZEPNBBYWPH-UHFFFAOYSA-N 362.440 1.309 0 40 FDAB COc1ccc(-c2nnc3ccc(OCCNC(=O)C4CC4)nn23)cc1 13525167 WEXWFOYJLXYYMI-UHFFFAOYSA-N 353.382 1.705 0 40 FDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccnnc2)CC1 2055754607 HZIJCBWHZYKOIN-UHFFFAOYSA-N 353.426 1.652 0 40 FDAB O=C(CC1CC1)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771935 KMZYJAQOOZLLKZ-OAHLLOKOSA-N 358.364 1.679 0 40 FDAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 585149399 OEKQVBKNJAZOML-CQSZACIVSA-N 350.444 1.169 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3 6672762 YHWSUWHJDWWTSQ-AXVVYFOYSA-N 353.422 1.422 0 40 FDAB CCCNC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2cccnc2)CC[C@H]1O 2332241531 DDIRKGTYCOTUME-NUEKZKHPSA-N 358.446 1.677 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCNC(=O)C3)CCCC2)c1 40079512 ZSQQPYMGYJLNKA-UHFFFAOYSA-N 364.467 1.348 0 40 FDAB COc1cc(C(=O)N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)ccn1 40153222 VFXNBEYOWBHCMP-UHFFFAOYSA-N 364.379 1.322 0 40 FDAB O[C@@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)Cn1cccn1 40153624 LYHDHUIXUBEBQK-ZDUSSCGKSA-N 356.257 1.768 0 40 FDAB Cc1cc(/C=C/C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 50857025 BDEDFATWTPTMIU-GFOMBABLSA-N 353.422 1.820 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 20721211 DVRVOHCFXDULQN-AWEZNQCLSA-N 361.417 1.505 0 40 FDAB COc1cccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 20745390 GHIUZQICUBIBLY-UHFFFAOYSA-N 352.398 1.988 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F 20724214 CTYQEPHJTZPJOL-BJOHPYRUSA-N 364.352 1.907 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 20738716 GQPRUZYZKOBNII-UHFFFAOYSA-N 371.462 1.969 0 40 FDAB O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1345890 JQDFPKKCJFEWOP-SFHVURJKSA-N 373.478 1.940 0 40 FDAB COc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1 1579236 RAONWADDPSSVEU-UHFFFAOYSA-N 351.406 1.797 0 40 FDAB CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 1854678 VJUBAYXDDPOMMY-UHFFFAOYSA-N 357.414 1.310 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N1CCCC1 32764467 FDAGIJNXZOZGOJ-QGZVFWFLSA-N 355.438 1.961 0 40 FDAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(O)nn1 29803561 LHNGJVLCZTZIEN-OAHLLOKOSA-N 362.817 1.639 0 40 FDAB CC(C)NC(=O)CN(C)CC(=O)N(C)CCOc1cccc(Cl)c1 32821015 TWNNOQSJNGVCGB-UHFFFAOYSA-N 355.866 1.634 0 40 FDAB COCc1c(C(=O)O[C@@H](C)C(=O)NC(N)=O)sc2cccc(F)c12 17937901 ZXOTTWUHPGBPAL-ZETCQYMHSA-N 354.359 1.927 0 40 FDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678719 LZSAUITUDXEKCA-LLVKDONJSA-N 361.423 1.781 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 6679607 IFZRSLRPHTYBDW-UHFFFAOYSA-N 351.334 1.679 0 40 FDAB O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089829 AYYHVXPLKPYPTF-UHFFFAOYSA-N 363.414 1.296 0 40 FDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c1 8267912 VDOCHVMPVXCZPB-HZSPNIEDSA-N 362.426 1.693 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccccc2NS(C)(=O)=O)CC1 41591444 BBSQZHRJYGDIDX-UHFFFAOYSA-N 369.443 1.409 0 40 FDAB CN(C)CCCNC(=O)CCNC(=O)N1CCc2c([nH]c3ccccc23)C1 12297056 YDERPRQNLVKSRO-UHFFFAOYSA-N 371.485 1.694 0 40 FDAB biogenic O=C(NCc1ccc(N2CCOCC2)nc1)c1cccnc1N1CCCC1 22485111 PDBPWIPIDVGAJR-UHFFFAOYSA-N 367.453 1.843 0 40 FDAB C[C@@H]1Sc2ccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc2NC1=O 22611925 WFXYHELBTODMLK-UPJWGTAASA-N 363.483 1.958 0 40 FDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1Cl 23196564 GCEYRTHUVHYVRO-JKOKRWQUSA-N 352.818 1.833 0 40 FDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(OC)cc3)[nH]c2=O)cc1 105630225 AWJBLPGOISXQRC-MZTKBTAGSA-N 367.426 1.946 0 40 FDAB CC(C)COC(=O)[C@@H](N)Cc1ccc(C[C@@H](N)C(=O)OCC(C)C)cc1 1247184 CGVQIKVEDXZXHR-HDICACEKSA-N 364.486 1.825 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@@H](C)C(N)=O)C(C)C)cc1C 24651792 WUFIIJQEIPDKKM-GXTWGEPZSA-N 356.444 1.023 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)O)c1 12505092 UREUMSFJBUGFOJ-GFCCVEGCSA-N 360.819 1.280 0 40 FDAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 12552815 OBTPMVLIUHJHNI-LLVKDONJSA-N 361.423 1.976 0 40 FDAB CNC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 12592425 NGMMCFJBDGFEIL-UHFFFAOYSA-N 366.421 1.989 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1cnn2cccnc12 100141287 OVAWPTVRBXBKAT-WFASDCNBSA-N 359.393 1.982 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cn3c(C)cccc3n2)cc1 57896310 LQRPWTRCEDJAQB-UHFFFAOYSA-N 366.377 1.798 0 40 FDAB CN(CC(=O)N1CCCN(Cc2ccccc2F)CC1)c1cnccn1 58314409 ISKMWDOIBLCEQE-UHFFFAOYSA-N 357.433 1.786 0 40 FDAB O=S(=O)(Cc1csc(Br)c1)C[C@@H](O)Cn1cccn1 58439322 TTXBGRFIMMKHLA-JTQLQIEISA-N 365.274 1.683 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(N)=O)c1C 3331649 QYNIXCYBGGJVRF-STQMWFEESA-N 356.444 1.004 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C 28249905 BWQNNBMTMIHVSV-UHFFFAOYSA-N 351.384 1.020 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2C)n1 3344096 SGMXEHUVCUDIOV-UHFFFAOYSA-N 361.387 1.075 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 408975286 LVOSCRQFPGIJAS-KNPMLCFXSA-N 364.195 1.645 0 40 FDAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1nc(-c2ccco2)no1 48235296 VSZCATGYOHLOIR-UHFFFAOYSA-N 358.335 1.882 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)CC3(CCCC3)C1=O)OCO2 12786537 QOLFKXVOGNZLBQ-UHFFFAOYSA-N 372.377 1.876 0 40 FDAB Cc1cc(C)c(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c(=O)[nH]1 12924327 SAWBNPYYHOGUBA-CYBMUJFWSA-N 355.394 1.422 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CN1Cc3ccccc3C[C@H]1C(N)=O)C2=O 12936526 LTAIDOYJIMSMGV-FOCKTWCOSA-N 370.453 1.357 0 40 FDAB Cc1cnc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cn1 8540042 SOJQPTSJYPBZKW-UHFFFAOYSA-N 358.310 1.019 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 5068376 LNBHNJBXJRJWQB-JQWIXIFHSA-N 364.745 1.423 0 40 FDAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(Cl)cc2)N1CCO 13721043 ASYXQBYECQUGTH-WBVHZDCISA-N 367.854 1.981 0 40 FDAB C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)c2C(N)=O)C1 4392484 HRXOFISPFTVCKS-ZJUUUORDSA-N 370.496 1.735 0 40 FDAB C[C@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C(N)=O)C2)C[C@@H](C)O1 65368885 AKYJZFJKKSWNSR-DVOMOZLQSA-N 362.430 1.018 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 65590725 PKSJBKAQYIUZOO-GOSISDBHSA-N 370.365 1.045 0 40 FDAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNC(C)=O 4571132 MGEUIUUMPBIWHY-LJQANCHMSA-N 363.458 1.972 0 40 FDAB COc1ccc([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 20017984 CKFGYTABUNZHLR-LBPRGKRZSA-N 370.471 1.553 0 40 FDAB COC(=O)c1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC)cc1 4649794 VJSBWJNRJPOCLH-WPKBUWHJSA-N 360.366 1.130 0 40 FDAB COC(=O)CSc1nnc(-c2cc(-c3ccc(OC)cc3)[nH]n2)n1N 9089242 JRBOMNDZVKIURT-UHFFFAOYSA-N 360.399 1.323 0 40 FDAB COc1ccc(OC)c(NC(=O)COc2ccccc2P(=O)(O)O)c1 9302840 ZRSQIYJHXGHOBQ-UHFFFAOYSA-N 367.294 1.524 0 40 FDAB in-vitro COc1ccccc1OCCNC(=O)Cn1nc2c(cc1=O)CCCC2 96344447 QLPSBDBRPSAUIT-UHFFFAOYSA-N 357.410 1.326 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 9745624 UFCJZUHUXGJCPZ-AWEZNQCLSA-N 365.363 1.230 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cccc(CO)n1 97105248 HFPDDRIGKQEARZ-UHFFFAOYSA-N 361.423 1.575 0 40 FDAB CC(C)n1nccc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 79480698 GYMVPYBAQAGKQO-CQSZACIVSA-N 355.398 1.933 0 40 FDAB CCOc1cc(N2CC[C@@H]3CN(C(=O)c4c[nH]nc4C)C[C@@H]3C2)nc(C)n1 1049568573 JJLGXIIRQIJYCV-CABCVRRESA-N 370.457 1.814 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306133380 MJXTYRBQHXPVLF-OAHLLOKOSA-N 367.475 1.374 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 36360291 ZXYPQQKZTLRPOU-UHFFFAOYSA-N 361.383 1.480 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)C1 72334259 RQCNORRYIIJULM-PBRBZQILSA-N 368.433 1.771 0 40 FDAB CCn1c(C)nnc1COc1ccccc1S(=O)(=O)N1CCCC1 521397047 SYBICGSJJYBJQX-UHFFFAOYSA-N 350.444 1.970 0 40 FDAB CC(=O)Nc1ccc(Oc2nccnc2C2CCN(C(=O)CN)CC2)cc1 72363191 ZSYHPGCDWZZBJA-UHFFFAOYSA-N 369.425 1.892 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCOCC1)[C@@H]1COc2ccccc2O1 38630274 ZBIOKHCMTBOCPH-KDOFPFPSSA-N 358.394 1.609 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H](c2c(C(N)=O)sc3ccccc23)C1 72352237 KJWLTMYQCOKRSA-SNVBAGLBSA-N 353.469 1.596 0 40 FDAB Cc1cc(S(=O)(=O)N2CCSCC2)cc2c1N(C)C(=O)C2(C)C 71195980 RCEXJIYWRKRTES-UHFFFAOYSA-N 354.497 1.987 0 40 FDAB CN(C[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2F)C1)S(C)(=O)=O 575763247 MZGDYIAHTWGYFG-LBPRGKRZSA-N 358.435 1.627 0 40 FDAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 95473739 IAPGJRFCOWHVIW-QZTJIDSGSA-N 352.390 1.886 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)[nH]n1 96229124 MKJKFCQMYUWUDY-GOSISDBHSA-N 356.430 1.267 0 40 FDAB O=C(c1ccnnc1)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96206043 AOPKPEIAKWZNSM-RBSFLKMASA-N 355.398 1.457 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1cnn(C)c1)C2 96238039 JWACLJJFMDEBME-IBGZPJMESA-N 357.433 1.482 0 40 FDAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccncn1)C2 247826547 JHQDTGXURXROLI-MRXNPFEDSA-N 354.410 1.770 0 40 FDAB C[C@H](Cc1ccccn1)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253608692 URFGMBNNILHMLY-ZCHQSPEWSA-N 355.438 1.550 0 40 FDAB CN(C)C(=O)[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CCN1C 257207762 BJCVHXZLHWRKTQ-SFHVURJKSA-N 356.470 1.342 0 40 FDAB CCn1cc(-c2cncc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)cn1 257217425 CYWFUAQXSGHFSG-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB Cc1cnc(OC2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)nc1 655257295 CCBPDADVQKAJRI-UHFFFAOYSA-N 352.398 1.750 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(OCC(=O)O)cc1 656251259 OQPQVYGTVTUPOR-LLVKDONJSA-N 358.350 1.807 0 40 FDAB CCn1c(O)nc2cc(C(=O)N3CCC(c4nncn4C)CC3)ccc21 666177932 GPFBRIQZRPPIBY-UHFFFAOYSA-N 354.414 1.910 0 40 FDAB Cn1cc(Cl)c(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n1 1615546250 FGEVWRCOYDTRQS-AVGNSLFASA-N 352.822 1.068 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575402775 BVOWVYBLWAKLFQ-WQVCFCJDSA-N 358.467 1.843 0 40 FDAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 585104738 LQRXNRSOYNYRJG-HNNXBMFYSA-N 371.503 1.633 0 40 FDAB O=C(CCc1cncnc1)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 585110653 VCAXASCCWQUIFF-QGZVFWFLSA-N 352.438 1.655 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(C(=O)O[C@H]3CCOC3=O)cc2)CC1 5212151 XPIBHCNKPUHZJD-HNNXBMFYSA-N 367.423 1.580 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 5060485 XSDLHLUFQXVWRC-CQSZACIVSA-N 367.405 1.803 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2)CC1 11161778 WZNNKBGPDFLSNS-UHFFFAOYSA-N 365.377 1.221 0 40 FDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)N(C)C)CC2)C1 12365568 OGCMUDXZQKEKED-UHFFFAOYSA-N 359.470 1.659 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cn2)c1 13960222 PBQSOYUQUYWTCE-YVSFHVDLSA-N 353.378 1.607 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 14128623 XCGWOJVPCGDQCY-STQMWFEESA-N 358.394 1.977 0 40 FDAB CC(=O)Nc1ccc(/C=c2/sc3nnc(-c4cccnc4)n3c2=O)cc1 17198219 OORVQTNEXRBQGH-OQLLNIDSSA-N 363.402 1.719 0 40 FDAB Cn1nccc1C(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19289211 DTUIUKFALNMABR-UHFFFAOYSA-N 354.410 1.654 0 40 FDAB O=C(Nc1ccccc1OCCN1CCCCCC1)c1cc(=O)[nH]c(O)n1 19661069 CDUHRSSWVHRCCD-UHFFFAOYSA-N 372.425 1.983 0 40 FDAB Cn1cc(-c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)on2)cn1 19664731 MNZXAFSRTHWBPX-OAHLLOKOSA-N 351.366 1.128 0 40 FDAB COC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 226318285 QPSLOXJLZMVXLI-ZDUSSCGKSA-N 366.439 1.387 0 40 FDAB COc1ccc(CNC(=O)COC(=O)c2ccc(O)cc2O)cc1OC 3529463 WCMASAWVZYEQMM-UHFFFAOYSA-N 361.350 1.588 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cccc(-n2cnnn2)c1 12096466 MUQKQGYLKBFJSO-UHFFFAOYSA-N 369.356 1.617 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)NC5CCCCC5)C[C@H]4C3)ncnc21 1888881820 WSMAUPHTLDGEST-OKILXGFUSA-N 369.473 1.774 0 40 FDAB Cc1nc(N2C[C@@H]3CN(c4nccn5nccc45)C[C@@H]3C2)nc(O)c1F 1888897631 GWLVLFPIRAREHP-TXEJJXNPSA-N 355.377 1.245 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888982166 CQOIUHMNFIVKGM-MRXNPFEDSA-N 370.434 1.400 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@H](NC(=O)N(C)C)CO2 1565550019 MRSFNSZUFQJMJO-ZDUSSCGKSA-N 362.430 1.125 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1Cl 1565523049 YCICWQZHFGDVLL-CYBMUJFWSA-N 374.890 1.834 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)Cc2nccn2-c2ccccc2O3)n1 1565553654 HAPVNFGNDJSJMX-UHFFFAOYSA-N 364.409 1.611 0 40 FDAB CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(C)cc3)c(=O)[nH]2)CC1 4033691 OWRLJJXINJRMSO-UHFFFAOYSA-N 358.398 1.113 0 40 FDAB COc1cc(C(=O)Nc2nnc(C3=COCCO3)o2)cc(OC)c1OC 4107196 SZAPURFXCIJNEF-UHFFFAOYSA-N 363.326 1.693 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1I 4504644 JZGXXHMHFGGZLE-MRVPVSSYSA-N 365.192 1.208 0 40 FDAB O=C(NCc1ccccn1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850978 VFSWFBUMGDSPBO-CYBMUJFWSA-N 360.439 1.056 0 40 FDAB C[C@H]1CN(C(=O)Cn2cc(SCC(N)=O)c3ccccc32)C[C@H](C)O1 17246434 WZNUPPWHWGAVIR-STQMWFEESA-N 361.467 1.855 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCOc2ccccc2)C1 2055772734 VPUZNDHNSFGBRI-LJQANCHMSA-N 356.426 1.416 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2F)C1 2055771879 GODXLMPGZKBWIK-LJQANCHMSA-N 358.417 1.671 0 40 FDAB COc1ccc(C(=O)N2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)c(OC)c1 2055839532 GPCPZQQWMHRKAQ-ACJLOTCBSA-N 358.398 1.542 0 40 FDAB Cc1ccc(OCC2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1 1775966235 VKNNWGACAFNUDB-UHFFFAOYSA-N 368.503 1.997 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(CCc2ccc3c(c2)CCO3)C1)C1CC1 2086864768 HKSVWNNOQISMSR-MRXNPFEDSA-N 350.484 1.710 0 40 FDAB CC(C)Cc1nc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)n[nH]1 206230590 DDFSNVVZMNQDEV-UHIISALHSA-N 366.491 1.668 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccccc1Cl 40039685 XVHCTEYWWNIUMM-VIFPVBQESA-N 358.785 1.766 0 40 FDAB CN1CCN(CCNC(=O)C[C@H]2CSc3ccccc3NC2=O)CC1 20031586 STRQPYIMVQILAV-AWEZNQCLSA-N 362.499 1.101 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)N[C@@H]1CCS(=O)(=O)C1 32097390 ZKERLKADBQUIFE-CQSZACIVSA-N 374.422 1.643 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 17073896 SJIYTFDFOIQRAO-NSHDSACASA-N 358.317 1.006 0 40 FDAB COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 29736281 FSSKZOMXRPWTOE-INIZCTEOSA-N 359.470 1.848 0 40 FDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(C(C)=O)CC1 32740459 MQRITEOOHULODW-CQSZACIVSA-N 367.471 1.258 0 40 FDAB COCCCNC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 4888599 ULVQASWGGIUJKC-UHFFFAOYSA-N 353.463 1.931 0 40 FDAB O=C(NCc1cccnc1)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 6669515 UROUHZNCYQHZAL-LJCCNALRSA-N 353.422 1.422 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 107786266 UUKPOZLZXYSINW-GDBMZVCRSA-N 351.403 1.817 0 40 FDAB Cn1cccc1C(=O)N[C@H]1CCN2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2C1 8295005 JUEPCZRIAYXKMS-BBRMVZONSA-N 370.384 1.894 0 40 FDAB biogenic,in-vitro CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 629439 XBMJVXHRUISLBG-UHFFFAOYSA-N 359.405 1.467 0 40 FDAB CCNC(=O)NC(=O)CN1CCO[C@H](c2ccc(Br)cc2)C1 58172185 AGARUXZFUTUSPB-ZDUSSCGKSA-N 370.247 1.668 0 40 FDAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Cn2cncn2)cc1 41820863 JRYKOVVULYKRKN-UHFFFAOYSA-N 351.414 1.574 0 40 FDAB O=c1[nH]nc(-c2ccc(O)cc2)c2c1Nc1nnnn1[C@H]2c1ccccc1 12376195 DQUPGMMNJHRUQJ-INIZCTEOSA-N 359.349 1.824 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc12 24032660 MWSIFTIHIFIDLD-LLVKDONJSA-N 363.377 1.900 0 40 FDAB Cc1c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1-n1cnnn1 24106163 ONVSKJDZWBDOIL-UHFFFAOYSA-N 370.394 1.266 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)N2CCc3sccc3C2)cc1 54918882 CLTBEHDOZLKUDH-UHFFFAOYSA-N 351.453 1.663 0 40 FDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 108234264 MYTHDDPRIDIHPS-VIPLHTEESA-N 367.405 1.210 0 40 FDAB O=c1ccc2cc(S(=O)(=O)NCCCOC[C@H]3CCCO3)ccc2o1 25672314 OKUVOHHBVVYDJQ-CQSZACIVSA-N 367.423 1.657 0 40 FDAB CCc1cc2c(=O)n(CC(=O)Nc3sccc3C(N)=O)cnc2s1 25811194 ZYIYNWDKCYENFU-UHFFFAOYSA-N 362.436 1.820 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1Cc2cc(Cl)ccc2O1 58159567 AHIXBNBFBQWDQU-HNNXBMFYSA-N 355.785 1.936 0 40 FDAB Cc1nc2sccc2c(=O)n1NC(=O)c1nn(C)c(=O)c2ccccc12 12615800 NRZWTKAJRCCLES-UHFFFAOYSA-N 367.390 1.397 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc(F)c2)ccc1OC 113945315 YBVHDIXTWRZBSX-UHFFFAOYSA-N 352.387 1.672 0 40 FDAB O=C(CCC1CCCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58246242 ADHPOYOBODSZHU-UHFFFAOYSA-N 358.398 1.654 0 40 FDAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 2137057 XIJSWZYKEKNKCY-UHFFFAOYSA-N 355.485 1.940 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 12890240 BERLLYQWCZKKNP-UWVGGRQHSA-N 365.411 1.434 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-n1cnnn1 3446860 DREQKNILBKRGQY-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3610491 ZHXOHZYNIBAKRO-AWEZNQCLSA-N 354.204 1.352 0 40 FDAB CCCCC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 8777948 JBILIKRTNYZUJB-UHFFFAOYSA-N 354.472 1.655 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(c2ccccc2)CC1 14188039 XXFHUXQLYGZCAI-UHFFFAOYSA-N 360.435 1.804 0 40 FDAB CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C)sc2c1CCC2 6669400 HMDKSZRNHSADSA-UHFFFAOYSA-N 353.444 1.030 0 40 FDAB CN(C)CCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6796996 IOFSLJAASIOHPZ-UHFFFAOYSA-N 356.451 1.871 0 40 FDAB COc1ccc(N2C(=O)/C(=C/NCCO)c3ccccc3C2=O)c(OC)c1 5907324 MPOQCFVUJBUCSH-FOWTUZBSSA-N 368.389 1.814 0 40 FDAB O=C(NCCN1CCOCC1)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 306124903 CBYATTMXQLCAEO-INIZCTEOSA-N 354.454 1.630 0 40 FDAB O=C(CN1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7780821 FLSGPEDGYJHGRU-UHFFFAOYSA-N 351.472 1.896 0 40 FDAB COc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1OC 7955783 ZXQNKANYZZVHHO-UHFFFAOYSA-N 372.425 1.394 0 40 FDAB O=C(CCc1nc(-c2ccsc2)no1)N1CCN(c2ncccn2)CC1 7955687 WCKAFSCJBXPUKX-UHFFFAOYSA-N 370.438 1.870 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccncc1 408558701 KAXNWQPIVSSAEM-ZDUSSCGKSA-N 363.439 1.382 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 16623655 MHNAVLBORCPTRO-QGZVFWFLSA-N 372.406 1.253 0 40 FDAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nc(N)nc(N(C)C)n1 9112750 BVFUWVQPYLKGBI-UHFFFAOYSA-N 354.370 1.840 0 40 FDAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(N)(=O)=O 8231848 HRBNNLDMHYZMDF-AWEZNQCLSA-N 364.379 1.121 0 40 FDAB O=C(NCCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2s1 96347273 PUPKGNUNAUHZIU-UHFFFAOYSA-N 372.450 1.361 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C[C@H]2CCCO2)c1C 9534193 JGRHNGNZAYQKPF-GFCCVEGCSA-N 363.443 1.975 0 40 FDAB COC(=O)[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 9576628 QOVDVNPBKIZCMC-CYBMUJFWSA-N 368.455 1.461 0 40 FDAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)NC(C)C)c2C)C1 71889489 WXSRRVBMLXKBKX-UHFFFAOYSA-N 370.457 1.802 0 40 FDAB CCN(CC(=O)NCCc1nc2ccccc2s1)CC(=O)NC(C)C 96954818 GIZKGXXFLXBKEU-UHFFFAOYSA-N 362.499 1.802 0 40 FDAB C[C@@H](CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)Oc1ccccc1Cl 97045744 XSRUUCGIIWGRDY-JQWIXIFHSA-N 374.846 1.462 0 40 FDAB Cc1nc2c(c(C)c1CNC(=O)Nc1nnc(C3CC3)s1)c(=O)[nH]n2C 72286264 BPOKZOBTEGAXRC-UHFFFAOYSA-N 373.442 1.929 0 40 FDAB O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1 84335528 AJQXKURUYZFWLW-CYBMUJFWSA-N 362.423 1.555 0 40 FDAB CCOC(=O)[C@@H](NCC(=O)NCCCN1CCCCCC1=O)[C@@H](C)CC 95466658 FFTQRTMUODXBII-YJBOKZPZSA-N 369.506 1.463 0 40 FDAB CCOc1ccc2nc(NC(=O)CN3C(=O)NC(C)(C)C3=O)sc2c1 23761931 WNDQLKPUQLJIBD-UHFFFAOYSA-N 362.411 1.964 0 40 FDAB CCOC(=O)c1ccc(N2CCN(Cc3ccc(OC)nc3)CC2)nc1 75094660 UQINPWPYBGMASM-UHFFFAOYSA-N 356.426 1.984 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@H]2C[C@H]2C1=O 89744104 OWCHZYHKTRPVKK-PHIMTYICSA-N 351.200 1.412 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35877105 YRSZYPUSIVCZEE-ZBRKSVTJSA-N 355.438 1.862 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2 408702907 KANBQWWKJVCEFB-UHFFFAOYSA-N 354.428 1.236 0 40 FDAB CN(C)c1cccc(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1 675008302 PQMKOYLLZJTMHT-UHFFFAOYSA-N 367.453 1.972 0 40 FDAB COc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnc2c(O)nc(C)nc21 72324955 PBVCIDCUGXRRPC-GFCCVEGCSA-N 368.397 1.549 0 40 FDAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCC([C@@H]2CCNC2)CC1 565362646 KAINNJJAAXIEKN-RTBURBONSA-N 366.527 1.895 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 40002589 NDKVKPCXIVULHA-HNAYVOBHSA-N 371.481 1.826 0 40 FDAB CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@H](CC(=O)O)C1)c1ccccc1 569908746 CGNDEQRSORMQRL-UKRRQHHQSA-N 368.455 1.669 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3ccnc(O)c3c2)C1=O 570711611 XJRYWPOQBUGLNO-GOSISDBHSA-N 354.366 1.599 0 40 FDAB CCOC(=O)CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1CC1 48262734 BLMRHCSCJGTXTJ-UHFFFAOYSA-N 369.377 1.697 0 40 FDAB Cc1ccc(CN2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)cc1 44913704 FFQJHSWYOKQSRI-UHFFFAOYSA-N 372.557 1.961 0 40 FDAB O=C(c1cc(N2CCOCC2)on1)N1CCN(c2ccc(F)cc2)CC1 224079102 MDHBGKXUZOFXHW-UHFFFAOYSA-N 360.389 1.613 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048985 PWXYDRQUSGKISQ-UHFFFAOYSA-N 359.455 1.440 0 40 FDAB Cc1ccoc1C(=O)N1CCc2nc(N3CCOCC3)nc(C)c2CC1 96083891 YAUNDOYFQQGGPK-UHFFFAOYSA-N 356.426 1.764 0 40 FDAB CC(=O)N1C[C@@H]2CN(Cc3ccc(C)s3)CCN2C[C@@H](C(=O)O)C1 247959393 UYKJPGHRLUEEBX-CABCVRRESA-N 351.472 1.106 0 40 FDAB O=C(c1cocn1)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 247877865 UOVQTCXZWNMQCR-MRXNPFEDSA-N 360.414 1.902 0 40 FDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cnccn3)CC2)ncn1 257200065 ABWJDSWLUQHOEX-CQSZACIVSA-N 368.441 1.453 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)CCO2)n1 257277401 NXUOBEDWRHUJQA-OAHLLOKOSA-N 354.414 1.602 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2ccccn2)C1)c1noc2c1CCCC2 257296251 RBXDUVPFMHJFBW-LJQANCHMSA-N 356.426 1.710 0 40 FDAB COc1cccc2c(C)c(C(=O)N3CCN(C)[C@@H](C(=O)N(C)C)C3)[nH]c12 257253641 JZROJSQRZRGYFA-CQSZACIVSA-N 358.442 1.329 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH]1 257317436 VJTCRMKNFKRIBX-HNNXBMFYSA-N 356.426 1.831 0 40 FDAB Cn1nccc1[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 281384335 UYEYAWXILFGEGI-KDOFPFPSSA-N 359.430 1.194 0 40 FDAB NCc1cnn(Cc2cn(C[C@@H](O)Cc3ccc4ccccc4c3)nn2)c1 641225656 BGHOIMQVGQMLFQ-FQEVSTJZSA-N 362.437 1.738 0 40 FDAB COCCOc1ncccc1NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 665963873 IWHIXDUHBFIGSM-VXGBXAGGSA-N 357.432 1.194 0 40 FDAB Cc1nc(C)c(Br)c(NC[C@H]2CCc3nnc(C)n3C2)n1 596125654 UNAXNACENLAWGT-LLVKDONJSA-N 351.252 2.430 0 40 FDAB CCc1occc1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)n1C 1775992037 OEOQPCDLJLPPSK-QWHCGFSZSA-N 372.425 1.008 0 40 FDAB CC(=O)NC[C@@H]1CN(Cc2cccc3c2OCCO3)C[C@H]1c1cncn1C 1615551322 LDLFDLHWKFIYHU-IAGOWNOFSA-N 370.453 1.543 0 40 FDAB CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1616028927 LNIDMQWWQYAQOG-OAGGEKHMSA-N 351.472 1.608 0 40 FDAB O=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccc2c(c1)CCO2 96103940 DSNMPIYJFFRSOU-UHFFFAOYSA-N 371.422 1.254 0 40 FDAB O=C(Cc1ccco1)N1Cc2ccnn2CC[C@@H]1COc1cnccn1 585097617 NSLDOYSFGXNUCQ-OAHLLOKOSA-N 353.382 1.689 0 40 FDAB C[C@@H]1Cc2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1 585098211 SADIOVNMTXXZMF-CQSZACIVSA-N 353.430 1.432 0 40 FDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2ccc(OC)c(F)c2)CCO1 585278623 PIHIQGWHQXBJGV-SFHVURJKSA-N 354.422 1.530 0 40 FDAB COc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)cc1 585285130 OEBWSZWYDRLCDN-PZJWPPBQSA-N 370.449 1.423 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1 68077166 SSYYZMZNUNEDFQ-UHFFFAOYSA-N 350.382 1.697 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4nccc(C(F)(F)F)n4)C3)nn12 585608410 XVXJBBWPLYCEEN-UHFFFAOYSA-N 364.335 1.567 0 40 FDAB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Cl 8092060 PKQGIOLAMIIUON-WAPJZHGLSA-N 372.164 1.647 0 40 FDAB COc1ccc(CNC(=S)Nc2cc(S(N)(=O)=O)ccc2O)cc1 5899263 IMNNGUBCCNHWGM-UHFFFAOYSA-N 367.452 1.535 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 18241122 BTCTVOVUCWBAAI-HUUCEWRRSA-N 357.362 1.372 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CN3CCCC3=O)CC1)O2 19219108 WMTQFMSOEKPDSW-UHFFFAOYSA-N 371.437 1.101 0 40 FDAB CCCc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1 19525379 MEWPLKPIWGOFDI-AWEZNQCLSA-N 371.441 1.889 0 40 FDAB COc1cc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)ccn1 19550289 HEYCOYNBPXVPAO-HXUWFJFHSA-N 367.405 1.887 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1C 19571440 JPVRUNSWKMJHFY-UHFFFAOYSA-N 353.469 1.971 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)nc(O)c1F 1888864306 MQDMVIXJZOAXRL-BETUJISGSA-N 357.389 1.487 0 40 FDAB O=C(c1nc[nH]n1)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888897570 YMPUIEWYXXKQCR-UHFFFAOYSA-N 367.413 1.656 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226312 PCCLFTKVSWRINF-PKOBYXMFSA-N 356.426 1.086 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1(F)CCC1)C2 1614947460 MEQACWMOLFVVJP-GOSISDBHSA-N 374.416 1.140 0 40 FDAB c1ccc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)nc1 2087043975 NIOWIFFBFHRXCK-HNNXBMFYSA-N 365.441 1.727 0 40 FDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C(=O)OC)cc1 1432458 KNVIYVKFELJOBP-CHWSQXEVSA-N 362.411 1.695 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1I 4504645 JZGXXHMHFGGZLE-QMMMGPOBSA-N 365.192 1.208 0 40 FDAB O=C(NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1cccnc1 12374797 NIZINJJTJWFCIZ-UHFFFAOYSA-N 371.784 1.945 0 40 FDAB O=C(N1CCCC1)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796179 LEFJONQHGDDVFE-LJQANCHMSA-N 373.457 1.003 0 40 FDAB CCOCC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055708112 KEIIVGORCLIGSW-UHFFFAOYSA-N 356.426 1.876 0 40 FDAB Cn1cnc(S(=O)(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1 206752137 BVVBXDIGEUZBNN-UHFFFAOYSA-N 360.399 1.108 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 43941824 DKCACVNOKGOTTM-UHFFFAOYSA-N 351.378 1.667 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC(c2nc(-c3cnccn3)no2)C1 49485042 QKVJZVQKTOXJAM-UHFFFAOYSA-N 362.349 1.836 0 40 FDAB COc1c(F)c(F)cc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1F 575614989 BBLBUUMGJUABIM-UHFFFAOYSA-N 358.272 1.163 0 40 FDAB COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21 3213416 MOBXWXRBAONHFS-UHFFFAOYSA-N 356.172 1.558 0 40 FDAB Cc1nn(CC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c(=O)c2ccccc12 31295340 YOXTZBKUWGNZPG-KRWDZBQOSA-N 373.359 1.833 0 40 FDAB COc1ccc(OC)c(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)c1 31893563 KYZFDVHKBNXGOJ-CQSZACIVSA-N 369.421 1.811 0 40 FDAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 20591945 IOLQHJMRAUIZQB-KRWDZBQOSA-N 372.469 1.203 0 40 FDAB O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@@H]1CCCCNC1=O 46210497 FQKPHHOVKPDTJM-CYBMUJFWSA-N 364.467 1.959 0 40 FDAB COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)cc1 1372733 UXVLZOWDMWWVSV-UHFFFAOYSA-N 352.354 1.086 0 40 FDAB Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 32753324 SHCBZHBDSMKANC-UHFFFAOYSA-N 356.835 1.538 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccn1 7099792 SMCKVTUGJSYXFZ-UHFFFAOYSA-N 374.249 1.983 0 40 FDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2 107263853 YKIWTUZDKZIXLZ-NUEKZKHPSA-N 368.430 1.272 0 40 FDAB C[C@@H](Sc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NC1CCCC1 22000093 FQMJZQSGMXBULB-GHMZBOCLSA-N 372.516 1.257 0 40 FDAB O=C1COc2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)ccc2N1 22259179 QRFUUUPUYXEYHX-UHFFFAOYSA-N 355.302 1.786 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)C(C)C)n(C)c1 53922980 NMIJDEYZDWGECB-UHFFFAOYSA-N 373.475 1.079 0 40 FDAB Cn1ccnc1[C@H](NS(=O)(=O)N1CCCCC1)c1cccc(F)c1 12525133 CGOQTBHMYYAMEF-OAHLLOKOSA-N 352.435 1.969 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 25033441 IRLIEEQVSQBCCZ-LBPRGKRZSA-N 359.209 1.426 0 40 FDAB O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl 3394665 MMQSPFYXMCFLTM-UHFFFAOYSA-N 373.844 1.599 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]2c3ccccc3CCN12 36071046 NWFVCBCXOFZIGV-QGZVFWFLSA-N 360.410 1.956 0 40 FDAB C[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCO2 27631036 IHWXNHJMSNRJJD-AWEZNQCLSA-N 369.425 1.205 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 48248186 SNZJDWKDRYHRAT-NSHDSACASA-N 366.377 1.693 0 40 FDAB CC(=O)Oc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)c1 2294631 PCJAPBHMNJUKAH-AQTBWJFISA-N 368.389 1.491 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)cc1C(=O)O 28256477 CECBGYUXHIZSNH-UHFFFAOYSA-N 364.379 1.358 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 48310063 JYIIJTZSINTXRW-ZDUSSCGKSA-N 370.500 1.050 0 40 FDAB CSc1ccc(CN(C)[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12807073 YQLOGBCPLWTVLG-TZMCWYRMSA-N 356.513 1.532 0 40 FDAB O=C(O)CN(C(=O)CSc1nnnn1C1CCCC1)c1ccccc1 12979912 MIECFZJBLWVRKB-UHFFFAOYSA-N 361.427 1.998 0 40 FDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709445 TVJHZYFRYKJRCU-UHFFFAOYSA-N 360.458 1.365 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(F)cc(F)c2)cc1 13012355 BBFXERDEWBMHPW-UHFFFAOYSA-N 354.378 1.982 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 17028134 UIMNQLVFQJGJRG-UHFFFAOYSA-N 353.334 1.115 0 40 FDAB O=S1(=O)C[C@H](N2CCCCC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371422 DBFOIQWUGXFJRE-GJZGRUSLSA-N 361.460 1.251 0 40 FDAB CCOc1ccc(CCC(=O)NCCN2CCOCC2)cc1OCC 20488004 ORUPUBBXNHASMM-UHFFFAOYSA-N 350.459 1.865 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 65495613 FDNWKOSAGDFBGK-HNNXBMFYSA-N 358.442 1.593 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1 14168759 HEYQSONLKULJSW-UHFFFAOYSA-N 374.510 1.898 0 40 FDAB CCC(CC)NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 14188330 LGRQRYJHNDYNEM-JTQLQIEISA-N 360.505 1.114 0 40 FDAB CN(C)CCCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6758046 VZCXDGOCKMXOGQ-UHFFFAOYSA-N 354.476 1.772 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccn2c1=O 14848573 PMHWTAKIXKEHSQ-UHFFFAOYSA-N 361.361 1.203 0 40 FDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 8744603 AYZFJPYXEAJBKU-UHFFFAOYSA-N 363.439 1.133 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1C2CC3CC(C2)CC1C3 4846591 YODGMVVFEAMCRK-UHFFFAOYSA-N 374.462 1.772 0 40 FDAB CCOc1ccc(CCNC(=O)CSc2nnnn2C)cc1OCC 4807593 RELYLDVZDOIOJA-UHFFFAOYSA-N 365.459 1.459 0 40 FDAB CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C 4930470 TZDQJGGASZQTSE-AWEZNQCLSA-N 361.490 1.854 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(Br)cn1 8991729 WZZZGWMTANMBLH-UHFFFAOYSA-N 360.171 1.588 0 40 FDAB Cc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C 7517378 NIYLBMJXPWILMP-ZDUSSCGKSA-N 357.501 1.711 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccccc1 9763941 HFLILDFMLLIFQD-UHFFFAOYSA-N 352.398 1.487 0 40 FDAB COc1ccc2cnn(CC(=O)Nc3cc(C)ccn3)c(=O)c2c1OC 79488384 JYXZQFHQOUWTOP-UHFFFAOYSA-N 354.366 1.756 0 40 FDAB COc1cc2nc(C)n(CC(=O)NCc3ccco3)c(=O)c2cc1OC 72325903 GUCRFNQXNDJDHI-UHFFFAOYSA-N 357.366 1.632 0 40 FDAB biogenic CN1C[C@H](C(=O)Nc2nc(CCc3c[nH]c4ccccc34)n[nH]2)CC1=O 95474181 LFIVPANOZVRKCZ-GFCCVEGCSA-N 352.398 1.488 0 40 FDAB Cc1noc(C)c1CN(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999935 NFCPHQHCKJUULI-UHFFFAOYSA-N 363.439 1.578 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 85593400 QPJJONVJBXAQIQ-GJZGRUSLSA-N 372.421 1.613 0 40 FDAB C[C@H](C(=O)NOCc1cccnc1)N1CCN(c2ccc(F)cc2)CC1 89518712 OAPKZPHMZDIQCQ-OAHLLOKOSA-N 358.417 1.979 0 40 FDAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 29176244 OJDKWZCSDGYLAI-NSHDSACASA-N 360.414 1.228 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1 20769116 NQCSJYDXVLYHPG-UHFFFAOYSA-N 361.423 1.192 0 40 FDAB COc1cccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)c1 306139341 SUYLSBCNBAIJGA-INIZCTEOSA-N 355.442 1.541 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(Cc1cnn(C)c1)C2 306137789 RGLOTAPNDHWWCW-QGZVFWFLSA-N 355.486 1.928 0 40 FDAB COCCOc1cc(NC(=O)c2ccc(-n3cncn3)nc2)ccc1OC 506007020 JSGHUOGMCFHSMG-UHFFFAOYSA-N 369.381 1.948 0 40 FDAB CC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3F)co2)CC1 36360762 XYIDMSBIYSDTFS-UHFFFAOYSA-N 374.368 1.662 0 40 FDAB CN(C(=O)COc1ccc2ccc(=O)oc2c1)[C@@]1(C)CCS(=O)(=O)C1 36594814 FKGSLYYGUHJBLT-KRWDZBQOSA-N 365.407 1.207 0 40 FDAB O=S(=O)(c1cnn(C(F)F)c1)N1CCN(Cc2ccccc2F)CC1 36614966 ZAVBMHDMKKBJOG-UHFFFAOYSA-N 374.388 1.924 0 40 FDAB CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1OC 39985640 WKBKGVQWZDAYEZ-CQSZACIVSA-N 370.471 1.309 0 40 FDAB CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCCC2)cc1 32759430 YQESLVMAGXXERK-UHFFFAOYSA-N 360.501 1.938 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1540348202 PFNNCJZZWLPKKM-MRXNPFEDSA-N 357.410 1.275 0 40 FDAB Cc1nc(N2CCC(C(=O)NCC(N)=O)CC2)nc2ccc(C(C)C)cc12 11880850 UJFILUZMZCWKME-UHFFFAOYSA-N 369.469 1.880 0 40 FDAB O=C(c1cc(Cl)ccc1F)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 38437550 MMUADZPDRLQDIW-GFCCVEGCSA-N 360.838 1.424 0 40 FDAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)Oc2ccc(Cl)cc21 35511737 SPJNHOMNIFGRDC-CQSZACIVSA-N 358.847 1.880 0 40 FDAB COc1cc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2cc1OC 36685491 YTAOYBJNNKWRBW-UHFFFAOYSA-N 359.429 1.143 0 40 FDAB COc1ccc(OCc2cn(CC(=O)Nc3cc(C)nn3C)nn2)cc1 227168093 JPBLLXRJQHJGQH-UHFFFAOYSA-N 356.386 1.546 0 40 FDAB CCN1CCC(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 48286925 ODQYSAQRQYMGKI-UHFFFAOYSA-N 365.499 1.824 0 40 FDAB COc1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 224360172 BEMGYBQPYIJPCS-UHFFFAOYSA-N 356.429 1.942 0 40 FDAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 44840029 PQVWXSOUVMEVAF-KBPBESRZSA-N 359.426 1.429 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96041032 ZZWPJHUXVXONEM-XIRDDKMYSA-N 353.426 1.514 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1S(C)(=O)=O 96208628 YQJZVZMSPJYRLX-HNNXBMFYSA-N 356.488 1.851 0 40 FDAB CNC(=O)c1nc2c(s1)CCN(C(=O)Cc1ccc(OC)cc1)CC2 96146966 OZZJTKOWVQOYJX-UHFFFAOYSA-N 359.451 1.681 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccccn1)CCN(C(=O)C(C)C)C2 96036190 FIUULIQALWSWLZ-HXUWFJFHSA-N 372.469 1.261 0 40 FDAB CS(=O)(=O)N1C[C@@H]2CN(Cc3cccs3)CCC[C@]2(C(=O)O)C1 96185195 GFARDPAAIJTWTL-WFASDCNBSA-N 358.485 1.306 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230589 UXXUWGNCUZDDFZ-XTDOFWJNSA-N 362.401 1.803 0 40 FDAB Cc1nc(C(=O)N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)cs1 248045844 QIXBKHQUTCUGDV-ZDUSSCGKSA-N 359.455 1.975 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1F 253405985 UBDXVXADJQHSKO-UHFFFAOYSA-N 352.435 1.549 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cccnn3)CC[C@H]21 257255935 KJLWFVNCCAZFIC-ZHALLVOQSA-N 350.422 1.953 0 40 FDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257254943 KFKAHATYGSQRGK-QGZVFWFLSA-N 354.410 1.394 0 40 FDAB O=C(N[C@@H]1CN(CC2=Cc3ccccc3OC2)C[C@H]1O)c1ccccn1 257202829 ANPNRKBBTXKAFA-QZTJIDSGSA-N 351.406 1.333 0 40 FDAB O=C1C[C@@H](c2ccccc2)N(CCN2C(=O)c3ccccc3C2=O)CCN1 52834094 FZRUDTNLTIYVRW-SFHVURJKSA-N 363.417 1.846 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257309005 TZCZIVIILBJKLR-GFCCVEGCSA-N 355.320 1.600 0 40 FDAB Cc1ccc2c(CC(=O)N3CC[C@@](O)(CN4CCOCC4)C3)coc2c1 257211279 BYGJUSNBOAFDPS-HXUWFJFHSA-N 358.438 1.579 0 40 FDAB Cc1c(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cnn1C 257321216 WAPTZUKYDKFSFC-CYBMUJFWSA-N 351.476 1.310 0 40 FDAB C[C@@H]1C[C@H]1c1nnc2ccc(=NCCOc3ccc(C(=O)O)cc3)[nH]n12 649401136 UYIALMSEDHOXFY-BXUZGUMPSA-N 353.382 1.859 0 40 FDAB CO[C@@H](CS(=O)(=O)Nc1cncnc1-c1ccccc1)[C@@H]1CCOC1 656731220 KQMNBYCZSVINEZ-ZBFHGGJFSA-N 363.439 1.937 0 40 FDAB Cn1c(O)nc(N2CC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1=O 1179236741 PQOIBWBLSZBMGU-LBPRGKRZSA-N 354.366 1.241 0 40 FDAB O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[C@H](C(=O)N2CCCC2)C1 673351553 ZMDKZCXIEGFULG-AWEZNQCLSA-N 356.382 1.114 0 40 FDAB O=C(c1ccnc(OCC(F)F)c1)N1CCN(C[C@@H]2CCCO2)CC1 677503662 LNGJCJYLXFYWJT-AWEZNQCLSA-N 355.385 1.662 0 40 FDAB COCCc1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 90608742 PMPCBICSZXQKMZ-UHFFFAOYSA-N 357.457 1.888 0 40 FDAB Cc1cccnc1Oc1ccc(C(=O)NCCCCS(N)(=O)=O)cc1 1637778087 JROYWOSKRNROFF-UHFFFAOYSA-N 363.439 1.981 0 40 FDAB Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cnccn2)CCC(=O)N1C1CC1 621006921 ZGHHUKIJRKYAAW-WBMJQRKESA-N 354.414 1.082 0 40 FDAB COc1ccc(CCNC(=O)c2cn3c(n2)COCC3)cc1OC(F)F 625050386 HXYMQHJUIYMOCR-UHFFFAOYSA-N 367.352 1.996 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)Cc3ccc4c[nH]nc4c3)C2)nn1 630197426 QENFBNFXEVDIJW-CYBMUJFWSA-N 354.370 1.259 0 40 FDAB CCS(=O)(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C 585096392 LPLBBXBMFBAYBD-LLVKDONJSA-N 368.484 1.601 0 40 FDAB Cc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1 585285877 UPBYRHNHSDASFA-UNMCSNQZSA-N 368.477 1.652 0 40 FDAB CCS(=O)(=O)c1cnc(O)c(C(=O)Nc2ccc3c(=O)[nH]ccc3c2)c1 1645133888 UBOMOHPILNKNBA-UHFFFAOYSA-N 373.390 1.675 0 40 FDAB COCCOCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160406 QXHIZQVFXBRSMR-IBGZPJMESA-N 362.426 1.074 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 5250907 AECCVPXSNNJGQS-UHFFFAOYSA-N 355.394 1.951 0 40 FDAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCCCCC1 19014936 VTPJIYWMUQDRHK-UHFFFAOYSA-N 359.474 1.131 0 40 FDAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)C(C)(C)C)CC3 19081595 JIHVXRPMKGJUIX-UHFFFAOYSA-N 359.426 1.845 0 40 FDAB O=C(c1cscn1)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 19292461 VICKPGIQKNCSKH-ABAIWWIYSA-N 357.439 1.672 0 40 FDAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCCC1 19697297 FKPNXGBHRYSRHH-UHFFFAOYSA-N 367.453 1.258 0 40 FDAB O=C(CCCn1cccn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586044 SSLRVZSHHPJXTR-QWFCFKBJSA-N 355.438 1.809 0 40 FDAB C[C@@]1(NS(=O)(=O)c2ccc(C(=O)O)c(C(F)(F)F)c2)CCOC1 645994563 ZCXJOEQCUFMBHN-GFCCVEGCSA-N 353.318 1.861 0 40 FDAB C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(C(N)=O)cc1 4407695 GYNRTLHQVBVAPS-LLVKDONJSA-N 352.350 1.617 0 40 FDAB Cc1nc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c2ccncc2n1 1888897558 VRZSBHVVAJWENW-UHFFFAOYSA-N 365.441 1.947 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1Cl 32418241 WZFRWHPWBXCDTO-OAHLLOKOSA-N 372.874 1.660 0 40 FDAB CN1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(CC2CCCC2)C3)C1 2056226351 PQFSGLJXEVTRFF-HNNXBMFYSA-N 362.474 1.283 0 40 FDAB O=C(Cc1ccccn1)N1CCOC2(CCN(Cc3ccccn3)CC2)C1 1565542413 ZXNYCDXCWGMZNK-UHFFFAOYSA-N 366.465 1.913 0 40 FDAB Cc1ncccc1CCC(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 1565556017 ULDDVHVCQPYXAN-FQEVSTJZSA-N 367.453 1.712 0 40 FDAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccco1 16851167 DKSOMLYWGOQYNG-UHFFFAOYSA-N 372.406 1.926 0 40 FDAB Cc1nc(N(C)CC2CN(Cc3c4c(nn3C)CCC4)C2)nc(O)c1F 2298048041 YDBCUOWEVOACDV-UHFFFAOYSA-N 360.437 1.420 0 40 FDAB CN(c1ccccc1)S(=O)(=O)CS(=O)(=O)N(C)c1ccccc1 1679109 YIZBKJXABHAUPB-UHFFFAOYSA-N 354.453 1.876 0 40 FDAB NC(=O)CCN(C(=O)CCNC(=O)/C=C/c1ccco1)c1ccc(F)cc1 32815156 MZFFILOWQRUBSP-BQYQJAHWSA-N 373.384 1.847 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccccc1SC(F)F 32882186 LKVHXUYWSJXMFI-UHFFFAOYSA-N 369.349 1.893 0 40 FDAB Cc1ccc2nc3sc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)c(N)c3cc2c1 4848753 YMZRWAGOMOEXMP-UHFFFAOYSA-N 367.390 1.969 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2o1 4885288 RNDSACUXEJQRLP-UHFFFAOYSA-N 359.407 1.632 0 40 FDAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678721 LZSAUITUDXEKCA-NSHDSACASA-N 361.423 1.781 0 40 FDAB CC(=O)N[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C(C)C 7979916 GHZIHXZTTBFMBN-OAHLLOKOSA-N 369.487 1.863 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102610090 MFKPYASVZNUPKO-WCVJEAGWSA-N 358.394 1.673 0 40 FDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cc3nonc3C)nn2c1O 100139163 LFSZTZXPPHFOTP-OAHLLOKOSA-N 370.413 1.903 0 40 FDAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(Cl)c1 104346089 GVRJPRSERGEGMA-CQSZACIVSA-N 368.792 1.950 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)o1 108533489 VVTBUQGRXBSYHT-ZDUSSCGKSA-N 356.444 1.291 0 40 FDAB CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(S(C)(=O)=O)CC1 22079291 IOQQTIXXOXREDW-OAHLLOKOSA-N 370.515 1.301 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ncnc3[nH]ncc23)c1 67915862 HFTXCTVREKAYPC-AWEZNQCLSA-N 352.398 1.874 0 40 FDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)cc1F 52129773 HBZGWLRHGTXVOI-UHFFFAOYSA-N 373.432 1.871 0 40 FDAB Cn1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)n1 100145761 IHPPSNGBHMCKER-HOTGVXAUSA-N 365.437 1.968 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 34799549 KPQHXGMMDMSOKR-KBPBESRZSA-N 369.473 1.932 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 56060973 BHYMUHOSQQVQFQ-INIZCTEOSA-N 365.499 1.350 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)C)n2C 12520758 DPILYYZFHISPKZ-UHFFFAOYSA-N 366.487 1.625 0 40 FDAB Cc1nc(N2CCN(CC(=O)NC3CC3)CC2)c2c3c(sc2n1)CCC3 57392170 TXRSFCCSMCGGSL-UHFFFAOYSA-N 371.510 1.889 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1Br 44502252 RYHBNRLXBCLZGG-JTQLQIEISA-N 363.277 1.736 0 40 FDAB COc1ccc(OC)c(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 22930819 SMTQNTNYRGDNQP-UHFFFAOYSA-N 374.441 1.757 0 40 FDAB NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)nc2)c1 27343586 PMEUJRTUXXNRFE-UHFFFAOYSA-N 360.439 1.259 0 40 FDAB Cc1cc(C)cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12687828 KXEUBPMFEZTHOK-CQSZACIVSA-N 363.439 1.407 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CCCc3ccccc32)C1 58227378 CANCGOGGQKFYSQ-MRXNPFEDSA-N 365.499 1.227 0 40 FDAB COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1 3320526 BERCGIUUKRYMOM-UHFFFAOYSA-N 357.362 1.860 0 40 FDAB aggregator COC(=O)c1ncn(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 48275274 UDZBJSXRHPSHKB-UHFFFAOYSA-N 363.805 1.134 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 12794201 JDPFQBZNORZPSA-UHFFFAOYSA-N 369.487 1.289 0 40 FDAB O=C(CCn1ccc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48326199 PZAFIQYSWHONRO-SFHVURJKSA-N 355.438 1.881 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCC(=O)c1ccc(Cl)s1 16258427 LUGITNYKRQNJRO-UHFFFAOYSA-N 363.782 1.933 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)N3CCCC3)n2CC(N)=O)c1 14158666 RMLMRQYHXPVWEU-UHFFFAOYSA-N 359.455 1.453 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H]3CCOC3=O)CC2)cc1 6607152 STIXSRYANYSIJW-HNNXBMFYSA-N 367.423 1.254 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCOC12CN(C(=O)/C=C/c1cccs1)C2 306136028 PGXFOXGIOLZZAR-MUBLQREKSA-N 370.496 1.318 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cn1 7056595 FSDQAOXNQBBPGI-UHFFFAOYSA-N 351.384 1.858 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 8708848 COEWCBCJQYOJFS-CQSZACIVSA-N 352.456 1.580 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 23299349 XPXRRPXPVLORPI-UHFFFAOYSA-N 373.453 1.712 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccco3)C2=O)cc1 96222798 KVCSDLVJYYIJCT-HNNXBMFYSA-N 357.366 1.415 0 40 FDAB biogenic COCCN(CC(=O)N(C)C)S(=O)(=O)c1c(C)c(C)cc(C)c1C 71894780 VCVUCIOYCNPUBI-UHFFFAOYSA-N 356.488 1.646 0 40 FDAB COc1ccccc1OCCNC(=O)[C@H](c1ccccc1)n1cnnn1 72402229 DZKBHFWNMINUPX-KRWDZBQOSA-N 353.382 1.466 0 40 FDAB O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(c2cn[nH]c2)C1 84504743 UEAPKVYHCUYCFZ-NSHDSACASA-N 368.315 1.978 0 40 FDAB COc1cccc(Cn2c(NN)nc3cc(OC)c(OC)cc3c2=O)c1 408712701 JLZRIQQLVDCMGH-UHFFFAOYSA-N 356.382 1.756 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)c1 72374072 QBQGJFIIPBIONI-INIZCTEOSA-N 355.442 1.686 0 40 FDAB CCN1CCN(C(=O)Cn2cc(COc3ccc(OC)cc3)nn2)CC1 227167921 SKGXGTLJUSDJQT-UHFFFAOYSA-N 359.430 1.030 0 40 FDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCOCC1 45973281 ZPBAIGYMFJRBHS-HNNXBMFYSA-N 361.486 1.551 0 40 FDAB COc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)c(C)n2)cc1 223146431 YJZRXIAUHPFOHC-UHFFFAOYSA-N 356.426 1.523 0 40 FDAB CCn1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)n1 225760150 CLLHLKYYUYWRHI-UHFFFAOYSA-N 367.409 1.384 0 40 FDAB CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)N[C@@H]3C=CCCC3)C2)n1 578506138 LENJAVYHTNUDEJ-ZBFHGGJFSA-N 374.489 1.573 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049024 DIYNBQDYFPVVNA-UHFFFAOYSA-N 364.421 1.240 0 40 FDAB CC(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96243705 OAYHGUDSYYYALG-OAHLLOKOSA-N 360.458 1.378 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cnccn1)C2 96050227 PYUSATQZCKXDBC-IBGZPJMESA-N 351.410 1.040 0 40 FDAB O=C1NCCCN(Cc2cc(O)nc(C3CC3)n2)[C@@H]1Cc1ccccc1 580525095 LZCKEJZXBAPBKN-QGZVFWFLSA-N 352.438 1.993 0 40 FDAB Cc1ccsc1C(=O)N1CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]1C 253598421 KOJCTZBIHDCKAC-QWHCGFSZSA-N 360.501 1.473 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc2ccccc2n1 257199663 AAJBCQIUMAXZBL-BHIYHBOVSA-N 355.438 1.579 0 40 FDAB O=C(Cc1ccncc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257271681 MZIFVIQLRXSJAD-OAQYLSRUSA-N 351.450 1.646 0 40 FDAB CCCn1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)n1 257321979 WEDLXJDQSAROLP-DJIMGWMZSA-N 350.463 1.027 0 40 FDAB Cc1cccc(-n2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)nn2)c1 585082743 WQNOYRILSFNFBD-RHSMWYFYSA-N 355.442 1.999 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257330769 XPXCPCPUEWRWSF-SFHVURJKSA-N 355.442 1.895 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)c2cncnc2)CC[C@@H]1Oc1ccc(Cl)cc1 257344117 ZVUIVEQBYQLCDH-LRDDRELGSA-N 374.828 1.915 0 40 FDAB O=S(=O)(c1cccnc1)N1CCC(c2cc(O)n3nccc3n2)CC1 257322373 WFSNPXRCYXGEFH-UHFFFAOYSA-N 359.411 1.398 0 40 FDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257290254 QCEHEPZBGQBQJY-IRXDYDNUSA-N 353.426 1.917 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257239469 HPJPUOFKVGWTLU-CQSZACIVSA-N 369.425 1.297 0 40 FDAB Cc1noc(CN2CCCC[C@H](N=c3cnc4ccccc4[nH]3)C2=O)n1 643699794 DJJIXCNTYQMITC-HNNXBMFYSA-N 352.398 1.736 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(C)c(Br)c1 643941780 OJUXBIXDAJKWQA-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB C[C@H](c1ccncn1)N(C)C(=O)c1ccccc1N1CCC(=O)NC1=O 55369516 ISMOEYUSFVVTLS-GFCCVEGCSA-N 353.382 1.756 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c1 90678175 BVPBXIQPFSRADF-UHFFFAOYSA-N 361.423 1.911 0 40 FDAB CC[C@@H](C)[C@@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)n1cnnn1 1615155129 MZZDQYLHPUSAPI-CJNGLKHVSA-N 368.445 1.709 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35349289 FFQIKUBCTCLQFD-LIRRHRJNSA-N 367.449 1.531 0 40 FDAB biogenic Cc1noc(CC(=O)N2Cc3cn(C)nc3[C@@H](COc3cccnc3)C2)n1 585110954 HBNZBNLKIOIVHD-CQSZACIVSA-N 368.397 1.254 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc4c(c3)CCC=C4)C2)C1 685942290 MTZUWKBJSNDNFF-INIZCTEOSA-N 353.422 1.065 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 48248190 SNZJDWKDRYHRAT-LLVKDONJSA-N 366.377 1.693 0 40 FDAB Fc1ccc(N2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1 72348172 VHSSZTVZCLGGNH-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 982416 YFXABIHPOLZFPR-JMZICWNOSA-N 366.395 1.714 0 40 FDAB O=C(O)c1ccc(C(=O)[C@H]2C[C@H](C(=O)O)CC[C@@H]2S(=O)(=O)O)cc1 5734710 IGMCVAYPFLKIAR-WOPDTQHZSA-N 356.352 1.325 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nnc(-c2ccco2)o1 5754481 XKZJUFQWJBCVPX-UHFFFAOYSA-N 352.306 1.852 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 12507739 JZHZUEOAKFXEBW-UHFFFAOYSA-N 356.407 1.821 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 14401990 VGTQLKUNFWGHKB-UHFFFAOYSA-N 368.455 1.974 0 40 FDAB O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2nccs2)CC1 19293952 OPGYKNMFCCACIL-CYBMUJFWSA-N 374.441 1.984 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)C(=O)O1 19460961 GVSBCLGBISLDQH-OLZOCXBDSA-N 358.442 1.170 0 40 FDAB CCc1cc(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)on1 19708992 WHRUSKSSOQEJRN-UHFFFAOYSA-N 358.446 1.336 0 40 FDAB CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21 19746204 KGGVHAPBOOREDD-QGZVFWFLSA-N 374.466 1.595 0 40 FDAB Cn1cnn(CCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1=O 555065172 MNXNWDFZFSRMDX-ZDUSSCGKSA-N 371.466 1.988 0 40 FDAB CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 15360860 KYJQZVNJGKEMMR-UHFFFAOYSA-N 362.451 1.998 0 40 FDAB CN1CCO[C@@H](c2c(C(=O)N3CCNC(=O)C3)sc3ccccc23)C1 19696890 LQXSYPRTGFWTEL-CYBMUJFWSA-N 359.451 1.476 0 40 FDAB Cc1nnc(N2CC(NC(=O)c3ccc(N4CCOCC4)cc3)C2)s1 1888853906 TXDWCPZMJCYODN-UHFFFAOYSA-N 359.455 1.302 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)ncc1F 1888903882 MIWNLBWHWAFWMW-STQMWFEESA-N 367.388 1.175 0 40 FDAB c1cnc(N2CCCN(c3ccc4nnc(-c5ccncc5)n4n3)CC2)nc1 1889109008 OQIMSYMVWRRLQG-UHFFFAOYSA-N 373.424 1.693 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cn1 2037985057 WNBCLPBOYXBBDD-QAPCUYQASA-N 366.421 1.679 0 40 FDAB COc1cnc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)nc1 2056223555 RTUGYMMQZNEKFZ-GASCZTMLSA-N 370.457 1.203 0 40 FDAB COCCOC(=O)N[C@@H]1CO[C@]2(CCCN(Cc3cccc(O)c3)C2)C1 2056225964 GIQQUTCUUHASHU-QFBILLFUSA-N 364.442 1.888 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 1203088403 CEGRWIDBLVFNER-LJQANCHMSA-N 368.441 1.574 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@@H]3C2)c1C 1565555675 NARBEQSMWMTJDH-HZPDHXFCSA-N 364.453 1.896 0 40 FDAB CC(=O)N1CC[C@@]2(CN(Cc3cccnc3)CCN(C(=O)[C@@H]3C[C@H]3F)C2)C1 1565550814 INDGEVCWSSGZKJ-QWFCFKBJSA-N 374.460 1.322 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OC)c(C)c1 10256178 QHGQCXIVZBTDTB-INIZCTEOSA-N 360.435 1.870 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1 10512319 SXYYBHJJYISTIF-UHFFFAOYSA-N 367.448 1.893 0 40 FDAB CC(C)C(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)NCc2ccco2)CC1 2055746035 CPIPZWXNAQPULP-UHFFFAOYSA-N 373.457 1.181 0 40 FDAB O=C(C1=CCCC1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055708143 PMJYCNYZPINJNT-UHFFFAOYSA-N 370.375 1.990 0 40 FDAB CCCCOC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22798201 JIZHIFMIUIXVRB-KRWDZBQOSA-N 350.459 1.711 0 40 FDAB COCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767920 ONOFKZAIHNBQFM-UHFFFAOYSA-N 367.409 1.222 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4cccnc4)cc1c32 101078878 FVBCFWTVQYXYRL-LBPRGKRZSA-N 364.405 1.733 0 40 FDAB CCCCOC(=O)c1ccc(NC2=C([N+](=O)[O-])CS(=O)(=O)C2)cc1 101071044 HDMNDDKPEBEJGB-UHFFFAOYSA-N 354.384 1.972 0 40 FDAB O=S(=O)(NCc1cccnc1-n1cncn1)c1ccc2c(c1)CCC2 40105123 GEPJCVYYSXAUKI-UHFFFAOYSA-N 355.423 1.630 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCc2csc(C)n2)c1=O 29550201 BWNFWPSFJTUFPZ-UHFFFAOYSA-N 372.450 1.307 0 40 FDAB Cc1ccc2c(c1)c1nnc(SCC(=O)N3CCOCC3)nc1n2C 1366102 LNPFNTXYCJNGDB-UHFFFAOYSA-N 357.439 1.776 0 40 FDAB O=S(=O)(N1CCCC1)N1CCN(c2nc3ccccc3s2)CC1 32779316 XSVHJKWJONWEHZ-UHFFFAOYSA-N 352.485 1.759 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 102259726 YYURUUXFNFKDEK-NXEZZACHSA-N 363.395 1.210 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)c1cccn1C 7778478 SBEYWRQSWFXSPC-UHFFFAOYSA-N 356.411 1.358 0 40 FDAB COC1=CC=C[C@@]23[C@H]4[C@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@@]12[C@@H]3[C@@H]65 104283613 BOWYCMTYIOCWHB-ZHMFBTDNSA-N 359.385 1.489 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCn2nnc3ccccc3c2=O)on1 21916093 ONNIZBJBSPZCJX-LLVKDONJSA-N 371.353 1.048 0 40 FDAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)CC2 37201843 WDUKNWGWVIIOKH-CHWSQXEVSA-N 370.471 1.416 0 40 FDAB CCN(CCc1ccccn1)C(=O)C1=NN(c2ccccc2)C(=O)CN1 70010226 WGQDPSMPFWJDKI-UHFFFAOYSA-N 351.410 1.423 0 40 FDAB CCCn1nc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1=O 22321746 VZXMPVZWWXCEFW-UHFFFAOYSA-N 359.411 1.224 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@@H](C)O1 41933554 MEAGNOFTLUXICF-ZXTQRBJTSA-N 369.531 1.444 0 40 FDAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1 783798 KXCMVJPNGMCIEO-FQEVSTJZSA-N 352.390 1.542 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9985693 ZAASXZLHMMFRMZ-IAQYHMDHSA-N 365.455 1.167 0 40 FDAB Cc1cc(N2CCC[C@H](NC(=O)N(C)Cc3cccnc3)C2=O)n(C)n1 173567934 YUXBKFNWQXZKGY-HNNXBMFYSA-N 356.430 1.461 0 40 FDAB C[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCNC1=O 24207122 UKRLEPJLNWZGGC-SECBINFHSA-N 364.383 1.214 0 40 FDAB Cn1nccc1CNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 24650569 QYBSBBVNKUQHPU-UHFFFAOYSA-N 350.304 1.950 0 40 FDAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102351744 KWQHSPZZIPROAQ-FQUUOJAGSA-N 358.329 1.058 0 40 FDAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 1432952 WAHZIZVYRSZJIZ-FQEVSTJZSA-N 369.373 1.675 0 40 FDAB COC(=O)[C@]1(O)[C@@H](C(=O)c2ccco2)[C@H](c2ccccc2)NC(=S)N1C 103374956 CLJYQTGOAUQHAM-QWQRMKEZSA-N 374.418 1.501 0 40 FDAB O=C(NCC(=O)N1CCN(Cc2ccccn2)CC1)NC1CCCCC1 56281094 AGSVNMVVEPKXKZ-UHFFFAOYSA-N 359.474 1.358 0 40 FDAB CN(C)C(=O)CN1CCC2(CC1)C(=O)N(C[C@@H]1CCOC1)c1ccccc12 104788176 HAQBGILGIKUZRP-INIZCTEOSA-N 371.481 1.492 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108535513 WLNUDPGNUAGJSE-CQSZACIVSA-N 354.414 1.533 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 57279482 AREJDADIBPSUDS-UHFFFAOYSA-N 365.459 1.980 0 40 FDAB NC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc(F)cc2F)cc1 58156641 UGDCHZYYWFCNBI-UHFFFAOYSA-N 363.320 1.197 0 40 FDAB COc1cc(OC)c(CNC(=O)NCC(=O)N2CCCC2)c(OC)c1 58169139 AZGQQXDSZVFDIM-UHFFFAOYSA-N 351.403 1.134 0 40 FDAB CC(=O)N1CCC[C@@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 63527717 XTOYZVGASVZHGJ-QGZVFWFLSA-N 352.456 1.230 0 40 FDAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](C(=O)N2CCOCC2)C1 58202647 QNSQJLSMQJAEFW-KRWDZBQOSA-N 355.438 1.739 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccnc1-n1cncn1 58209659 UFAYYXDRFBSDLJ-UHFFFAOYSA-N 363.356 1.917 0 40 FDAB COC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 8327656 UTSFLYUYGQAIOH-ZDUSSCGKSA-N 368.455 1.543 0 40 FDAB Cn1nnnc1SCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 48262628 AIFOLPLUBHRACT-UHFFFAOYSA-N 374.470 1.113 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NC[C@H]2CCN(c3ccccc3)C2)c(=O)[nH]1 62281635 UJKUFJNENWXNBU-OAHLLOKOSA-N 369.421 1.483 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1 12906864 FLIBGIZPMLMEHG-UHFFFAOYSA-N 360.435 1.638 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 17073306 WKVSUBSULOUWMU-KBPBESRZSA-N 354.428 1.766 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13007103 QUBZWLZDMXUHJW-NWDGAFQWSA-N 368.411 1.248 0 40 FDAB C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 4249189 YDRVLAFQONFOIM-CYBMUJFWSA-N 369.425 1.067 0 40 FDAB Cc1cc(=O)[nH]c(SCC(=O)NCc2ccc3c(c2)OCCCO3)n1 64987099 IJOHLAUEMWXSHD-UHFFFAOYSA-N 361.423 1.648 0 40 FDAB O=C(Cn1c(NCCO)nc2ccccc21)NCc1ccc2c(c1)OCO2 5185220 YRDHMAXKFXBKGM-UHFFFAOYSA-N 368.393 1.486 0 40 FDAB C[S@@](=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 65565540 CQLJJWZGEDKXII-SANMLTNESA-N 371.462 1.854 0 40 FDAB O=C(CSc1nnnn1-c1cccc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 14113119 QTUWQPNEUWZQFA-UHFFFAOYSA-N 370.369 1.946 0 40 FDAB Cn1cc(Cl)c(C(=O)NC(=S)N2CCN(c3ccccn3)CC2)n1 18192708 XSMMTDYQONZCPI-UHFFFAOYSA-N 364.862 1.305 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)cc1Cl 5750788 MFPDYLPMDIZNMP-GFCCVEGCSA-N 371.821 1.913 0 40 FDAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NC(=O)NCC(F)(F)F 7121416 UHBCJNUYQHAYSJ-UHFFFAOYSA-N 374.344 1.335 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 15842674 UAUYTQWNYVMPJW-ZDUSSCGKSA-N 358.419 1.929 0 40 FDAB Cc1nc2nc(C(=O)N3CCOCC3)nn2c(O)c1Cc1ccccc1 18221999 GWNRZXOGSPPUEW-UHFFFAOYSA-N 353.382 1.202 0 40 FDAB C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)NCc1ccccc1 18387814 ASAYJAPOKDJISX-JTQLQIEISA-N 368.436 1.257 0 40 FDAB CCCn1c(N)c(N(C)CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O 7737464 XXEBTPVSYSHSMD-UHFFFAOYSA-N 352.822 1.697 0 40 FDAB COCCCN1CCCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 81085275 ZXINCEOIADNHBJ-MRXNPFEDSA-N 351.495 1.835 0 40 FDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1CCCCCN21 9242500 CUDNMHDNCXSGME-OAHLLOKOSA-N 370.409 1.303 0 40 FDAB biogenic Cc1ccc([C@@H](N[C@@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 97019959 BFIQOWGZHOQVOU-QZTJIDSGSA-N 358.463 1.966 0 40 FDAB Cc1cc(CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)on1 95467494 KDODHZZBSQQTDM-UHFFFAOYSA-N 350.444 1.135 0 40 FDAB Cc1cccc(COC[C@H]2CN(C(=O)c3ccn(C)n3)Cc3cncn32)n1 306136210 PMUAMGOSZNEBPP-QGZVFWFLSA-N 366.425 1.734 0 40 FDAB CCN1CCC[C@@H](CN(C)C[C@@H](C)CS(C)(=O)=O)[C@@H]1c1cnn(C)c1 504285833 FNEFESYGJOILSC-SOLBZPMBSA-N 370.563 1.806 0 40 FDAB CN1CCN(c2ncccc2CNC(=O)[C@H]2CCc3cccc(O)c32)CC1 553393629 XUUADKFOSYQWJY-KRWDZBQOSA-N 366.465 1.885 0 40 FDAB Cc1ccnc(Nc2cccc(C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)n1 528532797 BUBHNYMKNBUFAT-AWEZNQCLSA-N 361.427 1.032 0 40 FDAB COCCNC(=O)[C@H](OC(=O)c1cc2occc2n1C)c1cccnc1 35315775 BREAKUHCYHNYDB-MRXNPFEDSA-N 357.366 1.827 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 72374377 NXGNGVNXCRKXMG-INIZCTEOSA-N 368.441 1.315 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)c1cccs1 77264195 WOZISTNEHRZBOD-BZPMIXESSA-N 360.426 1.774 0 40 FDAB biogenic,in-vitro Cc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38848793 CXVDNRXTHAXNDP-KRWDZBQOSA-N 360.435 1.838 0 40 FDAB COc1ccccc1CC(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238828511 FIKTYNUMUXQIPI-HZPDHXFCSA-N 354.406 1.400 0 40 FDAB Cc1nccn1[C@H](C)CC(=O)N1CCC(CC(=O)N2CCOCC2)CC1 72392078 ANRHPFLANUJLLL-OAHLLOKOSA-N 362.474 1.630 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@]12CCOC2 565459048 CROOJQDAHONTDJ-WFASDCNBSA-N 361.366 1.218 0 40 FDAB CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ncn[nH]2)cc1 225963796 MVZUKGDCIOAWJP-UHFFFAOYSA-N 355.445 1.088 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386807 DWZNUPXFTRNFII-GFCCVEGCSA-N 357.370 1.360 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225533962 YSRUQLBRNIXXGJ-CQSZACIVSA-N 371.478 1.294 0 40 FDAB COCCc1noc(CC2CCN(c3nc(O)c4cnn(C)c4n3)CC2)n1 528115796 COPWBIGONWZQOH-UHFFFAOYSA-N 373.417 1.100 0 40 FDAB O=C(O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 85863661 NYSPQRRENZKGJJ-XUWXXGDYSA-N 367.405 1.803 0 40 FDAB biogenic COc1ccc(-c2noc(C(=O)N3CCN(C(C)=O)CC3)c2[C@H](C)O)cc1 225428705 SYGKMJGIJAWYEV-LBPRGKRZSA-N 373.409 1.708 0 40 FDAB biogenic,in-vitro COc1cc(OC)cc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)c1 48234625 DBWYBBZXRWWMMP-SFHVURJKSA-N 372.425 1.265 0 40 FDAB CC1=C[C@@]2(Nc3cc(C)cc(Br)c3O2)C(C(N)=O)=C(N)O1 40545611 OPLQQAQDTRYZKU-AWEZNQCLSA-N 352.188 1.848 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCCn3nnc(Cn4cccn4)c3C2)c1 96084723 CBYPVADLPPNEJH-UHFFFAOYSA-N 372.454 1.426 0 40 FDAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3ccncc3)ccc2NC1=O 96182282 KDRUYUKOTNQNOZ-GOSISDBHSA-N 355.350 1.987 0 40 FDAB CC1=C/C(=C2/C(=O)N=C(O)NC2=O)C=C(C(F)(F)F)N1CCCN(C)C 96305804 XXNFPRQKYOQMDI-UHFFFAOYSA-N 372.347 1.471 0 40 FDAB COCCN1[C@H]2CCN(C(C)=O)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145785 SRYZMZJXUPFFJV-GJZGRUSLSA-N 368.455 1.096 0 40 FDAB O=C1CCc2cc(C(=O)N3CCC[C@@H](n4cc(C(=O)O)nn4)C3)ccc2N1 584781923 SCQWAMCUGGKGMQ-CYBMUJFWSA-N 369.381 1.338 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cc(C)on3)CC2)OC[C@]1(C)O 257337527 YTEGAVHHWUHHOC-IRXDYDNUSA-N 351.447 1.336 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)[C@@H]3COc4ccccc4O3)CC2)n1 253537450 ZNOHRZHVVHRBRE-INIZCTEOSA-N 370.409 1.416 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CCO1 681943762 ONEKCDNSUOUFQO-OAHLLOKOSA-N 368.817 1.043 0 40 FDAB NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CC(C1CCC1)C1CCC1 606445808 YNZFOVTZNHOCLP-HNNXBMFYSA-N 357.520 1.767 0 40 FDAB CCOc1cncc(CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)c1 1775961201 GLSSPLBYJNNQIR-UHFFFAOYSA-N 371.441 1.341 0 40 FDAB Cn1cc(/C=C/C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1 585287755 DZMAWRRNOVBJIJ-RHGXJLFNSA-N 353.422 1.579 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(CC(=O)NCc2ccco2)CC1 51100318 XXRUGPLIVFGLNW-UHFFFAOYSA-N 362.455 1.555 0 40 FDAB COc1ccnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 500277672 YAKKAUJXCVFSDE-UHFFFAOYSA-N 352.442 1.968 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc2cnccc12 583306184 ZDFASOLYMUNBOW-BXUZGUMPSA-N 350.396 1.393 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)cc1C 548204884 TYQJHORLQMBLSJ-OLZOCXBDSA-N 357.428 1.470 0 40 FDAB O=C1CN2CCN(C(=O)c3nccs3)C[C@@H]2COc2ccccc2N1 1772594805 YHYMEVZSTLRSRH-GFCCVEGCSA-N 358.423 1.301 0 40 FDAB O=C1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2N1 5291705 URFXLPGJZPUOBK-UHFFFAOYSA-N 356.382 1.226 0 40 FDAB C[C@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 5920795 XYPPDQHBNJURHU-IJMQKCTASA-N 356.503 1.855 0 40 FDAB biogenic CC(C)NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085974 QIZZIWSJXBYETA-DJJJIMSYSA-N 358.442 1.464 0 40 FDAB CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 12799884 ADQLANKZXQBRSP-UHFFFAOYSA-N 368.455 1.527 0 40 FDAB CCCNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 16639787 IVEHPCAUIYZCSX-UHFFFAOYSA-N 352.460 1.553 0 40 FDAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)no1 19553682 KJDFLASVXDMTCB-AWEZNQCLSA-N 361.446 1.472 0 40 FDAB COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19554087 YPIDFMUUGGIZMH-OAHLLOKOSA-N 352.438 1.690 0 40 FDAB CN1CCc2nc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 19590655 XJGSVLFMKJKGJR-AWEZNQCLSA-N 358.467 1.643 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)CCc1ccc(C)c(OC)c1 643551309 ZBRLRTOJHYXPCE-MDZRGWNJSA-N 351.443 1.153 0 40 FDAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)C3CC3)CC2)cc1 23134942 RLJJKTXTKLHWCD-UHFFFAOYSA-N 356.430 1.115 0 40 FDAB Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1 1888866910 XQNDSDJBSNFQNZ-UHFFFAOYSA-N 366.425 1.729 0 40 FDAB CCc1nnsc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24777190 CJUHWTQDTPUOHB-UHFFFAOYSA-N 370.442 1.039 0 40 FDAB CC(C)N1C[C@]2(CCN(Cc3ccc4c(c3)OCCO4)C2)COCC1=O 2037983963 LVXULFIXMQGKAT-HXUWFJFHSA-N 360.454 1.917 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 1565543086 UKAIYVYENHHTGV-UZLBHIALSA-N 369.421 1.758 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4csnn4)C[C@@H]32)CC1 1565547582 LOCHUKXZHWKESA-TZMCWYRMSA-N 370.482 1.976 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)c1=O 1565556030 UXDJFIDQROZWGF-ZBFHGGJFSA-N 365.437 1.187 0 40 FDAB COc1cccc(OCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1 10250870 OEDNMGUJUHKRSX-UHFFFAOYSA-N 371.397 1.506 0 40 FDAB Cc1ccccc1OCC(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250876 SYVLBTZJRLBZHW-UHFFFAOYSA-N 355.398 1.806 0 40 FDAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@@H]2c1ccncc1 19169339 OZKQHYGTDUWJIS-BBWFWOEESA-N 352.369 1.756 0 40 FDAB NC(=O)c1ccc(NC(=O)c2cnc(O)n(Cc3ccccc3)c2=O)cc1 2086875522 ULTUTYCHMDJKIZ-UHFFFAOYSA-N 364.361 1.348 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cn1 575610495 OFDJEPFXECOFQR-GFCCVEGCSA-N 353.425 1.754 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)cc1 85436530 KJIYHHHILCLTIL-INIZCTEOSA-N 356.378 1.652 0 40 FDAB CC(C)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)n1c(=O)[nH]c2ccccc2c1=O 2130731 GMKMKRIDQHOUPB-CABCVRRESA-N 373.409 1.353 0 40 FDAB biogenic C[C@@H](NC(N)=O)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 46580631 BGBXZPIURKUFAU-CQSZACIVSA-N 352.438 1.922 0 40 FDAB O=C(CN1C(=O)C(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1F 32727480 QJZUWKNNYBFOHD-UHFFFAOYSA-N 359.288 1.899 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 41165909 NBJNEFWUPZFONI-ZZFFKQLHSA-N 354.516 1.991 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 7323335 FFUMMBLYOYURKN-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CC1 32829048 BBRADJPIWVDLAB-LLVKDONJSA-N 352.412 1.050 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 52566943 YWFIJTDUWOLTEG-NSHDSACASA-N 370.365 1.088 0 40 FDAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN(C)CCc1ccccn1 8636208 CBLUHDCAHAUMBT-CMKODMSKSA-N 373.545 1.974 0 40 FDAB biogenic,in-vitro C[C@H](OCc1ccccc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 41408067 JBZFZUPDCHZJJO-QFBILLFUSA-N 364.511 1.916 0 40 FDAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1cccnc1 22471510 ZWEOJTNEKGCZJN-UHFFFAOYSA-N 365.393 1.210 0 40 FDAB Cc1ccc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 22847016 QUWZNHHNWZUBIE-HNNXBMFYSA-N 368.524 1.418 0 40 FDAB COCCNC(=O)/C(=C\c1ccc(OC)c(OC)c1)n1ccccc1=O 23157178 ZAECOAOUUAJYGD-NTCAYCPXSA-N 358.394 1.626 0 40 FDAB Cc1cc(C)n(CCCNC(=O)c2sc3ncn(C)c(=O)c3c2C)n1 23246643 QWYPVSPDNCGJEU-UHFFFAOYSA-N 359.455 1.937 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(=O)[nH]n2)c1 12599189 ZARCULWVDRDVKF-UHFFFAOYSA-N 364.427 1.361 0 40 FDAB COc1ccc(CCNC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 57753291 RVMRHMQCGCOOMB-LJQANCHMSA-N 367.449 1.266 0 40 FDAB CCOc1ccccc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 53670832 RCRDSTYSTKBKHI-UHFFFAOYSA-N 369.464 1.967 0 40 FDAB Nc1nnc2nc(CC(=O)c3ccccc3)/c(=C\C(=O)c3ccccc3)n12 104247277 PLXMGOVXSKQRMT-FOWTUZBSSA-N 357.373 1.514 0 40 FDAB NC(=O)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1 27064945 WGRNZILWRGTUHB-UHFFFAOYSA-N 373.840 1.888 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(C)CC3)cc2C[C@H]1C 20449189 YDTUZYFQLIAGJY-CYBMUJFWSA-N 351.472 1.175 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 28653143 MDPWGKIYCLFYFD-JQWIXIFHSA-N 351.428 1.836 0 40 FDAB O=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCC1=O 58328702 IIQHLRJYEVTGMX-UHFFFAOYSA-N 358.467 1.800 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NC(=O)NCc1ccco1 36379779 OHCDFZMCCJMYTE-UHFFFAOYSA-N 358.398 1.133 0 40 FDAB O=C(NCc1nnc2n1CCCCC2)c1cn(Cc2ccccc2)nn1 48324449 PPGCYKBRFHKOIB-UHFFFAOYSA-N 351.414 1.574 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccnc1 49022823 XVQNSKHVFABAHZ-ZDUSSCGKSA-N 368.393 1.850 0 40 FDAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN[C@H](C(N)=O)C3)c12 14158515 OCTIZJYAOPEDNF-ZDUSSCGKSA-N 353.451 1.930 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc21 14112063 ODBDACAQOWNKQU-UHFFFAOYSA-N 364.405 1.871 0 40 FDAB CCc1ccc(OC[C@H](O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 14202075 UUCNINGIJJPKOI-IEBWSBKVSA-N 362.470 1.312 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 17304434 IJUMKTKUYCBQBD-UHFFFAOYSA-N 358.423 1.907 0 40 FDAB CC(C)CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 4976989 QQOWLBCKGIXLBM-UHFFFAOYSA-N 363.277 1.987 0 40 FDAB COc1ccc(CNC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)cc1 9167076 PRBKDBUDOLIYND-UHFFFAOYSA-N 368.393 1.480 0 40 FDAB O=C(C1CC1)N1CCC(NS(=O)(=O)c2cccc3nsnc23)CC1 19079375 MQGRZANRQWPFQW-UHFFFAOYSA-N 366.468 1.371 0 40 FDAB C[C@@]1(NC(=O)CSc2ccc(C(F)(F)F)cn2)CCS(=O)(=O)C1 9367657 HZOIQMWBUCHYKA-GFCCVEGCSA-N 368.402 1.886 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9305309 RLZMSNGONOIXLP-UHFFFAOYSA-N 373.434 1.599 0 40 FDAB CCCn1nnnc1COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 27329666 MSQYIJXIHRNQKG-JTQLQIEISA-N 351.794 1.598 0 40 FDAB CCc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)s1 79110979 QLHLOJGDTCUVHX-LBPRGKRZSA-N 365.480 1.899 0 40 FDAB CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)Cc1ccc2c(c1)OCCO2 97143736 QMYKADRCJVRIIR-GOSISDBHSA-N 351.399 1.209 0 40 FDAB CCn1c(SCC(=O)O)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 72328121 XVBYKARQVLIPER-SNVBAGLBSA-N 364.427 1.974 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1C[C@H]1C1CC1 84445293 ZPDOTAHXYXJLJZ-UONOGXRCSA-N 370.496 1.431 0 40 FDAB C#CCN(CC#CC)S(=O)(=O)c1cc(OC)c(C(=O)O)cc1Cl 95940696 WWLLEIVMQBMJMA-UHFFFAOYSA-N 355.799 1.694 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 95992631 KQVGMGOIVUCDSH-HNNXBMFYSA-N 367.471 1.697 0 40 FDAB CCCCn1c(CN2CCC(O)CC2)nc2cc(S(N)(=O)=O)ccc21 21581842 SPVRCIKIUZYZJU-UHFFFAOYSA-N 366.487 1.441 0 40 FDAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)Nc1nc[nH]n1 409129136 FMLQBDLZRXLNBD-UHFFFAOYSA-N 357.355 1.712 0 40 FDAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC 408701366 WTMHMTOGCPAVMI-CYBMUJFWSA-N 370.471 1.635 0 40 FDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408598334 ZEESLUAWVILVHZ-CYBMUJFWSA-N 360.435 1.951 0 40 FDAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1 408593881 QKVGVMSEGMBZKI-CYBMUJFWSA-N 358.460 1.295 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21 30946984 WZARWFAKPFRDLO-KRWDZBQOSA-N 358.419 1.803 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC2(CC1)OCCS2 70637374 ZGFXVONCHRSMKI-UHFFFAOYSA-N 357.453 1.702 0 40 FDAB COc1c(C)cccc1C(=O)N1CCc2nnc([C@@H]3CCCNC3)n2CC1 72370894 KTMNAAXYVGDKHS-OAHLLOKOSA-N 369.469 1.761 0 40 FDAB CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O 85874801 VUJBBBMEBUPHEF-AWEZNQCLSA-N 358.423 1.883 0 40 FDAB biogenic O=S1(=O)N[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2Oc2ccccc21 514289845 PFWIRMXMVDREFP-OCCSQVGLSA-N 358.410 1.988 0 40 FDAB biogenic,in-vitro O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2cnccn2)C1 225792383 IYKKIRMOWAZGLE-CQSZACIVSA-N 365.393 1.257 0 40 FDAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc2c(c1)OCCO2 224278458 OQMXFTKZRGKZGZ-UHFFFAOYSA-N 362.411 1.649 0 40 FDAB Cn1cc(-c2cnc3n2CCC32CCN(S(=O)(=O)C3CC3)CC2)cn1 96243522 BFJIFDXFADRFBS-UHFFFAOYSA-N 361.471 1.513 0 40 FDAB Cc1ncoc1C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CCN(C)CC1 330013356 MAUZQJMPSIPPFL-KRWDZBQOSA-N 368.437 1.719 0 40 FDAB CC(C)C(=O)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251935 KFUAXTXBCOIEOR-UONOGXRCSA-N 364.471 1.177 0 40 FDAB O=C1C[C@]2(CCN(c3nncs3)C2)CN1c1ccc2c(c1)OCCO2 96239077 UIMLHFMXMJBOJI-KRWDZBQOSA-N 358.423 1.943 0 40 FDAB CCN(CC)C[C@H]1CC[C@]2(COCCN(C(=O)c3cc(C)on3)C2)O1 96160247 CPIWFSLLUZZWPG-QAPCUYQASA-N 351.447 1.715 0 40 FDAB COc1ccc(Cn2nnc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2C)cc1 1594099429 CKHCTKUDMFLUMO-KGLIPLIRSA-N 358.398 1.627 0 40 FDAB O=C([C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]1O2)N1CCCC1 96100411 HYYJJBDCRCGQBU-VNQPRFMTSA-N 350.440 1.087 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)o1 96219761 WZJHWJFFKXTQIH-AWEZNQCLSA-N 356.444 1.149 0 40 FDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cnn(C)c1N 583622940 IGHMRIJUJSCWNO-RYUDHWBXSA-N 366.466 1.452 0 40 FDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 247944049 AQBYKDNBASNPDQ-AWEZNQCLSA-N 364.467 1.580 0 40 FDAB CCc1cc(NC(=O)N2CCN(CCn3cccn3)C[C@@H]2CC)n(C)n1 605931505 OYFIYVSUACAAKN-INIZCTEOSA-N 359.478 1.807 0 40 FDAB CCn1cc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)cn1 257256086 KKAUFEVLMGGBEN-UHFFFAOYSA-N 364.475 1.346 0 40 FDAB O=C(c1cc(-c2ccccc2)no1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257217748 DAKNCYHJXTVLBB-ROUUACIJSA-N 371.437 1.639 0 40 FDAB C[C@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C[C@H]1n1ccnc1 268361149 HCZAONMFSQOTMU-XJKSGUPXSA-N 367.409 1.408 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@H]2O)cn1 625618843 ALIHFRUCHXWGST-HZPDHXFCSA-N 355.398 1.577 0 40 FDAB CC(C)OCc1nc([C@H](C)NC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)no1 626764487 RCPUTSXRCAQHCZ-SDDRHHMPSA-N 354.407 1.808 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cccc(CN2CCCC2)c1 644060037 KKJSOLKNEZUETH-FQEVSTJZSA-N 359.470 1.650 0 40 FDAB CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCc1ccc(F)cc1 656940546 MZLNASKMTSBLTE-KURKYZTESA-N 370.490 1.882 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)CCO1 681943761 ONEKCDNSUOUFQO-HNNXBMFYSA-N 368.817 1.043 0 40 FDAB O=C1CCCc2nc(O)c(C(=O)N3CCNC(=O)[C@H]3c3cccs3)cc21 608194827 CZYCBOODEZIPGR-OAHLLOKOSA-N 371.418 1.681 0 40 FDAB Cc1nc(C)c(CN2C[C@@H](C(=O)N3CCOCC3)[C@H](c3cn(C)cn3)C2)o1 1614995953 RIRNPBYGGNNURQ-HZPDHXFCSA-N 373.457 1.099 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@H](COc2cccnc2)C1 575404265 LEJGAMYQPYHXAD-HNNXBMFYSA-N 371.422 1.498 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585289395 IYJLMCHIAXAFCT-BDOUJZDASA-N 370.453 1.922 0 40 FDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2c[nH]nc2C(C)(C)C)CCO1 585276800 JGCWLUDZNPQMBC-SFHVURJKSA-N 352.479 1.403 0 40 FDAB O=C([C@@H]1CCOC1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111428 UBUYKBIAWDNUCX-OAHLLOKOSA-N 355.442 1.578 0 40 FDAB CC[C@](C)(CNC(=O)Nc1cccc(-n2nnnc2C)c1)N1CCOCC1 45687334 BYAGADRSURLMSG-GOSISDBHSA-N 373.461 1.593 0 40 FDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1C 51135760 GPRKARDYRUYCHR-CYBMUJFWSA-N 354.428 1.071 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(Br)c2)C1 58186446 NYBMHXATSRYSDR-MFKMUULPSA-N 370.247 1.667 0 40 FDAB CC(C)CN1[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2OCCS1(=O)=O 1534645924 UZVBIUGSUPSHSK-CABCVRRESA-N 366.474 1.935 0 40 FDAB C[C@H](Cn1nnc2ccccc21)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12141893 IHXXZUFQNUFEEG-GFCCVEGCSA-N 362.393 1.415 0 40 FDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 12142943 XXXVKJFYOUZUHD-MRXNPFEDSA-N 360.458 1.507 0 40 FDAB CCOC(=O)[C@H](N)CSCCCCSC[C@H](N)C(=O)OCC 17300010 RITZJZRVOBCNDH-TXEJJXNPSA-N 352.522 1.014 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2nccnc21 19021462 ATUIEEZNHVYFKR-HNNXBMFYSA-N 370.457 1.469 0 40 FDAB O=C(Cn1c([C@H]2CCCO2)cc2cccnc21)N[C@H]1CCS(=O)(=O)C1 19347096 MYRJAPWVIREVAM-DZGCQCFKSA-N 363.439 1.191 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(CC(=O)Nc3nccs3)CC2)cn1 19749191 TYUNVVWOXJWVRA-ZDUSSCGKSA-N 374.470 1.465 0 40 FDAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2nc[nH]n2)CC1 101372556 SMOPPTIEMCEPCN-BETUJISGSA-N 352.398 1.960 0 40 FDAB CN1CCO[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 104793569 FMVVXYRCNNVOIX-INIZCTEOSA-N 366.531 1.590 0 40 FDAB Cc1noc([C@H]2CN(S(=O)(=O)CC3CC(F)(F)C3)C[C@@H](C)O2)n1 625477692 QDONEDAAQQVFRF-LDYMZIIASA-N 351.375 1.515 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)C1 4941030 ZUALIPYXRLLCAY-GFCCVEGCSA-N 354.428 1.207 0 40 FDAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1)C1CC1 19400388 GFDWALOEZFLYIO-WMLDXEAASA-N 353.426 1.924 0 40 FDAB C[C@H]1CN(C(=O)COc2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 13147833 FWCOCRYJCVZLFT-OKILXGFUSA-N 367.409 1.830 0 40 FDAB O=C(c1cn[nH]c1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888843537 PEACLJCIYJXNKA-GHMZBOCLSA-N 352.320 1.427 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888876476 WVNSFOLXGXPFMG-YEWWUXTCSA-N 364.421 1.985 0 40 FDAB Cc1cc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n2ncnc2n1 1888890488 HVXADBHGUBVWMG-GJZGRUSLSA-N 362.393 1.054 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(C(=O)Cn4cccn4)CC3)nc2)cn1 1889211958 PEIKSMOOEFUSRS-UHFFFAOYSA-N 367.413 1.144 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]1 31225263 AZJCWMBEVVIWGL-OAHLLOKOSA-N 368.437 1.807 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)cn1 2056224054 PPWATGGHVBOVKK-IYBDPMFKSA-N 353.426 1.869 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)CC1 1565549303 UJDWNSVIQKQDMX-AFNJWWOFSA-N 362.474 1.739 0 40 FDAB CN(C(=O)Cc1ccc(F)cc1F)C1CN(c2ccc3nncn3n2)C1 1565520771 NZXQYDNNYWFVJO-UHFFFAOYSA-N 358.352 1.292 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccncc4)nc32)cc1C 5143587 BVCFVOQAVIXOTO-UHFFFAOYSA-N 360.377 1.887 0 40 FDAB CNC(=O)c1csc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1 8874254 XFPBZPJARPXUBA-UHFFFAOYSA-N 358.379 1.408 0 40 FDAB NC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccccc3F)CC2)cc1 10328018 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373.291 1.070 0 40 FDAB CCOc1ccc2nc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@@H]43)sc2c1 32831683 NAYSQHNDRSRZJC-CABZTGNLSA-N 352.437 1.845 0 40 FDAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1C(N)=O 6954717 NCZKSYQGJACXFK-UHFFFAOYSA-N 359.407 1.930 0 40 FDAB O=C(NCCNc1cnccn1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 46406531 HGCHFHXJLVEVQH-HNNXBMFYSA-N 368.441 1.949 0 40 FDAB CCC[C@H](c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1 57670011 UQCDKHBQAIXSND-GOSISDBHSA-N 374.489 1.992 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 21965583 WOYWSSPTERQERI-QZTJIDSGSA-N 367.449 1.595 0 40 FDAB COc1ccc([C@@H](O)CNC(=O)NCCc2nnc3n2CCCCC3)cc1 41449970 JQQIILNGOITGRN-INIZCTEOSA-N 373.457 1.588 0 40 FDAB Cc1cccn2c(=O)c3cc(C(=O)N4CCC(C(N)=O)CC4)sc3nc12 2722990 KPBWWAIGCAEDPV-UHFFFAOYSA-N 370.434 1.555 0 40 FDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1cccc(F)c1 2787464 WOZWBXINCJVZTD-CVEARBPZSA-N 367.340 1.758 0 40 FDAB COC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 16276928 LAYVQWUKWZUSTM-GFCCVEGCSA-N 355.412 1.192 0 40 FDAB C[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9985698 ZAASXZLHMMFRMZ-XHDPSFHLSA-N 365.455 1.167 0 40 FDAB CN(C)CCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180252 ZBWNBYKUNFBPOB-KGZPDETFSA-N 357.454 1.619 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 2925990 LZVBLUCXHLQTJO-UHFFFAOYSA-N 373.390 1.965 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCNC(=O)C3)CCCC2)cc1C 23178031 LLDPYFXURHEBCS-UHFFFAOYSA-N 364.467 1.348 0 40 FDAB Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1F 24461895 GJALTJQGYCOPEY-UHFFFAOYSA-N 350.415 1.984 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1 24793011 AVLBTIFVLGUNPP-UHFFFAOYSA-N 368.412 1.972 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)NC(=O)NC)c2ccccc21 106171043 DCZSFMUPCDHQBA-GZBFAFLISA-N 360.458 1.739 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccnc1-n1cncn1 22834966 JWAKNDKNHSJODU-UHFFFAOYSA-N 363.333 1.115 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(F)c1 58419685 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Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)c1 17299390 RGQRBFFCCKDGDL-UHFFFAOYSA-N 353.426 1.172 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 8570145 XNKIWKMOSZDIOW-CQSZACIVSA-N 359.382 1.557 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 72276985 WNTKLISYVVMLBM-UHFFFAOYSA-N 366.439 1.744 0 40 FDAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1C 22587440 UCCMSBARLBMIQU-QGZVFWFLSA-N 358.442 1.023 0 40 FDAB CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 71894802 UURRJXIWZFCNTA-UHFFFAOYSA-N 355.504 1.774 0 40 FDAB CN1CCN(c2ccc(C(=O)NC3CCOCC3)nn2)Cc2ccccc21 83881728 ATNRJKXFSASXKR-UHFFFAOYSA-N 367.453 1.842 0 40 FDAB O[C@H]1C[C@@H]2CN(Cc3cnc(NCc4ccccc4)nc3)C[C@@H]2C[C@H]1O 72130929 WRXILAGZZHXHEX-SEXKYXSUSA-N 354.454 1.652 0 40 FDAB CCNC(=O)C1CN(C(=O)[C@H](C)n2c(S)nnc2-c2cccs2)C1 72313805 CCTITMVUBZUCPK-VIFPVBQESA-N 365.484 1.451 0 40 FDAB C[C@H]1CO[C@@H](CO)CN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 95422073 GOWPSQAKHXLQFT-GXTWGEPZSA-N 369.849 1.790 0 40 FDAB Cn1c(C2CC2)nc2cc(NC(=O)CN3C(=O)NC(C)(C)C3=O)ccc21 89869817 QOFMEEOWYYHZJU-UHFFFAOYSA-N 355.398 1.720 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 409205226 OVBUIWIYDRGAMX-HNNXBMFYSA-N 370.471 1.295 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)OC)CC2)cc(C)c1C 39969238 UXTPHDLZFMFPHH-UHFFFAOYSA-N 368.455 1.237 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)NC3CCCC3)C[C@@H]21 306134094 NDGPJPDCNYSFRJ-GXTWGEPZSA-N 361.446 1.057 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O 12780326 OFOJEZRGGPKZIF-QGZVFWFLSA-N 365.389 1.297 0 40 FDAB biogenic O=C1C[C@@H](NS(=O)(=O)c2cccnc2)[C@H](c2cccnc2)N1C1CC1 564436213 MFZKAZWZBJFVNN-WBVHZDCISA-N 358.423 1.260 0 40 FDAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1-c1ncn[nH]1 40398027 RZOWUGHRDCGXAF-UHFFFAOYSA-N 364.756 1.867 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCC1(N2CCOCC2)CCCCC1 40160820 YTXMDHOAHIXNLS-UHFFFAOYSA-N 373.453 1.746 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1 96038945 GYKDBPKLOCUHGE-GUDVDZBRSA-N 352.438 1.772 0 40 FDAB CN1CCN(C(=O)c2c3c(N4CCCC4)ncnc3n3ccccc23)CC1 96146708 VOAKZIWDOMXTCL-UHFFFAOYSA-N 364.453 1.870 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(COCCN(CCN(C)C)C2)C1 96228826 PQZDXBRLVIUZMV-IBGZPJMESA-N 364.490 1.408 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(Cc4ccoc4)C[C@H]3O2)cn1 96043040 FDVILSFVDPNCOU-RYQLBKOJSA-N 356.426 1.674 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)NC1CCCC1)C2 96238072 MCQOLSLYBKKZBN-IBGZPJMESA-N 357.458 1.457 0 40 FDAB CN(C)C(=O)c1cnc(C2(C)CCN(C(=O)c3cnn(C)c3)CC2)s1 257229573 FYPNBAUDJIZZPW-UHFFFAOYSA-N 361.471 1.772 0 40 FDAB O=C(Cc1ccc(F)c(Cl)c1)N1CC[C@@](O)(CN2CCOCC2)C1 257334828 YHMYFTJJTUAPJT-QGZVFWFLSA-N 356.825 1.317 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3ccc4c(c3)CCC4)CC2)OC[C@]1(C)O 257226283 FJZFSHNMQAEYBN-ICSRJNTNSA-N 358.482 1.909 0 40 FDAB CCCS(=O)(=O)N1CCC(Cc2cnc(CNC(C)=O)cn2)CC1 257263204 LOWSWKPEDNEZBT-UHFFFAOYSA-N 354.476 1.107 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)C1CCC(OC)CC1 273866534 ZVNAXGGAIUZXKP-UHFFFAOYSA-N 371.455 1.900 0 40 FDAB COCC(=O)Nc1cccc(CNC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)c1 626744430 AMQVBRVMBAGJFK-IUODEOHRSA-N 363.414 1.524 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 43741226 SYUDRJAFDXATKU-IKGGRYGDSA-N 370.449 1.716 0 40 FDAB biogenic CC(C)n1cc(S(=O)(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)cn1 681568071 RXULIVSXUJGNAU-ZDUSSCGKSA-N 359.354 1.846 0 40 FDAB COC(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)n1 1207319077 CXBCTYJGRREJHP-AWEZNQCLSA-N 352.354 1.897 0 40 FDAB O=C(CCCNC(=O)c1cnccn1)NC[C@@H]1CCCN2CCCC[C@H]12 604404378 FYFWPPZTYDWABO-DOTOQJQBSA-N 359.474 1.367 0 40 FDAB biogenic NC(=O)c1ccc(NC(=O)CN2CC(c3nc(-c4ccco4)no3)C2)cc1 96024290 NKKKUKJJONPKMX-UHFFFAOYSA-N 367.365 1.466 0 40 FDAB COc1ccccc1[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)OC 96385164 CBIWWUSGZLPITP-KRWDZBQOSA-N 360.385 1.954 0 40 FDAB Cc1ncc2n1C[C@H](C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 570934821 UMKJNRFBXOMQKD-CJNGLKHVSA-N 360.845 1.620 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@H](C)C2 585096917 CNTDIPHESHUYEL-LLVKDONJSA-N 354.407 1.199 0 40 FDAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@@H]2CCCN2C(=O)/C=C/CN(C)C)n1 585291754 FQUXMTCOKZIEOA-BVBGJJFLSA-N 369.473 2.341 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)COc4ccccc4)CC3)[C@H]2C1 585106009 CVMZIWUHNHOUBS-MSOLQXFVSA-N 371.481 1.514 0 40 FDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)c2ccco2)cc1 44720194 SNUGGNASTKEIJT-GFCCVEGCSA-N 362.407 1.696 0 40 FDAB CS(=O)(=O)/N=C(\O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 48486839 OXTLYPOBSBYCRA-SNVBAGLBSA-N 362.354 1.809 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)c1cc(C2CC2)nc2ccccc12 58416174 GWEPNTUCRRGLTK-UHFFFAOYSA-N 359.451 1.878 0 40 FDAB O[C@H]1[C@H](NCc2cc(-c3ccccc3)no2)[C@H]2CO[C@H](O2)[C@@H]1n1cccn1 952844616 BUFOSDSLQKARNT-IEWDOMPSSA-N 368.393 1.354 0 40 FDAB biogenic,in-vitro COCCN1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595885 QPWIAQATBYMFNM-AOIWGVFYSA-N 359.470 1.089 0 40 FDAB O=C(COC(=O)C1CCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5507526 XFVNADQROJSWTC-UHFFFAOYSA-N 366.439 1.753 0 40 FDAB CC(C)C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310303 SRIFOMJIVIAHNK-UHFFFAOYSA-N 369.404 1.654 0 40 FDAB Cc1sc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1 13996499 UFTKEMDTFNGSBE-UHFFFAOYSA-N 374.469 1.181 0 40 FDAB O=C(O)/C(I)=C(/I)C(=O)O 17022461 BJGNTGGAJYXRAR-UPHRSURJSA-N 367.864 1.237 0 40 FDAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)CCn3cncn3)CC1)OCC2 19454225 YGXFBUXOGUDPMH-UHFFFAOYSA-N 370.457 1.672 0 40 FDAB CCc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 19523457 JDUGMKCBRFRQBR-SLFFLAALSA-N 352.482 1.901 0 40 FDAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(=O)n(C)c(=O)[nH]1 19714458 ZFMANBAQZWSPOH-UHFFFAOYSA-N 371.372 1.327 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1C 646045759 PJQTWQLQIGSPAC-INIZCTEOSA-N 355.456 1.850 0 40 FDAB c1ccc2c(c1)CCN2c1nc(N2CCOCC2)nc(N2CCOCC2)n1 11613418 HHVGPOIMXADSHN-UHFFFAOYSA-N 368.441 1.239 0 40 FDAB O=C(CN1CCOC1=O)N1CC[C@@H](Oc2ncccc2Br)C1 238878743 OSIMBJOSWJGEQH-SNVBAGLBSA-N 370.203 1.276 0 40 FDAB NC(=O)C1CCN(C2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 390826008 XTHPJZSUYNMFHP-UHFFFAOYSA-N 356.348 1.122 0 40 FDAB NC(=O)c1cc(OC2CN(C3CCN(Cc4ccccc4)CC3)C2)ccn1 1889136269 IMJCAHDDLLEAEI-UHFFFAOYSA-N 366.465 1.908 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3cccc(OC)c3)n2)c1C 29464028 TXYMZKHYUCZVQB-UHFFFAOYSA-N 369.381 1.963 0 40 FDAB CCc1c(C)ncnc1N1CCN(c2cc(=O)n3ccccc3n2)CC1 1776009542 HOXCMDLNWAWBCC-UHFFFAOYSA-N 350.426 1.682 0 40 FDAB c1c[nH]c(-c2nccnc2CC2CCN(c3ncnc4[nH]cnc34)CC2)n1 2037843712 FONWHNOTPIEWAC-UHFFFAOYSA-N 361.413 1.992 0 40 FDAB Cc1cncc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)c1 2055745503 FERIVUPVJWTGIJ-AWEZNQCLSA-N 354.410 1.805 0 40 FDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccn2)C1 2055747528 FPIUFAUVLIHIOO-IBGZPJMESA-N 356.401 1.592 0 40 FDAB CCOCC(=O)N1CC[C@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055746494 NZMOGPSILVTVIB-GOSISDBHSA-N 367.421 1.008 0 40 FDAB CCCCCCn1c(NCCCOCC)nc2c1c(=O)[nH]c(=O)n2C 2590319 WLSMLKAQIIBIJF-UHFFFAOYSA-N 351.451 1.842 0 40 FDAB CC(C)n1cnnc1SCC(=O)N1CCN(Cc2ccccn2)CC1 40086829 KLMIGVLLMOJGQV-UHFFFAOYSA-N 360.487 1.691 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 101023618 MNHNNZZJJRVKLE-PSASIEDQSA-N 371.136 1.377 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c(OC)c1 101359080 SWSYDRKVCSOYDF-WMZOPIPTSA-N 366.373 1.992 0 40 FDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3cccnc3)n2)cc1 20737891 QANLDLMYVNHMCI-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c1C 20797454 ROJIIQLRMGDTAA-UHFFFAOYSA-N 358.486 1.482 0 40 FDAB Cc1noc(C)c1CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 7777812 VUCQFHNHFSEQCK-KBPBESRZSA-N 356.444 1.029 0 40 FDAB COC(=O)c1ccccc1N(C)C(=O)Cn1cnc2ccsc2c1=O 11652007 FODNCEYMRNGJIO-UHFFFAOYSA-N 357.391 1.908 0 40 FDAB O=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccccc1 11689664 DEJRVUXIOFHEID-UHFFFAOYSA-N 374.418 1.664 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 7708575 XHGOAJSFTILFSS-UHFFFAOYSA-N 372.424 1.152 0 40 FDAB CCCn1c(C(=O)NCc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 11845362 NACBSRFHOVDPEK-UHFFFAOYSA-N 354.410 1.379 0 40 FDAB Cc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccc(S(N)(=O)=O)cc1 812412 LXQPMEIBRBCXSZ-UHFFFAOYSA-N 373.312 1.953 0 40 FDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3256691 NNRUNQHYDJZCOI-RISCZKNCSA-N 359.430 1.506 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)OCCCO2 32722585 XFXRUXJRZAOQJZ-MRXNPFEDSA-N 352.390 1.900 0 40 FDAB CCCCn1c(SCC(=O)NC)nc2cc(S(N)(=O)=O)ccc21 6167941 OXQDACCNKOPDAE-UHFFFAOYSA-N 356.473 1.322 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)c3ccc4c(c3)OCO4)nc2s1 6588432 GAWSXZOTFJWVND-UHFFFAOYSA-N 359.363 1.799 0 40 FDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)N1CCNC1=O 7418707 AIDAVZASCSWMIO-UHFFFAOYSA-N 363.370 1.966 0 40 FDAB COCCN1C(=O)C2(CCN(Cc3nccn3C)CC2)c2ccccc21 106817990 HUOOGLUBCQDNPB-UHFFFAOYSA-N 354.454 1.947 0 40 FDAB CC1CCN(S(=O)(=O)NCCCS(=O)(=O)Cc2ccccc2)CC1 32916430 SOLYMGUQDWLWOD-UHFFFAOYSA-N 374.528 1.558 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1CSCN1S(=O)(=O)c1cccs1 46814002 MMFPSWUMNKPTKN-SSDOTTSWSA-N 360.404 1.490 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@H]3c3ccsc3)cnc21 46911504 GENFOVCYOQEUQT-AWEZNQCLSA-N 357.439 1.945 0 40 FDAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCSCC1 12408020 XCMAPGWXUQGJSD-UHFFFAOYSA-N 354.233 1.614 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nnsc1Cl)C2=O 23276245 MCZJQSICWZJMGL-RMLUDKJBSA-N 372.834 1.735 0 40 FDAB CCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 20112351 VBRSNTANRUXSKL-UHFFFAOYSA-N 365.499 1.390 0 40 FDAB COc1ccc(CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1OC 23741816 SUGZTIUADKFUBB-UHFFFAOYSA-N 357.410 1.350 0 40 FDAB NC(=O)c1cccnc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 24054304 JJETTWDHZHMKDQ-UHFFFAOYSA-N 373.844 1.595 0 40 FDAB COc1ccccc1OCCNc1c(NCc2ccccn2)c(=O)c1=O 101695565 XSHLNLPZDXPVLE-UHFFFAOYSA-N 353.378 1.789 0 40 FDAB COc1cccc(NC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 24193348 SJIFJQQGXXOECV-AWEZNQCLSA-N 353.444 1.032 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1 24594914 SSOYRJLENSFRJO-UHFFFAOYSA-N 361.379 1.555 0 40 FDAB Cc1ccccc1CN(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 23394762 BBTVCYJGERSWBY-UHFFFAOYSA-N 354.453 1.463 0 40 FDAB Cn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1 27937990 RJQMZEVODTWMAH-UHFFFAOYSA-N 363.424 1.930 0 40 FDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(CCc2ccccc2)CC1 23249326 XDSVYMDGWXSUOL-RTBURBONSA-N 353.466 1.755 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H]2CCCC[C@@H]2C1 8155530 JMJJFWLJYGFOHD-ZIAGYGMSSA-N 362.451 1.870 0 40 FDAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(CCO)CC(F)(F)F)n21 58226248 TYXIRZMPDUAVKL-UHFFFAOYSA-N 369.347 1.246 0 40 FDAB COc1ccc(Br)cc1CNC(=O)CCN1C(=O)CCC1=O 58216697 BASVIRLAITVNMU-UHFFFAOYSA-N 369.215 1.613 0 40 FDAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 37867478 PJOLYMNTLWHFHR-MQDPRIHCSA-N 359.378 1.765 0 40 FDAB O=C(Nc1cccnc1-n1cccn1)N1CCN(c2cnccn2)CC1 48197321 AEVJDJLLTIPALG-UHFFFAOYSA-N 350.386 1.411 0 40 FDAB CCN(CC(=O)NC(C)(C)C)CC(=O)N1CCN(c2ccccc2)CC1 8213238 DPBXJZJUDHFUHM-UHFFFAOYSA-N 360.502 1.572 0 40 FDAB Nc1c(C(=O)CSc2ccc3c(c2)CCC3)c(=O)[nH]c(=O)n1C1CC1 12925130 XQOMFTPYXKHGTG-UHFFFAOYSA-N 357.435 1.917 0 40 FDAB COC(=O)CCCN1C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3CN2C1=O 12900706 DFGNUBUAXFXLHJ-ZDUSSCGKSA-N 362.382 1.346 0 40 FDAB biogenic COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249182 SRNLKHPPARJJQD-ZDUSSCGKSA-N 369.425 1.331 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 6169703 YGBHEBMKYNSLJR-UHFFFAOYSA-N 357.318 1.997 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(F)c2)NC(=O)N[C@@H]1C 5149256 WLUJOUYAURMARW-SECBINFHSA-N 366.345 1.510 0 40 FDAB COC(=O)c1nnn(-c2ccc(Br)cc2F)c1C(=O)OC 4316631 PTLLSVASQJXWIC-UHFFFAOYSA-N 358.123 1.742 0 40 FDAB C[C@@H]1c2cc3c(cc2CCN1C(=O)C1=NN(C)C(=O)CC1)OCCCO3 5489420 OYTVNZBSGNDONS-GFCCVEGCSA-N 357.410 1.902 0 40 FDAB Cc1ccccc1CC(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306143311 XYKJWNWIKKQKGM-RCCFBDPRSA-N 352.438 1.913 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OC1CCCCC1 18185452 VHFUCHITKQKXRI-UHFFFAOYSA-N 356.444 1.536 0 40 FDAB C[C@@H](NC(=O)COC(=O)Cn1cnnn1)c1ccc(Cl)cc1Cl 5937865 HFJOMHAVXNXJMW-MRVPVSSYSA-N 358.185 1.401 0 40 FDAB COCCNC(=O)[C@@H](CC(C)C)NC(=O)N1CCn2c1nc1ccccc12 15972963 NDJQYEOAJSEZLC-OAHLLOKOSA-N 373.457 1.743 0 40 FDAB CNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 77257428 ZMLJWCXEOMKPEK-NSHDSACASA-N 358.316 1.343 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 71281667 JPARRBBIBLFFGL-AUUYWEPGSA-N 357.410 1.657 0 40 FDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c(C)c1F 97084068 VIDHMJUWFABPGF-CQSZACIVSA-N 369.418 1.638 0 40 FDAB Nc1nc(COC(=O)c2csc(S(N)(=O)=O)c2)nc2ccccc12 9338909 VQMFAWYKZHBXBL-UHFFFAOYSA-N 364.408 1.278 0 40 FDAB O=C(NCc1ccccc1CN1CCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 78841985 ZEFSDWMYMDMRFW-QGZVFWFLSA-N 356.470 1.845 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 96794673 AQKVTUJYPNMPJF-HNNXBMFYSA-N 369.469 1.722 0 40 FDAB Cc1c(C(=O)NC[C@H](C)C(=O)OC(C)C)sc2ncn(C)c(=O)c12 72300952 FBWJUFYBXZMMNM-VIFPVBQESA-N 351.428 1.621 0 40 FDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCc1ccc(F)cc1F 72330875 GKWAYXMAVUDGLX-MRXNPFEDSA-N 363.316 1.964 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 24252112 DRGAYFFUVPWSDJ-UHFFFAOYSA-N 362.861 1.437 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnnc2-c2ccncc2)cc1 95997509 APICXQHUSSOSJQ-UHFFFAOYSA-N 365.397 1.141 0 40 FDAB CC(C)(C)OC(=O)NCCCNC(=O)CCOc1cccc(C(N)=O)c1 75107200 BOWJUZLAKDCOSC-UHFFFAOYSA-N 365.430 1.585 0 40 FDAB CC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)n1 24911036 NVRYXKQHRKDMJX-UHFFFAOYSA-N 369.424 1.976 0 40 FDAB COC[C@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 60387734 JYJXOMBSCVMOGL-VIFPVBQESA-N 355.441 1.063 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375433 SSOWHLNZRXPOGA-GXNBUGAJSA-N 353.422 1.712 0 40 FDAB CNC(=O)c1cccnc1N1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 548334439 MTNZCJLQGXLHJQ-KRWDZBQOSA-N 359.455 1.448 0 40 FDAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1 32093979 CLXGFSPVTKBIHG-KBPBESRZSA-N 371.434 1.275 0 40 FDAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)CN(C)C)n1 72360391 JLNWXGCCCMSVKR-ZDUSSCGKSA-N 361.475 1.914 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)cc2c1N(C)C(=O)C2(C)C 71195969 UTYAHUMTFDUGEL-UHFFFAOYSA-N 351.472 1.185 0 40 FDAB O=C(CS(=O)(=O)C1CC1)N1CCOC[C@@H]1c1nc2ccccc2s1 560318235 FADWPSJIIRKXEI-CYBMUJFWSA-N 366.464 1.773 0 40 FDAB COc1cccc2c1ccn2CCNC(=O)CN1CCN=C(O)C1(C)C 79495377 YMWINYDSCGZCLQ-UHFFFAOYSA-N 358.442 1.817 0 40 FDAB CC(C)CCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217654505 IHJBINXWGHKGOA-UHFFFAOYSA-N 356.444 1.546 0 40 FDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 323201645 KTBATCAFYQPNNR-LBPRGKRZSA-N 357.350 1.651 0 40 FDAB COc1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224885843 MVROKYPITBJLPY-UHFFFAOYSA-N 356.429 1.942 0 40 FDAB CC(C)[C@H](NC(=O)NCC1(N)C2CC3CC(C2)CC1C3)c1nncn1C 574060042 OWCMWRIMAJWYIE-INCKADGYSA-N 360.506 1.965 0 40 FDAB CC(C)CNC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225890900 ZVWNXYLLSVPZIA-UHFFFAOYSA-N 364.519 1.856 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccc2c(c1)CCC(=O)N2 222377104 SDIMEECZSPWAHY-UHFFFAOYSA-N 362.389 1.598 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1.730 0 40 FDAB Cc1cccc(CC(=O)N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)n1 585277996 OLGFPEYUXFSZDZ-FQEVSTJZSA-N 358.413 1.904 0 40 FDAB CNc1cc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)ccn1 585276257 FIEDYYDLJDUBCN-FQEVSTJZSA-N 355.438 1.878 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 585112164 JXUATEWEORFXGS-KRWDZBQOSA-N 364.453 1.994 0 40 FDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(CCn2cccn2)CC1 58218679 PQZYYUJNULVOTF-UHFFFAOYSA-N 356.398 1.168 0 40 FDAB COc1ccc(OC)c(CN2CCN(C(=O)c3ncccc3O)CC2)c1 58245335 CJBJYPCCEGZYIW-UHFFFAOYSA-N 357.410 1.762 0 40 FDAB Cc1cccc(N2CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC2)c1C 57386171 NWEZLTRLNRCYIA-UHFFFAOYSA-N 374.529 1.799 0 40 FDAB CN1CCN(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)CC1 1252288 BJXVARISDRFAQH-KAMYIIQDSA-N 360.439 1.002 0 40 FDAB OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1SC(c2ccccc2)=NN1c1ccccc1 5882944 SQMQFRFGCSHRSM-YFHUEUNASA-N 360.435 1.003 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cn1 12225240 YUQSMXQDLFVUAR-UHFFFAOYSA-N 352.394 1.582 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2c(C)noc2C)c1 16120402 KNQUTOUUNDBVAF-UHFFFAOYSA-N 368.367 1.665 0 40 FDAB O=C1NC[C@@]2(CCCN(C(=O)COc3cccnc3)C2)Oc2ccccc21 19374764 BHPYGLCLXWKLTN-HXUWFJFHSA-N 367.405 1.644 0 40 FDAB Cc1nn(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19557100 ZPFWWOBWFGHJHJ-SFHVURJKSA-N 368.485 1.998 0 40 FDAB C[C@H](NC(=O)c1cccn(CC(=O)N(C)C)c1=O)c1nc2ccccc2[nH]1 19751472 GPCDJWXDUDRNLJ-LBPRGKRZSA-N 367.409 1.304 0 40 FDAB CO[C@@H]1CN(C(=O)Cn2cccn2)C[C@]12C[C@H](c1cccc(F)c1)CO2 643585956 HYPJXEKSAGTRDC-KVSKMBFKSA-N 359.401 1.822 0 40 FDAB COCC(=O)N1CCCN(C2CCOCC2)CCNCc2ccccc21 643589454 UHVXKRPXYVUEFA-UHFFFAOYSA-N 361.486 1.640 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ncc(F)cn5)C[C@H]4C3)ncnc21 1888897279 JTJISSOPORTGGJ-VXGBXAGGSA-N 354.393 1.348 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccncc3)CC2)n1 1889108806 SNOCEPXPIWGDIJ-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 29186902 XQZDKDYCZKDPPO-UHFFFAOYSA-N 367.515 1.478 0 40 FDAB 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COc1cc(OC)c(OC)cc1CNC(=O)c1cnc2ccccn2c1=O 32900079 GMDMOATWFDVTDA-UHFFFAOYSA-N 369.377 1.650 0 40 FDAB COc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)OCCO2 33047718 UMTXEWOKQGAULS-UHFFFAOYSA-N 365.407 1.824 0 40 FDAB O=C(NC1CCN(C(=O)CN2CCCCCC2=O)CC1)c1ccccc1 22186351 ATOXJOZOCZZHGM-UHFFFAOYSA-N 357.454 1.810 0 40 FDAB Cc1ccccc1C(=O)N[C@H](C(=O)NCCCN1CCCC1=O)C(C)C 22625437 UWFOKVKUWVQANS-SFHVURJKSA-N 359.470 1.878 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22811829 DICORDXSVDFUNY-IAGOWNOFSA-N 366.550 1.604 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)NCCOc1ccc2c(c1)CCC2 56009097 QAEQNUWTGVERAO-UHFFFAOYSA-N 364.405 1.475 0 40 FDAB Cc1cc(C)n(-c2nnc(N3CCN(c4ccc(F)cc4)CC3)nn2)n1 3118772 ZLGIVSGBGDQGOY-UHFFFAOYSA-N 354.393 1.535 0 40 FDAB CC(=O)Nc1cccc(-n2c(C)nnc2SCC(=O)N2CCNC2=O)c1 12539401 CXVRMQGLYNIWPV-UHFFFAOYSA-N 374.426 1.178 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@H]4C2=O)no1 106015570 FZVHAHMWMSEPNE-LJGDNWOOSA-N 355.350 1.179 0 40 FDAB CC(=O)N1c2ccc(C(=O)Cn3nnc4ccccc4c3=O)cc2C[C@@H]1C 24827953 CCXASUXUTDWMDA-LBPRGKRZSA-N 362.389 1.972 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)NCCCc1ccccc1 24970760 RVJXAVOYDZGAGH-UHFFFAOYSA-N 368.389 1.923 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC(F)(F)F)cc1 25033173 CYFAFUJQPCYLKD-LLVKDONJSA-N 360.288 1.089 0 40 FDAB CCOC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC 1436329 GLKNVPGFDMIQEM-INIZCTEOSA-N 362.382 1.820 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O)cc1 3290784 ZCYWGVFZWUZPOE-GOSISDBHSA-N 360.414 1.386 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 8974404 OIZZEWUFTXCRQC-UHFFFAOYSA-N 364.405 1.039 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)c1 10032152 XKWCPRJDMIQPHB-GOSISDBHSA-N 361.398 1.768 0 40 FDAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCSCC1 58192362 GWLWUNHBJIEWMU-ZDUSSCGKSA-N 358.510 1.326 0 40 FDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CCc2cccs2)CC1 58174415 MQDBZDDOCMCILH-AWEZNQCLSA-N 366.531 1.921 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H](O)c1ccc(F)c(F)c1 48175228 CMWYWJFCXAIGPE-MRXNPFEDSA-N 374.343 1.801 0 40 FDAB C[C@H](OC(=O)c1ccc(N2CCOCC2)cc1)C(=O)NC(=O)NC1CC1 58385097 HSDOSWIVBVUXFW-LBPRGKRZSA-N 361.398 1.057 0 40 FDAB CN(C)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 3399936 AKPPOYBDZMKHKF-UHFFFAOYSA-N 353.378 1.895 0 40 FDAB CC(=O)N1CCC(NC(=O)CCCn2cnc3c(C)cccc3c2=O)CC1 48265414 SFAZUSJTNSLSHD-UHFFFAOYSA-N 370.453 1.612 0 40 FDAB Cc1noc(COC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 28505806 NEHSRSISQIURIM-UHFFFAOYSA-N 371.440 1.971 0 40 FDAB Cc1sc2nc(CS[C@@H](C)C(=O)OCC(N)=O)[nH]c(=O)c2c1C 3450932 YPQXCYHZMYNLTQ-QMMMGPOBSA-N 355.441 1.252 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)COC)cc1C 13858181 PBUYYHXXZGNOJO-AWEZNQCLSA-N 372.487 1.555 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F 65565285 HPSLQFDXAAQWLM-SKDRFNHKSA-N 364.439 1.943 0 40 FDAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NC(=O)NC1CCCC1 5319710 LQYJTEVSUCGXNV-UHFFFAOYSA-N 360.439 1.715 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 18113969 MXUZBFKIQYRSRL-UHFFFAOYSA-N 367.361 1.490 0 40 FDAB CCCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209711 YWOYVSCQBHNEBM-CQSZACIVSA-N 368.455 1.600 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 8775935 MVPWZVLIOQFCOE-UHFFFAOYSA-N 352.391 1.135 0 40 FDAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc(S(N)(=O)=O)c1C 18465964 NMGRKAHIYWSHLR-LLVKDONJSA-N 356.444 1.411 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1 9117122 LGTDRCYLRUYABN-ZDUSSCGKSA-N 357.863 1.359 0 40 FDAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(F)cc3)c(C)nn12 9225442 KWTKCHALBVDJOY-UHFFFAOYSA-N 358.329 1.741 0 40 FDAB CC(C)c1nc([C@@H]2COCCN2S(=O)(=O)N2CCCCCC2)no1 96000564 IAZCCTPUZWTNSO-ZDUSSCGKSA-N 358.464 1.687 0 40 FDAB COC(=O)CNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 9365526 CTUHQFAJBFBWAC-SNVBAGLBSA-N 362.329 1.798 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1c2ccccc2C[C@@H]1O 79158318 RROGOMRSKVHBSO-CQDKDKBSSA-N 357.376 1.828 0 40 FDAB CN1CCN(c2ccc(NC(=O)[C@@H](C3CC3)N3CCOCC3)cc2)CC1 72301003 FSNOZEZWUBWPMU-LJQANCHMSA-N 358.486 1.488 0 40 FDAB CCN(CC)C(=O)C1(NC(=O)c2cnc(C(=O)OC)cn2)CCCCC1 95456840 QKWHRNIKQGDRLM-UHFFFAOYSA-N 362.430 1.564 0 40 FDAB Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)no1 95959686 APFVSQKSABYXGI-NSHDSACASA-N 364.475 1.596 0 40 FDAB COC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 75107084 ISPVIHNPLCZRND-UHFFFAOYSA-N 354.472 1.679 0 40 FDAB CC(C)n1cc(NC(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)cn1 75105785 KNAQJSPARZJSNR-VWLOTQADSA-N 362.455 1.468 0 40 FDAB COc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OC 26097870 ZEXRDZLUPQYXIZ-FNORWQNLSA-N 368.455 1.257 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 21052548 LNRBFZCRRCFSKH-KBPBESRZSA-N 368.499 1.708 0 40 FDAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)NCc1ccco1 72347192 ULRTUXQRUBKPJI-UHFFFAOYSA-N 363.377 1.831 0 40 FDAB Cc1nccn1-c1cccc(C2CCN(CC(=O)N3CCOCC3)CC2)n1 72379159 MTIQHQUIJFGZIS-UHFFFAOYSA-N 369.469 1.614 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCc3ncccc3C)cc21 72345826 CMNVBPGDEIIKTB-KRWDZBQOSA-N 359.451 1.992 0 40 FDAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2cnccn2)C1 225796251 RCKZZZYOUXELQL-INIZCTEOSA-N 367.409 1.399 0 40 FDAB COc1ccc(CCNC(=O)N2CC[C@H](Oc3nccnc3OC)C2)cc1 225389688 DJWOVJKHACDVMO-INIZCTEOSA-N 372.425 1.899 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c(N2CCOCC2)n1 49411101 GHXWXAABDPRYNB-UHFFFAOYSA-N 364.352 1.305 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225445904 DIWAGRRDPDGFAV-AWEZNQCLSA-N 366.425 1.792 0 40 FDAB CN1CCCN(C(=O)c2ccc3ccc(N4CCN(C)CC4)n3c2)CC1 96155891 SVEDVLGVEYWTHD-UHFFFAOYSA-N 355.486 1.469 0 40 FDAB C[C@@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC[S@@]1=O 532967760 HLDHMCNWDQVVTF-VKTRGTBVSA-N 350.423 1.289 0 40 FDAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2 96252940 DKACVWMAYXTPIK-VNQPRFMTSA-N 370.446 1.376 0 40 FDAB Cn1cc([C@@H](NC(=O)c2ccc3cnccc3n2)C2(CO)CCC2)cn1 577116479 CQSLHXPFPVRDQD-QGZVFWFLSA-N 351.410 1.997 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCc3ccccc3O2)C1 332522646 MYOAAEQIUUPHEQ-GDBMZVCRSA-N 352.456 1.263 0 40 FDAB O=C(c1ccncn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 96147002 OETFSFVSPSZLMI-UHFFFAOYSA-N 371.466 1.800 0 40 FDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)nn1 96100067 KEAQYMPCMXYEFS-BHYGNILZSA-N 353.426 1.480 0 40 FDAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)CCCC(=O)O)ccc21 96182179 SFYHBZXTCJLCPP-UHFFFAOYSA-N 362.382 1.677 0 40 FDAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)c4ccccn4)C3)C2)CC1 96228458 MSKMDBQXHKNYPX-PXNSSMCTSA-N 358.486 1.340 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2cncc(NC)n2)c1C 257312738 UPICIXDWJYCAJN-CYBMUJFWSA-N 350.448 1.569 0 40 FDAB CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257316515 VFXUEIBDOZPILC-ZHALLVOQSA-N 350.434 1.441 0 40 FDAB O=C(Cn1cc(NC(=O)c2occ3c2CCOC3)cn1)NC1CCCC1 585081664 DRSSYSZOFDKNAU-UHFFFAOYSA-N 358.398 1.860 0 40 FDAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 257336601 YPEJQWZIWKXYJE-AWEZNQCLSA-N 361.423 1.899 0 40 FDAB C[C@@H]1CC[C@]23COC(=O)C2=C[C@H](O)C[C@@H]3[C@]1(C)CCC1=CC(=O)O[C@@H]1O 253390283 FSXIRVCJYLNVMM-ZYNWGNSKSA-N 362.422 1.855 0 40 FDAB biogenic,in-vitro O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257344169 ZWALUIGAZXHNSF-JFIYKMOQSA-N 354.397 1.238 0 40 FDAB Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257216755 CVXRMRBEBGGEQD-LJQANCHMSA-N 357.458 1.467 0 40 FDAB CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 265264191 ZOOSTUKBNCPEBI-STQMWFEESA-N 368.455 1.383 0 40 FDAB CN(CC(=O)N1CCOc2cc(Cl)c(Cl)cc21)S(C)(=O)=O 281208288 NLMOAYYSWDTFOE-UHFFFAOYSA-N 353.227 1.610 0 40 FDAB O[C@H](CN1CCOCC1)Cn1cc(-c2cc(Cl)cc(Cl)c2)nn1 641206980 FYUOOCDWRAUSNK-CQSZACIVSA-N 357.241 1.945 0 40 FDAB C[C@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)n1cnc2c(N)ncnc21 668812988 VLMFEXJLBSKSKM-TZMCWYRMSA-N 367.413 1.182 0 40 FDAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1 585097390 KQSSUVNZGYLEQU-HNNXBMFYSA-N 355.442 1.797 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccccc1Br)c1ccoc1 57008731 AFUGGKRNWYYCME-UHFFFAOYSA-N 373.228 1.750 0 40 FDAB COCCn1c(=O)n(CC(=O)NCc2ccc(F)cc2)c2cccnc21 12117560 DOKVMVMEYBNGQF-UHFFFAOYSA-N 358.373 1.300 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)cc1 12145680 KRMQCYWPFFQHTO-CXAGYDPISA-N 368.437 1.853 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)C(C)C)CC1 12187175 YKHIWOTZKLWJRC-UHFFFAOYSA-N 357.454 1.968 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 14117577 FURJLEBKMWFITH-UHFFFAOYSA-N 366.468 1.815 0 40 FDAB COCCNC(=O)CN1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19593484 IQMPFUXURWSCMO-NSHGMRRFSA-N 363.477 1.888 0 40 FDAB CNc1nc(C2CCN(C(=O)C(C)C)CC2)nc2c1CN(C(C)=O)CC2 19711058 IAAFZOUCYQZMSL-UHFFFAOYSA-N 359.474 1.785 0 40 FDAB CC(C)CCN1Cc2cn(nn2)CC(=O)NCCOc2ccccc2C1 643559666 YFEDFPBZLWVWKO-UHFFFAOYSA-N 357.458 1.835 0 40 FDAB C[C@]12CN(S(=O)(=O)c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O 19576489 MOORBNNQRMZHLQ-APWZRJJASA-N 370.430 1.692 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)NC5CCOCC5)C[C@H]4C3)n1)CCC2 1888875584 IPFSTTVBYYWUJE-HUUCEWRRSA-N 371.485 1.530 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)co1 1888929987 KTRZGNTYWDJQMO-KBPBESRZSA-N 372.450 1.496 0 40 FDAB c1csc(-c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)c1 1888962732 TYRADENQSIPECK-UHFFFAOYSA-N 364.438 1.969 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ncc(Br)cn2)C1)C1CC1 1889102681 MCVGMBSUMFERLS-JTQLQIEISA-N 361.265 1.290 0 40 FDAB Cc1nc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cs1 22424536 XOKJNATZROJGJS-UHFFFAOYSA-N 362.480 1.718 0 40 FDAB C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)N1CCNC1=O 27017659 BLGPBIBLYGJZSH-VIFPVBQESA-N 368.773 1.137 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037984858 PZDKDNTZKFOTDJ-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cn(C)nn4)C[C@@H]3C2)nc2ccccc21 2087045509 ZAYZMNDGTSEMLE-ZIAGYGMSSA-N 365.441 1.393 0 40 FDAB O=C(c1csnn1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1565547011 LXZMTKGURMRVNB-UHFFFAOYSA-N 357.439 1.731 0 40 FDAB Cn1c(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)cccc1=O 1565550099 PHPMTMHOKBQUNF-UHFFFAOYSA-N 357.454 1.640 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 5190097 TYFWICQEGZXKQK-AWEZNQCLSA-N 368.393 1.721 0 40 FDAB O=C(NC1CCCC1)c1noc2c1C[C@H](NC(=O)C1CCOCC1)CC2 2055746198 YSSHZUAKUBVPGX-CQSZACIVSA-N 361.442 1.747 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)C3=CCCC3)CC2)[nH]1 2055713435 PEIPVESUTWBGDO-UHFFFAOYSA-N 368.441 1.105 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38490382 QYEMGUQXZLFKAM-STQMWFEESA-N 374.466 1.578 0 40 FDAB COc1cc(N2CCN(c3ncc(Br)cn3)CC2)ncn1 302175478 WAMWMCBCZBQSJK-UHFFFAOYSA-N 351.208 1.364 0 40 FDAB Cn1cc(CC(=O)NCCn2nnc3ccccc3c2=O)c2ccccc21 225796650 BIQVLTORGRSHNL-UHFFFAOYSA-N 361.405 1.642 0 40 FDAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(OC)cc1 38261190 HAXBWMKGZWIMJD-CQSZACIVSA-N 373.361 1.398 0 40 FDAB O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)N2CCOCC2)CC1 10463515 FDMNYJZTUKQNQN-UHFFFAOYSA-N 352.822 1.942 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1NS(C)(=O)=O 40154655 GQOSLPGPJQPBTC-LLVKDONJSA-N 365.411 1.086 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc(Br)c1 32689086 AAXRXZIYTKMEAS-UHFFFAOYSA-N 366.171 1.341 0 40 FDAB CC1CCN(Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 32769516 OOQGNNDRCNYSME-GOSISDBHSA-N 364.511 1.969 0 40 FDAB CCc1nn2c(=O)cc(CN(C)C[C@H]3COc4ccccc4O3)nc2s1 32753413 NTSMIGMBWPCQIJ-ZDUSSCGKSA-N 372.450 1.985 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1OC 7918538 PLQQEJIOCXNBOR-UHFFFAOYSA-N 356.444 1.431 0 40 FDAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298064 JTMZNAAQEJQVFK-OAGGEKHMSA-N 361.490 1.145 0 40 FDAB biogenic,in-vitro CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404807 LGBDFMWBCPKWQX-ZDUSSCGKSA-N 370.471 1.635 0 40 FDAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 32903413 KPEKZIWKXWHSLM-HNNXBMFYSA-N 356.469 1.712 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(c2ccccc2F)CC1 12543217 WRQFWERJRLBCBD-UHFFFAOYSA-N 364.465 1.321 0 40 FDAB COc1cc(Br)c(CNC[C@@H]2CN(C)CCO2)cc1OC 105472620 MUCFGDVZOKSGLZ-GFCCVEGCSA-N 359.264 1.887 0 40 FDAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 9423702 SMBCUVOQYBFJSY-UHFFFAOYSA-N 366.421 1.963 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2cccs2)CC1 24672670 NNFWFCISUAEVLU-LLVKDONJSA-N 361.475 1.100 0 40 FDAB COC1(OC)[C@@]2(Cl)[C@@H]3C(=O)[C@@H]4[C@@H]5C(=O)[C@H]3[C@]1(Cl)[C@]5(Cl)[C@]42Cl 100019728 IXQXXDRHGCNCJI-FPGBLYDUSA-N 372.031 1.557 0 40 FDAB O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)NCc1ccco1 103508088 KGSRZTCMIKWQGQ-HUUCEWRRSA-N 369.421 1.484 0 40 FDAB Cn1nc(C2CC2)cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccnn1C)C2 100210051 RHKUMIQPNWZFBD-KBPBESRZSA-N 355.442 1.686 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O 3353032 TWZXLYSVNPVOJI-BLVKFPJESA-N 373.409 1.532 0 40 FDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CCc2cccs2)CC1 58174416 MQDBZDDOCMCILH-CQSZACIVSA-N 366.531 1.921 0 40 FDAB CCc1n[nH]c(SCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 58169226 ZWLVYHSHMWGUHH-UHFFFAOYSA-N 355.464 1.539 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(N)=O 3371922 SLKAJXCHPZCGHS-NSHDSACASA-N 352.346 1.513 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 58226342 VQCPKAUFRBVSPA-QGZVFWFLSA-N 358.354 1.046 0 40 FDAB Cc1csc([C@](O)(CC(=O)NCC(=O)NC(C)(C)C)C(F)(F)F)n1 58209138 UBIXAJBJJVEAQB-CYBMUJFWSA-N 367.393 1.622 0 40 FDAB CCNC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2cccs2)CCCCC1 58202844 UJJCSKZGTPQQAX-GFCCVEGCSA-N 351.472 1.822 0 40 FDAB O=C(CNC(=O)c1ccccc1)OCc1cc(=O)oc2cc(O)ccc12 11080478 HMFGGJOFSBWADQ-UHFFFAOYSA-N 353.330 1.972 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 48342310 RJWXGNNXPBOGLG-KSSFIOAISA-N 367.457 1.723 0 40 FDAB O=C(NCC(=O)N1CCc2sccc2C1)c1c[nH]c2ccccc2c1=O 45878872 OAMVICKSIHQLCN-UHFFFAOYSA-N 367.430 1.904 0 40 FDAB C[C@@H](Sc1nnnn1CCc1cccs1)C(=O)N1CCNC1=O 8726733 GUNYABYIECJHIQ-SECBINFHSA-N 352.445 1.010 0 40 FDAB COCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4061391 MJXWDTOBRXOWGJ-IBGZPJMESA-N 357.410 1.265 0 40 FDAB biogenic Cc1nc2ccccc2nc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 4317200 ISYMXMSRQDHQQL-NSHDSACASA-N 351.453 1.334 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)C[C@@H](C)O1 14077779 OAKOEHCQQFQVMV-XQQFMLRXSA-N 361.471 1.994 0 40 FDAB O=C(NCCc1ccc(OC(F)F)cc1)c1cnc2n(c1=O)CCS2 14196489 ICGSSKLDKLKCBE-UHFFFAOYSA-N 367.377 1.923 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CC1=O 9076701 KINCNPAKLJYBHT-QGZVFWFLSA-N 369.465 1.683 0 40 FDAB COCCN(C(=O)CN1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 66404662 OJMDJOHMANCYML-INIZCTEOSA-N 366.483 1.101 0 40 FDAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 4938107 YOEYORPHZAJNCU-UHFFFAOYSA-N 360.391 1.778 0 40 FDAB Cc1ccc(OCCS[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 15492219 PHHLIRHHYQDSNR-KGLIPLIRSA-N 357.497 1.799 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(C(=O)O)cc1 28924419 IDKLAIJGDBPQCS-KRWDZBQOSA-N 353.378 1.722 0 40 FDAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@H]2CCOC2=O)CC1 71795962 BRCAMMWXJNORHK-GJZGRUSLSA-N 352.818 1.487 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 9721892 TYURXBSSDKLHRM-UHFFFAOYSA-N 372.425 1.213 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(CCN2CCCc3ccccc32)CC1 84722031 PPLUSFCXAAEULH-GOSISDBHSA-N 358.530 1.972 0 40 FDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 95451925 AVHHFNLGADVUSF-GFCCVEGCSA-N 360.439 1.179 0 40 FDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306144203 YZBBDWBLCJUFIN-INIZCTEOSA-N 354.410 1.710 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@@H]2COc1ccccn1)C(F)(F)F 306144268 ZATDLKUUQVXNOP-SNVBAGLBSA-N 352.334 1.401 0 40 FDAB O=C(CCc1ccccc1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346929 AOVQCUVCNGQLDB-UHFFFAOYSA-N 352.438 1.888 0 40 FDAB O=C(NCCCn1ncccc1=O)C1CN(c2nc3ccccc3s2)C1 62023115 CGKVQDHSEYUACD-UHFFFAOYSA-N 369.450 1.496 0 40 FDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217668862 ROAHYKJCCRBPMO-GHMZBOCLSA-N 360.432 1.145 0 40 FDAB CCc1cc(C(=O)N(Cc2nccn2C)[C@H]2CC23CCNCC3)cc(O)n1 567906943 KMMUVPGZYBBLNY-INIZCTEOSA-N 369.469 1.868 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 44963037 MFYSYFVPBJMHGN-XRYUJSLGSA-N 360.450 1.990 0 40 FDAB biogenic,in-vitro Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCC3)s2)c1 223736289 XXOJKTSRYIQPNK-UHFFFAOYSA-N 352.441 1.883 0 40 FDAB Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc12 329892740 JDSAKGNBVGMXEF-ABAIWWIYSA-N 361.427 2.000 0 40 FDAB CC(=O)N[C@@]1([C@H](O)c2c[nH]c3ncccc23)C(=O)N(C)c2ccccc21 40310342 BHQZXJJWCICVHM-APWZRJJASA-N 350.378 1.604 0 40 FDAB biogenic COc1ccc(Cl)cc1C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O 225794965 AOCDVLJSZKTMRW-UHFFFAOYSA-N 374.784 1.177 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C(=O)C(C)(C)C)C1 96244599 YUBLIZATWVAASD-FQEVSTJZSA-N 374.485 1.668 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C(C)C)n[nH]3)n2)cc1 95472910 KAVFVCIISXTWMD-UHFFFAOYSA-N 368.397 1.799 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(CN(c3ccsc3)C(=O)CN2C)C1 96238214 TZVOINGRNVEOAO-MRXNPFEDSA-N 371.528 1.601 0 40 FDAB O=C([C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1)N1CCSCC1 96101440 RTQITEBFHFEARR-JTQLQIEISA-N 362.377 1.374 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN3CCCC[C@H]23)cc1 97674174 UZXRLBWRGVSLDA-IAGOWNOFSA-N 365.499 1.257 0 40 FDAB CC1(C)C(=O)Nc2cc(C(=O)N3CCC(c4nc(O)n[nH]4)CC3)ccc21 584531499 JENNCJNZBHGUNA-UHFFFAOYSA-N 355.398 1.760 0 40 FDAB Cc1ccc(C(=O)N2CCn3c(CN4CCN(C)CC4)cnc3[C@H]2C)o1 96062031 FTRAZXGBGOEBDG-OAHLLOKOSA-N 357.458 1.749 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cc1 248002222 DNPJBYDEYNVRNB-USXIJHARSA-N 364.467 1.253 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257279320 OGAYXCQALIZHMB-INIZCTEOSA-N 352.398 1.727 0 40 FDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252515418 JRGAFDLKXTYRRG-LZWOXQAQSA-N 357.497 1.905 0 40 FDAB OCCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1 257203651 ARAFHPYCXJESEX-HXUWFJFHSA-N 372.469 1.359 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)O)c2C)cn1 544939845 HJLWYWNVJXPVBB-UHFFFAOYSA-N 350.396 1.884 0 40 FDAB Cc1ccn2ncc(C(=O)NCC3CCN(C4CCOCC4)CC3)c2n1 617113133 YNYLQENFEZVRAD-UHFFFAOYSA-N 357.458 1.659 0 40 FDAB COc1ccc(CC(C)(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 682170121 IGHYLOAIGMYYII-UHFFFAOYSA-N 373.453 1.901 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCCO4)cc21 96025924 PHUGSUWWUOLEGO-UHFFFAOYSA-N 368.411 1.049 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)cc1C 575420473 BXWVRXJJQXDRML-INIZCTEOSA-N 374.528 1.138 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)C1CCC1 585096168 AIBRXNVTOHKTOM-ZDUSSCGKSA-N 353.426 1.911 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 585105537 ZAZSTNDDRQYKKV-OAHLLOKOSA-N 356.463 1.746 0 40 FDAB O=C(c1csnn1)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111373 QZCRCASWVFJFJM-UHFFFAOYSA-N 369.454 1.707 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc(O)n1 585288295 UKRYXLKSIPUEHU-ZSZQSSIHSA-N 355.394 1.250 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585111813 HHXNFBJSJUDONS-CYBMUJFWSA-N 356.398 1.267 0 40 FDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](CN2CCOCC2)C1 72297574 XEOINXPOIRIDGX-SFHVURJKSA-N 371.481 1.537 0 40 FDAB O=C(O)[C](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 1560408825 PVTPBGKJYLOJFG-CYBMUJFWSA-N 357.294 1.770 0 40 FDAB COC1=Cc2c(nc3n(c2=O)[C@@H](C(C)C)C(=O)N[C@]3(O)C(C)C)OC=C1 1772591262 OZCWRYRBOZETGX-UGSOOPFHSA-N 361.398 1.265 0 40 FDAB O=C1c2ccccc2C(=O)N1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5517254 XEDWQEBQPLIIKZ-CABCVRRESA-N 363.417 1.564 0 40 FDAB COc1ccc([C@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)O)OCO4)cc1 5809686 RQIGESLKGRMDPM-LNLFQRSKSA-N 374.345 1.330 0 40 FDAB COc1ccc(OCCCC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 11321094 LQUAUJGJNNTTKB-UHFFFAOYSA-N 361.402 1.431 0 40 FDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1 12204879 LUXSTWLDIYGNKG-HOTGVXAUSA-N 361.490 1.411 0 40 FDAB Cc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 12222947 IPBYYXBMQAWQOW-UHFFFAOYSA-N 355.442 1.861 0 40 FDAB Cc1ccnc2nc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)nn12 12912313 XPMCJTOGHOVSCM-NSHDSACASA-N 359.411 1.327 0 40 FDAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCCNC(C)=O)no1 15673326 KBIGLXQQLHZHCB-HOTGVXAUSA-N 364.490 1.428 0 40 FDAB biogenic,in-vitro CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cnn(C)c1 19697429 GDMVTSHYWWWIRH-UHFFFAOYSA-N 364.409 1.209 0 40 FDAB C[C@@H](NC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O)c1ccccn1 19750620 GUUDYHJEZSVFIW-CYBMUJFWSA-N 354.410 1.261 0 40 FDAB CNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CN(C)CC2 19753244 FUFSROXJWUGJDK-OAHLLOKOSA-N 366.469 1.921 0 40 FDAB COCCN1C(=O)CN(C2CCN(Cc3nc(C(C)C)no3)CC2)C1=O 245187637 ZROOMFJAYYOFJR-UHFFFAOYSA-N 365.434 1.068 0 40 FDAB O=C(CCc1nc(-c2ccccc2)no1)NC1CN(c2cnccn2)C1 1888897459 YLUINIJUQOFXLO-UHFFFAOYSA-N 350.382 1.464 0 40 FDAB COc1cnc(OC2CCN(S(=O)(=O)C3CCCCC3)CC2)nc1 1259814415 YCEHTVJBGMKUQC-UHFFFAOYSA-N 355.460 1.991 0 40 FDAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1 1614929354 YRKVZDVNHMNGHM-AWEZNQCLSA-N 357.389 1.055 0 40 FDAB CCOC(=O)C1(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)CC1 1565553974 NLPRXLVIHVREDP-UHFFFAOYSA-N 366.421 1.809 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)cs1 1565555444 ARRCMNTXGCLSHJ-UHFFFAOYSA-N 362.455 1.871 0 40 FDAB CC(C)C[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]12 13133394 ACFSALJTHZUQDJ-FKRHRZSBSA-N 369.465 1.886 0 40 FDAB O=C(Cc1cccs1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729958 JBMZTSGVJIYDCD-CHWSQXEVSA-N 361.467 1.519 0 40 FDAB O=C(c1cc[nH]c1)N1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 2055785506 YLXUHIGSHHGRBP-CQSZACIVSA-N 367.471 1.250 0 40 FDAB O=C1[C@H](N2CCC(Oc3ncc(F)cn3)CC2)CCN1CC(F)(F)F 1775977557 VHRCTFAXOLMUDS-GFCCVEGCSA-N 362.327 1.622 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC1CCN(c2cnsn2)CC1 585148683 AXGXQYQEYBDKJZ-UHFFFAOYSA-N 368.484 1.802 0 40 FDAB O=C(NCc1cncc(N2CCCC2=O)c1)[C@H]1COc2ccccc2O1 585150403 WOJPGMHLGAWLPF-QGZVFWFLSA-N 353.378 1.665 0 40 FDAB Cc1nc(NC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)sc1C(=O)N(C)C 585149873 WNZPHUUZYFTPIB-NXEZZACHSA-N 352.460 1.500 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4cnsn4)CC3)c2O1 585148778 HKVZTWIHDBQANK-UHFFFAOYSA-N 374.466 1.979 0 40 FDAB O=C1CN(C2CCN(c3ncnc4cnccc34)CC2)C(=O)N1C1CC1 2298049954 URABXGAWMQYNNK-UHFFFAOYSA-N 352.398 1.420 0 40 FDAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 13783402 OIGNJSKKLXVSLS-GYKIMFSQSA-N 360.450 1.558 0 40 FDAB biogenic O=C(CN1CCC(O)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 22011123 UMSAODDFHTVPJZ-UHFFFAOYSA-N 360.454 1.800 0 40 FDAB CCCNC(=O)N[C@@H]1C[C@@H](c2nc(COC)nn2C(C)C)CC[C@H]1O 2332241524 CKONTWMJFYGOKB-BFHYXJOUSA-N 353.467 1.712 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(F)cc1)C2=O 2619775 UZJVJQJZOKBZNE-YJYMSZOUSA-N 361.417 1.985 0 40 FDAB CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccccc2C)no1 32796973 QIXHGPXWMPSDEQ-GFCCVEGCSA-N 351.428 1.875 0 40 FDAB Cc1ccc(NC(=O)CCN2CCSC2=O)cc1S(=O)(=O)N(C)C 32784563 JOOBIANJSBJVJL-UHFFFAOYSA-N 371.484 1.743 0 40 FDAB CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O 2629048 NHIBOUMNXJGNJX-UHFFFAOYSA-N 370.453 1.329 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 21497528 ANTKOAMOWBPZHL-MRXNPFEDSA-N 368.418 1.916 0 40 FDAB CN1CC(=O)N(CC(=O)Nc2ccc(N(C)C)cc2)c2ccccc2C1=O 4092466 TVABQIVFBGKXRG-UHFFFAOYSA-N 366.421 1.810 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)NC(=O)CO2 32843257 WEEYGEWPQQAURR-UHFFFAOYSA-N 364.361 1.756 0 40 FDAB CCC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 6946319 OUPMMVSPSRWFKF-LBPRGKRZSA-N 358.460 1.775 0 40 FDAB Cn1nc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 6998187 JSJGBRLHTBYLSA-GFCCVEGCSA-N 351.362 1.503 0 40 FDAB Cc1ccccc1CN1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 32900063 RRDUSSHBOUXJKU-UHFFFAOYSA-N 362.433 1.961 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)CNC2CCC(O)CC2)c(OC)c1 8428514 SPBRDDWUZVCOFM-YMAMQOFZSA-N 353.415 1.115 0 40 FDAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-n2cncn2)nc1 46714221 XKZSHENOUXBBSQ-UHFFFAOYSA-N 351.366 1.640 0 40 FDAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1=O 22923939 HEUSQUBXHPREBU-UHFFFAOYSA-N 371.365 1.902 0 40 FDAB CN(C(=O)COC(=O)C(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 23512184 LCLJTWRWPHMUSZ-AWEZNQCLSA-N 353.440 1.153 0 40 FDAB O=C(NCCNC(=O)c1ccco1)NCCOc1ccc2c(c1)CCC2 56485156 QTVMOPKLQDVJQA-UHFFFAOYSA-N 357.410 1.876 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCn1ccnc1 35310469 SNPVMQPZHLMUEB-CYBMUJFWSA-N 371.894 1.581 0 40 FDAB CS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58193653 WAMZYZCRVGXSSR-CYBMUJFWSA-N 352.378 1.628 0 40 FDAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(CC(F)F)CC1 58171258 ITZIAABEXVKSGT-CYBMUJFWSA-N 352.385 1.384 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N1CCOCC1 58166385 RVTANWARMWFMAE-MRXNPFEDSA-N 365.455 1.643 0 40 FDAB O=C(Cn1c(-c2cccc(Br)c2)noc1=O)N1CCOCC1 58202942 XJSQFXFRTWVTBC-UHFFFAOYSA-N 368.187 1.125 0 40 FDAB CC1(C)O[C@H]2O[C@@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 2139035 HTVDMLDHTTWATO-JRBZFYFNSA-N 363.410 1.699 0 40 FDAB biogenic CCOC(=O)c1c(C)oc2ncn([C@H](C(N)=O)c3ccc(F)cc3)c(=O)c12 58416524 SWFXYDVAOXNBAQ-AWEZNQCLSA-N 373.340 1.688 0 40 FDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCn2ccnc2)no1 45162053 HHYMNEXPTNAUEQ-LBPRGKRZSA-N 351.432 1.446 0 40 FDAB O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc2c(c1)OCO2 2460794 LKMCAOSCFCWADX-UHFFFAOYSA-N 373.390 1.187 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)nc2n1 29074907 AVQOQPCSSLYHCB-ZDUSSCGKSA-N 362.397 1.761 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)N2CCCN(C(C)=O)CC2)cc1OC 12793833 SPWAJRFONIXKRR-CQSZACIVSA-N 363.458 1.263 0 40 FDAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 48364156 DQIOZSVUOFYWIE-NSHDSACASA-N 365.817 1.616 0 40 FDAB COc1ccc(Cl)cc1NCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 12877075 BQKQRAMKSDCLLC-UHFFFAOYSA-N 364.789 1.411 0 40 FDAB CCN(Cc1cccc(F)c1)C(=O)NC1CCN(S(C)(=O)=O)CC1 12983807 PJSUESMYGXGRIH-UHFFFAOYSA-N 357.451 1.781 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCN3C(=O)CCC3=O)c2)n1 49302419 ARIQFOVHPIWNES-UHFFFAOYSA-N 368.393 1.477 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1Cl 4386491 WEHLSJSHOHHFQI-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 14119502 IOWSVQRVGFRRNP-HOTGVXAUSA-N 369.421 1.668 0 40 FDAB COCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 14183943 LQZXCSJFROLHMY-UHFFFAOYSA-N 374.768 1.400 0 40 FDAB O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)Nc1ccccc1F 14246112 LDFUAQKMUGOOCE-OAHLLOKOSA-N 351.341 1.990 0 40 FDAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 4794568 WNPCADDTHHEWIB-YPMHNXCESA-N 354.428 1.624 0 40 FDAB O=C(NCc1ccncc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 8724697 DUCSAGVGANMYJG-UHFFFAOYSA-N 374.447 1.623 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@@H](C)c3ccco3)c(=O)c12 7554762 UCUOOKRLDJLRGO-JTQLQIEISA-N 373.365 1.945 0 40 FDAB CCc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9114728 BQWLPMVTCNRHIR-CQSZACIVSA-N 363.439 1.353 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3CC(C)=O)CC2=O)cc1 96011964 SISHUIFBFZHPRB-AEFFLSMTSA-N 358.438 1.808 0 40 FDAB CCN1C(=S)N(c2ccc3c(c2)OCCO3)[C@@H]2CS(=O)(=O)C[C@H]21 9304494 WHMLZMRRASSFRG-VXGBXAGGSA-N 354.453 1.050 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 72273180 YGFSHWUYSCYNOJ-RNCFNFMXSA-N 367.393 1.622 0 40 FDAB COC(=O)[C@H](C)CN(C)C(=O)c1nc(NC(C)=O)ccc1Br 79046424 GYXDHPBQUWGIKH-MRVPVSSYSA-N 372.219 1.684 0 40 FDAB COc1ccc(C)cc1NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 95954149 LJHNLIRJSPSWST-AWEZNQCLSA-N 358.398 1.956 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)C4CC=CC4)CC3)C2=O)cn1 95998315 WCIMQGAQOKHISD-KRWDZBQOSA-N 357.458 1.026 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 409411997 PHJNDNCQDULMDW-UHFFFAOYSA-N 357.391 1.740 0 40 FDAB Cc1cc(NC(=O)COC(=O)C2(c3ccccc3)CCOCC2)n(C)n1 42285691 PPHGCFMNSLPOSL-UHFFFAOYSA-N 357.410 1.959 0 40 FDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)C1 517918848 VJZDNDVYKROQOV-AEXBHSQCSA-N 355.482 1.895 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 526052586 PGPRKZVFNNUNBX-BMIGLBTASA-N 370.413 1.995 0 40 FDAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@H]1CC 31641084 QUMPGBHKYVZKCD-JTQLQIEISA-N 362.411 1.367 0 40 FDAB CCCCNc1cc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc(N)n1 557587284 KOIWQJURSIDVLM-UHFFFAOYSA-N 371.493 1.453 0 40 FDAB COCCCS(=O)(=O)N1CCN(C(=O)c2csc(C)c2C)CC1 180428025 LYTPSKLLZPPDFV-UHFFFAOYSA-N 360.501 1.489 0 40 FDAB O=C1CN(C(=O)c2cccc(NC(=O)c3n[nH]c4c3CCCC4)c2)CCN1 1565525038 YKKFWNJBDBUHSI-UHFFFAOYSA-N 367.409 1.113 0 40 FDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 35485110 HWZNOCCEAGAHOW-WBMJQRKESA-N 367.405 1.573 0 40 FDAB biogenic C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cccs2)C3)C[C@@H](C)O1 72346956 FRTBDAVDDOTTMD-VXGBXAGGSA-N 374.466 1.644 0 40 FDAB COc1cc(OC)c(NC(=O)CSc2nnc(O)[nH]c2=O)cc1Cl 71405401 XSWJILKWHSCPQW-UHFFFAOYSA-N 372.790 1.272 0 40 FDAB CN(C)C(=O)Cc1ccccc1-c1nn2c(CC(=O)N(C)C)nnc2s1 41127056 KDIRRDJELPBIBS-UHFFFAOYSA-N 372.454 1.114 0 40 FDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2 224172985 YDGYSRDYWXBTDJ-UHFFFAOYSA-N 371.397 1.406 0 40 FDAB Cc1noc([C@H]2CN(C(=O)NCc3ccn(C4CCCC4)n3)CCN2C)n1 568671392 QQLMOKOJXLOTET-MRXNPFEDSA-N 373.461 1.888 0 40 FDAB COC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1C 95477265 PGJOUJMTFZHSPU-GFCCVEGCSA-N 358.383 1.453 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccncc1)CC2)c1cnccn1 96051517 ZMZCXZRKMJHDDO-MRXNPFEDSA-N 351.410 1.686 0 40 FDAB O=C(CC1CC1)N1CCOC[C@@]2(C1)CN(c1ccsc1)C(=O)CO2 96240209 DEIOHYPZWHUEDN-QGZVFWFLSA-N 350.440 1.509 0 40 FDAB C[C@H]1CN(C(=O)Cc2ccccn2)C[C@@]12CCN(c1cccnc1)C2=O 96070318 FIKLHCBQKXULHT-YWZLYKJASA-N 350.422 1.921 0 40 FDAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 96050125 KCPDYNDWRREGGF-UHFFFAOYSA-N 368.485 1.124 0 40 FDAB COc1ccccc1CN1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96108115 RGFCYWDTXBKLOS-AZUAARDMSA-N 356.470 1.762 0 40 FDAB Cc1cccc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)n1 247886725 UAPDBWQLVOMJCM-OAHLLOKOSA-N 374.466 1.248 0 40 FDAB C[C@@H]1CN(c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)C(=O)O1 257250818 JOCYIPJEFNBGEJ-GFCCVEGCSA-N 353.444 1.641 0 40 FDAB O=C(c1ccncc1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 85472249 PHRNGRBNWAAKJX-UHFFFAOYSA-N 361.409 1.973 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H]1c1ccnn1C 1615550284 UCNBNFIFBQYRTF-HZPDHXFCSA-N 374.416 1.238 0 40 FDAB O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(-c2nc(=O)o[nH]2)c1 614984870 XRYHKIFANZBYDF-JXFKEZNVSA-N 365.389 1.926 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 666779380 JUHYLOIGAGTNLK-UTUOFQBUSA-N 372.409 1.609 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1Cl 96098239 VHLDTCPDSXAUCG-UHFFFAOYSA-N 367.876 1.546 0 40 FDAB O=C(NCc1cscn1)C1=NO[C@@]2(CCCN(Cc3ccccn3)C2)C1 585101270 TVIDODFIDODEME-SFHVURJKSA-N 371.466 1.965 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@@H](C)C2 585096920 CNTDIPHESHUYEL-NSHDSACASA-N 354.407 1.199 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1OCO2 685942004 LALPJWFAKKVDKG-DGCLKSJQSA-N 358.398 1.781 0 40 FDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCC2CC2)c1 58006299 IPJNJHTZCAIIJD-UHFFFAOYSA-N 360.863 1.795 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccccc2F)NC(=O)N[C@@H]1C 5780967 PYBZWWYAZGNKPU-SNVBAGLBSA-N 350.346 1.430 0 40 FDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1 12204875 LUXSTWLDIYGNKG-IYBDPMFKSA-N 361.490 1.411 0 40 FDAB Cc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccccc1 13639231 AZEQPZSIQRBXSG-UHFFFAOYSA-N 350.426 1.796 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)C1 19496503 GAHSAUULUXXIID-DLBZAZTESA-N 371.529 1.902 0 40 FDAB CC(=O)NC1(c2ccccc2)CCN(CC(=O)NCc2ccccn2)CC1 19656722 RSPZVRRTGDZMNJ-UHFFFAOYSA-N 366.465 1.825 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C(C)C)C1)C2=O 19699990 PZRSEYLUGXXARD-OAHLLOKOSA-N 364.490 1.430 0 40 FDAB Cn1cccc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1=O 206785570 NUUVIZMPXIBHHF-LBPRGKRZSA-N 366.343 1.808 0 40 FDAB Cn1cc(C(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)nn1 1040603874 WANMTAXSQQGZEA-GXFFZTMASA-N 366.347 1.580 0 40 FDAB CCc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NC(C)C)C2)cn1 1614930472 DLMALGAEIDJCEB-AWEZNQCLSA-N 356.430 1.032 0 40 FDAB O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1 2087043831 VJEMYXXBLXMKOJ-MRXNPFEDSA-N 352.862 1.919 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 1471237 HQQKNWUMSISPEN-CQSZACIVSA-N 372.377 1.568 0 40 FDAB COc1ccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 5350830 COTJSEWRZUDPJP-MRXNPFEDSA-N 362.426 1.503 0 40 FDAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1nnnn1-c1ccc(F)cc1 9571033 FWGRXQNGIKUELV-WAPJZHGLSA-N 367.340 1.860 0 40 FDAB CCCCn1c(=O)c2c(nc(Br)n2[C@H](C)C(C)=O)n(C)c1=O 11692423 JDCYESNSNYARDA-MRVPVSSYSA-N 371.235 1.609 0 40 FDAB CCOCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(C)c(=O)[nH]1 12008092 XKLXFJUNNAESNJ-UHFFFAOYSA-N 357.370 1.807 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccc(F)cc2)C1 2055771484 BPIPGPGTKXFBDY-LJQANCHMSA-N 358.417 1.671 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cn1 2055730250 PUGKVUSFEVZSAI-OAHLLOKOSA-N 356.426 1.498 0 40 FDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 575415600 GITOFMNJNOCSRZ-HNNXBMFYSA-N 366.439 1.609 0 40 FDAB O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccc2nsnc12 225716784 YYKZNXUZQBAUMO-UHFFFAOYSA-N 361.448 1.500 0 40 FDAB CSc1nc(C(F)F)cc(N2CCN(CCn3nccn3)CC2)n1 2298049130 ZTZGCUIMNMGCFZ-UHFFFAOYSA-N 355.418 1.550 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(CC4(O)CCCCC4)CC3)nn2)n1 2298183941 UNMVZSSAVWXJAF-UHFFFAOYSA-N 356.474 1.788 0 40 FDAB Cc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c1 100033375 KBQPPRAQXKMJBS-IAGOWNOFSA-N 363.377 1.927 0 40 FDAB NC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 100769281 LNHLDLNMBITKAS-GHMZBOCLSA-N 369.377 1.645 0 40 FDAB O=C(COC(=O)c1cc(Cl)ccc1Cl)N[C@H]1CCCCNC1=O 46217497 YSRFYUDFZUYRMX-LBPRGKRZSA-N 359.209 1.935 0 40 FDAB FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1 1005006 MCXOOVVOSCOAFV-UHFFFAOYSA-N 362.230 1.590 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804141 NEFUFVXBAKBPIJ-HNNXBMFYSA-N 355.482 1.950 0 40 FDAB Cn1c(=O)c2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cnc2n(C)c1=O 32902521 RLWKOCDHPVHWLE-SNVBAGLBSA-N 370.331 1.047 0 40 FDAB CCOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 33028996 NJYPPGUQFHRDKN-UHFFFAOYSA-N 362.451 1.709 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(C)=O)CC2)cc1 22090244 VQCBAVTZNCNRBE-UHFFFAOYSA-N 368.455 1.149 0 40 FDAB NC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 672526 WMPJQILTCKGJKP-UHFFFAOYSA-N 354.366 1.242 0 40 FDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccc(Br)cc21)S(C)(=O)=O 53411569 WKMDEOIDWQTQDF-GZMMTYOYSA-N 362.245 1.822 0 40 FDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 22652024 TZUGRVUPCIBQEM-QWRGUYRKSA-N 354.790 1.899 0 40 FDAB CCOC(=O)c1sc(NC(=O)/C=C/C(=O)O)c(C(=O)OCC)c1C 845546 ZHASIBSKFZDRLV-VOTSOKGWSA-N 355.368 1.989 0 40 FDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)no1 836017 SWCNJUSEQZZHJX-VOTSOKGWSA-N 351.340 1.363 0 40 FDAB Cc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1F 47336859 CSQLUJXFGTURDX-UHFFFAOYSA-N 362.405 1.433 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)c1 47403576 LEXOQJYCHIRSPB-NSHDSACASA-N 370.413 1.684 0 40 FDAB Cc1cc(C)cc(OC[C@@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 42757566 UFFZJFIXNZTUDP-AWEZNQCLSA-N 367.405 1.552 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC[C@@H](C)C1 24750178 MIDVFTUCVQQEEO-CZUORRHYSA-N 351.472 1.136 0 40 FDAB CN(CC(=O)NC[C@@H]1Cc2ccccc2O1)S(=O)(=O)c1ccccc1 24928688 AISVMJLTFYYMTK-HNNXBMFYSA-N 360.435 1.427 0 40 FDAB CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1 58130721 CCOITSGZWSWBSY-CQSZACIVSA-N 374.485 1.597 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nccs1 58225602 ACYOISOWBXNCOB-UHFFFAOYSA-N 362.430 1.608 0 40 FDAB COc1ccccc1CC(=O)N1CCCN(Cc2nnnn2C2CC2)CC1 58264558 SLEWLTJMUOENSC-UHFFFAOYSA-N 370.457 1.294 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C)c1ccc(Cl)cc12 2203605 INRDLLHMRKAMKM-AWEZNQCLSA-N 352.803 1.472 0 40 FDAB COc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)cn1 10742366 KBIHLXXVRSJLJP-OAHLLOKOSA-N 353.382 1.790 0 40 FDAB CN1CC(=O)N(CCCC(=O)NCc2ccc(OC(F)(F)F)cc2)C1=O 48291076 JOZCOUTYSZNEFN-UHFFFAOYSA-N 373.331 1.876 0 40 FDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1c1nnc2ccccn12 29073953 IYWAAGGHJRCQLV-AWEZNQCLSA-N 360.377 1.943 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CNc2cccc(Cl)c2Cl)CC1 48367171 XRDKLGIFKNGIOZ-UHFFFAOYSA-N 366.270 1.509 0 40 FDAB CC(C)CCNC(=O)NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497614 TYAZYSLUOYQQTN-AWEZNQCLSA-N 350.371 1.242 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@H](C)CCc2ccccc2)C1=O 3440989 YWWTVNCCFYPBHF-CQSZACIVSA-N 359.426 1.571 0 40 FDAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)c1cscn1 306129631 IIOLMVSLAJNSDA-DMDPSCGWSA-N 350.469 1.476 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccccc2F)NC(=O)NC1 18336672 IBZYPNDFNAKTRC-UHFFFAOYSA-N 350.346 1.432 0 40 FDAB Cc1ccccc1[C@H]1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 4496021 MKOBSRTZKUIXLM-AWEZNQCLSA-N 367.405 1.869 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O 6508146 NXMYANLNQHQACV-UHFFFAOYSA-N 362.405 1.654 0 40 FDAB CC1(C)Cc2c(sc(NC(=O)NC[C@@H]3CCCO3)c2C(N)=O)CO1 6661437 YVPVDKFRPOVDIH-VIFPVBQESA-N 353.444 1.999 0 40 FDAB C[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cncc(Cl)c3)c2C1 408500135 OEAMICGNTUMUFQ-SECBINFHSA-N 354.819 1.633 0 40 FDAB COc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5873903 OQNWSDWPQNBEDZ-UHFFFAOYSA-N 362.382 1.482 0 40 FDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCCc2ccccn2)C1 96004961 ORGXPBVNHMQJFA-KRWDZBQOSA-N 365.499 1.725 0 40 FDAB COc1cc(CNC(=O)CSc2nncn2C)cc(OC)c1OC 7077362 QFJSISFCENHYNL-UHFFFAOYSA-N 352.416 1.249 0 40 FDAB C[C@@H](C(=O)Nc1cccc2ccccc12)N(C)CC(=O)N1CCOCC1 7607639 TZTWCZVIEDUDAE-HNNXBMFYSA-N 355.438 1.957 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccco3)C2=O)cc1 9420333 XWIAZEABZZSRCD-INIZCTEOSA-N 371.393 1.805 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@@H]2CCCC[C@H]2C1 8155531 JMJJFWLJYGFOHD-KBPBESRZSA-N 362.451 1.870 0 40 FDAB NC(=O)c1ccnc(N2CCN(CCOc3ccc4c(c3)CCC4)CC2)c1 69798749 BQAQGOFDZVKKSD-UHFFFAOYSA-N 366.465 1.870 0 40 FDAB CC(C)C1CCC(N2CCN(C(=O)c3nc(O)[nH]c(=O)c3N)CC2)CC1 84620998 JOSQDDXQKADTEJ-UHFFFAOYSA-N 363.462 1.030 0 40 FDAB COc1cccc(C(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)n1 95998258 CEJYCHNNFHQECQ-MRXNPFEDSA-N 360.458 1.247 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C)c1 95964621 SRNUMSTXIAIQRZ-UHFFFAOYSA-N 374.422 1.050 0 40 FDAB Cn1cccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 75354258 NVIRTHNAEDKWHG-OAHLLOKOSA-N 355.394 1.675 0 40 FDAB CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]21 306129611 IIBYODKAMQZVRQ-KBRIMQKVSA-N 367.877 1.937 0 40 FDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CC[C@@]2(O)CCCC[C@H]2C1 524732452 DVPAPFNOBRWWTH-LNLFQRSKSA-N 355.442 1.611 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408595510 SARZEEXEPJIETA-QWHCGFSZSA-N 350.440 1.658 0 40 FDAB CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 521394786 PQQUYJRNVUGGIC-UHFFFAOYSA-N 355.441 1.523 0 40 FDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1F 71980321 RTYUEOGPNTVQOO-HNNXBMFYSA-N 350.390 1.953 0 40 FDAB COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 32124215 RYILKPIHZZTPSH-QGZVFWFLSA-N 358.398 1.639 0 40 FDAB biogenic O=C(c1ccc(F)cc1F)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974776 ISQOJKGVQGDUIJ-UHFFFAOYSA-N 370.363 1.903 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@](O)(c1nccs1)CO2 72335689 GKFPYONHFUZRSI-QGZVFWFLSA-N 362.455 1.468 0 40 FDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(O)c2)N(C)C)cc1 40267329 GGILLFUZYLHLCD-KRWDZBQOSA-N 357.410 1.758 0 40 FDAB CN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 96225666 RIVXYKUWKQUUNL-OAQYLSRUSA-N 370.497 1.960 0 40 FDAB CCN1CC[C@]2(CN(C(=O)c3cnccn3)C[C@H]2c2ccccc2)C1=O 96201875 MDFRPBSHXSFPLR-OXJNMPFZSA-N 350.422 1.955 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(CCOC)C2 96055965 HZBAOSWPXMYNOR-PXNSSMCTSA-N 361.486 1.805 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccncc1 96232181 CZFOENLRXOQXFR-HNNXBMFYSA-N 356.382 1.234 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cccnc1)C2 96050269 FGSIFKNJSCASPO-FQEVSTJZSA-N 368.412 1.784 0 40 FDAB O=C(c1cccc(F)c1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249747 WEYRDKIVSPQWAW-NVXWUHKLSA-N 356.401 1.983 0 40 FDAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1 247493357 NEIXUFIVTCTOBV-OAHLLOKOSA-N 361.471 1.553 0 40 FDAB O=C(COC[C@H]1CN(Cc2nccs2)Cc2cncn21)N1CCCC1 247732811 IJEICUWPVFOOPH-OAHLLOKOSA-N 361.471 1.536 0 40 FDAB Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCc1c[nH]c2ccccc12 257225674 FHHFPSLYUBMVAW-QRQLOZEOSA-N 370.405 1.835 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257255638 KIHUIXOIXKLHLU-IBGZPJMESA-N 358.442 1.719 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCOc1ccccc1 257342047 ZMVTUEDGWVQQAF-IBGZPJMESA-N 356.426 1.345 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3ccc(C(=O)O)cc3)cn2)C1 257244869 INDSRIKDXHRCLS-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@H](O)C=C4[C@@H](C2)N(C)CC[C@]431 253504744 LQIKGKFOKAXCRM-OSYWVQGVSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccc(C)s3)C[C@@H]2C[C@@]1(C)O 257246679 IVGORDFUKMLFBT-AAJLLMFJSA-N 352.500 1.575 0 40 FDAB CCn1nc(C)c(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c1C 585085669 VOSHAGPMBLQBDM-SFHVURJKSA-N 358.417 1.901 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1ccn(C)n1)C2 257266272 MCGHURVXNKHUGJ-POAQFYNOSA-N 367.453 1.102 0 40 FDAB COCCC(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1 257209885 BSGVZWQPGXNUTD-AWEZNQCLSA-N 360.458 1.267 0 40 FDAB CCc1noc(C)c1C(=O)NCc1cncc([C@@H]2CCCN2C(C)=O)n1 257260470 LCZOIHOIWRTBHC-INIZCTEOSA-N 357.414 1.949 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@@H]1CCc1nccnc1C 257316531 VFZTZMGQGPULLR-KRWDZBQOSA-N 357.458 1.620 0 40 FDAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1 630219420 MWWYPCYEGOAOMO-FDHZTJNISA-N 364.423 1.280 0 40 FDAB O=C(NCCc1nc(=O)o[nH]1)[C@H]1CCOc2ccc(Br)cc21 651926133 HGAVFZJTWUIRCC-VIFPVBQESA-N 368.187 1.350 0 40 FDAB CCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 597041940 VGAOFEXMUDGZTM-WMLDXEAASA-N 351.491 1.931 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1ccc2cncn2c1 1775958916 BCNSJYXDXLRNEV-KBPBESRZSA-N 356.386 1.254 0 40 FDAB CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)O)ccc21 663121162 GJXCSGYOWRTBRP-HNNXBMFYSA-N 367.405 1.761 0 40 FDAB CCOc1cccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 592680281 DQXHLQRWPNZEEV-KRWDZBQOSA-N 369.421 1.969 0 40 FDAB Cc1ccc(NC(=O)C[S@](=O)Cc2nnnn2-c2ccccc2)cc1 71801220 PCKHDMIXPUDYSE-VWLOTQADSA-N 355.423 1.858 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2Cc3ccccc3NC2=O)c1 1648607807 AVANCBYZSQXFDS-OAHLLOKOSA-N 351.362 1.810 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 2362871 WVQODCPXOCIDGU-VMPITWQZSA-N 351.409 1.453 0 40 FDAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1O 8091543 SDJBTRYGXQGSNY-XBXARRHUSA-N 374.134 1.528 0 40 FDAB C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 5576276 IQJKWWRQXYKKJM-CQSZACIVSA-N 352.456 1.580 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)nc2n1 5021428 PXFBOSQNCITOBW-UHFFFAOYSA-N 361.308 1.815 0 40 FDAB Cc1cccc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)c1 13676204 ABXXPBTYAJQDSO-UHFFFAOYSA-N 367.515 1.753 0 40 FDAB Cc1cc2nc(CNC(=O)C[C@H]3NC(=O)c4ccccc43)cc(O)n2n1 19130088 DGJXKXDBDQXXGQ-CQSZACIVSA-N 351.366 1.234 0 40 FDAB Cc1occc1-c1nnc(SCC(N)=O)n1CCCN1CCOCC1 19583243 DHGYKYHVSWWSDM-UHFFFAOYSA-N 365.459 1.146 0 40 FDAB C[C@@H](CN1CCCC1)NC(=O)CN1C(=O)COc2c(Cl)cccc21 19661112 NBFHHWWFXDAJIW-LBPRGKRZSA-N 351.834 1.666 0 40 FDAB Cc1nc([C@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N(C)C 19753686 CMJRYMZLNWPIHS-QGZVFWFLSA-N 373.501 1.882 0 40 FDAB O=C([C@@H]1CN(c2ncccc2Br)CCO1)N1CCSCC1 1888850047 ZUGWIIUHILABMR-LBPRGKRZSA-N 372.288 1.625 0 40 FDAB O=C(CSc1ccncc1)N1CCCc2cnc(N3CCOCC3)nc21 1888850098 MOHWPQQYLYEJAG-UHFFFAOYSA-N 371.466 1.780 0 40 FDAB CCOc1ccc(S(=O)(=O)NC2CN(c3nnc(C)s3)C2)cc1F 1888879661 NZZRPOKPEDCGKN-UHFFFAOYSA-N 372.447 1.551 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ccn4nccc4n3)C[C@@H]2C1 1888921866 GCCBGHXACUIHPR-HUUCEWRRSA-N 369.450 1.486 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccccc3)CC2)n1 1889124996 GUKLUFDSHZMHGP-UHFFFAOYSA-N 367.497 1.986 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 21702718 ZUCFGAKHKBKGJT-LIRRHRJNSA-N 372.377 1.689 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238878978 OTSYNXXQALUSNF-GJZGRUSLSA-N 364.405 1.198 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 1565549635 XFJGRNMZZGMETA-HNNXBMFYSA-N 370.446 1.529 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)n[nH]1 2055708113 KHHLSBATMASETN-CWTRNNRKSA-N 367.409 1.523 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccncc4)cc1c32 101078882 DFJTTWZQOUINRY-LBPRGKRZSA-N 364.405 1.733 0 40 FDAB CC(=O)N1CCN(C(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)CC1 35592779 XBKQLDLQGWFTMA-UHFFFAOYSA-N 357.366 1.304 0 40 FDAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NC[C@H]1CCCO1 33171831 FNUISWVWMXFSGC-GFCCVEGCSA-N 360.439 1.564 0 40 FDAB CC(C)[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1 2132196 JJHICDOJODSCBX-HOTGVXAUSA-N 361.442 1.150 0 40 FDAB biogenic Cc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1 31388001 WKAFVKLYUIVHCW-UHFFFAOYSA-N 351.472 1.402 0 40 FDAB CCC[C@@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451357 SDHNESAEHHZQDE-SECBINFHSA-N 372.347 1.419 0 40 FDAB COC(=O)c1c(SCC(=O)NCc2ccc(C)cc2)nc(=O)[nH]c1C 31618120 OKXHSZGGZKIPOK-UHFFFAOYSA-N 361.423 1.582 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F 20724210 CTYQEPHJTZPJOL-VFZGTOFNSA-N 364.352 1.907 0 40 FDAB CCN(CC)CCNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20727955 CPJHPUPPPPBGBV-UHFFFAOYSA-N 362.386 1.449 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 20761891 RQFDUHWQJFYRPF-MEDUHNTESA-N 358.398 1.637 0 40 FDAB biogenic CCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](CC(C)C)NC(N)=O)cc1 2640802 FUTPAGUCMHDYLD-AWEZNQCLSA-N 363.414 1.844 0 40 FDAB O=c1oc2ccccc2n1P(=O)(N1CCOCC1)N1CCOCC1 1564993 BCXLOPQVKZUHNL-UHFFFAOYSA-N 353.315 1.215 0 40 FDAB O=P(Oc1ccc(OP(=O)(N2CC2)N2CC2)cc1)(N1CC1)N1CC1 1675012 GVGCZHHTTFFSAQ-UHFFFAOYSA-N 370.286 1.923 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 1961951 HRJCOLCZSUQWHU-UHFFFAOYSA-N 352.346 1.773 0 40 FDAB CC1(C)NC(=O)N(CCS(=O)(=O)CCCOc2ccc(F)cc2)C1=O 32796827 GNCVFTYMPXRROM-UHFFFAOYSA-N 372.418 1.340 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)CCNc3ncccn3)CC2)cc1 52328399 JHTYTDPWPNGEGF-UHFFFAOYSA-N 369.425 1.272 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102395573 PFRXZTWGGYHPDL-OKILXGFUSA-N 358.394 1.652 0 40 FDAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC(=O)NC)n2CC 6657882 DUZRWMQIRMRFEP-UHFFFAOYSA-N 364.427 1.781 0 40 FDAB CC(C)CCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997463 CXJUBLYVHWJHOB-UHFFFAOYSA-N 360.457 1.078 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N[C@]1(O)C(F)(F)F 8683628 QJLVSWMMXNBJGU-GBIKHYSHSA-N 366.336 1.775 0 40 FDAB O=c1[nH]c2nc(NCc3cccnc3)ncc2c(=O)n1Cc1ccco1 102911200 XTTWTETVQVGBRK-UHFFFAOYSA-N 350.338 1.128 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCOCC2)no1 22025105 OCTPXOROWOUOIJ-OAHLLOKOSA-N 358.442 1.932 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 57280332 FIHXENFLDKSEMJ-LBPRGKRZSA-N 352.456 1.788 0 40 FDAB CN(C)c1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)cc1 12323578 PHHHBXCSRPSWBH-CQSZACIVSA-N 362.455 1.411 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)Nc3cccnc3-n3cccn3)cnc12 23177176 UTOCMMHYEQULOR-UHFFFAOYSA-N 360.377 1.924 0 40 FDAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc(-n2cncn2)nc1 23131097 RYTBRYQTKSMUCI-UHFFFAOYSA-N 357.761 1.079 0 40 FDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)cc1 105330579 ZZEVMQLARWGHRS-NVXWUHKLSA-N 359.426 1.514 0 40 FDAB Cc1ccc(-n2nnc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)c2C)cc1 55180788 BQUCLEJLGRYFMI-INIZCTEOSA-N 353.426 1.767 0 40 FDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCCc1cccs1 12535431 CXCQOFIYPVBCKS-UHFFFAOYSA-N 372.406 1.850 0 40 FDAB Cn1cc(C(=O)NC2CCN(Cc3nc(-c4ccsc4)no3)CC2)cn1 47949895 CBJAXUTVRWEWOK-UHFFFAOYSA-N 372.454 1.926 0 40 FDAB Cn1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)n1 100145759 IHPPSNGBHMCKER-HZPDHXFCSA-N 365.437 1.968 0 40 FDAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 57604665 XKDWHERGEBIDNP-ZDUSSCGKSA-N 368.437 1.671 0 40 FDAB CN(Cc1ccccc1)C(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198284 LFPKNECLWDNPBA-UHFFFAOYSA-N 357.801 1.741 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)CN2CCc3ccccc3C2)C1=O 58185386 AONBUQJSBSLUFW-JXFKEZNVSA-N 369.421 1.466 0 40 FDAB CN1CCN(CCCN(C)C(=O)c2cccc(N3CCCC3=O)c2)CC1 22914928 WDGCYYYTZDLXIO-UHFFFAOYSA-N 358.486 1.523 0 40 FDAB CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 36037288 GGEAELCBCMQLEG-WONIAPNHSA-N 358.485 1.718 0 40 FDAB Cc1ccc(CN(CCN(C)C)C(=O)C2CCN(S(C)(=O)=O)CC2)o1 58293976 FWVWAOMOEJKENH-UHFFFAOYSA-N 371.503 1.150 0 40 FDAB O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCCC1 10616907 SZOGSFUUARZLLC-UHFFFAOYSA-N 350.850 1.794 0 40 FDAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 12914055 JOFNGSIVGKRQQS-UHFFFAOYSA-N 356.426 1.795 0 40 FDAB O=C(NCCO)C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 13693196 NNKISEIUUVDXAB-UHFFFAOYSA-N 357.197 1.285 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC(C)CC2)n1C1CC1 8752476 NYHGZZGNLGBYPS-NSHDSACASA-N 366.491 1.786 0 40 FDAB CN(Cc1ccccc1)C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 8747453 QMAJSVPEEFYGBL-UHFFFAOYSA-N 359.451 1.355 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 14201665 JKQCUJGBSIALIY-BMFZPTHFSA-N 361.394 1.388 0 40 FDAB CC(C)NC(=O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 69021148 KNCXDMVEQZCNLZ-UHFFFAOYSA-N 359.426 1.437 0 40 FDAB NC(=O)c1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)sc2c1CCC2 6648070 FHXPJAAVNGNRGX-UHFFFAOYSA-N 368.418 1.753 0 40 FDAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCO 6672830 RLGMKBLYMVWWFJ-HNNXBMFYSA-N 373.457 1.479 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4ccncc4)C[C@H]3S2(=O)=O)cs1 306143378 YASSUXNSMDKXHX-GOEBONIOSA-N 364.496 1.493 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)OCCO2 5628603 FKBJBMMEHZLTCL-UHFFFAOYSA-N 358.350 1.374 0 40 FDAB CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 6719916 HUYGFBIRAXCPJH-UHFFFAOYSA-N 363.443 1.193 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 8981316 XBNXNXVJXZSRKA-GFCCVEGCSA-N 355.847 1.630 0 40 FDAB C[C@@H](CNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 7581392 OMZDRWKWABNBLR-AWEZNQCLSA-N 370.405 1.627 0 40 FDAB Cn1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)n1 8118029 PHAZIOGEDLFHGO-UHFFFAOYSA-N 351.204 1.941 0 40 FDAB CCCn1c(N)c(C(=O)CSCc2ccccc2C)c(=O)n(C)c1=O 9620099 YBRVYWFZFZHUPF-UHFFFAOYSA-N 361.467 1.964 0 40 FDAB Cc1ccc(C)c(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)N(C)C)c1 20244693 XDQIBCQXUJVQMW-OAHLLOKOSA-N 369.487 1.211 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(Cl)s2)CC1)N1CCOCC1 78361562 ROGFAZHQIPZZPU-UHFFFAOYSA-N 357.863 1.018 0 40 FDAB Cc1cccc2c1ccn2CCNC(=O)Cn1nnc2ccccc2c1=O 72402616 KWLWOIKZHJRVTE-UHFFFAOYSA-N 361.405 1.871 0 40 FDAB CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)C2CCOCC2)CC1 78944691 FCIRLCGMVKGSJO-LJQANCHMSA-N 371.481 1.535 0 40 FDAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccn3)N=C2O)cc1 95478823 MWQZTTOFMJEJIG-AWEZNQCLSA-N 354.366 1.744 0 40 FDAB CC1CCC(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 95947582 YTIACUMOXVKARV-ODZFXCKXSA-N 351.491 1.393 0 40 FDAB O=C1CCCN1C[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 95959297 IETVEDGUQPBBLW-MRXNPFEDSA-N 361.442 1.176 0 40 FDAB CNC(=O)CCNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 89623966 YJTMSAXVYFUGNJ-UHFFFAOYSA-N 366.483 1.642 0 40 FDAB CN1CCC[C@]2(CN(C(=O)Cc3ccco3)C[C@H]2c2ccnn2C)C1=O 306127398 FXXRUDRGWUPWCW-HNAYVOBHSA-N 356.426 1.420 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccco4)nn23)C1 1501040513 VIJWPXMHOGPYFS-SECBINFHSA-N 353.429 1.585 0 40 FDAB O=C(O)c1ccc(N2CCOCC2)c(S(=O)(=O)NCc2ccco2)c1 217495234 SIDDLBKSVNCQQC-UHFFFAOYSA-N 366.395 1.293 0 40 FDAB COc1ccc2cnn(CC(=O)Nc3nnc(C)s3)c(=O)c2c1OC 79492762 VLVUYIPHMSXHQT-UHFFFAOYSA-N 361.383 1.212 0 40 FDAB Cc1ccc(C)c(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)c1 32508640 IPMYUXHNRNMXQE-KGLIPLIRSA-N 367.496 1.442 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3c(F)cccc3F)c2n1 72324953 ZFNLGGRTXAMQBW-SNVBAGLBSA-N 374.351 1.818 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cn1 72380572 UVTPEVKLKVFBGY-ZDUSSCGKSA-N 370.457 1.835 0 40 FDAB CN(C)C(=O)CN1CCC[C@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72358879 SCZJQULQKISDJS-INIZCTEOSA-N 367.453 1.510 0 40 FDAB Cc1ncc(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)s1 328808094 DQWDSBMJJMIUQC-UHFFFAOYSA-N 369.516 1.308 0 40 FDAB Cc1ccoc1C(=O)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96052230 YHHIAXUIOPPNGY-HNNXBMFYSA-N 362.426 1.316 0 40 FDAB CCN1C[C@H]2[C@@H](C1)N(Cc1cccs1)CC[C@H]2OCC(=O)N(C)C 96217070 FSRGWMXORAUPEA-GVDBMIGSSA-N 351.516 1.748 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]3C2)c1 96094160 KZRWUOWVGAVUSG-GASCZTMLSA-N 372.856 1.847 0 40 FDAB Cc1ccc(N2C[C@]3(COCCN(C(=O)N(C)C)C3)OCC2=O)s1 96240231 VCMKLFXXHAXLFJ-MRXNPFEDSA-N 353.444 1.172 0 40 FDAB Cc1cccc(CN2C[C@@H]3OCCN(c4ccnc(N(C)C)n4)[C@@H]3C2)c1 96248881 DBYKRLYSUIPCOM-MSOLQXFVSA-N 353.470 1.941 0 40 FDAB O=S1(=O)CC[C@H](COCc2cccnc2)C12CN(C1CCOCC1)C2 247293451 BUAHIZFJOILLFQ-MRXNPFEDSA-N 366.483 1.266 0 40 FDAB O=S1(=O)CC[C@H](COc2ncccc2F)C12CN(C1CCOCC1)C2 247350112 VXYNRMZLUOOPPK-CYBMUJFWSA-N 370.446 1.268 0 40 FDAB O=C(c1cc2c(nc1O)CCC2)N1CCC[C@](O)(CN2CCCC2)CC1 257340038 ZEFZQMPJDHHOJK-HXUWFJFHSA-N 359.470 1.729 0 40 FDAB COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257290713 QEANFVAMQSIEHA-MRXNPFEDSA-N 357.410 1.950 0 40 FDAB O=C(NCc1ccnc([C@H]2CCCO2)n1)c1cccc(-n2cnnc2)c1 257342649 ZPNRKRHNJZKAQY-MRXNPFEDSA-N 350.382 1.839 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2cccc(CN(C)C)n2)n1 257326071 WVRKBMRJNNPCQI-QGZVFWFLSA-N 355.442 1.372 0 40 FDAB CCCn1ccnc1CN1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257299144 ROXBDKXQNYQRTO-ZDUSSCGKSA-N 351.476 1.799 0 40 FDAB CCn1c(CCNC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)nc2ccccc21 591937434 WIGRTPFMAKFMOW-KGLIPLIRSA-N 374.441 1.164 0 40 FDAB Cc1cc(C(F)(F)F)nc(C(=O)N2CC3(CCNCC3)[C@H]3COC[C@H]32)n1 1615591911 UVYIMGHIUIOMQT-NWDGAFQWSA-N 370.375 1.644 0 40 FDAB COc1ccc(CN(C)C(=O)C[C@H]2CS(=O)(=O)CCN2C)cc1C 644336608 OZWZPGXOJQEOHX-HNNXBMFYSA-N 354.472 1.081 0 40 FDAB O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)nc(O)n2C1CC1 666809955 RAUFVSUWBJCXSJ-UHFFFAOYSA-N 352.398 1.587 0 40 FDAB Cn1cc(CN2CC[C@H](N[C@H]3CCc4ccc(F)cc43)C2)c(C(N)=O)n1 1775961702 TUSPOTDONCPRQP-RDJZCZTQSA-N 357.433 1.510 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCCN(c2ncccn2)C1 48363706 MKMJYQAFEGKXQX-HNNXBMFYSA-N 357.389 1.131 0 40 FDAB COc1ccc(COC[C@H](O)CNC(=O)c2ccc3c(c2)OCCO3)cc1 58332433 KNNFCSPERLNOFM-MRXNPFEDSA-N 373.405 1.774 0 40 FDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96098237 PJKMVOSJNUWVCZ-UHFFFAOYSA-N 357.497 1.763 0 40 FDAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](O)Cc1ccccc1 1601564569 UMYNAXQIZLITKZ-ROUUACIJSA-N 352.390 1.883 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)N(C)C1=S 8091442 SPEPESNRHTZSIQ-GHXNOFRVSA-N 350.396 1.277 0 40 FDAB CC(C)C(=O)N[C@@H](C)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12220073 OFEFMCKPXXIUTO-HNNXBMFYSA-N 372.469 1.551 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(-n2cnnn2)cc1 15393196 JFFCKRGFEBCOAV-CYBMUJFWSA-N 353.382 1.755 0 40 FDAB COc1ccc(CCNC(=O)N[C@H](CCSC)C(=O)O)cc1OC 15953494 ADRQULJQYVLJQK-GFCCVEGCSA-N 356.444 1.752 0 40 FDAB biogenic C[C@@H](Cc1ccccn1)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 19457046 LQFNIMDFTVXGNV-ZDUSSCGKSA-N 373.434 1.364 0 40 FDAB C[C@H](Cn1cccn1)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19457606 ANGTZARLHBEBRS-PBHICJAKSA-N 354.458 1.709 0 40 FDAB CCn1ncc(CN2CCc3[nH]c(-c4cnccn4)nc(=O)c3CC2)c1C 19523979 SFHVLSWPAUAUIX-UHFFFAOYSA-N 365.441 1.353 0 40 FDAB Cc1cnc2c(C(=O)N3CCO[C@H](C(=O)N4CCCCCC4)C3)cnn2c1 19747237 GTSPWKMYGZSRCF-INIZCTEOSA-N 371.441 1.281 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 19961146 XSPUHPCGZCRVBG-ZDUSSCGKSA-N 367.409 1.743 0 40 FDAB Cn1cc(/C=C/C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 643585938 DZMAWRRNOVBJIJ-CJCADHRLSA-N 353.422 1.579 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnnc(-c2ccccc2)c1 643946928 NKUWPCJCPDLJAE-LJQANCHMSA-N 354.410 1.511 0 40 FDAB Cc1nc(N2C[C@@H]3CN(c4ncnc5c4CCC5)C[C@H]3C2)nc(O)c1F 1888866367 NCTNFVWRMJDGOM-RYUDHWBXSA-N 356.405 1.481 0 40 FDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)n1 1888888095 DXXMBAUUWMQVJZ-OKILXGFUSA-N 350.426 1.515 0 40 FDAB Cn1cnc2c(N3CCN(c4nc(O)c(F)c(C5CC5)n4)CC3)ncnc21 1888901052 RWBFUTZPTBVMSM-UHFFFAOYSA-N 370.392 1.202 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nnc(C2CC2)s1 21293152 AJLWULRHMNGBEJ-QMMMGPOBSA-N 370.431 1.860 0 40 FDAB COCCC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838509 KNMRGZTZUNXFAH-UHFFFAOYSA-N 350.390 1.587 0 40 FDAB O=C(Cc1ccccn1)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565543092 VEFBPODYORADSQ-FXAWDEMLSA-N 351.406 1.135 0 40 FDAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)cn1 1565546887 GFUSWZYLVXABCB-MOPGFXCFSA-N 360.502 1.511 0 40 FDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl 2451538 RMJGVFYBEIBVDZ-NSHDSACASA-N 367.254 1.871 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 5250984 ZUXSVOUCIIKOEU-UHFFFAOYSA-N 356.378 1.764 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)C2CC(F)C2)CC1 2055747575 JEQSKAWXERRLBU-UHFFFAOYSA-N 363.433 1.962 0 40 FDAB CSC[C@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206714116 YPMRWDQPNHCSEB-CYBMUJFWSA-N 353.412 1.527 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4nn(C)c5ccccc45)C[C@H]3C2)n1 2298233196 LSSOBRYFVXFFLU-GJZGRUSLSA-N 362.437 1.880 0 40 FDAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC(C)(C)CO)ccc21 40283643 RNBVTICFQNGYHD-UHFFFAOYSA-N 358.320 1.418 0 40 FDAB O=C1CCc2ccc(OCc3noc(C(=O)NC[C@@H]4CCCO4)n3)cc2N1 20745352 OJFBDDUPBBWPNL-ZDUSSCGKSA-N 372.381 1.442 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 2654931 XKTVBQNOAKLYRB-UHFFFAOYSA-N 359.426 1.812 0 40 FDAB COCCCNS(=O)(=O)c1ccc(OCCC(C)C)c(C(N)=O)c1 4698426 ZILTVJWNADEDFD-UHFFFAOYSA-N 358.460 1.525 0 40 FDAB CCC(=O)O[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CSC(=O)CC 4887671 YQJXGTVKJFUUBN-UTUOFQBUSA-N 370.427 1.124 0 40 FDAB CCOC(=O)NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6561508 HMHUYEQCTUQJIX-UHFFFAOYSA-N 366.414 1.135 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cnn(C)c1C 17073561 XDJCYGRDOFHEJZ-JTQLQIEISA-N 356.308 1.714 0 40 FDAB Cc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(F)cc1F 32977293 MNJVUYCXFFWGTD-GFCCVEGCSA-N 369.393 1.718 0 40 FDAB C[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082312 CBWRUFIRIAFTMJ-RFHIVJSQSA-N 350.418 1.744 0 40 FDAB O=C(NCc1nnc2n1CCC2)C1CCN(c2nc3ccccc3o2)CC1 22192326 OIGOVZQZWMGDKG-UHFFFAOYSA-N 366.425 1.898 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C[C@@H](C)O1 57280275 DIUOYBCSXJOFCQ-TXEJJXNPSA-N 352.456 1.739 0 40 FDAB Cc1ccc(N2CCN(CCCN3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 633291 SPEJOOYTSCOEMD-GOSISDBHSA-N 356.470 1.934 0 40 FDAB COCCOCc1nc2n(n1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 9341481 OUSNRXINDHZNCC-ZDUSSCGKSA-N 359.386 1.272 0 40 FDAB Nc1nc(CN2CCN(CC(=O)N3CCCCC3)CC2)nc2ccccc12 22814130 NFUVNBWKSFNRJT-UHFFFAOYSA-N 368.485 1.342 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974512 MOXQFOBKBHIWSZ-AWEZNQCLSA-N 370.471 1.167 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)NC[C@@H](C(CC)CC)N1CCOCC1 58440488 QXYOAVOKAPYNGW-ZBFHGGJFSA-N 356.511 1.337 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccnc1-n1cccn1 25009481 HRDKMZVQPIWIOH-STQMWFEESA-N 353.382 1.381 0 40 FDAB Cc1c(NNC2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 109651424 FCBPJGRVJAGMFQ-UHFFFAOYSA-N 362.389 1.849 0 40 FDAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(F)cc21 108121428 XTCOTZYEXILRGB-SWLSCSKDSA-N 364.329 1.540 0 40 FDAB Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc3c(c2)OCCO3)c1 58193360 MRTDTSMHVXAQTF-UHFFFAOYSA-N 366.381 1.699 0 40 FDAB Cc1cc(=O)n2nc(N3CCC(CCN4CCOCC4)CC3)sc2n1 58156275 RZPJYEKLYDXSSF-UHFFFAOYSA-N 363.487 1.398 0 40 FDAB O=C(CCNC(=O)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 12794791 OOBCBHJARRLGRD-UHFFFAOYSA-N 358.398 1.092 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)N2CCOCC2)c1C 12735687 RJWOUSVYSQIGSE-CQSZACIVSA-N 351.447 1.505 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccc(Br)cc12 12943034 URHAYOOACGBXBK-SECBINFHSA-N 357.229 1.847 0 40 FDAB CCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209702 JUDRONCJQJDEHF-CYBMUJFWSA-N 354.428 1.210 0 40 FDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 13359991 DSNMORKVVNUMRJ-UHFFFAOYSA-N 370.333 1.580 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)CC 8767771 ULCNLVMZCBZLBW-AWEZNQCLSA-N 354.428 1.616 0 40 FDAB Cc1cnc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)s1 13945464 AVJRWVYAFLJEDU-UHFFFAOYSA-N 368.488 1.143 0 40 FDAB O=C(NC1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1)c1ccc[nH]1 65552587 VDMNJRAVRYBLGF-QGZVFWFLSA-N 367.405 1.517 0 40 FDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCOCC1 14137319 DCBHFEOFSHHWKF-CQSZACIVSA-N 369.421 1.765 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)N(C)C 14116132 MVDKDBDESGHSCU-GCZGVDRJSA-N 352.456 1.873 0 40 FDAB Cc1c(C(=O)O)sc2c1c(=O)n(CCO)c(=O)n2CCc1ccccc1 6759195 HNHTVXVDKKGYOT-UHFFFAOYSA-N 374.418 1.466 0 40 FDAB COc1cccc(CNC(=O)Cn2cnc3ccccc3c2=O)c1OC 67197230 QAYIQSMEBZEMHS-UHFFFAOYSA-N 353.378 1.730 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 68200148 KSTPICXUDWALEJ-GDBMZVCRSA-N 354.447 1.341 0 40 FDAB Cc1nnc(SCC(=O)NC(=O)c2cccn2C)n1-c1ccccc1 9368302 RYCDNASXISZMMK-UHFFFAOYSA-N 355.423 1.963 0 40 FDAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 65365692 SDVUDNSZYQHVDV-VBQJREDUSA-N 364.467 1.626 0 40 FDAB C[C@H]1C[C@@H](OC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(=O)O1 8328213 TVAITNYHYTVWEX-GZMMTYOYSA-N 361.803 1.451 0 40 FDAB C[C@@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 408497906 KCTHHYZZSWLWRO-ZYHUDNBSSA-N 364.423 1.544 0 40 FDAB CC[C@H](O)CN1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 84733467 JJZXTHDFEXEUID-INIZCTEOSA-N 361.446 1.137 0 40 FDAB CCc1c(C(=O)CN2CCN(Cc3noc(C)n3)CC2)[nH]c(C)c1C(C)=O 95959688 VPELZRACSBAJEG-UHFFFAOYSA-N 373.457 1.780 0 40 FDAB CN1CCN(c2cc(N3CCN(C)CC3)nc(-c3cccnc3)n2)CC1 89382763 CVPSHJHHRYAKTD-UHFFFAOYSA-N 353.474 1.042 0 40 FDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC(=O)N(C)C1 89662682 HOKISBQOISFJGM-RYUDHWBXSA-N 359.492 1.370 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](COc3ncccc3F)CCN2C)C1 306143332 XZGUUIOXEAWFHK-CQSZACIVSA-N 371.478 1.736 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306126553 DYXHZMWUVGCMOR-ZIAGYGMSSA-N 355.417 1.614 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306129555 IGVNSWPFRMTGNJ-WOSRLPQWSA-N 355.398 1.541 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(=O)NC1=O 79670307 RVUSHBANBDHJMU-NJZAAPMLSA-N 362.382 1.286 0 40 FDAB CCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 32748027 LRAJTGDYUBKUFG-UHFFFAOYSA-N 367.452 1.415 0 40 FDAB Cc1ccc(C)c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 34867672 MMBXAIYILFXVFA-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2cnccn2)CC1 70898196 KJQPHPVZBLVTHV-UHFFFAOYSA-N 359.455 1.187 0 40 FDAB O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@@H](c2ccccc2)C1 521971729 HTSIASAECZEOFQ-MRXNPFEDSA-N 359.451 1.766 0 40 FDAB COc1ccccc1OCC(=O)NCC1CCN(c2ncccn2)CC1 43977239 WPUKUDBQKDZXIP-UHFFFAOYSA-N 356.426 1.897 0 40 FDAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1CCN1CCOCC1 223126621 ZZQKIMIVRWNTQJ-IRXDYDNUSA-N 357.483 1.714 0 40 FDAB Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N1CCN(C)CC1 225432484 XWUMURHGGIPCMC-UHFFFAOYSA-N 374.466 1.578 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225522137 KLUWYNCBQMFSKD-KGLIPLIRSA-N 368.437 1.753 0 40 FDAB COc1ccccc1C(=O)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436094 OTAKNLRRUPMZDA-OAHLLOKOSA-N 359.426 1.436 0 40 FDAB biogenic,in-vitro CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 225708540 YBCFGJDVSRBPEO-UHFFFAOYSA-N 355.485 1.580 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)n1 44901889 BFHCJZWABQDRHZ-UHFFFAOYSA-N 370.800 1.785 0 40 FDAB Cn1nnc2c1[C@H](COCc1cccnc1)CN(Cc1nccs1)C2 96060733 OMEWOUNZRBUHLJ-AWEZNQCLSA-N 356.455 1.983 0 40 FDAB COc1ccc(-c2nnc(NC(=O)CSc3nnc(N)s3)o2)cc1 96318906 XNGQEFXDOAGAPN-UHFFFAOYSA-N 364.412 1.910 0 40 FDAB O=C(c1ccsc1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96159153 HQVHPOHXOPZGMK-UHFFFAOYSA-N 358.423 1.576 0 40 FDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1nccs1)N1CCCC1 96057954 CRCJNWKKVBRFEP-JJRVBVJISA-N 351.472 1.514 0 40 FDAB O=C1COC2(CCN(C(=O)N3CCCC3)CC2)CN1Cc1cccnc1 96159098 JOELJNZUFJNRIJ-UHFFFAOYSA-N 358.442 1.491 0 40 FDAB CN1CC[C@@H](NC(=O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)C1=O 583623794 XRCRYYRRGURFTK-GDBMZVCRSA-N 374.489 1.354 0 40 FDAB Cc1cccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)c1 96240967 KOPXNFRQGAIRJH-GOSISDBHSA-N 372.465 1.723 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)c4ccco4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96062583 QHJCRZSNGREYFS-OXJNMPFZSA-N 359.470 1.932 0 40 FDAB CCN1C[C@]2(CC1=O)CN(C(=O)NC(C)C)CCN(C(=O)C(C)C)C2 96262168 TYSOUYHUHZUVOS-SFHVURJKSA-N 352.479 1.143 0 40 FDAB O=C([C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 247860535 MIDPMHIKWHOPCP-IBGZPJMESA-N 370.453 1.315 0 40 FDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2cccn2C)cn1 248166191 ZWMWTHQAHDWCJD-INIZCTEOSA-N 357.458 1.170 0 40 FDAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCOC[C@@H]3c3nc[nH]n3)cnc21 585082176 WQKJDVPHRFFOAA-CYBMUJFWSA-N 369.429 1.598 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257205343 AYPITJHTORHWGZ-MRXNPFEDSA-N 356.430 1.290 0 40 FDAB COc1cccc(CC(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)c1 257322695 WGZYNZZTEKYWCR-KRWDZBQOSA-N 357.410 1.594 0 40 FDAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCn2nnc(CO)c2C1 655400528 CYRBENPTOMRBHM-UHFFFAOYSA-N 368.393 1.613 0 40 FDAB COc1cnccc1N1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 684527030 KSSKUMLSKCLROA-HNNXBMFYSA-N 366.421 1.865 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)nc1 280161736 WZLGBHJGXUSNGM-LBPRGKRZSA-N 358.364 1.996 0 40 FDAB Cc1nccn1CCC(=O)N1CCOC[C@@](O)(COc2ccccc2)C1 585277653 OETVHRNOIBOYJJ-LJQANCHMSA-N 359.426 1.251 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cc3cccc(F)c3o2)C1 685943237 UBBNKZHIUAIRFA-OUCADQQQSA-N 358.373 1.985 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2sccc2-n2cnnn2)[C@@H]1C 58763757 BPJVWQUSLTUVDH-UTUOFQBUSA-N 363.443 1.822 0 40 FDAB CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 5053042 AUGQEEXBDZWUJY-JUKXBMAYSA-N 366.410 1.125 0 40 FDAB in-man CN1C[C@@H](C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)CC1=O 12187019 ZNCLMZARSGTHKF-AWEZNQCLSA-N 355.398 1.316 0 40 FDAB COc1cccc(CNS(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 13067339 GNFVZGAXUITESA-UHFFFAOYSA-N 351.380 1.881 0 40 FDAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c2c(C)nn(C)c2n1 14815090 CQDFRVSERSDWNX-UHFFFAOYSA-N 351.414 1.338 0 40 FDAB O=S(=O)(c1cccnc1)N1C[C@H](CN2CCOCC2)c2ccccc21 19374941 OUVRAMIWQWPHMZ-HNNXBMFYSA-N 359.451 1.706 0 40 FDAB CCc1nc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc2n1CC 19523200 CVUISAKNJYMDHH-AWEZNQCLSA-N 371.485 1.967 0 40 FDAB N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1 3789797 IKZACQMAVUIGPY-HOTGVXAUSA-N 367.405 1.996 0 40 FDAB investigational COc1nn(C)cc1-c1nnc(SCC(=O)NC2CCCCC2)n1C 12422570 PEFPKYJKZKYLGI-UHFFFAOYSA-N 364.475 1.765 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)c1cnn3c1N[C@@H](C)C[C@@H]3C(F)(F)F)C2 13228099 GLUOPOVBSBKEHE-GZMMTYOYSA-N 369.351 1.747 0 40 FDAB O=C(c1cccc(F)c1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888908446 ULWHLKZLXGGJMV-ZIAGYGMSSA-N 352.373 1.472 0 40 FDAB CCc1ncnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1F 1888941641 TXHFHRVRKQKZPV-UHFFFAOYSA-N 354.393 1.480 0 40 FDAB O=C([C@H]1CN(c2ncnc3ncccc23)CCO1)N1CCC(F)(F)CC1 2086952847 VOVQPLSVAODJNN-CYBMUJFWSA-N 363.368 1.488 0 40 FDAB COc1cnc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)nc1 1565556606 WXRVVSAVSDIBIC-GOEBONIOSA-N 358.398 1.051 0 40 FDAB O=C(c1csnn1)N1CCCn2c(CNc3cccnc3)nnc2C1 1565551356 PLMNIDJNYQNABS-UHFFFAOYSA-N 356.415 1.183 0 40 FDAB Cn1c(C(=O)N2CCc3c(COCC4CC4)cncc3C2)cccc1=O 1565547451 JBNAAGYRKXSRMC-UHFFFAOYSA-N 353.422 1.905 0 40 FDAB CSc1nnc(C)c(=O)n1COC(=O)/C=C/c1ccc2c(c1)OCO2 4495806 DRKFQECFSGWQNN-GQCTYLIASA-N 361.379 1.611 0 40 FDAB CC1CCN(C(=O)Cn2cnc3c(nnn3-c3cccc(F)c3)c2=O)CC1 5056613 MOOHAQCXULONFM-UHFFFAOYSA-N 370.388 1.375 0 40 FDAB COCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1 12007671 TYXZNIZIRXTWAI-UHFFFAOYSA-N 357.370 1.924 0 40 FDAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1cccc(F)c1)CC2 2055732722 VNHKFWYFVJUZFX-GFCCVEGCSA-N 353.419 1.711 0 40 FDAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)c1cccc2cccnc12 575619973 NXAIMGQLLXSVIZ-UHFFFAOYSA-N 370.434 1.647 0 40 FDAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)N2 20407553 NXDMLOSQADNDSM-SFHVURJKSA-N 374.418 1.779 0 40 FDAB COc1cc2c(cc1OC)[C@H](c1c(O)n(C)c(=S)n(C)c1=O)NCC2 20410489 QIDQIIHIQRETDZ-CQSZACIVSA-N 363.439 1.411 0 40 FDAB biogenic Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCO)nc21 32093347 JCJVIAOYPROJSA-UHFFFAOYSA-N 353.430 1.094 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 21058672 JVPFZDZYPCOWJS-HUUCEWRRSA-N 357.458 1.885 0 40 FDAB CCOC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21 1437539 QLVLWLDYGPQKPL-UHFFFAOYSA-N 354.384 1.774 0 40 FDAB Cc1cc(C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2n1 2622914 PVYAYVQZXVKBBX-UHFFFAOYSA-N 369.421 1.829 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1 11998408 YDPWNADMRHXIRY-LBPRGKRZSA-N 372.468 1.174 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNc3nn[nH]n3)o2)c1 7602325 YFUXGDDKGRTSTH-UHFFFAOYSA-N 357.326 1.645 0 40 FDAB CC(C)COC[C@@H](O)CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1 32927883 GWKFXXMUAVMKMX-KRWDZBQOSA-N 363.458 1.868 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCCO2 9417367 ZBVSHPVCJCSKBY-UHFFFAOYSA-N 370.361 1.945 0 40 FDAB Cn1ccnc1COc1ccc(C(=O)NCCCCN2CCOCC2)cc1 53450512 ASWUMJWAQPHRPP-UHFFFAOYSA-N 372.469 1.841 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)NNc3ccc(C(F)(F)F)cn3)cc2o1 12557649 HRTMYWSLYCJDSD-UHFFFAOYSA-N 374.300 1.840 0 40 FDAB O=C(Nc1nc[nH]n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 23142550 JEMIINPNHQCYDS-UHFFFAOYSA-N 369.834 1.885 0 40 FDAB C[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@H]2CC[C@H]1C2 103159070 XTYMRHPUEMVNQC-CBBWQLFWSA-N 360.458 1.447 0 40 FDAB COc1ccc(CN2CCN(C(=O)CN3CSCC3=O)CC2)cc1F 23641359 IVOXZGWCUDFCMV-UHFFFAOYSA-N 367.446 1.011 0 40 FDAB COc1ccc(OC)c2c1CN([C@H](C)c1nc(N)nc(N(C)C)n1)C[C@@H]2O 105722231 OYQCEEJKOREFHH-PWSUYJOCSA-N 374.445 1.147 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC2(C(=O)OC)CCCCC2)cc1 24484062 KTXNJYAAGGGJMP-UHFFFAOYSA-N 355.412 1.627 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 25439003 OGCFCWXTFHJTRB-HNNXBMFYSA-N 373.409 1.154 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(N2CCOC2=O)c1 43840429 ZCUSIGWYLDMKPO-UHFFFAOYSA-N 364.361 1.992 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 43822754 DOVVFFXQLUBZAJ-QGZVFWFLSA-N 361.490 1.270 0 40 FDAB COc1ccc(NC(=O)NCC(C)(C)N2CCOCC2)cc1NC(C)=O 44036093 HCNCELSQGXAQBD-UHFFFAOYSA-N 364.446 1.886 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ncc(Cl)cc1Cl 35362531 CVBGNHXXMWMXRM-UHFFFAOYSA-N 367.240 1.939 0 40 FDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCNC(=O)c1ccco1 27135976 UJBDQCRHPMGGSO-UHFFFAOYSA-N 372.377 1.560 0 40 FDAB CN(C)CCCNC(=O)CCc1nc2ncc(Br)cc2[nH]1 79487671 YXBOLXIRAPVNEW-UHFFFAOYSA-N 354.252 1.721 0 40 FDAB NS(=O)(=O)N1CCC(C(=O)OCc2c(F)cccc2Cl)CC1 44918624 VIIHWZGMOBNNEP-UHFFFAOYSA-N 350.799 1.438 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c(=O)oc2ccccc21 28068390 FZYZZRFLGDXCRP-UHFFFAOYSA-N 373.434 1.865 0 40 FDAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnnn1)c1ccccc1 12737530 GOPOUPUGXVBIRV-ZDUSSCGKSA-N 350.382 1.803 0 40 FDAB O=C1NC(=O)C2(CCN(c3ncnc4sc5c(c34)CCCC5)CC2)N1 12795108 MKUUTKYJJSTELS-UHFFFAOYSA-N 357.439 1.749 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 11037074 JSWFTTOGWFHELM-UHFFFAOYSA-N 360.391 1.080 0 40 FDAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 92552351 IRMMGYKRVHDUOR-UHFFFAOYSA-N 365.393 1.248 0 40 FDAB CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 14135330 KDJQUIYDVWGSLI-AWEZNQCLSA-N 367.858 1.844 0 40 FDAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3cc(F)ccc3c2=O)c1 14236638 ZBLICSMDFXXHMU-UHFFFAOYSA-N 361.398 1.834 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F 4999588 NIIJBMNBMGMEIQ-UHFFFAOYSA-N 365.386 1.826 0 40 FDAB CN(Cc1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 408705331 CHJLGBVVWXYYEP-UHFFFAOYSA-N 352.412 1.366 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)c1C 7737534 IQDSPSSTNVYNFS-KSSFIOAISA-N 364.467 1.350 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnnn1C1CC1 8404574 RGHMLHXSYPICEI-UHFFFAOYSA-N 361.427 1.530 0 40 FDAB C[C@H]1OCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 95457481 ZOYYBSAXMRYKDU-DGCLKSJQSA-N 358.485 1.574 0 40 FDAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccn2c(=O)[nH]nc12 95456911 XBTUXSXFZYXYAX-ZDUSSCGKSA-N 371.784 1.211 0 40 FDAB CS[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1N(C)C 89314144 FSGFFWODVDENCJ-CABCVRRESA-N 371.528 1.055 0 40 FDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H](C)n2cncn2)on1 548354334 DOBBEAYBOJFMOS-RDBSUJKOSA-N 350.398 1.207 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(CC)cc43)[C@@H]2C1=O 33538948 KXLTXXAKZWEYMN-KHAHRTFGSA-N 355.438 1.789 0 40 FDAB Cn1nc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c(=O)c2ccccc21 530738968 NAQSQZWXBIHQEN-AWEZNQCLSA-N 356.426 1.488 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c1C 32899224 RVAHHKKNRVRCNT-TXEJJXNPSA-N 351.447 1.647 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2)cc1OC 36101806 KXMTVUWMCKCHIR-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 70635583 UNVSUIGOEXKKEE-UHFFFAOYSA-N 356.304 1.973 0 40 FDAB CN(C(=O)COc1ccc2ccc(=O)oc2c1)[C@]1(C)CCS(=O)(=O)C1 36594815 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C[C@@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 678024996 DLAMHZRBEXHYRI-WMLDXEAASA-N 370.446 1.718 0 40 FDAB CC(C)COc1ncccc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 1775959826 ADFIKKMYLQVNHT-UKRRQHHQSA-N 359.430 1.879 0 40 FDAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2 585103745 ZSHNIRSUBQXJLE-HNNXBMFYSA-N 368.499 1.817 0 40 FDAB Cc1ccnn1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287712 BZXQMASEPVHUDE-NLWGTHIKSA-N 355.438 1.728 0 40 FDAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)cc1 585101070 AWXRRMZRBHXDHM-UHFFFAOYSA-N 355.438 1.954 0 40 FDAB CCOC(=O)c1sc(NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1C 70019409 ISWCIKFILYZMHP-UHFFFAOYSA-N 365.415 1.165 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCCc1nc(N)no1)c1ccc(Cl)cc1 72298231 CRLHDGOEHXYTBZ-LBPRGKRZSA-N 351.794 1.231 0 40 FDAB Cn1cc(N2[C@@H](C(=O)O)CC[C@@H]2C(=O)NCCOc2ccccc2)cn1 630657154 UKMKSBCEWQBWQX-HZPDHXFCSA-N 358.398 1.037 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)ccc1OC 13581447 HHDYYXRJLPZAHV-UHFFFAOYSA-N 369.487 1.113 0 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Cc1cc(NC(=O)c2[nH]nc3c2CCCC3)n([C@@H]2CCS(=O)(=O)C2)n1 95478439 UGHUTHKOFPMPMW-LLVKDONJSA-N 363.443 1.405 0 40 FDAB COc1ccccc1NC(=O)CCN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 95449877 JBAAVTAVWKTNMZ-MJGOQNOKSA-N 374.529 1.982 0 40 FDAB C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccccc1C(F)(F)F 95997653 BGFCTGPQQJMMDD-IINYFYTJSA-N 358.360 1.939 0 40 FDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)N1 89783419 POCAZWUCYIEWLB-OLZOCXBDSA-N 351.790 1.228 0 40 FDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408624520 QPSOVUHCRDHLQR-AWEZNQCLSA-N 370.471 1.309 0 40 FDAB CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2N)CC1 409171997 AKXRSNUITZWTET-UHFFFAOYSA-N 366.878 1.178 0 40 FDAB COCCn1nnnc1[C@H](C(C)C)N1CCN(c2ccc(F)cc2)CC1 35311200 GAKJMDIHEOOGQO-KRWDZBQOSA-N 362.453 1.978 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 72401985 USOSPYJZVNXVCV-KBPBESRZSA-N 351.447 1.530 0 40 FDAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccc(F)cc2)CC1 70461881 HCHFXFTUOUIXQK-UHFFFAOYSA-N 366.400 1.951 0 40 FDAB O=C(CN(C(=O)c1csnn1)C1CC1)NCc1ccc2c(c1)OCO2 35291126 UFUBJRSWGJJWAM-UHFFFAOYSA-N 360.395 1.188 0 40 FDAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218090112 JRGAFDLKXTYRRG-DZKIICNBSA-N 357.497 1.905 0 40 FDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)[C@H]1CO 72321449 XDHPUVRVOFGPMW-SJLPKXTDSA-N 358.369 1.969 0 40 FDAB biogenic,in-vitro O=C([C@H]1CCCO1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 49343645 NWRNWFSBFGXOJJ-OAHLLOKOSA-N 354.414 1.443 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 223297724 UHMUJGGDJNLCBT-UHFFFAOYSA-N 366.395 1.369 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NC[C@@H]1CC(=O)N(c3ccccc3)C1)C2 225522706 GVPVUZCOHOAQTE-GJZGRUSLSA-N 352.438 1.992 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](Oc2cccnn2)C1 225409953 LYSLODFNWJBXIJ-AWEZNQCLSA-N 365.393 1.257 0 40 FDAB CC(C)NC(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225340 WOGMYLNIVNKPBX-SFHVURJKSA-N 359.430 1.427 0 40 FDAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248061746 ZBWNBYKUNFBPOB-XGNBGGDFSA-N 357.454 1.619 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257299870 RRZXCDORFHQCKI-GOSISDBHSA-N 353.426 1.681 0 40 FDAB COc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 252478962 AYDFIUNKLJTHSS-QGZVFWFLSA-N 367.405 1.975 0 40 FDAB C[C@](CC(=O)N1CCN(CCO)CC1)(C(=O)O)c1ccc(Cl)cc1 634939942 SGFPUDQNXQZUFH-QGZVFWFLSA-N 354.834 1.209 0 40 FDAB NC(=O)c1cc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F 671456484 MGSBWHYWWKYDRM-MAZHCROVSA-N 365.405 1.708 0 40 FDAB Cc1noc([C@H]2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)C2)n1 671538978 CFZPNSPKSSLLDW-ZDUSSCGKSA-N 366.443 1.745 0 40 FDAB COC(=O)CCN1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1=O 602920205 SCPBIPXFBBWBMN-VYDXJSESSA-N 368.380 1.548 0 40 FDAB COc1ccc(Cn2nnc(C(=O)N[C@H](C)c3nccn3C)c2C)cc1 620609155 BPNKHHGEIVTTHY-GFCCVEGCSA-N 354.414 1.868 0 40 FDAB CC[C@@H](NC(=O)N1CCc2nnc(O)cc2C1)c1nnc2n1CCCCC2 1116677419 ASTDRVVGOLUMQB-CYBMUJFWSA-N 371.445 1.719 0 40 FDAB CCc1nnc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccccc2)o1 563530498 JZSOXFVYKPYIBA-SJORKVTESA-N 358.398 1.237 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@@H]12 585109487 UGRPXFZJGZYQBL-FMKPAKJESA-N 364.467 1.520 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC(c2nccnc2Nc2ncccn2)CC1 585292696 QZWDOJWTOLBAFE-HWKANZROSA-N 367.457 1.834 0 40 FDAB Cc1nc(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCO4)O[C@@H]3C2)cs1 585109181 ZBADJUKJOWBXLY-IACUBPJLSA-N 351.428 1.235 0 40 FDAB COc1ccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cc1 585112221 LOKIZGLFAMYLAX-MRXNPFEDSA-N 364.471 1.388 0 40 FDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 95465271 KVJUBTPFHXOBLI-INIZCTEOSA-N 363.439 1.648 0 40 FDAB O=C1NC[C@H](C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)c2ccccc21 1638882103 ISGSTBPRZFYSOI-DLBZAZTESA-N 361.405 1.732 0 40 FDAB O=C(c1csnn1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153407 CUEYCFPFSFUZAS-INIZCTEOSA-N 362.386 1.325 0 40 FDAB CCCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 5237883 QVWVKSIANJKSJC-UHFFFAOYSA-N 362.411 1.650 0 40 FDAB COc1cccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 12913405 GEIZTSNDPPAZGM-UHFFFAOYSA-N 365.389 1.706 0 40 FDAB COc1ccc(C(C)=O)cc1COC(=O)C1CCN(S(C)(=O)=O)CC1 14172083 KTYGDAGVIYHKIG-UHFFFAOYSA-N 369.439 1.613 0 40 FDAB O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCNC3)ncc2C1 19375474 XLKPGSRTXSPYIN-HNAYVOBHSA-N 364.449 1.752 0 40 FDAB Cn1cc(-c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)on2)cn1 19664734 MNZXAFSRTHWBPX-HNNXBMFYSA-N 351.366 1.128 0 40 FDAB CC(=O)N1CCc2nnc([C@H]3CCCN3C(=O)CC3CCCC3)n2CC1 19710711 HSOWYBVTSAXNJP-MRXNPFEDSA-N 359.474 1.927 0 40 FDAB Cc1nc([C@H]2CCCN(CC(=O)N3CCCC3)C2)ncc1C(=O)N(C)C 19766312 PRHMSEQENQVXAI-HNNXBMFYSA-N 359.474 1.289 0 40 FDAB Cn1cc(-c2n[nH]cc2C(=O)N2CCC[C@H](N3CCOCC3)CC2)cn1 614436107 OQNPQYVUAVQGBN-HNNXBMFYSA-N 358.446 1.137 0 40 FDAB CCN1CCN(C(=O)NCC[C@H](CCO)c2ccsc2)C(=O)C1=O 618257694 ZXWKBYCIAZMCOR-GFCCVEGCSA-N 353.444 1.005 0 40 FDAB CSc1ncccc1C(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1 244942690 CVEKGIQCUXAZFC-UHFFFAOYSA-N 369.512 1.139 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888850057 BMICAAJNAFQCQL-ZIAGYGMSSA-N 352.442 1.645 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)c1C 1888869712 URZWUTPNONIMQO-HDICACEKSA-N 372.494 1.991 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3ccc(=O)n(C(C)C)n3)CC2)nc1 1889143354 WKTJTVYIRKNNJZ-UHFFFAOYSA-N 373.413 1.306 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCCC1 807099 RRVSNEYMRCKUPK-UHFFFAOYSA-N 355.373 1.734 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)cc1 2711174 BDDAAVAZLBMWJK-JTQLQIEISA-N 350.396 1.292 0 40 FDAB C/C=C\C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072232 UOSROCVRXLAOLZ-HYXAFXHYSA-N 351.410 1.642 0 40 FDAB CC1(C)Cc2c(sc3[nH]c(=O)n(NC(=O)c4cccnc4)c(=O)c23)CO1 15083613 AMBPZNXLPGHZPS-UHFFFAOYSA-N 372.406 1.382 0 40 FDAB O=C(NCC(=O)N1CCC[C@@H](Oc2ccncn2)C1)OCc1ccccc1 575607413 CIMZGFXDEQTDSH-MRXNPFEDSA-N 370.409 1.773 0 40 FDAB O=C(NC[C@@H]1COCCO1)c1occc1CS(=O)(=O)c1ccccc1 40156061 QNJFZZRELHEANX-CQSZACIVSA-N 365.407 1.399 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2cccnc2)c1)N[C@H]1CCS(=O)(=O)C1 32103115 BXFLISLAYZLUIZ-HNNXBMFYSA-N 374.422 1.643 0 40 FDAB CC(C)CCNC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 20721140 ODRYKFZXXBWVNQ-UHFFFAOYSA-N 370.453 1.615 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(NS(C)(=O)=O)CC2)cc1 11717407 VIAYGIHXRQSGAD-LBPRGKRZSA-N 367.471 1.230 0 40 FDAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)[C@H]1CCS(=O)(=O)C1 32796680 JVEJDAMDGPKTQL-LBPRGKRZSA-N 356.407 1.794 0 40 FDAB O=C(CNC(=O)c1ccncc1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 32828017 QFUQTMFWRVVRPG-MRXNPFEDSA-N 368.393 1.568 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 7780967 IEEAMJCZWGMQQI-SNVBAGLBSA-N 362.354 1.066 0 40 FDAB Cc1ccccc1CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 8775184 HPKSDPHKAXKZPL-UHFFFAOYSA-N 354.453 1.463 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 100748194 LIVGVRONGLZGGN-YQQAZPJKSA-N 358.486 1.986 0 40 FDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)cc2n1 100138068 ADXUIFPIRLMXSS-GFCCVEGCSA-N 352.398 1.807 0 40 FDAB O=C1COc2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)ccc2N1 54016596 SOEWOGUZFQAGMK-CYBMUJFWSA-N 353.382 1.206 0 40 FDAB COc1cccc(CN(C)C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 47160650 QPJVMTDJXXLWIO-UHFFFAOYSA-N 373.457 1.621 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 57767922 XPRRCRYTSBGYKX-LLVKDONJSA-N 356.382 1.174 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609626 KAUBUKGCWSPEIV-CYBMUJFWSA-N 372.462 1.519 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1 61721766 BNQNYVKTQXMXIX-UHFFFAOYSA-N 359.367 1.063 0 40 FDAB Cc1cccc(C)c1NC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 43357871 SJFNFXLJMPBDKJ-HUUCEWRRSA-N 369.487 1.864 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)ccc1F 26539615 IJSGIXXBAOTHQK-UHFFFAOYSA-N 362.342 1.905 0 40 FDAB CN(C)C(=S)/N=c1/ss/c(=N\S(=O)(=O)c2ccccc2)n1C 104277090 SBKWMFIUFUWODE-KPGXXQICSA-N 374.538 1.185 0 40 FDAB CCN(CC(=O)N(C)C)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 58354831 HKISWWGASHXRJB-UHFFFAOYSA-N 358.398 1.008 0 40 FDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cn1 36391270 XGRPTVHQYGPZQB-UHFFFAOYSA-N 351.384 1.720 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)nn12 12886832 YMYCVSDVJZMKEV-IGHBBLSQSA-N 359.430 1.919 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NNc1ccc(F)cc1F 12815655 FYLDAYZEFJVSJQ-UHFFFAOYSA-N 358.322 1.977 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CCc2ccccc2)c(=O)[nH]c1=O 3423002 SJRVJRKJAFJCEY-UHFFFAOYSA-N 358.442 1.905 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)NCc1ccco1 3504069 FMKRAJAHUVUREP-UHFFFAOYSA-N 358.383 1.373 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)CC(C)(C)CC(=O)O)c1 13000177 AOGDJVCJQYIHBC-UHFFFAOYSA-N 358.416 1.472 0 40 FDAB Cc1nc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cs1 306136998 QIPNBKFGOZLYLN-CQSZACIVSA-N 355.489 1.144 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(C(=O)O)CC3)ccc21 13425618 RRWCRXZTHJGHTD-UHFFFAOYSA-N 366.439 1.336 0 40 FDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5065489 MDBTXFSBABTISW-KRWDZBQOSA-N 358.354 1.530 0 40 FDAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(CCN1CCCCC1)C2=O 4346619 XNMDDEKYXHIICS-SFHVURJKSA-N 354.454 1.965 0 40 FDAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1C 6435886 JHCYEOMVIAFFPN-GFCCVEGCSA-N 363.414 1.694 0 40 FDAB CCOC(=O)C(NC(=O)COc1ccc2ccccc2c1)C(=O)OCC 14199823 PSFDVBORHMSMNR-UHFFFAOYSA-N 359.378 1.830 0 40 FDAB NC(=O)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 14281109 NARJHAOKNBVWHD-KRWDZBQOSA-N 362.389 1.930 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)OCCCO2 7012695 NKTVXDJOSBCWCN-UHFFFAOYSA-N 372.377 1.764 0 40 FDAB NC(=O)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1 8747541 MLKHEYSJZXAAIO-UHFFFAOYSA-N 350.850 1.779 0 40 FDAB Cc1occc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7550525 KKFWXULWHYVROV-UHFFFAOYSA-N 352.293 1.778 0 40 FDAB Cc1nn(Cc2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1 7569854 KRCWWMMJYLZHSI-UHFFFAOYSA-N 353.419 1.708 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 7946757 HRQZLMBDNDAOKB-LBPRGKRZSA-N 374.484 1.090 0 40 FDAB COc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1 7981940 UHRDLTFJCJLFNC-UHFFFAOYSA-N 352.383 1.798 0 40 FDAB O=C(C[C@@H](CN1CCN(c2ncccn2)CC1)C(=O)O)Nc1ccccc1 71281364 USHYEJQCQIRGNV-HNNXBMFYSA-N 369.425 1.328 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CN(C)[C@H](CO)C(C)(C)C)CC2 84169103 IVXGWYGTPZULDJ-GOSISDBHSA-N 364.486 1.927 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20456791 XIILJNOEMHLYIR-DOTOQJQBSA-N 367.515 1.642 0 40 FDAB CCCn1nc(C(=O)NC[C@H](Cc2ccc(C)cc2)C(=O)O)ccc1=O 95970691 KYYKCZGPGZAVFL-HNNXBMFYSA-N 357.410 1.635 0 40 FDAB O=C(Cc1ccccc1Br)N1CCOC[C@H]1c1ncon1 95981302 COXVNXMOTKZQPL-LBPRGKRZSA-N 352.188 1.975 0 40 FDAB O=C(c1cnccn1)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95959877 SGUUQZLSHHABDT-SFHVURJKSA-N 365.437 1.430 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)N1Cc3ccccc3[C@H](n3cccn3)C1)CC2 89740855 OJWUMPDZUJNPQV-FUHWJXTLSA-N 362.437 1.977 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(F)cc1 113946667 JXVHXGYUUXFQNQ-IOASZLSFSA-N 369.462 1.743 0 40 FDAB Cc1nc2c(c(N)c1-c1ccccc1)c(=O)[nH]c(=O)n2C[C@H]1CCCO1 20674471 LKNJLCMBBWYHJE-CYBMUJFWSA-N 352.394 1.821 0 40 FDAB COc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@@H]3C2)c1 306124327 BMSOCLWSKUNXNT-CVEARBPZSA-N 369.469 1.729 0 40 FDAB Cc1cc(=O)c(OCC(=O)N[C@H](c2ccccc2)c2nccn2C)c[nH]1 524735805 ZGGZVWNLFFXBJE-GOSISDBHSA-N 352.394 1.701 0 40 FDAB CC(C)c1cc(NC(c2nccn2C)c2nccn2C)n2ncnc2n1 528127148 BYMRJQWAIUEELP-UHFFFAOYSA-N 351.418 1.916 0 40 FDAB CCOC(=O)C[C@H](c1ccc2nccnc2c1)c1oc(CO)cc(=O)c1O 72324451 JBUSYDPHMOWTIB-CYBMUJFWSA-N 370.361 1.866 0 40 FDAB biogenic COc1ccc(CNS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 223332493 DKMGDLPOGHRIJI-UHFFFAOYSA-N 362.407 1.927 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 45865883 CXDHXOQPYDAVRR-UHFFFAOYSA-N 369.420 1.678 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 223774756 JWNMJVKYWRJCQR-UHFFFAOYSA-N 360.501 1.572 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1cnc2ccccc21 96345153 UMASYOMUEIFUHT-UHFFFAOYSA-N 365.437 1.678 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)Cc1ccccc1)C2 96262111 JGLQHEBIWNCEBS-FQEVSTJZSA-N 357.454 1.158 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccc(OC)cc21 331563852 JRJKUHVDZNVJBL-DZGCQCFKSA-N 352.456 1.265 0 40 FDAB CCS(=O)(=O)C[C@]1(c2ccc(Br)cc2)OC[C@H](CO)O1 96531775 ZXNQLFJLXXQDJT-STQMWFEESA-N 365.245 1.444 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(CN(c3ccsc3)C(=O)CN2C)C1 96238215 TZVOINGRNVEOAO-INIZCTEOSA-N 371.528 1.601 0 40 FDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)COc1ccccc1)CCC2 96259358 ZCXOIKSTYVMMBM-UHFFFAOYSA-N 368.437 1.817 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1 247824506 JAEYWLBLVSKYKG-AWEZNQCLSA-N 364.396 1.556 0 40 FDAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]21)c1ccccc1 245482298 FVGRNRPWPWEDPR-BHIYHBOVSA-N 373.478 1.507 0 40 FDAB COc1nc(OC)nc(N2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)n1 257208675 BNDKPCKCLKZPAG-LBPRGKRZSA-N 354.374 1.410 0 40 FDAB CCc1noc(C)c1C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257234511 GTVKENBYLDGGHF-JTQLQIEISA-N 352.416 1.302 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)ncn1 257314020 UVBDFCCXNVVJHR-HNNXBMFYSA-N 352.398 1.530 0 40 FDAB CN1CCN([C@H]2CCN(C(=O)c3ccccc3Cl)CC[C@@H]2O)CC1 257278482 OCKZXWWEGAKHEW-IRXDYDNUSA-N 351.878 1.553 0 40 FDAB COCCOC1CCC(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 640868384 FUUDVUNMRLTXEM-GNBAHCQZSA-N 354.491 1.312 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 644037253 HFJYRUJVPUSKSF-LJQANCHMSA-N 356.426 1.284 0 40 FDAB C[C@@H](C(=O)N1Cc2cnn(C)c2CC(C)(C)C1)n1cnc2c(N)ncnc21 663211749 XXPQVICWOYYDMK-NSHDSACASA-N 368.445 1.314 0 40 FDAB Cc1cn2c(CN[C@H]3CCCN(c4ncc[nH]c4=O)C3)c(C)nc2s1 681916320 RILXRTSSZPKUBW-ZDUSSCGKSA-N 358.471 1.855 0 40 FDAB CC(C)[C@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)N1CCOCC1 635173819 DMJSQLXGMWAVTH-ZDUSSCGKSA-N 361.364 1.893 0 40 FDAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)C3CCCCC3)C2)cc1 96121897 AJFOLTDMFAXCIJ-UHFFFAOYSA-N 373.496 1.816 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)cn1 585099000 AETIGXSPZPCXHV-MRXNPFEDSA-N 357.458 1.891 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@H](Cc2ccccc2Cl)C(=O)O)cn1 547880242 CQKFOOFFXLLUQQ-NSHDSACASA-N 357.819 1.295 0 40 FDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 6734650 WVYALDPXMBAUOW-JTQLQIEISA-N 361.261 1.596 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1COc2ccccc2O1 5170132 BIKBZEOHTFUHNW-CYBMUJFWSA-N 371.345 1.528 0 40 FDAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC[C@H]3CCCO3)n2)c(C)o1 12183797 AHCZYDSMRGFFFS-WCQYABFASA-N 360.414 1.559 0 40 FDAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC2(CC=CNC2=O)CC1 12740279 XHHYLIRSDKFUHC-UHFFFAOYSA-N 360.386 1.391 0 40 FDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)c2n[nH]cc2Cl)CC1 19573654 XETOANMBVTUHIZ-UHFFFAOYSA-N 368.846 1.881 0 40 FDAB Cn1c(=O)cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)[nH]c1=O 19666144 KJYMIQRRLUXHRL-UHFFFAOYSA-N 367.390 1.931 0 40 FDAB NC[C@@H]1CCCCN1C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1 521394602 SYGMKLIPGBNVOP-JTQLQIEISA-N 357.336 1.892 0 40 FDAB C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(C)c(=O)c2S1 4107733 ONBWYZGZQILEDQ-ZJUUUORDSA-N 355.485 1.204 0 40 FDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 15931223 HWEMZTDCJDUZFE-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB COC[C@@H](C)NC(=O)CN1CCC(c2ccc(C(=O)N(C)C)cn2)CC1 19705824 HTFXTOHWAXQHOZ-CQSZACIVSA-N 362.474 1.114 0 40 FDAB CN1CCC[C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 575616974 OUJITAPHVNBPLA-LBPRGKRZSA-N 371.407 1.922 0 40 FDAB Cc1cc2c(N3C[C@H]4CN(c5nc(C)c(F)c(O)n5)C[C@@H]4C3)nccn2n1 1888897901 IAFPZMKZEWYLCK-STQMWFEESA-N 369.404 1.553 0 40 FDAB Cn1cnc2ncnc(N3CC[C@H](COc4cc5c(nn4)CCC5)C3)c21 1888901041 OULWDLOFDAVPEM-LBPRGKRZSA-N 351.414 1.547 0 40 FDAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1614929055 BUINWNGYCNMPGF-WAOWUJCRSA-N 373.497 1.805 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 1614932011 SONWDANSTRKTIF-CQSZACIVSA-N 362.865 1.487 0 40 FDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565550262 WNHYXQZGQUCWLB-GVDBMIGSSA-N 361.417 1.249 0 40 FDAB O=C1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccccc1 4497707 ORMUCZOZSSCNSV-CYBMUJFWSA-N 374.418 1.542 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(C[C@H]3CCCO3)C(=O)[C@H]1C2 4761262 JUZIJWUKWUGDFW-ZIAGYGMSSA-N 362.451 1.737 0 40 FDAB Cc1ccccc1OCC(=O)N1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055771750 UMRXKUDRXLIEPX-FQEVSTJZSA-N 370.453 1.676 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccnn2C)CC1 2055730139 CLKVWDRFXQMGRM-UHFFFAOYSA-N 359.405 1.392 0 40 FDAB COCC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 2055834942 GIDQNELVNAMYTO-GOSISDBHSA-N 361.398 1.418 0 40 FDAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1 2055837482 KKVYXJGOPWHSTQ-IUODEOHRSA-N 367.331 1.938 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@@](O)(c1ccsc1)c1cccs1 238835637 GPWOTWAJOTZGGP-MRXNPFEDSA-N 364.448 1.311 0 40 FDAB Cc1nc(CCNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cs1 40049915 LTKJVRFEZSTKFE-UHFFFAOYSA-N 364.471 1.755 0 40 FDAB COc1ccc(OC)c2c1CN([C@H](C)c1nc(N)nc(N(C)C)n1)C[C@H]2O 40086087 OYQCEEJKOREFHH-ZYHUDNBSSA-N 374.445 1.147 0 40 FDAB COC(=O)c1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 30209472 NVSLYWLXTQHKIU-HOTGVXAUSA-N 372.421 1.607 0 40 FDAB Cc1cc(CNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)on1 50612808 MSDGVQOKKCQZGR-CABCVRRESA-N 363.414 1.581 0 40 FDAB COc1ccc(Cn2c3c(c(=O)[nH]c2=O)CN(C2CCCC2)CN3)cc1 20572715 QQLNUGAXXUXQKI-UHFFFAOYSA-N 356.426 1.721 0 40 FDAB CCCCn1c(N)c(N(CC)CC(=O)N[C@H](C)CCC)c(=O)[nH]c1=O 21386220 AZLZTVUQZNORRC-GFCCVEGCSA-N 353.467 1.050 0 40 FDAB NC(=O)[C@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 21489112 GGBYABHMOLLIAN-QGZVFWFLSA-N 356.403 1.895 0 40 FDAB CNC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3315539 PBQLYDYULHTSCW-UHFFFAOYSA-N 362.407 1.068 0 40 FDAB O=C1NCCCC[C@H]1Sc1ccc(S(=O)(=O)N2CCCC2)cn1 32871735 NWAMODFCNCQDGL-CYBMUJFWSA-N 355.485 1.627 0 40 FDAB CCn1nnnc1SCc1nc(N)nc(Nc2ccccc2OC)n1 21739956 ILHUCZKEAWRCFU-UHFFFAOYSA-N 359.419 1.505 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)s1 32903959 YZJCUIKJKIICLT-GFCCVEGCSA-N 368.484 1.829 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8253966 MJDMFAWRQALCBS-IMJJTQAJSA-N 352.442 1.329 0 40 FDAB biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102847743 LGNIAJPYOPZFQG-HOTGVXAUSA-N 355.394 1.925 0 40 FDAB CCOC(=O)C1=NO[C@]2(CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)C1 633648 IRMXHUMHSLQBHJ-HNNXBMFYSA-N 354.721 1.821 0 40 FDAB CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(N)=O 3087662 WFDIEQNPRBNOQQ-CVEARBPZSA-N 363.458 1.954 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O 23750789 DGYCBTCSJGKZNQ-LJQANCHMSA-N 370.384 1.347 0 40 FDAB CCCc1nnc(S)n1CC(=O)N(C)Cc1cc(C(=O)OC)c(C)o1 24282222 KBWPPDZIMYLDCI-UHFFFAOYSA-N 366.443 1.866 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 34871959 MHUYISNYFMSHLZ-ZDUSSCGKSA-N 359.517 1.215 0 40 FDAB CN(C)[C@H](CNC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccsc1 25330683 HMPADPVPZRSEDY-QGZVFWFLSA-N 370.478 1.957 0 40 FDAB CCNC(=O)NC1(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)CCCC1 57213928 NUHOXUYBUVZBAI-UHFFFAOYSA-N 366.506 1.772 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H](C)N1 109067126 JPZUOMMHMLYUDK-UWVGGRQHSA-N 366.892 1.114 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 48171374 LSOCUYMLKYJPAE-CYBMUJFWSA-N 367.475 1.227 0 40 FDAB CCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 2113604 WFWJVGVEGTZWKB-UHFFFAOYSA-N 372.421 1.848 0 40 FDAB biogenic CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 2138958 VXXVKBAIEQIJHK-CJNGLKHVSA-N 367.490 1.010 0 40 FDAB biogenic CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)NC[C@@H]3CCCO3)c2n1 36621404 ZEHLZFQBBWLGJN-NSHDSACASA-N 368.384 1.841 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC(C)C)c1ccccc12 2447836 AMFQIZNNZKNCIY-QGZVFWFLSA-N 360.439 1.844 0 40 FDAB O=C(NC1CCN(Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 12885925 KAUJIFSULRRTEG-UHFFFAOYSA-N 363.421 1.643 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCn2nnc3ccccc3c2=O)c1C 3447897 VZGJRZKCLIDMKV-UHFFFAOYSA-N 370.365 1.728 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 13113017 BKAUYMVKWPACNY-HNNXBMFYSA-N 352.456 1.027 0 40 FDAB C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 3978059 JYGXADMDTFJGBT-FFICGRQZSA-N 362.466 1.782 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)o1 64126592 BHYMYXXUVKVAQY-UHFFFAOYSA-N 355.460 1.265 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1CO 8750204 TWRLQNJGTRIHGY-UHFFFAOYSA-N 359.220 1.945 0 40 FDAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 14135053 JUEFHGDCZRNCIB-KRWDZBQOSA-N 351.353 1.744 0 40 FDAB O=c1ccn(-c2ccccc2)nc1-c1ccn([C@H]2CCS(=O)(=O)C2)n1 5685264 TZWACWKFXICWRY-AWEZNQCLSA-N 356.407 1.456 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2cc(OC)ccc2[nH]c1=O 4864432 QAWRAFDPZMJGII-OAHLLOKOSA-N 357.366 1.728 0 40 FDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCc1ccc2c(c1)OCO2 6889273 KLOMRBPQJLVRPO-UHFFFAOYSA-N 356.165 1.595 0 40 FDAB Cn1nnnc1SCC(=O)N1CCC(c2nc3ccccc3o2)CC1 6879469 SGAUFBBQUNHJPL-UHFFFAOYSA-N 358.427 1.850 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)c1ccccc1-n1cnnn1)c1ccccc1 6846839 FJCIMZOXGOUXII-MRXNPFEDSA-N 351.366 1.649 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCCC1 9117854 MKUJKFKINXVHKK-CYBMUJFWSA-N 351.472 1.488 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)C(=O)N1CCNC1=O 7316053 KDFIITXMUBYEIQ-BLLLJJGKSA-N 371.393 1.434 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cc(Cl)ccn1 9884424 JJQZFFUVWIZEQW-UHFFFAOYSA-N 359.817 1.209 0 40 FDAB Cc1n[nH]c2ncc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc12 84067791 GDWNFPYIESTLJM-UHFFFAOYSA-N 353.338 1.364 0 40 FDAB Cc1cc(I)cc(C(=O)N(CCO)CCO)c1C 97033655 CTQOOLIURZIGJT-UHFFFAOYSA-N 363.195 1.335 0 40 FDAB O=c1c2cnc(N3CCSCC3)nc2nc(O)n1-c1cccc(F)c1 67264296 QILJZNRESQVLRG-UHFFFAOYSA-N 359.386 1.574 0 40 FDAB CCOC(=O)[C@@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H](C)CC 72303252 KEABPPFVDHDKFM-MFKMUULPSA-N 362.348 1.961 0 40 FDAB O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)NC1CCN(CCO)CC1 95400106 IHZBHZPAULTDGN-UHFFFAOYSA-N 372.425 1.217 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN[C@]2(C(=O)OC)CCSC2)c1 95454688 XWCOWQFZUMXBLY-QGZVFWFLSA-N 365.455 1.013 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H](Cc1ccccc1)C(F)(F)F 95419086 PDLIPGBGXBGBOZ-RYUDHWBXSA-N 350.362 1.646 0 40 FDAB CC(C)N1CCC[C@H](N2CCN(c3ccc4nccnc4n3)CC2)C1=O 95999443 ADHZELYCJXHMJA-INIZCTEOSA-N 354.458 1.546 0 40 FDAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 89984875 CVPGVUWWEZOWMF-UHFFFAOYSA-N 364.379 1.830 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1cnc(C2CC2)nc1 89954575 NJBAFTQZLDOZBG-SFHVURJKSA-N 350.422 1.991 0 40 FDAB COCCc1ccnc(NC(=O)CN2CCN(c3ccccn3)CC2)c1 553346593 JYWRTOZEYPQGAV-UHFFFAOYSA-N 355.442 1.426 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2nccn2C(F)F)CC1 124963078 LWWKKKATQJJAEN-UHFFFAOYSA-N 366.416 1.515 0 40 FDAB CN(Cc1ccnn1C)C(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619242 NHTYRXOYNSIRMM-UHFFFAOYSA-N 365.372 1.936 0 40 FDAB CC(=O)Nc1nc(C(=O)NCc2cccnc2N2CCOCC2)cs1 30634505 ZGOBEAHRLPBRGJ-UHFFFAOYSA-N 361.427 1.263 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCCc1ccco1 72326041 CHJAAVDDWUDOBP-KRWDZBQOSA-N 367.405 1.590 0 40 FDAB biogenic CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCc3cccc(C)n3)cc21 72345819 ABEVHCOOBWINIB-GOSISDBHSA-N 359.451 1.992 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 31814105 KYKUIYWAQVIUIM-QLFBSQMISA-N 353.422 1.798 0 40 FDAB O=C1C[C@@H](C(=O)NCc2cccnc2)[C@H](c2ccc3c(c2)OCCO3)O1 66088360 RAHZGDBFKJCMAQ-KDOFPFPSSA-N 354.362 1.773 0 40 FDAB O=c1ccc(-c2ccco2)nn1CN1CCn2c(nnc2C(F)(F)F)C1 79488801 TVGURGHMQFLCKQ-UHFFFAOYSA-N 366.303 1.587 0 40 FDAB O=c1ccccn1C[C@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ccccc1 328645361 GJOPQALWSGUGFY-SZMVWBNQSA-N 373.478 1.908 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H](O)c2ccsc2)nn1 225582637 CNACGCHTEKRDIC-AWEZNQCLSA-N 372.406 1.732 0 40 FDAB O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)CCC(F)(F)F)C2 225779249 RKCWDPDZPQANBY-UHFFFAOYSA-N 361.345 1.335 0 40 FDAB CCc1ccc(NC(=S)c2c(N)nc(N3CCOCC3)[nH]c2=O)cc1 40385518 TVZSTLXKQDESTD-UHFFFAOYSA-N 359.455 1.539 0 40 FDAB C[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccccc3C(N)=O)cc2NC1=O 227168629 LDZXYJVSQVJTTO-VIFPVBQESA-N 361.379 1.306 0 40 FDAB CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 225541298 FTUNIJBNCJMLAS-UHFFFAOYSA-N 358.460 1.629 0 40 FDAB CN1CCN(c2cc(C(=O)N=c3nc(C4(C)CC4)[nH]s3)ccn2)CC1 529704097 HSCKSUHJIZQTMO-UHFFFAOYSA-N 358.471 1.411 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(OC)cc2)c1 225412653 KACUBJRODFLCDL-UHFFFAOYSA-N 362.451 1.966 0 40 FDAB O=C(NCc1cccs1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 44213529 UCCWJVLTMFINMT-LLVKDONJSA-N 358.423 1.847 0 40 FDAB O=C1CC[C@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C(=O)N1 576639122 IZXSVPICMZYPOQ-RYUDHWBXSA-N 351.200 1.400 0 40 FDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccsc3)C[C@@H]12)N1CCOCC1 96057239 BDRCNGTUUORWMT-OAGGEKHMSA-N 364.467 1.332 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 96036100 CVEPZIQRXPJTGV-LJQANCHMSA-N 359.474 1.166 0 40 FDAB CCC(=O)N1Cc2ccccc2C2(CCN(S(=O)(=O)N(C)C)CC2)C1 96242521 CKXHIUPOQCGJRU-UHFFFAOYSA-N 365.499 1.579 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 583623107 RNDDTFRPKWBAAK-GJZGRUSLSA-N 368.524 1.654 0 40 FDAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2ccncc2)CC1 96143537 CZHFOHBEIBJMBU-ZWKOTPCHSA-N 370.497 1.732 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)C1CC=CC1)CC2 247905241 WVRINQVQLCWWPM-OAHLLOKOSA-N 356.488 1.099 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1ccc(C)cc1)C2 248040263 UQHQJYZYIHQDBO-AWEZNQCLSA-N 373.496 1.209 0 40 FDAB Cc1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)no1 247954581 CNYDDPRDKFIYLO-MRXNPFEDSA-N 365.474 1.849 0 40 FDAB c1ccc(CN2C[C@@H]3COCCN3C3(C2)CN(CC2CCOCC2)C3)cc1 604381759 NDNNPPVVLFUNNI-OAQYLSRUSA-N 371.525 1.684 0 40 FDAB biogenic,in-vitro CN1CCC(Cc2ccccc2F)(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 257259592 KZALIAYWVLXPMM-OAHLLOKOSA-N 368.474 1.384 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cncc(C)c2)CC1 257342189 ZNMCGJTXORQPAM-UHFFFAOYSA-N 353.426 1.836 0 40 FDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC[C@H]21 257283607 OYZSDKCXHVZZBK-CMPLNLGQSA-N 358.364 1.912 0 40 FDAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2O)[C@H]1n1cccn1 632377096 SXPXOOWUQCJFDV-OUCADQQQSA-N 371.846 1.939 0 40 FDAB O=C(CCNC(=O)[C@H]1CCCN1)N[C@H](CO)c1ccccc1C(F)(F)F 1122339915 IGKHJDISYYYJTG-ZIAGYGMSSA-N 373.375 1.113 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(-c3cnn(C(C)C)c3)nn2)CC1 641047364 LGUXGTVNIMMILQ-UHFFFAOYSA-N 359.478 1.712 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1=O 643876644 ZWPJAWBDXNAYBV-ZIAGYGMSSA-N 361.446 1.327 0 40 FDAB CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)Cc1ncnn1-c1ccccc1 1775958157 HXIDYBSRUJYGQU-GXTWGEPZSA-N 356.409 1.390 0 40 FDAB C[C@H](CC(=O)O)CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 563423238 LYDOHDRRBBSTNF-AWEZNQCLSA-N 371.437 1.882 0 40 FDAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(S(=O)(=O)C(C)C)C2 575404069 MBNDESLRPBMZPR-INIZCTEOSA-N 354.472 1.878 0 40 FDAB O=C1CCCN1CCC(=O)N1CC[C@](O)(COc2ccc(F)cc2)C1 585270698 ABXJWDZYSQSYMB-GOSISDBHSA-N 350.390 1.180 0 40 FDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@H](C(=O)O)C1 585282559 GXUTZOYPTBHZAO-TXPKVOOTSA-N 354.491 1.819 0 40 FDAB CC(=O)c1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)n[nH]1 585108810 NIJWSPYKYGHZIJ-OKZBNKHCSA-N 370.409 1.596 0 40 FDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3ccnn3C)CC[C@H]21 585290373 VIPCWQKMUIBOHA-WWJLMDQWSA-N 360.458 1.309 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccnc3OC)C2)OC1 585105396 VZMMQDPHOJNTJM-AWEZNQCLSA-N 369.487 1.011 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)C1CC1 585112653 USIWIRFJTMBPMK-MRXNPFEDSA-N 361.471 1.307 0 40 FDAB O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1cccs1 96119183 KDKNZUXLDACRHS-UHFFFAOYSA-N 353.469 1.941 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615154070 DGWYLAISJCVSKW-HXUWFJFHSA-N 368.437 1.941 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N1CCC[C@@H](O)C1 12086842 ONEGSIDISPFXFI-OAHLLOKOSA-N 374.437 1.054 0 40 FDAB CN1CCC2(CC1)CN(C(=O)c1ccc(=O)n(C)c1)Cc1ccccc1O2 12365210 RKDWGLKWQNIFIT-UHFFFAOYSA-N 367.449 1.885 0 40 FDAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 12970136 PWKUYRHYNCEJRC-UHFFFAOYSA-N 362.363 1.733 0 40 FDAB CC1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)CC1 19496775 KUPQELLUJTWPLR-HZPDHXFCSA-N 372.473 1.666 0 40 FDAB Cc1cncc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)n1 1889138774 MJLRTLBEAWMUHT-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB O=C(CN1CCC[C@]2(CCCN(C(=O)c3cnco3)C2)C1)N1CCCC1 2056224678 PGPMHMMWBWNNAG-IBGZPJMESA-N 360.458 1.615 0 40 FDAB COCCOC(=O)N[C@@H]1CO[C@@]2(CCCN(Cc3cccc(O)c3)C2)C1 2056225963 GIQQUTCUUHASHU-LPHOPBHVSA-N 364.442 1.888 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4noc(C)n4)CC3)ncn2)n1 2087143992 QOKREQHFNKBFAD-UHFFFAOYSA-N 354.418 1.293 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3nccs3)CC2)[nH]1 2055746027 BOZUQHJKEHTPNH-UHFFFAOYSA-N 374.514 1.368 0 40 FDAB CCCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)CC1 2055734538 HEZCFQUYZGCNCK-UHFFFAOYSA-N 357.451 1.558 0 40 FDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccccn2)C1 2055747530 FPIUFAUVLIHIOO-LJQANCHMSA-N 356.401 1.592 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CC(S(=O)(=O)C2CCCCC2)C1 206765773 NVJSZABDLOCVDN-UHFFFAOYSA-N 351.424 1.987 0 40 FDAB CN(CCO)C[C@H]1COCCN1C(=O)COc1ccc2ccccc2c1 85469934 HXCVHBYFGYYZDI-SFHVURJKSA-N 358.438 1.370 0 40 FDAB C[C@H](O)CN(C[C@H](C)O)C[C@@H](O)COc1ccccc1Br 106220060 UACNSABIGZXIHA-RWMBFGLXSA-N 362.264 1.252 0 40 FDAB Cc1ccn2cc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)nc2c1 10427261 MUXVSKDRXXAZLN-UHFFFAOYSA-N 369.425 1.627 0 40 FDAB COc1ccc(OCCN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 40143830 IQOWDVHIGRPCOG-INIZCTEOSA-N 358.442 1.676 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc3ccccn23)CC1=O 30712970 PHIQMKIOVBNBKK-LBPRGKRZSA-N 351.366 1.730 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1CCCCCC1 102592226 XSKVSEAJYNIOHS-GASCZTMLSA-N 364.442 1.544 0 40 FDAB N[C@H]1CC[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 91545031 IQFLCLNMEOIDGD-AAEUAGOBSA-N 353.264 1.620 0 40 FDAB C[C@@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N1CCc2ccccc2C1 32950491 RMVCWUTYKOAPGD-CYBMUJFWSA-N 359.426 1.294 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 21838584 QMGZDESRRLWHFO-UHFFFAOYSA-N 362.904 1.677 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NC4CC4)CC3)CC2=O)cc1 12391642 XVXOCYXTTDVLQK-MRXNPFEDSA-N 369.465 1.865 0 40 FDAB Cn1ccc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc21 61721625 MGXRPNXWFBBYLK-INIZCTEOSA-N 361.467 1.123 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 24252103 CWKXUAAUVSHKGI-UHFFFAOYSA-N 362.861 1.437 0 40 FDAB C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 47793324 LZUIHNKNQRQQKT-KRWDZBQOSA-N 368.522 1.041 0 40 FDAB COCc1ccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 25275808 QDPXCGWJCSJBDM-UHFFFAOYSA-N 352.394 1.399 0 40 FDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20006656 OHRJTGXYEFJPDU-HNNXBMFYSA-N 362.451 1.639 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 44719688 VSGLLNCUCGKTTJ-WMZOPIPTSA-N 371.481 1.923 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)c1 58184237 ASNRUXBLJGWAHS-UHFFFAOYSA-N 366.377 1.844 0 40 FDAB COC(=O)N1CCC(NC(=O)NCc2ccc(Cn3cncn3)cc2)CC1 58192145 QIQIRDMVAFASIG-UHFFFAOYSA-N 372.429 1.356 0 40 FDAB CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 58224294 WWUQYFQAYTXOKK-RYUDHWBXSA-N 361.261 1.218 0 40 FDAB O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 24094016 CCEFMMDIHZJFGK-INIZCTEOSA-N 358.419 1.873 0 40 FDAB CCOC(=O)COn1c(SCC(=O)OCC)nc2ccccc2c1=O 2445487 URSYNRFQQUMFRV-UHFFFAOYSA-N 366.395 1.043 0 40 FDAB C[C@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 12824520 LEYFUVPJMSUTQN-CABCVRRESA-N 355.442 1.679 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)O 12941213 HWUJZSZIGCXQQE-XHDPSFHLSA-N 368.455 1.628 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13252240 DEZPQPKYRKSQOI-KBPBESRZSA-N 352.412 1.542 0 40 FDAB COCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38833021 DVBOADOSVJFKPD-CYBMUJFWSA-N 362.835 1.020 0 40 FDAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccnn1C[C@H]1CCOC1 63827255 BMGJKABWOSRHJH-OAHLLOKOSA-N 356.426 1.987 0 40 FDAB Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)NC(=O)NC3CC3)nn2)n1 8748501 HBYOOQBXWPJLCZ-NSHDSACASA-N 360.443 1.748 0 40 FDAB CC(C)NC(=O)CN(C)CC(=O)N(C)Cc1ccccc1Br 14247921 QFTDWPXZRLFCAU-UHFFFAOYSA-N 370.291 1.864 0 40 FDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Nc3cccnc3)CC2)C1 66594659 CTSNUFZSZWSDAG-HOTGVXAUSA-N 359.474 1.926 0 40 FDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1 4868034 XFLREDBXVHZGCE-UHFFFAOYSA-N 362.426 1.711 0 40 FDAB CCOC(=O)c1nnn(CC(=O)Nc2cc(C)cc(C)c2)c1C(=O)OCC 4878130 KHXOKSDKCATVEP-UHFFFAOYSA-N 374.397 1.887 0 40 FDAB Nc1c(C(=O)Nc2cccc(F)c2)nnn1CC(=O)Nc1ccccc1 4971778 ZNFUZSLZEOVURV-UHFFFAOYSA-N 354.345 1.890 0 40 FDAB COCCN1C(=O)C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C1=O 8919948 WEVAKURTHRBUGP-OAHLLOKOSA-N 357.410 1.781 0 40 FDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 8204956 FJKYTVHZRDKPFO-OAHLLOKOSA-N 352.843 1.976 0 40 FDAB CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)OC 8211927 IUYYBEXBGDBWHU-GTNSWQLSSA-N 374.393 1.389 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cnc2ccccc2c1=O 8314279 XSOFHYOQZZNAPN-UHFFFAOYSA-N 368.368 1.633 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)Cc1cn(C)nc1C 72334183 CSWWDPZNWHTSKW-SECBINFHSA-N 357.457 1.486 0 40 FDAB CCN(CC)[C@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)C1 72303378 HXIBEFKKXAOOMP-KBPBESRZSA-N 368.503 1.986 0 40 FDAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cn(C)c(Cl)n1 84774054 KGTRQEAKWPKALX-UHFFFAOYSA-N 358.807 1.841 0 40 FDAB CN(C)C(=O)CCCS(=O)(=O)c1nnc(-c2cccs2)n1C1CC1 75093318 KTBVNTJOKVONFY-UHFFFAOYSA-N 368.484 1.984 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 547548645 NZTSXEGRLXHVAC-AAEUAGOBSA-N 371.411 1.006 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)COC)cc1C 408627032 XLZRHNOLLADKIS-OLZOCXBDSA-N 358.460 1.212 0 40 FDAB Cn1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n(C2CC2)c1=O 77148592 QJVGXALJWWRJLD-UHFFFAOYSA-N 374.416 1.841 0 40 FDAB COc1cc(OC)c(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1Cl 217347178 AFQKCAKHRSIRMH-KWAYOQMPSA-N 365.769 1.728 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)c(Br)c1 42646422 KMTJXEVJEQYHIB-UHFFFAOYSA-N 370.247 1.144 0 40 FDAB CCN(C(=O)CS(=O)(=O)Cc1nnnn1C1CC1)c1ccccc1C 46113700 CTFDGVRHEBLKPH-UHFFFAOYSA-N 363.443 1.284 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)c1=O 75163152 YMYDCMZBPSTMAX-UHFFFAOYSA-N 353.367 1.223 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@](O)(c1ccco1)C1CC1 77099481 ZTZSGYKACRVFHT-LJQANCHMSA-N 372.377 1.039 0 40 FDAB COCCn1nc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1=O 49622830 RASDHUXXJDTOBL-UHFFFAOYSA-N 353.281 1.464 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC[C@H]1CCCO1 222662148 ZPFXBHISNYQOEE-CQSZACIVSA-N 370.471 1.173 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@@H](COCc1cccnc1)C2 96106154 PWHQJSSYAFMEDU-MRXNPFEDSA-N 354.472 1.819 0 40 FDAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(C(=O)[C@H]1CCCO1)CC2 96254272 RUHXLKSRUCOMRS-MRXNPFEDSA-N 359.474 1.961 0 40 FDAB CN(C)c1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1F 580617086 BBRUCADYDPITPW-AWEZNQCLSA-N 369.462 1.532 0 40 FDAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@@H]2O1 96066320 YSNMROYOYGJSGR-UHOSZYNNSA-N 359.470 1.604 0 40 FDAB CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96156248 VRSPLPMZGTZPQR-CYBMUJFWSA-N 356.430 1.340 0 40 FDAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ncccn1)C2 248120876 KEICTDMLBUVLID-INIZCTEOSA-N 367.453 1.625 0 40 FDAB Cc1cc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)sc1C 252012792 SZEISYFNTHZZHS-ZDUSSCGKSA-N 372.512 1.535 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2ccc(C(=O)O)cc2)C1 257270508 MUNHUMCAERUJAH-AWEZNQCLSA-N 361.423 1.981 0 40 FDAB CN(C(=O)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 43005598 VKBFVMMLSYTAQY-UHFFFAOYSA-N 370.434 1.434 0 40 FDAB CN1CCC(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)CC1 257201760 AIYBQBCHBPFQED-IEBWSBKVSA-N 350.434 1.898 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cccnc2-c2cncc(C(=O)O)c2)C1 257291709 QIHIAOVNJXWPRP-LBPRGKRZSA-N 361.423 1.666 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCC2CCOCC2)c1 257230815 GEAYMNCVQNKXBS-UHFFFAOYSA-N 356.426 1.665 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)c(C)n1-c1nccs1 1615591950 PKRIARABULPHSM-HUUCEWRRSA-N 370.482 1.851 0 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CN(Cc1cscn1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 48355879 VTJSLEKLGBAJOQ-GFCCVEGCSA-N 373.434 1.926 0 40 FDAB CC(C)c1noc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)n1 80177430 QWSCGWFUIDQYDK-AWEZNQCLSA-N 357.414 1.552 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615122621 PZJFBSYHYZLVHE-IBGZPJMESA-N 372.400 1.597 0 40 FDAB Cc1nn(CC(=O)N[C@@H](C)c2ccccn2)c(=O)c2cc3occc3n12 12115440 ZCOFUNWNAJLTQA-NSHDSACASA-N 351.366 1.823 0 40 FDAB COc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(CC(C)C)C1=O 12409813 QDFFZPRBTDOKOJ-UHFFFAOYSA-N 369.443 1.370 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C 12924391 UPHZDGFRGZWVME-GJZGRUSLSA-N 354.472 1.608 0 40 FDAB C[C@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)c(F)c1 13042315 JMVOMOWVHDCTDM-JTQLQIEISA-N 369.393 1.902 0 40 FDAB O=C(CC[C@H]1CCCO1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13268132 JYGDTDIZDBIPAR-GFCCVEGCSA-N 355.398 1.483 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)C(=O)O1 19460941 USVGJAUHMFYRSI-CZUORRHYSA-N 372.469 1.908 0 40 FDAB COCCn1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 19593929 ZNCBYMPLLHFCPV-AWEZNQCLSA-N 371.363 1.760 0 40 FDAB CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699762 AUPYRHZPVZPKRM-OAHLLOKOSA-N 350.463 1.040 0 40 FDAB Cn1cccc1[C@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 21154041 CAUNPQGLXSUZSX-AWEZNQCLSA-N 355.485 1.438 0 40 FDAB C[C@H](CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccccc1 5628595 ZLRIWSKMJJIVSF-CYBMUJFWSA-N 357.410 1.640 0 40 FDAB Fc1cncnc1N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888842643 GTLVQXKPJYFBLP-NXEZZACHSA-N 354.311 1.997 0 40 FDAB Cc1nc(N2C[C@@H]3CN(c4ncnc5c4CCC5)C[C@@H]3C2)nc(O)c1F 1888866368 NCTNFVWRMJDGOM-TXEJJXNPSA-N 356.405 1.481 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)nc2ccccc21 1888903726 GCFXPDWOFBOIKC-BETUJISGSA-N 351.414 1.383 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@@H]4C3)ncnc21 1888909542 UOFGRWZCGJRJKP-KBPBESRZSA-N 366.400 1.711 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(CCO)n2C)C1 1262849898 BZDZZSNJDQPXGQ-STQMWFEESA-N 353.467 1.480 0 40 FDAB O=S(=O)(c1cnc[nH]1)N1CCC(COc2cc3c(nn2)CCC3)CC1 1775985823 ABGBGLDLDLGTNJ-UHFFFAOYSA-N 363.443 1.168 0 40 FDAB COc1cnc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)cn1 2056224791 WBANAPGXTXNSDB-CQSZACIVSA-N 371.466 1.370 0 40 FDAB COC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479783 HSGBQAGRMQRLGA-VXGBXAGGSA-N 351.403 1.143 0 40 FDAB COc1cccc(CN2CCn3c(nc(CN4CCCC4)cc3=O)C2)c1 2055772507 ORMYMQLWRXJPPZ-UHFFFAOYSA-N 354.454 1.864 0 40 FDAB CC(=O)c1cc(C(=O)N2Cc3cn(C)nc3[C@H](COCC3CC3)C2)n[nH]1 2055773058 PXVQDPCSDZRIMA-AWEZNQCLSA-N 357.414 1.512 0 40 FDAB Cn1nccc1C(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055739024 IAQYJPANRAZMMN-LLVKDONJSA-N 369.381 1.218 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2nccs2)C(=O)C1 1775965857 MQIGUKRVICHUDG-UHFFFAOYSA-N 360.395 1.430 0 40 FDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NC[C@H]1CCCO1 225550134 NUHZZBIWYUCWAE-CYBMUJFWSA-N 369.443 1.536 0 40 FDAB Cc1ccc(CNC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 374828586 YAIDZIVMSLARAC-UHFFFAOYSA-N 365.499 1.111 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCN(c2ccccc2)CC1 101320663 DRFPPVZEUTZOOE-LNMJFAINSA-N 365.433 1.142 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1 20744445 OZBSTICEXSCWDT-OAHLLOKOSA-N 373.453 1.375 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(C)nn(C)c1C 29692085 QMRBAVRQHQXPKG-GOSISDBHSA-N 368.437 1.961 0 40 FDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 2646184 DNYQIRRIHRZQRW-LBPRGKRZSA-N 356.444 1.290 0 40 FDAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1ccco1 8197807 QPPBHGBBPKBNLK-CYBMUJFWSA-N 365.455 1.989 0 40 FDAB COC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1cnc2ccccc2n1)C(C)C 1703488 KCGVZEMKIYGFGP-XHDPSFHLSA-N 358.398 1.062 0 40 FDAB CN(C)Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 32976862 QRMOOQGBMARJEA-UHFFFAOYSA-N 351.410 1.637 0 40 FDAB O=C([C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]1O2)N1CCCC1 107264059 FAMMULFAQBFPJO-YESZJQIVSA-N 364.467 1.228 0 40 FDAB COc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1 8476338 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1.561 0 40 FDAB O=C(Nc1nnc2ccccn12)c1nc(N2CCOCC2)ncc1Cl 44500794 QKLQXOAFJAGECK-UHFFFAOYSA-N 359.777 1.262 0 40 FDAB O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101505367 KIBXGEWYSNLPIT-GDBMZVCRSA-N 354.293 1.847 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 107264136 QUEIBDZVVFFXEY-BZUAXINKSA-N 364.467 1.395 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)NC[C@@H](C)N2CCC(C)CC2)no1 58168612 QAUANKGFLQMLQB-CYBMUJFWSA-N 368.503 1.891 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1csc(-c2ccccc2F)n1 58195030 AMUNILGYXLACMI-UHFFFAOYSA-N 363.414 1.928 0 40 FDAB CON(C)C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 36037285 GGEAELCBCMQLEG-IEZBTEQYSA-N 358.485 1.718 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 58244855 KKANDHLLWGXAOU-SECBINFHSA-N 350.362 1.593 0 40 FDAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2C)CCO1 10616935 SYYZGTYSXPHIJV-LLVKDONJSA-N 350.419 1.961 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 58903615 QSDKLOKQGSZJKD-UHFFFAOYSA-N 359.407 1.938 0 40 FDAB 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369.343 1.702 0 40 FDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1nccs1)C2 96060861 KUXFAEWNJCGMEF-ZDUSSCGKSA-N 350.492 1.432 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N3CCc4sc(Cl)cc4C3)cnc21 578195263 VSZIEWPMCHDTKY-UHFFFAOYSA-N 363.830 1.430 0 40 FDAB C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)C1 96306445 MQCYJOVKMODVJL-OKILXGFUSA-N 367.453 1.954 0 40 FDAB Cc1cccc(CN2C[C@H]3OCCN(S(=O)(=O)C4CC4)C[C@H]3C2)n1 96108049 CQBOZJOUWGPKLT-RHSMWYFYSA-N 351.472 1.015 0 40 FDAB CC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N2CCCCC2)n1 96101121 JAKSDMKIKCCLPL-UHFFFAOYSA-N 361.490 1.652 0 40 FDAB O=C1NCCN(CC2CC2)C12CCN(Cc1ccc3c(c1)OCO3)CC2 96230192 QPADJKNGDMILHI-UHFFFAOYSA-N 357.454 1.592 0 40 FDAB COC[C@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242473314 FGCLEQCOCZDXJJ-WZRBSPASSA-N 363.229 1.677 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCCn3ncnc32)C[C@@H](C)O1 246220736 ZNIPALQYSKCFLO-MJBXVCDLSA-N 350.467 1.300 0 40 FDAB O=C(C1=Cc2ccccc2OC1)N1CCOC[C@@H](Cc2ccncn2)C1 257236826 HDYOEIYUBPQZCA-HNNXBMFYSA-N 351.406 1.970 0 40 FDAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 257307114 SXHDXVGAHQWBEB-CYBMUJFWSA-N 351.414 1.928 0 40 FDAB COc1cccc(CC(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)c1 257257216 KOOWPRXLHCQDKV-IBGZPJMESA-N 356.426 1.175 0 40 FDAB Cc1cc(-c2cc(C)nc([C@H]3CCCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257272240 NBPBWVWBIYGWEK-OAHLLOKOSA-N 364.475 1.817 0 40 FDAB O=C(CO)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257286932 PNSAXCYCMPRNJW-JTQLQIEISA-N 367.331 1.942 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccn(Cc3ccccc3)n2)C[C@H]1c1cnn[nH]1 622166236 FCJKYDXPQZEUDK-WMLDXEAASA-N 352.398 1.304 0 40 FDAB O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)C2CCCCC2)C1 96377677 PEKWRHJXJXRPJD-UHFFFAOYSA-N 361.460 1.946 0 40 FDAB CCOc1ccc(C(=O)N2CCC(NC(=O)C(C)(C)C(=O)O)CC2)cc1 571567120 ZESTUBHPZKQJFP-UHFFFAOYSA-N 362.426 1.917 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@@H]21 585109399 MXLKDRKXPJIMOL-SOLBZPMBSA-N 355.394 1.149 0 40 FDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cnn(-c2ccc(Cl)cc2)c1 585293974 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351.414 1.534 0 40 FDAB Cc1nn(CC(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C 19556431 PQAIAEPIPHWXHY-MRXNPFEDSA-N 369.469 1.717 0 40 FDAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 101273664 QZXBDPLUBSEOKX-RYUDHWBXSA-N 370.814 1.294 0 40 FDAB O=S1(=O)C[C@H](NCc2ccco2)[C@@H](S(=O)(=O)c2cccs2)C1 13371087 YFRVOHIHIUQWGY-RYUDHWBXSA-N 361.466 1.070 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cc5cccnc5)C[C@@H]4C3)n1)CCC2 1888869755 IPXSBKHIVWSTMM-IAGOWNOFSA-N 363.465 1.806 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4cncn4C)C[C@H]3C2)nc2ccccc21 1888909680 FKSHXKYMPFWFFP-GJZGRUSLSA-N 364.453 1.998 0 40 FDAB COc1ccc(OC)c2sc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc12 1889128441 OERTXPVPOOBIHX-CYBMUJFWSA-N 363.439 1.797 0 40 FDAB CCN(CC)C(=O)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 23799637 WJKCFAZOLJRXJC-UHFFFAOYSA-N 356.426 1.232 0 40 FDAB COCCCNC(=S)NC[C@H](C)N1CCN(c2ccccc2)CC1 36847413 GIGIKFWVIZUUBI-INIZCTEOSA-N 350.532 1.698 0 40 FDAB Cn1ccc(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1=O 1776009909 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FDAB CCOC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cnn(C)c2C)c1 58194765 VZJQOSWARSIWAB-LLVKDONJSA-N 351.428 1.945 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 22764149 KJYUUBMOPNNIFC-RYUDHWBXSA-N 356.410 1.895 0 40 FDAB CN(C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2339338 ICHTXPQQPYBMKF-UHFFFAOYSA-N 358.471 1.899 0 40 FDAB COc1ccnc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 11008591 KULSDUITHBXLJF-GFCCVEGCSA-N 355.398 1.685 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)C1 16726598 WWPUVYQPPXVLPW-ZDUSSCGKSA-N 354.428 1.010 0 40 FDAB Cc1cc(CN2CCN(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)on1 48133713 UCSXXHWAJPIMLR-UHFFFAOYSA-N 368.401 1.308 0 40 FDAB C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccccn1 48237853 VHCHRHSAAOLKCE-NSHDSACASA-N 371.418 1.880 0 40 FDAB COc1ccc(Br)c(C(=O)OCC(=O)NC[C@H]2CCCO2)c1 3412038 IAXKVHPZXASAPM-LLVKDONJSA-N 372.215 1.910 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O 12944627 WFKDOTJKHHFSET-KBXCAEBGSA-N 358.446 1.057 0 40 FDAB CC(C)n1cc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)cn1 306123469 AODHQLWZAFNRIE-GJZGRUSLSA-N 369.473 1.252 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CS2 29166448 KXZSUORCTONPHR-IUODEOHRSA-N 369.468 1.451 0 40 FDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC(=O)NCc1ccco1 5253666 AHIKDVGDTYAFTE-UHFFFAOYSA-N 360.757 1.669 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 6949461 BFTYKMJQESCKHC-UHFFFAOYSA-N 368.455 1.287 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 7081321 XAGKPACIISNBHB-IBGZPJMESA-N 367.409 1.369 0 40 FDAB COC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)nc1C 7705938 YPADUFGQLJEMQH-UHFFFAOYSA-N 373.390 1.863 0 40 FDAB CCCn1c(N)c(-c2csc(NCc3ccco3)n2)c(=O)n(C)c1=O 8945899 XAZINFZEDSKGFB-UHFFFAOYSA-N 361.427 1.868 0 40 FDAB CNC(=O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1 9338382 YWJHTRANVQVSEA-UHFFFAOYSA-N 354.409 1.695 0 40 FDAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20040675 BXOQBVKQFPOEEK-UHFFFAOYSA-N 371.478 1.045 0 40 FDAB Cn1ccc2ccc(C(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)cc21 79479669 UICAIDIQEFIPCE-UHFFFAOYSA-N 362.389 1.612 0 40 FDAB COCCOc1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cn1 95457661 IOIZQGMIAYQLHI-GUYCJALGSA-N 351.403 1.566 0 40 FDAB COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)nn1 95941053 LMZWGQUOQVQRHQ-LRDDRELGSA-N 372.381 1.068 0 40 FDAB O=C(c1cnccn1)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 72354966 QLILPAGVWBRRNM-UHFFFAOYSA-N 362.397 1.820 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)Nc3ccn4ccnc4c3)CC(=O)N2C)cnn1C 565291032 VRHJJGYMCMORFW-GUYCJALGSA-N 352.398 1.534 0 40 FDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218611655 NQOYUQOQQJGVHR-RKVPGOIHSA-N 368.499 1.982 0 40 FDAB Cc1cc(N2CCCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225905119 VWNQGBUZHNWBSO-UHFFFAOYSA-N 364.519 1.394 0 40 FDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc2n(n1)CCC2 566954515 UGWWDHQHBSQFTM-UHFFFAOYSA-N 360.439 1.866 0 40 FDAB COc1ccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224179648 MJQVFEIVFYUKJR-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB O=C1CCCN1Cc1cn(C2CN(C(=O)COc3ccccc3F)C2)nn1 225630548 YDAADXIWGKRTED-UHFFFAOYSA-N 373.388 1.002 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1nnn(-c2ccc(F)cc2)n1 75163520 AHSKAGUPGJTTCO-UHFFFAOYSA-N 351.305 1.029 0 40 FDAB CN(C)[C@H](CNC(=O)c1cccn(C)c1=O)c1cn(C)c2ccccc12 75149158 ZAEIFCWNNYCRNG-GOSISDBHSA-N 352.438 1.910 0 40 FDAB CC(C)CCn1nc2ccc(S(=O)(=O)N3CCCCC3)cn2c1=O 49407865 NWGZZUDVXBADLO-UHFFFAOYSA-N 352.460 1.717 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3cnc4ccnn4c3)CC2=O)cc1 225573624 CRCODPKUXBAICI-LBPRGKRZSA-N 351.366 1.730 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccn(C)n3)N=C2O)cc1 95474871 HCPFGIJBNJJUPJ-CYBMUJFWSA-N 357.370 1.082 0 40 FDAB O=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccccc2)CC1 96232114 NTWFHVICHGPJBP-UHFFFAOYSA-N 363.421 1.371 0 40 FDAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)C3)cn1 96157513 QYEAUEWHQTXHKQ-UHFFFAOYSA-N 353.470 1.872 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccoc1)C2 96050185 QSGPHLMNHGEQLR-IBGZPJMESA-N 354.410 1.514 0 40 FDAB Cc1cccn2c(=O)c(C(=O)NCc3nnc4n3CCCCC4)cnc12 90998328 RQIGQXKFGDKCBF-UHFFFAOYSA-N 352.398 1.251 0 40 FDAB Cn1cc(CN2CCOC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 96051300 BKJKTYAXQBAPMT-LJQANCHMSA-N 374.416 1.194 0 40 FDAB O=C(c1cccc2c1OCCO2)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 247967921 ZXHHZFANOKUYRQ-INIZCTEOSA-N 368.437 1.947 0 40 FDAB O=C(O)[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242575069 NQRJUERJIVZLHG-ZMSDIMECSA-N 350.367 1.829 0 40 FDAB COc1ncccc1CN1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 248046230 WNXUUQJSOUMERX-QGZVFWFLSA-N 358.442 1.553 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCN(C4CCN(C)CC4)C3)ccnc12 257307020 SWXFTHWNFWALNC-CQSZACIVSA-N 356.474 1.363 0 40 FDAB O=C(O)[C@H]1COCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 584908029 JMCWOXYBMIRDQX-CYBMUJFWSA-N 353.806 1.263 0 40 FDAB Cc1ccnc([C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257215242 CPGFTAYHDQWVSP-MRXNPFEDSA-N 350.382 1.784 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C 257225642 FHDRNTSCWXEXDI-INIZCTEOSA-N 362.861 1.561 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 684206234 MBBYHFMTSNWOOI-UHFFFAOYSA-N 364.467 1.293 0 40 FDAB CCC(=CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)OC)CCO2)CC 1775989968 AZMYAQXVALDSCK-OAHLLOKOSA-N 352.475 1.988 0 40 FDAB Cc1nc(C)n2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)nc2c1C 90610074 PDBMAXADVSSGSP-UHFFFAOYSA-N 369.381 1.226 0 40 FDAB O=S(=O)(NCc1n[nH]cc1Br)c1cccc2c1OCC2 643205799 DXGSLSVITDJOQE-UHFFFAOYSA-N 358.217 1.586 0 40 FDAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3cccnc3)cc2C1 656858813 DJZPLUCKAVASGZ-UHFFFAOYSA-N 351.453 1.526 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnn(C)c1C 657145176 FAWDAKNMEALKKF-GXTWGEPZSA-N 353.448 1.001 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(OCC(=O)O)c1 663115902 DXCUJGIKQAOGCD-KRWDZBQOSA-N 368.389 1.463 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1ccsc1 390827745 JTEHTYCOXZYHTO-UHFFFAOYSA-N 367.394 1.882 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)CN1C 585103861 SFCILDXFBFGADR-LBPRGKRZSA-N 356.417 1.931 0 40 FDAB COCCN1C[C@@H](C(=O)OCC2CCN(Cc3ccco3)CC2)CC1=O 89414126 LRCYEDALJUCBPA-INIZCTEOSA-N 364.442 1.530 0 40 FDAB CC(C)(O)CC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615120318 KBDXYDVNCBDIPU-HXUWFJFHSA-N 360.454 1.962 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(F)cc1F 39547637 VVFDTKSARUZKKA-UHFFFAOYSA-N 355.385 1.458 0 40 FDAB CCCS(=O)(=O)N1CCN(Cc2ccc(OCC)c(OC)c2)CC1 19525180 MFOGNROBXJDGKV-UHFFFAOYSA-N 356.488 1.951 0 40 FDAB Cc1nc(CC(=O)N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cs1 19746820 VEJLZMRPYMSPEU-QGZVFWFLSA-N 351.472 1.670 0 40 FDAB CO[C@@H]1COC[C@@H](CNS(=O)(=O)c2cccc3ccccc23)[C@@H]1O 643585433 KGNKYHOMDYJWSL-UNEWFSDZSA-N 351.424 1.140 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)N2CCc3sccc3C2)CC1 26310375 HOPDYPJLTXFZKW-UHFFFAOYSA-N 357.501 1.630 0 40 FDAB O=C(c1cncnc1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984849 PPIUMJQMADTZAO-WBVHZDCISA-N 352.394 1.371 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@@H]3C2=O)cs1 1565552989 GDFJWJNSEMBSTC-YPMHNXCESA-N 362.480 1.947 0 40 FDAB COc1cc([C@H]2[C@@H]3[C@@H](N(C)C(=O)N(C)[C@@H]3C)N(C)C(=O)N2C)ccc1O 4093933 DBLJYIVEHBFBMD-XGVBPZLHSA-N 362.430 1.767 0 40 FDAB CC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 4328382 WWUBLYHYUGOKPO-UHFFFAOYSA-N 366.424 1.999 0 40 FDAB COc1ccccc1C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251107 VSYMJHIZZWFRLE-UHFFFAOYSA-N 361.361 1.975 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 10330831 PJGUGLQYVXIYJF-MRXNPFEDSA-N 369.421 1.815 0 40 FDAB COc1cccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)c1 2055772748 XICUAKYDTACSSE-UHFFFAOYSA-N 356.426 1.611 0 40 FDAB Cn1cc(C(=O)N2CCC23CN(C(=O)CCc2ccccc2F)C3)cn1 2055793264 IMDYOYLWHFCFBT-UHFFFAOYSA-N 356.401 1.619 0 40 FDAB COc1ccc(CN[C@@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)cc1 2055730192 KMSMCRBKIXNNMH-HZPDHXFCSA-N 357.454 1.897 0 40 FDAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 20057818 KVROIWLPPJSCGQ-NEPJUHHUSA-N 356.831 1.596 0 40 FDAB biogenic CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 4495925 SLWPFZUDYLJXOB-NSHDSACASA-N 359.769 1.578 0 40 FDAB O=C(CCn1cncn1)NCC(=O)Nc1ccccc1Br 24683463 BNMFRSGYSNPGLS-UHFFFAOYSA-N 352.192 1.186 0 40 FDAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(OC)cc1 38261191 HAXBWMKGZWIMJD-AWEZNQCLSA-N 373.361 1.398 0 40 FDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1cccc(F)c1 100033341 WOZWBXINCJVZTD-HZPDHXFCSA-N 367.340 1.758 0 40 FDAB CC/C(NCCCO)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20329801 VURAPYHSIBLRAC-OUKQBFOZSA-N 351.790 1.559 0 40 FDAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccs1 1480260 HWFFFEGFKRNVHX-GFCCVEGCSA-N 361.423 1.540 0 40 FDAB Cc1ccc(C(=O)CCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C 32771027 RTTLNMLOILQCKQ-UHFFFAOYSA-N 366.483 1.807 0 40 FDAB CCc1nnc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)s1 2490950 ZBGWDIHGUNJZRL-UHFFFAOYSA-N 367.456 1.781 0 40 FDAB Cc1ccc2nc(SCC(=O)NCCc3ccccc3)nc(=O)n2c1 4503663 LEGULFBTPBZUKT-UHFFFAOYSA-N 354.435 1.849 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S(N)(=O)=O)cc1 6502213 GFOBGPBVXRTCSY-UHFFFAOYSA-N 369.424 1.153 0 40 FDAB Cc1cc(C)c(S(=O)(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c(C)c1 6623494 UMNOXXIKYZTZLO-UHFFFAOYSA-N 361.423 1.610 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1 7916381 AGECAEHZRVCVPS-UHFFFAOYSA-N 351.406 1.860 0 40 FDAB Cc1ccc2ncc(C(=O)NCc3cccc(CN(C)C)c3)c(=O)n2c1 33089630 NJFFYURGEMRVAU-UHFFFAOYSA-N 350.422 1.995 0 40 FDAB CCOC(=O)C1=C(CSc2nnc3n2CCCCC3)NC(=O)NC1 8539040 OKPLIXUIIJUDOV-UHFFFAOYSA-N 351.432 1.227 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 53528434 FNGQMAHUAHFKPG-UHFFFAOYSA-N 373.376 1.151 0 40 FDAB COc1cc(C)c(CN2CCN(C(=O)C3=COCCO3)CC2)cc1OC 23641910 CYUXUMUSLHNBBF-UHFFFAOYSA-N 362.426 1.545 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)nc1 47223936 KQXGEHXNTVLSCC-LBPRGKRZSA-N 369.443 1.823 0 40 FDAB COCCN(CCOC)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 47653592 UQSDIBOONKPHDR-KRWDZBQOSA-N 350.459 1.871 0 40 FDAB CCOC(=O)COc1cc2oc(=O)cc(C)c2cc1OCC(=O)OCC 1323114 CECIJIMFFNPTRD-UHFFFAOYSA-N 364.350 1.985 0 40 FDAB biogenic COC(=O)c1ccc(CN(C)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 25477367 FQDIYYJYTHJLRR-KRWDZBQOSA-N 363.439 1.290 0 40 FDAB CSCC[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 2083416 PSOVYVGYEXTOIY-GFCCVEGCSA-N 360.476 1.956 0 40 FDAB biogenic CCN1CCN(c2ccc(NC(=O)CN3CCCC[C@@H]3C(N)=O)cc2)CC1 12635490 LBUCOEDXQVOLNP-GOSISDBHSA-N 373.501 1.107 0 40 FDAB COc1ccc(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1OC 58245779 HRRVKOJZHYYTCD-UHFFFAOYSA-N 370.471 1.129 0 40 FDAB Cc1c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)[nH]c2c1C(=O)CCC2 58201460 CILGDMMUXSMKRH-UHFFFAOYSA-N 361.423 1.883 0 40 FDAB CCc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)cc1 96105704 TYGTXZWWNGSUBS-UHFFFAOYSA-N 354.410 1.349 0 40 FDAB COc1ccc(CCNC(=O)Cn2cnc3ccccc3c2=O)cc1OC 3430539 VMSKHIYVHOZDIN-UHFFFAOYSA-N 367.405 1.773 0 40 FDAB biogenic O=C(O)C1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 12901556 RBMOKXSKSBYJCD-UHFFFAOYSA-N 371.393 1.045 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC(C)CC2)cc1 19796981 SLKGZNBCLAGAEW-IRXDYDNUSA-N 371.524 1.666 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC=C(c2ccc(O)cc2)CC1 8709408 PJMRPUQZTIYFCA-UHFFFAOYSA-N 369.421 1.873 0 40 FDAB CN(CC(=O)c1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914884 SKAPQEIAUGHSDV-UHFFFAOYSA-N 373.434 1.380 0 40 FDAB O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 8772287 ZGWZIAGYIICSLP-UHFFFAOYSA-N 350.368 1.154 0 40 FDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1cccs1 5754665 ZNWSPIZLBNIUBY-UHFFFAOYSA-N 357.391 1.387 0 40 FDAB CCOc1ccc2nc(SCC(=O)N3CCC[C@H](C(N)=O)C3)[nH]c2c1 9367066 CLEAGKYBDOUIIS-NSHDSACASA-N 362.455 1.778 0 40 FDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccnc2)n1C 7785258 OLSQIGGEJQDDLY-UHFFFAOYSA-N 356.411 1.264 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1Cc1ccccc1 8187956 WANMVHFXAPVEEH-QGZVFWFLSA-N 350.422 1.531 0 40 FDAB CCCn1c(=O)n(CC(=O)Nc2ccccc2C(N)=O)c2ccccc21 16705821 CRYSCOYWLFCGJQ-UHFFFAOYSA-N 352.394 1.951 0 40 FDAB Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 81706763 HCVITPBFDMISEF-GHTZIAJQSA-N 352.434 1.818 0 40 FDAB CC[C@@H]1CN(C(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CCO1 70006815 MWXIJCZSTFMUOB-LLVKDONJSA-N 359.348 1.777 0 40 FDAB COc1ccc(NC(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)N3)cn1 69459708 UIDQJJWQGYOGLA-UHFFFAOYSA-N 372.366 1.037 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1CCOc1ccc(Br)cc1 96797856 FVKWLGHZRPENSI-ZDUSSCGKSA-N 371.231 1.191 0 40 FDAB Cn1ncc(C(=O)NC[C@H](CO)Cc2ccccc2F)c1-n1cccc1 72303094 PEXQYLCHZSAUBW-CQSZACIVSA-N 356.401 1.931 0 40 FDAB O=C(CN1CCC[C@@H](c2ncc[nH]2)C1)NCCCN1CCCCCC1=O 95964078 GWSOJNKCTRQHRK-MRXNPFEDSA-N 361.490 1.498 0 40 FDAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 75148613 KHAOQOOXRATJIS-QWRGUYRKSA-N 368.352 1.854 0 40 FDAB CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cnccn1)C2 306138815 SICNGGYSRRWBOU-QGZVFWFLSA-N 367.453 1.625 0 40 FDAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 35425961 MNGHBOOTAOJRDY-AWEZNQCLSA-N 357.418 1.257 0 40 FDAB biogenic,in-vitro Cc1nnc2n(c1=O)N[C@@](O)(Nc1c(Cl)cccc1Cl)CS2 35682744 GIOARXYQSJTGIR-LBPRGKRZSA-N 360.226 1.661 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCc3cccc(C)n3)cc21 72345820 ABEVHCOOBWINIB-SFHVURJKSA-N 359.451 1.992 0 40 FDAB Cn1nc(C(=O)Nc2cnn(CC(F)(F)F)c2)cc1NC(=O)C1CC1 72243707 CXUGAEMYPPDGDQ-UHFFFAOYSA-N 356.308 1.780 0 40 FDAB CCn1c(N2CCN(c3ccccc3)CC2)nc2c(C)nn(C)c2c1=O 32651873 AILNFDZQNHIXRX-UHFFFAOYSA-N 352.442 1.785 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COc1coc(C)cc1=O)CC2 72324623 OWGBRFPFKCEXPH-UHFFFAOYSA-N 359.378 1.929 0 40 FDAB biogenic O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 135771267 HNOGNYLWCGLTAE-KFWWJZLASA-N 370.405 1.284 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1nccn1C)C1CCOCC1 569993923 NKJATCRWZCZWPV-CYBMUJFWSA-N 354.432 1.471 0 40 FDAB COC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225731478 ZVURPWJJPRFWFC-SNVBAGLBSA-N 353.216 1.915 0 40 FDAB COCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1 95116337 ZZAPZDKWWZRODC-UHFFFAOYSA-N 360.395 1.352 0 40 FDAB CC[C@@H](C)N1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000176 BMWLHSIIVHSMJV-BYCMXARLSA-N 356.875 1.953 0 40 FDAB O=C(NCCO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 98066997 YKOCGIISSMLIFD-UHFFFAOYSA-N 362.451 1.349 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1OC 257244023 IJOAECZLKYHFQB-APWZRJJASA-N 359.470 1.769 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)ccn1 257262039 LJTSCTJNOMJHMD-OAHLLOKOSA-N 355.398 1.661 0 40 FDAB C[C@@]1(n2cc(CN3CCOCc4ccccc43)cn2)CCS(=O)(=O)C1 585085046 QUYHZDHDCQPNDX-GOSISDBHSA-N 361.467 1.954 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cn(C)cn3)CC[C@H]21 257221344 DOPOMOABLPTAIY-ZHALLVOQSA-N 352.438 1.897 0 40 FDAB Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)c(=O)n1 257281570 OPWRCBSNPRBMFS-NJAFHUGGSA-N 368.437 1.571 0 40 FDAB CCCn1ccnc1CN1CCO[C@H](c2nccc(CNC(C)=O)n2)C1 257222992 DVKJVYCNIVMQPZ-INIZCTEOSA-N 358.446 1.293 0 40 FDAB O=C(CCc1cccc(F)c1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257261323 LGTQCZODKZTAOA-IBGZPJMESA-N 358.417 1.696 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 253493316 SVVCURARBTVVBW-CQSZACIVSA-N 354.501 1.831 0 40 FDAB CN([C@H](C(=O)NCCCc1ccco1)c1ccccc1)S(C)(=O)=O 260761970 FNNSIHSKLDEULP-INIZCTEOSA-N 350.440 1.961 0 40 FDAB CC(C)(C(=O)N=c1ccn(CC(=O)O)[nH]1)c1cccc(C(F)(F)F)n1 630135201 KAENKKFPDMNOES-UHFFFAOYSA-N 356.304 1.720 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(F)c2Br)C1 643996759 PFGRYGHHBSEPPS-CQSZACIVSA-N 359.195 1.431 0 40 FDAB C[C@]12CCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C[C@H]1C2(F)F 652313013 GVTWPYQMEDJVDF-ZENOOKHLSA-N 356.344 1.420 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccccc1 683440946 OSKHRUHNUBUJLH-DLBZAZTESA-N 371.368 1.462 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2ccc3nc[nH]c3c2)C1 1775957013 AALFPWUIHKZXAL-DOMZBBRYSA-N 352.398 1.703 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093911 PCHWJVIDRAIWMC-CQSZACIVSA-N 354.447 1.293 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2nnc(C)s2)CC1 49030494 GCTCDEYGUUKCKN-UHFFFAOYSA-N 364.431 1.080 0 40 FDAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCc2ccccc21 56999917 FBAPUABMTWZASL-UHFFFAOYSA-N 367.453 1.168 0 40 FDAB COCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)c2)n1 65134738 IVWHXDRHPLNXRT-UHFFFAOYSA-N 372.356 1.865 0 40 FDAB COc1cc(OC)c(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1Cl 100018540 AFQKCAKHRSIRMH-IHQJAULKSA-N 365.769 1.728 0 40 FDAB CC(C)n1cc(CNC(=O)[C@H]2CCC(=O)c3ccccc32)c(O)nc1=O 1636515146 YGLIMMUWZJWRFC-HNNXBMFYSA-N 355.394 1.906 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)C1 5016700 XKYCVYXIDKXDQM-CYBMUJFWSA-N 371.455 1.976 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1 5883213 GNNCRPZAWGBCOK-UHFFFAOYSA-N 354.409 1.337 0 40 FDAB O=C(C1CC1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310263 RXOQVFMYZCTHQH-UHFFFAOYSA-N 367.388 1.408 0 40 FDAB O=C(C1CC1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310309 UPBPPFYCUCZHLD-UHFFFAOYSA-N 367.388 1.408 0 40 FDAB Cn1ncc2c1CCc1sc(NC(=O)C[C@@H]3SC(=O)NC3=O)nc1-2 12327413 VWEAMALDFMCPBH-VIFPVBQESA-N 363.424 1.322 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC[C@H]2CCCO2)n1 12735096 ZEULMBVZPLVHKE-ZIAGYGMSSA-N 359.430 1.117 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H]1CCN(Cc2ccccc2)C1 14199263 FBUXQLOECCHKRZ-INIZCTEOSA-N 362.433 1.856 0 40 FDAB Cc1c(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cnn1C 19553166 GRAQLPOGZNZRRH-AWEZNQCLSA-N 364.409 1.504 0 40 FDAB COc1ccc2ncc(NC(=O)NCCCN3CCN(C)CC3)c(O)c2n1 19590037 QIAPJQKKTDHRFX-UHFFFAOYSA-N 374.445 1.103 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cccc(OCCN2CCCC2=O)c1 19659933 WBYZAPGYUQIYJO-INIZCTEOSA-N 359.426 1.038 0 40 FDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@H](Cn2ccnn2)C1 153360983 YNANVDWYWGSXDD-HOTGVXAUSA-N 355.446 1.374 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)C1 4941031 ZUALIPYXRLLCAY-LBPRGKRZSA-N 354.428 1.207 0 40 FDAB CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1 7599552 WCMVNJWHGAVILX-UHFFFAOYSA-N 365.480 1.758 0 40 FDAB Cc1c(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cnn1C 12185138 VVRIQWXISOXILA-CYBMUJFWSA-N 356.474 1.606 0 40 FDAB O=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23232081 RSMIGDHEYWCHGK-UHFFFAOYSA-N 358.421 1.636 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccc(=O)n(C)n2)C3)nc1 1888869868 QRPQPMORYKARHZ-IFXJQAMLSA-N 369.425 1.200 0 40 FDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 19680277 OBCXBLKPQAXWKG-JTQLQIEISA-N 358.268 1.801 0 40 FDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(N)=O 22571222 GTFVOWNYGLFTLW-JTQLQIEISA-N 366.370 1.657 0 40 FDAB CC(C)c1noc(COC(=O)c2ccccc2N(C)S(C)(=O)=O)n1 22751496 GOINKYHCAXMHSU-UHFFFAOYSA-N 353.400 1.946 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1cc(F)ccc1F)CCO2 2037983780 FVOBDKWHRJKMAY-GOSISDBHSA-N 354.397 1.803 0 40 FDAB COC1(CC(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)CCC1 1614937301 MPCSMZDXQUJQAN-LJQANCHMSA-N 372.469 1.290 0 40 FDAB O=C(Cn1ccnn1)N1CCC2(CC1)Cc1nccn1-c1ccccc1O2 1565554272 MQCQYUBPKKOJDZ-UHFFFAOYSA-N 364.409 1.460 0 40 FDAB COCCOC(=O)NC[C@H]1CCC2(CCN(c3cnccn3)CC2)CO1 1565552483 WSYWXKJFDRLHNV-OAHLLOKOSA-N 364.446 1.615 0 40 FDAB CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1579352 WRPLZGOCZPJKHO-AWEZNQCLSA-N 361.398 1.805 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCc2cn3ccsc3n2)c1 4003823 STQNFNGQHRWEME-UHFFFAOYSA-N 353.425 1.892 0 40 FDAB CCOC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 4519462 SMCLTRGTIVZCBE-AWEZNQCLSA-N 367.448 1.942 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCN3CCCC3=O)CC2=O)cc1 5123482 XGWHDQWRUSOLED-HNNXBMFYSA-N 358.442 1.412 0 40 FDAB COCCNC(=O)C1(Nc2ccccc2)CCN(Cc2cn[nH]c2)CC1 2055756470 PCMWMOVLRJDLDE-UHFFFAOYSA-N 357.458 1.619 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C2=NS(=O)(=O)c3ccccc32)C1 2086854847 YFHSZLWWRNDTCH-STQMWFEESA-N 355.419 1.417 0 40 FDAB C[C@@H](OCCCNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 40058855 IOWLEJJASWBXHN-OAHLLOKOSA-N 354.410 1.780 0 40 FDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2ccccc2n1 46051444 MYPUZJGWVXRPDO-APWZRJJASA-N 355.438 1.702 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(F)(F)F)c1C 2616809 OMIYNBCJDIYWSP-UHFFFAOYSA-N 350.293 1.644 0 40 FDAB Nc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(N)nc(N)n2)cc1 1559914 NSQWMHQMQRBAHJ-UHFFFAOYSA-N 357.399 1.086 0 40 FDAB CCOC(=O)[C@H]1CCCN(Cc2cc(=O)n3nc(CC)sc3n2)C1 32758259 KYAMZQLRZAYOOE-NSHDSACASA-N 350.444 1.489 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(CC(N)=O)cs3)CC2=O)cc1 21495569 XSJJIINQZVUEHZ-LLVKDONJSA-N 358.423 1.471 0 40 FDAB O=C(CN1CSC[C@H]1C(=O)N1CCOCC1)Nc1ccccc1Cl 32809759 QWMLLBSQNNWTSC-AWEZNQCLSA-N 369.874 1.512 0 40 FDAB Cn1nc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)ccc1=O 21711508 ZOZZGVVXVARVFI-UHFFFAOYSA-N 366.377 1.654 0 40 FDAB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 782971 FMWGUPBPLQSJOO-UHFFFAOYSA-N 374.462 1.907 0 40 FDAB CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974007 DROBNZNPZFMIMO-AWEZNQCLSA-N 354.472 1.964 0 40 FDAB CCCCn1nnnc1COC(=O)c1ccccc1N(C)S(C)(=O)=O 22989341 KSIOEBQVSPCXAH-UHFFFAOYSA-N 367.431 1.226 0 40 FDAB COc1ccccc1CN(C)C(=O)CCn1nnc2ccccc2c1=O 23595125 FDTAAHSPQOYSEY-UHFFFAOYSA-N 352.394 1.849 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@@H](C)O1 42697329 DTKYHDPAXXOXOH-GASCZTMLSA-N 357.458 1.885 0 40 FDAB Nn1cnn2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc12 1066317 URIOEYIENSODCW-UHFFFAOYSA-N 358.214 1.677 0 40 FDAB OCCN(CCO)C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421984 SWZSAKWLRXVQPQ-CQSZACIVSA-N 366.889 1.821 0 40 FDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(NC(=O)OC(C)(C)C)CC1 47539696 HJAQAHPSFSIRAR-LBPRGKRZSA-N 370.494 1.988 0 40 FDAB COc1ccc(OC[C@H](O)CN2CCN(Cc3cccnc3)CC2)cc1 61722117 WPMZFIWYXXZEOO-GOSISDBHSA-N 357.454 1.648 0 40 FDAB Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(=O)n(C)c1=O 12540766 JJKDUMRGKSMBPH-QGZVFWFLSA-N 362.389 1.855 0 40 FDAB CN(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O 22606489 WXNRRADDWIHLKL-UHFFFAOYSA-N 368.196 1.121 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1 47804856 BPUCYGWPDVNXNP-UHFFFAOYSA-N 368.455 1.400 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 170609944 KYKUIYWAQVIUIM-KFWWJZLASA-N 353.422 1.798 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCOc4ccccc43)cc2[nH]1 108875459 INZRKBFEDBUMLJ-NSHDSACASA-N 359.407 1.701 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)c2occc2C)CC1 58186455 HVSJQEWXQJMSIA-LBPRGKRZSA-N 350.419 1.016 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)Cc1cccc(F)c1 44882643 JBFLDHDPPRHLIC-UHFFFAOYSA-N 351.422 1.248 0 40 FDAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1C 22587447 UCCMSBARLBMIQU-KRWDZBQOSA-N 358.442 1.023 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1S(=O)(=O)N(C)C 12622585 BCSLXSYBNJQUJQ-UHFFFAOYSA-N 373.438 1.629 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2)n1 3355275 RGLZWVIJPPMXCB-QGZVFWFLSA-N 357.410 1.941 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)nc1 12740633 WEDBPPYUWMTXBF-GOSISDBHSA-N 356.357 1.935 0 40 FDAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(N)=O)nc2c1 3454680 WUOFCGJWWYGEKS-UHFFFAOYSA-N 369.402 1.750 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 3459945 DCGDRLWWNPHLOI-SFHVURJKSA-N 358.398 1.222 0 40 FDAB Cc1cccc(OCC(=O)NCCNC2=NS(=O)(=O)c3ccccc32)c1 3583398 IOGZNNKIKTVBCZ-UHFFFAOYSA-N 373.434 1.229 0 40 FDAB COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1OC 3617754 VHYBLWUQPQCFJP-UHFFFAOYSA-N 354.366 1.125 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccccc2SC)NC(=O)NC1 13011568 BUXJFXSAFLIBOX-UHFFFAOYSA-N 350.396 1.695 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2cccc(F)c2)NC(=O)N[C@@H]1C 6083449 VQBCSOMCJZSWJW-WSKFYRRCSA-N 362.357 1.901 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@@H]1CC(=O)N(Cc2ccco2)C1 5204383 OZYZKNYLPNLMRJ-LLVKDONJSA-N 373.390 1.441 0 40 FDAB CCN(C(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14136009 DBOIIQUXKJMARN-UHFFFAOYSA-N 370.434 1.895 0 40 FDAB COc1cc(OC)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 5538668 AJPFKVLDQRZXSG-LLVKDONJSA-N 372.377 1.987 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=S)NC2CCC(O)CC2)c1 5659393 ZSAISTFRMLGKNF-UHFFFAOYSA-N 357.501 1.527 0 40 FDAB CCOc1ccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 7029277 UHIKECNMNJIWDD-LLVKDONJSA-N 371.397 1.032 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC2(CC1)NCCc1nc[nH]c12 8996175 ZAMFHDZFNGGRNH-DUXPYHPUSA-N 366.421 1.815 0 40 FDAB Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 7548051 QSPGWAPMJXOAHK-VIFPVBQESA-N 363.395 1.624 0 40 FDAB C[C@@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)N[C@H]1CCCCNC1=O 68145887 UGLKPGSRXDMUCR-GWCFXTLKSA-N 374.409 1.226 0 40 FDAB COc1ccc(OCCNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 7815525 SWMCRBKPWHXBOX-UHFFFAOYSA-N 353.378 1.751 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2cc(Cl)ccc21 9061100 FLBNODGKQDYNJH-HNNXBMFYSA-N 372.812 1.575 0 40 FDAB COC[C@@H](C)NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16422363 DBNJIUWVIPDDJK-CYBMUJFWSA-N 374.407 1.764 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005330 PTGJOIZUYNDLAF-INIZCTEOSA-N 351.472 1.857 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)c(OC)c1 9303888 AIUJOXRMSJDLGH-NWDGAFQWSA-N 356.469 1.799 0 40 FDAB COc1ccccc1OCCNC(=O)c1cc(F)ccc1-n1cnnn1 72406056 GLUWGDODENTRER-UHFFFAOYSA-N 357.345 1.619 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 97497947 SVQJCHUXZVFLKK-SFHVURJKSA-N 358.486 1.644 0 40 FDAB CNC(=O)[C@H]1CCCN(C(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1 95465618 MYLJHMKUHUPLPW-BLLLJJGKSA-N 358.360 1.811 0 40 FDAB COC(=O)c1cscc1NC(=O)CN1CCN(c2ccccn2)CC1 95458466 HDWPCTBLRNBRDG-UHFFFAOYSA-N 360.439 1.690 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1 95949412 MNJKPISYGOYUMQ-AWEZNQCLSA-N 370.471 1.946 0 40 FDAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1C(F)(F)F 20635135 MFAVDFJJNUTTEO-NXEZZACHSA-N 362.329 1.719 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)c(C)c1 32647359 VDNWRFFEBZHTCU-UHFFFAOYSA-N 366.377 1.818 0 40 FDAB Cc1ccn2cc(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccnn3C)nc2c1 502305079 LYWSPUJMIBBQMU-SJKOYZFVSA-N 352.398 1.126 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1F 30291296 CHUJPHKOWZCFQO-NSHDSACASA-N 353.371 1.953 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)C(O)=NC3=O)ccc1O 5881820 FNODPKSKYNLQMS-UHFFFAOYSA-N 362.319 1.350 0 40 FDAB biogenic CN(CC(=O)NCCCN1CCCCCC1)S(=O)(=O)c1ccccc1 73573225 IIQZQPZWIOPOKI-UHFFFAOYSA-N 367.515 1.689 0 40 FDAB COCc1nc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cs1 564769250 ALSCEBDMYCCQMO-SFHVURJKSA-N 361.467 1.543 0 40 FDAB COc1cc(OC)nc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1 561194669 RXTBJGLJYIGREW-UHFFFAOYSA-N 363.462 1.065 0 40 FDAB O=C(N[C@@H]1CCSC1=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100469 HNKCCNFUKBVIQF-SECBINFHSA-N 373.316 1.323 0 40 FDAB Cc1noc(-c2ccn3c(CNC(=O)c4ccc5[nH]cnc5c4)nnc3c2)n1 225746575 RPUJGPXACADIKN-UHFFFAOYSA-N 374.364 1.894 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCO1 576561193 IAPFCDIJCRQKMA-SNVBAGLBSA-N 373.736 1.833 0 40 FDAB COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96215982 CBRPVOHDRJWQED-RHSMWYFYSA-N 354.472 1.284 0 40 FDAB CCN1C(=O)[C@@H](c2cnn(C)c2)CC12CCN(Cc1nccn1C)CC2 96199528 ZLOUWVLGPNCIGI-MRXNPFEDSA-N 356.474 1.524 0 40 FDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96241628 ZLPWLWIYTLEZAM-CYBMUJFWSA-N 356.451 1.945 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223288 IFVQMRKVDRINEY-IUODEOHRSA-N 356.423 1.143 0 40 FDAB CCn1nc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C(N)=O 96182116 XJDKVQAGIJDZKA-UHFFFAOYSA-N 365.415 1.070 0 40 FDAB O=C(NC[C@H]1CCC2(CN(Cc3ccccn3)C2)OC1)c1cccnc1 247460650 AQUQNKMLEHJZLE-MRXNPFEDSA-N 352.438 1.888 0 40 FDAB COc1cc(N2CC3(CC[C@@H](CNC(=O)c4cccnc4)CO3)C2)ncn1 247910113 UHHZWJTVPVNQTN-AWEZNQCLSA-N 369.425 1.296 0 40 FDAB CN(C)c1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cn2cccc12 257253093 JXNOBKGJCFFLHO-CYBMUJFWSA-N 351.476 1.386 0 40 FDAB COCC(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 257318032 VMFGEINWZKGZHV-GOSISDBHSA-N 353.422 1.607 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CCN1C(C)C 257325454 WSZOEMKROJEAMO-CYBMUJFWSA-N 372.391 1.690 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCc2cccnc2)n1 257333351 YBFVYVUYAPVVPH-GOSISDBHSA-N 353.426 1.804 0 40 FDAB C[C@@H]1COC(=O)N1c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257286628 PMHLZNCMYPTIMA-LLVKDONJSA-N 354.432 1.036 0 40 FDAB CCc1nccn1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257254284 KCLOFMVKRHTVII-LJQANCHMSA-N 357.458 1.330 0 40 FDAB CC(=O)NCc1nccnc1C1CCN(C(=O)CCn2ccnc2)CC1 257317472 VJVVMBCYNKZTNY-UHFFFAOYSA-N 356.430 1.106 0 40 FDAB CNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)Cc2cccs2)c1 257218427 DDCOCLPZTNMILX-KRWDZBQOSA-N 371.462 1.692 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccnn1C 592706779 WNTFKLRCDQPJFF-NHYWBVRUSA-N 360.345 1.016 0 40 FDAB CN(C)[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 599310452 ZQRHJZAKWUJDEJ-HUUCEWRRSA-N 373.906 1.483 0 40 FDAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 646035474 LNPGMBIJAAAOBQ-CYBMUJFWSA-N 357.432 1.253 0 40 FDAB COc1ccc(Cn2cc(NC(=O)[C@H]3CCc4nnnn4CC3)cn2)cc1 652032752 WUKKCJQCAUQYDE-AWEZNQCLSA-N 367.413 1.518 0 40 FDAB CC1(C)NC(=O)N(CCN2CCC(C(=O)N3CCCCCC3)CC2)C1=O 44648963 KASPJURZFZUDSB-UHFFFAOYSA-N 364.490 1.431 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCCN(c3ccc4nncn4n3)CC2)[nH]n1 1565523750 ZZTLQWJAZPMCHT-UHFFFAOYSA-N 368.445 1.497 0 40 FDAB CCCCN(Cc1noc(CCCC(=O)OC)n1)[C@H]1CCS(=O)(=O)C1 78806198 QSMWQLIWHWBFIZ-ZDUSSCGKSA-N 373.475 1.355 0 40 FDAB O=C(CCn1cncn1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669154 OJTIHFSYPPEIRN-UHFFFAOYSA-N 353.386 1.519 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccnc3)o2)cn1 19525049 BJAQFGHMARKUGZ-CQSZACIVSA-N 374.426 1.874 0 40 FDAB Cc1c(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cnn1C(F)F 19553122 UQWDCSZVKTZFHO-UHFFFAOYSA-N 372.353 1.743 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ncon1 154578135 PQXHZKIMFSSVQX-QWHCGFSZSA-N 364.427 1.348 0 40 FDAB CC(C)N1C[C@@H](C(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)CC1=O 12220180 SPQSFKAVCPDIMK-CABCVRRESA-N 369.469 1.931 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)N1CCCCC1 6906517 VMTVWSPGHCQJFO-UHFFFAOYSA-N 369.487 1.337 0 40 FDAB COc1cnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)nc1 1888866498 TUSPNYZSLWKSQA-OKILXGFUSA-N 352.442 1.645 0 40 FDAB NC(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 16811785 MPDWUQHBVIGYSA-QGZVFWFLSA-N 352.390 1.877 0 40 FDAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614932426 ABCFRIZYLHVSPW-MRXNPFEDSA-N 368.437 1.582 0 40 FDAB Cc1nc(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)cs1 1565551365 MLYGFTUQNNNFRW-HNAYVOBHSA-N 371.462 1.919 0 40 FDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941617 XATRYLYHILSLHW-CYBMUJFWSA-N 372.450 1.853 0 40 FDAB Cc1csc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)c1 2055759312 KXMBVZJLVXVJGI-AUUYWEPGSA-N 371.462 1.857 0 40 FDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(=O)[nH]c1 206838684 QPMGQYHLIJPCNJ-CQSZACIVSA-N 352.350 1.664 0 40 FDAB O=C(NCc1ccsc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 38586488 BWWWXTZIKZJYLL-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)o1 49522134 WYUSWRXTIGPJKC-OAHLLOKOSA-N 371.393 1.503 0 40 FDAB Cc1cc(C)n2nc(CC(=O)NCc3ccnc(-n4cccn4)c3)nc2n1 40106590 LIZSZXVXNGPNST-UHFFFAOYSA-N 362.397 1.181 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1 32102247 PPVYLVKHYREOEE-UHFFFAOYSA-N 355.847 1.399 0 40 FDAB O=C(Cc1ccc2ccccc2c1)NCCS(=O)(=O)N1CCOCC1 51985070 LOFMLVXIVGZWHV-UHFFFAOYSA-N 362.451 1.161 0 40 FDAB C[C@]12CC=CC[C@@H]1C(=O)N(CCN1C(=O)[C@H]3CC=CC[C@]3(C)C1=O)C2=O 101796575 IOWPIAKWRDDMBS-NSMLZSOPSA-N 356.422 1.669 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 46034964 KNNUFBGGMPIRTL-CQSZACIVSA-N 356.444 1.254 0 40 FDAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nn1cnc2ccccc2c1=O 17848983 NUEXCFWMZFNRRR-UHFFFAOYSA-N 362.389 1.836 0 40 FDAB Cc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(O)c3)s2)cc1 102242933 PCJFSTWLAORPCQ-NHLSHGKWSA-N 352.415 1.698 0 40 FDAB CCNC(=O)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 3455685 WSWVNSBKAMAHSS-UHFFFAOYSA-N 354.823 1.250 0 40 FDAB COc1nc(OC)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1 4965362 OMXAYBANJQOOLQ-UHFFFAOYSA-N 363.462 1.802 0 40 FDAB O=C(O[C@@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccccc1 4993882 CCNVUYNCAXIZSY-KURKYZTESA-N 364.401 1.554 0 40 FDAB biogenic COc1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1F 6126533 VLLRTZBLNWNCJC-UHFFFAOYSA-N 366.414 1.829 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C 6266345 XNXCJQXISZUOML-UHFFFAOYSA-N 350.396 1.420 0 40 FDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCC(=O)N1CCCC1=O 7177590 VHHMWCUIXYIVHJ-UHFFFAOYSA-N 369.299 1.747 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCc3sccc3[C@@H]2C)c(=O)[nH]c1=O 57580615 FGDFHNROZRRSQH-JTQLQIEISA-N 362.455 1.392 0 40 FDAB Cc1cc(C)nc(SCC(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 23640781 VKYAWRBNHDBEJX-OAHLLOKOSA-N 350.488 1.509 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1F 57525709 ZPVMORUTWYKUEB-UHFFFAOYSA-N 357.341 1.487 0 40 FDAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cnc2ccc(F)cc2c1=O 106136276 UZYOWZQLPAQIFU-KGLIPLIRSA-N 360.433 1.772 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 107226851 MUXNILKDRLRUSH-SJORKVTESA-N 353.488 1.487 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3255309 MDTLJFGPZIDOLQ-UHFFFAOYSA-N 354.428 1.786 0 40 FDAB CNc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10157666 FYWLYIBCCOYKEY-HNNXBMFYSA-N 365.437 1.709 0 40 FDAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cnc2c(cnn2C)c1=O 10260156 KFODKFRHOCQMNS-UHFFFAOYSA-N 369.469 1.805 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 28047441 AGKPIGNTEJYZAR-UHFFFAOYSA-N 366.487 1.349 0 40 FDAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NCC[C@@H]1CCCO1 58421116 BZOKBBKOGVHIKC-NADMHLTPSA-N 364.467 1.925 0 40 FDAB O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccccc1 28294269 DLZLVYBSRRTICU-SJLPKXTDSA-N 372.446 1.402 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1ccc2c(c1)OCO2 12862279 DWFWFKSEZBIDCF-UHFFFAOYSA-N 354.428 1.584 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)COc2ccccc2)c1=O 12918254 DEVRVZMLGSVQAF-JTQLQIEISA-N 356.300 1.406 0 40 FDAB CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1OC 12921503 CTOLYSQUBSTABO-UHFFFAOYSA-N 370.471 1.638 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 12943311 MHNMERLPQVKVSJ-UHFFFAOYSA-N 351.472 1.988 0 40 FDAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)s1 13101997 XWKOIHCQHLOALG-UHFFFAOYSA-N 363.428 1.133 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13237269 LZGJIZLJGGGOGX-AWEZNQCLSA-N 360.414 1.378 0 40 FDAB CCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 4046753 WLYRSPDJKBYMOV-GTNSWQLSSA-N 362.382 1.390 0 40 FDAB biogenic CC(=O)NCCNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 13636501 DJTLLXDEJULRJE-UHFFFAOYSA-N 359.411 1.709 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5068628 QPPRGLFVGFFXKF-QGZVFWFLSA-N 358.354 1.612 0 40 FDAB CC1=NN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@](O)(C(F)(F)F)C1 6263579 VVJJSNFJTPZMLH-ZDUSSCGKSA-N 354.292 1.064 0 40 FDAB COc1ccccc1NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 14184087 PZZQIBFHBOXITL-UHFFFAOYSA-N 360.366 1.829 0 40 FDAB COCCNC(=O)[C@H](CC(C)C)NC(=O)N1CCn2c1nc1ccccc12 5485286 NDJQYEOAJSEZLC-HNNXBMFYSA-N 373.457 1.743 0 40 FDAB NC(=O)NCCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9468328 HAZRORKFTNZAPW-UHFFFAOYSA-N 358.364 1.803 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CN2CCCC2=O)o1 6610005 VIGRYLIFMGVKQE-VXGBXAGGSA-N 352.460 1.979 0 40 FDAB CCN1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 22943822 MCZCUAYJOOVGHJ-HXUWFJFHSA-N 361.486 1.909 0 40 FDAB COc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(OC)c1 7251200 VLAUWYHQMNCNSR-UHFFFAOYSA-N 355.354 1.697 0 40 FDAB COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1cc(C)cc(C)c1 96013381 NEDZERLMELGJPC-UHFFFAOYSA-N 354.409 1.665 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(=O)O)c1 9883910 NHOMTTRSPNFLHL-UHFFFAOYSA-N 362.835 1.575 0 40 FDAB O=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 95965599 GCEGCVZGWPWGOI-CYBMUJFWSA-N 372.874 1.460 0 40 FDAB CCSc1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cn1 89275315 WYANIIUEMXFWER-UHFFFAOYSA-N 366.468 1.297 0 40 FDAB CCn1cc(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1 89305717 TXAPNFTXLRRILB-UHFFFAOYSA-N 357.338 1.721 0 40 FDAB C/C(NCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20294079 SXSMJYJLWBXUHW-JLHYYAGUSA-N 350.806 1.348 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408654793 KNQZXUQNMVMLKU-OKKJVPACSA-N 373.361 1.153 0 40 FDAB CN(C)C(=O)COC[C@@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306135024 OFECAIZOACZTSV-HNNXBMFYSA-N 371.437 1.504 0 40 FDAB CS[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 33228714 DAKZOGKFSMJLRM-ZDUSSCGKSA-N 370.496 1.474 0 40 FDAB Cc1c2nnn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2nn1C 32647420 NKJYXUXYKZDFBT-UHFFFAOYSA-N 366.303 1.491 0 40 FDAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2cnc(N)nc2)CC3)CC1 72335668 DPCIEPNXRQZOQP-UHFFFAOYSA-N 355.446 1.349 0 40 FDAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1 72359086 SIRRIBJGGQYOAY-HNNXBMFYSA-N 354.410 1.800 0 40 FDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(F)cc(Cl)c1 566831834 WEGHZGGLRFAQPX-PELKAZGASA-N 351.783 1.637 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccco1 225827933 HUOKHKLFNWTHAB-UHFFFAOYSA-N 366.439 1.788 0 40 FDAB COc1nccnc1O[C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 225492204 MIIBBTDAWQYMIF-AWEZNQCLSA-N 367.409 1.905 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)cc1F 75155730 BPURIDYYAGZKLS-KRWDZBQOSA-N 351.399 1.947 0 40 FDAB CN1C[C@@]23CN(C(=O)Nc4ccccc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146074 LGYVOYQUQWGOBJ-RIEGTJTDSA-N 371.846 1.359 0 40 FDAB O=C(NCc1cccs1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105254 KUNFPZHTVOOUMG-ZDUSSCGKSA-N 369.454 1.652 0 40 FDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(OC)cc1)C2 96060867 JRAUDYKDBNSAIS-KRWDZBQOSA-N 373.501 1.984 0 40 FDAB O=C(Cc1cccs1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255736 XAOUHAMCAKNIAH-UHFFFAOYSA-N 358.467 1.545 0 40 FDAB COCCN(CCOC)C(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 96347423 NJOOPPGIGCFPKW-UHFFFAOYSA-N 372.425 1.230 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(C(=O)C1CCOCC1)CC2 96047327 ATQXOOCDQSYPCV-UHFFFAOYSA-N 372.469 1.748 0 40 FDAB O=C(c1cc(F)cc(F)c1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247961880 YCFAJZBSYMHAPX-CQSZACIVSA-N 366.408 1.918 0 40 FDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(F)cc1 245237736 UEXNAESLOFSZSK-GUTXKFCHSA-N 369.418 1.172 0 40 FDAB CN1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 257367411 LKMOLOHEROWXEQ-ORZNMBHWSA-N 355.482 1.895 0 40 FDAB CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccco2)CC1 585080671 FPQDPZDPMLYAHY-UHFFFAOYSA-N 352.398 1.650 0 40 FDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1 257314952 UZGTYASBSYIXPH-OWSLCNJRSA-N 362.470 1.822 0 40 FDAB Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C 257323067 WIPIMQSMXNMIEA-WCVJEAGWSA-N 363.389 1.363 0 40 FDAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1cncc(F)c1 588903952 DPGKKTNELUVYOM-NSHDSACASA-N 356.404 1.469 0 40 FDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c2c(C)nn(C)c2n1 608195225 PJONNQNLZIBSPF-HNNXBMFYSA-N 369.450 1.960 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1Cc1cnn(-c2ccc(OC)cc2)c1 643765994 YJLMGPKXCGZWTN-LJQANCHMSA-N 358.442 1.608 0 40 FDAB O=C(Cc1ccccc1Cl)N[C@H]1CCN(c2nccn3cnnc23)C1 575414634 OTGCPMYMCZVTAY-ZDUSSCGKSA-N 356.817 1.715 0 40 FDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@@H]1C 585096455 OFWTXNOYKUUPAF-LBPRGKRZSA-N 362.455 1.814 0 40 FDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2cnc(C)nc2)C1 585268912 DJEVUYKXOMAJCH-LJQANCHMSA-N 357.410 1.722 0 40 FDAB CC(C)Oc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)n1 672262215 VZIRHTDXEQSKLB-MQVJKMGUSA-N 374.485 1.682 0 40 FDAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806630 AHXVWBLLBQTBIT-IPQOISQHSA-N 360.501 1.100 0 40 FDAB Cn1cnnc1[C@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 69922923 PMTMXOAUOGCENF-ZDUSSCGKSA-N 354.476 1.269 0 40 FDAB C[S@](=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)cc1 65565541 CQLJJWZGEDKXII-AREMUKBSSA-N 371.462 1.854 0 40 FDAB Cc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)cc1 1549162467 QJUZMQJUKLRRPV-INIZCTEOSA-N 369.421 1.263 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1)C(=O)O 5633368 UHZQNHHFDVABCG-OKILXGFUSA-N 364.398 1.365 0 40 FDAB C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCO1 12220949 XVTHLVBNNRGHCE-INIZCTEOSA-N 374.409 1.367 0 40 FDAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)CC1(CCOCC1)O2 12337442 IWLGNGLLNMORTB-HOCLYGCPSA-N 358.438 1.962 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)cc1C 18820625 DLGMJEZIJRRVHI-UHFFFAOYSA-N 356.378 1.963 0 40 FDAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(C)=O)nn3c(O)c2C1 19017918 WHIZVZQELVPWOR-MRXNPFEDSA-N 357.414 1.413 0 40 FDAB Cc1nccn1CCCC(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19288085 MXTXGBVTXIEQQG-INIZCTEOSA-N 369.469 1.881 0 40 FDAB CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19445515 QXYGULJHZFHOJL-QGZVFWFLSA-N 361.490 1.525 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500764 HSGRKWCSKYMMPD-ULMVMLMRSA-N 374.437 1.673 0 40 FDAB Cc1c([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n2c(nc1=O)CCC2 19554816 WXQUAQQOEHEVCP-HNNXBMFYSA-N 352.438 1.842 0 40 FDAB CNC(=O)c1[nH]c(C2CCN(C(=O)COC)CC2)nc1-c1ccc(F)cc1 19697030 AYUROOVXXQMAFG-UHFFFAOYSA-N 374.416 1.928 0 40 FDAB C[C@H]1CCCN(c2ncc(CN3CCC4(CC3)NC(=O)N(C)C4=O)cn2)C1 19715673 PHOQYNYVGCIFAQ-AWEZNQCLSA-N 372.473 1.229 0 40 FDAB CCN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)O)cn3)cn2)CC1 615624935 QLQZUZLYFLUPNR-UHFFFAOYSA-N 369.425 1.247 0 40 FDAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@H]4C[C@@](C)(O)C4)c3)cc21 668036674 LYGCXPPTTALTJL-DHFPXDALSA-N 352.394 1.984 0 40 FDAB CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)CC1 390827927 MEXNNCQMFBPZMF-UHFFFAOYSA-N 366.443 1.014 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)Sc3ccccc32)C1=O 5878498 VGNOCRIYTKBRED-NSHDSACASA-N 361.423 1.715 0 40 FDAB O=C(C[C@H]1COc2ccccc2O1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888865622 DWPMJCJNMYWTEZ-XHSDSOJGSA-N 366.421 1.601 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@H]4C3)ncnc21 1888885382 AZDNTBVOVKFHML-OKILXGFUSA-N 369.473 1.866 0 40 FDAB Fc1ccccc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1 1889109365 ZHFXQICJENYHLK-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)[C@H]3CCCc4ccccc43)C2)ccn1 1889149030 FKERRTSGXSIAJQ-KRWDZBQOSA-N 351.406 1.890 0 40 FDAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCC(Oc2ncccn2)CC1 240104280 UOIHEIBWZSDDNM-INIZCTEOSA-N 370.409 1.723 0 40 FDAB CCc1noc([C@@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 32760278 IDENWLJQXJETJD-OAHLLOKOSA-N 357.458 1.627 0 40 FDAB COCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 33709310 AZWPMLKCIVOOGC-OAHLLOKOSA-N 352.431 1.859 0 40 FDAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc[n+]([O-])c1 245174547 YRNUOXBRVIRUGN-UHFFFAOYSA-N 352.379 1.416 0 40 FDAB Cc1nc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)co1 2037839910 FDVWLVNKYKPIEG-SFHVURJKSA-N 359.357 1.770 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1614948469 XTSMMVOPXAOAPJ-GFCCVEGCSA-N 366.430 1.121 0 40 FDAB C[C@H](Sc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)O 4139113 PRYNOWHLDDIFDH-VIFPVBQESA-N 372.406 1.259 0 40 FDAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940576 KKYAISPOECWTFK-UHFFFAOYSA-N 352.456 1.972 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]n2)CC12CCOCC2 2055795931 VBFGFQLGANWLLY-AWEZNQCLSA-N 374.466 1.656 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)CCc2ccccc2)CC1 2055772329 XQEUVAKSCKBEDL-UHFFFAOYSA-N 354.454 1.922 0 40 FDAB CCCCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713446 QJUCFWSANFVDRG-OAHLLOKOSA-N 362.474 1.614 0 40 FDAB CCCNC(=O)CSc1nc(O)cc(CC(=O)NCc2ccccc2)n1 22629238 RDJPEEQCSGBVGI-UHFFFAOYSA-N 374.466 1.659 0 40 FDAB COc1ccc(CCNC(=O)NCc2cn(-c3ccncc3)nn2)cc1 575414289 BFNDQIFINDMXJZ-UHFFFAOYSA-N 352.398 1.713 0 40 FDAB CCOc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1OC 40108200 GZCDNEWTBOMMHA-CYBMUJFWSA-N 373.496 1.630 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 40159363 MCYUQTSCYHNQDP-INIZCTEOSA-N 353.325 1.947 0 40 FDAB CC[C@@H](C)NC(=O)CSc1nc2ncccc2c(=O)n1CCOC 31615801 WRDRRTYIQAUARZ-LLVKDONJSA-N 350.444 1.445 0 40 FDAB O=C(c1cccc(O)c1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 81021600 YTKWESDIMDPKGV-UHFFFAOYSA-N 364.409 1.326 0 40 FDAB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 102275314 ZKDGSNOLRICWTG-HUUCEWRRSA-N 372.421 1.960 0 40 FDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)OCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)O 3843348 PDZQDZYDKNSOJM-XJFOESAGSA-N 370.398 1.855 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC1CCCCCC1 6590033 XOPWESAWUUMAIW-UHFFFAOYSA-N 355.438 1.897 0 40 FDAB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 6856042 DZIAONWTPCFRAC-OXBCTQFSSA-N 365.432 1.898 0 40 FDAB COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 8115234 BGPCRCZAIAKIBJ-UHFFFAOYSA-N 358.350 1.687 0 40 FDAB COCCCN(C(=O)C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8988117 HVGUOTRQJAPNAE-UHFFFAOYSA-N 366.462 1.335 0 40 FDAB C[C@@H](OCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 42470374 SDAMVLSRPIPVPE-NVXWUHKLSA-N 368.499 1.942 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 107843559 VKPDLWZARIGJJS-ZDUSSCGKSA-N 368.455 1.155 0 40 FDAB CN1CCN(c2ccc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)cn2)CC1 76956438 VLTQFFPTDJUGCU-KRWDZBQOSA-N 356.401 1.915 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609489 RCLNDDRXBNRYAB-OAHLLOKOSA-N 368.499 1.688 0 40 FDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1cccs1)N1CCOCC1 24747548 WFKDYKKEKDGMDQ-CYBMUJFWSA-N 367.496 1.469 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nccn2C)c1 12563893 RJPYYHJUWQSILK-UHFFFAOYSA-N 363.395 1.724 0 40 FDAB NC(=O)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12543212 SFEVHPMDHNQLPK-UHFFFAOYSA-N 355.394 1.640 0 40 FDAB Cc1cccn2c(=O)c(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cnc12 90997275 OWTCRTWZBARDNC-INIZCTEOSA-N 362.389 1.055 0 40 FDAB Cc1cc(C)cc(OCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 56277101 JKHBQJVUUIJXDY-HNNXBMFYSA-N 354.472 1.470 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1 44697983 FTTOPKWXLBPIQM-CQSZACIVSA-N 363.443 1.410 0 40 FDAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 21187666 UTHJCIAAPDXKCL-GFCCVEGCSA-N 374.418 1.717 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(N2CCCCC2)CC1 58194334 NUOSXNUETKEXND-UHFFFAOYSA-N 354.458 1.682 0 40 FDAB CCOCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58264956 HTOAPYHHFYEHBH-HZPDHXFCSA-N 357.410 1.413 0 40 FDAB C[C@@H](COCC(F)(F)F)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl 58265205 AMQOWAVHORSACN-ZETCQYMHSA-N 374.768 1.685 0 40 FDAB Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@H]2C1 306143764 YLOBRHWSBGTYIZ-VXGBXAGGSA-N 358.471 1.240 0 40 FDAB COC(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 58343481 DZDOPQYCXDVWBD-CQSZACIVSA-N 351.378 1.211 0 40 FDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NCC(F)(F)F 27932162 PERJAQKKQFMUIV-UHFFFAOYSA-N 368.271 1.531 0 40 FDAB C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCCC1 48128639 JPMHZWYHMVHCNC-AWEZNQCLSA-N 365.499 1.589 0 40 FDAB CCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)n[nH]c1=O 28072663 DLNIZWMLRYDPFK-UHFFFAOYSA-N 351.819 1.935 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1 3365353 JFZUPSLLDUIYMY-UHFFFAOYSA-N 367.379 1.640 0 40 FDAB CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10968220 PCZHXGAAZQBOBL-UHFFFAOYSA-N 370.388 1.688 0 40 FDAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)sc2ncn(C)c(=O)c12 11545340 KULDTIYLBLAHMT-UHFFFAOYSA-N 370.438 1.056 0 40 FDAB COCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 12772195 ITBMYGXREFSNNO-UHFFFAOYSA-N 355.188 1.198 0 40 FDAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1Cc2ccccc2O1 48325108 VSKBIDNLLMHAAH-MRXNPFEDSA-N 351.362 1.681 0 40 FDAB Cc1nc(C)c(CC(=O)NCc2ccnc(-n3ccnc3C)c2)c(=O)[nH]1 48309709 RSRVDHAJXOIFER-UHFFFAOYSA-N 352.398 1.135 0 40 FDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Br 12890865 PFXTWSNNLQDMSQ-SECBINFHSA-N 352.188 1.177 0 40 FDAB COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)NC(N)=O)s1 3494516 ZTWZRMCBMCGHPS-ZETCQYMHSA-N 353.429 1.966 0 40 FDAB CCN(C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C1=CCCC1 12924513 GYXGSLNFAQHGAZ-UHFFFAOYSA-N 357.332 1.882 0 40 FDAB COc1ccc(OC)c2c1cc(C(=O)NCC(=O)NCc1ccco1)n2C 13733545 PNWJHAYYCRTIKB-UHFFFAOYSA-N 371.393 1.835 0 40 FDAB CN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 23421690 GVKBMVHBUIQPMZ-UHFFFAOYSA-N 351.472 1.295 0 40 FDAB COc1ccc(OC)c(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4304000 JMQAUSHOVQKWSF-UHFFFAOYSA-N 369.381 1.001 0 40 FDAB CCC[C@@H]1NC(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1=O 14187584 BGRGFRKUNATOBF-NSHDSACASA-N 360.370 1.974 0 40 FDAB COC(=O)CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14200978 JBHVLSIYBHLZII-UHFFFAOYSA-N 363.439 1.475 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1 4738748 RJYFEBFIEBCEPM-UHFFFAOYSA-N 362.455 1.613 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(-n2cnnn2)c1 6881872 WKVPFBAIMZASTN-UHFFFAOYSA-N 350.338 1.026 0 40 FDAB COC(=O)c1cc(NC2=NS(=O)(=O)c3ccccc32)cc(C(=O)OC)c1 4973288 BVJKYODLBZNUED-UHFFFAOYSA-N 374.374 1.821 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCOc2ccccc21 7138076 YLGYRSHFSDZAIR-MRXNPFEDSA-N 365.389 1.720 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCCCC1 8747459 HVEQWPCDFSMYBR-CQSZACIVSA-N 365.499 1.878 0 40 FDAB CCNC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 18223374 YEMCLDPMTPAOFT-UHFFFAOYSA-N 350.378 1.785 0 40 FDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccncc2)c2ccccc21 9061153 IGESXEAWVUFFQO-MRXNPFEDSA-N 352.394 1.310 0 40 FDAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(NS(C)(=O)=O)cc1)C(=O)O 71257230 KVAQHAYIHFSBMU-GFCCVEGCSA-N 358.416 1.579 0 40 FDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCc2ncccc2F)C1 96005510 RXQQLNXWVGOSKB-AWEZNQCLSA-N 369.462 1.821 0 40 FDAB CCN1CCN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 19991869 PQUZWKDRWHRTDI-UHFFFAOYSA-N 353.488 1.397 0 40 FDAB CC(C)CC[C@@](C)(O)CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 72304536 PWDGWYXVWTYRLI-DNVCBOLYSA-N 350.459 1.874 0 40 FDAB CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCCN(C)C3)cc21 97212559 UZZOHXCCBLIPNG-HNNXBMFYSA-N 351.472 1.358 0 40 FDAB Cc1nc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc1C 72403414 ULSJGUDRMPMMPQ-UHFFFAOYSA-N 351.409 1.543 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NCc1cccc(F)c1 72403471 WLGPFTUSYMGAFC-UHFFFAOYSA-N 371.416 1.369 0 40 FDAB C[C@H](CNC(=O)C(=O)Nc1cn(C)nc1-c1ccncc1)N(C)C1CC1 84638283 ALPGMKSHZFCQIM-GFCCVEGCSA-N 356.430 1.020 0 40 FDAB CN(C)c1ncccc1CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999942 LJIDDFJGFCBNRG-UHFFFAOYSA-N 374.466 1.092 0 40 FDAB CS(=O)(=O)C[C@H](NC(=O)NCCCn1ccnc1)c1ccccc1 89484166 MPECBVDDCGEJJJ-HNNXBMFYSA-N 350.444 1.358 0 40 FDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408560749 PUVZGSGNNDVKQB-CYBMUJFWSA-N 358.460 1.213 0 40 FDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 75109984 HXHKAHARMGRKOU-NRFANRHFSA-N 364.920 1.333 0 40 FDAB Cn1cccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 75354257 NVIRTHNAEDKWHG-HNNXBMFYSA-N 355.394 1.675 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 24606051 IJHSTNDGFVJXTH-SECBINFHSA-N 369.270 1.911 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)C1CC1)C2)c1cccs1 306126468 DWTTVHJGFPPXKS-KDOFPFPSSA-N 371.466 1.843 0 40 FDAB Cn1c(O)nc2ncc(-c3cccc(C(=O)N4C[C@@H](O)C5(CC5)C4)c3)cc21 548637357 DCMGDUGRZRFMDN-MRXNPFEDSA-N 364.405 1.938 0 40 FDAB CCOC(=O)[C@@H]1C(=O)CN2CCc3c([nH]c4ccccc34)[C@]12C(=O)OCC 73258312 FGPODTSCBRPJFL-JXFKEZNVSA-N 370.405 1.546 0 40 FDAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)Nc1ccn(CCO)n1 565694661 QYAVYIZTIXAJKG-UHFFFAOYSA-N 362.340 2.198 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3Cc3ccccn3)nc2n(C)c1=O 72377302 PLLKWNZSWWDMPL-KRWDZBQOSA-N 365.437 1.754 0 40 FDAB Cc1nccc(-c2ccc(-c3noc(CN4CCNC(=O)C4)n3)cc2)n1 72340142 SHQXMEYVAPKZHS-UHFFFAOYSA-N 350.382 1.434 0 40 FDAB CC(C)Nc1nc(CN(C)S(=O)(=O)c2ccccc2)ncc1C(=O)O 49469571 VFANWTUKBGFGML-UHFFFAOYSA-N 364.427 1.816 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)c1 45744732 HBNPIVSVLUHLKD-AWEZNQCLSA-N 354.472 1.874 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N(CC(F)(F)F)C2CCOCC2)CC1 75166664 SZZJPBUSRFPAEV-UHFFFAOYSA-N 372.409 1.228 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 222322186 KOSWIMVJIVWSQI-KOZAUXTDSA-N 364.195 1.645 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)NC(C)C)CC[C@@]1(C)O 514289965 PVAVDOYJPOOLDV-JENIJYKNSA-N 363.458 1.434 0 40 FDAB biogenic,in-vitro CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)s1 223933370 VLIZHNATMJWDDM-UHFFFAOYSA-N 370.456 1.716 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 96226144 QHXCIBBQLCFMLM-CRAIPNDOSA-N 358.398 1.255 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC[C@H](N2CCCCC2)C1 1586317958 XXIJQGVFXODGDG-HNNXBMFYSA-N 369.462 1.191 0 40 FDAB O=C1NCC[C@@]12CN(Cc1cccnc1)CC21CCN(CC2CC2)CC1 96036348 VAKAIYVGNPDGPW-OAQYLSRUSA-N 354.498 1.896 0 40 FDAB Cn1ccnc1CN1CCc2ncn(C)c2[C@H]1COCc1cccnc1 96187723 AEWCWJBYLVMYLB-QGZVFWFLSA-N 352.442 1.865 0 40 FDAB COc1cccc(S(=O)(=O)N2CCC[C@]3(CN(C(C)=O)CCO3)C2)c1 96157150 AHWWHWCQLCDMPE-KRWDZBQOSA-N 368.455 1.097 0 40 FDAB O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccccc2F)CC1 90609894 NEINQQFPZIHKEY-CYBMUJFWSA-N 374.441 1.453 0 40 FDAB CC(C)N1CCN(c2ccc3ccc(C(=O)NCCN(C)C)cn23)CC1 96156081 PKCJRKQUSWUXIO-UHFFFAOYSA-N 357.502 1.761 0 40 FDAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159004 KXBWPSDBIZALKW-UHFFFAOYSA-N 352.438 1.917 0 40 FDAB Cc1cccc(CN2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)c1 247883082 CLMDNSFFIKYYQG-KRWDZBQOSA-N 373.478 1.853 0 40 FDAB C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)NC(CO)CO)ccc2O1 257338480 YXPCIIIUBQBUET-HXUWFJFHSA-N 359.397 1.845 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257289548 PZCSHKFGVWACGW-ATUDVECKSA-N 368.481 1.748 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257319024 VQJFQZPASBCLFE-SFHVURJKSA-N 359.430 1.114 0 40 FDAB Cc1cc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)n2ncnc2n1 361801580 VBKONBWKIDBGDC-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CCc3ccccc3F)[C@H]2C1 656942249 GYAKYBFUORWKBS-PVAVHDDUSA-N 357.447 1.966 0 40 FDAB Cc1cnn([C@H]2CCCN(C(=O)CCn3cnc4c(N)ncnc43)C2)c1 668357272 HLYLEEVXQWMZJI-ZDUSSCGKSA-N 354.418 1.167 0 40 FDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)c3ccc4c(c3)COC4)C2)OC1 575406056 XESXKLWBRGIUSM-HNNXBMFYSA-N 370.449 1.960 0 40 FDAB Cc1nc(C)c(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)s1 585273470 RQVVTKBCZSNIGS-UHFFFAOYSA-N 367.408 1.210 0 40 FDAB Cc1nnc2ccc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nn12 585501661 AYTZKVCWNXPRRA-UHFFFAOYSA-N 365.441 1.783 0 40 FDAB CN(C)C(=O)CNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 73404190 SUZYCQGBLSAJKH-HNNXBMFYSA-N 368.275 1.790 0 40 FDAB O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2cccc3nccn23)n1 547694401 SQQANPLWXDSVDS-AWEZNQCLSA-N 352.398 1.947 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 12087151 BCQHXJSNEJOSQL-UYAOXDASSA-N 358.438 1.968 0 40 FDAB C[C@@H](CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21)n1cncn1 12201438 KTZZIBYDIDMDHA-ZDUSSCGKSA-N 371.441 1.678 0 40 FDAB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14240229 QYOHEIPCGJQCMW-VIFPVBQESA-N 370.460 1.021 0 40 FDAB CCCCN(C(=O)c1cnc(C)cn1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14624110 WTXBCWYFPGJRMN-UHFFFAOYSA-N 374.445 1.464 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500746 OWDXQNUTULMXQF-XLPNERPQSA-N 360.410 1.370 0 40 FDAB Cc1ncncc1C(=O)N[C@@H](C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 19553013 SNHUEOQJJQKHJJ-ZDUSSCGKSA-N 356.430 1.596 0 40 FDAB CCCCOC(=O)c1cccc(NC(=O)CSc2cn[nH]c(=O)n2)c1 19793985 RHEFBSFEHKZVQU-UHFFFAOYSA-N 362.411 1.853 0 40 FDAB COc1ccc(C)c2sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 17026786 LMBOCAUSBLTIEA-SNVBAGLBSA-N 369.468 1.976 0 40 FDAB CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O 26026012 DHSUYTOATWAVLW-MMURARSESA-N 358.460 1.433 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CC(=O)N2CCC(C)CC2)C1 583618905 FIDDRCGIELDULE-CABCVRRESA-N 358.446 1.145 0 40 FDAB Cc1cc(C(F)(F)F)nc(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)n1 1888849686 JAMDYVOUUCTLCJ-CYBMUJFWSA-N 371.407 1.935 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@@H]4C3)nn12 1888882037 XQGIUAKPTLQGCE-KBPBESRZSA-N 367.388 1.175 0 40 FDAB CCc1ncnc(N2CCCN(c3ncnc4c3ncn4C)CC2)c1F 1888888026 CTQDJIHDDKGMBW-UHFFFAOYSA-N 356.409 1.572 0 40 FDAB Cc1cc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n2nccc2n1 1888897285 LCLVTFNFHZZVLH-UHFFFAOYSA-N 351.414 1.737 0 40 FDAB O=C(c1cnc[nH]1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889208395 GCFXLCRAAZRILP-UHFFFAOYSA-N 350.382 1.945 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008450 FVVVFNIHCCHQON-INIZCTEOSA-N 372.400 1.795 0 40 FDAB CC(C)N1C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CC[C@@H]2OCC1=O 2037983619 AKQROMSLQDMRGI-SJORKVTESA-N 360.454 1.916 0 40 FDAB Cc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037984988 UMLRVIQQKKAUQF-ZHALLVOQSA-N 351.406 1.513 0 40 FDAB C[C@]1(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)CC=CCC1 1614939843 ZLHSJHUAVHDHJR-SFHVURJKSA-N 354.414 1.736 0 40 FDAB O=C([C@H]1CCOC1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565545706 LFKJSKPJBOGBPI-ZDUSSCGKSA-N 354.414 1.141 0 40 FDAB O=C(CSc1ccncc1)N1CCCN(c2ccc3nncn3n2)CC1 1565523272 JKNFWHMAKMAAHA-UHFFFAOYSA-N 369.454 1.350 0 40 FDAB O=C(c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O)N1CCc2ccccc21 4033828 FYUMQVWOGCOTRD-UHFFFAOYSA-N 351.337 1.868 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 9571258 SOTHACYFTYRZQY-UHFFFAOYSA-N 363.374 1.289 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)nc2n1 24020516 MPNGPNQYOINTPO-UHFFFAOYSA-N 350.338 1.219 0 40 FDAB O=C1CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2ccccc2N1 103051066 AERBFHONCILGMW-CHWSQXEVSA-N 355.394 1.537 0 40 FDAB CC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 40096989 JYEWSVXOFAVYSI-UHFFFAOYSA-N 354.476 1.766 0 40 FDAB CCc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1C 40127832 YDXMFBRZAPHMAY-UHFFFAOYSA-N 350.429 1.457 0 40 FDAB Cc1cccc([C@H](CNC(=O)CCNc2ncccn2)N2CCOCC2)c1 40154361 JUPSOQHIQBRORH-SFHVURJKSA-N 369.469 1.777 0 40 FDAB CCC[C@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451361 SDHNESAEHHZQDE-VIFPVBQESA-N 372.347 1.419 0 40 FDAB O=C(NCCCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(O)c1 69433735 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352.350 1.939 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCCCC1 14187336 IAUPZTARSANHHN-ZDUSSCGKSA-N 351.472 1.488 0 40 FDAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 14108393 WQKZIYJLGPZFNR-UHFFFAOYSA-N 367.427 1.237 0 40 FDAB C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccc2c(c1)CCC2 14240204 ARVZYEJAYCWVGF-QMTHXVAHSA-N 359.382 1.034 0 40 FDAB CC(=O)N[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C 6846822 PYFSVLKLSUNUKF-MRXNPFEDSA-N 367.471 1.570 0 40 FDAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCc2nc(N)nc(N)n2)c1C 6990333 JQXVVEAHOSGRTE-UHFFFAOYSA-N 362.415 1.420 0 40 FDAB Cc1ccc(O)c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 15126044 VOROBSRUZLLEKJ-UHFFFAOYSA-N 372.377 1.435 0 40 FDAB CCN(CC)C(=O)CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cn1 67948615 GJYHSZSUXDHSKC-UHFFFAOYSA-N 368.503 1.561 0 40 FDAB CC(C)n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 8129105 DRIJMJODDIECFX-UHFFFAOYSA-N 360.443 1.877 0 40 FDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCc1ccco1 71848352 JOMXYVLRSBVHBX-ZDUSSCGKSA-N 350.440 1.992 0 40 FDAB CCOc1ccc(C[C@H](CNC(=O)c2ccc(=O)n(C)c2)C(=O)O)cc1 95425277 NCCBMUMPDYOHBE-OAHLLOKOSA-N 358.394 1.457 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C[C@H](C)c2nnn[nH]2)ccc1Br 95941937 WTLQSNQBOAEVRC-VIFPVBQESA-N 374.264 1.695 0 40 FDAB Cn1c(=O)c2c(nc(N)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 72226889 XBBFZPJLNNDZHN-UHFFFAOYSA-N 354.197 1.371 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2Cl)cc1 38717891 WEEFGFVBZRZUNC-UHFFFAOYSA-N 367.814 1.242 0 40 FDAB O=C([C@H]1CCCN(c2ncccc2Br)C1)N1CCOCC1 362900666 DTTNBSBQTVBRQH-LBPRGKRZSA-N 354.248 1.919 0 40 FDAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(CO)CO)C3)ncn2)n1 72384851 LOSZQCRLZWNGNE-OAHLLOKOSA-N 357.458 1.531 0 40 FDAB CN(C[C@@H]1CCCN(C(=O)c2snnc2C2CC2)C1)S(C)(=O)=O 329738451 UGGIUNQGFYFTQY-JTQLQIEISA-N 358.489 1.159 0 40 FDAB O=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3cccnc3)C2)C1)C1CC1 96218397 ACJQUTFNOKTHIH-DOTOQJQBSA-N 351.472 1.287 0 40 FDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2N1C(C)C 96182702 GRCPBODELYAGML-KFWWJZLASA-N 359.426 1.085 0 40 FDAB 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KTKVRAOZSXQNJS-UHFFFAOYSA-N 363.381 1.308 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)CC1(O)CCC1)C2 1565553483 ZZWBGOBZCXFVDA-APWZRJJASA-N 357.454 1.584 0 40 FDAB Cc1ncnc(OCC2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 1565520702 HRWHPFNWRDOBNU-UHFFFAOYSA-N 354.476 1.525 0 40 FDAB COc1cc(C(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC 3519810 UUZXYEOLHIWHON-UHFFFAOYSA-N 371.349 1.632 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1nc2ccccc2[nH]1 11927745 KDLPZPXSQZVJDK-UHFFFAOYSA-N 368.397 1.179 0 40 FDAB COc1ccc(CNC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)cc1 16840705 BRWILGUVAPUNJT-UHFFFAOYSA-N 367.409 1.095 0 40 FDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cc(C)cs1)C2 2055773131 ZWVQZZHOHXFWSU-RHSMWYFYSA-N 352.456 1.440 0 40 FDAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(Cc3ccccc3)CC2)[nH]1 2055704350 SHLCUFQWBGLJFQ-UHFFFAOYSA-N 364.453 1.669 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)OC(C)(C)C)C3)n2)n1 1775969650 DZAUTIKVGQRYCN-UHFFFAOYSA-N 359.430 1.913 0 40 FDAB CCn1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1=O 23136335 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40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 101455165 XTQKWEZQNHKGGV-KRWDZBQOSA-N 351.406 1.915 0 40 FDAB CCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 29607977 RVRCYTQAFPKTRY-LBPRGKRZSA-N 357.451 1.093 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(c2cnccn2)C1 29756224 IIXYWMLQRJVWAI-HUUCEWRRSA-N 354.410 1.649 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 4163151 AUYFZVWCDPWHLQ-CJNGLKHVSA-N 370.471 1.535 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 6327840 ZNLKZNBHVNQQHG-OAHLLOKOSA-N 354.472 1.601 0 40 FDAB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(OC)c1O 6951466 QKCIVPABCQNJBX-WUXMJOGZSA-N 369.333 1.471 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NCc3ccccc3)c(=O)c12 7552743 UHJPCEWKKPPLPP-UHFFFAOYSA-N 369.377 1.791 0 40 FDAB COc1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)c(OC)c1 7980449 UQUZBJCHCDZQMX-UHFFFAOYSA-N 368.349 1.719 0 40 FDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cccc(-n2cnnn2)c1 96997589 WJXWIYXNOAJSBB-UHFFFAOYSA-N 366.381 1.290 0 40 FDAB CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8299279 OXSAKFQVHVFSQB-QGTPRVQTSA-N 354.458 1.347 0 40 FDAB biogenic,in-vitro COC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476175 VKUKRRXRWMLCLM-GFCCVEGCSA-N 356.444 1.244 0 40 FDAB CCOC(=O)c1nnn(-c2ccc(NC(=O)c3ccncc3)cc2)c1N 33435973 PJYJRBNAFFUCLB-UHFFFAOYSA-N 352.354 1.674 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1c(F)cccc1F 103400911 VDQKBTOGCZLRDG-NXKWAJLKSA-N 360.360 1.431 0 40 FDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 23248800 XWASETDZQMIONF-AWEZNQCLSA-N 364.465 1.685 0 40 FDAB COCCNC(=O)NC(=O)CSc1nnc(C)n1-c1cccc(C)c1 9816351 VPXJJLSFOQLMLF-UHFFFAOYSA-N 363.443 1.448 0 40 FDAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(O)c1 959878 LPRURGCSSTWSCI-CQSZACIVSA-N 371.393 1.184 0 40 FDAB COCCn1cnnc1CN(C)Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1 23398582 NJBNSBLFTNQHEY-UHFFFAOYSA-N 368.441 1.615 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCOc1ccc(Cl)cc1 105764287 VXATZJXOVGJUOT-IYVPYFHTSA-N 374.824 1.642 0 40 FDAB CCc1ccc2nc(NC3=NC[C@@H](CC(=O)OC)C(=O)N3)nc(C)c2c1 22607708 AHTFEBDUNMLQTC-GFCCVEGCSA-N 355.398 1.578 0 40 FDAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 107341046 SMTGPBCQWATPCX-OCCSQVGLSA-N 355.435 1.138 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)NCc2cccnc2-n2cccn2)c1 43868366 BNCDMOJLSNVTAI-UHFFFAOYSA-N 371.422 1.993 0 40 FDAB CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)[C@H](CN)C1 97019732 UBDDJEVTLRZMQN-OAHLLOKOSA-N 357.458 1.160 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 26983897 VMZXMSDYNBSQRU-MRXNPFEDSA-N 370.496 1.360 0 40 FDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 10109478 SDJAEEJUZKHMNS-JTQLQIEISA-N 356.753 1.997 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCc3sccc3[C@H]2C)c(=O)[nH]c1=O 57580618 FGDFHNROZRRSQH-SNVBAGLBSA-N 362.455 1.392 0 40 FDAB CC(C)Cn1nnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 12601464 ZYYZCUDNEYOAON-GFCCVEGCSA-N 363.443 1.377 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)C1 12616683 WGENRABAUHFTQI-BETUJISGSA-N 358.394 1.330 0 40 FDAB Cn1cc(CN2C[C@H]3[C@@H](C2)N(Cc2cccnc2)C(=O)c2cccn23)cn1 306123308 AJQNUFQHRHTGCF-RBUKOAKNSA-N 362.437 1.698 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1 29250804 BHENSAYJVPRKAF-UHFFFAOYSA-N 360.435 1.826 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(S(C)(=O)=O)cc1 12910539 VEDXWPMWECSMLO-LLVKDONJSA-N 374.418 1.912 0 40 FDAB O=S1(=O)C[C@H](NCc2ccccc2)[C@@H](S(=O)(=O)c2cccs2)C1 13371090 VISWZARCVHXKBL-KBPBESRZSA-N 371.505 1.477 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1 5061971 XENWMOKEELBGIC-UHFFFAOYSA-N 360.341 1.560 0 40 FDAB CC1=NN(Cc2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4316623 BHLYFQCPSUZPEF-UHFFFAOYSA-N 372.816 1.483 0 40 FDAB CCOC(=O)C(=Cc1nnsc1N1C[C@H](C)O[C@@H](C)C1)C(=O)OCC 5242867 LQDQHIAGEIDISB-QWRGUYRKSA-N 369.443 1.661 0 40 FDAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cn2cncn2)cc1 14140218 NMNUEOAEWJEVHN-UHFFFAOYSA-N 361.361 1.920 0 40 FDAB Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4584528 MFSFZRWAOIRGDY-UHFFFAOYSA-N 368.440 1.120 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)cc2F)C1=O 6542170 GFROOBBXPYEJPO-UHFFFAOYSA-N 371.752 1.291 0 40 FDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1 5788165 PIKZNSMAQCVGNV-NTZNESFSSA-N 352.387 1.224 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCCc1ccccc1 5871437 WCFIOJFYSPNXIO-UHFFFAOYSA-N 365.389 1.336 0 40 FDAB CCOCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 4913880 VJLODHNLFAOFAG-UHFFFAOYSA-N 350.400 1.643 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)c1ccnc(OC3CCC3)c1)CC2 90063537 JUFGHMJLPPNOLL-CYBMUJFWSA-N 357.414 1.496 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3sc(C(=O)N(C)C)c(C)c3c2=O)c1 67334669 DHVZOVYJEHWLDN-UHFFFAOYSA-N 359.407 1.759 0 40 FDAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc2c1OCCO2 7127907 FANRFAZHAMUGHA-INIZCTEOSA-N 351.366 1.912 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCCn3cccc3)CC2=O)c(OC)c1 71288290 CURHBJMDKWQRQF-CQSZACIVSA-N 357.410 1.675 0 40 FDAB Cc1nnnn1-c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 71286090 ZRXYUAHZDXIMKG-UHFFFAOYSA-N 362.437 1.929 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncn[nH]1 15869404 RAXQBRFWQRJMRP-UHFFFAOYSA-N 355.445 1.094 0 40 FDAB CCS(=O)(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 16693587 NRLRKHYEMASCKZ-SFHVURJKSA-N 374.418 1.861 0 40 FDAB C[C@H](CNC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 9253140 NCVLTBRAFCINQS-CYBMUJFWSA-N 357.435 1.645 0 40 FDAB COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73334514 JHBHQFUZSMRXLO-RDJZCZTQSA-N 359.470 1.769 0 40 FDAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409289246 LTACZUYLQZYWHP-JEWRLFTDSA-N 373.361 1.080 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CN(c2ncccn2)Cc2ccnn2C1 306127054 FMZMNXNNQNZNOV-CQSZACIVSA-N 351.414 1.078 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)COc2ccccc2C)C1 65722511 BKDKYCRJGDBZRQ-CVEARBPZSA-N 368.499 1.940 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218346053 WHFOXFFJNLWRJE-OLZOCXBDSA-N 358.387 1.449 0 40 FDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nccs1 79494853 MKZDUGXPJCTVBB-UHFFFAOYSA-N 359.455 1.609 0 40 FDAB Cc1c2ccc(NC(=O)N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)cc2nn1C 557560174 HCOGSYFNVNTLCJ-YOEHRIQHSA-N 368.441 1.855 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](c3ccsc3)C2)cc1 675008286 OMSAZYXHXDJCTE-LBPRGKRZSA-N 366.464 1.790 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O 71288052 PHLDSHOBEHZFLK-CHWSQXEVSA-N 352.412 1.304 0 40 FDAB O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)Nc1nccs1 72334241 KEVTURWNTNGBLU-SFHVURJKSA-N 372.450 1.739 0 40 FDAB Cc1noc([C@@H]2CCN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)C2)n1 329087360 VBUONVJQPQIEPW-RHSMWYFYSA-N 374.416 1.907 0 40 FDAB O=C1CCc2cc(S(=O)(=O)Nc3cnc4ccnn4c3)cc3c2N1CC3 225576633 ZBLLJDCCKISYTJ-UHFFFAOYSA-N 369.406 1.365 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2C)CC1 227150090 LHXHMIADJCJQSF-OAHLLOKOSA-N 356.426 1.639 0 40 FDAB Cc1c(CCC(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)cnn1C 583619166 GWOOYXGARUDAFW-ICSRJNTNSA-N 356.470 1.849 0 40 FDAB COc1ccc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)cc1 96049508 MJZZAUQGCOBXJE-FQEVSTJZSA-N 371.485 1.928 0 40 FDAB CCN1C(=O)[C@H]2CN(CCOC)C[C@H]2C12CCN(C(=O)CC(C)C)CC2 96143616 UXYFSFPWNYTZQP-DLBZAZTESA-N 365.518 1.450 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96186989 NKJOSZGVGSPTSK-OAGGEKHMSA-N 358.467 1.976 0 40 FDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 96061707 CZRBUWVFGHQOOK-CVEARBPZSA-N 351.497 1.878 0 40 FDAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 247804980 AFJDHMNJEOQXRK-HNNXBMFYSA-N 366.425 1.969 0 40 FDAB O=C(c1ccnnc1)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247875224 SQGMQHFDJBIBFI-AWEZNQCLSA-N 355.398 1.357 0 40 FDAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCC1CCOCC1 247841977 FTBXKNQJISDORX-SFHVURJKSA-N 362.474 1.352 0 40 FDAB CN(C)S(=O)(=O)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257242121 IBEMUPLLEUCZAB-OAHLLOKOSA-N 369.418 1.584 0 40 FDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 257288912 PWEUXSBHYICRGZ-NRFANRHFSA-N 357.498 1.390 0 40 FDAB Cc1nc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)ccc1C(=O)O 263329118 LMFLQTBSISFVAN-UHFFFAOYSA-N 355.394 1.763 0 40 FDAB C[C@@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)n1cnc2c(N)ncnc21 668812983 VLMFEXJLBSKSKM-GXTWGEPZSA-N 367.413 1.182 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 298877799 YNWGUOWRXPZUDT-UHFFFAOYSA-N 354.428 1.394 0 40 FDAB CN(C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575425142 YFBIFXRXJLBTGU-OAHLLOKOSA-N 368.480 1.494 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585276794 JERDMMKNDFMVCO-INIZCTEOSA-N 353.781 1.648 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)C1CC1 585112532 RXNWGEOHXKLHQU-INIZCTEOSA-N 361.471 1.307 0 40 FDAB O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 69965935 GBLUDJDKIXWPGT-UHFFFAOYSA-N 352.394 1.658 0 40 FDAB CC(C)N1CC[C@@H](N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)C1=O 661177751 RNNWTXOTQZJLPI-IXDOHACOSA-N 355.438 1.113 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 580898549 OCURKXYTYZUSOT-DLBZAZTESA-N 367.467 1.878 0 40 FDAB O=C1OC2(CN(Cc3ccncc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162351 PHXCTOUUWBDJKF-IBGZPJMESA-N 364.449 1.973 0 40 FDAB CCOC(=O)C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC 5007043 NUDGZTAUWGZSCB-UHFFFAOYSA-N 370.427 1.827 0 40 FDAB Cc1ccc(C(=O)NCCCOCc2ccccc2)cc1S(N)(=O)=O 14018236 RARRUQOJDMNVTB-UHFFFAOYSA-N 362.451 1.979 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 14102436 CCUNDQZQKONRBY-UHFFFAOYSA-N 352.456 1.768 0 40 FDAB N[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19370468 RJPBHBGHCZEMNF-KNQAVFIVSA-N 363.461 1.904 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2ccc3nsnc3c2)CCO1 19747743 CALREHUUHSBQJS-HNNXBMFYSA-N 360.439 1.591 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)c1 19752329 HSUSQIURTCBHLV-INIZCTEOSA-N 369.469 1.681 0 40 FDAB COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)ccc2c1 151607535 RIFRZRHODJBITM-SFHVURJKSA-N 354.454 1.986 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 253406019 UCJHGTYZYGCRIS-KBRIMQKVSA-N 357.410 1.239 0 40 FDAB O=C(c1cccc(O)n1)N1CCC(COc2ccc3nccn3n2)CC1 1888879149 WDHIXHJBUWFCGU-UHFFFAOYSA-N 353.382 1.761 0 40 FDAB Cn1cccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)c1=O 238828970 FLGOEQFOMDOPAQ-UHFFFAOYSA-N 365.393 1.253 0 40 FDAB Cn1cc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037838310 CLYFSTLHKSBUCR-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB O=C(N1CCO[C@@]2(COCCN(c3nccs3)C2)C1)C1(F)CCC1 1565548385 BQDDBBYNIDNVJM-HNNXBMFYSA-N 355.435 1.470 0 40 FDAB Cc1c(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)nc2ccccn12 1565555099 ROCCACMOFFGBCX-OWCLPIDISA-N 368.437 1.495 0 40 FDAB CCOc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 4504541 UTCRBJIOJCHHTK-ZDUSSCGKSA-N 371.455 1.800 0 40 FDAB COCCn1ncc2c1COC[C@H]2CNC(=O)Cc1noc2ccccc12 2055754809 XIVYYOWVPQVDOM-CYBMUJFWSA-N 370.409 1.643 0 40 FDAB O=C(Cc1ccc(F)cc1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729970 KJLHFOJTOFWAII-JKSUJKDBSA-N 373.428 1.597 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055746238 DLKFNIWAUYKTRO-GVDBMIGSSA-N 358.442 1.393 0 40 FDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1cccc2nsnc12 1775974373 ZVJFLNWWCLLOML-UHFFFAOYSA-N 368.484 1.225 0 40 FDAB COc1ccc(CNC(=O)Cn2nc3c(c2NC(C)=O)CSC3)cc1 23139524 FUGCVHNCVDGQMZ-UHFFFAOYSA-N 360.439 1.913 0 40 FDAB COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1S(=O)(=O)N1CCCCC1 20096263 ROIPKWKLOZVDJW-UHFFFAOYSA-N 365.411 1.958 0 40 FDAB O=C(NCc1ccccc1F)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29809551 KFNQIFWUULEGRL-UHFFFAOYSA-N 354.341 1.489 0 40 FDAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Oc1ccccc1)O[C@@H]1OC(C)(C)O[C@H]21 2665374 AYUOOUUEVWCLKN-WZYWGQKZSA-N 350.367 1.989 0 40 FDAB biogenic O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)NCc1ccco1 932477 LSOBRQKHKZFVAI-UHFFFAOYSA-N 373.394 1.435 0 40 FDAB O=c1[nH]ncc(NCCNC[C@H](O)COc2ccccc2Cl)c1Cl 1999465 UUWABVCZFXKHSU-JTQLQIEISA-N 373.240 1.518 0 40 FDAB in-man Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 3223769 VOHXCZGDEVBRNA-UHFFFAOYSA-N 368.440 1.120 0 40 FDAB NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C[C@H]1CCCO1 102334208 UTTGRDRBTDEFRF-KDUNNAQNSA-N 357.439 1.645 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 41164712 ZZEDZRHVDLRHEN-CQSZACIVSA-N 350.484 1.967 0 40 FDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102450517 QWFZXPNJBAPTLJ-VBNZEHGJSA-N 370.405 1.429 0 40 FDAB O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccc(Cl)cc1 4510551 IWDMSWPBGSXUCP-UHFFFAOYSA-N 350.758 1.522 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4544755 MLBZDPXVBJLMEN-WVMBZCLNSA-N 371.389 1.452 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1cccnc1 6044300 GQGDXTOFMWJNAT-UHFFFAOYSA-N 363.439 1.336 0 40 FDAB CN(C)CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 10111563 AGBWTBLFBZOINL-UHFFFAOYSA-N 368.286 1.437 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccc(F)cc2)NC(=O)N[C@@H]1C 8428103 PIAKGSSWVGTKSE-LLVKDONJSA-N 364.373 1.820 0 40 FDAB CNC(=O)c1nn(CN(C)Cc2cccc(OC)c2)c(=O)c2ccccc12 21963381 VBDJKZOZRFALPA-UHFFFAOYSA-N 366.421 1.854 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 9256379 TWVPCSJTAKOVOQ-GFCCVEGCSA-N 365.367 1.427 0 40 FDAB COCc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 42234744 RPMIFSGIZAWDLW-UHFFFAOYSA-N 362.407 1.910 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cc(Cl)ccc1F 22912135 FKHXGDBVCHKARX-UHFFFAOYSA-N 368.840 1.314 0 40 FDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1cc(F)ccc1F 23199455 FKSBNYXZAFZKSC-JTQLQIEISA-N 350.325 1.761 0 40 FDAB O=C(CN(Cc1ccc(F)cc1F)C1CC1)N[C@H]1CCS(=O)(=O)C1 59388116 UIJOYQZDRXLYIK-ZDUSSCGKSA-N 358.410 1.233 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)no1 104673134 HYQRRAWVOOGHAY-MROQNXINSA-N 374.397 1.537 0 40 FDAB CS(=O)(=O)c1nc2ccccc2n1Cn1nnc2ccccc2c1=O 12538692 TVDBCAPDLIAZFP-UHFFFAOYSA-N 355.379 1.051 0 40 FDAB O=C(O)[C@H]1[C@@H](C(=O)O)[C@@]23CCCC2=C2CC[C@@]3(C(=O)O)[C@@]3(C(=O)O)C[C@]213 100136161 WDFFTASVTGENSX-GHNYSJCYSA-N 362.334 1.208 0 40 FDAB in-vitro O=C(c1cccs1)N1CCN(Cn2nnc3ccccc3c2=O)CC1 24601044 KOTHTEBAMRHZIE-UHFFFAOYSA-N 355.423 1.269 0 40 FDAB CCC[C@H](C)NC(=O)COC(=O)CN1C(=O)CSc2ccccc21 25639815 BBGOBENLEKXBHO-LBPRGKRZSA-N 350.440 1.973 0 40 FDAB O=C(Cc1ccc2c(c1)CCCC2)N1CCN(CC(=O)N2CCCC2)CC1 12688826 OPYYYULFYGPFKH-UHFFFAOYSA-N 369.509 1.875 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 55233031 GSZRJBSDWYVEQV-MRXNPFEDSA-N 362.474 1.067 0 40 FDAB Cc1n[nH]c(O)c1[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)n[nH]c1C 59109163 QJHIRNPPHUSGOT-UHFFFAOYSA-N 368.397 1.531 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)Cc1ccccc1 48272251 IGQOUINMDYIBBQ-CYBMUJFWSA-N 364.423 1.129 0 40 FDAB CNC(=O)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)c(C)c1 48367938 AUGOFFHQRUYKEY-UHFFFAOYSA-N 354.414 1.499 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C(F)F)c2C)CC1 36611157 REUASHKYOPAGAP-UHFFFAOYSA-N 365.402 1.859 0 40 FDAB Cn1c(=O)n(C[C@H](O)c2ccccc2)c(=O)c2ccc(C(F)(F)F)nc21 28920694 FMORBNNJGIAYHG-LBPRGKRZSA-N 365.311 1.848 0 40 FDAB COC[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408703400 FRMBJJFDVMFGJU-LBPRGKRZSA-N 372.443 1.113 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2 3505542 JEZPPBHAFNMHPZ-UHFFFAOYSA-N 359.382 1.286 0 40 FDAB O=C(NCc1nnc2n1CCC2)c1ccc(I)cc1 12995164 FOXLHKOYLWQSCJ-UHFFFAOYSA-N 368.178 1.759 0 40 FDAB Cc1nc2c3ccccc3nc(SCC(=O)NCCCC(=O)O)n2n1 12984467 DLZUCPJBHAKHCE-UHFFFAOYSA-N 359.411 1.659 0 40 FDAB C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)C(=O)N1CCCC1 69381550 FNETUYXRANODIY-CQSZACIVSA-N 369.425 1.424 0 40 FDAB CCOC(=O)N1CCC(NC[C@H](O)COc2ccc(C(C)=O)cc2)CC1 8328123 OPPSHEWDGFEYJA-KRWDZBQOSA-N 364.442 1.839 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](NCCC2CCN(Cc3ccccc3)CC2)C1 13725273 JFETWLBYAQPVFG-QZTJIDSGSA-N 352.500 1.036 0 40 FDAB Cc1cc(C)c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 4335357 CMUUSIZDIFFYNM-UHFFFAOYSA-N 353.488 1.311 0 40 FDAB O=C(N[C@H]1CCCc2ccccc21)C1=CC=CN2CCS(=O)(=O)N=C12 5279029 ONULFXNNIAPUIJ-INIZCTEOSA-N 357.435 1.678 0 40 FDAB CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 14123578 WFURORVYBVWQFX-UHFFFAOYSA-N 371.478 1.437 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCC2(N(C)C)CCCCCC2)c1 24582892 LARVMHMUIYFKIX-UHFFFAOYSA-N 367.515 1.979 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc3ccccc23)C1=O 6542196 XVOZBHUCCPNSHD-UHFFFAOYSA-N 369.377 1.652 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2nn(CC)c(=O)c3ccccc23)CC1 14908579 WUZSHUXENRIQBP-UHFFFAOYSA-N 358.398 1.331 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542548 RDSZIPJHULAMEF-QGZVFWFLSA-N 364.467 1.187 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)N[C@H]1CC 7814391 ANGOBRZQWOONRJ-YUMQZZPRSA-N 365.213 1.632 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1Cl 7883151 MWDVPWTXDKFHID-LBPRGKRZSA-N 353.831 1.999 0 40 FDAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cn(-c2ccccc2)nn1 84576700 DWKGBNDPEWOFIN-AWEZNQCLSA-N 362.393 1.307 0 40 FDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)NC1CCC(O)CC1 79101193 UONLYSPFAIEJQK-AOCRQIFASA-N 359.470 1.680 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)cc(C)c1C 73944941 GLKYNKFMZHECIN-UHFFFAOYSA-N 365.499 1.568 0 40 FDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 95955407 QZTXKRVPUUCAQY-MRXNPFEDSA-N 366.439 1.312 0 40 FDAB CS(=O)(=O)N1CCC[C@H](CN2CCN(c3cc(F)ccc3F)CC2)C1 85868302 FAYMZHLDZWDFPW-CQSZACIVSA-N 373.469 1.758 0 40 FDAB CCN(C(=O)NCc1nncn1CC)[C@H]1CCN(c2ccccc2)C1=O 75104818 YDKCNIZHQNBIAY-HNNXBMFYSA-N 356.430 1.635 0 40 FDAB CCN1CCN(c2cc(CNC(=O)c3cc(OC)ccc3O)ccn2)CC1 89977343 BDKJHLZPKBJXFL-UHFFFAOYSA-N 370.453 1.868 0 40 FDAB Cc1nonc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412821 MHUKQJPRJAZPOK-AHEZYBDSSA-N 354.410 1.806 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182872 DBJCOCLDOBAUHU-UHFFFAOYSA-N 356.385 1.084 0 40 FDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)N1CCOCC1 152451967 GQLQJBWNELOLOI-QGZVFWFLSA-N 359.470 1.883 0 40 FDAB O=S(=O)(C1CC1)N1CCCN(c2ccc(Br)cn2)CC1 374568986 FQBQFYZVYYJRQD-UHFFFAOYSA-N 360.277 1.848 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)NC[C@H]4CCCO4)nnc23)n1 225749114 FMCRBIVNPCDVOO-LLVKDONJSA-N 357.374 1.066 0 40 FDAB C[C@@]1(C(=O)N2CCOCC2)CC(c2cnc(N3CCCCC3)nc2)=NO1 226084815 SDKYTTOYNZPSEM-SFHVURJKSA-N 359.430 1.209 0 40 FDAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149447 DDQLVLCESROZFA-ZWKOTPCHSA-N 371.510 1.725 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)NCC1CCOCC1 96215674 BTLCAEIQBOWKTC-QXAKKESOSA-N 359.470 1.604 0 40 FDAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 96075699 AZQPPPUMQUVTBQ-QAPCUYQASA-N 350.463 1.010 0 40 FDAB CCOc1cc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC)ccc1O 239284759 BZSJGXXUXHBPLL-DDUZABMNSA-N 362.382 1.448 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)c1 96215052 IOCLQYMQYQHCNS-MRXNPFEDSA-N 372.512 1.574 0 40 FDAB O=C(c1ccnnc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96061699 ZRYGELUGLSYKLM-MOPGFXCFSA-N 352.438 1.635 0 40 FDAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(C)C[C@@H]3CN)c12 97019719 ZPCQOWZMSLFSGV-LBPRGKRZSA-N 355.398 1.506 0 40 FDAB Cc1cc(C(=O)N2CCO[C@@H](COCC3CC3)C2)n(C2CCOCC2)n1 529070326 PQHQNEYGVLMAMK-QGZVFWFLSA-N 363.458 1.811 0 40 FDAB Cc1ccc(CC(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)cc1 247902959 ZXZMGNMNSULERB-DOTOQJQBSA-N 368.499 1.340 0 40 FDAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 583619018 VBYNZQMVDVJMOG-SFHVURJKSA-N 358.446 1.585 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257322944 WIDXBINPJMXOEC-MRXNPFEDSA-N 357.458 1.417 0 40 FDAB CCc1c(CC)c(P(=O)(O)O)c(CC)c(CC)c1P(=O)(O)O 604940271 HAPWTLMXWAZEIS-UHFFFAOYSA-N 350.288 1.542 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCc3cccs3)cn2CCN1S(C)(=O)=O 253590809 FXCWVAUYKPJMNJ-LLVKDONJSA-N 368.484 1.140 0 40 FDAB Nc1nccnc1[C@@H]1CN(C(=O)c2cc(-c3cccnc3)[nH]n2)CCO1 257297320 RGTFXEABZATZSV-AWEZNQCLSA-N 351.370 1.058 0 40 FDAB Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O 604381004 ARVDVGHWEHIHAV-PNDFQMOFSA-N 360.454 1.039 0 40 FDAB biogenic,in-vitro O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)Nc1nccs1 85436941 CRXZKGNNRCALJV-GFCCVEGCSA-N 352.485 1.494 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(c2nccn3nc(C4CCC4)cc23)CC1 631036563 RMRRQIBHNXHHGD-QGZVFWFLSA-N 355.442 1.824 0 40 FDAB Cc1nn(C)cc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644425662 JBVQOUCMZOMZSC-FQEVSTJZSA-N 356.470 1.762 0 40 FDAB Cc1ccc(CS(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1F 647928422 LLJYALMZZYPDRQ-OAHLLOKOSA-N 352.387 1.644 0 40 FDAB Cc1ccn2ncc(C(=O)NC[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)c2n1 648429621 LYXCWBKJVVYSOQ-RHSMWYFYSA-N 364.409 1.382 0 40 FDAB O=C(O)c1sc2ccccc2c1CNC(=O)[C@@H]1CCCS1(=O)=O 656235697 QHDCWARYDBAOMJ-LBPRGKRZSA-N 353.421 1.793 0 40 FDAB CC(C)c1nnc(COC2CN(C(=O)[C@](C)(O)Cc3ccccc3)C2)o1 606445826 RSRQCSDSNPUAEO-LJQANCHMSA-N 359.426 1.914 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2cccs2)CC1 49030485 ZKXSOXCFSLGQAZ-UHFFFAOYSA-N 362.455 1.659 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500804 DNSNXLOPBIXZMA-XLPNERPQSA-N 360.410 1.282 0 40 FDAB COc1ccc2[nH]c(C(=O)NC[C@@H](C)N3CCOCC3)c(NC(C)=O)c2c1 19719866 ULQRFKHCXGGRKC-GFCCVEGCSA-N 374.441 1.585 0 40 FDAB Cc1cc2nc([C@@H](NS(=O)(=O)N3CCCCC3)C(C)C)cc(O)n2n1 19129588 DIPGUZLXQWBQJH-INIZCTEOSA-N 367.475 1.761 0 40 FDAB Cc1nccc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 1888852991 IXKMKGDDRGKUKS-UHFFFAOYSA-N 357.439 1.446 0 40 FDAB COc1ncccc1C(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@H]2C1 1888869532 ODKZEVNSBMRTGO-VXGBXAGGSA-N 373.388 1.242 0 40 FDAB Clc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 1888897525 NTTCUTKJFCLGQV-UHFFFAOYSA-N 356.821 1.931 0 40 FDAB O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1 2087043830 VJEMYXXBLXMKOJ-INIZCTEOSA-N 352.862 1.919 0 40 FDAB NC(=O)CSc1nnc(NC(=O)c2ccc(Br)o2)s1 7387168 SFDCULCLWHTLDO-UHFFFAOYSA-N 363.218 1.723 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2cccnc2)o1 10250702 QHEVGXAESKYCKQ-UHFFFAOYSA-N 358.379 1.934 0 40 FDAB Cn1cccc1[C@H](CNC(=O)C(=O)NCCc1ccccc1)N1CCCC1 11898288 XGIQKPNAJXCMTL-IBGZPJMESA-N 368.481 1.637 0 40 FDAB Cc1cccc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)c1 12422877 RZXANELOMWUKRV-CYBMUJFWSA-N 358.423 1.850 0 40 FDAB O=C(COc1cccc(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1 13700327 IWJPAHWGACOWGT-UHFFFAOYSA-N 372.816 1.505 0 40 FDAB CN(C)CC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055739369 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VVGCXVKUEXVRCL-UHFFFAOYSA-N 363.464 1.955 0 40 FDAB O=C(Nc1ccc(-n2cccn2)nc1)C1=NN(c2ccccc2)C(=O)CN1 32966058 FRFGISAVFQXXLA-UHFFFAOYSA-N 361.365 1.156 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)NCc1noc(-c2ccccc2)n1 12322426 XNXYBDUVJVIAPI-UHFFFAOYSA-N 362.349 1.158 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NC(=O)CCc2c(C)noc2C)cc1 42272465 AYWAHMDAEWEGJK-UHFFFAOYSA-N 350.396 1.932 0 40 FDAB Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cn1 23041521 SUCCCXVOCPCAAX-UHFFFAOYSA-N 359.451 1.973 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 102015125 SOJOYKFGZBAKJA-XUXIUFHCSA-N 358.785 1.647 0 40 FDAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(NC(=O)C2CC2)C3)cc1 100426016 BVZDFQCZDXLEFX-GJZGRUSLSA-N 364.467 1.906 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(C)on1 12553031 PPFBBZPUSWTRHJ-UHFFFAOYSA-N 368.415 1.293 0 40 FDAB CSCC[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)O 100117223 OQKPFTGTVANENL-RWMBFGLXSA-N 365.455 1.183 0 40 FDAB Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1NS(C)(=O)=O 25004150 YWRDKSKRQHGDNE-LLVKDONJSA-N 350.444 1.899 0 40 FDAB Cn1nnnc1SCC(=O)Nc1nc2c(F)c(F)c(F)cc2s1 3242038 KDNYWEGTSMLHOG-UHFFFAOYSA-N 360.346 1.968 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCCSc1ccccc1 26054803 ROMHJBHQPWXGNG-INIZCTEOSA-N 365.480 1.322 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1 1683812 JOCZIEBABSKQNG-UHFFFAOYSA-N 351.409 1.841 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2CC)C(=O)N1 10385106 RURXPOBRUHSWRQ-UONOGXRCSA-N 350.440 1.741 0 40 FDAB C[C@H](CC(=O)N1CCCC[C@@H]1CN1CCOCC1)NC(=O)C1CCCC1 72277566 YGWIWDJTMPUJHM-SJLPKXTDSA-N 365.518 1.785 0 40 FDAB CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2O)CC1 58344538 LYAHDZSSGSXVKQ-UHFFFAOYSA-N 370.247 1.049 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1 36365703 VDBYJLCHMBSMFX-UHFFFAOYSA-N 371.440 1.866 0 40 FDAB O=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)CCCC2=O 2418306 LIGPTMMJBOAMPZ-UHFFFAOYSA-N 366.468 1.284 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nncn2C)C1 48278053 HCLXNLMPEKLXHY-DZGCQCFKSA-N 359.430 1.569 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)Cn3nc(-c4ccco4)oc3=O)ccc21 12779278 JAKPXQZOSNZTHS-UHFFFAOYSA-N 368.349 1.644 0 40 FDAB CCN(CC)c1ccc(CNC(=O)CCN2C(=O)NC(C)(C)C2=O)cn1 48333489 YNXJGRCIJFDZSE-UHFFFAOYSA-N 361.446 1.265 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O 12890565 DUEJWJJXXGGYPC-KBXCAEBGSA-N 361.398 1.610 0 40 FDAB COc1ccc(C(=O)O)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1 13084120 LBUAFUYEZWITJA-UHFFFAOYSA-N 359.334 1.817 0 40 FDAB CCOCCCNC(=O)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 8477617 CNQUYYRGVXGTCH-UHFFFAOYSA-N 364.431 1.211 0 40 FDAB CCN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 6097778 ROIUXIFZUADXRX-LBPRGKRZSA-N 372.516 1.132 0 40 FDAB CC(C)OCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5006361 PVMOENINPVYGGH-UHFFFAOYSA-N 372.443 1.113 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1N1CCOCC1 8745166 UMGREMCEDWZXOF-UHFFFAOYSA-N 364.405 1.872 0 40 FDAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1ccc(C(N)=O)cc1 5278802 GJTZETCIFZRKFE-LBPRGKRZSA-N 371.393 1.374 0 40 FDAB CCOC(=O)c1sc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)nc1C 14240557 AGTFTGRQDKWMQU-UHFFFAOYSA-N 364.427 1.900 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccccc2OC)NC(=O)NC1 18333775 ZMYZLPKXPXJTOK-UHFFFAOYSA-N 362.382 1.301 0 40 FDAB CC(C)[C@H](CNS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 19079487 WXGSJUKLTLYSAI-ZDUSSCGKSA-N 370.500 1.326 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)CCc1c(C)noc1C)c1ccccc1 7147864 JVIOKZLVUGUSPO-MRXNPFEDSA-N 359.382 1.964 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 15713928 MRNAXYNAYNRDOL-LSDHHAIUSA-N 367.467 1.884 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1Cl 7605798 MSFQXKABRKUYSM-UHFFFAOYSA-N 351.771 1.518 0 40 FDAB CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)CCNC(C)=O 7787300 ZOUXDILOFLQRIW-UHFFFAOYSA-N 370.247 1.762 0 40 FDAB COCCCN1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 81085279 ZXINCEOIADNHBJ-INIZCTEOSA-N 351.495 1.835 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 8021230 HFGPVKVROXZXTE-CQSZACIVSA-N 353.444 1.481 0 40 FDAB CCOc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8012136 TYQLPQJZCVONJD-NSHDSACASA-N 356.382 1.276 0 40 FDAB COc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1Cl 28228246 XCMDVYKASJRWTP-AAEUAGOBSA-N 356.806 1.899 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CSc2nc3ncccn3n2)c1 9497623 PVLFORGFTLMVOJ-UHFFFAOYSA-N 356.411 1.605 0 40 FDAB COc1cc(CNC(=O)COc2cccc(N3CCCC3=O)c2)ccn1 96402285 BCJATVUQAYAJHW-UHFFFAOYSA-N 355.394 1.912 0 40 FDAB COc1cccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)c1 96840104 GYKJNAZMAPMQHX-CXUHLZMHSA-N 352.346 1.904 0 40 FDAB CC(C)(C)[C@H](NS(=O)(=O)c1ccccc1)c1nc(-c2nc[nH]n2)no1 95432608 NDNNSZAQMAFTGG-LLVKDONJSA-N 362.415 1.920 0 40 FDAB COCCOc1ccc(S(=O)(=O)NCCn2cnnc2C2CC2)cc1 75109976 LJEOKIQEKUGXPS-UHFFFAOYSA-N 366.443 1.159 0 40 FDAB O=C([C@@H]1CCCN1C(=O)c1ccccc1O)N1CCCC2(C1)OCCO2 89809690 WYUWLQCXJFKERB-HNNXBMFYSA-N 360.410 1.362 0 40 FDAB Cc1cc(N2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)n2ncnc2n1 306144830 ZPRWAPUTTIDJQX-ZDUSSCGKSA-N 368.445 1.278 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3nccs3)CC2=O)cc1 20733863 KLRBDOCIQOFGRQ-NSHDSACASA-N 374.422 1.260 0 40 FDAB CC(C)CN1C[C@@H](c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)CC1=O 545043506 MZQXAIFTTQQJSS-ZDUSSCGKSA-N 357.414 1.805 0 40 FDAB CCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CCOC)C2=O)C1 306129207 HXMFDLDLZWBPHM-BEFAXECRSA-N 362.474 1.665 0 40 FDAB CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 506241746 WPLDJHKBLNMADG-UHFFFAOYSA-N 371.478 1.950 0 40 FDAB COc1ccc(CN(C)C(=O)CCn2nnc3ccccc3c2=O)cc1 32196530 XCBPWRMNTCGLEE-UHFFFAOYSA-N 352.394 1.849 0 40 FDAB CNC(=O)[C@]1(CCCc2cccc(Br)n2)CCN1C(C)=O 72350891 OLZHJYNKSDVQOV-HNNXBMFYSA-N 354.248 1.904 0 40 FDAB COc1cccc(-c2noc(CNS(=O)(=O)c3c(C)noc3C)n2)c1 41153727 MIMAOSDLWUSHEZ-UHFFFAOYSA-N 364.383 1.829 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCOC1CCCC1)Cc1ccccc1 225633418 CNEBQJZWULRFIL-UHFFFAOYSA-N 368.499 1.914 0 40 FDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CC(=O)NCc3ccccn3)C2)s1 96217716 BAAPLEGQXSGXFI-DYVFJYSZSA-N 359.455 1.401 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 96230553 IIQXRYZFUHJDJW-IBGZPJMESA-N 357.433 1.482 0 40 FDAB O=S(=O)(Cc1ccccc1)NC[C@H]1COCc2nc3cccnc3n21 96112560 MJBRHFCDMKGBON-AWEZNQCLSA-N 358.423 1.622 0 40 FDAB biogenic,in-vitro Cc1cn([C@@H]2CCN(C(=O)OCc3ccccc3)C[C@@]2(C)O)c(O)nc1=O 257220814 DMGOEDJXOSTLBE-DNVCBOLYSA-N 373.409 1.592 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)C2(Cc3ccccc3F)CCOCC2)CCO1 257299579 RQQJUTCOHZWRSK-GOSISDBHSA-N 364.417 1.268 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)[C@@H](C(=O)N(C)C)C1 257277357 NXQSXUWBVLUSTG-QGZVFWFLSA-N 371.437 1.849 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCCC1(O)CCOCC1 285498737 PJRAUWOOWSDWNE-UHFFFAOYSA-N 371.455 1.718 0 40 FDAB CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@H]1CCCN1)C2 71751794 IHJWZLQBJXOKGO-MRXNPFEDSA-N 351.454 1.846 0 40 FDAB Cc1scc(CN2CCC(=O)N(Cc3nc(N(C)C)n[nH]3)C2=O)c1C 1775997095 VEIMEKFNMCISAO-UHFFFAOYSA-N 362.459 1.904 0 40 FDAB CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 614353578 PEMAJMLAWCOUHQ-MAUKXSAKSA-N 368.437 1.807 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(CCc2c(F)cccc2Cl)CCO1 648048970 YVNXEERHGPPMKY-ZDUSSCGKSA-N 372.824 1.656 0 40 FDAB Cn1nc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1O 666722642 WUTQVPNJZSSKEH-UHFFFAOYSA-N 367.409 1.134 0 40 FDAB CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 390830054 ILIDIDUVKFDUFP-CYBMUJFWSA-N 354.439 1.855 0 40 FDAB CSCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096284 FKKJZPYTAGMLBP-GFCCVEGCSA-N 359.455 1.474 0 40 FDAB C[C@@H]1c2ncc(CCOc3cccnc3)n2CCN1C(=O)C1CC(O)C1 585097711 MZSYTDNQSQHVKQ-VQCLRJIVSA-N 356.426 1.574 0 40 FDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cc(C)no3)cc2NC1=O 585281905 SWQBGZPYTUEUCH-LLVKDONJSA-N 365.367 1.211 0 40 FDAB CCc1ncc2c(n1)CN([C@@H](C)C(=O)Nc1sccc1C(N)=O)CC2 106374632 HOWJZXFRTMVYNB-JTQLQIEISA-N 359.455 1.585 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2nccnc2OC)C1 220012262 FYQWWWUPQWXQII-LBPRGKRZSA-N 357.366 1.565 0 40 FDAB CN1C[C@H](C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)CC1=O 585581698 DVECECQDEPMYMY-CQSZACIVSA-N 368.441 1.186 0 40 FDAB Cn1cncc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158415 MOQPMLOSQAMGJE-LJQANCHMSA-N 372.400 1.597 0 40 FDAB Cc1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n2ncnc2n1 1775978437 RMHXSEAXMTYRDA-UHFFFAOYSA-N 362.397 1.809 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 12116205 LZUZKOJKFVIQCP-UHFFFAOYSA-N 368.441 1.171 0 40 FDAB Cc1nonc1CC(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 12146361 SDJBVIIXIMRNIU-UHFFFAOYSA-N 366.381 1.008 0 40 FDAB COCC(=O)N1CCC(Cn2nc(-c3ccc(OC)cc3)ccc2=O)CC1 12155927 OXGOXSNKBNMJSE-UHFFFAOYSA-N 371.437 1.804 0 40 FDAB CCCc1nnsc1C(=O)N1CCC[C@]1(C)C(=O)N1CCOCC1 19746611 FEXWTFNCGNFFFM-MRXNPFEDSA-N 352.460 1.344 0 40 FDAB COCCN(C)c1cnn([C@H]2CCCN(Cc3cncs3)C2)c(=O)c1 583618128 FHFJIEZIJQNFPU-AWEZNQCLSA-N 363.487 1.620 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O 1888987901 XUIZCZXAFHWZCK-UHFFFAOYSA-N 363.414 1.972 0 40 FDAB O=C(C1CC(O)C1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 1614948082 TXHNPUCRDNGEKB-MQBCKMQZSA-N 351.472 1.359 0 40 FDAB CCOC(=O)Cn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2cccnc21 6805132 RVDRVHBNTDOTEV-UHFFFAOYSA-N 369.377 1.178 0 40 FDAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(c2ncccn2)CC1 2055773015 KGZHCSSLKMZKIA-UHFFFAOYSA-N 354.336 1.347 0 40 FDAB Cc1nccn1-c1ccc(N2CCN(c3ncnc4cnccc34)CC2)nn1 2086868987 NMFCGXUYGMGKOR-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)n1cnnn1 39994036 VEAQJDSIXOOIEY-HNNXBMFYSA-N 351.366 1.502 0 40 FDAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCCN(c2cnccn2)C1 31294864 DXOTYLGYJNMHCE-BBRMVZONSA-N 362.380 1.821 0 40 FDAB O=c1c(NCc2ccccn2)c(NC[C@@H]2COc3ccccc3O2)c1=O 101691274 XUHZQJWDZZQDGO-CYBMUJFWSA-N 351.362 1.542 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2cccn2)ccc1C 32491717 VSCJBYWZASATPP-UHFFFAOYSA-N 350.444 1.861 0 40 FDAB O=C(NCC1=CSC2=NCCN12)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 102058792 JBTMZLATWNNFAB-LLVKDONJSA-N 358.423 1.121 0 40 FDAB COc1ccc2nc(C(=O)NC3CCN(S(C)(=O)=O)CC3)ccc2c1 32771066 YDYVCYVAPRVHGL-UHFFFAOYSA-N 363.439 1.397 0 40 FDAB Cn1c(=O)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cnc2n(C)c1=O 102447337 FRQYMCZULOACHJ-WVSMJXTDSA-N 370.453 1.577 0 40 FDAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)c1 12096372 YCQKRALTBJUPLO-GFCCVEGCSA-N 367.365 1.855 0 40 FDAB NC(=O)C1CCN(CC(=O)Nc2c3c(nc4ccccc24)CCC3)CC1 4997830 KPMFMDAZBXMZDM-UHFFFAOYSA-N 352.438 1.859 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 6436159 WSMSZWZRJBZRNT-UHFFFAOYSA-N 357.288 1.843 0 40 FDAB Cc1nn(CC(=O)N2CCN(Cc3cnn(C)c3C)CC2)cc1Cl 22266926 KMEIUBCRQTXTAN-UHFFFAOYSA-N 350.854 1.231 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22618850 GYRVFMQXDRQEHN-JSGCOSHPSA-N 368.455 1.526 0 40 FDAB CC(C)(C)CC(=O)NCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 53797457 DSXZCCLETFJXCV-UHFFFAOYSA-N 366.506 1.725 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 814694 RZIYUJYFFHTPOJ-UHFFFAOYSA-N 361.379 1.891 0 40 FDAB COc1ccc(C(=O)NC(=O)CN2CCN(Cc3cccs3)CC2)cc1 23248900 HDLUSZJYYGMNIM-UHFFFAOYSA-N 373.478 1.831 0 40 FDAB Cc1cc([C@H]2CCCN2C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)on1 47287661 BNIYWQTUJHZVSB-CYBMUJFWSA-N 362.411 1.144 0 40 FDAB O=C(Oc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 23227793 YAVQJJYAVQHGNC-LBPRGKRZSA-N 367.340 1.760 0 40 FDAB Cc1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cn1 23442863 COWOPDNQOLJTDE-IBGZPJMESA-N 352.394 1.978 0 40 FDAB Cc1c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2ccccc12 8459706 HZKVQAHPCVLPPC-UHFFFAOYSA-N 368.418 1.840 0 40 FDAB Cc1nc(COc2ccc(C(=O)NCC(=O)NCc3ccco3)cc2)no1 25452780 NYDNBJIRCMDBCD-UHFFFAOYSA-N 370.365 1.596 0 40 FDAB CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 20026925 WFFRGYALKFTZMM-UHFFFAOYSA-N 369.462 1.000 0 40 FDAB C[C@H]1C(=O)[C@H](C)[C@H]2N(C(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@]32O4)[C@H]1c1ccco1 105368341 LXIQMFKOABADKQ-NCAILNEASA-N 357.362 1.411 0 40 FDAB Cc1cc(C)cc(OCCNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 57013867 OSQZSYGCYQOOLG-UHFFFAOYSA-N 351.428 1.098 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(OC)cc2)c2ccccc2O1 12514936 GCDBUGXEYVJMKK-QGZVFWFLSA-N 355.394 1.647 0 40 FDAB CS(=O)(=O)Nc1cccc(CNS(=O)(=O)N2CCCCCC2)c1 26977787 VRDJGTAEBXULHL-UHFFFAOYSA-N 361.489 1.269 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccc(OC)cc2)C1 65729225 KCLAWUVZGMYEED-INIZCTEOSA-N 368.499 1.806 0 40 FDAB COc1ccc2c(=O)c(C(=O)NCc3cccnc3N(C)C)c[nH]c2c1 58010175 SFRZENDACVHXKX-UHFFFAOYSA-N 352.394 1.928 0 40 FDAB COc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243804 NVLMBTYMZTYHOI-PKOBYXMFSA-N 358.442 1.594 0 40 FDAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)c1 10029800 JQGKXFUBIOZEMZ-FQEVSTJZSA-N 367.405 1.779 0 40 FDAB CCOC(=O)[C@@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1CC 58192754 ALSSGDMHFLXYCW-SECBINFHSA-N 357.457 1.747 0 40 FDAB Cc1nc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)sc1C 36358742 LDFIKSGPNCHFCH-UHFFFAOYSA-N 371.422 1.225 0 40 FDAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cn1 48287415 GMQBWQFQCZQGGN-UHFFFAOYSA-N 352.438 1.943 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 48341732 MFHWPCGMFCJERI-CABCVRRESA-N 359.426 1.777 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2cnccn2)N2CCOCC2)cc1OC 12816785 KCCLSOVAIYYMPP-MRXNPFEDSA-N 372.425 1.297 0 40 FDAB CN1C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C(=O)C12CCCCC2 6006422 BHTJRUUMBYUAAF-UHFFFAOYSA-N 358.398 1.321 0 40 FDAB CC(C)C(NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)C(C)C 5001075 UDIGZDONKCTMCP-UHFFFAOYSA-N 370.471 1.978 0 40 FDAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 19799425 GCTWDCWOQMXUTP-NEPJUHHUSA-N 356.831 1.596 0 40 FDAB biogenic O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 14227761 QIXTTZYDNDIGDL-UHFFFAOYSA-N 369.425 1.271 0 40 FDAB Cn1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1=O 67936313 BQSLVQYEEROIJX-NSHDSACASA-N 371.220 1.862 0 40 FDAB Cc1cc(CC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)no1 96005342 AXFJMXXQJQHMHG-HNNXBMFYSA-N 355.460 1.379 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(F)c2)C1=O 9690566 CNSDEGYVAVBFNH-GOSISDBHSA-N 357.341 1.703 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCc1nc2ccccc2[nH]c1=O 72325790 VGINOMBSISPMGZ-AWEZNQCLSA-N 363.439 1.267 0 40 FDAB biogenic CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCCn1ccnc1 84752854 DKGCIZSOKCWSHS-LJQANCHMSA-N 367.453 1.960 0 40 FDAB O=C(O)CC1(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CCOCC1 95424853 JRNXHUKVTIIYKT-INIZCTEOSA-N 363.410 1.998 0 40 FDAB NCCOCCOCCNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 98188886 GRXZFFJIEQEHMA-UHFFFAOYSA-N 360.336 1.589 0 40 FDAB Cc1ccoc1C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998292 KOTQMZHUQDRWBI-INIZCTEOSA-N 371.441 1.275 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]23CCCN(C(=O)c2cscn2)C3)c1 63526904 JFUXBLAZWZULGT-QGZVFWFLSA-N 359.455 1.788 0 40 FDAB Cc1cccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1 32854847 IKMWSBLOAPIKNU-IIAWOOMASA-N 365.455 1.341 0 40 FDAB Cc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)o1 72334452 NISJSNPHVMZZQW-GHTZIAJQSA-N 367.449 1.833 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306129251 HYNPGKQXEIFZMA-MCIONIFRSA-N 350.440 1.132 0 40 FDAB CC(=O)N1CCN(C(=O)Cc2csc(C)n2)C[C@@H](Cc2ccccn2)C1 72353575 KKRTWQRQNRVLAT-INIZCTEOSA-N 372.494 1.939 0 40 FDAB Cc1nn(C)c2c(=O)n(C)c(N3CCN(c4ccc(F)cc4)CC3)nc12 32651444 NVDCFKYGXCBFBM-UHFFFAOYSA-N 356.405 1.441 0 40 FDAB CCn1ccnc1CN1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 72380583 DNBPZTJQFMOZBG-KRWDZBQOSA-N 372.473 1.826 0 40 FDAB Cc1ccccc1CN1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 44913698 HRNSZOGXOYJVBA-UHFFFAOYSA-N 372.557 1.961 0 40 FDAB COc1ccc(C(=O)CNC(=O)CCCn2c(C)cc(O)cc2=O)cc1 85875561 QHNZVGUCPCDLHS-UHFFFAOYSA-N 358.394 1.650 0 40 FDAB biogenic COc1ccc([C@H](CC(=O)NCc2cccnc2)NS(C)(=O)=O)cc1 225955076 KOLDMRIFQFTERZ-INIZCTEOSA-N 363.439 1.387 0 40 FDAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCc1csc(C)n1 227151060 YNVMORMAIOWWQC-UHFFFAOYSA-N 369.468 1.640 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224212218 UCWYTQZRRMIMCZ-UHFFFAOYSA-N 362.455 1.954 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCCCCC2)s1 224800644 KSDCNRMDWCRIIT-UHFFFAOYSA-N 361.493 1.041 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 514290287 WHIPEWYWAGOUAV-LEWJYISDSA-N 364.493 1.587 0 40 FDAB biogenic,in-vitro CO[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96209026 IBFCHJAETGLYDK-JQHSSLGASA-N 355.442 1.177 0 40 FDAB Cc1occc1C(=O)N1CCn2c(CNC(=O)c3cccn3C)cnc2C1 96061955 SMVVTUKWRBXSCJ-UHFFFAOYSA-N 367.409 1.709 0 40 FDAB O=C(c1cccnc1)N1CCC2(CCN(C(=O)c3cnccn3)CC2)C1 96046578 XKURJGHZKUDHKH-UHFFFAOYSA-N 351.410 1.640 0 40 FDAB COc1ccc(CN2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cc1 97952721 NLNGVFKYPPOMEN-LJQANCHMSA-N 360.458 1.001 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cn1 96060764 PTNRLGYDVAXQSF-HNNXBMFYSA-N 353.430 1.260 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)cn1 96060746 RVHYYJVLDKJWIA-INIZCTEOSA-N 353.430 1.260 0 40 FDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5nnc(C6CCOCC6)s5)[C@@H]4[C@@H]3[C@@H]12 578810024 PWJSISQKADRARM-GQLDQDALSA-N 357.435 1.698 0 40 FDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 333132353 WZFGCTPZYIZCCG-OKZBNKHCSA-N 370.449 1.937 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96049409 NMTUSSOROKLGFF-UHFFFAOYSA-N 357.454 1.992 0 40 FDAB c1cc2c(cc1-c1cnc3n1C[C@H](CNC1CCOCC1)OC3)OCCO2 96296436 QTQIIJWWQVPGRR-INIZCTEOSA-N 371.437 1.989 0 40 FDAB biogenic,in-vitro Cc1cc(CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)ncn1 257314021 UVBDFCCXNVVJHR-OAHLLOKOSA-N 352.398 1.530 0 40 FDAB NC(=O)[C@H]1CN(c2nc(NCc3ccccc3)c3ccccc3n2)CCO1 663481544 KSFDPPQUJWRTCP-QGZVFWFLSA-N 363.421 1.932 0 40 FDAB COc1cc(N2CCN(C(=O)N[C@H](C)CS(C)(=O)=O)CC2)ccc1F 283157621 CJCDAWJJMLCMIR-GFCCVEGCSA-N 373.450 1.099 0 40 FDAB Cn1c(O)nc(N2CC[C@@H](Oc3ccncc3Br)C2)cc1=O 1776008498 IJKNKZZYJQNSQR-SECBINFHSA-N 367.203 1.301 0 40 FDAB COc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)nn3)CC2)c1 96097876 POHACFRUEWMNRD-UHFFFAOYSA-N 365.397 1.028 0 40 FDAB CN1c2ccccc2N(C2CCN(C(=O)c3cccnc3)CC2)S1(=O)=O 390831787 UYHBDSOIRVPXIV-UHFFFAOYSA-N 372.450 1.887 0 40 FDAB O=S(=O)(NC[C@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 585112124 MEXVBCOFGYIVQC-AWEZNQCLSA-N 352.485 1.583 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)Cc3cccnc3)C2)c1 585268961 FSULVKZITZXOQU-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB Cc1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)n(C)n1 58210884 WWSFQLYWFNWHHU-UHFFFAOYSA-N 356.835 1.090 0 40 FDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 96025326 HVDXXTGAGLZHCJ-ZETCQYMHSA-N 374.303 1.318 0 40 FDAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 96103407 LQBXIMHFZNLGCJ-AWEZNQCLSA-N 362.455 1.695 0 40 FDAB CN1CCO[C@H]2CCN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@@H]21 516850182 RHJKCNQXKIIQHO-HOTGVXAUSA-N 371.840 1.972 0 40 FDAB COC(=O)C[C@]1(C(=O)OC)Nc2ccc(Br)cc2C(=O)O1 5423156 YXWYNGFSKCVTKA-ZDUSSCGKSA-N 358.144 1.464 0 40 FDAB O=C(NCCc1ccccc1)[C@H]1C(=O)C(=O)N(CCc2ccccc2)C1=O 5810594 UIEXAKTXJJHLDN-QGZVFWFLSA-N 364.401 1.142 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)OCO2 5870990 JTEZGKGIHQPTAW-UHFFFAOYSA-N 366.329 1.589 0 40 FDAB CCN1CCC[C@H]1CNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O 12115269 HUUPCVNMYQNEGX-ZDUSSCGKSA-N 373.482 1.620 0 40 FDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cscn3)CC1)O2 12227075 DFBQHYCLEUTATK-UHFFFAOYSA-N 373.434 1.949 0 40 FDAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 12597448 TYEMNDMVUHQWCT-NSHDSACASA-N 361.423 1.976 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C[C@@H]2CCOC2)CC1 19523229 RLXUGOXHKIZMGN-INIZCTEOSA-N 371.481 1.822 0 40 FDAB Cc1nc(N2CCC(C)CC2)ncc1C(=O)N[C@@H](C)CN1CCOCC1 19714731 FOKVFTQKHMUKLY-HNNXBMFYSA-N 361.490 1.472 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545067 QCSOVVCRXKIBLK-CQSZACIVSA-N 374.416 1.517 0 40 FDAB C[C@@H](SC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1)C(N)=O 6589024 VZLDQDSZUGSXCK-MHMQGTJDSA-N 363.446 1.257 0 40 FDAB Cn1c(N2C[C@@H]3CN(S(=O)(=O)c4cnc[nH]4)C[C@H]3C2)nc2ccccc21 1888908435 REKPPXOGTCTJJJ-CHWSQXEVSA-N 372.454 1.053 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3nc(C)nc4cnccc34)CC2)[nH]1 1889184585 HXGVHLMRZXECFL-UHFFFAOYSA-N 364.457 1.612 0 40 FDAB Cc1ccc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)o1 21195948 NSYVAYVIHNCOHC-UHFFFAOYSA-N 365.407 1.966 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)C3CC3)CC2)cc1 2086992585 MYKXVCMBIPQNDL-UHFFFAOYSA-N 358.485 1.141 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565548168 YWNBLEREXHJKJS-UHFFFAOYSA-N 366.531 1.677 0 40 FDAB O=C(Cc1ccc(F)cn1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565542724 KTDQIGUZYNFBKX-GJYPPUQNSA-N 357.385 1.996 0 40 FDAB CC(=O)Oc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)cc1 1565556243 ZRQRHGXBTMEDBI-FGTMMUONSA-N 372.421 1.464 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2c(F)cccc2Cl)n(C)c1=O 780560 PUUVNXTXOFVVDV-UHFFFAOYSA-N 357.172 1.928 0 40 FDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 2952114 ARUCFSZEORGABT-UHFFFAOYSA-N 367.361 1.125 0 40 FDAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 5241898 XPRBPXNPYXQPAF-UHFFFAOYSA-N 368.422 1.987 0 40 FDAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2ccc4c(c2)OCO4)CC3)C1 2055734501 DAESIUYKBQXAKB-LSDHHAIUSA-N 371.437 1.617 0 40 FDAB CC(C)c1noc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884354 GCJBTDPKOKMLBJ-LBPRGKRZSA-N 358.389 1.652 0 40 FDAB COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 5999118 KMYQEVOSRSCASE-MOPGFXCFSA-N 364.394 1.505 0 40 FDAB endogenous,in-man O=C(CCS(=O)(=O)C1CCCC1)NCCNC(=O)c1cccs1 40145533 OGNOJURNZVDSPW-UHFFFAOYSA-N 358.485 1.342 0 40 FDAB CC(C)c1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40286547 JTPXYRMHSBLQGI-QGZVFWFLSA-N 371.422 1.867 0 40 FDAB COC(=O)CC[C@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)OC 32069621 KFLVRJSTKKVMSK-GJZGRUSLSA-N 364.398 1.264 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1OC 20761784 MVTHFVLESFYICM-INIZCTEOSA-N 374.397 1.257 0 40 FDAB biogenic CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 59893826 QXQPQALVKVXLCJ-NSHDSACASA-N 363.443 1.825 0 40 FDAB COc1cc(C(=O)NCc2ccc(F)cc2)cc(OC)c1OCC(N)=O 8330144 YFECGFUALCYBJD-UHFFFAOYSA-N 362.357 1.637 0 40 FDAB CCOc1ncccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 2632968 YGRHNXBJCVXGRJ-UHFFFAOYSA-N 355.350 1.622 0 40 FDAB aggregator CCN1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884646 RZXDLOXJDMNYRB-ZOPJHEKZSA-N 350.802 1.537 0 40 FDAB COc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)cc1 4986816 AREQGYLVJCGJFM-FUHWJXTLSA-N 369.421 1.979 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)n1 69438051 KYFZBQRGQDIHTJ-GJZGRUSLSA-N 371.445 1.726 0 40 FDAB CNC(=O)COC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 10560209 UIBPFIHTPYBSRO-UHFFFAOYSA-N 353.440 1.679 0 40 FDAB CC(C)[C@@H](C)NC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134275 XTURRABQEZUYLG-GFCCVEGCSA-N 362.455 1.781 0 40 FDAB O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3Cc2ccoc2)[C@H]1O5 102904188 JZHGDRXAGAFPQB-UMSONDCASA-N 367.401 1.909 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N[C@H]1CCOc2ccccc21 103320497 XMODVDMIOIBTJD-ZWKOTPCHSA-N 365.433 1.539 0 40 FDAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 23417246 HJLLMIMZBIGQIV-LBPRGKRZSA-N 362.407 1.826 0 40 FDAB c1ccc(-n2nnnc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 54771842 NFFLWVNKAOHNFX-UHFFFAOYSA-N 364.409 1.713 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1 61718011 WSKYIUNPFMRIFX-HNNXBMFYSA-N 353.426 1.940 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C=C(C)C)CC2)c1 24315443 QMZITLAQVXTZGW-UHFFFAOYSA-N 368.455 1.503 0 40 FDAB Cn1cc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 100145814 RJSRHJZGKXUKAU-IAGOWNOFSA-N 365.437 1.968 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCO2)cc1 24746462 LSIIYFPTZFLOGE-CQSZACIVSA-N 356.444 1.049 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2cccn2)cc(C)c1C 24805946 TUEBPTNLNDKZDK-LBPRGKRZSA-N 350.444 1.227 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@@H](C)[C@H]3CO)CC2)c1 107534669 WAFQNHPRKBNSTK-UYAOXDASSA-N 359.514 1.732 0 40 FDAB O=C(COC(=O)COc1ccc(Br)cc1)NC[C@@H]1CCCO1 3283794 COKKORBRVHCPGD-ZDUSSCGKSA-N 372.215 1.666 0 40 FDAB CC[C@H]1CCCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 27270957 PZSAJDAVPPUMRL-AWEZNQCLSA-N 351.472 1.488 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)nc2)CC1 58215907 GTYCEFCQOGIVRF-UHFFFAOYSA-N 355.460 1.869 0 40 FDAB CCOc1ccc2c(c1)CN(CC(=O)NC1CCN(C(C)=O)CC1)CC2 58245972 AWDSMXHJLRCQRW-UHFFFAOYSA-N 359.470 1.571 0 40 FDAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2137061 QVZVKNKBWUBIAU-UHFFFAOYSA-N 371.484 1.177 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCC3(CC2)OCCO3)CC1=O 28090449 XAYZPHKRRZCCJW-MRXNPFEDSA-N 358.438 1.967 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 10514455 UFQZEOIGBFMVQR-UHFFFAOYSA-N 370.427 1.615 0 40 FDAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36365573 JIYDFCOIRLCOAU-KRWDZBQOSA-N 359.382 1.016 0 40 FDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Br)cc2)C1=O 12767595 COQASMZCQZPDEX-ABAIWWIYSA-N 371.231 1.909 0 40 FDAB O=C(CN(C[C@@H]1CCCO1)C[C@H]1CCCO1)NC(=O)Nc1ccccc1 48375326 KCGJEKAYNXTFHP-CALCHBBNSA-N 361.442 1.995 0 40 FDAB Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccs3)C2=O)n(C)n1 97009967 OPPROUFBZDBUKW-NSHDSACASA-N 354.457 1.264 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)c(F)c1 12942449 PUOGMQRWTHDQDD-HNNXBMFYSA-N 352.362 1.566 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCOCC2)nc1 12939333 LUPDFKDSDZUINT-UHFFFAOYSA-N 372.400 1.768 0 40 FDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H]1CC(=O)N(C2CC2)C1=O 13020236 FJAGSCMDCSPPTK-INIZCTEOSA-N 372.425 1.195 0 40 FDAB Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 13040461 UJCLWDVEPHYURT-UHFFFAOYSA-N 374.510 1.963 0 40 FDAB CN(C)Cc1cccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 91701154 HTMCJHRZGSRYIK-QGZVFWFLSA-N 366.421 1.751 0 40 FDAB C[C@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1CCc1c2[nH]c2ccccc12 4029700 ZVLLOOYYXHBFPO-XCLFUZPHSA-N 353.422 1.789 0 40 FDAB biogenic COC(=O)CCN(C(=O)Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 13720483 FSVGOQZDZFLVOT-OAHLLOKOSA-N 353.440 1.116 0 40 FDAB COCCNC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 8742728 UTXMYUFXTYAGSB-QGZVFWFLSA-N 367.405 1.236 0 40 FDAB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]31 5246289 JFAMBVZGWVSBKC-NADOHHQUSA-N 374.780 1.395 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)no1 14112754 BBMYZYWAHSPYEP-GFCCVEGCSA-N 360.395 1.535 0 40 FDAB FC(F)(F)c1nnc2ccc(Sc3nnnn3C[C@@H]3CCCO3)nn12 14273642 HCKWEWQMKLXVTC-ZETCQYMHSA-N 372.336 1.460 0 40 FDAB COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 6690980 QUCUWLQYESVDEW-UKRRQHHQSA-N 371.393 1.147 0 40 FDAB CCCNC(=O)CN(C)C(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 6880933 YYNCPILFIHWRPG-UHFFFAOYSA-N 358.446 1.448 0 40 FDAB CNC(=O)[C@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc23)c1C 66834886 TZOJRLQRSDMGGE-MRXNPFEDSA-N 364.409 1.475 0 40 FDAB CCCn1c(S[C@H](C)C(=O)N2CCNC2=O)nnc1-c1ccncc1 7299358 KPRXEILUQWIIAD-LLVKDONJSA-N 360.443 1.783 0 40 FDAB CCc1ccc(CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 7442666 HWRZMFZYVNBVJN-UHFFFAOYSA-N 372.469 1.967 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)n2N)n1 7530872 AMICLNXLIXJSSL-NSHDSACASA-N 361.431 1.357 0 40 FDAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCC(N)=O)cc2)cc1 7581276 DUAUFQHYINJYOL-LBPRGKRZSA-N 357.362 1.988 0 40 FDAB CC(C)CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 7778207 SSDJVRAJULZPHH-PXAZEXFGSA-N 352.435 1.359 0 40 FDAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)N1CCCC1 19424547 YHUJQWIGAGPBQK-UHFFFAOYSA-N 351.453 1.961 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)NC2(CCCC2)C1=O 9533487 ZHGOSTPDPCTQCU-UHFFFAOYSA-N 365.455 1.313 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 9726218 VLULKXNERPKYIE-UHFFFAOYSA-N 367.390 1.780 0 40 FDAB Cc1onc(-c2ccncc2)c1C(=O)OCc1nc(N)nc(N(C)C)n1 95971247 VUPOUSIHJDCTPV-UHFFFAOYSA-N 355.358 1.235 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)C2(O)CCCCC2)CC1 86536764 SWUDCQKYMMPVFT-UHFFFAOYSA-N 356.426 1.543 0 40 FDAB CCCNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408602835 AYRQGAANHZUPLE-UHFFFAOYSA-N 363.277 1.737 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 32916590 NCYAIEIQFBOSAP-ZDUSSCGKSA-N 372.512 1.125 0 40 FDAB O=C(O)c1ccc(N2CCOCC2)c(S(=O)(=O)NC2CCCCC2)c1 217449150 UWKFJFOCQOWLEY-UHFFFAOYSA-N 368.455 1.832 0 40 FDAB CC(C)[C@H]1NC(=O)N(CC2=N[C@@H]3[C@@H](C=NN3c3ccccc3)C(O)=N2)C1=O 36580034 VKTFYZZYQLGMTA-YUELXQCFSA-N 368.397 1.380 0 40 FDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2c(cnn2C)c1=O 39539236 QUVONLGWHABWNQ-GFCCVEGCSA-N 357.389 1.879 0 40 FDAB COc1cc(/C=C/C(=O)NC[C@H](C)N2CCOCC2)cc(OC)c1OC 33081273 UFBFICZLSIPGAK-GJBLVYBDSA-N 364.442 1.563 0 40 FDAB O=C(N[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1O)c1ccns1 1041189283 VQEBXCZVLZZPOY-NXEZZACHSA-N 358.345 1.536 0 40 FDAB Cn1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)nn1 70638642 FIILWLSFPWFODS-UHFFFAOYSA-N 374.451 1.784 0 40 FDAB COC(=O)c1ccc(CN2CCN[C@@H](C)C2)c(I)c1 39951866 MSCBSIOSWYRFPK-JTQLQIEISA-N 374.222 1.872 0 40 FDAB O=S(=O)(c1ccc(N2CCN(c3ncccn3)CC2)cc1)C(F)F 43272598 USCWXEAXDGSWSK-UHFFFAOYSA-N 354.382 1.800 0 40 FDAB Cc1occc1C(=O)NC[C@@H]1COCc2c(-c3ccnn3C)nnn2C1 96045666 RRQMGHWRYFWVKS-LBPRGKRZSA-N 356.386 1.156 0 40 FDAB COc1ncccc1CN1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1 96187408 CRRVDWDUVMJDNJ-CYBMUJFWSA-N 355.442 1.996 0 40 FDAB COc1cccc(CN2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)c1 96144787 UIOMAZIPGMHGQZ-MRXNPFEDSA-N 356.426 1.267 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(F)cc1C)C2 247856880 XXSMVYSNTGJVJG-ZDUSSCGKSA-N 355.431 1.800 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCc3ccccc32)C1 245224702 CBYOGLXLRACHDH-ZBFHGGJFSA-N 352.456 1.783 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c1 252479591 BIEAIRRMVKKBSH-INIZCTEOSA-N 362.455 1.968 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)ccn1 257279499 OGXUXNWHLRGAMC-CQSZACIVSA-N 357.370 1.058 0 40 FDAB CN(C)C(=O)[C@@H]1C[C@@H](n2cc(C(=O)O)ccc2=O)[C@H](c2ccccc2)N1C 257216716 CVUCNJMMEVUTER-RYRKJORJSA-N 369.421 1.621 0 40 FDAB COc1ncc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 257342094 ZNBVLPMSBJHJPA-OAHLLOKOSA-N 351.414 1.841 0 40 FDAB Cc1cc(C[C@H](C)NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)n[nH]1 275592045 KHYFCHIRYGIAPF-BLLLJJGKSA-N 373.461 1.288 0 40 FDAB COC(=O)COc1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1 1633863721 DDMDKEIPFQXYNY-UHFFFAOYSA-N 354.366 1.646 0 40 FDAB CCn1ncc2c(C(=O)NCCN(C)CCO)cc(-c3cccs3)nc21 1649378154 VGKURDBNRIPAQW-UHFFFAOYSA-N 373.482 1.834 0 40 FDAB COC[C@@]1(C)NC(=O)N(Cc2cc(Br)cnc2OC)C1=O 663965635 IPWJDKBSRUBGDQ-CYBMUJFWSA-N 358.192 1.310 0 40 FDAB Cc1nc(C(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3ccnn3C)C2)c(C)s1 1615545670 CNUOVCOYPHFIJZ-ZIAGYGMSSA-N 373.482 1.628 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCC2 650231280 JZPBQCAZZSGURP-INIZCTEOSA-N 355.412 1.266 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2scnc2C)Cc2ccnn21 585112137 IQSDRXJCLMRJFF-CQSZACIVSA-N 369.516 1.534 0 40 FDAB O=C(C[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21)NCC1CCOCC1 585095451 YRYCZGOWPVEZAK-QGZVFWFLSA-N 360.458 1.499 0 40 FDAB O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@@H]1COc1cccnc1 585097791 PTHKMSCMGWYPCN-MRXNPFEDSA-N 356.426 1.763 0 40 FDAB Cc1cccc(C[C@@]2(CO)CN(CC(=O)Nc3ccccn3)CCO2)c1 585277104 JZFRYJVSYWGBKA-FQEVSTJZSA-N 355.438 1.635 0 40 FDAB O=C(Cc1ccccc1O)N1CCN(CC(=O)N2CCCCCC2)CC1 69349208 JRZFODDTFFBCPW-UHFFFAOYSA-N 359.470 1.482 0 40 FDAB Cn1nccc1[C@H](O)CNc1nc(O)c2cnn(-c3ccccc3)c2n1 1651449477 HKJGRRTYMOMMSY-CQSZACIVSA-N 351.370 1.400 0 40 FDAB Cc1cc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)no1 1549160529 GGTQKQZADYARCD-MRXNPFEDSA-N 374.441 1.391 0 40 FDAB CCOC(=O)C1=C(Cn2cc(C(F)(F)F)ccc2=O)NC(=O)N[C@@H]1C 5231416 IGWWIBSWAVIKQA-MRVPVSSYSA-N 359.304 1.386 0 40 FDAB O=C(NCc1ccc(C(=O)O)cc1)C(=O)NCc1ccc(C(=O)O)cc1 5944777 MILZFADZYXSFSP-UHFFFAOYSA-N 356.334 1.016 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)no1 12146318 DKOZNFCEGDNORZ-CQSZACIVSA-N 354.366 1.573 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 19237934 OXXWABHQSRGPJS-RDTXWAMCSA-N 368.485 1.969 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19502015 NQUHMJFFFHSEEE-HRLGVUPISA-N 360.410 1.370 0 40 FDAB COc1cccc(OC)c1OCC(=O)N1CCN(Cc2ccccn2)CC1 19568217 LBLPEGHBZWKNKK-UHFFFAOYSA-N 371.437 1.822 0 40 FDAB CN1CCN(CC(=O)N[C@@H](Cc2cccs2)c2nccs2)CC1 19589987 XVTXVGYJAJJFKR-AWEZNQCLSA-N 350.513 1.852 0 40 FDAB CN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O 19700371 NSUOZNQMXKJFID-UHFFFAOYSA-N 356.470 1.667 0 40 FDAB COc1cncc(O[C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)n1 225500703 AKBKEVCRSLLSAF-SJORKVTESA-N 369.421 1.997 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)n1 1888843252 PBHADXQCUYFIQK-QWRGUYRKSA-N 366.347 1.867 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 28015542 LUFGFABXYGRWOI-GOSISDBHSA-N 361.486 1.506 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1OC 28263763 NQGCYEGFJGEBJO-MJBXVCDLSA-N 362.426 1.693 0 40 FDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)[C@@H]2CN1 2037984660 ITDLHJWOYLPRNX-ZHALLVOQSA-N 354.381 1.949 0 40 FDAB COc1cnc(O[C@@H]2CCN(c3ccc4nnc(C5CC5)n4n3)C2)nc1 2087045426 PDVCIPCCHUJAMH-GFCCVEGCSA-N 353.386 1.458 0 40 FDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1565542524 LBGDUSWHUIWJNW-LJQANCHMSA-N 362.449 1.166 0 40 FDAB CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21 4359078 QVHBBUXPEQWKPJ-UHFFFAOYSA-N 367.336 1.784 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](Oc3ccncn3)C2)c1 575609872 RFSSEOLNNBRQPA-ZDUSSCGKSA-N 351.432 1.486 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnsn3)C2)cc1 618256061 CKJDWYBKTRJJJB-LLVKDONJSA-N 369.424 1.167 0 40 FDAB COC(=O)[C@@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)C 100761048 FPCMGCJRDLHNDM-XEZPLFJOSA-N 363.483 1.340 0 40 FDAB biogenic CC(=O)NCCc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1F 40127521 AMVWLNZBRLEUBD-UHFFFAOYSA-N 368.368 1.492 0 40 FDAB O=C(NCCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccncc1 40130530 AWYUETHADGGAIB-UHFFFAOYSA-N 370.428 1.685 0 40 FDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cn1C 50535307 QRJHTBWIZMFFDT-UHFFFAOYSA-N 354.476 1.142 0 40 FDAB O=C1C[C@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)nc2N1 101098799 IGSVDAVUJJGGQP-HZSPNIEDSA-N 363.377 1.665 0 40 FDAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(Cc1ccco1)CN2 20572553 HLPFTHBDWGJNCP-UHFFFAOYSA-N 352.394 1.758 0 40 FDAB Cc1csc(CCNC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)n1 101413770 AUTWUYPNBGBGJI-ZDUSSCGKSA-N 358.423 1.901 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 46081800 XNIRRVADEZJOJP-MSOLQXFVSA-N 372.465 1.879 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3ccc(F)cc3)CCC2)C1 60084803 IDJDKIILACEPLY-ZDUSSCGKSA-N 354.447 1.993 0 40 FDAB Cc1ccc2nc(CSc3nnc(-c4cccnc4)n3N)cc(=O)n2c1 2623053 DLWWNSNVPSBUQY-UHFFFAOYSA-N 365.422 1.663 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1C 813928 MBSVSANQKUJPPU-UHFFFAOYSA-N 354.472 1.929 0 40 FDAB O=C(c1ccccc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 852548 KHQVZODTAXBNGR-UHFFFAOYSA-N 355.419 1.594 0 40 FDAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccccc3)CO[C@H]12)c1ccco1 4259558 VZIGVDJFLVPNLB-WMHQRMGPSA-N 367.365 1.070 0 40 FDAB biogenic,in-vitro O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCc1ccccn1 6161587 OVIYIBHXWHQEMF-UHFFFAOYSA-N 369.446 1.872 0 40 FDAB COCCNc1nnc(SCC(=O)NC(=O)c2ccccc2)s1 6427378 AWPAFADJXZPDLX-UHFFFAOYSA-N 352.441 1.645 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 7323351 DBEXGBLGHRVBPQ-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H]3C(N)=O)cs2)cc1 102949471 ITHVMSUMWWYXMN-CQSZACIVSA-N 365.480 1.663 0 40 FDAB Cc1ccsc1C(=O)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 10647486 YLSDQDSMDOJOTF-UHFFFAOYSA-N 368.436 1.177 0 40 FDAB COCCCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 8103725 BSOWWXGLKZWDJT-UHFFFAOYSA-N 355.243 1.424 0 40 FDAB CC(=O)c1ccccc1OCCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22935217 SEEGFGDUXKLYRF-MRXNPFEDSA-N 366.483 1.073 0 40 FDAB CS(=O)(=O)CCSc1nc(CN2CCOCC2)nc2ccccc12 54247696 NPRZTFIXPGPFIM-UHFFFAOYSA-N 367.496 1.599 0 40 FDAB C[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104691700 FHVJNOOBLXSNLS-WFGGJUAMSA-N 368.437 1.436 0 40 FDAB O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)NC1=NCCS1 42882536 DVBFUJCRTIRIOG-FPYGCLRLSA-N 351.453 1.360 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 105698863 SEUHGGIOEYEMND-IAGOWNOFSA-N 355.438 1.580 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1ccccn1 12543571 OSISMAOIYVYQCO-NSHDSACASA-N 363.464 1.799 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(OC)c3c(c1)OCO3)n2C 12538930 KERLZFABORMCTP-UHFFFAOYSA-N 372.381 1.628 0 40 FDAB CCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCOCC3)C2=O)cc1 100594375 DGWGXDOEIXFXGU-QGZVFWFLSA-N 361.442 1.029 0 40 FDAB C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC(C)(C)O1 58208951 ONXPWUCMTMNQSY-LBPRGKRZSA-N 358.435 1.520 0 40 FDAB CCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccco1)Cc1ccccc1 58218239 QILSVQMZVPHOEU-OAHLLOKOSA-N 358.394 1.548 0 40 FDAB Cc1cc(OCC(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2106792 WZWDOODYPQXYJB-UHFFFAOYSA-N 359.378 1.950 0 40 FDAB biogenic O=C(NC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1)c1cccnc1 58367500 JQRFBQUZFJUVOZ-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)N1CCCC1 21025416 UZFCTVLOYVINNM-UHFFFAOYSA-N 357.801 1.834 0 40 FDAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)cc(OC)c1OCC(N)=O 48265012 RJTUSYZWTSVQNB-NSHDSACASA-N 359.382 1.454 0 40 FDAB CC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(OC)cc1 11237975 FCXBXXPYFHDPTC-OAHLLOKOSA-N 355.398 1.406 0 40 FDAB Cn1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 48287357 GZRGNYCVJHBRKB-UHFFFAOYSA-N 354.336 1.628 0 40 FDAB NC(=O)CC1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 48311430 ONNQIRTWBGPERG-UHFFFAOYSA-N 368.231 1.902 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccccc2F)C1 3484666 FCKYNNPAJXAQHG-CHWSQXEVSA-N 350.390 1.603 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCC(/C(O)=N/S(C)(=O)=O)CC2)c1 48480923 RGMRZCBKFYWJHI-UHFFFAOYSA-N 370.427 1.472 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1 12992918 OHCCSDQVQNAXMA-UHFFFAOYSA-N 374.466 1.692 0 40 FDAB NC(=O)COc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 12907020 VYUHTORIJYWDIQ-UHFFFAOYSA-N 355.350 1.487 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(Cn3ccn(C)c3=S)CC2)cc1 13069550 ORUUPJPEGYEQLZ-UHFFFAOYSA-N 366.512 1.829 0 40 FDAB COc1ccc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4cccnc4)N3N2)cc1 13123518 LCIRNIQAKVCOBY-INIZCTEOSA-N 362.393 1.527 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2[C@@H]1C 8704248 YLVIZPKSJQOPHZ-SNVBAGLBSA-N 372.816 1.961 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C)cc1 8750641 RYVIUTVOJOKCNN-UHFFFAOYSA-N 362.451 1.850 0 40 FDAB Cc1cccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 14199879 YKBIAKWOURFZJP-IRXDYDNUSA-N 367.515 1.467 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC(C)C)cc1C 28209707 XCQIACOXTIEOGF-ZDUSSCGKSA-N 354.428 1.208 0 40 FDAB O=C1C[C@@H](C(=O)NCc2cccnc2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088357 RAHZGDBFKJCMAQ-RDTXWAMCSA-N 354.362 1.773 0 40 FDAB Cc1ccc(NC(=O)CCNCc2ccco2)cc1S(=O)(=O)N(C)C 5753453 JERXUZDUHZHUPL-UHFFFAOYSA-N 365.455 1.957 0 40 FDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1C 5871071 BZVDADSVBMRUFR-UHFFFAOYSA-N 353.378 1.816 0 40 FDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC[C@H]1COc2ccccc2O1 4958756 ACDFEIHAQWISSG-LBPRGKRZSA-N 367.361 1.676 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccc(C=O)cc1 5938456 VHGRZZSIFWZXGK-UHFFFAOYSA-N 362.363 1.220 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O 16025214 GYAPDKXGGGAIHT-ZCKNLUEWSA-N 355.438 1.789 0 40 FDAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCNC1=O 7876543 YSLUSEAOXFVXBS-SNVBAGLBSA-N 358.427 1.707 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)N1CCCC1 9343684 AJCAVCQNJPFHCP-UHFFFAOYSA-N 352.394 1.573 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 16596155 KHVGOILYQUJJCR-KRWDZBQOSA-N 354.406 1.625 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)c2ccccc2O1 69785941 HZFDDGZHWBOFQD-MEDUHNTESA-N 356.426 1.681 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 96316516 IOWSVQRVGFRRNP-HZPDHXFCSA-N 369.421 1.668 0 40 FDAB O=C1[C@@H](N2CCN(Cc3cccnc3)CC2)CCCN1CC(F)(F)F 95442089 JHWSOWVRQXGIQK-HNNXBMFYSA-N 356.392 1.753 0 40 FDAB CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1(C)C 95463072 UANRBOBQHCUVBZ-DDTOSNHZSA-N 361.485 1.428 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 79020012 SQAOWXDIUVTZLL-IAGOWNOFSA-N 367.405 1.149 0 40 FDAB O=C(NCCSCCCO)c1cccc(NC(=O)[C@H]2CCCO2)c1 79109892 HZVGIUYVMDPFDY-OAHLLOKOSA-N 352.456 1.650 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCc3ccccc32)c1 89322661 MUBJHYFVNKFFBG-LJQANCHMSA-N 374.462 1.501 0 40 FDAB Cc1noc(CCCC(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 79107054 FGFUOBKENDZMIF-QZTJIDSGSA-N 370.453 1.813 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(F)cc2N)CC1 24209833 VWFOMIUCJIBIPY-UHFFFAOYSA-N 367.377 1.302 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2csc(C)n2)Cc2cncn21 306125454 CRONCVRTYXXTQQ-AWEZNQCLSA-N 355.489 1.144 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(Cn2ccnn2)cc1 527793345 ZVPSGGLPJGIXBT-UHFFFAOYSA-N 364.409 1.810 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 72378005 WWVGFLHECJFZJN-HNNXBMFYSA-N 368.441 1.766 0 40 FDAB C[C@@H](Oc1cccc(F)c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 124775349 IPYUMLZZGBGGQK-GFCCVEGCSA-N 358.435 1.381 0 40 FDAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NCCN4CCOCC4)[C@@H]32)Oc2ccccc21 72334251 WEHSMKAKMIUGAX-FEGHXTNJSA-N 370.449 1.495 0 40 FDAB CN1CCC(NC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)CC1 225799887 XJGHIWDBYUQEAH-UHFFFAOYSA-N 356.517 1.463 0 40 FDAB C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cccc(Cl)c2)CC1 46167695 RHBLGSOCOMRNEU-OAHLLOKOSA-N 351.878 1.705 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)CCn2cnc3ccccc32)CC1 195397389 SHWNRCMHKQHCMO-UHFFFAOYSA-N 364.471 1.214 0 40 FDAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2cnn(C)c2)CC1=O 96230949 WYUBAQVXDYNEFF-ZDUSSCGKSA-N 358.398 1.295 0 40 FDAB O=C(c1n[nH]c2c1CN(Cc1ccc3c(c1)OCO3)CC2)N1CCCC1 96066590 JDYLAJSZVJDKQK-UHFFFAOYSA-N 354.410 1.933 0 40 FDAB Cc1cc([C@H]2CCCN2C(=O)NCc2ncccc2S(C)(=O)=O)on1 331603291 MFVUAHHDZWKDBP-CYBMUJFWSA-N 364.427 1.828 0 40 FDAB CCCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228222 OTGULLLFPSRXPX-UHFFFAOYSA-N 351.472 1.778 0 40 FDAB O=C(CN1CCCCCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257209790 BRXAMBMTDXTCTN-KRWDZBQOSA-N 359.461 1.557 0 40 FDAB CCc1nccn1CCC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257310105 UDRUYDAHSCIFOR-CQSZACIVSA-N 359.430 1.049 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)C(=O)O 252515356 IXKAONPVWWUNET-LOWVWBTDSA-N 362.245 1.379 0 40 FDAB CC(=O)N1CCN(CC(=O)N(C)C)C[C@@H](Cc2cccc3cccnc23)C1 257318539 VOIGULADOZMJNC-QGZVFWFLSA-N 368.481 1.646 0 40 FDAB CCCCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 42062302 WCZWDJXSTXAWET-CYBMUJFWSA-N 354.476 1.728 0 40 FDAB Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(O)c21 585655826 WLXSCRWHMLYREP-GFCCVEGCSA-N 356.430 1.997 0 40 FDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCO[C@@H]2CCC[C@@H]21 627843683 CLKZWZALEMQJHX-AEGPPILISA-N 362.430 1.033 0 40 FDAB O=C(O)c1cncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 630114408 OFMNPVZXGXPEDG-KRWDZBQOSA-N 367.405 1.743 0 40 FDAB COc1nc(N2C[C@H](OC)C[C@H]2c2ncc[nH]2)ncc1Br 643745173 VZHZDLSOWAVCFV-SCZZXKLOSA-N 354.208 1.937 0 40 FDAB COc1cc(C)nc(N2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)n1 677289095 WMTRHYUCEMSQIU-UHFFFAOYSA-N 371.441 1.938 0 40 FDAB CN1C(=O)CC[C@@H](C(=O)Nc2nc3ccc(F)cc3[nH]2)[C@@H]1c1cnn(C)c1 683789700 HXUNSPWLAPLRNL-WBMJQRKESA-N 370.388 1.984 0 40 FDAB C[C@@H]1CN(c2ccc3cn[nH]c3c2)C(=O)CN1C(=O)Cc1cnccn1 77288154 BWXUXWFJHRMCSG-GFCCVEGCSA-N 350.382 1.159 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 96124193 XCBYBVIPNAAHSR-UHFFFAOYSA-N 353.400 1.432 0 40 FDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(C(=O)c2cccs2)CC1 9155769 MDZHMZKHYRZKFI-UHFFFAOYSA-N 367.434 1.927 0 40 FDAB C[C@H]1CN(CCN(C)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 579486986 CYZCNNHPJUOEIA-BBWFWOEESA-N 374.485 1.543 0 40 FDAB Cc1ncoc1C(=O)N1Cc2ncn(C)c2C[C@@H]1COc1ncccn1 585094953 WOBIGJDNFOTQGT-GFCCVEGCSA-N 354.370 1.153 0 40 FDAB COc1ncc(C(=O)N2CCC[C@@](O)(COc3ccc(C)cc3)C2)cn1 585276553 MSWBSIFZTNOIBD-IBGZPJMESA-N 357.410 1.840 0 40 FDAB O=C(c1ccnc(F)c1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 585104018 FSLDJRCUIVHJKN-IFXJQAMLSA-N 370.384 1.273 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 43941849 IGNNFQRZCPBCCI-UHFFFAOYSA-N 367.833 1.551 0 40 FDAB CC[C@](C)(CNC(=O)COCc1cccc(OC)c1)N1CCOCC1 46788504 KEYKSVRFAYOGIA-LJQANCHMSA-N 350.459 1.829 0 40 FDAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 58006443 NFNBPYXLVIEXPJ-UHFFFAOYSA-N 352.343 1.512 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)C3(C(F)F)CCC3)CC2)cn1 630884274 TYLFETSGOFIRIV-UHFFFAOYSA-N 354.401 1.824 0 40 FDAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 12820593 CEWJTDRMQNKBQF-HNNXBMFYSA-N 368.455 1.541 0 40 FDAB CCCC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CCC)[nH]c(=O)c2C1 19501607 DGCMLAJIVRKTRF-OAHLLOKOSA-N 360.458 1.918 0 40 FDAB Cc1noc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1 19719231 RUSMGJSCGVGIBA-UHFFFAOYSA-N 352.416 1.508 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)NC1=S 8333749 CGEBMTFUPXYCDF-WDZFZDKYSA-N 350.396 1.243 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(NC(C)=O)ccc1C 643971898 GDNWYNJSQMRBRY-INIZCTEOSA-N 370.427 1.208 0 40 FDAB CCn1cc(C2CCN(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2)cn1 654640107 ZMCPIRGTHMILIN-OAHLLOKOSA-N 373.461 1.962 0 40 FDAB CCc1nc(N2C[C@@H]3CN(c4ncc(Cl)cn4)C[C@H]3C2)nc(O)c1F 1888856894 VPEZBSQBLSOSKW-UWVGGRQHSA-N 364.812 1.900 0 40 FDAB Cn1nc2c(c1CN1C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C1)CCC2 1888856900 VWAMJNFWDABCPV-IAGOWNOFSA-N 364.449 1.526 0 40 FDAB Cc1ccccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889109973 FUNKJLARZCDERU-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)Cn2ccnc2)C(C)C)cc1 40092445 BHLFKDNAOCUVEG-YOEHRIQHSA-N 358.442 1.851 0 40 FDAB O=S(=O)(/C=C/c1ccccc1)NCCn1ccc(-c2cnccn2)n1 253474288 DRKRXFGVPNEWAH-NTUHNPAUSA-N 355.423 1.930 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)[C@]2(C)CC=CCC2)C[C@]2(CNC(=O)C2)C1 1565553490 AVYXXDKUDFCUBQ-MOPGFXCFSA-N 362.474 1.065 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)CCc1ccc[nH]1)C2 1565545584 LAVPUHLQCXEDIV-CQSZACIVSA-N 373.457 1.077 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@H](CNC(=O)[C@@]1(C)CC=CCC1)OC2 1565546716 IVYOJZOJLKXGHX-YJYMSZOUSA-N 360.458 1.852 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H]2C(=O)N(c3ccsc3)CC[C@H]2C1 1565542567 AYBKKODXEPWWAN-GOEBONIOSA-N 356.451 1.982 0 40 FDAB Cc1nn(C)cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 2763917 PUKHPKICQXTSSM-UHFFFAOYSA-N 350.425 1.994 0 40 FDAB COc1ccc(CC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250894 QGCXUYXRVMCMKG-UHFFFAOYSA-N 355.398 1.669 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CC(Oc4nccs4)C3)CC2=O)cc1 206919548 NBRJLSOXAXIGCU-GFCCVEGCSA-N 373.434 1.794 0 40 FDAB Cc1cccnc1OCC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 585525741 AZOHIZKVZZMLLO-UHFFFAOYSA-N 350.444 1.603 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cn1cc(Br)ccc1=O 24996069 XFNVWIDYFFHBIW-LBPRGKRZSA-N 365.231 1.538 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 40072673 OECJYMXOMAJNMR-BBRMVZONSA-N 351.472 1.930 0 40 FDAB COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)nc2)cc1 31315016 IJRCJYHPXHEONT-UHFFFAOYSA-N 368.437 1.737 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)NCC(F)(F)F 2643074 MMTIIUFHQGVOQJ-OAHLLOKOSA-N 355.316 1.144 0 40 FDAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4nncn4c3)C2)n1 101857467 CLXAOJLFPAWERX-AWEZNQCLSA-N 364.409 1.924 0 40 FDAB O=C(CCNS(=O)(=O)c1cccs1)Nc1nnc(C2CC2)s1 21291900 ZGVVUCZUHUBKJF-UHFFFAOYSA-N 358.470 1.784 0 40 FDAB CC(C)c1cccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c1 32755062 IADWDVQXAHMNPV-MRXNPFEDSA-N 357.454 1.887 0 40 FDAB Cc1c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)oc2c1C(=O)CCC2 56868194 BMETYYQTXDEWFW-GFCCVEGCSA-N 368.455 1.651 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(F)cc2c1OCOC2 12542814 SKLTUEZLIZFUNP-UHFFFAOYSA-N 364.398 1.902 0 40 FDAB CCN(CC)C(=O)CN(C)CC(=O)Nc1ccccc1N1CCOCC1 12534155 DCERNSBVNMXNLD-UHFFFAOYSA-N 362.474 1.262 0 40 FDAB O=C(OCC(=O)N1CCCC1=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 108397148 TUYZLSYJZFAZMG-ILXRZTDVSA-N 372.425 1.306 0 40 FDAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 27341151 NPMNJHTZANHQRO-GIDUJCDVSA-N 365.455 1.057 0 40 FDAB COc1cccc(NC(=O)CN(C)[C@@H]2CC(=O)N(CCC(C)C)C2=O)c1 10168245 VDSHTIDVBRFFPT-MRXNPFEDSA-N 361.442 1.739 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 58210823 OSQSBRYVWBAPMS-HNNXBMFYSA-N 373.544 1.529 0 40 FDAB CC(C)[C@H](C(=O)N1CCC2(CC1)OCCO2)N1C(=O)c2ccccc2C1=O 58202459 KZJCEORUYBWKAH-MRXNPFEDSA-N 372.421 1.673 0 40 FDAB CC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 11127130 ZCUILAYFZQPBDA-UHFFFAOYSA-N 354.410 1.807 0 40 FDAB COc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1OC 11379373 DYHOIHCZWSJKBB-UHFFFAOYSA-N 357.370 1.176 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)NCc1ccccc1)C2=O 3595698 UQNNZVRBQMEIDG-ORAYPTAESA-N 372.425 1.513 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 8710756 ADMYOYSXFMCISD-UHFFFAOYSA-N 374.470 1.805 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCOc2ccccc21 13003442 NJFKNTKGYOBSKD-HNNXBMFYSA-N 365.389 1.720 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F 18434898 JYQWYJKCTGNWCI-FZMZJTMJSA-N 372.418 1.428 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C(=O)O)C(C)C)c1 9537162 IFBDOUGVDBPEAW-HNNXBMFYSA-N 370.471 1.865 0 40 FDAB Cc1c(C)c(C)c(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)c(C)c1C 4089445 YPBVQJYYMGQZJG-UHFFFAOYSA-N 352.456 1.799 0 40 FDAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCCCC1 20465830 DFTYQPPYGKMYJX-IVAOSVALSA-N 362.514 1.572 0 40 FDAB biogenic,in-vitro O=C(CN1C(=O)c2ccccc2C1=O)OCc1nc2ccsc2c(=O)[nH]1 5171690 RFOHNEOTHFLYNI-UHFFFAOYSA-N 369.358 1.324 0 40 FDAB COCCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8981745 IYIPOLJZPULHMG-CQSZACIVSA-N 363.414 1.067 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1 9060299 NQILRDFIZLMUSS-AWEZNQCLSA-N 357.462 1.170 0 40 FDAB COC(=O)CC1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 71284375 MXNLBMLPLNGKOL-UHFFFAOYSA-N 357.410 1.278 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCOc2cccc(Cl)c2)n(C)c1=O 6553438 HHWKNMKZLNBTNJ-UHFFFAOYSA-N 369.208 1.820 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)CC1 6581929 RWCXLYNWCVJQDO-UHFFFAOYSA-N 363.418 1.394 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 5570272 KGTNYNALSQHRHS-UHFFFAOYSA-N 356.334 1.321 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 5628807 RJXJWWBHVQDWAK-UHFFFAOYSA-N 361.373 1.518 0 40 FDAB O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306125439 CQYUBEJSKVAJPF-UHFFFAOYSA-N 357.458 1.383 0 40 FDAB COc1ccc(CCNC(=O)Cn2ncc(=O)c3ccccc32)cc1OC 7245309 BRBGYYOVLJPMSS-UHFFFAOYSA-N 367.405 1.773 0 40 FDAB COc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005346 AGFZUDUJNDHTJG-HNNXBMFYSA-N 367.471 1.557 0 40 FDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)C3(F)CCOCC3)C1)COC2 306143093 XTFAPVALDFLSHS-QGZVFWFLSA-N 364.421 1.062 0 40 FDAB Cc1cc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)Nc2ccccc2)no1 9315121 GCZPXKBPYQCEQS-GFCCVEGCSA-N 359.386 1.590 0 40 FDAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 8216337 OQLFOPKQIKWIAO-WDEREUQCSA-N 358.427 1.942 0 40 FDAB C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1cccs1 8328969 XVGXJBNKQZULKP-SSDOTTSWSA-N 358.217 1.238 0 40 FDAB CCOC(=O)C[C@@H](c1ccc2nccnc2c1)c1oc(CO)cc(=O)c1O 72324449 JBUSYDPHMOWTIB-ZDUSSCGKSA-N 370.361 1.866 0 40 FDAB biogenic COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1 95479052 AZIKIFNIYZMDBX-CYBMUJFWSA-N 374.422 1.909 0 40 FDAB NC(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 95953995 RMYRCGYWMWXGGS-QGZVFWFLSA-N 367.405 1.253 0 40 FDAB CCn1nc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)ccc1=O 95957367 BVVRPIJTGUMEOG-UHFFFAOYSA-N 370.409 1.610 0 40 FDAB C[C@@H](O)CCN(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 75092848 XPJXHWDWTORVOD-CYBMUJFWSA-N 372.462 1.843 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COC)S(C)(=O)=O)cc1 408629593 DYJBVSHPOJOUMK-STQMWFEESA-N 358.460 1.391 0 40 FDAB Cc1nccc(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 78265845 CNPFMKSNVNOKEO-UHFFFAOYSA-N 361.471 1.333 0 40 FDAB Cn1ccnc1CN1CCC(C(=O)Nc2cc(C(F)(F)F)[nH]n2)CC1 329861979 YFDSIICNMMCPDN-UHFFFAOYSA-N 356.352 2.013 0 40 FDAB O=C1CN(C(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)CCN1 49550260 YMNPYWCYDUTPJJ-UHFFFAOYSA-N 371.347 1.513 0 40 FDAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 222605013 OMRWOPXTGNIKMQ-ZDUSSCGKSA-N 368.455 1.782 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3ccc4nccnc4c3)C2)n1 225404645 QRZURZNFZLLTMX-AWEZNQCLSA-N 364.409 1.779 0 40 FDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C(=O)Cc1ccccc1)C2 514290223 VHBWRHBYQXBQFR-RTBURBONSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)O)CC4)c3CO2)cc1 98212972 LJIIKBOINOCQLU-MRXNPFEDSA-N 370.409 1.795 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1cnccn1)CC2)c1cnccn1 96051520 YJTYPPDKPJXYTH-OAHLLOKOSA-N 352.398 1.081 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)C(=O)N1CC 96261628 UKVNDEITDUBSQK-JKIFEVAISA-N 355.504 1.723 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1ccoc1)C2 96061954 IHNBQQXWJVPQFX-UHFFFAOYSA-N 353.382 1.401 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1scnc1C)C2 248066848 XFAKLWZCEUYSRL-CYBMUJFWSA-N 359.517 1.372 0 40 FDAB O=C(NCC[C@@H]1CN(c2ncccn2)Cc2ccnn2C1)c1ccco1 247475186 GWJLZOSWCCKCGA-CQSZACIVSA-N 352.398 1.723 0 40 FDAB CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)c1ccc(F)cc1 257274745 NMLIIZCASXSBSA-IBGZPJMESA-N 358.417 1.651 0 40 FDAB CC(=O)N1CCN(CCOc2cccc(C(F)(F)F)c2)C[C@@H]1C(N)=O 257227691 FQMGRQPEMOOATO-CQSZACIVSA-N 359.348 1.102 0 40 FDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257324969 WQYZLDMORYPQRY-HNNXBMFYSA-N 350.448 1.129 0 40 FDAB Nc1cc(CC[C@H]2CN(Cc3cccc(OCCO)c3)CCO2)ccn1 257239687 HQIXEXPAULPNAU-IBGZPJMESA-N 357.454 1.869 0 40 FDAB O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 42383487 QFIHVTNGIHUING-UHFFFAOYSA-N 358.460 1.554 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2nc3ccccc3s2)c1=O 90590893 BYOKZLPQXDXDKY-UHFFFAOYSA-N 371.344 1.640 0 40 FDAB O[C@@H]1CCN([C@H]2CCC[C@H]2NCc2cccc(CN3CCOCC3)c2)C1 643960520 YDMIYADSUHZSOR-NJYVYQBISA-N 359.514 1.596 0 40 FDAB CN1CCC[C@@H](CN(C)S(=O)(=O)CCC2CC2)[C@@H]1c1cncn1C 671436241 ZEJONCUYLJISJO-DOTOQJQBSA-N 354.520 1.865 0 40 FDAB CC(=O)N[C@H](C(=O)N1CC(OCc2nnc(C(C)C)o2)C1)C(C)(C)C 606445713 CMKBKELWXBESAV-CQSZACIVSA-N 352.435 1.471 0 40 FDAB O=C(CCCn1cncn1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287923 ICEPQPGJTXVQFS-YQVWRLOYSA-N 356.426 1.204 0 40 FDAB CCn1c(SCCn2cccn2)nc2cc(S(N)(=O)=O)ccc21 58167488 REWDHQCFOMZHOL-UHFFFAOYSA-N 351.457 1.692 0 40 FDAB Cc1ccccc1-c1noc(CN2CCN(CCN3CCCC3=O)CC2)n1 58225149 ORUDNQIBHUIWQS-UHFFFAOYSA-N 369.469 1.785 0 40 FDAB Cc1ccc2nc(CN3CCCC[C@@H]3C(=O)N3CCCC3)cc(=O)n2c1 58279489 WHTFXYLDHAXEOF-QGZVFWFLSA-N 354.454 1.980 0 40 FDAB COc1cccc(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 58210908 IKDAWLFJUDKSHO-UHFFFAOYSA-N 359.411 1.192 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156874 KGFPAHBEGREKPY-FQEVSTJZSA-N 357.454 1.507 0 40 FDAB CN(C(=O)CSc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 5627128 ULZXWMFMKWBCFU-CYBMUJFWSA-N 350.465 1.972 0 40 FDAB Cc1cc2oc(=O)cc(CN3CCC(NS(C)(=O)=O)CC3)c2cc1C 11104370 GIDWISYQFMOGTI-UHFFFAOYSA-N 364.467 1.923 0 40 FDAB Cc1cc(-c2cc(=O)n(CC(=O)NC[C@H]3CCCO3)nc2C(C)C)on1 13226127 KLBCBTROPNZQFM-CYBMUJFWSA-N 360.414 1.625 0 40 FDAB CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cc(F)ccc1OC 13581243 UQPHWLYCNNNHSZ-UHFFFAOYSA-N 358.435 1.857 0 40 FDAB COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3oc(C)cc3n2)c1 15733925 SDBVABZMMSAPRT-UHFFFAOYSA-N 371.349 1.078 0 40 FDAB COc1ccccc1C(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19568989 DWBNMSDHCBKZGL-CYBMUJFWSA-N 366.425 1.342 0 40 FDAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cccn3nnnc13)cn2C 19661819 RJHIKGLKRJWWQG-GFCCVEGCSA-N 364.409 1.986 0 40 FDAB O=C(CCOc1cccc(F)c1)N1CCC(c2nnc3n2CCNC3)CC1 19711271 NAYNNIFECLLYDP-UHFFFAOYSA-N 373.432 1.696 0 40 FDAB CNCc1cc(NC)nc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1 19760436 SCEJCAGZSXQNAK-MRXNPFEDSA-N 360.506 1.824 0 40 FDAB CCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)o1 554007641 YKNOEHCNKGOFBU-SJCJKPOMSA-N 359.430 1.423 0 40 FDAB O=C(c1ccnc(OC2CCCC2)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 244975202 IGJFAYUJJXNJKP-QGZVFWFLSA-N 373.453 1.866 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 253406022 UCJHGTYZYGCRIS-XYPHTWIQSA-N 357.410 1.239 0 40 FDAB CN1c2cc(F)c(NC(=O)NC3CCOCC3)cc2N(C)S1(=O)=O 575612116 KRZJLYCTGYQBNT-UHFFFAOYSA-N 358.395 1.257 0 40 FDAB CC(C)(C)C(=O)N1C[C@@H]2CN(C3=NS(=O)(=O)c4ccccc43)C[C@@H]2C1 1888856883 UDXBIWNDBIQZIO-BETUJISGSA-N 361.467 1.572 0 40 FDAB O=C([C@H]1CN(Cc2csc(C3CCCC3)n2)CCO1)N1CCOCC1 1889111376 GGUINAPEXIIXOP-MRXNPFEDSA-N 365.499 1.860 0 40 FDAB Cn1ncc2c(N3CCN(c4cc(C5CCC5)ncn4)CC3)ncnc21 1776009841 UBOXTLXZHJSVPV-UHFFFAOYSA-N 350.430 1.747 0 40 FDAB CCn1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037984661 ITGSXDYERNDASQ-JFIYKMOQSA-N 372.400 1.165 0 40 FDAB Cn1cccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)c1=O 1565551234 NWOAGIUEMLQGPC-OKZBNKHCSA-N 369.421 1.369 0 40 FDAB Cn1cnc(C(=O)NC[C@H]2CCc3ncc(C(=O)Nc4ccccc4)n32)n1 1565553976 IGHJKQOSDSCNGK-CYBMUJFWSA-N 365.397 1.181 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)c1 2055771984 OQMYEGPGIFZAAU-FQEVSTJZSA-N 370.453 1.540 0 40 FDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2ccnn2C)CC1 2055751392 RNTZVSBWRATRMF-UHFFFAOYSA-N 355.442 1.595 0 40 FDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cnn(C)c2)C1 2055751156 NJESBNLEIXNHEA-HXUWFJFHSA-N 371.485 1.629 0 40 FDAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Cl)cc1 23230078 SUPUMZHGSVZDOJ-HNNXBMFYSA-N 369.849 1.434 0 40 FDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccc3c(c1)OCO3)C2 225664856 VZQIZBACPUUZSM-STQMWFEESA-N 352.412 1.100 0 40 FDAB Cn1cc(-c2cncc(CNC(=O)[C@H]3COc4ccccc4O3)c2)cn1 575414335 GFAPQMXUDMFGEZ-GOSISDBHSA-N 350.378 1.938 0 40 FDAB O=C([C@H]1CCCN(c2ccc3nncn3n2)C1)N1CCC(F)(F)CC1 2298192569 AMVCPPXRSXUSFD-LBPRGKRZSA-N 350.373 1.598 0 40 FDAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@@H](C2)N1C(=O)CN 19585196 IVDGUDBBNHJWHU-DZGCQCFKSA-N 352.442 1.833 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1CNC[C@@H](C(=O)NCc2ccccc2)C1 1714857 OWUQXQLSZGJMBR-OALUTQOASA-N 351.450 1.845 0 40 FDAB CC(C)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 4938741 JWOJBWHITHZBJE-UHFFFAOYSA-N 355.398 1.196 0 40 FDAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(SC(F)F)cc1 32923972 MLMKFKRMEXJEFL-UHFFFAOYSA-N 364.439 1.462 0 40 FDAB O=S(=O)(c1ccc(F)cc1F)N1CCCN(C[C@@H]2CCCO2)CC1 58168616 ZHZVJGLAUXUGSO-AWEZNQCLSA-N 360.426 1.840 0 40 FDAB Cc1cc(C)nc(SCC(=O)NCc2ccc(N3CCOCC3)nc2)n1 22484462 YCJFKQYGMLICFG-UHFFFAOYSA-N 373.482 1.734 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1 9926909 QAAIDWGJUYCOLY-VXGBXAGGSA-N 356.831 1.832 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nncs1 23467504 IEUIJYLOJMPEPU-UHFFFAOYSA-N 352.441 1.702 0 40 FDAB CCCn1nc(C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)ccc1=O 23552712 NNVHXSAPTFPMDM-OAHLLOKOSA-N 372.381 1.007 0 40 FDAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccccc1OC 47410725 ORGAEJZPVCIUBR-OAHLLOKOSA-N 354.472 1.906 0 40 FDAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COC[C@@H]1CCCO1 24835922 CLELAKNAMXXCFE-GJZGRUSLSA-N 361.442 1.302 0 40 FDAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 22470740 JJJZMCAPIMNQNC-UHFFFAOYSA-N 350.378 1.473 0 40 FDAB Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc(S(=O)(=O)N(C)C)c1C 27866387 GKYYQYKBHOITQG-HIFRSBDPSA-N 354.472 1.851 0 40 FDAB CC(C)N1CCC[C@@H](CNC(=O)CCn2nnc3ccccc3c2=O)C1 58342925 OFQWOLQIGXSUGJ-HNNXBMFYSA-N 357.458 1.418 0 40 FDAB CCOCCN(C[C@H](C)C(=O)OC)C(=O)CCNC(=O)c1ccccc1 58392836 UITBLGSQIOFWKG-HNNXBMFYSA-N 364.442 1.481 0 40 FDAB CCN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 22860283 WRQDOSJEMAYISE-UHFFFAOYSA-N 365.499 1.990 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)CCO1 10865277 WHOJJGJQVJQMJD-BXUZGUMPSA-N 364.423 1.280 0 40 FDAB CCOc1ccccc1N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 36408751 ZDQSRVCNYKPNBX-UHFFFAOYSA-N 362.474 1.832 0 40 FDAB COC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619332 LSRDGQXZRCBGSI-AWEZNQCLSA-N 369.381 1.709 0 40 FDAB COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 3329836 HGKCUMOJAKZXSQ-UHFFFAOYSA-N 352.387 1.429 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CCO1 11502908 BEVLQHAWFKSYCP-JTQLQIEISA-N 358.847 1.642 0 40 FDAB COCCNC(=O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1 8746135 QPEJYYLJQACRSA-UHFFFAOYSA-N 354.472 1.775 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(COC)cc2)NC(=O)N[C@@H]1C 5085588 HULWNJVWXUCFAE-LLVKDONJSA-N 362.382 1.508 0 40 FDAB CN1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 13733371 AZTGSQNPXAOUGP-UHFFFAOYSA-N 370.453 1.276 0 40 FDAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 39998344 PWGLHXDXIWVAIW-INIZCTEOSA-N 361.467 1.774 0 40 FDAB C[C@H]1CN(C(=O)CNc2cc3c(cc2Br)OCCO3)CCO1 65475447 HRAFLWRDLPDCCC-JTQLQIEISA-N 371.231 1.880 0 40 FDAB CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 14093174 WANFGDDCYOSWCL-MRXNPFEDSA-N 364.398 1.870 0 40 FDAB C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCOCC1 14137321 DCBHFEOFSHHWKF-AWEZNQCLSA-N 369.421 1.765 0 40 FDAB COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4632240 QBLGRWTYFRDGFV-SIIHOXLZSA-N 362.382 1.361 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(C2SCCS2)cc1 5584643 WFSVWINUMIWVLO-UHFFFAOYSA-N 352.437 1.874 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1OC 6672216 PBTPESWEONGJDC-AAEUAGOBSA-N 356.469 1.799 0 40 FDAB COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 8990528 YCDPMHOPHXUGCF-INIZCTEOSA-N 371.393 1.805 0 40 FDAB CCN(CCNC(=O)CSc1nc(N)cc(N)n1)c1cccc(C)c1 7692811 GIEJQGNLHJVLSZ-UHFFFAOYSA-N 360.487 1.684 0 40 FDAB CCCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 7990613 BRPFRRJUKYDXJQ-LBPRGKRZSA-N 356.444 1.916 0 40 FDAB CC(=O)NCCOC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8316349 JQGOPPXEQMYYMI-UHFFFAOYSA-N 368.455 1.544 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCNc1ccccc1F 9421749 JVWRSJNCSUIAGR-UHFFFAOYSA-N 370.388 1.246 0 40 FDAB COCc1nc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cs1 72304836 FWGFZYRNWPHMTL-UHFFFAOYSA-N 365.459 1.342 0 40 FDAB CCc1ccc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)cc1 72402153 YFKBAKVQHGGKSI-UHFFFAOYSA-N 368.441 1.509 0 40 FDAB Cc1nn(CC(C)C)c(Cl)c1CN1CCC2(CC1)NC(=O)NC2=O 95468605 ZVHZDIPLVXNISJ-UHFFFAOYSA-N 353.854 1.675 0 40 FDAB COC(=O)C1=NO[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 95444041 FGLUWZHCKJZWHM-HNNXBMFYSA-N 351.834 1.776 0 40 FDAB O=C(NCc1nnc2ccccn12)[C@@H]1CCCN1C(=O)c1ccccn1 79313145 XXFYNNHTZTUGCS-AWEZNQCLSA-N 350.382 1.045 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1OC 75110545 GNROARBKBHXWQA-OLZOCXBDSA-N 354.472 1.916 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NC[C@H]1COCCO1 89662235 ZYUDREHDQMWENF-KBPBESRZSA-N 357.451 1.491 0 40 FDAB CC[C@H](C)NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 25044000 UMDSJYUIAMHEEG-AWEZNQCLSA-N 353.488 1.344 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)c(F)c1 547881078 AWZVJGUANFTVMF-GFCCVEGCSA-N 352.387 1.751 0 40 FDAB NS(=O)(=O)c1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1 31903444 SGXRCJSREZVOMW-NSHDSACASA-N 356.407 1.731 0 40 FDAB Cc1cc(S(=O)(=O)NCCCN(C)C)cc2c1N(C)C(=O)C2(C)C 71195962 GJJRQVQKJYLBOJ-UHFFFAOYSA-N 353.488 1.479 0 40 FDAB CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 120657519 DZKOVMOPBDNUFU-HNNXBMFYSA-N 367.515 1.866 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 31814100 KYKUIYWAQVIUIM-ILXRZTDVSA-N 353.422 1.798 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCO)c(OCC)c1 36624113 STUHEVQEBOUHMI-MRXNPFEDSA-N 364.398 1.647 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 32641356 NXKGBDVJGVVZIX-AAEUAGOBSA-N 373.858 1.460 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCCC1=CCCCC1 217589525 HBRDSIZDHSIQPJ-UHFFFAOYSA-N 368.455 1.958 0 40 FDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 47931738 ZGQKMZGNRRKJQB-HNNXBMFYSA-N 367.409 1.337 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 225407364 BIMHXRGOSVBSBY-ZDUSSCGKSA-N 366.418 1.524 0 40 FDAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 44196509 LXXDNOCTLHDRDQ-AWEZNQCLSA-N 353.488 1.397 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1cccc(OC)c1 97664752 MQTXTQPMBNEBFL-OVCLIPMQSA-N 350.396 1.614 0 40 FDAB CCc1ccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCOCC3)C2)cc1 96253234 WLSGBXJIFGIJDP-FGTMMUONSA-N 373.453 1.729 0 40 FDAB O=C(Cc1ccc(Br)cc1)N1CC(N2C(=O)CCC2=O)C1 238845262 IDVMUTXXBYLGRQ-UHFFFAOYSA-N 351.200 1.351 0 40 FDAB CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96116452 GKAFSDCRZWLIML-BBRMVZONSA-N 358.442 1.118 0 40 FDAB biogenic COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229822 GPQUNEGWTVMHMT-NXEZDXNNSA-N 354.362 1.661 0 40 FDAB CCn1cc(CN2CCC3(CC2)CN(S(C)(=O)=O)C[C@@H]3COC)cn1 249699631 WXRAISGPZFDIII-MRXNPFEDSA-N 370.519 1.023 0 40 FDAB CN(C)C(=O)CO[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1 247954615 COLZPCVSBRVNTC-OAHLLOKOSA-N 364.396 1.651 0 40 FDAB O=C1CCCN1CC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21 247852437 HSHAVKNYURNCKN-MRXNPFEDSA-N 374.466 1.641 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)C1 247749698 RQCNORRYIIJULM-XIMBFMGKSA-N 368.433 1.771 0 40 FDAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1ccccn1 247808115 CNYKBEQADTXTFD-SFHVURJKSA-N 355.442 1.520 0 40 FDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)c(F)c2)n1 604382621 VCPILXUBWMDADQ-OHDICMOHSA-N 363.408 1.753 0 40 FDAB biogenic,in-vitro Cn1c(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)nc2ccccc21 257220429 DKVBHYNPJIVUPF-GFCCVEGCSA-N 359.455 1.689 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257306188 STFNQYLXWPLPAJ-QWFCFKBJSA-N 372.469 1.027 0 40 FDAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Cl 585123867 IQWGAEWSEGPKDX-IAQYHMDHSA-N 364.837 1.601 0 40 FDAB Cc1ncncc1C(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257298395 RLLJAFUWYIFQOA-INIZCTEOSA-N 355.442 1.720 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccc(C(=O)O)cc3)ncn2)C1 257254504 KDIKAIKNXPRBTL-LBPRGKRZSA-N 361.423 1.666 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3c[nH]cn3)CC2)C[C@@H](O)C1(C)C 257278165 OBCUDSIZHZZHLM-OAHLLOKOSA-N 350.463 1.010 0 40 FDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@@H]21 257223388 DXDLPDSZMGKUHY-HYVNUMGLSA-N 354.458 1.516 0 40 FDAB O=C(O)C[C@@]1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCOC1 263113792 WPGKFCCLIDVTSS-HNNXBMFYSA-N 371.315 1.805 0 40 FDAB CCN1C[C@@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)CC1=O 273801464 VPUIZIXJLIWLSC-NSHDSACASA-N 350.400 1.444 0 40 FDAB O=S(=O)(NCCO)c1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)cc1 653512337 IZDKVXNAQNAFPQ-LJQANCHMSA-N 361.463 1.938 0 40 FDAB CNC(=O)c1ccc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cc1 1775957271 LNNIYXZUNPRAAO-CVEARBPZSA-N 355.442 1.546 0 40 FDAB Cn1cnnc1[C@H]1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 1776003591 ZSVMJCISFBDFNQ-LBPRGKRZSA-N 367.409 1.943 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(OC)CCSC2)cc1 96097746 CHGVLUKUEWQMEI-INIZCTEOSA-N 352.412 1.050 0 40 FDAB O=S(=O)(N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1)C(F)(F)F 575403222 GUGCJAXJYTYDMD-SECBINFHSA-N 370.324 1.683 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585288935 AWZCYOUISDUELA-LCCNJJIFSA-N 369.465 1.883 0 40 FDAB Cc1ccc(OCc2nnc3n2CCN(C(=O)C2CC(O)C2)[C@H]3C)cn1 585097651 PAYOBEUGEDJQLJ-HSBZDZAISA-N 357.414 1.235 0 40 FDAB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1 60066236 FQTHPAFEFRJLHJ-OAHLLOKOSA-N 352.456 1.785 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCN(CC(F)(F)F)c3ccccc32)c1 80786535 IDSUECWHUILNIG-UHFFFAOYSA-N 360.361 1.998 0 40 FDAB CO[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 630253075 VKDRAGUPOIYAOY-KXBFYZLASA-N 360.410 1.188 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496216 RTVJRJLMDQXMFP-GOEBONIOSA-N 373.501 1.423 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21 19746205 KGGVHAPBOOREDD-KRWDZBQOSA-N 374.466 1.595 0 40 FDAB O=S(=O)(CCc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575606807 MFDORYJLEVFHAY-SFHVURJKSA-N 352.500 1.649 0 40 FDAB CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@H]3CSCN32)c2ccccc21 33821666 WHZFXMKPVAUKLO-QBPKDAKJSA-N 369.446 1.962 0 40 FDAB O=C(c1ccc(NCCn2nc3ccccn3c2=O)cc1)N1CCCC1 25620458 GRVIIEZYAPHYAA-UHFFFAOYSA-N 351.410 1.844 0 40 FDAB CC(=O)N[C@H]1CC2(CCN(Cc3scnc3C)CC2)OC[C@]1(C)O 2037849779 IWJVRANLUHMOCE-HOTGVXAUSA-N 353.488 1.462 0 40 FDAB CCc1ccc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)cn1 1565545312 YZJYRFIPAYWYGL-UHFFFAOYSA-N 367.453 1.512 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)cn1 1565546890 GFUSWZYLVXABCB-RTBURBONSA-N 360.502 1.511 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(Cl)cc1 9827378 UUYJQJKTLBPOLT-UHFFFAOYSA-N 368.846 1.506 0 40 FDAB Cc1cc(CN2CCC[C@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)n[nH]1 2055771815 AYXJDMMBCPCBLS-HNNXBMFYSA-N 370.379 1.584 0 40 FDAB COc1cc([C@H]2[C@@H]3[C@H](C)N(C)C(=O)N(C)[C@@H]3N(C)C(=O)N2C)ccc1O 4029453 DBLJYIVEHBFBMD-BLQKSXIESA-N 362.430 1.767 0 40 FDAB biogenic CCCS(=O)(=O)N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 30138110 RXSISRTXOYKPTC-UHFFFAOYSA-N 366.439 1.356 0 40 FDAB CC[C@](C)(CNC(=O)c1cccnc1N1CCOCC1)N1CCOCC1 40117704 ZMKJHHPHHZQAAA-LJQANCHMSA-N 362.474 1.149 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2C1=O 40160542 CPJDGVGJJJSLQT-UHFFFAOYSA-N 365.389 1.580 0 40 FDAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3scnc3C)CC2)on1 51099730 ACKBGWCMOSGFRI-UHFFFAOYSA-N 363.443 1.581 0 40 FDAB CN(Cc1ccsc1)C(=O)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O 101404024 JAGKSGDESJIVFW-AWEZNQCLSA-N 360.439 1.058 0 40 FDAB Cc1nc(CN2CCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cs1 32889902 ARMGEYSHSDQNRZ-BBRMVZONSA-N 352.504 1.253 0 40 FDAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7423030 HVRYFXKNBOVSDO-UHFFFAOYSA-N 355.423 1.995 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCOc1ccc(OC)cc1 7985379 FDWIHENFBYHENX-GFCCVEGCSA-N 352.387 1.632 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102201817 OYSONYPLTCCTHY-YDMUCJKGSA-N 358.394 1.264 0 40 FDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC)cc2OC)n1 57316666 OLKYTRYNALITRM-UHFFFAOYSA-N 364.431 1.617 0 40 FDAB CCOc1cc(CNCCOC)cc(Br)c1OCC(N)=O 8253728 OVXIZTUDTLLPEP-UHFFFAOYSA-N 361.236 1.448 0 40 FDAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)c1 9926465 RGXRRUGBAPKTMG-AWEZNQCLSA-N 364.365 1.871 0 40 FDAB O=C(C[C@@H](CN1CCN(c2ccccn2)CC1)C(=O)O)NC1CCCCC1 61721409 IIHVQOGQSGMWJV-INIZCTEOSA-N 374.485 1.743 0 40 FDAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)Cc2cnn(C)c2)c1 24481998 XYLBSDBWHBVNGP-UHFFFAOYSA-N 356.455 1.934 0 40 FDAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 24988427 XJSIZXIEUZPYCA-ZHACJKMWSA-N 352.437 1.888 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCCC[C@H]2CNS(C)(=O)=O)cs1 76176530 RJUFNVYIFJUXSD-AWEZNQCLSA-N 374.532 1.420 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1sccc1-n1cnnn1 106860387 BPJVWQUSLTUVDH-GRYCIOLGSA-N 363.443 1.822 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 25738972 PFNAUNOIOHKRFS-UHFFFAOYSA-N 373.478 1.918 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O 57525637 BBHFCDWFOYYAAY-UHFFFAOYSA-N 351.406 1.449 0 40 FDAB CCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12601465 SXFMDODQKPEXOH-UHFFFAOYSA-N 352.460 1.282 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1 58184563 HNQMQDMMMGINPL-UHFFFAOYSA-N 373.390 1.546 0 40 FDAB Cc1ccc(NC(=O)CCNC(=O)CCn2c(=O)oc3ccccc32)nc1 58201871 GROPFPZSPSXWEZ-UHFFFAOYSA-N 368.393 1.833 0 40 FDAB CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 3357838 BOHBNSHPORNBPP-OAHLLOKOSA-N 350.415 1.851 0 40 FDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2ccccc12 12777781 YWWJNHKFFHUSTA-QGZVFWFLSA-N 360.479 1.965 0 40 FDAB COc1ccccc1C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 58982841 LHOAYBDZNYTQTA-HNNXBMFYSA-N 352.456 1.264 0 40 FDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccsc1 48362326 MIFAOHYYZIISOD-BPLDGKMQSA-N 356.513 1.919 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2cnccn2)CC1 11543500 ANGYWCQHVSXAOE-UHFFFAOYSA-N 360.439 1.151 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 3901556 SHKYBLIFFGZZFI-OPQQBVKSSA-N 364.345 1.341 0 40 FDAB CCCc1n[nH]c(SCC(=O)N([C@@H](C)CC)[C@H]2CCS(=O)(=O)C2)n1 14083221 NLTLUIWVZCXWOB-RYUDHWBXSA-N 374.532 1.664 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC(c2ccccc2)=N1 9049559 DQBWZVYRKYTVFU-UHFFFAOYSA-N 368.393 1.356 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 14141843 NIEFCTCQEZYXCD-FEAKQIBJSA-N 357.454 1.579 0 40 FDAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 5537161 JAJWZPNEVNPFOI-LLVKDONJSA-N 372.377 1.987 0 40 FDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccsc2)CC(O)=N3)CC1 61717943 ZYSKZDVFRGEAOY-LLVKDONJSA-N 373.438 1.657 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)cc2O)CC1 7199610 UDVVTHGEDTWGNG-UHFFFAOYSA-N 370.789 1.503 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2O1 7253238 UAXNGYPAXPUXIM-GOSISDBHSA-N 367.405 1.841 0 40 FDAB Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)C2 67727077 QJCCNFLHZFDEHH-CYBMUJFWSA-N 369.425 1.315 0 40 FDAB O=C(O)c1ccc(N2C(=O)C[C@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 9372388 OOSYEZHBDCYEDQ-AWEZNQCLSA-N 354.318 1.827 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 408618642 KVZXBWFCKOUXRW-JTQLQIEISA-N 368.377 1.623 0 40 FDAB CCCN(C(=O)CSc1nnc2ccccn12)[C@H]1CCS(=O)(=O)C1 7814425 OSOMRCQNFSPACP-LBPRGKRZSA-N 368.484 1.247 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 8097238 YHJLDXJCMKYXBV-VXGBXAGGSA-N 367.471 1.042 0 40 FDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCCC[C@@H]2C(N)=O)c1 8040138 JBMUSRWXVDVLGP-CYBMUJFWSA-N 374.470 1.238 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)OCO3)C1=O 8158233 XEDOZZXBEXEOGS-LJQANCHMSA-N 367.361 1.917 0 40 FDAB NC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 16807364 SSSSULMKQMAVNL-IBGZPJMESA-N 351.362 1.515 0 40 FDAB C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O 113957842 FJKWXNTXOMQNCM-GFCCVEGCSA-N 357.451 1.191 0 40 FDAB CCOC(=O)c1sc2ncn(C[C@H](O)COC(C)C)c(=O)c2c1C 84795610 BNNYPUGIDGTKDX-NSHDSACASA-N 354.428 1.729 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(CC(F)(F)F)[C@H](C)C1 95447678 HVGHSXCNHUHBOM-NEPJUHHUSA-N 372.391 1.681 0 40 FDAB O=C(c1ccccc1F)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95999044 MNGSSOSZGLPEBG-ZDUSSCGKSA-N 356.419 1.092 0 40 FDAB Cc1ccccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998970 FHVMICUVLRVIPT-HNNXBMFYSA-N 352.456 1.262 0 40 FDAB Cc1cc(=O)n(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 75092032 KPSJBXRXJDIATK-KPZWWZAWSA-N 360.414 1.133 0 40 FDAB Cc1noc(C)c1CSCC(=O)NCC1(O)CCC2(CC1)OCCO2 75093008 PUBLRFVPGOIGSP-UHFFFAOYSA-N 370.471 1.689 0 40 FDAB Cc1ccccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 306128672 HHXOUIQYZGZSRP-ZHALLVOQSA-N 352.438 1.662 0 40 FDAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1 408593882 QKVGVMSEGMBZKI-ZDUSSCGKSA-N 358.460 1.295 0 40 FDAB Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)O 72328145 LKOZQEJAFBNPLC-UHFFFAOYSA-N 358.782 1.966 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1OC 224736630 DJWXDHQNIGAEPP-UHFFFAOYSA-N 365.411 1.358 0 40 FDAB O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)NCC2CC2)c1 47699388 ISYVXDNPAGVTQV-UHFFFAOYSA-N 362.455 1.392 0 40 FDAB O=C(O)C1=CN(Cc2ccccc2F)S(=O)(=O)N=C1C(F)(F)F 96516566 FBRKCRVMWUIWIU-UHFFFAOYSA-N 352.265 1.858 0 40 FDAB CC(=O)NCC(=O)N[C@@H]1CC2(CCN(CCN(C)C)CC2)c2ccccc21 96078993 YPSHJVXZMLZQFG-LJQANCHMSA-N 372.513 1.279 0 40 FDAB CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3ccccc3O2)C1 332522649 MYOAAEQIUUPHEQ-GOEBONIOSA-N 352.456 1.263 0 40 FDAB CC(C)CN1C[C@@H]2[C@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O 96251952 QSFFFHNHPSKBET-LSDHHAIUSA-N 350.488 1.429 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(CC(C)C)C3)C2)c1 604382658 XRQRHPFROUASDS-GOSISDBHSA-N 373.497 1.562 0 40 FDAB biogenic,in-vitro CC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)C2CCOCC2)CC[C@@]1(C)O 604382411 RDTYMMJLCDVVDO-CMKODMSKSA-N 360.454 1.642 0 40 FDAB biogenic,in-vitro CN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1ccoc1 618446167 AOYBLZGWZSCQSX-INIZCTEOSA-N 354.472 1.670 0 40 FDAB C[C@@H]1CN(c2nc(=N)[nH]c(=N)[nH]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 624240594 NRDCZSMMKXTENX-KCJUWKMLSA-N 354.336 1.682 0 40 FDAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 635015871 SNXLYQIDWTXHDZ-CQSZACIVSA-N 354.353 1.909 0 40 FDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@](O)(C(F)(F)F)CC1 672236469 AURHXWIKQMQEME-INIZCTEOSA-N 372.391 1.999 0 40 FDAB CC(C)(C)OC(=O)NC(=N)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1775975557 CVFXHDZBHYVAMJ-UHFFFAOYSA-N 374.397 1.638 0 40 FDAB CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)C(=O)c1cc2ccccc2n1C 1775958290 PCECEJCIGWFTPJ-QWHCGFSZSA-N 356.405 1.941 0 40 FDAB COC(=O)COc1ccc(NC(=O)N[C@@H]2CCOC[C@@H]2O)cc1Cl 599765424 KJHWYDPFKTTWAC-NEPJUHHUSA-N 358.778 1.163 0 40 FDAB Cn1cccc(C(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)c1=O 96121711 HVDAESBWSKYQCM-UHFFFAOYSA-N 363.421 1.951 0 40 FDAB O=C(NCc1ccnc(N2CCCC2=O)c1)[C@H]1COc2ccccc2O1 575609251 SJIMOXZDMLQVBN-MRXNPFEDSA-N 353.378 1.665 0 40 FDAB COc1cc(N2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)ncn1 585095282 NFACUQAOCGKUMZ-OAHLLOKOSA-N 373.457 1.418 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(C(=O)c1cncc(C)c1)CC2 585098286 SZVAIWLZFWEXHQ-AWEZNQCLSA-N 371.441 1.109 0 40 FDAB Cc1ccc(-c2nnc(N)n2C(=O)c2ccc(CS(C)(=O)=O)o2)cc1 685944093 JWZGYYIPMNECJX-UHFFFAOYSA-N 360.395 1.662 0 40 FDAB Cc1cccc(OCCC(=O)N[C@@H](CC(C)C)C(=O)NCCO)c1C 89688764 ZXLGXLQNZQDWNJ-INIZCTEOSA-N 350.459 1.712 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCCOC2CCCC2)[C@H]1c1nccn1CC 1615553874 UVQRLLLTMWGZAR-RDJZCZTQSA-N 362.474 1.888 0 40 FDAB CN(C)C1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595944 UQBYYOSVJXMCSC-AOIWGVFYSA-N 361.461 1.990 0 40 FDAB O=C(Cc1cccnc1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142400 AFAPQLAKNDDYTJ-UHFFFAOYSA-N 372.450 1.347 0 40 FDAB CCn1ncc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c1C 12181511 NLHYDKSJWIEGLD-UHFFFAOYSA-N 356.430 1.093 0 40 FDAB COc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc(OC)c1OC 16769987 ZTYKHZJATULJFY-WDZFZDKYSA-N 353.352 1.833 0 40 FDAB Cc1cccn2cc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)nc12 19719205 VMKDQKDQQYPUME-GOSISDBHSA-N 365.437 1.841 0 40 FDAB O=C(CN1CCOC1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225723795 MBIZEACODOYTEP-UHFFFAOYSA-N 373.335 1.033 0 40 FDAB Cc1nc2ncnn2c(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1C 1888890508 UAWISJOIRCWMCJ-GJZGRUSLSA-N 362.393 1.367 0 40 FDAB CCN=c1nc(N2CCN(c3nc(C)nc4cnccc34)CC2)cc(C)[nH]1 1889184583 HHLWIPVIALUKOU-UHFFFAOYSA-N 364.457 1.612 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359944 GUUVMTQHBUCASD-ZBFHGGJFSA-N 367.405 1.931 0 40 FDAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4303877 WMQVUFQHFHOUOZ-GFCCVEGCSA-N 365.393 1.597 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccnc1 9341939 ROGQEZDXUUHZDK-HNNXBMFYSA-N 370.331 1.955 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 2055812392 FDBVUCLMPBOJHG-JXXFODFXSA-N 373.501 1.496 0 40 FDAB CC[C@H](C)NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409290 PSRYJOJGYCSVOE-AWEZNQCLSA-N 369.487 1.328 0 40 FDAB O=C(NCCn1c(O)nc2ncccc2c1=O)c1ccc(F)c(Cl)c1 575610007 JTZIEOJNMCXWIZ-UHFFFAOYSA-N 362.748 1.720 0 40 FDAB Cc1cc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc(C)n1 2298210834 SWDGIYUJDIIVQY-UHFFFAOYSA-N 350.430 1.611 0 40 FDAB Cn1cnnc1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 40087116 VYVBBNZRUIOMFT-UHFFFAOYSA-N 354.366 1.105 0 40 FDAB Cn1cc(-c2nc(C(=O)Nc3ccc(-n4cncn4)nc3)cs2)cn1 40144508 ZRAXQKHOSJVQRE-UHFFFAOYSA-N 352.383 1.772 0 40 FDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)c(Cl)c2)C1 40266420 FARILAWDJUKOPQ-UHFFFAOYSA-N 350.806 1.783 0 40 FDAB CONC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 30867377 HOKCPOSPLJUCHI-UHFFFAOYSA-N 352.437 1.786 0 40 FDAB COCc1nn2c(ncc3c(=O)n(CCO)ccc32)c1-c1ccc(F)cc1 40397064 QXOIZQGPQOLOTB-UHFFFAOYSA-N 368.368 1.989 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c1 32087047 JZUOVDABWBPOSH-UHFFFAOYSA-N 352.343 1.512 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 52051082 OXDNRZVHSPILGD-UHFFFAOYSA-N 364.471 1.380 0 40 FDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)no1 46155089 YRAXZPZQRPEBAP-WFASDCNBSA-N 364.423 1.926 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC(N2CCCCC2)CC1 2951985 BPXKWTMNNKXHGP-UHFFFAOYSA-N 370.453 1.167 0 40 FDAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)/N=c1/sccn1C)C2=O 102450794 PQPIEMSZVFXYAJ-OACIXTHLSA-N 364.471 1.651 0 40 FDAB CCSC(SCC)[C@H](NC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](O)CO 4963063 CPZZZXVMPRHIAW-NDBYEHHHSA-N 367.533 1.197 0 40 FDAB O=C(CNC(=O)c1ccco1)NCC(=O)Nc1cccc2c1CCCC2 32906189 WGGZCEVPKPTVKF-UHFFFAOYSA-N 355.394 1.643 0 40 FDAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1O 6958387 QVVMSKUNHHCVEV-BAQGIRSFSA-N 354.160 1.655 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c1 7251238 BIFWLMUGOYDTEX-UHFFFAOYSA-N 367.365 1.775 0 40 FDAB Cc1cc(C)n(Cc2cccc(CNC(=O)C3=NN(C)C(=O)CC3)c2)n1 54031634 PFCIPAIPLMHXEC-UHFFFAOYSA-N 353.426 1.773 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CSc1ccc(F)cc1 24676186 UMNFYHRSFTURTF-ZDUSSCGKSA-N 360.476 1.848 0 40 FDAB CC(C)CCNC(=O)C1CCN(C(=O)CNC(=O)c2ccsc2)CC1 55288223 MXXIOGLNURHFQG-UHFFFAOYSA-N 365.499 1.879 0 40 FDAB CCc1nc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cs1 24945005 YNZBUJRVLXECPA-UHFFFAOYSA-N 370.500 1.817 0 40 FDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3cccnc3)s2)cc1 1405814 DHOPBSICQWSDJY-MNDPQUGUSA-N 355.379 1.177 0 40 FDAB O=C(Nc1cn[nH]c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 57029193 BYQPJWDWIOODSG-UHFFFAOYSA-N 353.379 1.087 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Cc2ccnc(N3CCCC3)n2)C1 100174886 HJUIMUALIMZNET-HZPDHXFCSA-N 351.454 1.858 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850970 FBJSMOXXCHLLIN-AZULQSKBSA-N 368.389 1.803 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1 58157647 NBGJDKMEAODCMO-UHFFFAOYSA-N 358.383 1.422 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCNC4=O)CC3)CC2=O)cc1 58218782 IBUKOUCBRQMZGC-OAHLLOKOSA-N 370.453 1.364 0 40 FDAB Cc1c(NC(=O)N[C@H]2CCc3ncnn3C2)c(=O)n(-c2ccccc2)n1C 97002461 KANZCMUIJFWAMF-ZDUSSCGKSA-N 367.413 1.212 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C)CC2)c1 10848563 UPGNDLIJIDBZDR-UHFFFAOYSA-N 362.455 1.184 0 40 FDAB C[C@H]1CCCC[C@H]1OCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 58702888 RVFOMDQDZRPKLS-XJKSGUPXSA-N 360.410 1.828 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O 12896716 VPRXGOTWIFSKGI-QGZVFWFLSA-N 371.422 1.821 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3437138 HGSDYBGAESEEPS-UHFFFAOYSA-N 357.318 1.997 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CCN1C(=O)c3ccccc3C1=O)C2=O 3572838 PHWQWLGLUMMUQP-BLVKFPJESA-N 355.394 1.783 0 40 FDAB Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(=S)s1 13070808 RUWBJAJUPMJWDH-UHFFFAOYSA-N 370.525 1.947 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 13120406 MWIKSMPZFPIGKT-SECBINFHSA-N 355.803 1.353 0 40 FDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc2c(c1)OCO2 17113033 ZNXPLOIHYLZNPX-UHFFFAOYSA-N 368.349 1.522 0 40 FDAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 4249424 BUBWWOBDMOFBJK-LLVKDONJSA-N 355.398 1.230 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)NCc2nnc3ccccn23)cc1 6654181 OXYGSOHYWOIDBN-UHFFFAOYSA-N 358.423 1.518 0 40 FDAB COc1ccc(CN(C(=O)COC(=O)c2c(C)noc2N)C2CC2)cc1 14676380 WDNAUAFYEMLJCW-UHFFFAOYSA-N 359.382 1.922 0 40 FDAB CCCN(C(=O)CSCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 66276100 HQOFNRHYDOCDNV-CYBMUJFWSA-N 360.501 1.950 0 40 FDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC[C@H]1COc2ccccc2O1 4957498 BUSRERQMUUEPAI-AWEZNQCLSA-N 369.356 1.435 0 40 FDAB COCc1cc(=O)n(CC(=O)N(C)C2CCCCC2)c(N2CCCC2)n1 67256927 LZMDTELOUUDEHM-UHFFFAOYSA-N 362.474 1.781 0 40 FDAB C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 15328652 ZDSUWUQUASLZNL-LBPRGKRZSA-N 354.453 1.416 0 40 FDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCOc2ccc(F)cc21 68165909 USADDLBMEALBJY-CQSZACIVSA-N 356.357 1.653 0 40 FDAB CC[C@@H](C)n1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 16611287 KKMQIOYPICZRAF-QLJPJBMISA-N 354.410 1.930 0 40 FDAB biogenic O=C(NCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9449734 ACQMASNYSOPYHZ-UHFFFAOYSA-N 373.478 1.945 0 40 FDAB CC(C)C[C@@H](C)OCCC(=O)NCCCn1nc2n(c1=O)CCCC2 87133380 WRJQTTCPKVBDDG-OAHLLOKOSA-N 352.479 1.729 0 40 FDAB COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1cncnc1OC 95461361 CGUICPUMZABFRB-UHFFFAOYSA-N 350.762 1.402 0 40 FDAB O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccccc1Br 95967035 TYIXQUHPWNALBV-SECBINFHSA-N 368.274 1.305 0 40 FDAB CC[C@H](CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)Oc1cccc(F)c1 95992620 DAFSWLCHITYUFZ-TZMCWYRMSA-N 372.418 1.338 0 40 FDAB O=C1CN(C(=O)CCC(=O)NN2Cc3ccccc3C2)c2ccccc2N1 89865455 UAOXPSAGPXQZLX-UHFFFAOYSA-N 364.405 1.799 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cccn3)o2)cc1 27981466 HYRFKYLNNLTNJP-UHFFFAOYSA-N 360.395 1.102 0 40 FDAB O=C([C@@H]1CSCN1C(=O)c1cc(-c2ccco2)[nH]n1)N1CCOCC1 25046970 QRBMXVYHUAOZAJ-ZDUSSCGKSA-N 362.411 1.044 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 72346597 VSEZDCVWCRRUNX-BMQTXXJKSA-N 367.449 1.590 0 40 FDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(c2ncnc3ccccc23)CC1 72447700 HUGZJVZJDFQQAX-UHFFFAOYSA-N 359.393 1.864 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 73742962 PXGPEFAIBSIUOU-CYBMUJFWSA-N 354.248 1.988 0 40 FDAB Cc1cc(CN(C)C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)n[nH]1 72344584 BDQWTUKYBSJAKC-UHFFFAOYSA-N 371.441 1.211 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCn3cccnc3=O)CC2=O)cc1C 675007941 GFWSLUOJFNUNGS-OAHLLOKOSA-N 354.410 1.029 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218123007 ZNPNBRPOGYECEM-YESZJQIVSA-N 367.854 1.978 0 40 FDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(C)=O)CC1 32980216 PLXZYFJVGFVQRG-MRXNPFEDSA-N 363.483 1.229 0 40 FDAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCC([C@H]2CCNC2)CC1 565362645 KAINNJJAAXIEKN-RBUKOAKNSA-N 366.527 1.895 0 40 FDAB CCCCc1c(C)nc2nc(SCC(=O)N3CCNC3=O)nn2c1C 48355382 PVWZTPCEWLTWDD-UHFFFAOYSA-N 362.459 1.728 0 40 FDAB CC(C)Cc1nnc(NC(=O)CCn2cnc3c(cnn3C)c2=O)s1 40032309 DJOMPUSZNPTLQF-UHFFFAOYSA-N 361.431 1.209 0 40 FDAB Cc1nc([C@H]2CN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)CCO2)no1 332894768 TZXPDNXZKLJMES-ZIAGYGMSSA-N 358.402 1.135 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)COCc2ccccc2)[C@@H]1c1cncn1C 583619207 SQFSSJCFSQJQRM-DNVCBOLYSA-N 356.426 1.415 0 40 FDAB CCCc1nnc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)s1 96191980 WDOVTKMBLCNBAY-UHFFFAOYSA-N 373.442 1.774 0 40 FDAB Cc1ncsc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257233207 GOGDUGWWUYYDIU-INIZCTEOSA-N 350.419 1.747 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1C 257334226 YFBXNHCFUUMFBP-AEFFLSMTSA-N 362.470 1.666 0 40 FDAB CN(C)Cc1ccc(NC(=O)c2cn(CCN)nn2)cc1Br 659313940 DYZNCXCHAQTVTA-UHFFFAOYSA-N 367.251 1.313 0 40 FDAB Cc1nc(CNC(=O)C2CCN(c3cnccn3)CC2)sc1C(=O)O 679398973 MFSCDZGUHSTUCW-UHFFFAOYSA-N 361.427 1.473 0 40 FDAB Cn1cnnc1[C@H]1CCCN(c2cc(Br)cnc2C(N)=O)C1 680330843 SXHOGYXRRDBSGV-VIFPVBQESA-N 365.235 1.456 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1cccc(OC)c1 643879281 OFETXIFQNQILCT-GOSISDBHSA-N 350.415 1.219 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(OC)c(C)c1C 643972736 YOMRXWNADJWUBD-MRXNPFEDSA-N 357.428 1.566 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3nccc3C)cc2)C1 644032986 IEQMBQPDMYDZQZ-IBGZPJMESA-N 356.426 1.284 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 575405391 SCIQMYLYVFAAMU-OAHLLOKOSA-N 371.422 1.498 0 40 FDAB Cc1c(CN2CC3(C[C@@H](COCc4ccncc4)CN3C)C2)cnn1C 585093896 NWWQDTZDXSDPSG-GOSISDBHSA-N 355.486 1.846 0 40 FDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCCc1ccncc1 585095853 PHJNCASAGIGLFX-SFHVURJKSA-N 367.453 1.711 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC 55036998 ADNYRPASIRNTFT-NEPJUHHUSA-N 352.456 1.985 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCCN([C@@H]2CCOC2)CC1 1565522017 APGOKQXQFJATMN-GFCCVEGCSA-N 368.484 1.177 0 40 FDAB COc1ccccc1C1(CNS(=O)(=O)c2cn(C)cn2)CCOCC1 75940915 LZASDQLDOUPEDS-UHFFFAOYSA-N 365.455 1.455 0 40 FDAB Cn1cnnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 13004737 CPFCGQYYKOMIIA-UHFFFAOYSA-N 353.492 1.059 0 40 FDAB COc1ccc(CCC(=O)N2CC[C@@H]3CN(C)C[C@]3(NC(C)=O)C2)cc1 19713650 FHKMPXRYJOLSLT-XLIONFOSSA-N 359.470 1.297 0 40 FDAB O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CCCOCC2)c1 19749489 QDRROUOIORCIIP-UHFFFAOYSA-N 360.389 1.452 0 40 FDAB COc1ccc(OC)c(-n2nnc(C(=O)NCc3ccccc3)c2N)c1 19814235 GVIREWVCHPNBAM-UHFFFAOYSA-N 353.382 1.797 0 40 FDAB CCN(c1ccc(OCC(=O)NCc2ccncc2)cc1)S(C)(=O)=O 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O=C1C[C@@H](CNS(=O)(=O)c2ccccc2)CN1c1ccc2c(c1)OCO2 9037277 WQOXJKZCRNUYFY-ZDUSSCGKSA-N 374.418 1.747 0 40 FDAB CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1 30117658 PKZXAUMFVIUCKR-UHFFFAOYSA-N 360.439 1.841 0 40 FDAB COC(=O)c1cn(-c2nc(C)n[nH]2)cc2c(=O)n(-c3ccccc3)nc1-2 101717961 HQJVMDITOPXPID-UHFFFAOYSA-N 350.338 1.341 0 40 FDAB CCCNC(=O)CN(C)C(=O)CN(C)CC(=O)Nc1cccc(Cl)c1 29862541 LIVGMAUHEFYKJJ-UHFFFAOYSA-N 368.865 1.195 0 40 FDAB CC(C)n1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 794777 LFBYOTCMYQWJSF-UHFFFAOYSA-N 358.354 1.536 0 40 FDAB CN(C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O)C1CCCCC1 1344740 TYNORRDNWFQVSY-UHFFFAOYSA-N 366.425 1.768 0 40 FDAB COc1ccc(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O 2243073 AEQXCNSBJJHGGE-UHFFFAOYSA-N 352.387 1.586 0 40 FDAB CN(C(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)C1CCCCC1 32801490 HABXRVLQWVSYQT-RUZDIDTESA-N 361.471 1.702 0 40 FDAB NC(=O)[C@@H]1CCCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 32850790 WTUVVZWKIFFIDF-LBPRGKRZSA-N 374.466 1.203 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OC(C)C)=C(N)Oc1ccccc12 4517119 VAOPQUPRJYBKRV-LJQANCHMSA-N 372.377 1.016 0 40 FDAB CN1C(=O)[C@H]2C(=NN[C@H]2c2c(O)c3ccccc3n(C)c2=O)c2ccccc21 100361606 SKVUSAKIFXNQAN-MAUKXSAKSA-N 374.400 1.885 0 40 FDAB Cc1ccc2nc3sc(C(=O)NCCN4CCOCC4)cc3c(=O)n2c1 17122431 LXWWIJYIEBBJKN-UHFFFAOYSA-N 372.450 1.280 0 40 FDAB O=c1c2ccsc2ncn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 46861453 FHCCJFLNAMXROA-UHFFFAOYSA-N 365.436 1.884 0 40 FDAB O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@H]12)c1cccc(F)c1 8296574 ISSOJTJNPPVBOV-HOTGVXAUSA-N 353.353 1.791 0 40 FDAB biogenic,in-vitro O=C(NC1CC1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 12407289 LKYYFKOCYNAUNE-HNNXBMFYSA-N 355.438 1.557 0 40 FDAB O=CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12409511 HWXZZRRUZCGHGC-AWEZNQCLSA-N 366.215 1.830 0 40 FDAB O=C1C[C@H](C(=O)c2ccccc2)NC(N2CCN(c3ccccc3)CC2)=N1 9936867 FXHCZHFQEADORC-GOSISDBHSA-N 362.433 1.936 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCC1 57728001 RDUCOOYDNMTPBD-UHFFFAOYSA-N 368.455 1.389 0 40 FDAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CCS(=O)(=O)C1 54314077 KKXQBVKOFULOKU-ZDUSSCGKSA-N 371.886 1.939 0 40 FDAB Cc1ccc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)n1C 23575861 FKWXXLFQSZLGBX-UHFFFAOYSA-N 366.421 1.899 0 40 FDAB CCOCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20449215 FMSPWLXDBUTIEG-ZDUSSCGKSA-N 354.472 1.944 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1 12655246 RSABDNJQXJZLTL-UHFFFAOYSA-N 358.379 1.219 0 40 FDAB CCCCNC(=O)CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 58348772 LGKDHEMFORRKGH-UHFFFAOYSA-N 371.279 1.451 0 40 FDAB NC(=O)C1(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 57169821 LXGKKQHNWHQFGT-KRWDZBQOSA-N 359.470 1.297 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)CC1 44392431 ZZUWUZYNCICZFB-CYBMUJFWSA-N 372.400 1.301 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(F)cc1 20245176 RNJAQTVZKNAXBT-UHFFFAOYSA-N 366.418 1.150 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NCCc3ccc4c(c3)OCO4)cnc12 24074501 KINURXPWMLHTMF-UHFFFAOYSA-N 365.389 1.793 0 40 FDAB CCOC(=O)N(C)CC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58229383 NMZMJAMDWHTKOA-MRXNPFEDSA-N 367.421 1.404 0 40 FDAB CCOc1cc(CNCCNC[C@H](C)O)cc(Br)c1OC 22076084 UYYQUEZDINDIEH-NSHDSACASA-N 361.280 1.916 0 40 FDAB COc1ccc(-c2noc(Cn3nnn(-c4cccs4)c3=O)n2)cc1 10815092 XIJNDDSUDAPGEO-UHFFFAOYSA-N 356.367 1.597 0 40 FDAB C[C@H](Cn1cccn1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619443 MPBUSCHREORORI-GFCCVEGCSA-N 365.372 1.945 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1 25102703 SEMJWBOACJNLDZ-MRXNPFEDSA-N 364.442 1.909 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-n2cnnn2)c1 3451033 ZUERJZFFTHJMKI-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB CCNC(=O)c1cccc(NC(=O)Cn2cnc3ccsc3c2=O)c1 12947141 DUDSWODKZKRAOK-UHFFFAOYSA-N 356.407 1.846 0 40 FDAB CC(=O)Nc1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 13692392 BAQMJSUUZYLKOQ-SNVBAGLBSA-N 353.425 1.172 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 5068707 XHCAJMOHXPDZHW-ONGXEEELSA-N 350.718 1.114 0 40 FDAB CCCNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6110441 FOUPEYDULGVAEI-SNVBAGLBSA-N 362.455 1.819 0 40 FDAB Cc1ccccc1OCn1ccc(C(=O)NCCCN2CCOCC2)n1 27972280 CGGQGHHDBQWOAP-UHFFFAOYSA-N 358.442 1.680 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2 5292682 GKEDXVYRAMTCRL-GFCCVEGCSA-N 373.409 1.847 0 40 FDAB CCCC(=O)N1C[C@H]2[C@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306142318 WVWYBFZBMCVFSB-KBPBESRZSA-N 366.487 1.310 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)c2ccccc2C1=O 14015364 RWOCXJGSBOADQK-UHFFFAOYSA-N 366.373 1.712 0 40 FDAB CCN(C(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1)[C@@H]1CCS(=O)(=O)C1 14240849 ULZZAZWXGZYLRM-ZIAGYGMSSA-N 371.528 1.918 0 40 FDAB CCN1C(=O)[C@@H]2C(C(=O)C(c3ccccc3)c3ccccc3)=NN[C@H]2C1=O 6891436 AFOPYWLIUQVUQP-SJLPKXTDSA-N 361.401 1.720 0 40 FDAB COC(=O)c1cc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2CC(C)C 6940963 TYLPTBMSJNUPAT-UHFFFAOYSA-N 357.366 1.798 0 40 FDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 8919266 DVJIWVZVCHQWAX-IBGZPJMESA-N 355.369 1.909 0 40 FDAB COc1ccc(OC[C@H](O)CN2CCN(CCc3ccccn3)CC2)cc1 71280348 UNXMAENQIHGEIK-LJQANCHMSA-N 371.481 1.690 0 40 FDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1F 69343101 OSAZFYMQSCWNAC-ZYHUDNBSSA-N 363.382 1.744 0 40 FDAB COC(=O)C[C@H](C)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 72309408 SEYMJNFBJBLOOX-LBPRGKRZSA-N 364.471 1.134 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3ccccc3n2)c1C 9313538 LYQDPWJVMYLFFK-UHFFFAOYSA-N 355.350 1.783 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2cc3c(cc2O)CCCC3)C1 84752975 YUHBKOMPKCLBTF-MRXNPFEDSA-N 374.437 1.555 0 40 FDAB O=C(c1cnccn1)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95959878 SGUUQZLSHHABDT-GOSISDBHSA-N 365.437 1.430 0 40 FDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)N[C@@H]1CCS(=O)(=O)c2ccccc21 89857871 CKPJJXWNICSEBJ-RYRKJORJSA-N 372.446 1.863 0 40 FDAB NC(=O)c1ccccc1NCC(=O)NCc1cccc(NC(=O)C2CC2)c1 21391744 UCXPNKHMTVSTPA-UHFFFAOYSA-N 366.421 1.862 0 40 FDAB Cc1ccc(CNC(=O)Cn2nc3n(c2=O)C(=O)N(c2ccccc2)C3)o1 1547201303 YIDRIFDTGVPNNF-UHFFFAOYSA-N 367.365 1.251 0 40 FDAB CCCCOC(=O)N1C[C@@H](C)N(C[C@H](O)CN2CCOCC2)C[C@@H]1C 31647519 JARLNTUMYBPHBL-IXDOHACOSA-N 357.495 1.011 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@H](CC(=O)NCc3ccccn3)C2)cn1 306135195 OKKLUVVMLGAKRX-GOSISDBHSA-N 365.441 1.275 0 40 FDAB Cc1ccc(C)c(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)c1 32508639 IPMYUXHNRNMXQE-ZIAGYGMSSA-N 367.496 1.442 0 40 FDAB CC(=O)NCc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 30031930 OILUNAOTNNRLEC-UHFFFAOYSA-N 370.434 1.893 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[S@](C)=O)cc2)CC1 181618577 CMLPHDGZNBBFPO-OWJWWREXSA-N 351.516 1.714 0 40 FDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217510072 ZDNKJINANAADQS-LBPRGKRZSA-N 374.459 1.537 0 40 FDAB O=S(=O)(c1ccccc1OCc1noc(C2CC2)n1)N1CC(CO)C1 521397065 XDRRNSDZIXDKLS-UHFFFAOYSA-N 365.411 1.139 0 40 FDAB COc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1OC 224176478 NLYDVRFYWCUBFC-UHFFFAOYSA-N 372.425 1.569 0 40 FDAB CNC(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053296 UNKNTFFNVJDJGC-ZDUSSCGKSA-N 352.456 1.483 0 40 FDAB O=C(N[C@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)c1cccnc1 96218401 WOETXFVQSVKVEG-AZUAARDMSA-N 359.470 1.862 0 40 FDAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(C)CC2)CO3)n1 96220829 KSOHMHJRXVWUNI-QGZVFWFLSA-N 358.486 1.401 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96078205 DGRLQZCOFVMEJE-UHFFFAOYSA-N 353.488 1.346 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21)c1cnccn1 247349643 BZMOOWRKPNIROI-IIDMSEBBSA-N 356.401 1.493 0 40 FDAB Nc1nccnc1C[C@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 257226353 FKIKRLIYMFMDRW-OAHLLOKOSA-N 353.474 1.904 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)CCC(C)C)CC2)CC1 257320864 VYXQQEOQEMTLTG-HXUWFJFHSA-N 367.534 1.767 0 40 FDAB Cc1c(NC(=O)[C@@]2(C)CCN(C)C2=O)cccc1N1C(=O)N[C@@H](C)C1=O 635932697 AAHXQJHMVBBARN-BBATYDOGSA-N 358.398 1.247 0 40 FDAB Cc1noc(COC2CN(C(=O)Nc3cccc(N4CCOCC4)c3)C2)n1 644322172 UDEOOORJVDIMIT-UHFFFAOYSA-N 373.413 1.648 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCCc1cccc(C(F)(F)F)n1 644486532 CAEICXULWLXRHN-LBPRGKRZSA-N 359.348 1.133 0 40 FDAB 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CCn1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n(CC)c1=O 20611132 ULHVYIOHFCAFRF-INIZCTEOSA-N 354.410 1.472 0 40 FDAB biogenic CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)O)c(OC)c1 2571694 VPHJPSWLQFLNSJ-HNNXBMFYSA-N 364.354 1.350 0 40 FDAB CCn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)n1 2780503 RUYSFTLJOMXVPO-UHFFFAOYSA-N 370.335 1.733 0 40 FDAB COc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)c(OC)c1 6679925 SEVQMBMIANDKIY-UHFFFAOYSA-N 356.425 1.973 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102201807 OYSONYPLTCCTHY-VLVIQNCWSA-N 358.394 1.264 0 40 FDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 8510935 AGJOYDIEQKPINZ-UHFFFAOYSA-N 354.350 1.732 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1F)c1ccc(F)cc1 8810793 DPPMWRVMYREFJI-UHFFFAOYSA-N 356.350 1.488 0 40 FDAB CSc1ccccc1-n1nnn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103008095 DKXQUPIJTAYYRT-XWIASGKRSA-N 350.425 1.776 0 40 FDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)COC 22624889 GUNXWXOZZZDJBV-TZMCWYRMSA-N 367.471 1.435 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccnc1N1CCOCC1 23184196 FRXWHTUGVBQXCQ-OAHLLOKOSA-N 369.421 1.830 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@](C)(O5)[C@@H]1O 100393640 WVIJKZGJRVKCQR-ZIYWJCFISA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro COCCN(CCOC)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 25952823 UCIXSEKLFGLHRU-UHFFFAOYSA-N 363.389 1.415 0 40 FDAB CN1CCN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)CC1 22267173 HDPOSCSLBDHROV-UHFFFAOYSA-N 355.158 1.589 0 40 FDAB COc1ccc(-c2nc(NC(=O)Cn3ccc(=O)[nH]c3=O)sc2C)cc1 57868409 NOLKJWAMMFZAKU-UHFFFAOYSA-N 372.406 1.616 0 40 FDAB CCN(CC)C(=O)CCNC(=O)N1CCC(C(=O)NCCC(C)C)CC1 58143123 KBSYNPJTUWLJTF-UHFFFAOYSA-N 368.522 1.829 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)n1 58231649 UZBWUAINFJYINQ-HNNXBMFYSA-N 368.441 1.541 0 40 FDAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(F)cc1 20013238 MJKPKNMNGIYCBH-UHFFFAOYSA-N 364.442 1.946 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 10509971 JOYYOZODLWDBOF-UHFFFAOYSA-N 373.394 1.306 0 40 FDAB O=C(O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2237304 QMRRSOXJOCIFQR-UHFFFAOYSA-N 372.468 1.618 0 40 FDAB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCOCC1)c1ccco1 3290726 MLWJVBIZGGJHDG-UHFFFAOYSA-N 358.350 1.548 0 40 FDAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 36396998 CSRMSFXJSJNRPC-UHFFFAOYSA-N 359.451 1.547 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 4090744 OMZZBCASOGVMNY-KGLIPLIRSA-N 361.442 1.709 0 40 FDAB biogenic CN(CCOc1ccc(F)cc1)CC(=O)NC(=O)NCC(F)(F)F 8745816 HWZFARRIAGGFJP-UHFFFAOYSA-N 351.300 1.524 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 14160253 OHRFUZOAEDWQJO-UHFFFAOYSA-N 364.467 1.846 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)NCCc2cccs2)cc1 14137453 OLNKLLZJUCDYMQ-UHFFFAOYSA-N 353.469 1.480 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1 14403414 HAVBITBCGNRYHM-INIZCTEOSA-N 356.357 1.788 0 40 FDAB O=C(COc1cccc(-n2cnnn2)c1)NCc1ccc2c(c1)OCO2 5673630 NGZAHQYVIUXELD-UHFFFAOYSA-N 353.338 1.086 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 7061428 MYULYQQYPLKNCN-IBGZPJMESA-N 367.361 1.821 0 40 FDAB Cn1c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 7674597 YEMFBLGODRUGMJ-UHFFFAOYSA-N 359.407 1.823 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1(c2ccccc2)CCC1 41843787 XTWFVVBCZKEGPB-UHFFFAOYSA-N 369.446 1.921 0 40 FDAB COCc1nnc(NC(=O)CCCc2nnc3ccc(Cl)nn23)s1 96232811 ZWSKGCVLRARVDW-UHFFFAOYSA-N 367.822 1.737 0 40 FDAB CCCCOCCCNC(=O)CCC(=O)N1CCC(C(=O)OCC)CC1 19849938 SECYBXDUPVCHIN-UHFFFAOYSA-N 370.490 1.891 0 40 FDAB CCOCCNC(=O)c1ccc2c(c1)nc(C)n2[C@@H]1CCS(=O)(=O)C1 72301629 VJIQUWZPGCFLKC-CQSZACIVSA-N 365.455 1.471 0 40 FDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 72325268 AWLGECXAIDPQNA-UHFFFAOYSA-N 367.361 1.456 0 40 FDAB biogenic CCN(Cc1ccccc1Cl)S(=O)(=O)N1CCC(C(N)=O)CC1 84777571 MELKNVYYCJZKNO-UHFFFAOYSA-N 359.879 1.604 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C 408587211 BDMQMDPPQYVFGR-UHFFFAOYSA-N 367.427 1.112 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306140711 VBNXJNACAVXBBI-OAHLLOKOSA-N 354.472 1.819 0 40 FDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C[C@H](C)O1 36802594 WFXYHELBTODMLK-AVGNSLFASA-N 363.483 1.958 0 40 FDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccnc1 79492782 PVHLOIIZTWYOGZ-INIZCTEOSA-N 367.453 1.936 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148380 PEBHFUIXHGWLRP-UHFFFAOYSA-N 373.457 1.860 0 40 FDAB Cc1cc(N2CCCCC2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 71282300 ZSCLUSOEWKHTMO-UHFFFAOYSA-N 357.439 1.790 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980228 VUNHAENOMXHANS-AWEZNQCLSA-N 354.353 1.702 0 40 FDAB O=C(CNC(=O)c1cccs1)Nc1cccc(CN2CC[C@H](O)C2)c1 560678949 UQPZNWOSOBIJJV-HNNXBMFYSA-N 359.451 1.683 0 40 FDAB COc1cc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 222433552 POZZNRSKEPZBQL-PJQZNRQZSA-N 353.758 1.950 0 40 FDAB CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCC[C@H]1O 225569942 FQBXRBASOQZESD-IAGOWNOFSA-N 366.483 1.847 0 40 FDAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(CNC(=O)C(F)(F)F)C=C[C@H]2O1 229902917 VUKCMKKLFPMOTI-QHSOUUPTSA-N 366.295 1.178 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)C 224970700 VOWNGVQJLNVCAV-MRXNPFEDSA-N 371.503 1.308 0 40 FDAB CS(=O)(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NCc2cccs2)C1 96209529 GXXGYJBRLZXKML-MRVWCRGKSA-N 358.485 1.051 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3ncncc3C)CC2)cc1F 96024465 UNDOLVHJFUQUBF-UHFFFAOYSA-N 366.418 1.444 0 40 FDAB CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)c1ccncn1)CC2 96264763 QJDLRRZNBLWHFE-UHFFFAOYSA-N 359.455 1.560 0 40 FDAB COC(=O)c1ccc2nc(CNC(=O)[C@@H]3CCCc4n[nH]cc43)[nH]c2c1 584179542 FKFWASQFLBJDGB-LLVKDONJSA-N 353.382 1.809 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CO)C(=O)O 242547617 KNHZHRMPRMFWBY-WZRBSPASSA-N 363.229 1.413 0 40 FDAB Cc1nc2ccc(C(=O)N3CCOC[C@H](Cc4ccncn4)C3)cc2[nH]1 257216340 CUCWZLQCJSOQSJ-CQSZACIVSA-N 351.410 1.993 0 40 FDAB CN1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 257367410 LKMOLOHEROWXEQ-JOMPHRNESA-N 355.482 1.895 0 40 FDAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)C(=O)Nc1ccon1 253397569 FUFCPCIBMVFDPJ-GFCCVEGCSA-N 350.400 1.112 0 40 FDAB CCn1cc(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c(C)n1 257307871 TULKJADYCCVBMO-CYBMUJFWSA-N 351.476 1.718 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 591822166 HELNQRMRHWLTAH-SFHVURJKSA-N 374.485 1.370 0 40 FDAB O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cccc(-c2nc(=O)o[nH]2)c1 1141668280 BYENKWJMPXNWKU-DZGCQCFKSA-N 353.334 1.254 0 40 FDAB NC(=O)Cn1cc(Nc2ccc3nnc(-c4cccc(F)c4)n3n2)cn1 1162216340 QNCHBUHJMQCADU-UHFFFAOYSA-N 352.333 1.356 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCO1 681943922 PZCPPZGQTQAJJC-SJLPKXTDSA-N 374.437 1.267 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1ccncc1Cl 1775957170 GVOVNOLONWDDKD-CABZTGNLSA-N 351.794 1.654 0 40 FDAB COC(=O)c1cc(N2CCN(Cc3cccc(Cl)c3)C(=O)C2)ncn1 603308424 HRTSBFUSSFNMLU-UHFFFAOYSA-N 360.801 1.765 0 40 FDAB Cc1cc(C)c(C(=O)NC2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)o1 638725002 DSNBBXSYWVHXPJ-INIZCTEOSA-N 363.458 1.371 0 40 FDAB CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)n1C 648055758 VFJFLAJSQCREME-SFHVURJKSA-N 353.470 1.692 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCCO)CC2)c1 298532083 XKAFIILEFLSECQ-UHFFFAOYSA-N 350.415 1.055 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccncc2OC)C1 585123244 KXHLUAGMWIQDST-QWHCGFSZSA-N 370.475 1.122 0 40 FDAB CN(CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1cccnc1 585274071 ZUTIYKYJEACZAU-WOJBJXKFSA-N 353.466 1.966 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@@H]12 585109252 FHYBQUWGIFQFMF-KURKYZTESA-N 351.406 1.628 0 40 FDAB CN(C)C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44098360 FKHUZBPPGRVNEW-UHFFFAOYSA-N 370.335 1.954 0 40 FDAB O=C1CC2(CN(S(=O)(=O)c3ccccc3)C2)ON1Cc1ccccc1 1549163092 YRFNSNZCCBTVPJ-UHFFFAOYSA-N 358.419 1.794 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 19463220 KTXUVUOEMDYKDY-UPJWGTAASA-N 355.442 1.746 0 40 FDAB CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19501107 VIMDVPRDSAKRKZ-ZDUSSCGKSA-N 358.442 1.181 0 40 FDAB Cc1cc(C)n(CC(=O)N2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)n1 19573314 UQNCGQRCQCSVNF-FQEVSTJZSA-N 352.438 1.847 0 40 FDAB CN(C)c1ncc(CN2CCN(CCOc3ccccc3F)CC2)cn1 19585535 WATMNWREYJZRRS-UHFFFAOYSA-N 359.449 1.878 0 40 FDAB CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C(C)C)CC1)C2=O 19699542 CSIVLUFGNBQCGV-UHFFFAOYSA-N 350.463 1.040 0 40 FDAB COC1(OC)[C@@]2(Cl)[C@H]3C(=O)[C@H]4[C@H]5C(=O)[C@H]3[C@]1(Cl)[C@@]5(Cl)[C@@]42Cl 169795875 IXQXXDRHGCNCJI-CEIJYYQMSA-N 372.031 1.557 0 40 FDAB CCc1ccc(N2C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)O)C2=O)cc1 16899745 NWCFXBHTDSKQPG-KGLIPLIRSA-N 364.423 1.203 0 40 FDAB CN1CCN([C@H](CNS(=O)(=O)c2cccs2)c2cccn2C)CC1 21154831 GSDKMCAILLZJSU-OAHLLOKOSA-N 368.528 1.354 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)ccn1 1889139107 PUNXYLIHVGWCGA-UHFFFAOYSA-N 366.299 1.498 0 40 FDAB CN(C)CCOC[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2nnn(C)c21 1565551775 VJPZRTMQCAXALG-KXBFYZLASA-N 361.490 1.566 0 40 FDAB CC[C@H]1C(c2ccccc2)=NN(CC)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4576418 DAFARFASMXFSNA-ZDUSSCGKSA-N 366.425 1.629 0 40 FDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2)cc1C 9571082 QLSCGCHRFWDEKY-UHFFFAOYSA-N 361.402 1.897 0 40 FDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cn[nH]c2)C1 2055751382 QKHGFIPBSSVJCC-IBGZPJMESA-N 357.458 1.619 0 40 FDAB O=C(CCc1ccc(F)c(Cl)c1)NCCOCCN1C(=O)CCC1=O 575620733 UTUZOFSQKSQPSP-UHFFFAOYSA-N 370.808 1.694 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(n2cc(C3CC3)nn2)C1 585149193 UJMGRPBWGKRLQL-LLVKDONJSA-N 356.382 1.735 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)C(=O)C1=O 585147996 LSPYRZXAGQVGHR-OAHLLOKOSA-N 371.393 1.380 0 40 FDAB COc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c(OC)c1 40089988 MQXUALLCZXBGTA-GFCCVEGCSA-N 356.444 1.105 0 40 FDAB CC(C)(C)N1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)CC1 40155238 QKTQSSTVSHXDLQ-UHFFFAOYSA-N 357.458 1.315 0 40 FDAB CCOC(=O)N1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 30989209 GMWCDYBLKQVEPK-CQSZACIVSA-N 363.414 1.747 0 40 FDAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 100821405 UVBAFAQVSYASCV-QGZVFWFLSA-N 373.453 1.523 0 40 FDAB COCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 32105086 UAQVFPZADTWJNY-QGZVFWFLSA-N 360.454 1.948 0 40 FDAB COc1ncccc1C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29363294 AXAOIMYOCSJVFJ-OAHLLOKOSA-N 360.458 1.249 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2N=C(C)C[C@]2(O)C(F)(F)Cl)c1C 17076016 FYLPDVQTTMKAKE-NSHDSACASA-N 370.809 1.810 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 21526027 DSZLUBUDVRZMAC-CHWSQXEVSA-N 358.442 1.541 0 40 FDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 76069898 ITXUHYLGXNYKGD-JSGCOSHPSA-N 350.394 1.438 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)no1 7735801 AKGAAKGSGXYMTG-UHFFFAOYSA-N 357.322 1.151 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(NC(N)=O)cc2)c1 10549091 OYHGVAFBHNCSHH-UHFFFAOYSA-N 362.411 1.479 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)cc1 32994714 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359.357 1.918 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc(Br)o1 225796965 TUQMSQUOGVCWDD-UHFFFAOYSA-N 363.171 1.577 0 40 FDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1 224424308 XJNRDXMNVNUFLC-UHFFFAOYSA-N 352.456 1.766 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1C 224342066 KOWLJQNEWRGBKZ-UHFFFAOYSA-N 365.459 1.726 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccnc(N3CCOCC3)c1)C2 225520160 KQMLRMDUPSIBFO-OAHLLOKOSA-N 355.442 1.371 0 40 FDAB Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(=O)n(C)c1=O 192887867 ROXIWQRSOSUJJF-UHFFFAOYSA-N 364.210 1.192 0 40 FDAB Cn1ccnc1CN1CCOC[C@@]2(C1)CN(c1ccsc1)C(=O)CO2 96240197 KRIJQGHRMJBRNN-QGZVFWFLSA-N 362.455 1.116 0 40 FDAB O=C(c1ncccn1)N1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 96110402 QAHHKGVPKJYADH-APWZRJJASA-N 354.410 1.710 0 40 FDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 332013875 YMVDHMQMIMAZSX-AWEZNQCLSA-N 368.480 1.823 0 40 FDAB Cn1cccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 96218446 PDWQWTJLIHOKAX-IFXJQAMLSA-N 354.410 1.077 0 40 FDAB Cc1cn2c(=O)c(C(=O)Nc3ccc(Cn4cncn4)cc3)cnc2s1 95480007 QLTWUGBHOLBWOD-UHFFFAOYSA-N 366.406 1.957 0 40 FDAB CN(C)C(=O)CNC(=O)c1nc2c(s1)CCCN2Cc1ccccc1 96264615 WUTPUVFVIGVXRX-UHFFFAOYSA-N 358.467 1.914 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]1O2 96083603 NADCRMPCBKMQOB-IXDOHACOSA-N 364.467 1.274 0 40 FDAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NCCN2CCOCC2)Oc2ccccc21 248012384 WEHSMKAKMIUGAX-ZXFPDNNPSA-N 370.449 1.495 0 40 FDAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccon2)(c2ccccc2)CC[C@@H]1O 257265938 MAYICKZETXHJNB-QRFRQXIXSA-N 371.437 1.782 0 40 FDAB Cc1ncc(CNC(=O)c2ccc(C)n(C)c2=O)c([C@H]2CCCN2C)n1 257326036 WVMYKOLSJPYUSM-MRXNPFEDSA-N 355.442 1.489 0 40 FDAB Cc1cc(N2C(=O)OCC2(C)C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257319852 VUHVSYCYLNDYHU-NSHDSACASA-N 354.432 1.617 0 40 FDAB Oc1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 257304375 SLISKHBWUMKXKZ-INIZCTEOSA-N 357.410 1.787 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(Cc3cc4cc(OC)ccc4[nH]3)C[C@@H]21 257320612 VXOMBRGUANUESF-ROUUACIJSA-N 359.426 1.235 0 40 FDAB CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1F 257254602 KDVSBKZFBFYYNW-BFYDXBDKSA-N 356.463 1.824 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 274217914 OFFBGGFPUJAHHW-HZPDHXFCSA-N 367.471 1.194 0 40 FDAB CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)cc1 279752240 LFUAMLLJXBUBJB-WMLDXEAASA-N 368.499 1.892 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3ncc(-c4cccc(F)c4)o3)C[C@H]2O)cn1 625624781 KGGRDPAPHRXDJK-NVXWUHKLSA-N 358.373 1.838 0 40 FDAB COc1ccc2c(c1)C[C@H](C(=O)N1CC(OCc3nnc(C)o3)C1)CO2 644211960 DQURWAFMKANACO-ZDUSSCGKSA-N 359.382 1.365 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnn2ccccc12 656857752 REASURBUORUWHP-CXAGYDPISA-N 352.398 1.300 0 40 FDAB CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCc1ccc(F)cc1 656940544 MZLNASKMTSBLTE-FGTMMUONSA-N 370.490 1.882 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCN(c2cnccn2)CC1 667510163 ARGGUQPDOHNAFT-QFBILLFUSA-N 356.474 1.983 0 40 FDAB FC(F)(F)c1cc(=NCc2nnc3ccc(N4CCCC4)nn23)[nH]cn1 575615713 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MBJIOSOTWURMED-AWEZNQCLSA-N 352.456 1.646 0 40 FDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1F 100033338 PDAPDSZYZMUXMB-HZPDHXFCSA-N 367.340 1.758 0 40 FDAB Cc1nccn1Cc1cccc(CNC(=O)Nc2cnn(CC(N)=O)c2)c1 40151711 AZWWWBIMXNYFLG-UHFFFAOYSA-N 367.413 1.243 0 40 FDAB O=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(F)cc2)CC1 20100442 OGQAAJHRHFFZJD-UHFFFAOYSA-N 363.477 1.876 0 40 FDAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2Cc2ccco2)c2ccccc21 20673474 LPFSLCKDKAOITB-OAQYLSRUSA-N 359.385 1.868 0 40 FDAB COCCCn1c(N)c(C(=O)NCCOC)c2nc3ccccc3nc21 2650231 FTZGVMZWFVIPDJ-UHFFFAOYSA-N 357.414 1.579 0 40 FDAB COc1ccc(O[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 32892760 OYXHFYCIUWADRH-UGSOOPFHSA-N 354.406 1.901 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12 32903113 DEORLXIXJJWJLK-CYBMUJFWSA-N 364.405 1.634 0 40 FDAB Cn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 2922859 XYEVXHKHHRCOPM-UHFFFAOYSA-N 351.362 1.886 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1nncn1C 47331447 SGFAKBDZVDJPFU-QMMMGPOBSA-N 350.322 1.753 0 40 FDAB C[C@H]1C[C@@H](C)CN2c3c(F)cccc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12 103406118 JSTMVLHPSFGDCC-PDMXGENHSA-N 359.401 1.927 0 40 FDAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1 9140165 IBZFLWSHNDGVBA-RMKNXTFCSA-N 360.443 1.864 0 40 FDAB CCC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851644 OQACGTOCAFIVIT-UHFFFAOYSA-N 351.414 1.328 0 40 FDAB CCN(CC)CCN(CC(C)C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 54298047 AXEVISYPRXNZSC-UHFFFAOYSA-N 373.501 1.763 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1 57364076 MCYPQILNYFEWCN-UHFFFAOYSA-N 355.398 1.024 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C(=O)NC(N)=O)c1ccccc1 24808955 JHQAWSUMMCCKGT-MRXNPFEDSA-N 365.393 1.291 0 40 FDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1nnc2ccccn12 25466753 YOYYBAHSMSUSPK-UHFFFAOYSA-N 365.393 1.352 0 40 FDAB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3299581 QATBHKLJWHMIDP-UHFFFAOYSA-N 360.863 1.843 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccccc1COc1ccccc1 12615348 NRYWGQSYKNSVQU-UHFFFAOYSA-N 365.389 1.432 0 40 FDAB CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)(C)C 22058773 SARYWLRCUHZXGT-GFCCVEGCSA-N 374.434 1.291 0 40 FDAB in-vitro CCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 58048875 ZDQKPXAUPLUTLL-ZFWWWQNUSA-N 372.874 1.574 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccc(O)c1)C2=O 58185824 JMMMMHAVOJHLLP-UHFFFAOYSA-N 373.453 1.942 0 40 FDAB COCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C 67890067 NCSWHYGQZODAEM-CJNGLKHVSA-N 351.447 1.227 0 40 FDAB biogenic,in-vitro C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 12791203 AYDSZPPJOJXGJY-BLVKFPJESA-N 369.425 1.886 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 12790314 HRFUIJCJENJEBM-GWCFXTLKSA-N 364.423 1.082 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 45400944 VMNIITQEGOCZEA-CQSZACIVSA-N 358.442 1.817 0 40 FDAB Cc1cc(NC(=O)CN2CCC[C@@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 28903854 CDHRVLHTSZSJJP-TZMCWYRMSA-N 354.476 1.222 0 40 FDAB O=C(CCC(=O)c1ccc(Br)cc1)N[C@H]1CCS(=O)(=O)C1 13018724 HLSGMSDFMLKQIA-LBPRGKRZSA-N 374.256 1.715 0 40 FDAB O=C(NCc1nnc2n1CCC2)c1ccccc1I 13001554 QASJFYQYTBKKNH-UHFFFAOYSA-N 368.178 1.759 0 40 FDAB COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1ccc(C)cc1O 63544420 XAJAYAMAYDLOTO-DHDCSXOGSA-N 365.407 1.837 0 40 FDAB COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(C)C1 20464388 XSXLXWUFWZHYED-STQMWFEESA-N 374.397 1.363 0 40 FDAB biogenic,in-vitro CCSc1nnc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)s1 49580978 GFBRDJIXMALQDR-ZDUSSCGKSA-N 355.445 1.309 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H]3C=CS(=O)(=O)C3)c(=O)oc2c1 13623811 YBUVQKFUGKSYNX-NSHDSACASA-N 363.391 1.085 0 40 FDAB Cc1ccc(N2C(SCC(=O)N(C)C)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8993480 BXCWPYQCTBCPQQ-ZIAGYGMSSA-N 367.496 1.158 0 40 FDAB Cc1ccc(CNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6586762 NCKYBIDNAYNTNP-UHFFFAOYSA-N 373.409 1.019 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2ccccc21 71279576 CFBJEGZUWJYFKP-UHFFFAOYSA-N 361.405 1.953 0 40 FDAB COc1cc2c(=O)nc3n(c2cc1OC)[C@H](c1ccccc1)NC(N)=N3 9108675 YGEGFQGZODJGGM-OAHLLOKOSA-N 351.366 1.510 0 40 FDAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 6886407 YNOLGBXIAWJFLC-IHVVCDCBSA-N 357.815 1.200 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1Cl 15298878 XFJUHWFDLLFPNF-NSHDSACASA-N 362.854 1.604 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 28576786 KPRNYLGHECEARV-CYBMUJFWSA-N 353.382 1.755 0 40 FDAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(N)(=O)=O)c1 5985901 PSKMSTLLXFVLSH-UHFFFAOYSA-N 358.423 1.885 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccoc1 16159161 BREBFFXWRZCNKR-UHFFFAOYSA-N 357.366 1.813 0 40 FDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 9341246 XTQKWEZQNHKGGV-QGZVFWFLSA-N 351.406 1.915 0 40 FDAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 409136177 UAWKPVDLASGNRR-KPKJPENVSA-N 365.363 1.749 0 40 FDAB COc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC(C)C)C[C@H]3C2)c1 306124328 BMSOCLWSKUNXNT-HOTGVXAUSA-N 369.469 1.729 0 40 FDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 88213070 VKLYRGIQOIYYQV-INIZCTEOSA-N 368.481 1.947 0 40 FDAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccnc1 95951325 ZLBMZJQFXZNDNE-GFCCVEGCSA-N 357.432 1.436 0 40 FDAB COc1ccc(CNC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1OC 75110586 XVKPOAWRILPDRE-AWEZNQCLSA-N 365.430 1.174 0 40 FDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(=O)[nH]n1)CC3 25451216 GLFRTQWQOGBGAZ-UHFFFAOYSA-N 352.350 1.236 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 39983573 HPKMOBSWVKMLGI-GOSISDBHSA-N 354.414 1.539 0 40 FDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408708905 MZXHOJICAACGIT-UHFFFAOYSA-N 369.421 1.626 0 40 FDAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1 35191215 IJAXSZGIUCBDIP-HNNXBMFYSA-N 350.850 1.811 0 40 FDAB COc1ccc2c(c1)CC[C@H](C(=O)N1C[C@@H]3OCCN(C(C)=O)[C@@H]3C1)C2 1552892650 KRCNWWJHDZNREB-UHOSZYNNSA-N 358.438 1.258 0 40 FDAB O=C(CN1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CCCCC1 519750102 IGMGSGLUEHEXNG-UHFFFAOYSA-N 358.490 1.622 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC 408703872 UVDSMIOWADFBHD-UHFFFAOYSA-N 370.471 1.492 0 40 FDAB O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NC[C@H]1COCCO1 35315664 KGYVQLFDOZBNEC-KRWDZBQOSA-N 364.417 1.252 0 40 FDAB CN1CCN(c2cc(OCCNC(=O)c3ccccc3F)ncn2)CC1 38521389 LYYWQWUOEFHOKG-UHFFFAOYSA-N 359.405 1.176 0 40 FDAB O=S1(=O)CC[C@H](Cc2nnc(SCc3cn4ccccc4n3)o2)C1 39996311 JBKQZMOLVBBCIL-LLVKDONJSA-N 364.452 1.987 0 40 FDAB CCCCOC(=O)N1C[C@H](C)N(C[C@H](O)CN2CCOCC2)C[C@@H]1C 35363548 JARLNTUMYBPHBL-YESZJQIVSA-N 357.495 1.011 0 40 FDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 78269261 ZODHLSVTCICPIV-SJLPKXTDSA-N 371.485 1.136 0 40 FDAB CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(N)c1 217343927 TURXSYDYWDGFKA-DZGCQCFKSA-N 352.438 1.804 0 40 FDAB O=C(Nc1cc2n(n1)CCCC2)Nc1nc(CN2CCOCC2)cs1 562681669 NKGHRNOYIZHHLB-UHFFFAOYSA-N 362.459 2.152 0 40 FDAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2ccccc2)s1 225466547 GVBVERFQNZJRSP-UHFFFAOYSA-N 359.454 1.745 0 40 FDAB Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCS(=O)(=O)C2 41070490 OYCIPKASWHKECV-UHFFFAOYSA-N 353.831 1.474 0 40 FDAB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1 224677146 UEMLQRCESHQMDB-UHFFFAOYSA-N 363.391 1.842 0 40 FDAB COc1ccccc1-c1c2c(=O)n(CCCO)ccc2nc2ncnn12 40398173 ANCJXQKJSQBSEN-UHFFFAOYSA-N 351.366 1.497 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Br)c1 226686436 XUWLMYBWHVUZKW-UHFFFAOYSA-N 366.233 1.689 0 40 FDAB COc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c(C)c1 224219596 NYFOOTNRVDACHR-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)[C@@H]1CCCO1 576946314 LQLTZLGHFLEQMY-NWDGAFQWSA-N 358.188 1.576 0 40 FDAB Cc1ccc(N[C@H]2CO[C@@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)nn1 96073794 PXEKJIHYFCZIMQ-CJNGLKHVSA-N 352.460 1.313 0 40 FDAB Cn1cccc1C(=O)N1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 96051514 FSAUNQORGXCOIM-INIZCTEOSA-N 353.426 1.630 0 40 FDAB O=C(c1ccccn1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96062447 UGLUHJXJSGAEPI-GOSISDBHSA-N 358.467 1.903 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1nc2ccccc2[nH]1 96117125 HPWYTFLNVCUTTK-UHFFFAOYSA-N 363.377 1.739 0 40 FDAB O=C(NCCc1ccc(O)cc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472223 UFVHLCVELJBJCV-AWEZNQCLSA-N 364.405 1.980 0 40 FDAB CO[C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96209657 YGKFOEKWFJXZTA-RCCFBDPRSA-N 353.426 1.233 0 40 FDAB O=C1[C@H]2[C@H]3[C@H]4[C@@H]5[C@@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@@]14Br 230032156 GABJUTVSUROVBC-KNOAEHMYSA-N 362.017 1.331 0 40 FDAB COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 583856351 QNEFNGTUJVRJIG-LLVKDONJSA-N 369.317 1.188 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3cocn3)CC2)CN1c1ncccn1 96215758 XQVYHLRKUHZUMJ-CQSZACIVSA-N 357.414 1.612 0 40 FDAB Cn1c(CO[C@H]2CN(C(=O)c3cncnc3)C[C@H]2F)nc2ccccc21 96111991 MCVIYKFHXRFPNV-CJNGLKHVSA-N 355.373 1.743 0 40 FDAB biogenic,in-vitro Cn1ccnc1C(=O)NCC[C@@H]1CCOC12CN(Cc1nccs1)C2 248079970 AGAAMTLAYNAHBS-CYBMUJFWSA-N 361.471 1.288 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc(CN(C)C)cc2)CCO1 257332419 XXGORIQBESAABD-INIZCTEOSA-N 355.442 1.794 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)c4ccncc4)C3)ccnc12 257199764 AASPTNGWZXYIJM-CQSZACIVSA-N 364.409 1.504 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ncc[nH]1 257311525 UJXHTJDGZOWQBC-BDXSIMOUSA-N 370.453 1.575 0 40 FDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C1CCOCC1)C[C@H]2c1ccccc1 257272885 NEFIMBYLMDUDHH-BQJUDKOJSA-N 358.482 1.863 0 40 FDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)n1 257296838 REOFFCGLXKARKR-MRXNPFEDSA-N 359.430 1.684 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)n1 257232668 GLWNTGAIQJDHNA-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC(c2ccnc3cc(C)nn23)CC1 257254469 KDEVRBWCQBIKII-UHFFFAOYSA-N 351.476 1.804 0 40 FDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1 659204400 PXIRVSVYPQSEAZ-QWHCGFSZSA-N 364.446 1.926 0 40 FDAB O=C(O)COc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 683338867 QZBFFTHXLCXUAP-HNNXBMFYSA-N 360.410 1.671 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NC1CC(C(=O)O)C1 693377461 CTDINQGFDIBUEF-UHFFFAOYSA-N 364.217 1.599 0 40 FDAB CN(C(=O)N1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2CC2)C1)C1CCCC1 1775962821 LEOFSHXSGZWSEF-NVXWUHKLSA-N 373.501 1.956 0 40 FDAB O=C(CC1CCN(CC(F)F)CC1)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615591203 QYTUUDPPAOANLT-JKSUJKDBSA-N 371.472 1.581 0 40 FDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)Cc2ccccc21 599504979 JYNFONYVPOUJCU-BBRMVZONSA-N 352.456 1.878 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 575423202 ZGNCFXYCVSXYKY-VQTJNVASSA-N 374.506 1.436 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@@H](C(=O)O)N(Cc2ncn(-c3ccccc3)n2)C1 685940531 NLCVRLFAQNRRIB-ZFWWWQNUSA-N 357.414 1.021 0 40 FDAB CNC(=O)C1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 73648132 UHRDQQCNOOMRHL-APWZRJJASA-N 372.513 1.224 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)Nc2ccnc3ccnn23)CC1=O 108720738 KWWLIOAJKVPZJC-GFCCVEGCSA-N 351.366 1.730 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 548024456 DSQRLGMZHPUXMQ-HIFRSBDPSA-N 371.441 1.265 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1 1155594728 IMAFWYOBUWJALX-UHFFFAOYSA-N 354.414 1.372 0 40 FDAB COc1ccccc1[C@H]1c2cc3c(cc2O[C@](O)(CO)[C@@H]1C(=O)O)OCO3 5809642 NGTIFJDPPBHRMW-JENIJYKNSA-N 374.345 1.330 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc(O)c1 5870350 BROYFEJZVCUECR-NNFUDEMPSA-N 364.394 1.558 0 40 FDAB CC[C@H](C)[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC 13001512 HIAFKWFKCOKCHV-LRDDRELGSA-N 360.410 1.767 0 40 FDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2ccccc2F)CC3)C1 19709491 RMLDXFQKRZYPDQ-INIZCTEOSA-N 371.460 1.854 0 40 FDAB CNc1cc(CN(C)C(=O)CN2CCC(C)CC2)nc([C@H]2CCCN2)n1 19759840 YEWJFWAAGVXGHC-MRXNPFEDSA-N 360.506 1.633 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc(O)c1F 1888853673 JYVKHNTVPQLJQL-BETUJISGSA-N 364.421 1.205 0 40 FDAB Cn1c(O)nc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1=O 1888888023 AUYCDNJBSDKUDA-CHWSQXEVSA-N 364.409 1.002 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccnn4C)C3)C2)n(C)n1 2056224793 WBFUNXQFSIILMV-HXUWFJFHSA-N 370.501 1.980 0 40 FDAB Cn1cccc(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1=O 1614937816 PHNJVOSGXWXZPS-KRWDZBQOSA-N 365.433 1.521 0 40 FDAB CN(C(=O)CSc1ccc(F)cc1)C1CN(c2ccc3nncn3n2)C1 1565520769 NVHKLMAIPHNUNS-UHFFFAOYSA-N 372.429 1.703 0 40 FDAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C 4912558 HBYQOBYPDJRVRS-UHFFFAOYSA-N 355.373 1.491 0 40 FDAB Cc1cc(C(=O)N[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)no1 2055745638 PTDGAQSGWFBMQD-LBPRGKRZSA-N 358.398 1.931 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(CC(=O)N2CCCC2)CC1 2055739442 YRXOFVDPAKCMNO-UHFFFAOYSA-N 362.449 1.441 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccsc1)N1CCOCC1 22766447 QAVMBIKTHHKQML-QGZVFWFLSA-N 373.478 1.554 0 40 FDAB Cc1cc(C)n([C@H](CNC(=O)C(=O)N=c2cc(C)o[nH]2)c2ccsc2)n1 575612453 AKYHZGRAWKRIBZ-CQSZACIVSA-N 373.438 1.624 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 40012199 FAQDWKPOWAOOLY-UHFFFAOYSA-N 370.453 1.616 0 40 FDAB C[C@]1(c2cccc(NC(=O)c3cnc4ccccc4n3)c2)NC(=O)NC1=O 40111088 BWOOTNLGXVYWHW-LJQANCHMSA-N 361.361 1.937 0 40 FDAB CC(C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 100788340 GIFLZIXZJZLAOF-UEABVUSTSA-N 356.378 1.226 0 40 FDAB biogenic Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3COCCO3)CC2)s1 51279038 IYCOTRVWCDHOOG-CQSZACIVSA-N 367.471 1.376 0 40 FDAB CCCc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3C(N)=O)ccc12 32124071 ALXKYXADSFCRGS-HNNXBMFYSA-N 358.394 1.601 0 40 FDAB biogenic CC(=O)N(C)C1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 101985289 LTJFDPDJTGKFRQ-GOSISDBHSA-N 360.502 1.812 0 40 FDAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 4040862 LXIQMFKOABADKQ-AWZDBXFWSA-N 357.362 1.411 0 40 FDAB CCc1cccc(O[C@@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)c1 4559899 GSDLPPZTQOCNCB-FLXSYLCISA-N 365.426 1.370 0 40 FDAB Cc1cc(C)cc(OCCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 7416376 IAJQUXVDFRQLFJ-UHFFFAOYSA-N 362.817 1.783 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 53959362 IKAJJAZEXPJSSA-NSHDSACASA-N 369.368 1.888 0 40 FDAB O=C(CCc1cc(F)ccc1F)NCCCn1nc2n(c1=O)CCCC2 54082057 IOPFDNNPRHOOLC-UHFFFAOYSA-N 364.396 1.798 0 40 FDAB COCCNC(=O)CN(C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 23652409 LLUOFNNERRWSKM-UHFFFAOYSA-N 372.347 1.136 0 40 FDAB O=C(NCCc1cccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23874558 JICLLLAWVUCJHK-OAHLLOKOSA-N 367.405 1.565 0 40 FDAB O=C(OCC(=O)N1CCc2sccc2C1)c1n[nH]c(=O)c2ccccc12 105508827 GUAQOKRPHLNNGC-UHFFFAOYSA-N 369.402 1.726 0 40 FDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 107341044 SMTGPBCQWATPCX-JSGCOSHPSA-N 355.435 1.138 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(-n2cncn2)nc1 48286584 QMUVSZMWGVVGCT-UHFFFAOYSA-N 363.443 1.026 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC(C)CC2)n1C1CC1 8752478 NYHGZZGNLGBYPS-LLVKDONJSA-N 366.491 1.786 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 58297312 JPDFJRRRVMBLFX-NSHDSACASA-N 366.377 1.693 0 40 FDAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36359187 QDMOCLNCSZSINI-MRXNPFEDSA-N 359.382 1.166 0 40 FDAB CCOc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 10925162 NMQGGHXYZRGNLG-UHFFFAOYSA-N 355.350 1.633 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)c1C 36610992 IPWQDZFAQSTVOJ-IAGOWNOFSA-N 360.458 1.523 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)/C=C/c2cccs2)C[C@H](C)O1 29188392 HKECPTOHFRWIKN-AAAGKOELSA-N 358.485 1.317 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc21 13583394 IIUODGUIBUIFLW-UHFFFAOYSA-N 373.434 1.750 0 40 FDAB COc1ccc(NC2=NC(=O)[C@H](CC(=O)NCc3ccccc3)N2)cc1 13727623 INNLPTOTJKORDJ-INIZCTEOSA-N 352.394 1.668 0 40 FDAB Cc1ccc2c(COC(=O)CN3C(=O)NC(C)(C)C3=O)cc(=O)oc2c1C 4361224 DUEBXCMHJWEZJV-UHFFFAOYSA-N 372.377 1.783 0 40 FDAB CCOc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1OCC 39979694 ALLYCQVOWPMLBR-UHFFFAOYSA-N 370.471 1.773 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O 71288054 PHLDSHOBEHZFLK-STQMWFEESA-N 352.412 1.304 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 71287632 DPLBYACYVJKCEO-ZIAGYGMSSA-N 366.439 1.912 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 71285669 VYHSZPSSKHJBCX-QWHCGFSZSA-N 352.412 1.522 0 40 FDAB O=C(CSc1ncccn1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 6589910 LZKSKARRQFUJCN-AWEZNQCLSA-N 363.464 1.789 0 40 FDAB CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)N1CCN(C)CC1 78279608 PSIWXEMKBOTECB-QGZVFWFLSA-N 367.515 1.172 0 40 FDAB C[C@@H](O)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 96009062 KGUPWCVDXBVPQQ-HUUCEWRRSA-N 368.499 1.679 0 40 FDAB O=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1 96000662 RTFCWNBJJJJQFO-AWEZNQCLSA-N 355.423 1.633 0 40 FDAB CSc1ncccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 7159602 KOROPMVLJGAOMN-UHFFFAOYSA-N 357.391 1.946 0 40 FDAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n1 16826701 VLIHEJMPUYOZPE-VIFPVBQESA-N 369.472 1.695 0 40 FDAB CCCCCn1nc(C(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc2c1=O 8269710 HYAMUFQWXFZNCP-CQSZACIVSA-N 370.453 1.924 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[nH]n2)c1 8428879 HQBIMCHBXFGMNX-UHFFFAOYSA-N 350.382 1.956 0 40 FDAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)O 72328098 XVDVTGSWRJTMOB-UHFFFAOYSA-N 352.391 1.586 0 40 FDAB Cn1ccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)n1 1548348672 QGZSEKWFZRUYLF-UHFFFAOYSA-N 354.410 1.954 0 40 FDAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 26533339 JCEKTDUGJYIOKN-MRXNPFEDSA-N 365.430 1.159 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)c1ccoc1)Cc1cn(C)nc12 306136495 PVBZSCXPCVYGOB-UHFFFAOYSA-N 371.441 1.684 0 40 FDAB CC1CCN(CCCNC(=O)c2ccccc2NS(C)(=O)=O)CC1 22913997 OGXOSIPWELHFRB-UHFFFAOYSA-N 353.488 1.910 0 40 FDAB Cc1nonc1C(=O)NCC(=O)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412822 MHUKQJPRJAZPOK-GARXJVFOSA-N 354.410 1.806 0 40 FDAB O=C(CN1C(=O)S/C(=C2/SC(=O)NC2=O)C1=O)Nc1ccccc1 65090535 UTYVINLNWBJOAL-MDZDMXLPSA-N 363.376 1.515 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36071054 FUPOUZWTBDNGMB-GOSISDBHSA-N 372.446 1.826 0 40 FDAB CNC(=O)c1cccc(N(C)C(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 1558444644 MGIXYHAAOVUKTR-UHFFFAOYSA-N 366.381 1.313 0 40 FDAB Cc1cc(C)nc(N2CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC2)n1 36741400 HOZFSKOQSMIHGE-SFHVURJKSA-N 354.454 1.884 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccco1 38488375 VRHCOOAVPPLEII-GOSISDBHSA-N 356.378 1.447 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 71297203 USSVWDWJRJKAGP-UHFFFAOYSA-N 358.402 1.355 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35375460 VNURPNKDOYXSEL-ATAQVCMLSA-N 361.829 1.879 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 32641351 NXKGBDVJGVVZIX-DGCLKSJQSA-N 373.858 1.460 0 40 FDAB N[C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 562758943 VGHMBXQMWNVXOD-RISCZKNCSA-N 373.379 2.246 0 40 FDAB C[C@H](CNC(=O)C(=O)N1CCC[C@](C)(O)C1)c1nc(-c2ccccc2)no1 568793900 IURQSIANWBHKTN-YJYMSZOUSA-N 372.425 1.330 0 40 FDAB CCN1CCN(CC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)C1=O 45768973 GKGLTGCMRPYINT-UHFFFAOYSA-N 359.304 1.214 0 40 FDAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCCOC)ccc21 225866528 WRLOELYWESFJBN-UHFFFAOYSA-N 353.444 1.790 0 40 FDAB O=C(CSc1ccc2nncn2n1)NC[C@H]1CCCN2CCCC[C@H]12 225410623 IQYHRAAYCWUGME-ZIAGYGMSSA-N 360.487 1.597 0 40 FDAB biogenic CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(-n3ccnn3)cc1)CC2 89832304 PUSLKPRZQXDDCT-DLBZAZTESA-N 356.426 1.659 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4nccn4C)C3)C2)nn1 96240548 MBWJGWXWYYFDAS-APWZRJJASA-N 372.473 1.238 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1cccs1)C2 96050184 HBDJSMOUVWJIAR-LJQANCHMSA-N 370.478 1.983 0 40 FDAB Cc1nnc(NC[C@@H]2CO[C@@]3(COCCN(C(=O)CC4CC4)C3)C2)o1 96240596 DGINWGGAGCPUFZ-PBHICJAKSA-N 350.419 1.224 0 40 FDAB CN(C)C(=O)CNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96266411 WKJFVJGFAWXQIE-UHFFFAOYSA-N 370.457 1.239 0 40 FDAB CCN1C(=O)[C@H](c2cnn(C)c2)CC12CCN(C(=O)c1ccno1)CC2 96069636 LVYLIUWMCNZJEN-AWEZNQCLSA-N 357.414 1.419 0 40 FDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)C1CCOCC1 581066813 KACMCAWESOIVAP-MRXNPFEDSA-N 353.440 1.581 0 40 FDAB c1csc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052351 VLOPLKIFDCEXIE-AEFFLSMTSA-N 352.500 1.830 0 40 FDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247964673 GCJMAEPHKPYDED-MRXNPFEDSA-N 372.425 1.274 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)C1 248163730 YWMLTYUQXPFEHA-YVSFHVDLSA-N 360.502 1.739 0 40 FDAB CCn1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cn1 257239638 HQFCFPPLIDOJDK-GUYCJALGSA-N 374.416 1.827 0 40 FDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1cc(C2CC2)[nH]n1 257241141 HWTKZCOLLAHYFV-BNEJOLLZSA-N 357.410 1.349 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@H]2COc1ncccc1F 253489927 GWBPCNGCEZBSHP-ZDUSSCGKSA-N 358.435 1.125 0 40 FDAB CCn1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)cc1C 257225075 FERXQWUDPDUBOD-YJBOKZPZSA-N 370.453 1.997 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@@H](O)C=C4[C@@H](C2)N(C)CC[C@]431 253504755 LQIKGKFOKAXCRM-SOCIYPEWSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro Cc1cc(N2CC[C@H](NC(=O)Cc3ccc4c(c3)CCO4)C2=O)n(C)n1 266334824 BJEYTOPHWZUDNG-HNNXBMFYSA-N 354.410 1.128 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1c(O)nc(=O)c2ccccc21 270723974 CMCMYEZNLIYILY-OAHLLOKOSA-N 367.409 1.806 0 40 FDAB CN1C(=O)COc2ccc(C(=O)N3CCC(C)(N4CCOCC4)CC3)cc21 628904512 KVJUTDNFLIVYJQ-UHFFFAOYSA-N 373.453 1.369 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)NCc1ccnc(C(F)(F)F)c1)N(C)C2 644478918 XQDNFIZBIRXXDL-NSHDSACASA-N 354.336 1.131 0 40 FDAB CCc1ccc(F)cc1C(=O)N1CC2(CN(C)C[C@@H]2c2n[nH]c(C)n2)C1 1775958082 BVXOVTCLHYRXOH-MRXNPFEDSA-N 357.433 1.986 0 40 FDAB CCc1nc(S(=O)(=O)/N=c2\ccnc3n(C)[nH]cc2-3)cn1CC1CC1 1775994734 YWZQRCMWOCWTHR-DEDYPNTBSA-N 360.443 1.312 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnn2c1OCCC2 90627150 PMRZREYVGNFPQD-MRXNPFEDSA-N 368.393 1.661 0 40 FDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 1616042721 RGSRKNAYELTSEF-BDAKNGLRSA-N 367.349 1.170 0 40 FDAB CO[C@](C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F 96123511 OUFVGIQSAYBYTI-QGZVFWFLSA-N 372.462 1.475 0 40 FDAB Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](N(C)C)C3)cc2)n1 585271189 TUDNOUQIIMZWDU-PMACEKPBSA-N 358.486 1.686 0 40 FDAB O=C(NC1CC1)[C@@H](O)C1CCN(Cc2cccc3c2OC(F)(F)O3)CC1 585087279 IGTIQDWGOPCESV-HNNXBMFYSA-N 368.380 1.860 0 40 FDAB COCCn1nccc1C(=O)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 585101960 NGVZZGOTVXXJOX-LPHOPBHVSA-N 362.474 1.389 0 40 FDAB CCCCS(=O)(=O)N1CCC(C(=O)NC2(c3nc[nH]n3)CCC2)CC1 682605882 GJLIXCSDXMBVFX-UHFFFAOYSA-N 369.491 1.142 0 40 FDAB COc1cccc(C(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)c1 57142321 OYKFQWCCNNXIJC-UHFFFAOYSA-N 352.398 1.714 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCN(C(=O)c2ccccc2)CC1 5824566 XJKXIOMVIXQOCY-UHFFFAOYSA-N 365.433 1.330 0 40 FDAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccc2c1C(=O)N(C)C2 12141986 NCTZXSDEFXFJCO-GFCCVEGCSA-N 365.389 1.999 0 40 FDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)NCC4CC4)nc12)OCO3 12181980 HLJYSMGYQLYOGO-UHFFFAOYSA-N 354.366 1.213 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)COc3ccc(F)cc3)nc2s1 15734018 WERPDZCGQLCIMZ-UHFFFAOYSA-N 363.370 1.975 0 40 FDAB CC(C)OCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15913777 DCEFUQOAEIRPGN-UHFFFAOYSA-N 370.471 1.252 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@@]3(COCCC(=O)N3)C2)on1 19119967 PDFOBRIWWOIRSC-LIRRHRJNSA-N 373.384 1.637 0 40 FDAB O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 19338000 XKDIUJMEJPPZEL-HUUCEWRRSA-N 350.465 1.978 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCO 19696590 JOEFOUABODVZBO-IBGZPJMESA-N 357.410 1.374 0 40 FDAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CC[C@H]1CCCO1 19697232 AYKOLWNNGGLVQD-OAHLLOKOSA-N 368.437 1.860 0 40 FDAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCCc3cn[nH]c3)C2)c1 19750249 YWGJDKPTIHJCJW-INIZCTEOSA-N 356.426 1.629 0 40 FDAB Cc1ccnc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)n1 1888888105 JISBFUVUVPWSHF-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Fc1ccccc1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889108916 DLZONSABBRAXDS-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 1614936167 VTSAVTXXKDHAKO-ZDUSSCGKSA-N 359.417 1.749 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)no1 11898718 PPVWFLYZTUCPRG-INIZCTEOSA-N 373.457 1.994 0 40 FDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2CCc1ccccc1)c1cnccn1 2055729641 GPLRRZBMACKPGT-YSIASYRMSA-N 366.465 1.929 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1 618255462 CXPNJUUPZUSACH-UHFFFAOYSA-N 371.478 1.393 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1 75155952 AXGAEGKJJDLXMP-KRWDZBQOSA-N 362.407 1.497 0 40 FDAB CCCc1noc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 40049536 YGOJZFQYBKQURS-UHFFFAOYSA-N 368.434 1.668 0 40 FDAB CN1CC(=O)N(CCCC(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 40012272 BHQODBFOSODGFM-UHFFFAOYSA-N 357.332 1.996 0 40 FDAB O=S(=O)(NCCNc1cnccn1)c1ccc(OC(F)(F)F)cc1 31584490 GVSHSJALXFJPKN-UHFFFAOYSA-N 362.333 1.766 0 40 FDAB CNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C 31667623 MHNQCLVDGCQLNI-UHFFFAOYSA-N 364.379 1.559 0 40 FDAB C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 20573614 DVYCXQOVMFVACX-CQSZACIVSA-N 363.421 1.926 0 40 FDAB CCS(=O)(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 52113740 RFGMORVQMCIWOO-UHFFFAOYSA-N 370.862 1.044 0 40 FDAB CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 21282437 NIBNTIXSFFSMNX-UHFFFAOYSA-N 362.407 1.717 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(NS(C)(=O)=O)c1 21922120 MCSZJFZGPKRLHV-UHFFFAOYSA-N 355.460 1.435 0 40 FDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)COC)C1=O 2726014 XGGBCYOODOHNDT-PIGZYNQJSA-N 351.378 1.134 0 40 FDAB Cc1cc(C(=O)NCCC(=O)Nc2ccccn2)c2c(C)nn(C)c2n1 52969237 YHMUIKXSIXKNSP-UHFFFAOYSA-N 352.398 1.739 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 12391903 PLIJVEZUKJQKOJ-FUHWJXTLSA-N 366.417 1.940 0 40 FDAB CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 886265 DRFYIAYZPAPFOQ-ZDUSSCGKSA-N 356.444 1.147 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102815151 KOSFCNDKMPLCEK-GVARAGBVSA-N 364.423 1.446 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 23642205 XMFQUHKMCRCQPY-NSHDSACASA-N 373.379 1.457 0 40 FDAB CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 54670786 WVHMSXRPJVKDIL-GFCCVEGCSA-N 352.387 1.288 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)Cn1nnnc1C1CCCC1)CC2 54659119 DKNAXNUEMKGLAS-UHFFFAOYSA-N 371.441 1.933 0 40 FDAB CCCN(CCc1cccs1)C(=O)C1CCN(S(N)(=O)=O)CC1 184377143 AOLBYNCGNPIVBJ-UHFFFAOYSA-N 359.517 1.445 0 40 FDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 58210763 QZKTWKKZXQRCIH-UHFFFAOYSA-N 366.443 1.598 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2nnc(CC(C)C)s2)n(C)c1 21747285 JEAMPUHJPPIVFG-UHFFFAOYSA-N 357.461 1.236 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 10548980 QAIQAZJLPGRQRN-INIZCTEOSA-N 374.418 1.456 0 40 FDAB CN(Cc1ccccc1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 12800152 LNCCGBRGWPJMSK-UHFFFAOYSA-N 357.435 1.774 0 40 FDAB CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)n[nH]c1=O 12999420 RTNXQTNHACUJJG-UHFFFAOYSA-N 370.475 1.265 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13007101 QUBZWLZDMXUHJW-RYUDHWBXSA-N 368.411 1.248 0 40 FDAB COCCCNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4081879 AKPMDBPBGZKKJH-GTNSWQLSSA-N 366.439 1.426 0 40 FDAB biogenic O=C(COC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 5111542 LZFNLJZXMKPIBP-LLVKDONJSA-N 365.329 1.166 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468821 CADVNAXZFIUIDN-SFHVURJKSA-N 358.398 1.006 0 40 FDAB CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 14199273 WPNJRJGHRIQYDM-GOSISDBHSA-N 363.417 1.798 0 40 FDAB C[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)NCc1ccccc1 6544859 UBJSGVXFRSDLBN-CQSZACIVSA-N 365.389 1.645 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1 6784852 VZFIENOTHZZMJP-GOSISDBHSA-N 373.434 1.840 0 40 FDAB COc1ccc(NC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cn1 6832134 TWCDZRUPSRRZTD-MDZDMXLPSA-N 361.423 1.927 0 40 FDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1c1nccs1 67199657 BMODUEWTOYIBDD-HOTGVXAUSA-N 372.494 1.928 0 40 FDAB CCCCn1c(SCC(=O)NCCOC)nc2cc(C)[nH]c2c1=O 67238328 VZHQJNOHWPCUNU-UHFFFAOYSA-N 352.460 1.688 0 40 FDAB COC(=O)[C@@H]1NS(=O)(=O)c2ccc(Cl)cc2[C@]1(O)c1ccccc1 67244943 VSAUTXCFBDZUPA-GOEBONIOSA-N 367.810 1.409 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1=O 7653449 BVHXKLQJPLRLRA-IBGZPJMESA-N 374.441 1.387 0 40 FDAB CC(C)N(CCS(=O)(=O)c1ccc(Br)cc1)CC(N)=O 8532784 YGDRMDJSRAKKQM-UHFFFAOYSA-N 363.277 1.419 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C(=O)O)c(F)c1 78902700 YBEKBOIBZNHGIB-AWEZNQCLSA-N 364.354 1.129 0 40 FDAB NC(=O)[C@H]1CC[C@H](C(F)(F)F)N(CC(=O)NCc2ccc(F)cc2)C1 79075078 UNLBJCASCGIPDR-WCQYABFASA-N 361.339 1.570 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1OC 75110536 GNROARBKBHXWQA-QWHCGFSZSA-N 354.472 1.916 0 40 FDAB Cc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)c1 56997726 JSVFGYNLBFMLIK-UHFFFAOYSA-N 366.465 1.872 0 40 FDAB COCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 72265442 UDNCFIVCAZYWEZ-SJORKVTESA-N 366.483 1.347 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218346127 WHFOXFFJNLWRJE-STQMWFEESA-N 358.387 1.449 0 40 FDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1nnc(C2CC2)s1 72401274 STEYKJHRYCHCCO-UHFFFAOYSA-N 350.795 1.786 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COc1cn(C)c(C)cc1=O)CC2 72324744 GXXAAWHFHDLBCU-UHFFFAOYSA-N 372.421 1.675 0 40 FDAB biogenic CNC(=O)/C=C/c1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1 223286345 OQUZBAWPVUCLIS-KPKJPENVSA-N 374.462 1.975 0 40 FDAB CSc1nnc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)s1 222889856 NUMCHITYSJACOX-SNVBAGLBSA-N 372.497 1.831 0 40 FDAB CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 222558160 MRYWPRXCBGAQBU-AWEZNQCLSA-N 368.455 1.402 0 40 FDAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCN(c2ccccn2)CC1 225709716 GPSVWDWQAOVXNQ-INIZCTEOSA-N 354.410 1.607 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1cccnc1 96240152 SGRVYOLFOPTCNE-IBGZPJMESA-N 354.410 1.111 0 40 FDAB CS(=O)(=O)N1CCCc2sc(C(=O)NCc3cccnc3)nc21 96264667 JVPQOTBCLOHSFI-UHFFFAOYSA-N 352.441 1.180 0 40 FDAB Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)c1 96225650 VSNQHJQIXGLIHV-JXFKEZNVSA-N 371.437 1.651 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96229028 WVHFCOFIWFUEQW-QGZVFWFLSA-N 351.472 1.493 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1C 533550936 VGHZDCRUNDHTHD-UHFFFAOYSA-N 350.400 1.658 0 40 FDAB Cn1cccc1C(=O)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96059585 GVHXDCMFHJANBV-UHFFFAOYSA-N 355.442 1.224 0 40 FDAB O=C1COC2(CCN(CC3CCOCC3)CC2)CN1Cc1ccccn1 96159111 RIMULYAQGAVCAO-UHFFFAOYSA-N 359.470 1.702 0 40 FDAB CS(=O)(=O)NCCCN(Cc1nccs1)[C@H]1CC12CCNCC2 583623246 ZJJKRCRLQYOJGZ-ZDUSSCGKSA-N 358.533 1.027 0 40 FDAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cnc[nH]c2=N)C1 583617901 HGJFWNFDYPOWIG-VIFPVBQESA-N 354.336 1.661 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1nccs1)C2 96039761 BBWJJVMWFKHJQI-WMLDXEAASA-N 353.488 1.619 0 40 FDAB CCc1nccn1CC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257234850 GVIYIZWSNOJMOE-MRXNPFEDSA-N 356.417 1.140 0 40 FDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3cccnc3)CCN21 253406820 VAMGNXYRRATOAV-VXKWHMMOSA-N 366.509 1.835 0 40 FDAB biogenic,in-vitro CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1 257252403 JURDPWBZRKFQQN-CQSZACIVSA-N 355.442 1.620 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3ccccc3F)c2)CCO1 257229006 FWFDPSUOIBVVKE-LJQANCHMSA-N 357.385 1.528 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCC(=O)O)C2)c2cnccc2n1 257207018 BFZCDTOZNTYODC-LJQANCHMSA-N 372.425 1.203 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)c2ccccc21 257304175 SKJJILBAJYMKHL-OALUTQOASA-N 357.454 1.476 0 40 FDAB O=C1CCc2cc(OCC(=O)NS(=O)(=O)c3cccs3)ccc2N1 42244115 OZHORBPCGZYIGB-UHFFFAOYSA-N 366.420 1.517 0 40 FDAB Cn1cc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 257310550 UFOLITVJGYWMEE-SFHVURJKSA-N 362.405 1.404 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCCCc4ccccc43)cc2[nH]c1=O 615212304 JEGOWDNYWYPVLQ-UHFFFAOYSA-N 371.418 1.748 0 40 FDAB Cn1cc(NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c(C(F)F)n1 1123457019 PHUNSXPQTGRKGQ-OKILXGFUSA-N 362.402 1.646 0 40 FDAB Cc1nc(C)c(CCNC(=O)c2cnn(-c3ccc(O)nn3)c2C)s1 594674408 AHFUZWQBHAHBGC-UHFFFAOYSA-N 358.427 1.722 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 655600344 CYWIAEIGLLMEQB-PMPSAXMXSA-N 368.389 1.768 0 40 FDAB O=C1NC(=O)C2(CCC(NC(=O)c3ncccc3C(F)(F)F)CC2)N1 672311863 OQNYPBXTTZNDBL-UHFFFAOYSA-N 356.304 1.351 0 40 FDAB COc1cc(C)nc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 605146984 QGNVFYHPWIUOJE-UHFFFAOYSA-N 362.455 1.695 0 40 FDAB O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1CCC[C@H](c2noc(C3CC3)n2)C1 611811337 AEHCPLLUJQZLFT-OWCLPIDISA-N 371.441 1.955 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C 96362611 UBEKBNPBUBAMEH-OAHLLOKOSA-N 351.428 1.296 0 40 FDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1-n1cccn1 52845255 WVAUBTVPICQYQJ-IBGZPJMESA-N 372.494 1.810 0 40 FDAB CCc1noc(CN(C)CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1 58218456 SVNOOBAUFVRDIQ-UHFFFAOYSA-N 359.430 1.469 0 40 FDAB CCn1cc(CN2CCCN(C(=O)c3cnc(N(C)C)cn3)CC2)cn1 678347437 FUHLQHRTRKXSFN-UHFFFAOYSA-N 357.462 1.107 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)SC1=S 8114051 NQRACSSTBDCWQR-QCDXTXTGSA-N 367.404 1.798 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C[C@H](C)O1 12142803 OUFQCDIPYNLPJW-KBPBESRZSA-N 356.426 1.715 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 15421685 WIFVKOHFSUJQKT-UHFFFAOYSA-N 355.350 1.742 0 40 FDAB Cc1sc2ncn(CC(=O)Nc3sccc3C(N)=O)c(=O)c2c1C 16619665 LSDMOEJJFJXUOS-UHFFFAOYSA-N 362.436 1.874 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)C3CCC3)c3ncccc23)C1 19016452 HUYTWTRPNCLCTQ-HNNXBMFYSA-N 355.442 1.683 0 40 FDAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500704 NLDPJKAUWOWACW-NEULZYRMSA-N 350.802 1.537 0 40 FDAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19501640 LPPCGZIOYBXCOV-INIZCTEOSA-N 372.469 1.918 0 40 FDAB CC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694746 SZRZRLNSGGSBKX-HNNXBMFYSA-N 353.426 1.644 0 40 FDAB Cn1cccc1[C@@H](O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206697621 WGYSCPGZKXHCHD-LBPRGKRZSA-N 358.366 1.485 0 40 FDAB O=C1CN(C2CCN(c3ncncc3F)CC2)C(=O)N1CC(F)(F)F 1888844387 QXIXLWXUYAZLAH-UHFFFAOYSA-N 361.299 1.411 0 40 FDAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1c[nH]c(=O)[nH]1 238812616 ARDIIVUMXATEET-UHFFFAOYSA-N 358.427 1.553 0 40 FDAB Cc1ccc(OCC2(O)CCN(CC(=O)N3CCOCC3)CC2)cc1C 2037916098 NLZUGSZLESHNJQ-UHFFFAOYSA-N 362.470 1.368 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)C4CC(O)C4)C2)CO3)cn1 1614934728 SMVQGSXGQAQEDU-QJXPYNDKSA-N 353.422 1.721 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)n[nH]1 1565554693 XIRWCRPPJNBAFP-KBPBESRZSA-N 366.425 1.414 0 40 FDAB Cc1nc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)cs1 1565549025 LQTZUUYYMSHQJE-YOEHRIQHSA-N 365.499 1.793 0 40 FDAB Cc1ccccc1CC(=O)N1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055771807 AALUJCHTWNJFBF-FQEVSTJZSA-N 354.454 1.840 0 40 FDAB COc1ccccc1OCC(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225399888 BMKULFQMDDDUML-AWEZNQCLSA-N 372.425 1.610 0 40 FDAB CN(C[C@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 225791165 OAQOAHKQGVMOJZ-CQSZACIVSA-N 374.418 1.883 0 40 FDAB COc1ncc(C(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)cn1 575614962 ANLHKVRVGORXMM-AWEZNQCLSA-N 365.393 1.672 0 40 FDAB CC(=O)N[C@@H](CC(=O)NC1CCN(c2ncccn2)CC1)c1cccs1 40106644 PKQXCGJBEXVRAD-HNNXBMFYSA-N 373.482 1.891 0 40 FDAB COc1cc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)cc(OC)c1OC 20744915 YWGGPFMBRCCMKX-JTQLQIEISA-N 361.358 1.134 0 40 FDAB COc1cc([C@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc(OC)c1OC 101413805 SAYQUPKFJHYXLH-GFCCVEGCSA-N 357.362 1.872 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 32492721 DREFMMWUOGRLGR-CQSZACIVSA-N 365.389 1.743 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1OC 2636952 LIBKNWGVTFHIBH-GOSISDBHSA-N 364.398 1.813 0 40 FDAB O=C(O)c1ccccc1C(=O)NC(Cc1ccccc1)(C(=O)O)C(=O)O 1561985 HNKGPAFORKQASZ-UHFFFAOYSA-N 357.318 1.265 0 40 FDAB CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2508275 LMNISZPMTXRXKN-ROUUACIJSA-N 370.405 1.252 0 40 FDAB CC(C)C(=O)Nc1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 32895870 PNZDYULFXVBQOW-OKILXGFUSA-N 369.487 1.725 0 40 FDAB COc1ccc(OCc2noc(CN3CCN(C(=O)C(C)C)CC3)n2)cc1 32868778 NHZNOXHKMAEETE-UHFFFAOYSA-N 374.441 1.957 0 40 FDAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 6879898 IONLOJWHDVMFMO-OAHLLOKOSA-N 373.453 1.567 0 40 FDAB Cc1cccc(C)c1NC(=O)C(=O)[C@H]1C(=O)N(c2ccccc2)N=C1N 102983062 RPHKOCZBRJWBHH-CQSZACIVSA-N 350.378 1.746 0 40 FDAB CCS[C@@H]1CCCCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 75610588 LOAMABXCLSQWMO-MRXNPFEDSA-N 357.564 1.821 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N(C)C 32925736 WHORYKNQNLCOCU-GFCCVEGCSA-N 362.398 1.526 0 40 FDAB COC(=O)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(F)cc1 52870361 KGFUSNHPKDXBQK-ZDUSSCGKSA-N 350.346 1.085 0 40 FDAB CC1CCN(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)CC1 47266829 UTNZHBRFAUGCIB-UHFFFAOYSA-N 353.444 1.710 0 40 FDAB CC(=O)Oc1c(C(=O)c2nnc(C)o2)c(=O)n2c3c(cccc13)CCC2 704404 IMODIVGBZPYAKB-UHFFFAOYSA-N 353.334 1.795 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 22871284 RQWGEUZZMVASKK-CQSZACIVSA-N 363.458 1.895 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 9256378 TWVPCSJTAKOVOQ-LBPRGKRZSA-N 365.367 1.427 0 40 FDAB CNC(=O)C1CCN(C(=O)CCc2c(C)nc(SC)nc2C)CC1 23180768 BVRTVPHQUKVXKE-UHFFFAOYSA-N 350.488 1.733 0 40 FDAB CCn1c(SCC(=O)O)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 72328122 XVBYKARQVLIPER-JTQLQIEISA-N 364.427 1.974 0 40 FDAB CNC(=O)COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 55857469 BGLYODHSXFXJTB-QGZVFWFLSA-N 368.389 1.209 0 40 FDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 51357055 DCDLQESVGMUGAB-UHFFFAOYSA-N 371.345 1.675 0 40 FDAB O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCc1cccs1 27455418 ZQDVJLFKDAXNMG-UHFFFAOYSA-N 361.442 1.961 0 40 FDAB Cc1nc(N2CCCC2)[nH]c(=O)c1CC(=O)N(Cc1ccccn1)C1CC1 58173040 XBVYNPMZDYLCKB-UHFFFAOYSA-N 367.453 1.807 0 40 FDAB Cc1noc(C2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)n1 61865596 HKQDOLAOOLFGHK-HNNXBMFYSA-N 371.445 1.726 0 40 FDAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCC(C)CC1 58418138 FWLDUVHDFDIWNT-LOIXOFCESA-N 364.364 1.635 0 40 FDAB CN(C)S(=O)(=O)N1CCN(CCc2ccccc2C(F)(F)F)CC1 36383276 SWHMUKMIZPZSMZ-UHFFFAOYSA-N 365.421 1.672 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2OC(F)F)n(C)c1=O 10999295 INWAZQJJPFVOSU-UHFFFAOYSA-N 370.743 1.737 0 40 FDAB COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 12719944 CCLMPOMLXAQFJE-UHFFFAOYSA-N 353.382 1.301 0 40 FDAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 48364159 DQIOZSVUOFYWIE-LLVKDONJSA-N 365.817 1.616 0 40 FDAB CCN(CC)[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1 48365813 AZDVTZZTSXUHFK-QGZVFWFLSA-N 372.473 1.179 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 12984921 GHQRDWPVOFIASD-UHFFFAOYSA-N 368.437 1.388 0 40 FDAB Cc1cc(C)n(-c2ccc(S[C@H](C)c3nc(N)nc(N(C)C)n3)nn2)n1 12933563 ACYFTKRNOWAUJM-LLVKDONJSA-N 371.474 1.966 0 40 FDAB CN(C)C(=O)N1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306129721 IKXOUXNDGBGKOH-CQSZACIVSA-N 358.446 1.427 0 40 FDAB O=C(NCc1ccc(OC(F)F)cc1)c1cnc2n(c1=O)CCS2 14137032 GELPHDJLGVVBPE-UHFFFAOYSA-N 353.350 1.880 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 14237242 JZOXLQDOAPWLPN-SECBINFHSA-N 365.238 1.027 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)C1CC1 7289677 IRQCYUOSBNHTMC-MLCYQJTMSA-N 359.382 1.097 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)NCc1ccc(F)cc1 7348808 KNWPEHXZTPRJKA-ZDUSSCGKSA-N 366.418 1.298 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)o1 97164863 ZHNKGPUGDSYVQR-UHFFFAOYSA-N 351.262 1.676 0 40 FDAB CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1nnnn1-c1ccccc1)C2 67910168 OUEJSRKNYHTNPP-GFCCVEGCSA-N 367.413 1.224 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@@H]3C(=O)N(C)C)CC2)c1 22516555 XVTWSZNTGMSZDC-LJQANCHMSA-N 372.513 1.192 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 68533534 UBYBDLVNQLMTEX-JSGCOSHPSA-N 357.435 1.788 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(c2cc(C)nc4ncnn24)C3)n1 306132183 LBBHRYOOZIBPHW-CQSZACIVSA-N 367.413 1.348 0 40 FDAB NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc3[nH]cnc23)cc1 9419316 QGQFQLTYJHSBRN-UHFFFAOYSA-N 352.807 1.308 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 9750501 QAMKNVZVOOPBNW-LLVKDONJSA-N 359.386 1.418 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccsc2)NC(=O)N[C@@H]1C 8392661 YXSQOFYWSAXZFY-SNVBAGLBSA-N 352.412 1.742 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN1CSCC1=O 8388769 RFRLTWSUWXGQMI-UHFFFAOYSA-N 358.467 1.980 0 40 FDAB Cc1c(S(=O)(=O)N2CCSC[C@@H]2CO)cnn1-c1ccc(F)cc1 95461959 HJHRIPKULQXKLT-AWEZNQCLSA-N 371.459 1.418 0 40 FDAB CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCS(=O)(=O)C1 75325200 DPCKTDXRHHJJMQ-QZTJIDSGSA-N 364.511 1.792 0 40 FDAB Cn1ccnc1[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 23774597 LPFQHKNRUPTMPQ-QGZVFWFLSA-N 359.393 1.915 0 40 FDAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cc(C)ccc1C 20029431 FBCHKLHVUMXZMV-KRWDZBQOSA-N 359.426 1.417 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 38771248 AJUOMFQMEXKJBN-ZDUSSCGKSA-N 355.460 1.461 0 40 FDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217466768 AHRWANBKWDNLCQ-UHFFFAOYSA-N 360.432 1.148 0 40 FDAB O=C(O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)[nH]c1=O 217384280 OBKGUHRMJKSJOT-UHFFFAOYSA-N 374.172 1.031 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(N)CN)cc1 218168925 PTPFNGVQICZZJF-KSZLIROESA-N 360.435 1.320 0 40 FDAB Cn1cccc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c1=O 75157886 LPLPUEWFVVUJQO-UHFFFAOYSA-N 358.423 1.389 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCC2CC2)n1 36366844 HVIJOCJTGXPBRC-UHFFFAOYSA-N 358.354 1.177 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)c1 225515104 YTTADVSWWKVFCX-STQMWFEESA-N 354.410 1.445 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@H]2C=C[C@]12Br 45070668 YRQQPLLKJDBYHM-NFFDBFGFSA-N 358.195 1.786 0 40 FDAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC(=O)OC)C12CCCC2 85877735 DUIIHZPPTVPHBB-QGZVFWFLSA-N 374.437 1.474 0 40 FDAB biogenic CCNC(=O)CNC(=O)Nc1ccc(C)c(I)c1 40103606 ULQRUNNLWBDJNV-UHFFFAOYSA-N 361.183 1.857 0 40 FDAB O=C(c1cccnc1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96048938 RDHKJJTVAISRJJ-UHFFFAOYSA-N 352.438 1.984 0 40 FDAB CC(C)CC(=O)N1CCN(C(=O)NC(C)C)C[C@@]2(CC(=O)N(C)C2)C1 96143449 PDZJQKDITOHIMY-GOSISDBHSA-N 352.479 1.143 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3nccs3)C2)CN1c1ccccc1 96051267 BIQNAZMOXPYGHL-SFHVURJKSA-N 359.451 1.778 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(CC(F)(F)F)c2ccccc21 331981380 MKTHZWKNMLKRDP-LLVKDONJSA-N 362.373 1.837 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1ccco1)C2 96061953 XLWUSSWVJJFGSA-UHFFFAOYSA-N 353.382 1.401 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cc(C)on3)C2)O1 96209800 OYCAJOITBMBJNB-JKSUJKDBSA-N 357.476 1.436 0 40 FDAB Cc1nc(CN2CC3(CCN(c4ncccn4)CC3)OCC2=O)cs1 96159100 GJYVXCAVJCYBSZ-UHFFFAOYSA-N 359.455 1.640 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 583623768 GWTPUJGAZJNRCL-ZBQZNYHESA-N 374.437 1.865 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1cccn1C)C2 96237678 VESIHVIMFOUEFA-GOSISDBHSA-N 358.467 1.650 0 40 FDAB CC(=O)NCC(=O)N1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 257207046 BGCVZHHDLAZZCD-IKGGRYGDSA-N 361.417 1.663 0 40 FDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257283422 OYGDSZZTMQWPGO-KRWDZBQOSA-N 356.474 1.876 0 40 FDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]21 257203328 APOHHFRKAZVLLN-VNQPRFMTSA-N 359.455 1.407 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@@](O)(c1ccco1)c1cccs1 253473624 WUFLFKNNVJRXQL-QGZVFWFLSA-N 360.391 1.603 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)Cc2c(C)nn(C(C)C)c2C)C1 644033369 RMOKPSSHRIVWPY-SFHVURJKSA-N 350.463 1.113 0 40 FDAB CCc1sc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cc1C 681941964 SQMRHGLIYKBNOC-CYBMUJFWSA-N 368.455 1.393 0 40 FDAB Cn1nnc2ccc(NC(=O)c3c[nH]c4c(F)cccc4c3=O)cc2c1=O 604418717 PDAINGQHNSDUJB-UHFFFAOYSA-N 365.324 1.561 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N2Cc3ccc(OC)cc3C2)[C@H]1c1nccn1C 1615590402 OEWNYPWBQLSZGO-WMZOPIPTSA-N 368.437 1.881 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccc(F)c3)C2)OC1 585103916 DQKHMESOLUMHGE-HNNXBMFYSA-N 356.463 1.746 0 40 FDAB CC(C)C[C@H](NC(=O)CSc1nnc2[nH]c3ccccc3n12)C(=O)O 12554135 LJYGIOOLEHYLEO-NSHDSACASA-N 361.427 1.918 0 40 FDAB O=C(CN1CCSC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 14701179 GLZOQPGDKCXQOO-HNNXBMFYSA-N 367.446 1.484 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@@H](C)N4CCCC4)C3)ncc2C1 19077729 PXYVXLWBKSCFCA-ZBFHGGJFSA-N 371.485 1.181 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CCO[C@@H](C(=O)N2CCCCCC2)C1 19747397 PABRVFIWUFOWQX-MRXNPFEDSA-N 374.466 1.935 0 40 FDAB C[S@](=O)C1(CNC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)CC1 503365799 UCQSATBHZLWCQL-IGMCBMAUSA-N 358.410 1.693 0 40 FDAB CC(=O)N[C@]1(c2nc(C)no2)CCN(c2nccc(C(F)(F)F)n2)C1 643693557 QGMRUQBEZCNGTI-CYBMUJFWSA-N 356.308 1.429 0 40 FDAB O=C(c1cncc(O)c1)N1CCC(COc2ccc3nccn3n2)CC1 1888880092 ZSWINYGGYTXFIS-UHFFFAOYSA-N 353.382 1.761 0 40 FDAB Cc1ccn2cc(C(=O)O[C@@H](C)C(=O)Nc3sccc3C(N)=O)nc2c1 20975456 MVWXTBDKZMWQQI-JTQLQIEISA-N 372.406 1.987 0 40 FDAB Cc1ccc(OCC2CCN(C(=O)c3ccc(=O)n(C(C)C)n3)CC2)nn1 1775995428 VNHLYSASXTVROP-UHFFFAOYSA-N 371.441 1.854 0 40 FDAB O=C(N1CCC2(CC1)COCCN(CCN1CCCC1)C2)C1(F)CCC1 1565544505 MKRCCTDYLCUVPS-UHFFFAOYSA-N 367.509 1.915 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3[nH]c(=O)cc(C)n23)c1 4249915 WBNUBJZZPCFTIK-UHFFFAOYSA-N 372.410 1.415 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 5353133 BNYVODRVGZKIDY-MRXNPFEDSA-N 362.426 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CC[C@H](CNC(=O)CN1CCN(CC(=O)N(C)C)CC1)c1ccccc1 22912259 JWVFCEITINZVTI-QGZVFWFLSA-N 360.502 1.002 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)CCN3C(=O)COc4ccccc43)C2)n1 54663243 RWFDUMHHUPAYLM-AWEZNQCLSA-N 370.409 1.900 0 40 FDAB COc1ccc(OCCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12402588 YXNFPCOMKYKLQE-YOEHRIQHSA-N 350.440 1.644 0 40 FDAB COCCNC(=O)NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24358312 PSKOXGWBEKOVSC-UHFFFAOYSA-N 350.419 1.555 0 40 FDAB CC(C)[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@H](C)O[C@H](C)C1 106153718 JVSIXBYAROMUFQ-IXDOHACOSA-N 361.490 1.259 0 40 FDAB NC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCCC2 3270052 NLXPMSCINNLQOQ-UHFFFAOYSA-N 359.407 1.916 0 40 FDAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2-n2cnnn2)CC1 58192833 RAJBMXRIXVDWMH-UHFFFAOYSA-N 372.429 1.792 0 40 FDAB Cc1nnc2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cn12 58160249 PUYDTMSWHHKXES-UHFFFAOYSA-N 359.386 1.353 0 40 FDAB Cc1c(NC(=O)[C@H](C)Sc2nnnn2C)c(=O)n(-c2ccccc2)n1C 3229140 OZTRADPSYSRICK-NSHDSACASA-N 373.442 1.127 0 40 FDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O 58244473 NXEBSQKAWBLZAP-INIZCTEOSA-N 366.805 1.343 0 40 FDAB CC[C@H](C)NC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20573220 MYBNVOZHVQVHGD-NSHDSACASA-N 351.428 1.473 0 40 FDAB COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1cccs1 48237164 NFTQIVPDXQHIRL-ZYHUDNBSSA-N 350.396 1.880 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1 48288998 QWQSINBKMPCKDF-UHFFFAOYSA-N 354.453 1.871 0 40 FDAB Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 12748468 DYGABPQWTDJLPV-LBPRGKRZSA-N 366.425 1.777 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H]2C[C@@H](C)OC2=O)ccc1F 12904188 UVRZGFTXFUMIMD-MFKMUULPSA-N 373.402 1.717 0 40 FDAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 12979087 XVNFVKHWXNAURG-UHFFFAOYSA-N 368.480 1.933 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 8747732 PLPVPDFSRDZIJO-IBGZPJMESA-N 359.426 1.721 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1OC 3881896 FVDHBXQOSUJIFW-JNNRSPCRSA-N 359.378 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O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2cccc(O)c2)CC1 676333594 RXZVKUAWSFSWSS-UHFFFAOYSA-N 368.437 1.919 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 681943885 PEKMOUBUEUAWCR-INIZCTEOSA-N 371.393 1.009 0 40 FDAB Cc1nnc(N2CCN(C(=O)CCc3ccsc3)CC2)c(C(N)=O)c1C 1251659998 MOZJLVWFFDTREC-UHFFFAOYSA-N 373.482 1.535 0 40 FDAB CN1CCC(N2CC[C@H](NC(=O)N3CC(=O)Nc4ccccc4C3)C2)CC1 654447498 YCJVMECDTOYHLI-INIZCTEOSA-N 371.485 1.319 0 40 FDAB CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 575424080 RTPPSWNKBSSNSN-CQSZACIVSA-N 355.456 1.786 0 40 FDAB Cc1cc(CC(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)ccn1 585279417 YVICIGDRXRCIGH-FQEVSTJZSA-N 358.413 1.904 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)Cc3ccncc3)C2)c1 585278322 RVPNNPDENLBARE-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB O=C(CNC(=O)[C@@H](c1ccccc1)N1CCSCC1)NCc1ccco1 58264582 YAJIYYASRPPYKC-GOSISDBHSA-N 373.478 1.802 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(C)c4ccccc4C3)cc12 69162191 CZPDEXNGDRZQDK-UHFFFAOYSA-N 371.466 1.917 0 40 FDAB CC[C@]1(O)CCN(C(=O)C(=O)Nc2c(C)cc(C(=O)OC)cc2Cl)C1 500240531 NTUMDFTYBLWNLL-KRWDZBQOSA-N 368.817 1.747 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)NCc2nc3ccc(F)cc3[nH]2)cnn1C 649332332 TZSIBVSQFSOOLV-KGLIPLIRSA-N 356.405 1.363 0 40 FDAB CCOCC(=O)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615155886 AEHKYTRAGXJGHQ-ZWKOTPCHSA-N 365.470 1.769 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 12087150 BCQHXJSNEJOSQL-ICSRJNTNSA-N 358.438 1.968 0 40 FDAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CCS(=O)(=O)C1 14069512 VRSRDMAHKKFRBX-SNVBAGLBSA-N 369.468 1.158 0 40 FDAB CCN1C(=O)[C@]2(N=C(N)NC(Nc3ccc(F)cc3)=N2)c2ccccc21 19330813 JROVQNRKWSCTSE-SFHVURJKSA-N 352.373 1.731 0 40 FDAB CC(=O)N1CCc2nnc([C@@H]3CCCN3C(=O)C3CCCCC3)n2CC1 19710728 JKGVLCICKCDMOC-INIZCTEOSA-N 359.474 1.927 0 40 FDAB CCn1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(-c2cnn(C)c2)n1 606442666 LVXBMOLOBRMAJH-GOSISDBHSA-N 359.430 1.325 0 40 FDAB CO[C@@H]1COC[C@@H](CNCc2cc(Cl)c3c(c2)OCCCO3)[C@@H]1O 643585467 NHZWNVYCFFGFKS-WQVCFCJDSA-N 357.834 1.613 0 40 FDAB CCCC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694099 KUIHMHQDCMVNDK-UHFFFAOYSA-N 359.426 1.779 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12126575 ONZMGGXAILLVEG-SECBINFHSA-N 365.319 1.886 0 40 FDAB Cc1nnc(N2CC[C@@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)s1 1888868611 PUPRBGGIGBXFHE-LLVKDONJSA-N 363.468 1.506 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1 1889136213 GMYZXGWRJPXTKA-LBPRGKRZSA-N 350.419 1.820 0 40 FDAB O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccccc2F)CC1 13573015 LQDVMDCFYFNULO-UHFFFAOYSA-N 372.429 1.933 0 40 FDAB O=C(CN1CCC[C@@]2(CCCN(C(=O)C3=COCC3)C2)C1)N1CCCC1 2056224295 VIXNKWRJFVQLEE-HXUWFJFHSA-N 361.486 1.618 0 40 FDAB CSc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1 11791987 AYPAJBMDFQAGCE-UHFFFAOYSA-N 352.441 1.701 0 40 FDAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 19799422 GCTWDCWOQMXUTP-NWDGAFQWSA-N 356.831 1.596 0 40 FDAB biogenic O=c1ccc(-n2cccn2)nn1CC1CCN([C@H]2CCCC[C@@H]2O)CC1 585501186 BNROBEKCOKCXJQ-IRXDYDNUSA-N 357.458 1.445 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H]3CCCNC3)C2)C1 12123023 OYMZQVUMGOIAEN-UWJYYQICSA-N 371.481 1.788 0 40 FDAB CCn1cc(CN(C)C(=O)c2ccc3c(=O)n(CC)c(=O)[nH]c3c2)cn1 72890684 JXXCZHOWHQKPJI-UHFFFAOYSA-N 355.398 1.198 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)c1cn(Cc2ccccc2)nn1 31227439 CEGULYGRGLWJDF-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(-n3cnnn3)c2)c1 20426878 ZEODOQOCFVHLEM-UHFFFAOYSA-N 373.394 1.414 0 40 FDAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3ccccn3)n2)cc1 20721430 OHFVKXNVCXAODE-UHFFFAOYSA-N 367.365 1.001 0 40 FDAB CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 4875302 CLEIHIUIIPHFGU-KRWDZBQOSA-N 356.474 1.954 0 40 FDAB COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 4995752 HSXWZTUEUMROFY-UHFFFAOYSA-N 362.451 1.953 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@@H]1C(=O)O 6393381 NPJMCPOOMPMAMR-BREBYQMCSA-N 356.350 1.210 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)NC[C@@H](C(CC)CC)N1CCOCC1 58440490 QXYOAVOKAPYNGW-HOCLYGCPSA-N 356.511 1.337 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cccc(S(C)(=O)=O)c2)CC1 21970382 LXYMNZDIVSRKIN-UHFFFAOYSA-N 354.428 1.441 0 40 FDAB CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8253944 NGTAXMJITFFPSP-XHSDSOJGSA-N 354.458 1.575 0 40 FDAB biogenic,in-vitro C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 8303991 WUOKGNHEQNAYTG-AWEZNQCLSA-N 371.462 1.987 0 40 FDAB O=C(NN1C(=O)c2ccccc2C1=O)C1=NN(c2ccccc2)C(=O)CC1 8315992 MORFCEMJFBKITN-UHFFFAOYSA-N 362.345 1.497 0 40 FDAB Cc1nonc1NC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100751210 WQYFLTFEZWFIKE-CHWSQXEVSA-N 360.389 1.970 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 22758487 SMWZYPXNFQRFSB-CYBMUJFWSA-N 370.471 1.629 0 40 FDAB C[C@@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O 941599 YWHCHMLKLMOZPZ-LBPRGKRZSA-N 352.346 1.853 0 40 FDAB COc1cccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)c1 175527328 MGOAYXVCCSCFBW-HZPDHXFCSA-N 374.485 1.961 0 40 FDAB COC(=O)c1ccc2c(c1)CCN2C(=O)CN1C(=O)COc2ccccc21 25181955 KXJIKRVPFDRKAW-UHFFFAOYSA-N 366.373 1.788 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1F 57426484 HUKIVQZSKQIZIU-UHFFFAOYSA-N 363.370 1.548 0 40 FDAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NC1CC1 57866562 XKGWENZFBPKXSA-UHFFFAOYSA-N 373.482 1.534 0 40 FDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)s1 58209838 HPSNAEDKYFTONM-UHFFFAOYSA-N 373.485 1.164 0 40 FDAB CNC(=O)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1Cl 58208498 YKJUCTREFXRAEC-UHFFFAOYSA-N 370.800 1.857 0 40 FDAB CC1CCN([C@@H](C)CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 58209753 FEMRYLQBBHSZKE-HNNXBMFYSA-N 372.469 1.317 0 40 FDAB COc1ccc2c(CC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)coc2c1 67815545 XUWYRULHZFPTBL-ZDUSSCGKSA-N 366.439 1.524 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O 3369226 IVVMZYSAOPFGBH-QWHCGFSZSA-N 367.446 1.335 0 40 FDAB CN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12764775 DLOWRWZPLXESOB-NSHDSACASA-N 370.475 1.834 0 40 FDAB COCCOCCCNS(=O)(=O)c1cc(OC)c(OC)cc1F 45798533 ZYCIUDPACUFILP-UHFFFAOYSA-N 351.396 1.174 0 40 FDAB CN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(F)cc1 12807890 AHVJEDIVWRHCEU-CQSZACIVSA-N 357.385 1.934 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1cn2ccc(C)cc2n1)c1ccccc1 5165639 WIMMTVQXLRRCQR-MRXNPFEDSA-N 366.377 1.996 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2cnc3sccc3c2=O)n1 49961299 UBLLIZCFXPVECW-UHFFFAOYSA-N 364.408 1.730 0 40 FDAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C1=NNC(=O)CC1 4334298 GZKHHUWBHWVLFV-MRVPVSSYSA-N 353.762 1.485 0 40 FDAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N 4435585 ACSZYWJZEOEJLO-UHFFFAOYSA-N 366.381 1.760 0 40 FDAB aggregator C[C@H]1C[C@@H](C)CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 14187350 SWXCQUHFMXTVCG-BETUJISGSA-N 351.472 1.201 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 14231863 KRYSFVHCLYPWQF-UHFFFAOYSA-N 367.254 1.810 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1 14253128 KQAVAUGLYDLSDP-SNVBAGLBSA-N 367.383 1.075 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)COc2cccc(C)c2)c(=O)[nH]c1=O 6507718 MLKZMNRGXYUCCR-UHFFFAOYSA-N 374.441 1.659 0 40 FDAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NC[C@H]1CCCO1 6664319 WNKFGAUCJCOICO-CYBMUJFWSA-N 357.414 1.251 0 40 FDAB CC(=O)N[C@@H]1C(=O)N(CCS(=O)(=O)c2ccccc2)c2ccccc21 6756961 VJYNXHWQZGXJOP-KRWDZBQOSA-N 358.419 1.684 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCc3ccccc32)cc1 5701016 MMNKBNFDHNJDJM-UHFFFAOYSA-N 373.478 1.446 0 40 FDAB CCn1nnc2cc(C(=O)OCc3cc(=O)n4ccsc4n3)ccc21 5805013 UPGKSFUTAONDEF-UHFFFAOYSA-N 355.379 1.878 0 40 FDAB Cc1noc(CCNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 67081713 AWTYJDDKBATRQS-AWEZNQCLSA-N 352.341 1.982 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 6985477 ZARYXAPZGJDUJZ-UHFFFAOYSA-N 360.241 1.754 0 40 FDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 5966029 YMPLJJAPQYRPHB-UHFFFAOYSA-N 367.471 1.053 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(N)=O)CC1 7240239 PSSXHUBFVYIOCR-CQSZACIVSA-N 360.458 1.048 0 40 FDAB CCn1c(SCC(=O)NC2CCC(C)CC2)nnc1N1CCOCC1 7723116 FFYFTZHAWXZEMN-UHFFFAOYSA-N 367.519 1.922 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c(C)noc2C(C)C)NC(=O)N[C@H]1C 8394775 FNXOEJIDRKYARW-VIFPVBQESA-N 365.386 1.782 0 40 FDAB CCC(CC)[C@H](C(=O)NCCCOC[C@H]1CCOC1)N1CCOCC1 95401917 OFFLDQVGDJOBDP-SJLPKXTDSA-N 356.507 1.683 0 40 FDAB C[C@@H](OC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)Nc1ccc(C(N)=O)cc1 95454608 JCVNKNUBQBFKOG-ADLMAVQZSA-N 361.398 1.105 0 40 FDAB O=S(=O)(C1CC1)N1CCC(NCc2cccc3c2OCCCO3)CC1 84961795 XRFZNDUHNWELBP-UHFFFAOYSA-N 366.483 1.894 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CCOC[C@H]3c3ncon3)c2O1 95981395 HXZJMOJBPMGLNH-ZDUSSCGKSA-N 359.382 1.762 0 40 FDAB NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 89827803 SXMPACJHBYNQEN-LSDHHAIUSA-N 357.410 1.458 0 40 FDAB Cn1cc(CN2CCOC[C@H](Oc3ccc(S(C)(=O)=O)cc3)C2)cn1 77265892 HVDTVKIUAWQIHL-MRXNPFEDSA-N 365.455 1.103 0 40 FDAB biogenic,in-vitro O=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396705 SJARDKYRXOVTJE-CQSZACIVSA-N 370.471 1.364 0 40 FDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(CC3CC3)c2)[C@@H]1c1ccc(F)cc1 72252012 QPKQMXJSBUAURM-ROUUACIJSA-N 372.400 1.969 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)C(=O)O 218204366 IXKAONPVWWUNET-DMDPSCGWSA-N 362.245 1.379 0 40 FDAB COCCCN1C[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O 36734547 FKPBSNITTRNMMP-MSOLQXFVSA-N 359.470 1.387 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)no1 40288020 SFUOSYPGBROQOM-GRYCIOLGSA-N 357.370 1.489 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1cccnc1C(=O)O)c1nc(C2CC2)no1 565477405 FGRQMAUOPXQNCP-NSHDSACASA-N 366.399 1.716 0 40 FDAB NC(=O)CNC(=O)c1ccc(CNC(=O)NCc2ccc(F)cc2)cc1 40151579 NZNQCRZMEPSEQV-UHFFFAOYSA-N 358.373 1.040 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cc3ccc(OC)cc3oc2=O)CC1 226043241 CXHLTYJFSZQEPU-UHFFFAOYSA-N 360.366 1.716 0 40 FDAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958122 IQSHPXWMGFEOLG-JTQLQIEISA-N 368.231 1.124 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)N=C(O)CO3)cc1 95479494 AVXIKHIDZKYJDJ-UHFFFAOYSA-N 361.379 1.244 0 40 FDAB Cc1ccc(C(=O)NCCc2nnc3ccccn23)c(-n2cnnn2)c1C 95476857 SXMIYTVTJJQDJW-UHFFFAOYSA-N 362.397 1.294 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 583356384 CWFRGKWWNOKYIG-HNNXBMFYSA-N 363.425 1.765 0 40 FDAB CN(C)CC(=O)N[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21 96079902 WBFJXHBKDIZBES-MRXNPFEDSA-N 374.485 1.704 0 40 FDAB c1cc2c(cc1CN1CC3(CC[C@@H](CN4CCOCC4)CO3)C1)OCO2 248332746 JEHJSZHZXKDAKZ-KRWDZBQOSA-N 360.454 1.729 0 40 FDAB CS(=O)(=O)N1CCC[C@H](Cc2ccc(-c3cnc4ncccn34)nn2)C1 257308787 TYCCKJZVDVJNKS-CYBMUJFWSA-N 372.454 1.400 0 40 FDAB O=C(N[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1O)c1cnccn1 257336292 YNUJPMQGXPKRLV-HZPDHXFCSA-N 354.435 1.666 0 40 FDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccc(C)nc1 257231249 GFXYGXFCYXAJJU-IBGZPJMESA-N 366.465 1.505 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)c4ccncc4)C3)ccnc12 257199763 AASPTNGWZXYIJM-AWEZNQCLSA-N 364.409 1.504 0 40 FDAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(CCCc3ccccc3)C1)C2 257256122 KKEDNZJXGJQVDF-LJQANCHMSA-N 355.442 1.280 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(CCc2ccccc2)[C@H](C(N)=O)C1 257306801 SVYQNELUVSFBAN-SFHVURJKSA-N 370.453 1.075 0 40 FDAB Cc1ccsc1C(=O)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257299197 RPCHMXOQIVKHST-KBPBESRZSA-N 350.440 1.287 0 40 FDAB Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257333884 YDNGKCLGZRDUNT-KBUPBQIOSA-N 350.346 1.184 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1n[nH]c2cc(F)ccc12 682821875 HLAOJCLGUGMRBD-DMAMZFHHSA-N 354.341 1.448 0 40 FDAB Cc1nnc2ccc(N3CCC([C@@H]4CC[C@H](C(=O)N(C)C)O4)CC3)nn12 1775957592 CPKYDSRLKRCCFQ-LSDHHAIUSA-N 358.446 1.285 0 40 FDAB CC(C)c1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)n(C)n1 618199512 HURPNOIJFKZKQZ-KSSFIOAISA-N 355.442 1.888 0 40 FDAB Cn1cc(O[C@@H]2CN(c3nccc(Oc4ccccc4)n3)C[C@H]2O)cn1 624423429 GGWGGGYPEMDPNH-HZPDHXFCSA-N 353.382 1.631 0 40 FDAB Cc1ccc(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1S(C)(=O)=O 626461578 KDBQFVCJDNHSMG-CQSZACIVSA-N 365.455 1.673 0 40 FDAB C[C@H](CC(=O)O)N1CCN(C(=O)c2cnn3cccc(Cl)c23)CC1 630221237 WCOAFWWWLIDSQH-LLVKDONJSA-N 350.806 1.609 0 40 FDAB COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 630665696 PVRWULMIHHZXGJ-HOTGVXAUSA-N 350.415 1.643 0 40 FDAB CCn1cc(C2CCN(C(=O)[C@H]3Cn4c(C)nnc4CN3C)CC2)cn1 644358595 UQMWPCCQDNQTII-MRXNPFEDSA-N 357.462 1.023 0 40 FDAB C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)F)nc1 658016493 ZPFVTGHDWLMOFR-WCQYABFASA-N 362.446 1.941 0 40 FDAB COc1ccc([C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C(=O)O)cc1Cl 659158116 WGVUJDSBUFXCGN-LLVKDONJSA-N 367.793 1.646 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)O)c2ccnn2C)cc1C 562999000 FJLNIPUZEMKCJY-AWEZNQCLSA-N 353.400 1.150 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCCN1S(C)(=O)=O 52610677 JLBRIOPQZCOPBJ-CYBMUJFWSA-N 354.428 1.188 0 40 FDAB CCOC(=O)[C@H](CNC(=O)c1cnc(C(=O)OC)cn1)Cc1ccccc1 95456849 WIQIWSUTMBUMNW-AWEZNQCLSA-N 371.393 1.415 0 40 FDAB Cc1nnsc1C(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 1615529286 HLXRUWSUWVKUBJ-UHFFFAOYSA-N 371.466 1.953 0 40 FDAB O=C(c1cccs1)N1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 12471504 BGSQTQDUPOZDEH-LBPRGKRZSA-N 355.427 1.744 0 40 FDAB Cc1cccnc1C1(O)CCN(C(=O)C[C@@H]2SC(=O)N(C)C2=O)CC1 13227727 HSUWMEWDNRVNKK-LBPRGKRZSA-N 363.439 1.284 0 40 FDAB Cc1cnc(-c2nc(O)c3c(n2)CCN(C(=O)Cc2ccccn2)C3)cn1 13227884 QSURBWLEJGYGDO-UHFFFAOYSA-N 362.393 1.470 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 16042664 CJXLSBLMLVFCIW-GURBDPPWSA-N 365.364 1.771 0 40 FDAB biogenic O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1NCCCN1CCOCC1 19292950 QPQJVVHIGFUZKC-RTBURBONSA-N 369.456 1.212 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCCCn1ccnc1 19576224 AURAOKRDZWLDII-RZQQEMMASA-N 366.421 1.867 0 40 FDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)on1 19579246 KWIKPUVQUNOOHK-LLVKDONJSA-N 350.350 1.510 0 40 FDAB O=C(NC1CCOCC1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888870074 IQLSHZBBOVHMJJ-UGSOOPFHSA-N 364.421 1.985 0 40 FDAB Cc1cc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)nc(C)n1 1888910356 MTVCABXQAKXDKK-UHFFFAOYSA-N 369.473 1.355 0 40 FDAB Cn1c(=O)n(C)c2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 2087043993 NGDIZTLYYZTNQI-UHFFFAOYSA-N 358.833 1.647 0 40 FDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3cc(C4CC4)on3)C2)C1=O 1565542606 FFGVNCZJHXKDQR-LJQANCHMSA-N 360.458 1.568 0 40 FDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 1565549640 XLUWMRZTSHEXQN-UHFFFAOYSA-N 354.447 1.689 0 40 FDAB O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)NCc1ccccc1 26913523 LLYGPVWBONFDJG-QGZVFWFLSA-N 359.495 1.716 0 40 FDAB COc1ccnc(N2CCN(c3ncc(Br)cn3)CC2)n1 52075694 GRMYBZHQEVRCMH-UHFFFAOYSA-N 351.208 1.364 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CC(=O)N(c2ccccc2)C1=O 32855925 ZIKRHZCHHVPUFW-INIZCTEOSA-N 362.389 1.687 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4cnn(C)c4C)[C@H]3C2=O)cc1 103507055 WZWARHVCXKQNFK-ZBFHGGJFSA-N 352.350 1.224 0 40 FDAB COc1ccc(CCC(=O)NCCCN(C)S(C)(=O)=O)cc1OC 40089395 LPUJILRQBMVHKY-UHFFFAOYSA-N 358.460 1.034 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)c2ccccc2Cl)CC1 40105738 QCKYKWMKMJEDHC-SUMWQHHRSA-N 351.878 1.658 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)o1 797026 YFFJHIZLAIPADV-UHFFFAOYSA-N 355.354 1.329 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccccc2F)cc1OC 3061022 SXWNIYHPOUGZAG-UHFFFAOYSA-N 374.412 1.861 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc1 32814374 LBKXRALNMKCGCT-UHFFFAOYSA-N 373.390 1.686 0 40 FDAB CCN(CC)CCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6949403 HMAWKZIJKOMGGY-GOSISDBHSA-N 373.428 1.869 0 40 FDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 97020810 YGHMNRWOXPGGEP-LBPRGKRZSA-N 354.819 1.554 0 40 FDAB CC[C@@H](CNC(=O)CN(C)CC(=O)NCC(F)(F)F)c1ccccc1 47748472 YYDMRKSNNLZUOE-ZDUSSCGKSA-N 359.392 1.907 0 40 FDAB COc1cc(CC(=O)NCC(C)(C)N2CCOCC2)cc(OC)c1OC 23409016 FFJSCTNHXFWHRG-UHFFFAOYSA-N 366.458 1.482 0 40 FDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccn(C)n1 24472679 MPNSIDILMLOFKL-CYBMUJFWSA-N 368.484 1.459 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)c2cnn(C)c2-n2cccc2)cc1 24817227 MFAXGAOBPSKWAT-UHFFFAOYSA-N 367.409 1.930 0 40 FDAB CCN(c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 10009968 LHJOXCVUCDGENB-UHFFFAOYSA-N 352.412 1.761 0 40 FDAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1CCCO1 78725730 YEGLETYFSWOLAY-CHWSQXEVSA-N 358.316 1.986 0 40 FDAB Cc1ccc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)c(C)c1 26580409 SAXNTACYTNECDP-UHFFFAOYSA-N 352.442 1.547 0 40 FDAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1C 9306651 HAQCKEXEZKQNGS-SNVBAGLBSA-N 355.441 1.964 0 40 FDAB CCS(=O)(=O)c1nnc(NC(=O)COc2c(C)cccc2C)s1 27664708 NPZCEDYAKLGTJM-UHFFFAOYSA-N 355.441 1.966 0 40 FDAB CCN1CCN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2F)CC1 58225229 NOUUYZTVAOIIAN-UHFFFAOYSA-N 362.449 1.305 0 40 FDAB C[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)C(=O)N1CCOCC1 58226987 OEOZTXWOHWLAJK-LBPRGKRZSA-N 360.439 1.111 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 408975283 LVOSCRQFPGIJAS-APYUEPQZSA-N 364.195 1.645 0 40 FDAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2N)C[C@@H](C)O1 3439177 GYIHWFLEJUGUQN-GHMZBOCLSA-N 365.434 1.526 0 40 FDAB CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 3887581 ZTVZFJITCKNWRS-JTQLQIEISA-N 368.274 1.934 0 40 FDAB CC(C)CNC(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13237308 WMMPRKCOFOWVLC-HNNXBMFYSA-N 360.414 1.235 0 40 FDAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@@H]1CCCN(c2ncccn2)C1 63827135 OLLZVBGHISZDLT-HUUCEWRRSA-N 356.430 1.565 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 5166084 GEMJOZPBHDAAGS-UHFFFAOYSA-N 365.345 1.921 0 40 FDAB CC(=O)N1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 39984813 XVLPFFSAYNMUFU-UHFFFAOYSA-N 351.790 1.329 0 40 FDAB O=C(c1cc2c(s1)CCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14019840 DFKZMLJLUBHBCU-AWEZNQCLSA-N 368.524 1.572 0 40 FDAB O=C(NC1CC1)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 14197225 SWJHADMUNUCOST-HUUCEWRRSA-N 359.455 1.964 0 40 FDAB CCc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 7392952 DYJFSGDJTINDHQ-UHFFFAOYSA-N 364.423 1.901 0 40 FDAB O=C(NC[C@H]1CCCO1)c1cccc(CNc2ncnc3[nH]ncc23)c1 67915865 HFTXCTVREKAYPC-CQSZACIVSA-N 352.398 1.874 0 40 FDAB CC[C@H](C)n1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 16611285 KKMQIOYPICZRAF-QFYYESIMSA-N 354.410 1.930 0 40 FDAB biogenic CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 9478733 VZANXOWQDCJGTI-CZUORRHYSA-N 356.513 1.751 0 40 FDAB C[C@H](C(=O)Nc1cnn(CCN(C)C)c1)S(=O)(=O)c1ccc(F)cc1 71846720 UXJBSPAZUDRBPU-GFCCVEGCSA-N 368.434 1.385 0 40 FDAB O=C(NCCN1CCOCC1)N1CC(OCCCOc2ccccc2)C1 79101308 BJPMWWSBCVOZNV-UHFFFAOYSA-N 363.458 1.198 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(F)c2)C1 546255108 RGJQZXNBVOTVBY-NSHDSACASA-N 372.418 1.449 0 40 FDAB CCc1cc(O)nc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1 548009184 YPSOVEVSMYZMEX-QGZVFWFLSA-N 361.471 1.747 0 40 FDAB Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)c1ccc2c(c1)OCO2 31592562 PTKXLCBOOAXYRO-CYBMUJFWSA-N 356.382 1.072 0 40 FDAB CCc1nn(CC(=O)NCCc2c[nH]cn2)c(=O)c2cc3ccsc3n12 72334583 DIVMTHYOIDKIHM-UHFFFAOYSA-N 370.438 1.355 0 40 FDAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1OC 72227676 GKHIIJWFRSSHBW-QZTJIDSGSA-N 356.378 1.890 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)no1 62022730 GNYUOZKMCMPYQM-CYBMUJFWSA-N 353.386 1.814 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1 30495690 NUXWKTOAJBNWQV-AWEZNQCLSA-N 368.436 1.136 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1 40057511 YTNJIGIEDUKHIW-UHFFFAOYSA-N 353.378 1.848 0 40 FDAB COc1ncc(C2(O)CCN(C(=O)c3ccc(C)s3)CC2)c(OC)n1 72337550 LGSJUDWUKJNURC-UHFFFAOYSA-N 363.439 1.988 0 40 FDAB C[C@H](Cn1cncn1)NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 89683941 LBKFNHYWAMMJQF-CHWSQXEVSA-N 355.402 1.820 0 40 FDAB COc1cc(COCC2CCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1 75156559 LEXZJPYWZZTXCH-UHFFFAOYSA-N 372.487 1.739 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCO1)c1cn(C)c2ccccc12 75149251 LNMSYQOHPFWUHF-KBXCAEBGSA-N 372.469 1.192 0 40 FDAB CC[C@@H]1c2ccsc2CCN1C(=O)CN1C(=O)N[C@@](C)(COC)C1=O 332277125 VWBZQFBYKBASCB-PXAZEXFGSA-N 365.455 1.541 0 40 FDAB Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)n1 575825486 OTLDBDPSQDUBER-SFHVURJKSA-N 368.397 1.339 0 40 FDAB Cc1cn2nc(N[C@@H]3CCN(c4c(C)c(C)nc5ncnn45)C3)ccc2n1 583148042 UZZINFFBYAECPA-CQSZACIVSA-N 363.429 1.783 0 40 FDAB O=C(COC[C@]12COC[C@H]1CN(CCc1ccccc1)C2)N1CCCC1 96108812 ADLSCVMDSNARLB-CTNGQTDRSA-N 358.482 1.817 0 40 FDAB Cc1cnc(N2CC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)nc1 96225798 CUNLKOQARDSZNO-SFHVURJKSA-N 352.398 1.222 0 40 FDAB CN1CCNC(=O)[C@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 248018014 GUUBBLMTXBVKIB-CHWSQXEVSA-N 364.496 1.425 0 40 FDAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)ncn1 257314747 UYHBXZCONJNDSI-CYBMUJFWSA-N 365.459 1.419 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257255238 KGRLHPBKTNTURI-MRXNPFEDSA-N 356.430 1.371 0 40 FDAB OC[C@@]1(F)CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 585080746 KMQJMUKOVPDHEA-GOSISDBHSA-N 372.868 1.957 0 40 FDAB Cn1c(=O)[nH]cc(Cc2nc(C3CCCC3)nn2-c2ccccn2)c1=O 96162180 ZJCIYSPGMKWQDS-UHFFFAOYSA-N 352.398 1.298 0 40 FDAB CO[C@]1(C(=O)O)CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 630253072 VKDRAGUPOIYAOY-DNVCBOLYSA-N 360.410 1.188 0 40 FDAB Cc1cccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)N2c2cnn(C)c2)c1 630662371 DRENLANTXGGTNH-DLBZAZTESA-N 356.426 1.809 0 40 FDAB C[C@@H](c1nc([C@@H]2CCS(=O)(=O)C2)no1)n1ccc(C(F)(F)F)n1 632033285 NNNBZGDQUXIZFL-JGVFFNPUSA-N 350.322 1.796 0 40 FDAB Cc1snnc1C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108794 JORWAXIVLUEZHA-OFQRWUPVSA-N 360.439 1.830 0 40 FDAB CCc1[nH][nH]c(=NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2nccn2C)c1C 585091092 XJUHIKDZBIOQFO-BBRMVZONSA-N 370.457 1.517 0 40 FDAB COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)cc1OC 57392140 HTXRIKYGMWUUAL-CQSZACIVSA-N 371.441 1.643 0 40 FDAB CN(C)c1cccc(CNC(=O)CCn2nnc3ccccc3c2=O)c1 58193116 HZLWVZABCKQUPZ-UHFFFAOYSA-N 351.410 1.564 0 40 FDAB CC(=O)Oc1cc2c(cc1[C@@H](NC(N)=O)c1ccc3c(c1)OCO3)OCO2 5712278 PQPYAULYKAWJHL-KRWDZBQOSA-N 372.333 1.827 0 40 FDAB O=C1NN=C(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)[C@H]2C=CC=C[C@@H]12 12143283 DICXLGDPYJHMFC-IMBTUZDBSA-N 365.433 1.598 0 40 FDAB COCCC(=O)NCCc1nc2cc(-c3ccc(OC)cc3)ncn2n1 12234683 YEGUCWHFWFEDQC-UHFFFAOYSA-N 355.398 1.495 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)n2)cc1 12544253 JXPPGSYTTNCEOV-GFCCVEGCSA-N 361.423 1.898 0 40 FDAB CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17172499 ATUCTMZYEFDRII-UHFFFAOYSA-N 368.499 1.802 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 19406006 QRSAVDNORQKOEN-AWEZNQCLSA-N 365.397 1.905 0 40 FDAB CCOC(=O)Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c2ccccc21 19530578 AZCSZXGPDHYNRO-BPQIPLTHSA-N 371.481 1.844 0 40 FDAB COc1ccc(CC(=O)N2CCO[C@@H]3CCOC[C@H]32)cc1OC(F)F 606446204 FSVYBBFLWYAEBR-CHWSQXEVSA-N 357.353 1.855 0 40 FDAB C[C@@H](CNC(=O)N1CCC(c2ccccc2C(=O)O)CC1)S(C)(=O)=O 659424705 VYBIRGKSQMKRKQ-LBPRGKRZSA-N 368.455 1.707 0 40 FDAB Oc1cc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)nc(O)n1 1888897248 ZJTRVJBYODBCOO-TXEJJXNPSA-N 350.382 1.404 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nc2ccccc21 1888903775 YNIJRTPPKNXHPO-STQMWFEESA-N 351.414 1.383 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889208407 RSHRORPXDUTIRJ-ZYHUDNBSSA-N 364.393 1.417 0 40 FDAB CCN(CC)S(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23395967 OTQCAXPBWKGXIO-MRXNPFEDSA-N 359.467 1.375 0 40 FDAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@H](CNC(=O)C1(F)CC1)OC2 1565545875 NFCOZDQQHHFWQE-LLVKDONJSA-N 350.394 1.142 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@]2(CNC(=O)C2)C1 1565554476 SIVWNRIBMNKQBE-DOXZYTNZSA-N 364.490 1.145 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 2504210 SPRBOMJBDPWGTM-AWEZNQCLSA-N 368.271 1.415 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)cc1 4139838 XRTGMBVJARFBKO-UHFFFAOYSA-N 360.377 1.924 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCc2ccc(F)cc2)cc1OC 4189324 MDCWWSHODSQXDC-UHFFFAOYSA-N 360.385 1.818 0 40 FDAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)c1 5409472 UVCZXCYIAIDBKY-UHFFFAOYSA-N 357.410 1.986 0 40 FDAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2cccnc2)CC1 2055708154 RYVYLFZCQLLJJF-UHFFFAOYSA-N 367.375 1.948 0 40 FDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)(F)C2)C1 2055746448 GUHJHAJCZWYTHO-MRXNPFEDSA-N 355.360 2.000 0 40 FDAB COc1ccc(-n2ccn(CC(=O)Nc3cccc(C)c3)c(=O)c2=O)cc1 20488957 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373.862 1.445 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)o1 84199631 WXZZEXFQESJCGL-QWRGUYRKSA-N 371.459 1.130 0 40 FDAB C[C@]1(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CCS(=O)(=O)C1 8342629 YJKNTLIWENSNGK-HNNXBMFYSA-N 359.831 1.808 0 40 FDAB COc1ccc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)cc1 59483520 BKMQKSRDSGSSQX-UHFFFAOYSA-N 374.418 1.981 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 101223053 HXAFKQFUZSHYEW-CYDGBPFRSA-N 354.200 1.944 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 9512520 NYLRYHLXWJFRQJ-UHFFFAOYSA-N 359.382 1.585 0 40 FDAB CNc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9937822 KNRYZHITRWESRY-GFCCVEGCSA-N 355.398 1.302 0 40 FDAB Cc1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)no1 12543287 FTAQIXCZQVGPAL-UHFFFAOYSA-N 364.427 1.818 0 40 FDAB O=c1c2ccccc2cnn1C[C@H](O)COCc1ccc2c(c1)OCO2 42755952 UFTSELKWDFGAIT-HNNXBMFYSA-N 354.362 1.703 0 40 FDAB O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCN(c2cnccn2)CC1 24618193 ZSKNCEBGKOEWTQ-UHFFFAOYSA-N 370.804 1.068 0 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NC(=O)Cn1c(CN2CCC[C@@H](C(F)(F)F)C2)nc2ccccc2c1=O 12921716 QMXAESFJXQZVBA-LLVKDONJSA-N 368.359 1.656 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(F)ccc2F)c1 12972656 OJXLKKUORISSNE-UHFFFAOYSA-N 356.350 1.260 0 40 FDAB CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2OC)cc1 13060897 VEDLQRRTNWDMRC-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccc(Cl)cc1 4287210 HVYVQPMNQXDPHJ-UHFFFAOYSA-N 351.819 1.779 0 40 FDAB O=C(NCC(=O)N1CCC(C(=O)Nc2nccs2)CC1)c1ccccc1 13729747 VFLQKYALSGQMCF-UHFFFAOYSA-N 372.450 1.750 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](O)C(Cl)(Cl)Cl 5235352 QQQPUWWZUDRZIP-LLVKDONJSA-N 351.573 1.087 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2cc(Br)ccc2F)n1 14017386 UBSPDQPONRNRFB-UHFFFAOYSA-N 370.182 1.778 0 40 FDAB COCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348753 MBMMNTCGVZRGGO-KSVNGYGVSA-N 371.437 1.100 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H]2CCCO2)C(C)C)c1 27394379 AHMBSUDZUXZVEY-RHSMWYFYSA-N 364.442 1.753 0 40 FDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCCO2 5484622 SCKZNCLRCFTVHA-UHFFFAOYSA-N 359.367 1.234 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CSc1ccc2c(c1)OCCO2 6786937 SJZNDJLVTNQTCT-UHFFFAOYSA-N 352.456 1.923 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccco1)[C@@H]1C(=O)c3ccccc3C1=N2 6816875 GLEJBHUUHOMJAH-KGLIPLIRSA-N 361.357 1.756 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 6881877 GMRQYQXVNJBIKE-LBPRGKRZSA-N 366.356 1.793 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 8889582 LCOBXGSKDNXXNW-LJQANCHMSA-N 359.426 1.865 0 40 FDAB O=C(NCc1ccccc1F)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842450 IONCDDQZOQMHRG-UHFFFAOYSA-N 362.382 1.822 0 40 FDAB COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 7673564 MSLMXGIUOAWEAZ-SECBINFHSA-N 367.496 1.964 0 40 FDAB COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669289 QHPNIOZBONSPAO-KRWDZBQOSA-N 362.451 1.756 0 40 FDAB COC(=O)c1n[nH]c2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc12 25016231 QIJFHGUJRJKHDZ-UHFFFAOYSA-N 365.353 1.656 0 40 FDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1 69343732 KYADIQVHNTZYOP-QWRGUYRKSA-N 363.382 1.744 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C2=NNC(=O)CC2)c1 8389711 RGJLOKDOIWCHDS-UHFFFAOYSA-N 366.443 1.230 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)N(C)C 96000362 MEDLGPHPQYVJJR-MRXNPFEDSA-N 364.471 1.669 0 40 FDAB O=C(CCn1cccn1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005267 LZSKQOCFFXPNRW-HNNXBMFYSA-N 354.476 1.126 0 40 FDAB Cc1ccnc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 9337141 GNFXBOPDVBVFOO-UHFFFAOYSA-N 352.394 1.885 0 40 FDAB Cc1nn(-c2ccc(NC(=O)CN(C)S(C)(=O)=O)cn2)c(C)c1Cl 72403125 TZXIWRGAOFLRRZ-UHFFFAOYSA-N 371.850 1.367 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)N(C)CCNC(=O)N(C)C)n1 95456697 TXZCSFWEECHUMZ-UHFFFAOYSA-N 359.430 1.533 0 40 FDAB C[C@@H](NC(=O)N1CC(OCCCOc2ccccc2)C1)c1nncn1C 79101286 MGYGUSCMCRYNGX-CQSZACIVSA-N 359.430 1.756 0 40 FDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC[S@](C)=O)CC1 75109983 HXHKAHARMGRKOU-OAQYLSRUSA-N 364.920 1.333 0 40 FDAB CCOC(=O)Cc1nnc(NC(=O)CCNC(=O)c2ccccc2)s1 89984712 YFLULTZCRXBCLD-UHFFFAOYSA-N 362.411 1.402 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)COCc2ccccc2)[C@@H]1c1nccn1C 551933737 BFJUMJLRHQIPDC-MAUKXSAKSA-N 356.426 1.273 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C)ccc2C)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 1471339 YSVLWEZRMAGNEW-RSJGLCBASA-N 365.426 1.424 0 40 FDAB biogenic COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 408596233 RUNIKKOLKPGABG-CQSZACIVSA-N 356.488 1.705 0 40 FDAB COC(=O)[C@]1(CC(=O)N(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340267 VWFDYJRCOOVJST-GUXCAODWSA-N 358.438 1.630 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)NCCOc2ccccc2)c2ccccc2O1 39992505 MJUVWOWFLAAHFF-SFHVURJKSA-N 369.421 1.195 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)C1 72397265 GAHSAUULUXXIID-IRXDYDNUSA-N 371.529 1.902 0 40 FDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSc2ncn[nH]2)cc1 225964591 DMKGNEPJCONOFA-UHFFFAOYSA-N 369.472 1.113 0 40 FDAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149521 DDQLVLCESROZFA-ROUUACIJSA-N 371.510 1.725 0 40 FDAB CC(C)S(=O)(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226752991 ZSVBVVRWGOFNPT-UHFFFAOYSA-N 353.469 1.792 0 40 FDAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NCc1ccc(F)cc1 40072402 TZZLLNYEUBOYKM-UHFFFAOYSA-N 363.414 1.690 0 40 FDAB COc1ccc(CN2C=C(C(=O)O)C(C(F)(F)F)=NS2(=O)=O)cc1 96516567 SYGABWLXIMQPLD-UHFFFAOYSA-N 364.301 1.727 0 40 FDAB O=C(NCC1CC1)C1=NO[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 96225476 FYKMMKKUGHEBAI-IBGZPJMESA-N 357.410 1.662 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)c4ccco4)C3)C2)cn1 96225942 FAVBLMFAUPNMRJ-GOSISDBHSA-N 369.381 1.055 0 40 FDAB O=C(c1ccnnc1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96100670 PXPVHDJFLDRIRO-FHWLQOOXSA-N 350.422 1.719 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2O1)NCc1cccnc1 96206159 ZIJNTSXJDUGSTF-GBESFXJTSA-N 352.438 1.772 0 40 FDAB O=C(c1ccncc1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96229127 BUXJPEVBEVMHAJ-LJQANCHMSA-N 353.426 1.631 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(Cc2cccnc2)Cc2cncn21 247496627 OJQRDEBVVHCIDG-SFHVURJKSA-N 355.442 1.378 0 40 FDAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccon1 253398673 HICZCFGADKTPPB-OAHLLOKOSA-N 363.420 1.788 0 40 FDAB Cc1nn(C)c(C)c1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257261455 LHJVKFIPFUNFKA-AWEZNQCLSA-N 363.487 1.708 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cnn(C)c1)CC[C@H]2O 257236645 HDBFTUSUQVHTFO-MANSERQUSA-N 354.454 1.341 0 40 FDAB CCCn1nc(C)c(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1C 268512276 ZWRYIRNOOLSMFJ-UHFFFAOYSA-N 371.441 1.609 0 40 FDAB COc1ccc(C(C)(C)C(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)cc1OC 1615588255 ANDXVDQCUHXZOU-HUUCEWRRSA-N 372.469 1.668 0 40 FDAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cc(O)nc(C2CC2)n1 623036343 XJKUVNJLKLCCEZ-CQSZACIVSA-N 359.407 1.459 0 40 FDAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1 96104179 PQTRHKOZXFCZKM-SNAWJCMRSA-N 366.468 1.355 0 40 FDAB Cc1c(CN(C)S(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cnn1C 567557235 HCMVKIGZQZLHLP-UHFFFAOYSA-N 371.390 1.152 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1C 575420474 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RGDWJSVYJHOSEY-UHFFFAOYSA-N 370.814 1.529 0 40 FDAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16637400 DDWRZICZQMYCLH-CQSZACIVSA-N 370.471 1.391 0 40 FDAB COc1cccc(-n2nnc(C(=O)NC[C@H](C)N3CCOCC3)c2C)c1 19557748 HCASHFSEVUCDPD-ZDUSSCGKSA-N 359.430 1.035 0 40 FDAB CCN(CC)C(=O)CN1CCN(c2cc(C)nc([C@@H]3CCNC3)c2)CC1 19739116 CHUWQJJRESBDJU-QGZVFWFLSA-N 359.518 1.457 0 40 FDAB Cn1cnnc1SCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1 225712258 IPRTWTYDQWPWHC-GFCCVEGCSA-N 365.484 1.617 0 40 FDAB CC[C@@H](C)S(=O)(=O)N1CC(n2nc(-c3cccs3)ccc2=O)C1 19500005 YYOPDGYQFYWKHC-LLVKDONJSA-N 353.469 1.957 0 40 FDAB Fc1cncnc1N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888842644 GTLVQXKPJYFBLP-UWVGGRQHSA-N 354.311 1.997 0 40 FDAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 1888857218 LBKRQGNOCIZDDD-NSHDSACASA-N 353.366 1.768 0 40 FDAB Cc1cc(CN2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)no1 1888869403 IISXUIJQHCMSPG-IAGOWNOFSA-N 361.467 1.877 0 40 FDAB Cn1cncc1C(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890952 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Cc1cccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c1C 22608944 IPFYRIDMTLYVGW-QGZVFWFLSA-N 363.458 1.397 0 40 FDAB CCNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 22906687 YHQHZJOEKBGHQH-SFHVURJKSA-N 352.438 1.433 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C[C@H]2CCCO2)CC1 40079568 OKMLQYSQSGRQMI-FUHWJXTLSA-N 357.454 1.363 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 30548637 DUHMPZLTTSPVAR-KRWDZBQOSA-N 350.484 1.892 0 40 FDAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)c1nc(N)nc(N(C)C)n1 31694579 GGCYSWHHQDCLFY-SECBINFHSA-N 357.443 1.620 0 40 FDAB COCCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2ncccc2c1=O 31615695 DAZBZNKPJJMIKT-LBPRGKRZSA-N 364.471 1.691 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCn2c(=O)n(C)c3ccccc32)no1 11962603 DAQGHLNIGUKJMM-UHFFFAOYSA-N 358.354 1.208 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269791 YOLOFISUIIPWFO-KBVBSXBZSA-N 352.334 1.874 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4327835 YUERGOBAXHUBMQ-BENORSOKSA-N 366.417 1.907 0 40 FDAB COCCCNC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 4888596 JHZXUCJGQHAFES-UHFFFAOYSA-N 365.499 1.800 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6879289 FLRKFNFKDCIEGJ-UHFFFAOYSA-N 363.171 1.419 0 40 FDAB COc1cc(/C=C2\NC(=O)NC2=O)cc(I)c1O 100280195 AACOISDOLSTGJP-CLTKARDFSA-N 360.107 1.186 0 40 FDAB C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)NCC(F)(F)F 22025050 WPBMSIJKESBNSU-ZDUSSCGKSA-N 359.392 1.675 0 40 FDAB CCOc1cc(C(=O)NCCOC)ccc1OCC(=O)N1CCCCC1 22404806 JPUKJQASFDLUEG-UHFFFAOYSA-N 364.442 1.853 0 40 FDAB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 22844018 ICLHKRIVNZFLPE-UHFFFAOYSA-N 371.478 1.309 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O 20009291 CLGIJDNJMAXXAA-ZDUSSCGKSA-N 368.842 1.724 0 40 FDAB CC(C)C[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)N1CCOCC1 22970371 QRZZFEPZJWQVFP-HNNXBMFYSA-N 357.495 1.764 0 40 FDAB COC(=O)COc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1 55907598 HKKFWAXWFLCLDH-UHFFFAOYSA-N 367.361 1.807 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H]2Cc3ccccc3O2)c1 25728206 LCTFRQAPQKDZKN-QGZVFWFLSA-N 374.462 1.702 0 40 FDAB CN(CC(=O)NC(=O)NC1CCCCC1)C[C@H]1COc2ccccc2O1 12612211 PEVXCPGSHYZLGS-HNNXBMFYSA-N 361.442 1.917 0 40 FDAB O=C1COc2ccccc2N1CCC(=O)N1CCC[C@@H]1CN1CCCC1 58162724 QMGFTMNSVSUQAH-MRXNPFEDSA-N 357.454 1.889 0 40 FDAB Cn1cc(-c2nc(C(=O)NCc3cccnc3-n3cncn3)cs2)cn1 48231588 WSPUOBDOTRLOCR-UHFFFAOYSA-N 366.410 1.449 0 40 FDAB C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)N1CCOCC1 58246519 GIINVHACMVMPFU-LLVKDONJSA-N 368.817 1.017 0 40 FDAB C[C@H](NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 3368753 PPWSGIHWWWFGEN-ZDUSSCGKSA-N 365.389 1.968 0 40 FDAB COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1 2458891 PVVNWIJNTAXOHB-UHFFFAOYSA-N 356.425 1.682 0 40 FDAB Cc1c(NS(=O)(=O)c2cccc(N)c2)c(=O)n(-c2ccccc2)n1C 3885489 TVMBLGKYJPOYDE-UHFFFAOYSA-N 358.423 1.867 0 40 FDAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1OC 4150523 GYIAJRSFHASDQT-ZDUSSCGKSA-N 350.371 1.856 0 40 FDAB O=C1COc2ccc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)cc2N1 14183481 SCAXPDNCSHXRQC-UHFFFAOYSA-N 353.313 1.693 0 40 FDAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(c2ncccn2)CC1 14135518 HXRRPJBHATYBHW-INIZCTEOSA-N 351.454 1.967 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1)OCN1C(=O)c2ccccc2C1=O 6552601 ZQUROWZPJPZBAZ-UHFFFAOYSA-N 372.764 1.867 0 40 FDAB COC(=O)c1c(NC(=O)C(=O)NC(C)C)sc2c1CC(C)(C)OC2 6756183 XHEKUJKQIHWTGI-UHFFFAOYSA-N 354.428 1.849 0 40 FDAB NC(=O)CCc1nnc(S[C@@H]2CCCCNC2=O)n1Cc1ccco1 22749840 ALCPHUHWHGBBKC-GFCCVEGCSA-N 363.443 1.098 0 40 FDAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 9135268 IOLQHJMRAUIZQB-QGZVFWFLSA-N 372.469 1.203 0 40 FDAB COc1ccccc1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7035089 VKKWQMBOPTZRGM-GFCCVEGCSA-N 356.378 1.907 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 7120723 UCGJSAOHRIPSIG-AAEUAGOBSA-N 367.402 1.200 0 40 FDAB Nc1cc(N)nc(S[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n1 80338760 OAUHXXFDGPGASV-IUODEOHRSA-N 359.455 1.770 0 40 FDAB O=C(NCc1ccco1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858212 ANHZCRMUDKNUIE-UHFFFAOYSA-N 368.798 1.930 0 40 FDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 8231314 YZRSLQBLDJUPDZ-UHFFFAOYSA-N 369.410 1.588 0 40 FDAB COc1ccc(NC(=O)N[C@H](C)CN2CCCC2=O)cc1N1CCCC1=O 69434359 WGSRNPBBNQBNDG-CYBMUJFWSA-N 374.441 1.954 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3S2(=O)=O)cs1 306128687 HIGRBFGYMICOFZ-CJNGLKHVSA-N 364.496 1.493 0 40 FDAB COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc(OC)c1OCC(N)=O 96939666 AVSPRYAWGZCVAX-IZZDOVSWSA-N 362.382 1.910 0 40 FDAB Cc1ccc(NC(=O)Cc2noc(-c3coc(S(N)(=O)=O)c3)n2)cc1 95462715 HZECASHRNJBHAR-UHFFFAOYSA-N 362.367 1.467 0 40 FDAB O=S1(=O)C[C@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccccc21 89857834 KHYFXVZBNUYADL-LBPRGKRZSA-N 359.375 1.772 0 40 FDAB O=C1CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2N1c1ccccc1 67897414 ORSFFLOQFWOJRB-SJORKVTESA-N 358.419 1.492 0 40 FDAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)cc1 61722160 YOPGTDHLQDYCHO-UHFFFAOYSA-N 358.394 1.363 0 40 FDAB c1cc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)ccn1 306137792 RGNWCSWHOFYWAV-KRWDZBQOSA-N 364.453 1.950 0 40 FDAB CCOC(=O)C[C@@H](c1cn(CC)nc1C)c1oc(CO)cc(=O)c1O 72402101 XGPDCEGSLHAXJW-LBPRGKRZSA-N 350.371 1.448 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 72341517 KTXUVUOEMDYKDY-AGIUHOORSA-N 355.442 1.746 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1NCCCO 217626821 NJOJSOCLOUMAAK-UHFFFAOYSA-N 354.384 1.251 0 40 FDAB COc1cccc(-c2noc(CCC(=O)N3CCC(C(N)=O)CC3)n2)c1 225824578 XCLSMAAKXNGSHC-UHFFFAOYSA-N 358.398 1.402 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225746113 HTSWKCQLFDXXHD-LFSVMHDDSA-N 373.331 1.371 0 40 FDAB Cc1cc(C)n2nc(C(=O)NC3CCN(c4cc(C)[nH]n4)CC3)nc2n1 225751381 UYXQLOKTYJDMJY-UHFFFAOYSA-N 354.418 1.171 0 40 FDAB O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C3CCOCC3)CC2)O1 96243612 ZEJLOFVNBRLLIL-QGZVFWFLSA-N 374.485 1.278 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)N(C)C)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96036312 QZSLJQBBSYFBRE-OXJNMPFZSA-N 362.518 1.714 0 40 FDAB O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(C(=O)NC3CC3)C2)C1 96226099 NONOFMLMAYCFRG-SFHVURJKSA-N 360.389 1.535 0 40 FDAB COCCN(C)C(=O)c1nc(-c2cn(CCOC)cn2)n2ccccc12 96155023 DVXMPPDMQFMMCN-UHFFFAOYSA-N 357.414 1.563 0 40 FDAB O=C(c1cscn1)N1CCO[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96108091 ILJOIHWYVGLYAX-DGCLKSJQSA-N 350.469 1.573 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96208527 LOQQBQNHNZYNBB-LPHOPBHVSA-N 356.426 1.796 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3ccc(C)nn3)CO2)C1 96223221 PDAVIBPCRDEVFP-GOEBONIOSA-N 354.476 1.560 0 40 FDAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)c1 96253180 FRFZCCVNZSLABV-IXDOHACOSA-N 359.426 1.939 0 40 FDAB COCc1cnc2n1CCN(S(=O)(=O)c1cccc(OC)c1)[C@@H]2C 96109562 VSPBTMKQIVGFGA-GFCCVEGCSA-N 351.428 1.804 0 40 FDAB CCOC[C@@H]1CN(S(C)(=O)=O)Cc2cnn(CC3CCOCC3)c21 96198463 ZQBWOWGIVAYRTH-HNNXBMFYSA-N 357.476 1.205 0 40 FDAB COCC[C@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1OC)C2 248020914 MEYQSEHRROVVKV-AWEZNQCLSA-N 355.456 1.820 0 40 FDAB O=C1CCC[C@]2(CN(S(=O)(=O)c3cn[nH]c3)C[C@H]2c2ccccc2)N1 257293685 QQSAAQLQTLYBCG-DOTOQJQBSA-N 360.439 1.237 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2ccnc2C)C1 257250647 JNKMYPMGAWBIRZ-IBGZPJMESA-N 357.458 1.072 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 253601320 PCJWOBXQWNUVIN-HNNXBMFYSA-N 369.425 1.665 0 40 FDAB COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 592193527 BDWDISMSCPBQOO-GXSJLCMTSA-N 361.225 1.788 0 40 FDAB CNS(=O)(=O)N1CCC(c2nc(-c3nccc4[nH]ccc34)no2)CC1 289101523 LGKSOWCAXWRDLA-UHFFFAOYSA-N 362.415 1.257 0 40 FDAB NC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc1 613679526 OOWTUDIKDBWAOV-UHFFFAOYSA-N 362.792 1.935 0 40 FDAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@@H](C(=O)O)C2CC2)CC1 635015000 BAKJJDQDUGDBSW-LSDHHAIUSA-N 351.834 1.347 0 40 FDAB CCOC(=O)c1ncn2c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 642881958 LGDQOEPVCUQEKT-MNOVXSKESA-N 364.402 1.211 0 40 FDAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1c[nH]nc1[C@H]1CCCNC1 643724561 QILMWNWOKQKMSJ-GJZGRUSLSA-N 359.474 1.398 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 644034375 PKBFZMWARUYRGZ-MRXNPFEDSA-N 358.797 1.348 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(n2nc(C)cc2C)C1 603880177 YHXKLZGFYXMISO-LJQANCHMSA-N 352.438 1.857 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2cccnn2)CC1 96119342 FJQPTZOSKSOHGD-UHFFFAOYSA-N 354.366 1.455 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585113029 XMGHSLYXHHEVRO-INIZCTEOSA-N 352.435 1.518 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NC(=O)C3CCC(F)(F)CC3)cc2N1 585271769 JQJONWIMKGQSLW-UHFFFAOYSA-N 374.365 1.648 0 40 FDAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@H]1CCCO1 75165337 PXHRNBNUGUWUCX-LLVKDONJSA-N 362.352 1.563 0 40 FDAB COc1ccc(/C=C(/CS(=O)(=O)O)c2cc[n+](CCO)cc2)cc1 2379710 YVPVVUHDWWBLJG-VBKFSLOCSA-O 350.416 1.403 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C12CCOCC2 1772595423 VHYGKZQXHVYWDO-MRXNPFEDSA-N 361.417 1.321 0 40 FDAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccncc4)nc(C)n32)o1 12115514 VQVXUJOAEWGONX-UHFFFAOYSA-N 351.366 1.570 0 40 FDAB CN1C[C@H](C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)CC1=O 12187021 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NDZYOZAKJUXSJD-DNVCBOLYSA-N 369.425 1.049 0 40 FDAB Cn1cnnc1CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848590742 SXRJHYGQJZUYSA-UHFFFAOYSA-N 356.405 1.576 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc(OC)c2)CC1 32907983 TWLKRVHBZZOYFZ-BQYQJAHWSA-N 352.456 1.639 0 40 FDAB O=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2nsnc2c1 238825960 DTGGWNJZHOESFS-UHFFFAOYSA-N 368.418 1.842 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3cc(C)on3)CC2)C[C@@]1(C)CO 2037823852 CLNJXMPFAFATJL-KRWDZBQOSA-N 351.447 1.195 0 40 FDAB Cc1nc(C(=O)N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)cs1 1614946514 HZSXXAOHVBZZFP-KRWDZBQOSA-N 350.488 1.468 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(CC3(O)CCCC3)CC2)n1 2087123188 OBCIJCNLMVAXLO-UHFFFAOYSA-N 361.490 1.049 0 40 FDAB Cc1cnnn1Cc1nnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 1565555339 XRJAISXTOLXLKH-UHFFFAOYSA-N 351.361 1.004 0 40 FDAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCCC1 20744729 HRCZLXAHKFJNHM-UHFFFAOYSA-N 368.363 1.982 0 40 FDAB O=C(NCC(=O)N1CCCC[C@H]1C1OCCO1)NCc1ccc(F)cc1 69744069 BELRBRSFUQDAFF-HNNXBMFYSA-N 365.405 1.379 0 40 FDAB COc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1-n1cnnn1 1356965 AOCTZMOJYSSGMX-UHFFFAOYSA-N 363.443 1.840 0 40 FDAB Nc1nc(N)nc(-c2cc(Br)c(N)c(Br)c2)n1 1607504 OSTFFDUWOLFJLU-UHFFFAOYSA-N 360.013 1.810 0 40 FDAB COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1NS(C)(=O)=O 32772013 OAWHPKJMRPFQFP-NWDGAFQWSA-N 368.411 1.672 0 40 FDAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c1ccco1)C(C)C 32774369 UCGJSAOHRIPSIG-DGCLKSJQSA-N 367.402 1.200 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)c2ccccc2O1 69785945 HZFDDGZHWBOFQD-ZBEGNZNMSA-N 356.426 1.681 0 40 FDAB COC(=O)c1ccc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)o1 3515958 PQTZGVPCNJYHFZ-UHFFFAOYSA-N 373.770 1.724 0 40 FDAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1ccccc1=O 7988846 JKOXLCHJCZDMDB-UHFFFAOYSA-N 366.421 1.914 0 40 FDAB Cc1ccc2nc(COC(=O)c3cccc(S(C)(=O)=O)c3)cc(=O)n2c1 22106396 YANWFLHJLMDLSL-UHFFFAOYSA-N 372.402 1.763 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C[C@H](C)O1 57280277 DIUOYBCSXJOFCQ-RYUDHWBXSA-N 352.456 1.739 0 40 FDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 22652020 TZUGRVUPCIBQEM-WDEREUQCSA-N 354.790 1.899 0 40 FDAB O=Cc1c(N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)nc2ccccn2c1=O 104150389 CKEAFLGGVMSCKI-ZIAGYGMSSA-N 362.389 1.292 0 40 FDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCCOc1ccccc1 47330820 GBBBSPRYBXGQJK-UHFFFAOYSA-N 364.405 1.878 0 40 FDAB CCCCNC(=O)CN1CCN(Cn2ncn(C3CC3)c2=S)CC1 23249074 AZDOCLZDQVDPFD-UHFFFAOYSA-N 352.508 1.240 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)OCc2nc(-c3ccsc3)no2)C1=O 24078975 DKSYQYKHCMBRGA-HNNXBMFYSA-N 364.383 1.562 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1 12545170 CXXKHDDQQRRMTH-UHFFFAOYSA-N 364.405 1.872 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1C 97012881 GRLBXJLXAFXWCN-MRXNPFEDSA-N 365.455 1.808 0 40 FDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(C)(=O)=O)CC1 24923910 PVWBYOOCFOYNMG-OAHLLOKOSA-N 353.488 1.173 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)NCCn3c(=O)oc4ccccc43)C2)n1 106564491 HNZASGLTBSSXEK-ZDUSSCGKSA-N 371.397 1.875 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O 20009294 CLGIJDNJMAXXAA-CYBMUJFWSA-N 368.842 1.724 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)o1 56192792 TYRLRMUJPUYBBK-LLVKDONJSA-N 354.359 1.710 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457353 AQEBNBUITHKFDP-LBPRGKRZSA-N 373.240 1.852 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1I 100201930 AGMFLMVSSRHZDV-FIQHERPVSA-N 367.142 1.734 0 40 FDAB CC(C)CNC(=O)CN1C(=O)CS/C1=C\C(=O)OCc1ccccc1 12694117 YKVRVEKVTJXJSJ-IUXPMGMMSA-N 362.451 1.919 0 40 FDAB COCCn1nc(C(=O)NCCCc2c[nH]c3ccccc23)ccc1=O 78563737 MLBMFZWJAFQLEI-UHFFFAOYSA-N 354.410 1.734 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1(N2CCOCC2)CCCCC1 48183438 HUDRSSYPXKEJKM-OAHLLOKOSA-N 363.458 1.549 0 40 FDAB CN1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 48277391 RYHXMLYOMFUSIZ-IBGZPJMESA-N 369.440 2.000 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1C(F)(F)F 58195212 UQZQBQRUKPEGBO-JTQLQIEISA-N 350.362 1.900 0 40 FDAB CCOC(=O)N1CCCN(C(=O)c2nn(CC)c(=O)c3ccccc23)CC1 58158322 FDOBAGISYDZMHO-UHFFFAOYSA-N 372.425 1.721 0 40 FDAB C[C@@]1(c2ccccc2F)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 58174922 ORYQQRPRHVYSGO-SFHVURJKSA-N 366.356 1.769 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 58326231 XLPXJIYGAWKZBC-CQSZACIVSA-N 374.441 1.291 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2ccccc2-c2ccccc2)CCOCC1 58407645 FUFWDGPXLVXJTK-UHFFFAOYSA-N 374.462 1.914 0 40 FDAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nc(NC3CC3)ncc2C1=O 306131724 KNVRFIMQZVPMQT-UHFFFAOYSA-N 355.442 1.407 0 40 FDAB COCCOC(=O)c1c(N)n(CCCN(C)C)c2nc3ccccc3nc12 2235566 BUGIZVVNDHAQNG-UHFFFAOYSA-N 371.441 1.922 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cnc(C)cn2)CC1 36390321 PVJIIPSNDFZOGV-UHFFFAOYSA-N 367.453 1.744 0 40 FDAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)(C)C 22058769 SARYWLRCUHZXGT-LBPRGKRZSA-N 374.434 1.291 0 40 FDAB in-vitro Cc1cc(C)n(CCC(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 11594125 ROFZCTPHNFQKRA-CQSZACIVSA-N 370.409 1.807 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cn1 12875036 POZKGLKAXZEAST-UHFFFAOYSA-N 368.437 1.795 0 40 FDAB CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1 11689702 BPTAQTKWSDUYIW-UHFFFAOYSA-N 368.411 1.234 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12981687 KPQHXGMMDMSOKR-ZIAGYGMSSA-N 369.473 1.932 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)ccc21 13260705 OPFKPNONKPFMOA-CQSZACIVSA-N 366.439 1.336 0 40 FDAB COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044050 BSOQQWLMYGZOQB-XMYGDYTESA-N 369.373 1.526 0 40 FDAB biogenic COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5023406 WXMSWGVVOCTVSE-LJQANCHMSA-N 371.393 1.395 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1 6373571 KWQNGEDLOZPTJV-SNVBAGLBSA-N 362.411 1.756 0 40 FDAB COc1ccc(CNC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1OC 14075114 GJQYXBDIFQUGRJ-UHFFFAOYSA-N 363.458 1.120 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCCC2=O)o1 6609999 VIGRYLIFMGVKQE-RYUDHWBXSA-N 352.460 1.979 0 40 FDAB CCN(CC(=O)NC(C)(C)C)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 14923515 KWAPJWLWGLJOLV-UHFFFAOYSA-N 362.474 1.670 0 40 FDAB C[C@@H](OC(=O)c1cccn1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 6981102 BTTBCVZKWQUJKH-LLVKDONJSA-N 350.396 1.825 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O 7229141 ICXRSZYSPWAJBJ-IBGZPJMESA-N 374.416 1.195 0 40 FDAB Cc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1NC(=O)c1ccco1 8185316 JVMKZTCYELMJGO-UHFFFAOYSA-N 371.349 1.549 0 40 FDAB CCN1CCN(c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)CC1 72284263 PKUGIZFBPGTNCZ-UHFFFAOYSA-N 374.529 1.669 0 40 FDAB COC(=O)c1ccc(NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 72312124 JENPZJXMNZTCPX-IBGZPJMESA-N 367.361 1.780 0 40 FDAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 95427816 LNGLSJKBXRMMFF-LBPRGKRZSA-N 360.476 1.469 0 40 FDAB O=C(CNS(=O)(=O)[C@H]1CCCOC1)Nc1ccc(F)c(F)c1F 95468742 NXNSMVURXHIARK-QMMMGPOBSA-N 352.334 1.141 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)o1 95965890 YWGHGQFOCNMXLE-QGZVFWFLSA-N 364.423 1.576 0 40 FDAB COc1ccc(CN2CCO[C@]3(CNC[C@@H]3c3cccnc3)C2=O)cc1 306135193 OKJWMAPBQTUWHZ-QUCCMNQESA-N 353.422 1.575 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1Cc1cnn(C)c1 306134675 NVDGMZYOJWAZDV-AWEZNQCLSA-N 368.441 1.645 0 40 FDAB CC(C)c1noc([C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C2CCOCC2)n1 502669671 NLGNSHBOMJSRST-GXTWGEPZSA-N 350.419 1.255 0 40 FDAB CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 1531952249 KBYHUUUCEVJBCY-SFHVURJKSA-N 361.405 1.883 0 40 FDAB Cn1cnnc1SCCNC(=O)C1CN(c2nc3ccccc3s2)C1 62023091 GKIXXVANCQVIPA-UHFFFAOYSA-N 374.495 1.770 0 40 FDAB O=C(NCCCn1ccnc1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 70811985 QYKIKCZWWDOWEK-UHFFFAOYSA-N 351.410 1.643 0 40 FDAB O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)NCCc1ccccc1 49483142 SZPKKCSPVDITDY-UHFFFAOYSA-N 364.409 1.285 0 40 FDAB CSc1nnc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)s1 224794813 MSYZPTBFCPZZOD-UHFFFAOYSA-N 372.497 1.973 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 43007528 XTQGCRIKNIVMSQ-KRWDZBQOSA-N 357.454 1.362 0 40 FDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCN1CCOCC1 20677405 XXXRAXHLXFKAFW-UHFFFAOYSA-N 374.437 1.491 0 40 FDAB biogenic Cc1nc(CN2CCC(CNC(=O)[C@H]3CCCS3(=O)=O)CC2)oc1C 572014279 SACDWSZRNZQFRJ-OAHLLOKOSA-N 369.487 1.197 0 40 FDAB C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 80300086 WHAGCAFJOMHYLF-LBPRGKRZSA-N 362.393 1.935 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(-c3ccccc3)on2)C1 225677835 ZIWUAIPBFKTMRU-UHFFFAOYSA-N 372.406 1.373 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)n1 96225607 ITMVUTGISRXNKM-QFBILLFUSA-N 358.442 1.406 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1 257308876 TYOXGUGJFRUBBC-NSHDSACASA-N 362.411 1.376 0 40 FDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257344696 ZYICSXMWMBVTJC-CQSZACIVSA-N 350.448 1.509 0 40 FDAB COC(C)(C)C(=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257308045 TVEYATLJWBTKGK-QGHHPUGFSA-N 351.403 1.608 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cnn(CCF)c1)CC2 628766089 XBZBQJMBHUZZDY-UHFFFAOYSA-N 362.405 1.867 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2c(F)cccc2OC(F)(F)F)C1 643747767 OHNYTFUBAGSBNJ-CQSZACIVSA-N 350.312 1.927 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1oc(Br)cc1C 643951445 BLHXHBWPQBUREC-AWEZNQCLSA-N 359.220 1.718 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644306572 RFSPCQSXIUTQFE-HXUWFJFHSA-N 356.470 1.796 0 40 FDAB COc1cnc(NC(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)s1 649543425 LTJZRRNMZORFCI-VIFPVBQESA-N 368.415 1.081 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CC(=O)O)C1CCC1 653496464 RUALAZHALRMOSE-UHFFFAOYSA-N 361.441 1.026 0 40 FDAB CSc1cc(Br)ccc1C(=O)NCCc1nc(=O)o[nH]1 655037180 DMLDJCPMIUEVQC-UHFFFAOYSA-N 358.217 1.820 0 40 FDAB CCCC[C@@H](NC(N)=O)C(=O)NCCOCCN(C)C(=O)C(CC)CC 1775988864 MXIXLAGCFLAFBK-OAHLLOKOSA-N 372.510 1.241 0 40 FDAB CC/C=C/CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1615629415 INTWGEIJJXRXPG-PZIAFJOJSA-N 357.398 1.416 0 40 FDAB O=C(CSCc1ccccc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390832369 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CN(C(=O)COC(=O)/C=C/c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6642812 UYORLJXQMAFPCP-VBROQKIQSA-N 355.387 1.028 0 40 FDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3cn(C)nc3C)[C@H]2C1=O 103508113 QWJNWUDAYXXSQH-HIFRSBDPSA-N 358.785 1.983 0 40 FDAB O=C1CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738227 BODJKGDROMZEQI-ZWKOTPCHSA-N 356.447 1.701 0 40 FDAB O=C1O[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)Cc2ccccc21 12224417 XUVUBEFXTZFRCG-QGZVFWFLSA-N 367.405 1.316 0 40 FDAB Cc1cnc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cn1 32914656 ARXKQIMRECMRFY-UHFFFAOYSA-N 362.231 1.905 0 40 FDAB CCCn1nc(C(=O)N2CCN(Cc3csc(C)n3)CC2)ccc1=O 32923889 OCVWZVCXHFSCGQ-UHFFFAOYSA-N 361.471 1.376 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 47024555 RCYVLTYDAHOMLH-CQSZACIVSA-N 357.497 1.719 0 40 FDAB CN(c1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1)S(C)(=O)=O 8782319 UWGJGHRMLJWGEB-MRXNPFEDSA-N 362.407 1.861 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 107226848 MUXNILKDRLRUSH-IAGOWNOFSA-N 353.488 1.487 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NCc1ccccc1 22239960 BDQNHTMSPKRABX-UHFFFAOYSA-N 369.440 1.829 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC)(C(=O)OC)N[C@H]2c1ccc(OC)cc1 100420663 VYHKUBZGMLCDIP-YGTYGHESSA-N 360.410 1.282 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1 12508372 ZGIAIVGAZAWFOC-UHFFFAOYSA-N 372.410 1.038 0 40 FDAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 23400405 YTNTZSZMNWXLAJ-INIZCTEOSA-N 367.405 1.753 0 40 FDAB NC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)NC3CCCC3)cn2)C1 12592559 VYCJQIHWCJQDFV-GFCCVEGCSA-N 352.460 1.004 0 40 FDAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 24459568 UTNNVIBTGMDSJL-UHFFFAOYSA-N 371.890 1.829 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2cccc(Cl)c2)CC1 12542862 NXXQZKBCLCHQNQ-GFCCVEGCSA-N 350.850 1.839 0 40 FDAB Cc1nn(CCCNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Cl 101615554 KPSPKXULKTWTAU-CYDGBPFRSA-N 355.822 1.538 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(F)cc1 24988597 ZBEBUMUBFSZPTJ-KRWDZBQOSA-N 362.426 1.828 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 48131754 KSLJTZPCSHPCKY-HZPDHXFCSA-N 372.429 1.854 0 40 FDAB Cn1cccc1[C@H]1CCCN1Cc1nc2ccccc2c(=O)n1CC(N)=O 57508717 IWMKGQFKTBTCCK-QGZVFWFLSA-N 365.437 1.557 0 40 FDAB CC(C)(O)CN/C=C(/C(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 104095490 VHVMXANONLXMPZ-CWPWLXBASA-N 366.458 1.705 0 40 FDAB CCN(CC)C(=S)SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 1807247 LCNANWQRONUDMJ-UHFFFAOYSA-N 361.514 1.632 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 58163513 INHAATJWATZZRL-CVEARBPZSA-N 374.485 1.559 0 40 FDAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)cc1 3301607 NYBFPLHYWQSCDB-UHFFFAOYSA-N 362.407 1.462 0 40 FDAB CNC(=O)NC(=O)CCN1CCO[C@H](c2cccc(Br)c2)C1 58210331 XALOIECEGHZTLO-ZDUSSCGKSA-N 370.247 1.668 0 40 FDAB CCOCCNS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58201425 XISDQYUWJBGOMS-VOTSOKGWSA-N 373.427 1.205 0 40 FDAB O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 2251091 RPUQQKONEKUKRW-NVNXTCNLSA-N 356.838 1.842 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3nccs3)CC2)cc1C 10671575 FWPAGNLXTRJPAJ-UHFFFAOYSA-N 358.467 1.839 0 40 FDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccnc(-n2ccnc2)c1 48316267 PSBILJRQSLLRIE-UHFFFAOYSA-N 365.393 1.895 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12849923 RRPDEQZVWGKSLB-UHFFFAOYSA-N 360.391 1.982 0 40 FDAB CC(C)c1c(C(=O)N(C)CC(N)=O)cnn1-c1ccc(C(F)(F)F)cn1 63749121 KBIHYDWOQVXNCC-UHFFFAOYSA-N 369.347 1.967 0 40 FDAB COCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 4435581 VHHCBIMOJUKLQE-HNNXBMFYSA-N 366.776 1.827 0 40 FDAB CC(C)C(=O)N1CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 14119844 FFHPUSLQTXDLQS-OAHLLOKOSA-N 360.458 1.201 0 40 FDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCC1=O 4547052 RHJBBMOADKOENE-UHFFFAOYSA-N 362.426 1.011 0 40 FDAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1-n1cnnn1 17703256 IHUHXXQYHHAVOZ-QGZVFWFLSA-N 363.377 1.839 0 40 FDAB CCc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4732103 GXSMIVLVETULDX-UHFFFAOYSA-N 355.398 1.025 0 40 FDAB C[C@@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCO2 5674083 ZYJPBBXWVHWUIN-GFCCVEGCSA-N 367.365 1.647 0 40 FDAB CC(C)OCCCNC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6719342 JAQPUVHFJNZBMS-AWEZNQCLSA-N 373.457 1.886 0 40 FDAB Cc1ccc(OCCS[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15492217 PHHLIRHHYQDSNR-ZIAGYGMSSA-N 357.497 1.799 0 40 FDAB CCc1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9114729 BQWLPMVTCNRHIR-AWEZNQCLSA-N 363.439 1.353 0 40 FDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCOc2ccc(F)cc21 68165910 USADDLBMEALBJY-AWEZNQCLSA-N 356.357 1.653 0 40 FDAB CN1CCC(N(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 8157403 RNTNLFSMPHYKRD-UHFFFAOYSA-N 351.472 1.528 0 40 FDAB CCc1nc2cc(NC(=O)c3ncsc3S(N)(=O)=O)ccc2o1 96012335 NXMVAUOGUUAKQT-UHFFFAOYSA-N 352.397 1.746 0 40 FDAB CCCC(=O)N1CSC[C@H]1C(=O)NCc1nnc(C2CCC2)n1C 96012083 FPHTZYGWWJSFBT-LBPRGKRZSA-N 351.476 1.400 0 40 FDAB O=C(c1cccc(Cl)n1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998824 LZGYXBAJOUSQBF-GFCCVEGCSA-N 373.862 1.002 0 40 FDAB 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351.472 1.249 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217534861 BJNIDTBQLITHMW-MNOVXSKESA-N 360.432 1.145 0 40 FDAB Cc1ccc(C(=O)NCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1C 72242750 MRQHOJOESCPBDB-UHFFFAOYSA-N 367.515 1.389 0 40 FDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 78269260 ZODHLSVTCICPIV-FUHWJXTLSA-N 371.485 1.136 0 40 FDAB Cc1cc(CNS(=O)(=O)c2ccc(F)cc2)nc(N2CCOCC2)n1 224231143 YATIIKSDSNGXMI-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)ccc1C 223823034 QGUVZKUTHBHAGY-UHFFFAOYSA-N 360.391 1.929 0 40 FDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100093 JZKFZVHTTKLQNV-BZNIZROVSA-N 367.365 1.133 0 40 FDAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(N2CCCC2=O)c1 532599102 ZOSIVCLTTIDEKR-INIZCTEOSA-N 360.410 1.909 0 40 FDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@@H]3C2)s1 96043011 TYMWBCIEOGKBOL-SOUVJXGZSA-N 359.455 1.542 0 40 FDAB O=C(N[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1)c1ccccn1 96221094 JFAWNAWGYKNLGU-AWEZNQCLSA-N 355.394 1.868 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96224308 GVDITZURPLBEKY-LJQANCHMSA-N 353.426 1.470 0 40 FDAB O=C(c1cccnc1)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 247865781 OLYFISIZWBMHDD-OAHLLOKOSA-N 350.440 1.138 0 40 FDAB Cc1cccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)n1 257286558 PMABIXOZHAEMFV-BGTYHANMSA-N 360.385 1.591 0 40 FDAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)CN3CCCCCC3)CC2)ncn1 257206956 BFQRMBRYWANQGX-MRXNPFEDSA-N 373.501 1.623 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257261082 LFQSKGYZTNNNPW-IBGZPJMESA-N 357.458 1.793 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2cccc(CN(C)C)n2)n1 257326070 WVRKBMRJNNPCQI-KRWDZBQOSA-N 355.442 1.372 0 40 FDAB Cn1c(=O)oc2ccc(CN[C@@H]3CC[C@H](CNC(=O)c4cc[nH]n4)C3)cc21 1086648411 CFXKRZMGBWABGP-GXTWGEPZSA-N 369.425 1.543 0 40 FDAB COc1cccc2c(C(=O)NC[C@@H]3CCO[C@H]3c3nccn3C)n[nH]c12 619315015 LADXCLXIRNSHRP-MEDUHNTESA-N 355.398 1.813 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3cccc4c3OCCCO4)C[C@H]2O)cn1 628375168 FWERSQZZMXPFKN-SJLPKXTDSA-N 359.426 1.688 0 40 FDAB COCC(=O)N1CCN(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)CC1 646453759 BLBJVKZVAWGSGV-OAHLLOKOSA-N 371.441 1.815 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cncc(F)c1 657147881 SXVVAAHORWHNNO-SMDDNHRTSA-N 354.407 1.493 0 40 FDAB Cc1ccc(CN2C[C@H](C(=O)N3CCN(C4CC4)C(=O)C3)CC2=O)cc1 673961113 QSQVBFMPBHAOOP-MRXNPFEDSA-N 355.438 1.177 0 40 FDAB CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2nc(CC3CC3)no2)cn1 602821220 NCJHCIDPFZUYQI-AWEZNQCLSA-N 365.459 1.210 0 40 FDAB CO[C@H](C(=O)N1CC[C@]2(NC(=O)Cc3cn(C)nc3C)CCC[C@@H]12)C1CC1 1775992683 UODDDKUZJYQNOK-IMFGXOCKSA-N 374.485 1.336 0 40 FDAB O=C1CCCN1CCC(=O)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585270702 ABXJWDZYSQSYMB-SFHVURJKSA-N 350.390 1.180 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@](O)(COc3ccccc3C)C2)nn1 585278422 SRGBRFBPKFHWKI-IBGZPJMESA-N 357.410 1.376 0 40 FDAB COC1CCN(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)CC1 585091906 CWQCFUCWRKFLIJ-MRXNPFEDSA-N 358.435 1.555 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112069 KQYPAHFBZNXVFT-CQSZACIVSA-N 354.863 1.643 0 40 FDAB CCN1CCN(C(=O)CC2CCN(c3cc(C)nc(OC)n3)CC2)CC1 680621597 FGWACHJAHMVREY-UHFFFAOYSA-N 361.490 1.564 0 40 FDAB CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCOCC2CC2)cc1 49309954 JZTIMNHCDFMHKJ-UHFFFAOYSA-N 368.455 1.352 0 40 FDAB O=C(CCN1C(=O)N[C@H](CC(F)F)C1=O)N1CCOc2ccccc2C1 95992572 RAUWQKANFUGMCL-GFCCVEGCSA-N 367.352 1.373 0 40 FDAB COCc1nsc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 664181358 CUOVMRRVTBICOS-BETUJISGSA-N 358.423 1.306 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 16091468 HLVOGFQFMMLIAI-UHFFFAOYSA-N 366.483 1.563 0 40 FDAB CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCC)CC3)C2=O)C1 19699989 HHMJOJDRXDKAPU-HNNXBMFYSA-N 364.490 1.574 0 40 FDAB O=C1CC[C@H](C(=O)NCCOc2ccc(-c3ccccc3)cc2)NC(=O)N1 19716711 FQEFLQPUZXMEQV-QGZVFWFLSA-N 367.405 1.837 0 40 FDAB CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccccc2CN2CCCC2)C1 583619998 HIOXXRHFLXTGEH-FQEVSTJZSA-N 359.470 1.272 0 40 FDAB Cn1cnc2c(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)ncnc21 1888890704 HMOAZYJXAUVYHP-UHFFFAOYSA-N 362.344 1.123 0 40 FDAB CNC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 31971675 LTEMXOAIOMLLAA-UHFFFAOYSA-N 367.369 1.680 0 40 FDAB Cc1oncc1CN1CCN(S(=O)(=O)CCOc2ccccc2)CC1 238909467 SBWZBLJTGUHOGN-UHFFFAOYSA-N 365.455 1.509 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565546407 AJLJHQIQHYWZIS-AWEZNQCLSA-N 356.430 1.476 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)CCC1 1565556585 WIVITDIAOBQKIF-UHFFFAOYSA-N 374.441 1.160 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)o2)C1 13790447 LEXWPWKKYYRSTE-LBPRGKRZSA-N 350.400 1.347 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cc(C)no2)CC1 2055730124 BWJUHMRFVDJIMO-UHFFFAOYSA-N 360.389 1.955 0 40 FDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1cccc(NS(C)(=O)=O)c1 585149500 AZDICQOSIAGVFZ-STQMWFEESA-N 353.444 1.405 0 40 FDAB Cc1ccc(=O)n(CCNC(=O)c2cc(OCc3ccccc3)ncn2)n1 225534891 PROWNGAHOHOHMG-UHFFFAOYSA-N 365.393 1.351 0 40 FDAB COc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c(OC)c1 101510315 VWGDKIPALTVCFS-UHFFFAOYSA-N 357.370 1.315 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 30876201 MSJQGPHLDFCWSX-UHFFFAOYSA-N 360.435 1.847 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC 20761486 HEHCIYGPTYUJJW-ZBEGNZNMSA-N 358.398 1.637 0 40 FDAB biogenic O=C(NC[C@H]1Cc2ccccc2O1)c1ccccc1CN1C(=O)CNC1=O 46277945 GIZKXAAYLCIFQH-OAHLLOKOSA-N 365.389 1.472 0 40 FDAB CCS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 32619366 IFBDFDGWIFJTSB-UHFFFAOYSA-N 373.434 1.772 0 40 FDAB CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1cnn(-c2ccccc2)n1 1598829 CEKNEBXDNNDNMN-SJORKVTESA-N 361.354 1.366 0 40 FDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C(F)(F)F)c1 4107544 UGQNYDZRHCSSGZ-LBPRGKRZSA-N 366.361 1.583 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815987 PTZANUQJSGJXHD-CHWSQXEVSA-N 356.444 1.609 0 40 FDAB COC(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 4463278 KBDVAIJWHWHVBP-UHFFFAOYSA-N 353.330 1.926 0 40 FDAB Cc1cccc(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102436430 PNUMYDMTEJXDMH-GASCZTMLSA-N 372.421 1.960 0 40 FDAB Cc1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)n(C)c(=O)c(=O)n2C 6916756 QOARMMOGUMOBNY-UHFFFAOYSA-N 367.361 1.527 0 40 FDAB C[C@@H](c1cccs1)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 32905561 ATHCLENRGKQXEI-JTQLQIEISA-N 358.423 1.527 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)NC(=O)NC2CCCC2)nc1N 32950571 WUOKDEGRMSIBDK-UHFFFAOYSA-N 367.431 1.096 0 40 FDAB CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298876 CSNDFUBIEACSGJ-LZQZEXGQSA-N 374.533 1.499 0 40 FDAB biogenic,in-vitro Cc1nnsc1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108533594 ONWMUYLSOWAWMX-GJZGRUSLSA-N 359.455 1.357 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2cccc[n+]2[O-])s1 53222013 PRTPWOXCXOEDIQ-UHFFFAOYSA-N 372.493 1.448 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O 9051708 OJSFHDKYBYTVBB-SFHVURJKSA-N 358.398 1.238 0 40 FDAB C[C@@H]1CCCCN1C(=O)CCn1c(=O)oc2cc(S(N)(=O)=O)ccc21 23192191 GQZQKKFGUDNARN-LLVKDONJSA-N 367.427 1.033 0 40 FDAB O=c1nc2s/c(=C\c3cccs3)c(=O)n2nc1Cc1ccccc1 944783 OAUPIAOJIOIUHP-UVTDQMKNSA-N 353.428 1.711 0 40 FDAB Cc1nnc(COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)o1 103125825 VUJIJDQJJBMWSF-MJBXVCDLSA-N 361.398 1.787 0 40 FDAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 24478911 YYTVJSYLLCTACQ-CYBMUJFWSA-N 364.427 1.130 0 40 FDAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCC(C)C)=C2C 20063916 QCXMKZUUMGKNBY-UHFFFAOYSA-N 368.455 1.987 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(C)c2)C1 25307562 FHBUJKWJPYVFOG-LBPRGKRZSA-N 367.431 1.064 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCc2ccco2)CC1 25774476 OJCAHMBPUDLEDD-UHFFFAOYSA-N 367.427 1.350 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCCC3=CCCCC3)cc2)n1 44892629 SALLRWCRDCQPOV-UHFFFAOYSA-N 354.414 1.822 0 40 FDAB Cc1ccc(OC[C@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 58213376 LSWOFOYTGNGBOE-LBPRGKRZSA-N 368.441 1.758 0 40 FDAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 8752991 RRSWYBRWFAFONF-CQSZACIVSA-N 362.821 1.199 0 40 FDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC(=O)NCc1ccccc1 3497510 BEVARCWDXZTERR-INIZCTEOSA-N 370.361 1.396 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(C)n2N)c(C)c1 12910809 GDMZSHDUOHUPDD-UHFFFAOYSA-N 362.459 1.073 0 40 FDAB Cc1nn(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1Cl 27982022 GBADTNAAUWEMEP-UHFFFAOYSA-N 356.835 1.117 0 40 FDAB C[C@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1ccccc1 8747061 QZBGWPBNRNTYIL-KBPBESRZSA-N 373.478 1.962 0 40 FDAB O=C(NCCCO)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408595611 QWJXGIINMIGHNE-KRWDZBQOSA-N 362.451 1.075 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)s1 69741170 HONUIZWQSFYBOL-GFCCVEGCSA-N 371.528 1.054 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 14128622 OCVCRTITKUIXJZ-ZIAGYGMSSA-N 356.378 1.671 0 40 FDAB COc1cccc(CN(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 14252960 FPKLBDGUSMXRBA-UHFFFAOYSA-N 367.405 1.747 0 40 FDAB Nc1cccc2c1C(=O)N(C(=O)[C@H]1CCCN1C(=O)c1cccs1)C2=O 6550401 DTQDTHVRQZFYKL-GFCCVEGCSA-N 369.402 1.758 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cnccn2)c(=O)[nH]c1=O 14670087 UTIPZNRRGHCXBA-UHFFFAOYSA-N 360.418 1.012 0 40 FDAB C[C@@H](CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCN(C=O)CC1 4704270 JXXGPTQHYPXRHF-ZDUSSCGKSA-N 351.834 1.995 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 408591743 KFLWPRIDRISNNN-QDEBKDIKSA-N 364.155 1.908 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2F)s1 8878810 HQOSSOGOVQCRJD-UHFFFAOYSA-N 356.444 1.909 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccn3)cc2)C1=O 15842716 OTASIAPFEVPKFP-LBPRGKRZSA-N 359.407 1.324 0 40 FDAB Cc1cc(NC(=O)[C@H](OC(=O)c2nccnc2N)c2ccccc2)no1 16119804 SMFVTHCNXRCYHD-CQSZACIVSA-N 353.338 1.892 0 40 FDAB CCCn1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n[nH]c1=O 9053052 YPAGJJBRPNQGRD-JTQLQIEISA-N 364.427 1.507 0 40 FDAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2c1 7942436 VHQKMPUYTSZEGN-VIFPVBQESA-N 373.438 1.214 0 40 FDAB Cc1ccccc1CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 7976420 PLCQYSPFVLFJKC-UHFFFAOYSA-N 357.435 1.740 0 40 FDAB COC[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9368262 KLTRZUWYKXWUKG-LBPRGKRZSA-N 365.455 1.933 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)N2CCSc3ccccc32)C1=O 9483792 YWPCDVJNAJGPAX-NSHDSACASA-N 365.480 1.799 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9544862 JIZHPUPMFUMSMX-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB CCN(c1ccc(C(=O)NCCN2CCCCC2)cc1)S(C)(=O)=O 26111515 WPHHLANJUGSGPQ-UHFFFAOYSA-N 353.488 1.688 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 97260601 WNJUGNQDZTXEMH-OAHLLOKOSA-N 366.439 1.774 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2CCC(C3(C)OCCO3)CC2)cc1 79074970 ADAALXWDAQRDOA-UHFFFAOYSA-N 362.426 1.887 0 40 FDAB CC(=O)Nc1cccc(OCCNC(=O)[C@@H]2CCc3nnc(C)n3C2)c1 95432748 WEVAHCHWJLVBPS-CQSZACIVSA-N 357.414 1.303 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc2c(F)cccc2[nH]1 95464798 ZGKXIICKZXUCHE-HNNXBMFYSA-N 363.389 1.741 0 40 FDAB Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)N1CCCCCC1 95458983 FVONPJJUBJKWRK-OAHLLOKOSA-N 356.492 1.531 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F 73599577 PILBAUXYNUVUND-CVEARBPZSA-N 362.449 1.742 0 40 FDAB COCCc1ccc(OS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 89420253 UYSJQEKJLBQIHD-CQSZACIVSA-N 352.412 1.801 0 40 FDAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 408630225 PRMHWUXODBXWTL-VIFPVBQESA-N 369.270 1.911 0 40 FDAB Cc1ccnc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1 306130285 JBHPEYPCIHJEAD-HNNXBMFYSA-N 363.425 1.761 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(-c3cc4ccccc4[nH]3)n2)c[nH]1 524735783 YMCONGNTJCULKX-UHFFFAOYSA-N 364.365 1.967 0 40 FDAB Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 35401839 SHVNUZCZSGROIK-UHFFFAOYSA-N 366.468 1.061 0 40 FDAB COC(=O)c1c(NC(=O)[C@@]2(C)Oc3ccccc3N=C2O)c(C)nn1C 36359592 WVHJIKRDBHEKPB-KRWDZBQOSA-N 358.354 1.893 0 40 FDAB O=C(Cc1noc(C(=O)NCCc2ccccc2)n1)NCc1ccccc1 36359234 MKEBISBVVPGBBT-UHFFFAOYSA-N 364.405 1.901 0 40 FDAB Cn1cncc1[C@@H]1NC(=O)CC[C@H]1Nc1ncc(Br)cn1 521370285 OZXYTVSBNGKFRO-BXKDBHETSA-N 351.208 1.404 0 40 FDAB CNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217536851 LINXWKNTQORQDA-UHFFFAOYSA-N 364.423 1.956 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)CC1 71279644 QVIAMANKILWNKB-UHFFFAOYSA-N 369.381 1.096 0 40 FDAB COc1cnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 560461718 RPQDYRXBYKQUKS-UHFFFAOYSA-N 352.416 1.687 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCc1nccc(N2CCCCC2)n1 224161864 LWTOVNWAFKGENS-UHFFFAOYSA-N 353.426 1.513 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 225751752 WAZRYBKIPGISTH-UHFFFAOYSA-N 360.385 1.942 0 40 FDAB COc1ccc(/C=C/C(=O)Nc2cnc(N3CCOCC3)nc2)cc1OC 75161828 PSDQMMGDBIZCFH-GQCTYLIASA-N 370.409 1.982 0 40 FDAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4ccnnc4)C3)CC2=O)cs1 96077593 IXNYHZZSTJUFNX-QGZVFWFLSA-N 357.439 1.506 0 40 FDAB CN1CCCN(C(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)CC1 96147310 OAKAEQDIMMEDCP-UHFFFAOYSA-N 355.398 1.003 0 40 FDAB Cn1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)cn1 96043082 AAZQVYNOMHRACG-RYQLBKOJSA-N 355.442 1.111 0 40 FDAB CNC(=O)c1ccn([C@@H]2CCCN(c3ccnc4c3c(C)nn4C)C2)n1 579222099 CCSZTGXKVRAEIO-CYBMUJFWSA-N 353.430 1.674 0 40 FDAB CCCCS(=O)(=O)NC[C@@H]1COCc2c(-c3ccoc3)nnn2C1 96199396 UZFOINBKSLJZTN-LBPRGKRZSA-N 354.432 1.404 0 40 FDAB Cn1nnnc1COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 96101337 ABKCFHZMBGMFQJ-UHFFFAOYSA-N 367.365 1.813 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1nccs1)C2 96050138 PLHHVXDHKHKBPC-LJQANCHMSA-N 370.478 1.983 0 40 FDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 97953827 IYIIQCRZFWRPFF-IPELMVKDSA-N 358.438 1.921 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106912 IWKKSEHLIFYLJO-MRXNPFEDSA-N 354.410 1.852 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1 96113192 RAHCZVJEBMJZNX-MRXNPFEDSA-N 364.423 1.559 0 40 FDAB biogenic,in-vitro O=C1[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@@H]2C(=O)N1Cc1ccccc1 1232430655 AOGXOIJSDXJEBB-IYBDPMFKSA-N 350.422 1.515 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@H](c2cncc(-c3cncn3C)n2)C1 257200149 ACEVTQKBMWRTBF-AWEZNQCLSA-N 363.425 1.995 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3nn(C)c4ccccc34)CC2)n1 253537410 WJAUXFUKSBXUNV-UHFFFAOYSA-N 366.425 1.776 0 40 FDAB CN(C)c1nccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 540488500 UYYOMCFSSFXFEG-MRXNPFEDSA-N 368.441 1.143 0 40 FDAB COc1cccc(CC(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)c1 257322696 WGZYNZZTEKYWCR-QGZVFWFLSA-N 357.410 1.594 0 40 FDAB CCN1CCO[C@@H](CNc2ncnc(N)c2Cl)[C@@H]1c1cnn(C)c1 664312314 JCPFOCBCKFMQQD-AAEUAGOBSA-N 351.842 1.320 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](C1CCCCC1)C(F)(F)F 666779377 JUHYLOIGAGTNLK-IJLUTSLNSA-N 372.409 1.609 0 40 FDAB CC(=O)Nc1c(OCc2cc(=O)n(C)c(=O)n2C)n(C)c2c(C)cccc12 671620762 UVVKDNJAJJOOGL-UHFFFAOYSA-N 370.409 1.422 0 40 FDAB Cc1noc([C@H]2CN(Cc3cnnn3Cc3ccccc3)C[C@@H](C)O2)n1 628445437 ZRUVRAPOLCCADX-CXAGYDPISA-N 354.414 1.980 0 40 FDAB Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1Cn2c(C)nnc2CN1C 644330513 NIVWLMGBFLIFIY-QGZVFWFLSA-N 352.442 1.549 0 40 FDAB C[C@H]1c2ncc(CCOc3cccnc3)n2CCN1C(=O)C1CC(O)C1 585097710 MZSYTDNQSQHVKQ-HLIUYOAVSA-N 356.426 1.574 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21 585111872 DONRCSFZSRWGDJ-QGZVFWFLSA-N 364.453 1.994 0 40 FDAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CC[C@@H](O)C1)C2 585103793 JXUKSLJADWYJOE-MOPGFXCFSA-N 374.481 1.399 0 40 FDAB COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1 96025799 ZJYXDFQMUDAADZ-QGZVFWFLSA-N 367.471 1.318 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)c(O)n1 1615143999 YCGUMOLASGBKCU-HXUWFJFHSA-N 356.422 1.850 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 1629001156 COFXXGFBDNEJHY-HNNXBMFYSA-N 359.451 1.949 0 40 FDAB COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)NCC(=O)O 3077593 HLDYWUMHQACVJZ-PTNGSMBKSA-N 354.362 1.667 0 40 FDAB O=C1OC[C@H](COC(=O)c2cccc(C(=O)OC[C@@H]3COC(=O)O3)c2)O1 149240643 SFRGFIRELCGFHG-TXEJJXNPSA-N 366.278 1.071 0 40 FDAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 5240449 ZBGBWHDGQQXCQA-ZDUSSCGKSA-N 372.377 1.819 0 40 FDAB C[C@@H]1[C@@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 5663363 IGKWESNBSFVVHE-FKFBTHAMSA-N 354.487 1.053 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904686 ITXYVTXANBQIBQ-GFCCVEGCSA-N 374.484 1.447 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N[C@H]1CCCOC1 12086864 AKHSGWRLFCQBCT-HNNXBMFYSA-N 374.437 1.366 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 12146643 VWXLRCMHTZIPJB-UHFFFAOYSA-N 368.349 1.131 0 40 FDAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnn2cccnc12 12182743 JBOZIZONVRLEJZ-CQSZACIVSA-N 362.393 1.648 0 40 FDAB COc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1-n1cnnn1 15935472 IUYVPVCSJRDHAK-UHFFFAOYSA-N 363.374 1.289 0 40 FDAB Nc1nnc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)s1 19655344 BKGFHZJKEXRYDF-UHFFFAOYSA-N 360.468 1.621 0 40 FDAB Cc1cc2ncc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)c(N)n2n1 19664233 KGAPBXGGHQCJMV-MRXNPFEDSA-N 364.453 1.839 0 40 FDAB O=C(Cc1ccc(F)cc1Br)NC1CN(c2cnccn2)C1 1888859939 XSKBYCMFCAGBCN-UHFFFAOYSA-N 365.206 1.926 0 40 FDAB Cc1nc2ccccc2nc1N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888897415 PNPZDNPAKHUPHH-BETUJISGSA-N 364.409 1.712 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccn4nccc4n3)C[C@H]2C1 1888921865 GCCBGHXACUIHPR-GJZGRUSLSA-N 369.450 1.486 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3nc(C)nc4c3CCC4)CC2)n1 1889091504 CWCYKMHLHSXBRH-UHFFFAOYSA-N 353.474 1.765 0 40 FDAB C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(S(C)(=O)=O)cc1 31497621 YFWKCWJNLGOLDQ-LBPRGKRZSA-N 371.422 1.557 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)o1 1614935066 TVCVGUJMVOERNA-GOSISDBHSA-N 373.413 1.133 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565548036 PTBCVYYHTKEDLK-PIIMJCKOSA-N 357.454 1.167 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)NCc2cccs2)c1=O 38533082 QWICXAFJLALNGC-UHFFFAOYSA-N 358.427 1.205 0 40 FDAB Cc1ncn(CC2CCN(c3cc(=O)n4ccccc4n3)CC2)c(=O)c1C 585632151 QUVVUDBRPMKTEW-UHFFFAOYSA-N 365.437 1.785 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1 40088438 MYAVQISXXKHAAN-HNNXBMFYSA-N 356.463 1.936 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1F 40113928 ZSLPNPQSFVBHHD-AWEZNQCLSA-N 373.432 1.842 0 40 FDAB COC(=O)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C 30697266 MZEMFBSVHRDRPI-UHFFFAOYSA-N 352.188 1.846 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 1960658 XSCHVDVGKQMWIM-UHFFFAOYSA-N 368.345 1.473 0 40 FDAB CC(C)CCN1C(=O)C[C@@H](N(C)Cc2nc3ccsc3c(=O)[nH]2)C1=O 32771876 NCNQCDPNBVEVGG-GFCCVEGCSA-N 362.455 1.590 0 40 FDAB CCOC(=O)[C@H]1C(=O)C(=O)N(Cc2ccc(OC)cc2)[C@@H]1c1cccnc1 2389590 BLZYEXMGSMGVAG-IAGOWNOFSA-N 368.389 1.922 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(=O)N(C2CCCC2)C1 21589510 DYTSGQKASWRIGP-AWEZNQCLSA-N 358.442 1.648 0 40 FDAB CCn1nc(-c2ccccc2Br)nc2c(=O)n(C)c(=O)nc1-2 4512038 KHBJUYQOMCRPHB-UHFFFAOYSA-N 362.187 1.286 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)C1 4895369 PXZFTQIYTKXVSW-HDICACEKSA-N 364.534 1.121 0 40 FDAB COc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940737 SXLZWBYUAOSCMO-LLVKDONJSA-N 360.391 1.867 0 40 FDAB COc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1OC 6826513 GAKXEHBWHBGHAH-UHFFFAOYSA-N 369.377 1.507 0 40 FDAB CCC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914243 YRDVOMQCVUHRFU-SECBINFHSA-N 350.234 1.968 0 40 FDAB Cc1cc2occ(CC(=O)N3CCN(S(C)(=O)=O)CC3)c2cc1C 53316014 JYLDERULGDATNP-UHFFFAOYSA-N 350.440 1.696 0 40 FDAB Cc1cc(C)n(CCNC(=O)Cn2nc(C)c(Br)c2C)n1 28573842 HQSJCEHTOUMVCY-UHFFFAOYSA-N 354.252 1.892 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1cccs1 22759472 CDZBHYPPESAPGS-HNNXBMFYSA-N 356.451 1.877 0 40 FDAB Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)cn1 76432981 OPWOMIQXUPNOMF-QGZVFWFLSA-N 364.405 1.460 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](CO)C2 100393535 LFXDNMUTEKCZOC-IKNZEBFPSA-N 369.461 1.908 0 40 FDAB biogenic,in-vitro C[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 941603 IMSQTYSMWXQGGA-NSHDSACASA-N 370.336 1.992 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)/N=c2\ccccn2Cc2ccccc2)CC1 104753325 XITRCNUTLMCYGN-CZIZESTLSA-N 373.478 1.635 0 40 FDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2nnc3n2CCC3)CC1 42502766 GYFGNGBWTSGELS-UHFFFAOYSA-N 363.462 1.530 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)[C@H]2CC[C@](C)(C1=O)C2(C)C 100773115 UNEQCWOUQAIUAA-FOIQADDNSA-N 374.485 1.807 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 3008197 GUBIEICMMBVYKB-CQSZACIVSA-N 368.455 1.483 0 40 FDAB CCOCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244815 ZIXBNQYPNJARJO-UHFFFAOYSA-N 371.503 1.459 0 40 FDAB C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(F)cc1 35286937 LMUXEBDMKQPHPU-YOEHRIQHSA-N 363.433 1.326 0 40 FDAB CCS(=O)(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108533449 SITCXJYUHOZTHS-UHFFFAOYSA-N 351.472 1.636 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)Nc1cccc(-n2nnnc2SC)c1 58097683 HTUDZSKHCHCSMG-JTQLQIEISA-N 363.447 1.420 0 40 FDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 58203057 WRGSSZPTYAIFPC-CYBMUJFWSA-N 363.501 1.823 0 40 FDAB C[C@@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)S(C)(=O)=O 48173813 WDGHEEFPGHPQLU-ZDUSSCGKSA-N 374.890 1.296 0 40 FDAB Cn1ccs/c1=N\C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 25316486 XBGPQVQILQRGIZ-ZCXUNETKSA-N 356.407 1.463 0 40 FDAB O=C(Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 48252521 NDCJXNLXCDAUQO-LBPRGKRZSA-N 353.831 1.958 0 40 FDAB C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCC1 48355667 KHSGUASVIFANCW-RDJZCZTQSA-N 365.499 1.440 0 40 FDAB O=C1CN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CCN1 8745628 VYJDACVTYWYWIM-UHFFFAOYSA-N 373.722 1.236 0 40 FDAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 39998340 OVSVNRJKDXKORI-ZDUSSCGKSA-N 364.423 1.787 0 40 FDAB CCNC(=O)NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 6373555 FORBIXNRTNZWJA-UHFFFAOYSA-N 362.411 1.758 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1 65487930 CGEHJOVLBQHOHZ-ZDUSSCGKSA-N 352.456 1.332 0 40 FDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)n1 5332517 RUUCFQCUDZHBKH-SREVYHEPSA-N 362.367 1.165 0 40 FDAB CCNC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6551477 YRUNNVVANGUHAB-UHFFFAOYSA-N 373.386 1.357 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1cccc(F)c1F 8547782 FFOBLKXDTRPZBH-UHFFFAOYSA-N 360.338 1.591 0 40 FDAB COC(=O)N1C[C@H](O)[C@@H](NCCCc2ccccc2)CN1C(=O)OC 4863014 LRCGOYJUWYBPGW-GJZGRUSLSA-N 351.403 1.004 0 40 FDAB C[C@H](C(=O)N1CCOCC1)N1CCC(C(=O)Nc2ccccc2O)CC1 15043706 HOBYOPICEIMHOJ-CQSZACIVSA-N 361.442 1.290 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cc1C 4937819 ZGHOSOKGVGMEGM-CYBMUJFWSA-N 366.439 1.970 0 40 FDAB Cc1noc(C)c1CCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7147041 OBDYELXANPGEGN-GFCCVEGCSA-N 359.382 1.893 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O 7320615 HZLPORNHDLBQHY-UHFFFAOYSA-N 360.414 1.031 0 40 FDAB CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 68251480 LNBUALNGKGCXHP-KRWDZBQOSA-N 372.469 1.094 0 40 FDAB COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCCCC[C@@H]32)C1=O 8995876 RRPYSQVNBDELNG-OXQOHEQNSA-N 371.437 1.703 0 40 FDAB Cc1nn(CC(=O)N2CCCCCC2)c(C)c1S(=O)(=O)NC(C)(C)C 7785661 ZTGSURBMXHCTOT-UHFFFAOYSA-N 370.519 1.979 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179509 IPZSANSNCDEBRJ-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7938072 NCGPLEOKZOJWBG-NWDGAFQWSA-N 352.412 1.561 0 40 FDAB CN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc(F)cc1 116861303 YDXMEPWGWABXFN-UHFFFAOYSA-N 364.398 1.872 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3CC(C)=O)CC2=O)cc1 96011967 SISHUIFBFZHPRB-FUHWJXTLSA-N 358.438 1.808 0 40 FDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc2c(c1)OCCO2 71405408 ASTIISLWFSGESD-NSHDSACASA-N 364.383 1.151 0 40 FDAB O=C(NCCCn1cnc2ccccc21)N1CCN(c2ncccn2)CC1 9319436 NPHUEFJJNLKKNV-UHFFFAOYSA-N 365.441 1.748 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCCN(c3nccs3)CC2)C[C@@H](C)O1 71830500 ALTNJGPPAOQPLT-QLFBSQMISA-N 352.504 1.680 0 40 FDAB O=C(NS(=O)(=O)c1cccs1)[C@H]1CSCN1C(=O)C1CCCC1 72310859 HKJDTAZTAGPTJR-LLVKDONJSA-N 374.509 1.645 0 40 FDAB COC(=O)COc1ccc(NC(=O)C(=O)N2CCCSCC2)cc1 95365138 HDNFNILGSHUKSU-UHFFFAOYSA-N 352.412 1.142 0 40 FDAB CN(C)c1ncc(Br)cc1C(=O)NCc1cccc(=O)[nH]1 95458596 HOIOLYKWZCWFKO-UHFFFAOYSA-N 351.204 1.528 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](OCCCc2ccccc2)C1 79940151 KQTFEDJUUUPDQF-SJORKVTESA-N 366.483 1.607 0 40 FDAB Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)nc2nc(O)[nH]c(=O)c12 74678053 MVIXMYACBPKQNO-AWEZNQCLSA-N 364.405 1.962 0 40 FDAB CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2CC)C1 546251442 RZZMZVGMRHKLMV-CQSZACIVSA-N 368.455 1.627 0 40 FDAB CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 306123471 AODHQLWZAFNRIE-LSDHHAIUSA-N 369.473 1.252 0 40 FDAB Cc1c(CCC(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)cnn1C 501656699 SERCTBUYYYIUOE-WBMJQRKESA-N 359.430 1.910 0 40 FDAB Cn1nccc1[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCC(=O)N1C1CC1 502302231 CKORJBZJJIOVDD-CXAGYDPISA-N 357.389 1.579 0 40 FDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)s1 306139652 TWPLERZTPMFQFU-APHBMKBZSA-N 356.513 1.585 0 40 FDAB C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NC(c2nccn2C)c2nccn2C)C1 527613944 KXSHCVPWPDSTDU-AAEUAGOBSA-N 353.430 1.448 0 40 FDAB CCN(CC)CCOc1ccccc1CNS(=O)(=O)[C@H]1CCOC1 74368553 XZDVNHIMZGJIFU-INIZCTEOSA-N 356.488 1.616 0 40 FDAB Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nc2nc(O)nc(O)c12 534364190 YOQXFWOARARRCQ-HONMWMINSA-N 370.409 1.822 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 32641388 HARLPYRKPJMZCH-HIFRSBDPSA-N 353.440 1.115 0 40 FDAB O=C(O)CSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1 72328147 KZBIRLSUMMGNAV-UHFFFAOYSA-N 358.379 1.967 0 40 FDAB CCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 72241392 DTBLMWUXNYFWNZ-IRXDYDNUSA-N 365.861 1.402 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCc3ccccc3)ccc21 49548231 WJEABIWAJZSKBT-UHFFFAOYSA-N 352.394 1.174 0 40 FDAB COc1cccc(NC(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)c1 85436108 MEJFTIGTLXMPPI-MRXNPFEDSA-N 374.441 1.828 0 40 FDAB biogenic,in-vitro NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc1 48229607 OIMSANRHVZGRAF-UHFFFAOYSA-N 359.329 1.678 0 40 FDAB Cc1cc(N2CCC(NC(=O)c3ccc(N4CCOCC4)cc3)CC2)n[nH]1 225751231 PUCSYBTXFWTYMF-UHFFFAOYSA-N 369.469 1.954 0 40 FDAB CCS(=O)(=O)N1CCC(OC)(c2nc(C3CCOCC3)no2)CC1 331668613 NMOKCLOZGIUWQD-UHFFFAOYSA-N 359.448 1.251 0 40 FDAB CC1CCC(N2C[C@H](C(=O)N(CC(=O)O)C3CCOCC3)CC2=O)CC1 532602455 DURXEMUHJFHSFH-SHARSMKWSA-N 366.458 1.506 0 40 FDAB Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)nn1 96103652 UPCUPGITFFIUKF-ZDUSSCGKSA-N 355.398 1.845 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 583623767 GWTPUJGAZJNRCL-OHNRDTAOSA-N 374.437 1.865 0 40 FDAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OCC2(C)C)n1 257297616 RIDFYNQTZVDMME-UHFFFAOYSA-N 368.459 1.659 0 40 FDAB Cc1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)n1C 257366555 MCTPOWGTEQWPBS-QOKNQOGYSA-N 368.485 1.741 0 40 FDAB COc1ccccc1Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccn1 257236595 HCXHMXILLGKQQI-OAHLLOKOSA-N 360.435 1.598 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 623287848 LFNGYVGEIURGOJ-DYVFJYSZSA-N 351.406 1.634 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)CCOc2ccccc2Cl)C1 644044825 UKYUVKJSGMPJMF-QGZVFWFLSA-N 354.834 1.599 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2nnn(-c3ccccc3)c2C)C1 644118304 FLBWAKNRTVATPQ-CABCVRRESA-N 352.398 1.901 0 40 FDAB Cc1noc(COC2CN(C(=O)c3ccc(O[C@H]4CCOC4)cc3)C2)n1 644210524 RNDGVRRVMRXTGT-HNNXBMFYSA-N 359.382 1.587 0 40 FDAB O=C1[C@H](NC2CCN([C@@H]3CCOC3)CC2)CCN1Cc1ccc(F)cc1 655759430 AAJJHLQDAUBSGU-RTBURBONSA-N 361.461 1.770 0 40 FDAB CSCC(=O)N1CC2(C[C@@H](CCOc3cncc(C)n3)CCO2)C1 575403831 JYGGBYQDTYQNIA-AWEZNQCLSA-N 351.472 1.925 0 40 FDAB O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)C1 575420852 FCSUPQHQRDODQL-ZIAGYGMSSA-N 359.469 1.043 0 40 FDAB COC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@@H]12 585108903 CNPYFXORMDEZPL-JQFCIGGWSA-N 363.433 1.353 0 40 FDAB O=C(NCc1cscn1)C1=NO[C@]2(CCCN(c3cnccn3)C2)C1 585101325 YLJIYYUEQPKYSO-MRXNPFEDSA-N 358.427 1.365 0 40 FDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 585287642 PXAIQPYKKSVWJS-WMZOPIPTSA-N 373.852 1.961 0 40 FDAB O=C1CSC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)=N1 16804960 DKCUCBAMRIOUKT-UHFFFAOYSA-N 354.438 1.985 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 19375853 CAMXWJKXSDWTFN-CYBMUJFWSA-N 354.410 1.252 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(CN)cc3)C2)cn1 19699051 KPAFGPSQDRLVPM-DLBZAZTESA-N 362.437 1.990 0 40 FDAB COc1cccc(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)c1 19708945 HLMPXMWOSPNLIN-UHFFFAOYSA-N 369.469 1.794 0 40 FDAB CC(=O)N[C@]12CNC[C@H]1CCN(C(=O)C(C)(C)Oc1cccc(C)c1)C2 19713570 RHUULCZAWYFNFG-UZLBHIALSA-N 359.470 1.479 0 40 FDAB CC(C)n1c(N2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nc2ccccc21 1888904130 XXYGBWGZVARCPB-KBPBESRZSA-N 365.441 1.944 0 40 FDAB CC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1C(N)=O 1848353771 WDRMFDFDNXIJPJ-QGZVFWFLSA-N 356.426 1.035 0 40 FDAB Cn1cnc(CN2CCC3(CC2)CC(=O)NCCc2ccccc2N3)c1 2037985206 BGLRVTWWPHIVPI-UHFFFAOYSA-N 353.470 1.929 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@H]3C2)nc2ccccc21 2087045507 ZAYZMNDGTSEMLE-KBPBESRZSA-N 365.441 1.393 0 40 FDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2 1565544574 NJRHUISTTLOFPD-UHFFFAOYSA-N 360.458 1.585 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)[C@@H]3CCOC3)C2)C1 1565552929 DRKGRMKDXUSCGW-ACJLOTCBSA-N 358.398 1.194 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1cccc(F)c1)CCO2 1565542342 NIEJTFQRVCYJIV-UHFFFAOYSA-N 356.419 1.092 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565551526 OOEUWRVBUYBGAC-BWTSREIZSA-N 371.481 1.415 0 40 FDAB C[C@]1(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)CC=CCC1 1565546232 XDQWNEKAVVXFCK-WBVHZDCISA-N 370.515 1.822 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1C 5187442 BRDXZJDSAJSJGU-INIZCTEOSA-N 373.453 1.957 0 40 FDAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)n(C)n1 12229327 NKJIAMDGNUJYJC-UHFFFAOYSA-N 361.471 1.908 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccc(F)cc2)C1 2055772288 RIRUPGTXJPBHBC-GOSISDBHSA-N 360.389 1.165 0 40 FDAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2ccccn2)CC1 2055708071 DCEHLPGOXWOXQJ-UHFFFAOYSA-N 367.375 1.948 0 40 FDAB NC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 22628245 WUNGCYXPANLDLB-UHFFFAOYSA-N 368.418 1.682 0 40 FDAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)O)[nH]c2=O)cc1 5082076 KKJLRMBTUVBXIG-UHFFFAOYSA-N 364.383 1.180 0 40 FDAB CS(=O)(=O)NCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 51182337 BPNVFVYVQWPSKH-UHFFFAOYSA-N 350.444 1.208 0 40 FDAB CC(C)(C)C(=O)NC[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 4610742 JWVOMBSRRJBJRP-DSEONOSFSA-N 354.406 1.662 0 40 FDAB CCc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 46945689 QEMOBNGQQAWJLY-OAHLLOKOSA-N 351.472 1.843 0 40 FDAB CCn1ncc(NS(=O)(=O)c2cccs2)c1C(=O)N1CCOCC1 2804378 RUMYCQLDQOCAMI-UHFFFAOYSA-N 370.456 1.238 0 40 FDAB CN(C)CCCN[C@@H](C(=O)O)c1cn(CC(=O)O)c2cc(F)ccc12 104897302 UCCRDBUGICEDDD-MRXNPFEDSA-N 351.378 1.532 0 40 FDAB C[C@@]1(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CCS(=O)(=O)C1 8342630 YJKNTLIWENSNGK-OAHLLOKOSA-N 359.831 1.808 0 40 FDAB C[C@H](NS(=O)(=O)N1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 23404373 NFJVHXFDYJAAMC-ZDUSSCGKSA-N 360.501 1.862 0 40 FDAB NS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc1 23804924 WPFQYGDMXNGZJF-AWEZNQCLSA-N 361.423 1.842 0 40 FDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)NCC(F)(F)F 3280799 KPYOVEFACIVRSI-UHFFFAOYSA-N 363.340 1.492 0 40 FDAB COC(=O)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)OC 24829509 CRTXBEKZCPLAPX-LBPRGKRZSA-N 357.790 1.718 0 40 FDAB CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C 1392989 XCBSGAGPIUDPSL-NSHDSACASA-N 363.277 1.888 0 40 FDAB Cn1cc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1C(N)=O 56106605 AOVHONPHLWLXTL-UHFFFAOYSA-N 351.428 1.851 0 40 FDAB COCCOC[C@@]1(CNCc2cn(C)c3ccccc23)C[C@H](O)[C@H](O)C1 107430830 YCBHGCFEYWVJDQ-ACDBMABISA-N 362.470 1.433 0 40 FDAB biogenic,in-vitro O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(F)cc1Br 44502517 YACFYVLJWJLGGT-SECBINFHSA-N 351.241 1.866 0 40 FDAB Cc1ccc(OC[C@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)c1 25241837 TTYBIYUMCWUGNA-MRXNPFEDSA-N 367.409 1.496 0 40 FDAB COc1ccc(CNC(=O)NCc2cccnc2N2CCN(C)CC2)cn1 58282447 GINDXYRSLVMLRA-UHFFFAOYSA-N 370.457 1.236 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21 58217961 LBBCSRVTCQLVAW-UHFFFAOYSA-N 356.470 1.817 0 40 FDAB CC(=O)NCCNC(=O)Cn1c(C)c(Br)c2ccccc21 48365785 QTHPEMQTNRGHOP-UHFFFAOYSA-N 352.232 1.965 0 40 FDAB CCOC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 28220485 IJRHXWJMJCKGLD-UHFFFAOYSA-N 357.428 1.860 0 40 FDAB C[C@H]1C[C@@H](Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C(=O)O1 12898298 IHOPFCXVLBGJDO-QPUJVOFHSA-N 356.425 1.874 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)s1 45958420 BQZSMCLRVSGTCR-ZDUSSCGKSA-N 358.485 1.377 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl 6100762 WAEAXAVQOLYLPU-UHFFFAOYSA-N 372.164 1.893 0 40 FDAB CCCS(=O)(=O)N[C@H]1CCN(CC2CC2)S(=O)(=O)c2ccccc21 306128374 GYQXCIBQASVZNM-HNNXBMFYSA-N 372.512 1.862 0 40 FDAB C[C@H]1CN(C(=O)COc2ncnc3c2cnn3-c2ccccc2)C[C@H](C)O1 6999896 FWCOCRYJCVZLFT-KBPBESRZSA-N 367.409 1.830 0 40 FDAB Cc1nc(-c2cccc(F)c2)n(CC(=O)N2CCCC2)c(=O)c1CCO 67316659 CFWABHQFBMRCBY-UHFFFAOYSA-N 359.401 1.515 0 40 FDAB CCNC(=O)NC(=O)COC(=O)c1c(NC(=O)C2CC2)sc(C)c1C 7283175 DUQWHVSAHKEVKI-UHFFFAOYSA-N 367.427 1.716 0 40 FDAB Cn1nc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc2c1=O 7669280 RDMSRPCAHYWHKW-UHFFFAOYSA-N 364.405 1.602 0 40 FDAB O=C(Nc1nn2cnnc2s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 8324162 FWOYSLUKKBFXDN-GFCCVEGCSA-N 356.411 1.216 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CC1 9516091 PHVNJPITOOVTLI-SNVBAGLBSA-N 358.427 1.864 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1nnnn1-c1ccccc1 71801213 BCQOACXRSDZSRP-CANCMXDXSA-N 355.423 1.938 0 40 FDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3ncon3)cc2)C1 95393084 VPQRPCLVGDPKBH-CJNGLKHVSA-N 372.425 1.740 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cccs1 22023442 XLEXANOSINQXQE-VIFPVBQESA-N 358.466 1.535 0 40 FDAB O=C1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)[C@H]2CCCC[C@@H]2N1 79102451 BYEWCFAZLRURLJ-ROUUACIJSA-N 365.433 1.780 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 89312084 HZVQKKZYXGLZDM-AWEZNQCLSA-N 358.398 1.144 0 40 FDAB Cc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1 89718119 NJWODGBWMIKGJR-MRVPVSSYSA-N 372.834 1.773 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408597683 VULFGMNSEFFXDP-CQSZACIVSA-N 370.471 1.343 0 40 FDAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCCC1)S(C)(=O)=O 22252120 SGVJFIYIZKGROZ-UHFFFAOYSA-N 356.444 1.726 0 40 FDAB Cc1noc(C2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)n1 515407342 MEICXDNNZZFQLL-UHFFFAOYSA-N 351.384 1.645 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 33938626 UMBNESFENUNIQZ-NUXNZHGMSA-N 364.829 1.927 0 40 FDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1 72354339 PIQIOEXHYGRNPM-ZDUSSCGKSA-N 362.459 1.766 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC(=O)NC1CCCCC1 34879015 NHRUNMHTMKERQV-UHFFFAOYSA-N 362.430 1.196 0 40 FDAB O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccccn2)CC1 45550449 FIOILYCLVWWSOR-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB CCOCCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 225571034 GTZTYTRKYYANFW-UHFFFAOYSA-N 372.487 1.784 0 40 FDAB CCCN1C(=O)N[C@@H](Cc2ncnn2-c2ccc(F)c(Cl)c2)C1=O 91690212 SNZFOGWWJXJCRC-LBPRGKRZSA-N 351.769 1.933 0 40 FDAB CC(C)NC(=O)N1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260404 POFRVRIBHLKPSQ-UHFFFAOYSA-N 373.501 1.902 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248093566 CNPQLLVHIADDDV-GYQJYAJYSA-N 369.465 1.715 0 40 FDAB O=C1CCCN1C[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21 247955996 NLVGYOWPDRMDFI-HNNXBMFYSA-N 360.439 1.251 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CCc2cccs2)C1 257256332 KKZNDLXJJUEZRF-LLVKDONJSA-N 353.469 1.823 0 40 FDAB Cn1c(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)nc2ccccc21 257337220 YRXTXLXPCPMQAY-HNNXBMFYSA-N 353.426 1.903 0 40 FDAB CCCn1ccc(C(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257226871 FMMZKQXUYSZLJP-LLVKDONJSA-N 351.432 1.049 0 40 FDAB Cc1nn(C)cc1CN1CCc2c(O)nc(N3C[C@H](C)O[C@@H](C)C3)nc2C1 257203281 APIHQADWSBXXQP-STQMWFEESA-N 372.473 1.396 0 40 FDAB O=S(=O)(C1CCCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257330281 XNRHFSGYMRAVMP-CQSZACIVSA-N 352.447 1.427 0 40 FDAB CO[C@@H]1CN(C(=O)c2cccc(Cn3ccnc3)c2)C[C@H]1c1cnn[nH]1 622166788 XKJDEJNHPRGXOH-DOTOQJQBSA-N 352.398 1.304 0 40 FDAB Cc1cn2c(n1)C[C@@H](C(=O)N1CSC[C@H]1C(=O)NCC(C)C)CC2 624965376 ONBKDIOTMSKPJF-KBPBESRZSA-N 350.488 1.428 0 40 FDAB Oc1nc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc2c1cnn2-c1ccccc1 626139336 GLGGBBCHROGOFT-XGWLTEMNSA-N 351.410 1.866 0 40 FDAB O=C(c1c[nH]nc1C1CCCCC1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704338188 NHOSCOVOWUPKIG-RHSMWYFYSA-N 355.442 1.923 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96380533 NFXLZQRSQCJCLM-UHFFFAOYSA-N 363.391 1.506 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H]1CO)C2 585105148 ZOVURXNGYMSIRJ-PKOBYXMFSA-N 374.481 1.860 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 585285012 NCPOPVSJQQRSKS-PZJWPPBQSA-N 354.450 1.343 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112058 KOTUYDSGBOIZSO-HNNXBMFYSA-N 354.863 1.643 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCCn3cncn3)CCO2)cc1 585277639 JQQPMKLKUCZGRI-LJQANCHMSA-N 358.442 1.199 0 40 FDAB Cc1ccccc1OCCC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 685943526 XYOVXUDXUDNRCE-ARFHVFGLSA-N 358.442 1.563 0 40 FDAB O=C(OCCn1cccn1)c1ccc(=O)n(CCOc2ccccc2)n1 52766116 SVPIWDWSJPYUCG-UHFFFAOYSA-N 354.366 1.376 0 40 FDAB Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)ccc1F 78529889 OLGSVDUHEPGSGG-CQSZACIVSA-N 358.460 1.724 0 40 FDAB CC(C)(O)CC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615121142 NEUVYDNEBJFXHR-LJQANCHMSA-N 364.417 1.711 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Br)ccc1Cl 5652352 ZOHOFNNSHRGSHL-UHFFFAOYSA-N 361.579 1.811 0 40 FDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5197299 CSKPRMWFVVPYDF-JTQLQIEISA-N 367.383 1.123 0 40 FDAB CCCc1n[nH]c(SCc2nnc3n(C)c(=O)c4ccccc4n23)n1 11275340 GPDSIFGKIIHVRI-UHFFFAOYSA-N 355.427 1.944 0 40 FDAB CN1[C@@H](C(=O)NCCc2ccccc2)C[C@@H](c2ccco2)NS1(=O)=O 12130074 XVXZOSFJICOFNP-LSDHHAIUSA-N 363.439 1.218 0 40 FDAB COC(=O)c1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 12533767 MGLAYISNCVNCES-UHFFFAOYSA-N 363.377 1.980 0 40 FDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(N)=O 12904919 OBRGJHVUJHIQOU-LLVKDONJSA-N 356.444 1.070 0 40 FDAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc(C(F)(F)F)c1 13636881 MNGNIHLMTZCEOY-VHSXEESVSA-N 362.329 1.719 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cccnc21 19373401 YLPHEKAUXARQJE-OAHLLOKOSA-N 365.437 1.785 0 40 FDAB CCn1cc(CN2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)cn1 19524949 VNCJMDLICGBIDP-ZDUSSCGKSA-N 350.854 1.658 0 40 FDAB CCCn1nc(C)c(-c2cc(C(=O)N3CCNC(=O)[C@@H]3CC)[nH]n2)c1C 19719273 IWLQRTYUMZCDTG-HNNXBMFYSA-N 358.446 1.651 0 40 FDAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 11997305 YBAIZKRLQBAXSV-MRXNPFEDSA-N 373.434 1.577 0 40 FDAB CC(C)N1C[C@H](C(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)CC1=O 12220183 SPQSFKAVCPDIMK-LSDHHAIUSA-N 369.469 1.931 0 40 FDAB CCOc1cc(C(=O)N2CCNC(=O)[C@H]2C)cc(OCC)c1OCC 12443686 DJBWHCFKAIFWIT-GFCCVEGCSA-N 350.415 1.843 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc2C1 3448357 RPFLDHZNMCVVDP-ZDUSSCGKSA-N 369.446 1.699 0 40 FDAB COc1ccnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888844002 MWTMJWUPXOREAP-UHFFFAOYSA-N 356.430 1.496 0 40 FDAB O=c1cc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)nc2ccccn12 1888890976 CJTCUDVFKZDACI-UHFFFAOYSA-N 374.351 1.454 0 40 FDAB O=C(c1cncnc1)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037985160 ZOIVMHBYPFIFCK-QAPCUYQASA-N 356.401 1.983 0 40 FDAB CCc1cnc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc1 2087018096 JXPUFKQFDLMGNY-UHFFFAOYSA-N 350.430 1.556 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccc(Cl)c1 9571278 HCYASEWEOJZFKH-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB CCOc1ccc(-n2nnc3c(N4CCN(C(C)=O)CC4)ncnc32)cc1 9851235 KEGTYXKHWJGIDI-UHFFFAOYSA-N 367.413 1.278 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(CC(=O)NCc3ccco3)C2)o1 2055754641 LQNSWZMOCRXVJE-KUHUBIRLSA-N 358.394 1.976 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3ccccc3)CC2)no1 23127421 SMXXOMDJFKEFOD-UHFFFAOYSA-N 356.426 1.950 0 40 FDAB Cc1ccc(NC(=O)CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc1 2086867529 WWLGBYAHALVZPW-INIZCTEOSA-N 363.483 1.210 0 40 FDAB O=C(/C=C/c1ccco1)NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 22471061 YCISBVNOYNVAFT-CMDGGOBGSA-N 366.377 1.466 0 40 FDAB Cn1c(O)c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 5521405 WKJZKFQTAAWEQZ-UHFFFAOYSA-N 352.346 1.903 0 40 FDAB COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 30694501 CGYLFUDMBFXZPG-OAHLLOKOSA-N 354.406 1.981 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(NC(=N)N)=NC1=O 20102071 TXYUCDZJZOOPCM-SECBINFHSA-N 355.807 1.158 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 20762258 VEENBCUNRMIKGF-QFYYESIMSA-N 372.381 1.357 0 40 FDAB biogenic CN(C)c1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 1223096 LBWWKNDGNUNPEQ-UHFFFAOYSA-N 354.389 1.862 0 40 FDAB CCOC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 1653968 BDYWKUSEZMEPPR-UHFFFAOYSA-N 353.386 1.397 0 40 FDAB in-vitro Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102125446 TYHDZMLRULCORU-IYBDPMFKSA-N 372.421 1.960 0 40 FDAB COC(=O)c1c(SCC(=O)Nc2ccc(F)cc2F)nc(=O)[nH]c1C 32747176 GIKAPVLGQKNGFT-UHFFFAOYSA-N 369.349 1.874 0 40 FDAB COc1ccc(OC)c2c1CN(c1nnnn1-c1ccccc1)C[C@@H]2O 32808464 KWRRJUSDWKKETG-AWEZNQCLSA-N 353.382 1.733 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc[nH]c1=O 21899219 FUUGOTQBYYGGQJ-UHFFFAOYSA-N 363.395 1.117 0 40 FDAB COC(=O)c1nnn(Cc2ccc(Br)cc2)c1C(=O)OC 643670 VHGBOYMLTQVAGY-UHFFFAOYSA-N 354.160 1.662 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCOc1ccccc1 894406 XAKQLGCDOVDUBM-UHFFFAOYSA-N 365.187 1.265 0 40 FDAB CS(=O)(=O)c1nc2ccccc2n1Cc1cc(=O)n2ccccc2n1 12560086 ANFAHNORURFUTP-UHFFFAOYSA-N 354.391 1.496 0 40 FDAB CCCn1c(CCC(=O)N2CCCC2)nc2cc(S(N)(=O)=O)ccc21 12548095 WHMZYKKZYYVVCO-UHFFFAOYSA-N 364.471 1.649 0 40 FDAB CCn1ncc(Cn2cc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)c1C 102015866 PPQOYZMMWPSTTC-JONQDZQNSA-N 373.413 1.273 0 40 FDAB Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)n1 106179896 PPJUTKDPDFRMOO-INIZCTEOSA-N 352.442 1.815 0 40 FDAB O=C1CN(S(=O)(=O)c2cccc(NCc3ccccc3F)c2)CCN1 55854373 QNWQICHAOVFBDN-UHFFFAOYSA-N 363.414 1.558 0 40 FDAB Cc1nsc(N2CCCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 108351679 ZAJROQCEDSEYSW-CHWSQXEVSA-N 373.548 1.581 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)N1CCNC1=O 22380205 BXAADUQEZJFFLC-NSHDSACASA-N 364.357 1.995 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 58392275 VVKXIZKHGPZGRM-MRXNPFEDSA-N 351.422 1.805 0 40 FDAB CC1(C)Cc2c(sc3ncn4nc(CCC(=O)O)c(=O)nc4c23)CO1 2258723 JYIQDPMEYZRNMH-UHFFFAOYSA-N 360.395 1.568 0 40 FDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 4044311 PUMJNICRYBBUFL-MCYUEQNJSA-N 350.168 1.820 0 40 FDAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C1=NNC(=O)CC1 6159363 WSAHPVCTNBBBOL-UHFFFAOYSA-N 361.398 1.740 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 4451532 LJPFIMAXXINCGI-UHFFFAOYSA-N 363.439 1.465 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NC(=O)c1ccccc1 4462696 UMSVFKWWALQNGL-UHFFFAOYSA-N 370.386 1.844 0 40 FDAB COC(=O)NCC(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 65553988 OBHGRCDTIJENKR-UHFFFAOYSA-N 365.405 1.345 0 40 FDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1OC 4854775 XVXJJINWCPKZAT-SJCJKPOMSA-N 373.409 1.333 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 4895439 QITRPVVDCMFLQW-UHFFFAOYSA-N 359.382 1.924 0 40 FDAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 4938750 QCUUUZHQTHHCIU-UHFFFAOYSA-N 369.425 1.197 0 40 FDAB CNS(=O)(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 6942104 GVPPDJMFSPEEGF-UHFFFAOYSA-N 353.444 1.230 0 40 FDAB Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 7221620 YTFAHLJFJXKEJU-UHFFFAOYSA-N 360.472 1.907 0 40 FDAB CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 19856008 NFDQCRCVSWMOAU-KBPBESRZSA-N 366.439 1.341 0 40 FDAB biogenic C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NC(=O)NCc1ccccc1 7776301 VBQVRAUQRGTSJU-JTQLQIEISA-N 361.427 1.413 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1 9756175 VIMNNHYZYCRIBO-UHFFFAOYSA-N 365.441 1.817 0 40 FDAB Cc1ccc(SCCNS(=O)(=O)N2CCC3(CC2)OCCO3)cc1 89639265 NVLBUVQSHRWPSC-UHFFFAOYSA-N 372.512 1.760 0 40 FDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1nn(-c2ccccc2)c2c1CCC2 89857549 BYTQNUVPFNZFPN-AWEZNQCLSA-N 373.478 1.802 0 40 FDAB CC(C)(C)c1nn2c(-c3ccc(Br)cc3)nnc2n(N)c1=O 26532307 NBDUPZPVGBZGOY-UHFFFAOYSA-N 363.219 1.727 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@@H](COCc3ccncc3)CCN2C)C1 306143270 XXNBUUNETLRFAG-KRWDZBQOSA-N 367.515 1.734 0 40 FDAB COc1ccc(CN2CCO[C@@]3(CN(C)C[C@H]3c3cccnc3)C2=O)cc1 306135964 PFESAZDELHOKKL-PZJWPPBQSA-N 367.449 1.917 0 40 FDAB CCOCCCNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 409133626 MREJKDWEXPODOU-UHFFFAOYSA-N 374.459 1.013 0 40 FDAB Cc1ccc(N([C@H](C)C(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1 408630207 PJUCLBNKQCKWID-OAHLLOKOSA-N 364.471 1.553 0 40 FDAB Cc1n[nH]c2ncc(NC(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3cnn(C)c3)cc12 176183439 APAYEZLBQDYZGG-XJKSGUPXSA-N 367.413 1.548 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1OCC 408699104 USOIFHBIQKUNOY-UHFFFAOYSA-N 363.439 1.709 0 40 FDAB Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2nc(N)nc(N)n2)c1 1515083278 QXLGRGBKYGGRIU-CQSZACIVSA-N 356.430 1.442 0 40 FDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)C1 517918852 VJZDNDVYKROQOV-KWWJQKEASA-N 355.482 1.895 0 40 FDAB CN(C)c1cc(C[C@H]2CNCCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 72355170 HVXWYFCXAWSWJB-INIZCTEOSA-N 371.460 1.515 0 40 FDAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)ncc1C(N)=O 72345408 IPDMWRPBBXUEJZ-CQSZACIVSA-N 364.402 1.549 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1F 45896201 BNNOEIPSXYUXOB-CYBMUJFWSA-N 351.313 1.430 0 40 FDAB OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccn2)CC1 225423950 FMLIHIBJGFZTHX-UHFFFAOYSA-N 374.510 1.854 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2cc(C)ccc2C)C1 224040671 BWNLLRBUCKGVME-MRXNPFEDSA-N 368.499 1.860 0 40 FDAB Cc1ccccc1N(CCCC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 223136898 NWOCDUANPZHCEF-HNNXBMFYSA-N 354.472 1.836 0 40 FDAB COC(=O)C[C@H](c1c(O)nc2ccccn2c1=O)c1ccnn1C(C)C 96117171 WDKQTLOQORIJFT-LBPRGKRZSA-N 356.382 1.873 0 40 FDAB CN(C)S(=O)(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96216126 NUEXDXVTOCXQQO-OAHLLOKOSA-N 355.460 1.138 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)no1 96249396 PITJUEUJSVIBOT-ROUUACIJSA-N 356.426 1.884 0 40 FDAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccn(C)n2)C3)cs1 248081473 ANPHKAJYKGGBEH-AWEZNQCLSA-N 362.455 1.775 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](c2ccnc(O)n2)C1 257227101 FNQLIIHUUSQUEZ-SNVBAGLBSA-N 355.320 1.804 0 40 FDAB O=C1COc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3F)ccc2N1 42254166 QANPCVGOHHZURM-UHFFFAOYSA-N 368.317 1.414 0 40 FDAB CCOC[C@@H]1CN(C(=O)Nc2ccc(F)cc2N2CCOCC2)CCO1 529121850 RCDHQWCWLJKJAL-HNNXBMFYSA-N 367.421 1.932 0 40 FDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCn2ccccc2=O)C1 257329222 XIZJFVMZCAAMAR-HNNXBMFYSA-N 355.442 1.551 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)no1 257256664 KMKDKCPZQFGDQI-LLVKDONJSA-N 352.416 1.205 0 40 FDAB Cc1cncc(C(=O)N2CC3(C[C@H](Oc4nccc(C)n4)CCO3)C2)c1 253602237 LTMPOIRASIQADG-MRXNPFEDSA-N 354.410 1.941 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257288049 PSOPGEFECLWIQK-QGZVFWFLSA-N 356.430 1.290 0 40 FDAB COc1cc(C)nc(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 603821357 VYPBGIGDLNPYKZ-UHFFFAOYSA-N 368.484 1.802 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1ccc2c(c1)CCO2 90607273 PCVMJYUXLBVHIP-MRXNPFEDSA-N 373.478 1.718 0 40 FDAB O=C(O)CN1CC[C@@H](N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)C1=O 662203319 QGMMUMLDPKCUJK-OAHLLOKOSA-N 369.425 1.337 0 40 FDAB Cc1nc(N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)c2c(C)nn(C)c2n1 72435968 ASXDCMFFDSZAFU-UHFFFAOYSA-N 365.441 1.579 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@@H](O)Cc2ccccc2)cnn1C 1775959628 LLPPFMZHQJLZTN-MPGHIAIKSA-N 357.410 1.306 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C(N)=O 642515169 GNJPJHQOFQYACG-SFHVURJKSA-N 373.478 1.771 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccco3)o2)C1=O 575608737 KIXBOYLYOZBQOB-UHFFFAOYSA-N 353.356 1.446 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)c1 575404000 KSXHBTPCZSONBR-GUDVDZBRSA-N 365.433 1.907 0 40 FDAB Cc1noc([C@H]2CN(C(=O)NCCc3cnc(C4CC4)nc3)C[C@@H](C)O2)n1 585123239 KPZQJCZVONCJPY-IAQYHMDHSA-N 372.429 1.760 0 40 FDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2c[nH]nc2C(C)(C)C)CCO1 585276798 JGCWLUDZNPQMBC-GOSISDBHSA-N 352.479 1.403 0 40 FDAB COc1ccc(CCC(=O)N(CC(N)=O)C2CCCC2)c(OC)c1OC 58397541 LHNBYSKXAFJTHW-UHFFFAOYSA-N 364.442 1.902 0 40 FDAB CC(C)CC(=O)N[C@H](C(=O)N1CCc2c(O)ncnc2C1)c1ccccc1 680223452 OLIYBDMSOMINAR-SFHVURJKSA-N 368.437 1.971 0 40 FDAB Cc1nc2cc(NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3C)ccc2o1 674169461 AIEDYMDQAHJJBZ-GXFFZTMASA-N 366.443 1.928 0 40 FDAB CCc1ncc(C(=O)N2CCOC[C@@](O)(COc3ccccc3C)C2)cn1 1615143374 JBHSOEYWDDARJU-HXUWFJFHSA-N 371.437 1.630 0 40 FDAB Cc1nc(C)c(C(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)o1 19709809 URURIKBNPDOXGM-AWEZNQCLSA-N 358.446 1.844 0 40 FDAB C[C@@H](Cn1cncn1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121873 LOTKBRCXPHAIHS-HNNXBMFYSA-N 356.426 1.885 0 40 FDAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC5CC5)nc4c23)C1 12184178 SFBORCQZFSOGRH-SECBINFHSA-N 357.439 1.509 0 40 FDAB COc1ccc(OC)c(NC(=O)Cc2csc(NS(C)(=O)=O)n2)c1 13728206 ZDLAYIVEFQMVFC-UHFFFAOYSA-N 371.440 1.713 0 40 FDAB Cc1cccc2c3c([nH]c12)CCN(C(=O)C[C@H]1C(=O)NCCN1C(C)C)C3 19236555 GVFQVLGJEYQFFF-SFHVURJKSA-N 368.481 1.960 0 40 FDAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(C[C@H](O)CO)c(=O)c12 11990435 XGMKQJITEVAIKP-LBPRGKRZSA-N 359.407 1.372 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CC[C@@H](COc2ccc(C)nn2)C1 1888857242 QVDDIXIVHNNXRI-CYBMUJFWSA-N 358.398 1.033 0 40 FDAB O=C([C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCOCC1 1889136149 DNVPSFJIWAGKDG-HNNXBMFYSA-N 374.359 1.645 0 40 FDAB Cc1ccc(OC[C@@H]2CCN(c3nc4ccccc4c(=O)n3C)C2)nn1 2087000717 FSVFHSLIJUBGHS-CQSZACIVSA-N 351.410 1.937 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)[C@@]2(C)CC=CCC2)C[C@@]2(CNC(=O)C2)C1 1565553492 AVYXXDKUDFCUBQ-RBUKOAKNSA-N 362.474 1.065 0 40 FDAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccco4)nc32)cc1 4518749 JERZJMKCNJYDPM-UHFFFAOYSA-N 365.349 1.866 0 40 FDAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1ncccc1=O 11856386 NKRIMCJOKLWJCV-UHFFFAOYSA-N 365.455 1.744 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734681 LHLSACYRMFQXKZ-UHFFFAOYSA-N 357.451 1.510 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)c1ccc(CC)nc1)OC2 2055759311 KLFDRBUTMJWDKU-AWEZNQCLSA-N 371.441 1.378 0 40 FDAB O=C(CNC(=O)[C@H]1Cc2ccccc2CN1)Nc1ccc2c(c1)OCCO2 36550318 GFBFEDLXWFBXLW-MRXNPFEDSA-N 367.405 1.227 0 40 FDAB CC(=O)N1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1 40018024 RNTKINVIHJOVSK-UHFFFAOYSA-N 358.442 1.305 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 40087893 QCZQQRGHKMCZCA-CQSZACIVSA-N 353.378 1.855 0 40 FDAB Cn1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1=O 40059841 PFCFLMBXFREMHW-INIZCTEOSA-N 360.435 1.215 0 40 FDAB COC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 40156051 HFOXCDMSSHPQQJ-QGZVFWFLSA-N 372.425 1.126 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)c3ccc(F)c(F)c3)cnc12 31297232 FWEUGBSTKOOLKN-MRXNPFEDSA-N 373.359 1.833 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCO1 50810469 SMCRCHKRJDQGLY-AWEZNQCLSA-N 352.818 1.101 0 40 FDAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3ccncc3)n2)cc1 20721945 LKGLYQARTWAPJS-UHFFFAOYSA-N 367.365 1.001 0 40 FDAB CCc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)s1 21288800 IISYWTSCPKPTES-ZETCQYMHSA-N 359.433 1.011 0 40 FDAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1 1361370 VVEHMFSQNSVVPQ-UHFFFAOYSA-N 372.410 1.622 0 40 FDAB CCOc1cc2c(cc1CNC(=O)CC[C@@H]1NC(=O)NC1=O)O[C@H](C)C2 32748142 QVANGNBCOCAHJI-MFKMUULPSA-N 361.398 1.013 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 102436546 OCVCRTITKUIXJZ-KBPBESRZSA-N 356.378 1.671 0 40 FDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 10010148 INOFMEREPKXAHS-UHFFFAOYSA-N 370.496 1.422 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2C)n(C)c1=O 10233811 YHKPXVFBWOFTQV-UHFFFAOYSA-N 367.409 1.254 0 40 FDAB CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c(nc(SC)[nH]c2=O)N1 8665365 AYSLOAWDYIXEEC-OAHLLOKOSA-N 368.415 1.098 0 40 FDAB O=C(CSc1ncnc2c1cnn2CCO)N1CCCc2ccccc21 646722 OZBHNOIWQZTCQS-UHFFFAOYSA-N 369.450 1.890 0 40 FDAB CCCn1c(=O)n(CC(=O)N[C@H](C)CN2CCOCC2)c2ccccc21 46884322 MRMHFIHDNITYNZ-OAHLLOKOSA-N 360.458 1.050 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22618854 GYRVFMQXDRQEHN-GXTWGEPZSA-N 368.455 1.526 0 40 FDAB Cc1cc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c(C)n1C1CC1 75665455 VQZGEFSDJVPKMZ-UHFFFAOYSA-N 354.410 1.907 0 40 FDAB CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@@H](C(N)=O)CC2=O)CC1 57328038 BBNNLXSMQPALJP-OCCSQVGLSA-N 363.845 1.557 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 24712238 PFXGXZUMPPFQJT-LBPRGKRZSA-N 350.362 1.947 0 40 FDAB Cc1sc(-n2cccc2)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1C 24836043 YCYMBXZMUDETMS-UHFFFAOYSA-N 372.450 1.970 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1C[C@H](C)C[C@@H](C)C1 24986991 GMHFCJYPNIQJDL-ZIAGYGMSSA-N 362.474 1.352 0 40 FDAB O=C(NCCn1ccnc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 43310802 ICLGFHINJFMROY-UHFFFAOYSA-N 354.414 1.573 0 40 FDAB CNC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 25733209 QARWFFQCLSRTIP-UHFFFAOYSA-N 350.378 1.474 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C1 28223317 VEQHBBPHCPTYNL-GFCCVEGCSA-N 364.389 1.993 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N(C)c2ccccc2)CC1 57089627 WIIWPVCBPHWABZ-UHFFFAOYSA-N 370.453 1.432 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(CN2CCOCC2)c1 58201985 GLKFODORJZAUBO-HNNXBMFYSA-N 366.487 1.247 0 40 FDAB CCNC(=O)C1(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CCCCC1 58213287 KCOMUFAIJZQJLF-UHFFFAOYSA-N 373.375 1.822 0 40 FDAB CC(C)(CNC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCO2 58323947 ZDSNTAMJIXFTGR-UHFFFAOYSA-N 361.442 1.642 0 40 FDAB CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C 2207461 KNFZLNLAQIKNEU-UHFFFAOYSA-N 369.468 1.383 0 40 FDAB CCOC(=O)N[C@@](Nc1nnc(C)s1)(C(=O)OCC)C(F)(F)F 2260907 XUCAZKLXOQOJNI-JTQLQIEISA-N 356.326 1.826 0 40 FDAB COc1ccc(CCN(C)S(=O)(=O)c2sc(=O)[nH]c2C)cc1OC 36434850 UEUPJRBFCXNHSF-UHFFFAOYSA-N 372.468 1.625 0 40 FDAB Cc1csc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 3433070 NNXMILNJHJRTJB-UHFFFAOYSA-N 371.509 1.550 0 40 FDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 8718491 SSDLMSVVPZCSMG-VIFPVBQESA-N 357.906 1.989 0 40 FDAB COC(=O)c1ccoc1COC(=O)c1ccccc1CN1C(=O)CNC1=O 14245798 JBWOUAIADUEZLE-UHFFFAOYSA-N 372.333 1.475 0 40 FDAB COc1cccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)c1 6589070 FHKXWBYWIAGZQZ-UHFFFAOYSA-N 366.443 1.398 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)nn12 9052962 DVUBDINJWCCDCO-UHFFFAOYSA-N 374.426 1.372 0 40 FDAB COc1cc(NC(=O)c2cc(=O)n(C)c(=O)n2C)c(OC)cc1Cl 15083669 CCLUUQPVQTUPQG-UHFFFAOYSA-N 353.762 1.007 0 40 FDAB COc1cc(NC(=O)CCc2nnc3ccc(OC)nn23)cc(OC)c1 71284226 HQCHWJKFDYWZJT-UHFFFAOYSA-N 357.370 1.721 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 7296347 LACJCYQZKBPTRQ-BLVKFPJESA-N 373.409 1.586 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 7696955 KSQVDNLGIDSUTO-UHFFFAOYSA-N 355.460 1.705 0 40 FDAB COc1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 8035497 VPAPQLWBVUWNIY-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 8328681 PHPFSCQCUZHGJT-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@@H]2CCOC2=O)CC1 71795960 BRCAMMWXJNORHK-CABCVRRESA-N 352.818 1.487 0 40 FDAB CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Cc1ccc2c(c1)OCCO2 97143739 QMYKADRCJVRIIR-SFHVURJKSA-N 351.399 1.209 0 40 FDAB CCCCN(C(=O)CS(=O)(=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 84744360 YKLYSXCRJKFXJX-CYBMUJFWSA-N 365.517 1.160 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)c[nH]1 95480115 ZLCKARRRIHRBFI-UHFFFAOYSA-N 366.377 1.665 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C4CC4)n[nH]3)n2)cc1 95472838 BILDQMMQKXGHNC-UHFFFAOYSA-N 366.381 1.553 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306140146 ULSDSZQHHAEPOY-WBVHZDCISA-N 370.428 1.573 0 40 FDAB O=C(NCC[C@H]1CN(Cc2nccs2)Cc2ccnn21)c1cnccn1 306142388 WYHHISHIYMYVAC-ZDUSSCGKSA-N 369.454 1.507 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2)ncn3C)cc1 120337690 MBOFEWKZBIOSNN-UHFFFAOYSA-N 372.450 1.590 0 40 FDAB COc1cc(NC(=O)[C@H]2CCN(C)C2)c(C(=O)N2CCCC2)cc1OC 524300411 PCXVSOFGDSTRAR-ZDUSSCGKSA-N 361.442 1.830 0 40 FDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCCCn4ccnc4)C3)nn12 31811128 PRWNBJFQHZBONH-OAHLLOKOSA-N 368.445 1.052 0 40 FDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(C)=O)CC1 32980218 PLXZYFJVGFVQRG-INIZCTEOSA-N 363.483 1.229 0 40 FDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc2c(c1)OCCO2 1565523635 VLGSJFNAXLZYEW-KRWDZBQOSA-N 365.407 1.553 0 40 FDAB O=C(c1cccs1)N1CC(C(=O)N2CCN(c3ccccn3)CC2)C1 70810153 OUPYZVLDIVNLQP-UHFFFAOYSA-N 356.451 1.564 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 42646029 DLLDZCXUTXZFHS-UHFFFAOYSA-N 360.241 1.770 0 40 FDAB COc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc(C(=O)O)c1OC 327349138 IEPMAPWSHKSLAW-UHFFFAOYSA-N 369.399 1.980 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@@H]2COc3ccccc3O2)C1 225807743 WNYKTBLVRIOVCD-WFASDCNBSA-N 357.366 1.305 0 40 FDAB Cc1nnc2c(N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)nccn12 572450575 LFQYBGJHUYOJOS-LLVKDONJSA-N 360.443 1.856 0 40 FDAB COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)c1 514289063 QHVHUNBTXPWBIT-SOUVJXGZSA-N 371.384 1.286 0 40 FDAB biogenic,in-vitro Cc1cccc(CN2CC[C@]3(CCCN(S(=O)(=O)C4CC4)C3)C2=O)n1 96048830 GRPCUSDQCGKVRM-SFHVURJKSA-N 363.483 1.697 0 40 FDAB Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 96039538 JJFCUUMONJERDM-AEFFLSMTSA-N 351.447 1.573 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)n1 96062516 MWSSBMSXWJLZNM-LJQANCHMSA-N 353.426 1.549 0 40 FDAB C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)c1nncn1C 333234411 HIKRDNVTVZCWHG-UGUYLWEFSA-N 369.473 1.663 0 40 FDAB CN1CCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 330649313 WMKAIAHQQMFPQJ-CYBMUJFWSA-N 364.389 1.819 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccccc1)C2 96230563 HOJKNIDHRBVSLI-FQEVSTJZSA-N 367.453 1.260 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1cccs1)C2 96061965 BQUYLLFLCFGPJL-UHFFFAOYSA-N 369.450 1.869 0 40 FDAB Cn1nccc1C(=O)NCC[C@H]1CCOC12CN(Cc1nccs1)C2 248047508 QFERJQWQIGXPEC-ZDUSSCGKSA-N 361.471 1.288 0 40 FDAB CC(C)[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCS1(=O)=O 262231769 YPNLMTOXGBCGPZ-AWEZNQCLSA-N 354.428 1.061 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCN(C)c3ccccc3C2)cnn1C 649321036 JBZHVGABYGSOLJ-MSOLQXFVSA-N 353.470 1.510 0 40 FDAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cc2c(s1)CCNC2 662524306 KTAKDHBYSKVGMG-UHFFFAOYSA-N 353.451 1.964 0 40 FDAB COCc1nc([C@H]2CN(C(=O)Cc3ccncc3C)C[C@@H]2C2CC2)n[nH]1 1775961512 FPKZJDAIAAKYNL-CVEARBPZSA-N 355.442 1.849 0 40 FDAB COC(=O)[C@H]1CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2C1 601043490 BPLUAKAWSSOOPL-INIZCTEOSA-N 369.469 1.378 0 40 FDAB C[C@]1(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCCc2ccccc21 608123171 CRWLIGNDRJROOF-PJRJUOCSSA-N 368.433 1.517 0 40 FDAB O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)NC1CCCC1 46333299 JJYIRAOMFNEORH-OAHLLOKOSA-N 360.410 1.599 0 40 FDAB COc1ccc([C@H]2CCCN2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 58016236 JQSHQDKVPUELAK-DOTOQJQBSA-N 366.483 1.478 0 40 FDAB Cc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n2ncnc2n1 302905325 SIEIYYATZVDBBH-UHFFFAOYSA-N 365.445 1.150 0 40 FDAB O=C(Cc1cccnc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615162288 VIIXOTJNROBEMC-ZWKOTPCHSA-N 350.459 1.545 0 40 FDAB CCn1ncc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615125756 GYMKNXOJTXKOCL-HXUWFJFHSA-N 368.437 1.860 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cnc(C)cn3)CC1)O2 12225659 IPDJEBWFCFDQBB-UHFFFAOYSA-N 366.421 1.891 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc(C(=O)O)c1 12408050 SBHVSPDDNPTFEZ-LBPRGKRZSA-N 363.395 1.044 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@@H](C)C2)C(C)C)cc1 12997775 MKSZNKSILWANDG-GOEBONIOSA-N 354.472 1.545 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)C1 13084594 PXZFTQIYTKXVSW-QZTJIDSGSA-N 364.534 1.121 0 40 FDAB O=C1CN(CC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)CCN1 19660364 DTKABWJGZYQJLG-UHFFFAOYSA-N 355.442 1.912 0 40 FDAB CN1CCc2nnc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2CC1 19706373 KFRYBOLFXMLRCY-INIZCTEOSA-N 357.433 1.811 0 40 FDAB COc1ccc([C@@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1OC 19819879 HUTLADRINVEAGQ-JTQLQIEISA-N 366.377 1.830 0 40 FDAB CN1CCC[C@@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)C1 575615382 DPRYXRQYWGRYKN-CYBMUJFWSA-N 365.861 1.519 0 40 FDAB COc1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1F 5039131 BFTAJDDZYUDXGH-UHFFFAOYSA-N 369.370 1.847 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@H]2C1 1888853453 CPZZETVPPRYZNI-RYUDHWBXSA-N 356.382 1.105 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)C5CCOCC5)C[C@H]4C3)nn12 1888875708 ZUJIAVXOKIVGOE-HUUCEWRRSA-N 370.457 1.008 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5cc(C)[nH]c45)C[C@H]3C2)n1 1888879275 PFJXKERLXZMBHU-STQMWFEESA-N 351.414 1.638 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ccccc1 24013624 GMQABELURQRWID-UHFFFAOYSA-N 353.426 1.230 0 40 FDAB COc1cnc(O[C@H]2CCN(c3ccc4nnc(C5CC5)n4n3)C2)nc1 2087045427 PDVCIPCCHUJAMH-LBPRGKRZSA-N 353.386 1.458 0 40 FDAB C[C@@]1(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)CC=CCC1 1565556774 UZGRUABVGLQEMK-UXHICEINSA-N 372.469 1.657 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)nc2c(C)cccn2c1=O 4009310 BAEURGYCCCOMSX-NSHDSACASA-N 362.773 1.457 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4)nc32)c1 4940442 AFUGTYJPPDKOQS-UHFFFAOYSA-N 361.361 1.883 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C2CCCCC2)CC1 2055781435 DRIVRZCWQUHWAL-UHFFFAOYSA-N 362.474 1.544 0 40 FDAB COc1cccc(-n2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)c1 20488998 HREWUWLXSMXMKW-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)NCc1ccco1 22723729 KNUUVUMYSYXWHF-UHFFFAOYSA-N 359.769 1.562 0 40 FDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 23137446 ZMDUSZHFTUUFAI-UHFFFAOYSA-N 361.345 1.631 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(-c3ccco3)c2)CC1 225655205 KOWQEPHRWVNMCC-UHFFFAOYSA-N 363.439 1.629 0 40 FDAB Cn1cc([C@H]2CN(C(=O)OCCN3CCOCC3)Cc3ccccc32)cn1 575621131 YBPXFAIHVPFCPX-LJQANCHMSA-N 370.453 1.836 0 40 FDAB Cc1noc([C@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc3c(c2)CCO3)n1 585146139 UIWJXYAFWYYNNY-DGCLKSJQSA-N 353.375 1.787 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](Oc3cnccn3)C2)ccc1F 225797585 AYMAVGJFLWHNPN-JTQLQIEISA-N 367.358 1.156 0 40 FDAB O=C(NCCNc1cnccn1)c1ccc(NC(=O)c2ccccn2)cc1 52578876 AODJQKCVDVBLTH-UHFFFAOYSA-N 362.393 1.966 0 40 FDAB O=C(c1ccccc1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 4231126 MYPRDXSJDRJIQO-UHFFFAOYSA-N 366.373 1.892 0 40 FDAB c1nnn(C23C[C@H]4C[C@@H](CC(c5nc6c7cn[nH]c7ncn6n5)(C4)C2)C3)n1 102611495 FMXHHMHKRNBJIX-AFDCSIBUSA-N 362.401 1.234 0 40 FDAB Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(=O)c(C(N)=O)c1C 32911934 PGFIBFPPFXSLCA-CQSZACIVSA-N 359.426 1.522 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCN1C(=O)c3ccccc3C1=O)CS2 6944128 YLLZFRBBJIOYSA-YVEFUNNKSA-N 360.391 1.237 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2c(F)cccc2F)CC1 7814389 XMPRFSGXFRQKIG-UHFFFAOYSA-N 356.325 1.422 0 40 FDAB O=C(CCNc1ncnc2[nH]cnc12)NCc1noc(-c2ccccc2)n1 12389079 YQSSWVPBQGVRAG-UHFFFAOYSA-N 364.369 1.521 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104088061 DNSPCGVCDOLRML-ASHKBJFXSA-N 368.437 1.974 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12407600 MUMUBFHUPSXTNP-CYBMUJFWSA-N 367.409 1.825 0 40 FDAB COC(=O)c1ccoc1COC(=O)c1ccccc1NS(C)(=O)=O 23442314 JHEYJCQZHCUWNQ-UHFFFAOYSA-N 353.352 1.795 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1 24051533 RZHDRGRAKBFTRT-UHFFFAOYSA-N 357.428 1.750 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4sccc4C3)ccc21 24052417 WOVNANQQFUJAPC-UHFFFAOYSA-N 350.421 1.940 0 40 FDAB CC(C)C(=O)N1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 57354586 UGVKKOSGZIJOHA-CQSZACIVSA-N 359.426 1.429 0 40 FDAB Cc1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)s1 61719612 QESFDDJSOCIISH-LBPRGKRZSA-N 374.470 1.705 0 40 FDAB CCCCOCCNC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 54915999 SOJDXIMZLYYJDO-INIZCTEOSA-N 353.444 1.448 0 40 FDAB Cc1c(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 12641562 HKPCVWXXAVYXIP-IJEWVQPXSA-N 372.469 1.921 0 40 FDAB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2cccc(F)c2)n2nnnc2N1 10232471 ONNUIBHJPRAPDT-AWEZNQCLSA-N 369.312 1.730 0 40 FDAB C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1 24682595 ZLCOAEGFTKDWBY-NSHDSACASA-N 352.378 1.704 0 40 FDAB COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1cccs1 48237160 NFTQIVPDXQHIRL-PWSUYJOCSA-N 350.396 1.880 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1 58191349 VLRBSVIGIBKWGU-FQEVSTJZSA-N 367.405 1.940 0 40 FDAB CC1(C)CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccccc21 58209466 YYXFLUDAZHZWRP-MRXNPFEDSA-N 350.484 1.646 0 40 FDAB CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCNC(=O)C1 44959909 USOSTHGZWLNOBA-CQSZACIVSA-N 355.232 1.811 0 40 FDAB CCn1c(=O)n(CC(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 10763656 JUYJABWLFBGEQB-UHFFFAOYSA-N 354.410 1.444 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(N)c2)NC(=O)NC1 10875896 SNOKTRDKFWKWSA-UHFFFAOYSA-N 353.762 1.209 0 40 FDAB Cc1cc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1F 12810757 GGBIPDYCCAUQKG-UHFFFAOYSA-N 358.416 1.260 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 59292247 BJHVCORMQHIJKY-UHFFFAOYSA-N 369.462 1.924 0 40 FDAB CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OCC)cc1C 11566105 GIPGMFMWTFPVBI-UHFFFAOYSA-N 370.471 1.645 0 40 FDAB C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn12 48678246 CUZCMYCJHLZVRU-CQSZACIVSA-N 374.404 1.830 0 40 FDAB CNS(=O)(=O)c1cc(/C=C/C(=O)NCc2cccs2)ccc1OC 13095611 GOKVTWAJTVUNFP-SOFGYWHQSA-N 366.464 1.994 0 40 FDAB CC(C)CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 13003761 DLKDMGVGIBBAGU-UHFFFAOYSA-N 361.442 1.587 0 40 FDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CC1=O 8745438 RXDLPRHPWGGPTQ-QAPCUYQASA-N 369.465 1.677 0 40 FDAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccc2c(c1)CCC2 8718895 PFGVIRVACNEKJU-QGZVFWFLSA-N 373.384 1.586 0 40 FDAB CCOC(=O)CNC(=O)c1cc2cc(Br)ccc2oc1=O 4106890 KCSRVCTUSYOSEE-UHFFFAOYSA-N 354.156 1.848 0 40 FDAB CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccc(C)cc2)n(C)c1=O 8725396 KIEOLRWPZGUJPT-UHFFFAOYSA-N 366.425 1.621 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)n1 301343786 RVYWHYNNCZVNJB-UHFFFAOYSA-N 354.418 1.293 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1C 6202964 SYZPVAIUBOOOAG-ZDUSSCGKSA-N 352.456 1.683 0 40 FDAB Cc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]45)[C@H]23)cc1 5246449 WELQXBYVTWLUFU-YCRNYQIISA-N 354.362 1.050 0 40 FDAB CCCCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19078724 NJASPSPHSRQEHO-UHFFFAOYSA-N 368.484 1.714 0 40 FDAB COc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1 4836902 NCLNBCDHPDYSBL-UHFFFAOYSA-N 357.418 1.379 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(c2ccccc2)=N1 9050031 IDHHWPSXLOAIJM-UHFFFAOYSA-N 354.410 1.878 0 40 FDAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(N)=O)c2ccccc23)cc1 6997254 IYKFRHGIMHKOMY-LJQANCHMSA-N 367.430 1.760 0 40 FDAB Cc1ccc(CNC(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 9117860 FLIDICXXJQCEOP-AWEZNQCLSA-N 373.478 1.710 0 40 FDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)c1csc(S(N)(=O)=O)c1 68503970 FBOXUYUYBMJHJE-LLVKDONJSA-N 365.480 1.577 0 40 FDAB Cc1nnnn1-c1cc(NC(=O)c2cccc(NC(N)=O)c2)ccc1F 68827842 UACXCOXNEGKZJG-UHFFFAOYSA-N 355.333 1.853 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C[C@H](O)c2ccccc2F)CC1 96743037 PAJGHWMSQLQETK-APWZRJJASA-N 363.477 1.878 0 40 FDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NN2CCCNC2=O)c1 97117731 LGZCHKONAAMUCP-UHFFFAOYSA-N 361.402 1.525 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N(CCCO)Cc1ccncc1 72311302 GDJCSTOWKJNNQL-UHFFFAOYSA-N 367.413 1.782 0 40 FDAB CC(C)(C)c1nc2ncccn2c1-c1cccc(C(=O)NC(CO)CO)c1 534585917 JZRNIYKVGCRJNZ-UHFFFAOYSA-N 368.437 1.777 0 40 FDAB Cc1ccc(C)c(OCn2ccc(C(=O)NCCCN3CCOCC3)n2)c1 32501772 UILQVQJQYGSASP-UHFFFAOYSA-N 372.469 1.989 0 40 FDAB COCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217665135 OGLPRKMVTYEENC-LLVKDONJSA-N 360.432 1.146 0 40 FDAB Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 71279449 VEPVARCWQVAIKZ-RYUDHWBXSA-N 363.443 1.717 0 40 FDAB CC(C)OCCCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217645278 FEUUICHLLRIULX-UHFFFAOYSA-N 374.459 1.273 0 40 FDAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CCOCC1 225741196 VPZJJLGOJWOMGQ-UHFFFAOYSA-N 351.200 1.623 0 40 FDAB Cc1ncc2n1C[C@@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 570934823 UMKJNRFBXOMQKD-XJKSGUPXSA-N 360.845 1.620 0 40 FDAB O=C(NCCN1Cc2ccccc2OCC1=O)c1cnc2ccccc2n1 225770036 VLCBERBBPXGGGI-UHFFFAOYSA-N 362.389 1.781 0 40 FDAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(CCO)CC1 41096126 ILULUIMGPNVOJX-UHFFFAOYSA-N 356.488 1.507 0 40 FDAB O=c1ccc(S(=O)(=O)N2CCOCC2)cn1Cc1cc(F)cc(F)c1 49410392 UAZBUBIEPZOHPU-UHFFFAOYSA-N 370.377 1.196 0 40 FDAB COc1ccc(Br)cc1CNC(=O)N[C@H]1C(=O)NCC[C@H]1C 193818857 QCJKQSAURDBGTK-NOZJJQNGSA-N 370.247 1.782 0 40 FDAB O=C(c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2)N1CCCCC1 41070509 DWYJMJHOTOTUMV-UHFFFAOYSA-N 360.439 1.364 0 40 FDAB CC[C@H](C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 583621753 JKHMBMCOPIMIJN-KBPBESRZSA-N 355.442 1.799 0 40 FDAB O=C(c1ccc(F)cc1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249746 ZJDUAURFRGQMQK-NVXWUHKLSA-N 356.401 1.983 0 40 FDAB CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2 91907156 IBYINBSBGZBUBM-UKRRQHHQSA-N 362.455 1.592 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181366 FTDNUKCOFGJICK-FUHWJXTLSA-N 373.453 1.815 0 40 FDAB CCc1ccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)o1 96255674 NDSAPAMCGLAVIJ-UHFFFAOYSA-N 355.486 1.985 0 40 FDAB CC(C)CCN1C[C@H]2CCN(C(=O)c3ccno3)CC[C@H]2S1(=O)=O 96263758 FFAJXERZNGEEHT-UKRRQHHQSA-N 355.460 1.587 0 40 FDAB COc1cccc(CN2C[C@@H]3CN(Cc4cnn(C)c4)CCO[C@@H]3C2)c1 96108112 GWVBPILLPYWQEA-AZUAARDMSA-N 356.470 1.762 0 40 FDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccc(F)cc1)CC2 96215315 CYXWJOIIBCWUGA-MRXNPFEDSA-N 356.463 1.746 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)n(C)n1 248059914 UFQVOVOJSGGPDI-IBGZPJMESA-N 371.485 1.553 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)C1 248163720 YWMLTYUQXPFEHA-NCOADZHNSA-N 360.502 1.739 0 40 FDAB Cc1cc(CN2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)oc1C 248053368 XZAAJYXWBVBLTL-BEFAXECRSA-N 361.442 1.912 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)[C@@H](C(N)=O)C1 257211191 BXVKYMZUFNIQDD-GOSISDBHSA-N 367.405 1.637 0 40 FDAB Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)CC2CCCC2)CC[C@@H]1O 257285969 PJOVWLHDDMYLFA-KBPBESRZSA-N 358.446 1.513 0 40 FDAB COc1cccc(Cc2cncc(C(=O)N3CCO[C@](C)(C(N)=O)C3)c2)c1 257300576 RUVYZYITJOOEFV-FQEVSTJZSA-N 369.421 1.397 0 40 FDAB Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)ccn1 257232540 GLHPAVZVQFNPIX-CYBMUJFWSA-N 353.469 1.748 0 40 FDAB C[C@H](Oc1ccc(NC(=O)C2(S(C)(=O)=O)CCCC2)cc1F)C(=O)O 630259173 XJBZICMBXUILNL-JTQLQIEISA-N 373.402 1.974 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)N[C@H]1CCc2c(F)cccc21 1615554640 YGKYINOEZDWUBN-HNNXBMFYSA-N 359.405 1.819 0 40 FDAB C[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)F)nc1 658016489 ZPFVTGHDWLMOFR-DGCLKSJQSA-N 362.446 1.941 0 40 FDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccc(C)cc1 575422221 TXDPSJXKQTYUDE-QWHCGFSZSA-N 371.484 1.193 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)c1 585111928 JIXJCOSZTMTQQA-QGZVFWFLSA-N 360.483 1.830 0 40 FDAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCO)cc2)c1 585262515 IENOTJFWXLCKCK-KRWDZBQOSA-N 361.438 1.938 0 40 FDAB CC[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O 49180797 VDRDRMCAECTSGB-DIFFPNOSSA-N 353.371 1.055 0 40 FDAB biogenic,in-vitro COc1cccnc1CC(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 672823206 LLSUCEPUBQNDFA-IRXDYDNUSA-N 360.502 1.650 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145874 ABEGYLIAKCTMKJ-HNNXBMFYSA-N 369.469 1.687 0 40 FDAB CCOc1ncccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 16694754 BSXWQDNAUQACCZ-UHFFFAOYSA-N 366.395 1.364 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19238443 QRQQXSGPASKJGZ-INIZCTEOSA-N 368.485 1.766 0 40 FDAB CCCC12CN3CC(CCC)(CN(C1)C3c1c(C)[nH]c(=O)[nH]c1=O)C2=O 19326286 HWYVPQNZNSQLQD-UHFFFAOYSA-N 360.458 1.157 0 40 FDAB CCc1c(C)nc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH]c1=O 19521593 PVAZQIGVUCNNHZ-MRXNPFEDSA-N 368.437 1.795 0 40 FDAB O=S(=O)(CCC(F)(F)F)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888864375 ZDTIBEKIPSPORD-GHMZBOCLSA-N 350.366 1.127 0 40 FDAB O=C(Nc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921820 TVKHBYUXJZWWSL-BETUJISGSA-N 367.388 1.864 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2cc(Br)c[nH]2)CC1 14185562 HZLTVNNBUCOMJK-UHFFFAOYSA-N 373.203 1.346 0 40 FDAB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 19798258 XFOXJSLOKBYOAR-FYAMFWTDSA-N 361.401 1.627 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614929084 CTLLSOYRDRSDLJ-FQEVSTJZSA-N 366.421 1.289 0 40 FDAB COCCNC(=O)[C@H]1OC2(CCN(C(=O)CCF)CC2)c2ccccc21 1614933486 GNRSYUGMXNVSGL-KRWDZBQOSA-N 364.417 1.698 0 40 FDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CN(C)C(C)C)CC2 1142586728 JIDCYEJKTJFSSS-MRXNPFEDSA-N 353.507 1.450 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5nccc(C)n5)C[C@H]4C3)ncnc21 2087026222 SSZRTTDXQQOBOS-ZIAGYGMSSA-N 350.430 1.517 0 40 FDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)NCc1ccon1 1565552658 RMGBRKCCVVKXFI-NXHRZFHOSA-N 356.426 1.613 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CC2(CCN(S(=O)(=O)C3CC3)C2)C1 1565554382 YSTZOIRFGHVMPX-UHFFFAOYSA-N 351.428 1.192 0 40 FDAB COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)NC(C)(C)C 4727398 SOJQYLKYPWFEBD-UHFFFAOYSA-N 374.459 1.679 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 10332682 TYAVXKWSABXQSJ-HNNXBMFYSA-N 373.384 1.912 0 40 FDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729969 KJLHFOJTOFWAII-HZPDHXFCSA-N 373.428 1.597 0 40 FDAB O=C(CC1CCOCC1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731766 TVLBPZLNDQGZOA-LSDHHAIUSA-N 363.458 1.031 0 40 FDAB O=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)NCc1ccccc1 33312399 PBFSSZYGNAJOAL-UHFFFAOYSA-N 356.407 1.271 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CCSC)cc1 75157647 XGSUHHOCCBXHRC-MRXNPFEDSA-N 354.428 1.032 0 40 FDAB CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 16021781 XEPMBUIGQIHSGV-OTWHNJEPSA-N 373.497 1.527 0 40 FDAB Nc1nc(N)nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n1 8036325 LNCFYZRSBPHDGL-LLVKDONJSA-N 366.447 1.541 0 40 FDAB Cc1cc(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)on1 32814293 HHATZKBMIXMTHM-UHFFFAOYSA-N 365.411 1.445 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(c2ccccn2)CC1 102437022 YSSVAQKYOPEXTA-HOTGVXAUSA-N 370.453 1.296 0 40 FDAB CCCCC[C@@H]1[C@@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897392 DLUUCPGURIULFB-CHWSQXEVSA-N 371.430 1.357 0 40 FDAB CCN1CCN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)CC1 6325852 DUBYSAJDDIASHC-UHFFFAOYSA-N 353.488 1.234 0 40 FDAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1ccc2c(c1)OCO2 7250187 UHCLPRKXPVADGQ-UHFFFAOYSA-N 352.306 1.431 0 40 FDAB CCCn1nnnc1COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 103365335 WBFYXMPSCUXSKC-JDPPGYRCSA-N 361.446 1.601 0 40 FDAB Cc1cc(O)n2nc(CC(=O)N3CCN(c4ccccc4F)CC3)nc2n1 102726048 PONIRNKRFWXPQX-UHFFFAOYSA-N 370.388 1.169 0 40 FDAB CN1C(=O)N(CN2CCN(c3ccncc3)CC2)C(=O)C12CCCCC2 23641361 FCGUNGIYUBUCOI-UHFFFAOYSA-N 357.458 1.758 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12407601 MUMUBFHUPSXTNP-ZDUSSCGKSA-N 367.409 1.825 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)CCN3C(=O)COc4ccccc43)C2)n1 54663241 RWFDUMHHUPAYLM-CQSZACIVSA-N 370.409 1.900 0 40 FDAB COc1ccc2c(c1)c([C@@H](NCCCN(C)C)C(=O)O)cn2CC(=O)O 106472701 YEHNKCAJEDQCSB-QGZVFWFLSA-N 363.414 1.402 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC4(CC3)OCCO4)ccc12 24995010 UTLGMDSDVRAFOS-UHFFFAOYSA-N 359.378 1.846 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 57991582 PNIASKHKOLENRH-UHFFFAOYSA-N 373.434 1.756 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC)(C(=O)OC)N[C@H]2c1ccccc1OC 100420660 NMLBEPAFAIBCIS-YGTYGHESSA-N 360.410 1.282 0 40 FDAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NCC(F)(F)F 3393189 UIZVTNFBPHSYFF-JTQLQIEISA-N 362.329 1.711 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)CNC(=O)c1ccoc1 58393905 GMTHYHLWSXMRKK-AWEZNQCLSA-N 365.430 1.915 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@@H](C)CC[C@H]2CCCO2)cc1OC 58363454 CNDWSJTWKINZCN-DZGCQCFKSA-N 364.442 1.898 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 10662577 RBMHGBPKROVZRA-UHFFFAOYSA-N 365.411 1.144 0 40 FDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1 3306496 MAYMHQKYABGGML-RMKNXTFCSA-N 364.467 1.733 0 40 FDAB Cc1c(C(=O)O[C@@H]2CCOC2=O)sc2nc3n(c(=O)c12)CCCCC3 11064316 RKUIFPCICDFLAI-SNVBAGLBSA-N 362.407 1.965 0 40 FDAB COC(=O)Cn1cc(NC(=O)Cc2ccc(Br)cc2)cn1 38030177 MEFKLBDNKXDAKC-UHFFFAOYSA-N 352.188 2.000 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCCOc1ccccc1Cl 3502161 MFXMDLNEEBODEC-UHFFFAOYSA-N 374.780 1.965 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ncccn3)CC1)C2=O 13072176 ASQOOLBCTVQYOR-RDTXWAMCSA-N 358.446 1.057 0 40 FDAB O=C(O)c1ccc(CCNS(=O)(=O)CCn2nnc3ccccc32)cc1 13269250 SRPFNKRQXCKQOI-UHFFFAOYSA-N 374.422 1.292 0 40 FDAB COC(=O)c1cc(-c2cccnc2)nc2c1c(=O)n(C)c(=O)n2CC(C)C 8345970 GJDJCMPCDODURP-UHFFFAOYSA-N 368.393 1.600 0 40 FDAB COc1ccc(CN2C(=O)[C@](NC(=O)C3CC3)(C(F)(F)F)N=C2O)cc1 13656358 WXRSHRPSEMGQQH-OAHLLOKOSA-N 371.315 1.736 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC(C)(C)O1 65278053 KKSVPXHVAIILKA-SNVBAGLBSA-N 356.419 1.898 0 40 FDAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H]1c3cc(Br)ccc3OC[C@@H]1CO2 6623941 GMUWEIQHPNRWBM-LDWIPMOCSA-N 351.156 1.359 0 40 FDAB biogenic O=C(CCCn1c(=O)oc2ccccc21)Nn1cnc2ccccc2c1=O 17848251 FLMDZUOMWFTZSG-UHFFFAOYSA-N 364.361 1.855 0 40 FDAB CCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 14918507 QTHGCOPERQPNOI-MRXNPFEDSA-N 367.515 1.524 0 40 FDAB C[C@H](SCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1 80027121 IDWFSPGWADYFSN-AWEZNQCLSA-N 356.513 1.155 0 40 FDAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cn1 15617006 SXGBWTXGSJSZLE-UHFFFAOYSA-N 365.411 1.601 0 40 FDAB CC(C)C[C@H](C(=O)O[C@H]1C[C@H](C)OC1=O)N1C(=O)c2ccccc2C1=O 7392075 RVQACONCRXICFQ-GLQYFDAESA-N 359.378 1.945 0 40 FDAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCC(O)CC1)C(=O)O 71279758 BMHJXYPVQWPKAB-SNVBAGLBSA-N 370.427 1.021 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCOCc1ccccc1 8943596 XESOUWCQGWQFEK-UHFFFAOYSA-N 370.405 1.868 0 40 FDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccc(F)cc1 72284054 BYHZZAXZVCQPPL-CABCVRRESA-N 352.406 1.855 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1OC(F)F 9498285 ZEILEQIICISBDW-UHFFFAOYSA-N 367.337 1.731 0 40 FDAB O=C(CN1CCC[C@@H]1CN1CCCC1)NC[C@H]1COc2ccccc2O1 84583108 RLRAWYRMVAHOSY-SJORKVTESA-N 359.470 1.503 0 40 FDAB CCc1nc(CN2CCN(C(=O)Cn3ncc4ccccc43)CC2)no1 78622504 QEUXQFYIAUGYCM-UHFFFAOYSA-N 354.414 1.326 0 40 FDAB NC(=O)c1cccc(NC(=O)C(=O)NCc2nc3ccccc3s2)n1 95461275 AXIBFECUCDUVJY-UHFFFAOYSA-N 355.379 1.045 0 40 FDAB Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cc(F)ccc2Cl)no1 95468205 MMXKWQAYPWJYNR-NSHDSACASA-N 361.782 1.933 0 40 FDAB O=C(c1nnc(S)[nH]c1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 95983134 HBRMSFPJHWIHMU-UHFFFAOYSA-N 365.846 1.065 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCN([C@H]2CCSC2)CC1 75106344 GYIBLMCWAZBWPB-WBVHZDCISA-N 363.527 1.823 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)N1Cc3ccccc3[C@@H](n3cccn3)C1)CC2 89740856 OJWUMPDZUJNPQV-AEFFLSMTSA-N 362.437 1.977 0 40 FDAB CCN1CCC[C@]2(CN(S(=O)(=O)c3cccnc3)CC(F)(F)C2)C1=O 306135935 PEXSPCKTOGNBNF-HNNXBMFYSA-N 373.425 1.740 0 40 FDAB CN1C(=O)CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c2ccccc21 551538845 SAROUXHQSXDJLA-ZDUSSCGKSA-N 362.451 1.601 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 306141801 WGUHZQTYYGAIAC-QGZVFWFLSA-N 371.466 1.537 0 40 FDAB COc1ccc(N[C@H](C)C(=O)NC(=O)NC(C)C)cc1NS(C)(=O)=O 32771581 MNGABZNQMGIKPU-SNVBAGLBSA-N 372.447 1.101 0 40 FDAB CCCN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccccc1 78400951 QNDHNBQBBYBOCE-UHFFFAOYSA-N 353.400 1.688 0 40 FDAB Cc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)ncc1C(N)=O 72345410 QUOVBNGVZPWSRZ-OAHLLOKOSA-N 358.373 1.766 0 40 FDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217629161 PQZIMCBAGAUQLY-NSHDSACASA-N 368.411 1.903 0 40 FDAB C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 62021707 RLXXINHWENISOE-KRWDZBQOSA-N 352.456 1.362 0 40 FDAB Cc1ccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1C 40009938 DFBIZFBUPDENFO-UHFFFAOYSA-N 373.497 1.839 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1OC 224239279 KCWPEHSXTLYEHH-UHFFFAOYSA-N 352.416 1.038 0 40 FDAB CCN(Cc1nc(C(=O)O)cc(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49470218 JWXWIHJEZNLIKF-UHFFFAOYSA-N 371.802 1.332 0 40 FDAB CCOCCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 224879251 JWVLMLGZRHMFRW-UHFFFAOYSA-N 372.487 1.784 0 40 FDAB CN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1 223978518 HXXAXFUZLWZOEX-UHFFFAOYSA-N 368.480 1.950 0 40 FDAB CCN(C)c1ncnc2c1CCN(S(=O)(=O)c1cccs1)CC2 96255805 ZAJINRYAYCPDCJ-UHFFFAOYSA-N 352.485 1.784 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccccn3)C2)CN1c1ccccc1 96240069 SFDLQAXIRNCDOA-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB Cc1cnc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)cn1 257228977 FWBKMEDLZCEHGU-INIZCTEOSA-N 355.442 1.720 0 40 FDAB COc1ccc(CNC(=O)NCc2cc(-c3cnccn3)nn2C)cc1 253470938 AGICBCSXJJXDJD-UHFFFAOYSA-N 352.398 1.885 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cnccn1)CC[C@H]2O 257340401 ZFXCMQAQYVKMFP-AITUJVMLSA-N 352.438 1.397 0 40 FDAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257322602 WGQLBWRCIKBVOO-LBPRGKRZSA-N 350.448 1.161 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCCc1cc(C(F)(F)F)ccn1 644493352 RPUSOEUPJYSPFX-ZDUSSCGKSA-N 359.348 1.133 0 40 FDAB NS(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3cccc(F)c3)CCC2)C1 616466935 YSIHVBZKGKSAHM-GFCCVEGCSA-N 355.435 1.237 0 40 FDAB O=C(Cn1ccc(C2CC2)n1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585276570 PXNLEIKMMQKVCR-LJQANCHMSA-N 359.401 1.942 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2cccc(C)c2Cl)C1 685940566 DAZQFTWKSXPMQA-STQMWFEESA-N 352.818 1.629 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccccc1-n1ccnc1 55696625 DCEFCFFYEBWWBN-UHFFFAOYSA-N 359.389 1.899 0 40 FDAB Cc1cc(C)n(-c2ccc(NC(=O)CSc3nnnn3C3CC3)cn2)n1 36843254 SRNAPGOTFYOMAE-UHFFFAOYSA-N 370.442 1.936 0 40 FDAB CC(C)C(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645865 MWEBKKDFKUQAQQ-CVEARBPZSA-N 370.446 1.223 0 40 FDAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3ccccc3)CC1)CC(=O)N2C 1772596180 PBSMXDGDWVXMRR-UHFFFAOYSA-N 374.466 1.738 0 40 FDAB CCSc1nnc(CCNS(=O)(=O)c2ccc(C(C)=O)cc2)n1C 5001767 LUGAFVZMPKWBTR-UHFFFAOYSA-N 368.484 1.651 0 40 FDAB CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccccc1O 5386054 WMHXMNUIYVIEAL-SECBINFHSA-N 361.379 1.396 0 40 FDAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 5450074 GGGNOOTUNFIADO-GOSISDBHSA-N 361.398 1.487 0 40 FDAB CCS(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc2c(c1)OCO2 14398294 FMJNFLWZRNELLI-UHFFFAOYSA-N 356.444 1.734 0 40 FDAB Cc1nnc(SCC(=O)N2CCC(O)(c3cccnc3F)CC2)s1 19288336 XDDUKURDNHEQBP-UHFFFAOYSA-N 368.459 1.983 0 40 FDAB O=c1nc(N2CCOCC2)[nH]c2c1CCN(Cc1ccc(F)cc1)CC2 19334464 VWLAXUHLQGRKQX-UHFFFAOYSA-N 358.417 1.346 0 40 FDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)C3CCCC3)CC2)cc1 23232784 VRDNRCLMGHKRCK-UHFFFAOYSA-N 354.458 1.805 0 40 FDAB CCS(=O)(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888866936 ABDIYPNZZQDRHA-HZPDHXFCSA-N 358.467 1.861 0 40 FDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1cc2ccccn2c1 1888876484 YRVHUKNQULMTTO-UHFFFAOYSA-N 350.300 1.945 0 40 FDAB Cc1cnc(N(C)[C@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1 1889071914 HUWYPGLTOKKGAE-INIZCTEOSA-N 352.504 1.510 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Br)cn2)C1)C1CC1 1889102682 MCVGMBSUMFERLS-SNVBAGLBSA-N 361.265 1.290 0 40 FDAB O=C(N1CCOCC1)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 22318577 CKYLVQPMTGIRFE-UHFFFAOYSA-N 361.833 1.857 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 35286856 ALOKUSOORRIAFZ-LJQANCHMSA-N 357.479 1.900 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)nn1 11738645 YFYJPHKLSRDLRS-UHFFFAOYSA-N 360.395 1.937 0 40 FDAB Cc1nc(CN2CC3(CCN(C(=O)[C@H]4CCOC4)CC3)CC2=O)cs1 2055796010 JTCDJGUTRCYGON-AWEZNQCLSA-N 363.483 1.829 0 40 FDAB COc1c(F)c(F)cc(C(=O)N2CCN(c3cnsn3)CC2)c1F 585148996 VYAVYZNPZAZUSJ-UHFFFAOYSA-N 358.345 1.926 0 40 FDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@H]3CCCNC3)C1)O2 12122874 DUGWHVRCEARLOQ-XOBRGWDASA-N 373.453 1.178 0 40 FDAB CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(/C=C3/C=CC=N3)c(N)n12 33369143 RYZTYDAEKPLOTD-CLFYSBASSA-N 372.431 1.876 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OC)c2)C1 40091915 RFFOXVVFKOQMLN-HNNXBMFYSA-N 354.472 1.763 0 40 FDAB COc1ccccc1CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 40040276 AJPBDFAZINKYSH-OAHLLOKOSA-N 357.332 1.885 0 40 FDAB O=C(NC1CCN(c2ncccn2)CC1)c1cccnc1N1CCOCC1 40134372 BOHZPUNEJCMXTJ-UHFFFAOYSA-N 368.441 1.107 0 40 FDAB O=C(c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)N1CCOCC1 101171416 TXEAKGNGVYRGGV-XJNFMUPTSA-N 352.390 1.471 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)ccc21 101699786 UKFNFNYMWQBYBF-AVGNSLFASA-N 354.410 1.144 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1Cl 32418243 WZFRWHPWBXCDTO-HNNXBMFYSA-N 372.874 1.660 0 40 FDAB C[C@H](C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)n1cncn1 29863576 ZMEFICOXGORNLS-CYBMUJFWSA-N 370.409 1.732 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 3409591 RTEUTDVMSAAGNS-UHFFFAOYSA-N 359.359 1.501 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 9316565 NEDJWSYFTCBBMQ-SFHVURJKSA-N 355.350 1.888 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298452 DZSZSFDLBIDLDC-XCRHUMRWSA-N 367.453 1.640 0 40 FDAB biogenic,in-vitro COc1cc(OC)c2[nH]c(C(=O)OCc3nc(N)nc(N(C)C)n3)cc2c1 22835003 ZGLBCHGVCRCHMM-UHFFFAOYSA-N 372.385 1.375 0 40 FDAB Cc1noc(-c2ccc(C(=O)OCc3nc(N)nc(N(C)C)n3)cc2)n1 22829773 MBKDBHNLVCQONA-UHFFFAOYSA-N 355.358 1.235 0 40 FDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1 810094 AUJPYZFTKSBIAR-CYBMUJFWSA-N 372.874 1.600 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCN1CCN(c2nccs2)CC1 57914582 LFIBKOHLIGRXFP-UHFFFAOYSA-N 365.484 1.454 0 40 FDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3ccccc3)s2)cc1 1417083 ZYPFCZVVXUQCEX-ZPHPHTNESA-N 354.391 1.782 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1 34863169 LVVSBWFHEKEHAW-UHFFFAOYSA-N 365.499 1.232 0 40 FDAB COc1cccc(CN(C)C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 25448790 KXTHYFKGUVASRP-UHFFFAOYSA-N 367.405 1.747 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(OC(F)F)cc1 57364080 MPKHLCHHWGITDQ-UHFFFAOYSA-N 363.368 1.839 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1OC 25413272 LUQPGSIVRCSKLY-ZNMIVQPWSA-N 350.459 1.860 0 40 FDAB O=C1NCCN(S(=O)(=O)c2cccc3nsnc23)[C@@H]1c1ccccc1 58195205 HSALWUUORIBZSD-OAHLLOKOSA-N 374.447 1.553 0 40 FDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1 58265662 DYQZKNYPPPTVLL-UHFFFAOYSA-N 374.391 1.829 0 40 FDAB O=S(=O)(Cc1csc(Br)c1)C[C@H](O)Cn1cccn1 58439325 TTXBGRFIMMKHLA-SNVBAGLBSA-N 365.274 1.683 0 40 FDAB O=C(NCCNc1cnccn1)NCc1cccc(CN2CCOCC2)c1 58415177 BNPVKZRHRSASKD-UHFFFAOYSA-N 370.457 1.220 0 40 FDAB CN1C(=O)COc2ccc(C(=O)Cn3cnc4cc(F)ccc4c3=O)cc21 36355108 AAKHPQXXGSXNIJ-UHFFFAOYSA-N 367.336 1.774 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nc2ncccn2n1 36618810 QPFNFAYFXLXBTQ-UHFFFAOYSA-N 358.789 1.867 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 3378214 GXPOKVKNLMKGEF-KRWDZBQOSA-N 367.405 1.475 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(-c2cccnc2)on1 45883485 HOJICPNPLBOKBL-UHFFFAOYSA-N 365.393 1.898 0 40 FDAB CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(COC)s2)CC1 59749684 AGVVPXWBHMWABC-UHFFFAOYSA-N 355.464 1.797 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2c[nH]c3ccccc23)cc1 3423087 SVICWZNEYBAYMN-UHFFFAOYSA-N 357.435 1.717 0 40 FDAB CC[C@@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 6586490 WDYCWXQVXPRBAZ-GFCCVEGCSA-N 356.492 1.589 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1 6588922 NBDMQQFCBYDESW-UHFFFAOYSA-N 373.434 1.601 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 5570034 QMWHVRRZRJODDL-UHFFFAOYSA-N 358.394 1.860 0 40 FDAB COCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 4815394 FLLKVPOGFXMBIH-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB C/C(Cl)=C/Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 7425699 JRMIUCDXIKGSRH-CHPNCVJKSA-N 351.838 1.802 0 40 FDAB Cc1sc2ncn(CC(=O)N(C)CC(=O)NC(C)(C)C)c(=O)c2c1C 7479313 WCEQIVIONBCZGC-UHFFFAOYSA-N 364.471 1.448 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2ccc3ccccc3n2)n(C)c1=O 9114822 COHJMEDYQJJGQY-UHFFFAOYSA-N 367.434 1.774 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncccn1)n2CC 9202839 OSUGHTWBDAJGEM-UHFFFAOYSA-N 360.443 1.789 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)cc1 8183702 BPGJSWLONHEIQI-UHFFFAOYSA-N 354.409 1.695 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1sccc1C(N)=O)C2=O 9691091 TVFFLPROMREHSO-UHFFFAOYSA-N 364.427 1.286 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)CN2CCOCC2)cc1NS(C)(=O)=O 95453118 CLKLHVITAWQXKI-CYBMUJFWSA-N 355.460 1.273 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1CN1CCNC1=O 95466931 QOTRAVSVSRJIIQ-CHWSQXEVSA-N 361.446 1.637 0 40 FDAB O=S(=O)(/N=c1/[nH]c(CN2CCOCC2)cs1)c1cncc(Cl)c1 95974097 UPIZOZOZGXQRMV-UHFFFAOYSA-N 374.875 1.246 0 40 FDAB COc1ccc(C(=O)NS(=O)(=O)c2cncc(Br)c2)cc1 89438749 ZEDGGJZCLDKXIA-UHFFFAOYSA-N 371.212 1.971 0 40 FDAB Cc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1I 28626120 RFPMGQHOBUEOSE-VIFPVBQESA-N 373.194 1.952 0 40 FDAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704545 PHVZBOCJYDEPCT-RYUDHWBXSA-N 356.444 1.527 0 40 FDAB OC1(O)[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 4602319 XOOYXQMQBKMNDL-KBXIAJHMSA-N 356.415 1.544 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 35393010 RBSCOJZYYPAHSB-HNNXBMFYSA-N 370.471 1.189 0 40 FDAB COCc1nc(C)cc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1 548334151 NZYZEXAEYKTRKS-QGZVFWFLSA-N 361.471 1.938 0 40 FDAB CC(C)c1cc(C(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n[nH]1 524731647 FXBURZUFAQXWCS-CABCVRRESA-N 369.469 1.544 0 40 FDAB biogenic COCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 72265441 UDNCFIVCAZYWEZ-IAGOWNOFSA-N 366.483 1.347 0 40 FDAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)C1 72374028 NQNFHXSIENCBQE-INIZCTEOSA-N 373.432 1.995 0 40 FDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C1=O 77266413 OGRPUPQNHVXZIB-OAHLLOKOSA-N 373.844 1.836 0 40 FDAB biogenic,in-vitro CCN(CC)C(=O)c1cnc([C@H]2CCCCN2CC(=O)N(C)C)nc1C 72345510 IKNRZJLXDHOPER-MRXNPFEDSA-N 361.490 1.882 0 40 FDAB CCc1nccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72379192 FWZCNMMKETZQLE-CQSZACIVSA-N 363.487 1.816 0 40 FDAB Cc1nc2cc(C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)ccc2[nH]1 72344639 KUBCDNVRICTYIF-CQSZACIVSA-N 364.471 1.805 0 40 FDAB CC[C@H](C(=O)N1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O 78582472 DJKMCINNEJHBBB-CQSZACIVSA-N 357.451 1.144 0 40 FDAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc2nc(O)oc2c1 41125005 MIIOEPHGVODRSP-UHFFFAOYSA-N 363.351 1.442 0 40 FDAB COc1cc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc(OC)c1OC 224249558 WUZZWLHEUUVSLM-UHFFFAOYSA-N 374.397 1.591 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)NCC1(O)Cc2ccccc2C1 225716344 JOYFXSZXCVRMBM-UHFFFAOYSA-N 351.399 1.643 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nn(C)c(=O)c3ccccc23)cc1C 77099387 MSQKPMBXJPUDEH-UHFFFAOYSA-N 373.434 1.729 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H](c3ccccc3)C3CC3)cnc21 40033964 IZJZONYPRBCSRX-KRWDZBQOSA-N 351.410 1.788 0 40 FDAB CCN(CC)CCCNC(=O)NCCN1CCN(c2ccccc2)CC1 43003351 QOIUXYCKPONEPV-UHFFFAOYSA-N 361.534 1.840 0 40 FDAB COC(=O)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2C1 96245447 UHYYCOVGOWOAON-CALCHBBNSA-N 358.438 1.489 0 40 FDAB CN(CCCNS(C)(=O)=O)C[C@@H]1C[C@H](F)CN1Cc1cccs1 583622968 OBULSVIAAUYBQE-KBPBESRZSA-N 363.524 1.532 0 40 FDAB CCS(=O)(=O)N1CCC2(CCN(C(=O)c3cscn3)CC2)CC1 96071763 NPQIZECNQKJYLQ-UHFFFAOYSA-N 357.501 1.811 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1cccc(F)c1 96240121 NISQKVSNZCLQQV-HXUWFJFHSA-N 371.412 1.855 0 40 FDAB C[C@H](CN(C)C)NC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 248022916 VEMDVYBDOWZISY-ZRGWGRIASA-N 364.490 1.157 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 248040036 OMSKGDFDBUUFRX-ZDUSSCGKSA-N 354.428 1.039 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)[nH]1 257234904 GVNWSQNJXWSOEZ-CQSZACIVSA-N 359.430 1.599 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3ccccc3C(=O)O)n2)C1 257296927 RFAXCEFVELQVRZ-LBPRGKRZSA-N 361.423 1.981 0 40 FDAB Cc1ccc(CC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)s1 257319353 VSAMFWQYALIMLA-JFIYKMOQSA-N 352.500 1.720 0 40 FDAB CCn1cc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)c(C)n1 257292634 QMJCUENTAKMJQR-UHFFFAOYSA-N 354.414 1.980 0 40 FDAB COc1cncc(S(=O)(=O)N2CCc3ccc(C(=O)O)cc3CC2)c1 543769861 JAQYXOBYAJNUFF-UHFFFAOYSA-N 362.407 1.578 0 40 FDAB CN(C)CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)cc1 257294242 QTEFWSXVFKHCHE-KZNAEPCWSA-N 358.442 1.318 0 40 FDAB Cc1nn(-c2ccncc2)cc1CN[C@@H]1CN(C)C[C@H]1c1cncn1C 1775960010 MUYQIINNKBKMGZ-QZTJIDSGSA-N 351.458 1.497 0 40 FDAB COc1cccc2c(=O)c(C(=O)Nc3n[nH]c(C(F)(F)F)n3)c[nH]c12 604419023 LCDHGDKZZSCVIB-UHFFFAOYSA-N 353.260 1.926 0 40 FDAB Cn1ccnc1[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1NC(=O)C1CC1 1615547684 LKBFYAQZACGSFB-ZIAGYGMSSA-N 366.412 1.676 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3ncn(-c4ccccc4)n3)C[C@H]2O)cn1 625616546 GJUQUAULGNCNQB-IAGOWNOFSA-N 354.414 1.108 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2cc3c(cc2Cl)OCCO3)C1 643818520 PLEMMFJPBLEASY-QGZVFWFLSA-N 354.834 1.574 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@@H]1c1ccccc1 649251814 WMDYCJHCXROYHI-USXIJHARSA-N 351.406 1.908 0 40 FDAB O=C(NC[C@@H](O)Cc1cccc(F)c1)Nc1cnn(C[C@H]2CCCO2)c1 652591135 XWBQFYQZXUTGSM-DLBZAZTESA-N 362.405 1.926 0 40 FDAB COc1cccc2ncn(CC(=O)NC3CCN(C(C)C)CC3)c(=O)c12 657265564 RAFZBJUHIFNJAS-UHFFFAOYSA-N 358.442 1.394 0 40 FDAB Cc1cc(C)nc(N2CCN(C[C@@H]3CCO[C@H]3c3nccn3C)CC2)n1 667967026 APFSILAQOCBCHY-DLBZAZTESA-N 356.474 1.727 0 40 FDAB Cc1nc2cc(NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@H]3C)ccc2o1 674169467 AIEDYMDQAHJJBZ-ZWNOBZJWSA-N 366.443 1.928 0 40 FDAB Cc1cc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c(C)nn1 678077698 BXRYGKURKBDKIN-UHFFFAOYSA-N 368.441 1.120 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@H]12 585109208 CXAUHTGNUXXWAJ-BZUAXINKSA-N 357.435 1.689 0 40 FDAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-n3ccnc3)nn1)CCO2 545955838 MRSCZQHIXAUPTG-AWEZNQCLSA-N 351.366 1.925 0 40 FDAB Cn1ncc(Cl)c1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615128649 UNPBTJMBONGJEJ-SFHVURJKSA-N 374.828 1.722 0 40 FDAB CC(C)N1CCC(N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)CC1 1615157684 PSWOJIAMCMTJRC-WOJBJXKFSA-N 370.497 1.831 0 40 FDAB CC1(C)O[C@@H]2[C@@H](OCCO)C[C@@H](NC(=O)OCc3ccccc3)[C@H]2O1 202908056 OCBUGPAQVZSMFX-QKPAOTATSA-N 351.399 1.583 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC 11175503 KGGADCLAHZJUOU-UHFFFAOYSA-N 350.352 1.939 0 40 FDAB O[C@@H](Cc1ccccc1)CN1CCN(C[C@@H](O)Cc2ccccc2)CC1 19366093 PMQHDSURMLJKRQ-VXKWHMMOSA-N 354.494 1.811 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19457548 ZOVFVUYECUMXPQ-HNNXBMFYSA-N 368.485 1.703 0 40 FDAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCO)CCOCC2)C1 19569359 YTALNNNLEXCPQB-AWEZNQCLSA-N 362.426 1.484 0 40 FDAB Cc1cc(C2(NC(=O)c3ccc(OCC(=O)O)cc3)CCOCC2)on1 630304890 MLEFLWVEIUQWRI-UHFFFAOYSA-N 360.366 1.882 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1O2 12183790 UKNTYZPANULDLR-LJQANCHMSA-N 354.410 1.723 0 40 FDAB CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444707 LYPNIJCBVFDPDG-UHFFFAOYSA-N 368.503 1.086 0 40 FDAB COc1cc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc(OC)c1 1888849981 CDDHWIHPQVFCSC-QGZVFWFLSA-N 366.483 1.480 0 40 FDAB Cn1cnc2c(N3CCN(c4cc(N5CCCC5)ncn4)CC3)ncnc21 1889149086 XONKFDIKMHQILT-UHFFFAOYSA-N 365.445 1.080 0 40 FDAB CN(C)c1ccnc(N2CCN(c3ncnc4cc(F)ccc34)CC2)n1 1889149472 YBNKDPRROWBLBG-UHFFFAOYSA-N 353.405 1.952 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(Cc3ccccn3)C2)C1 1565545106 DNISUVYMSSTCLL-PXCRPINLSA-N 371.481 1.415 0 40 FDAB COCCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 3043503 AGWLIFWXFLPKGZ-LBPRGKRZSA-N 363.439 1.240 0 40 FDAB CCOc1ccc(-n2nnnc2CNC(=O)COc2ccc(F)cc2)cc1 9570505 ZQGNGAUPCAPSAM-UHFFFAOYSA-N 371.372 1.895 0 40 FDAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1cccs1 17178623 FAZCJRJBSHAHNK-KRWDZBQOSA-N 373.478 1.554 0 40 FDAB Cc1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)o1 2055781601 SGHLEFDBRKQDRQ-UHFFFAOYSA-N 356.426 1.942 0 40 FDAB CN(C)c1nc(CNC(=O)/C=C/c2cccs2)nc(N2CCOCC2)n1 575606386 IAIZSAIHSXZDGV-AATRIKPKSA-N 374.470 1.165 0 40 FDAB Cc1nn(CCNS(=O)(=O)N2CCOCC2)c(C)c1-c1cccs1 575612895 PHNVIUZGUNQTAI-UHFFFAOYSA-N 370.500 1.395 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(Nc3cccnn3)C2)cc1Cl 585149129 ZRFRSZMXIBWPLG-UHFFFAOYSA-N 354.819 1.624 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F 20729113 WCWVFYSOCLGELG-BJOHPYRUSA-N 364.352 1.907 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 21138231 VYOGPDCRENMMTO-UHFFFAOYSA-N 351.366 1.132 0 40 FDAB CN(CCOc1ccccc1)C(=O)C1=NN(c2ccccc2)C(=O)CN1 32679492 KOEYOWGNOMHIIX-UHFFFAOYSA-N 352.394 1.474 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102130865 FIJUQUJXUAZFNO-DPDCMNJDSA-N 360.797 1.866 0 40 FDAB O=C(O)CCSc1nnc(SCC(=O)NCC(F)(F)F)s1 3372444 ZDLQTOHXAQWQKW-UHFFFAOYSA-N 361.392 1.876 0 40 FDAB COc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1OC 6320451 SFUWBHAHYDLKOY-UHFFFAOYSA-N 367.456 1.584 0 40 FDAB O=C(NCCNC(=O)c1ccco1)c1ccc(CN2C(=O)CCC2=O)cc1 32908631 OANNMFBEBWUUBL-UHFFFAOYSA-N 369.377 1.088 0 40 FDAB C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCCN1CCOCC1 97035077 LKOVOSYTJNCEIO-HUUCEWRRSA-N 370.494 1.358 0 40 FDAB CNc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(C)cc2)cc1 10386532 MHHDZGCRGRWPFS-HNNXBMFYSA-N 350.440 1.755 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@H]1C[C@@H]2C=C[C@@H]1O2 100188364 BAPCDOLDFWIKOC-BQFCYCMXSA-N 361.405 1.794 0 40 FDAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)n1 842268 WQIRWIRPXCXBQI-UHFFFAOYSA-N 364.409 1.469 0 40 FDAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc1S(N)(=O)=O 9742742 OBIZWYNWLOBUTJ-LLVKDONJSA-N 363.391 1.771 0 40 FDAB CN(CCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 54009033 HRNPUHJJOPLKAY-KRWDZBQOSA-N 360.458 1.156 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20634647 RLHXLAPRBKCXQI-IAQYHMDHSA-N 366.364 1.872 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(C)(C)CN1CCOCC1 100765386 FPEFZMFYWODHPS-IRXDYDNUSA-N 362.518 1.593 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCCN(C(C)C)C3)ccc2c1=O 58179960 XQSJFNUBEZUBTD-CQSZACIVSA-N 372.469 1.560 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)on2)cc1 27664580 LRRQVSHBEKOLES-UHFFFAOYSA-N 371.418 1.962 0 40 FDAB COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC 58278646 NIDWORDEADXAHW-HNNXBMFYSA-N 357.410 1.600 0 40 FDAB CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2cc(OC)ccc21 22236033 HQCOHLCLAUATDH-UHFFFAOYSA-N 373.453 1.482 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1sccc1C(N)=O 3348114 WEGDTJWAUFDHBD-UHFFFAOYSA-N 374.451 1.862 0 40 FDAB COc1ccc(NC(=O)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 10631035 DDRNXNQRKNALKF-UHFFFAOYSA-N 353.334 1.640 0 40 FDAB CCn1c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc21 10651012 WLKMGSYKUNAWHK-STQMWFEESA-N 352.394 1.946 0 40 FDAB COc1ccccc1CNC(=O)CCCn1nnc2ccccc2c1=O 36357361 YFAYHFCKTONGQQ-UHFFFAOYSA-N 352.394 1.897 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2NC1=O 12746848 JJFCTGFMXHIWPY-LBPRGKRZSA-N 368.393 1.890 0 40 FDAB COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)O)C3=O)o2)cc1 408588616 CAXXVRYTVLYSQU-MDWZMJQESA-N 370.317 1.711 0 40 FDAB C[C@@H]1c2cc(F)ccc2O[C@]1(O)C(=O)N1CCN(C(=O)c2ccco2)CC1 12978108 ORFARLUUBHTQTN-BLVKFPJESA-N 374.368 1.588 0 40 FDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)O)C(=O)[C@]31C 4081925 OVGGRSUFQRNYLA-YYSFKGJASA-N 357.366 1.685 0 40 FDAB biogenic Cc1noc(C)c1COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 8490580 UPUNCSKVNCFXCA-SNVBAGLBSA-N 363.395 1.462 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCc3ccco3)ccc12 14183539 CMLQNJSVGMFXGQ-UHFFFAOYSA-N 370.361 1.506 0 40 FDAB C[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)C1 14118020 KKTYLIIBALMZIP-CQSZACIVSA-N 351.410 1.841 0 40 FDAB CCN(C(=O)CN1CC=C(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 6544924 GHPGWBROQCBYND-SFHVURJKSA-N 362.495 1.811 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 6590081 BVPHLHRRXLDFMQ-UHFFFAOYSA-N 372.450 1.754 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 6849499 YHUHVYCZVBXWPC-LBPRGKRZSA-N 365.333 1.666 0 40 FDAB Cc1cccc(OCCS[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 15492279 QVOKEQSLEPUDCU-KGLIPLIRSA-N 357.497 1.799 0 40 FDAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7172566 YHCWJXPUFRPWAF-MRVPVSSYSA-N 358.427 1.981 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O 7229142 ICXRSZYSPWAJBJ-LJQANCHMSA-N 374.416 1.195 0 40 FDAB CN(C)C(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306127896 GKHKUUDFLOAEPT-CHWSQXEVSA-N 354.414 1.316 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409390292 KOGDZCOQAGBIFT-CQSZACIVSA-N 370.471 1.167 0 40 FDAB COCCN(C)CCCC1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 95452455 LGNWASFSVYRVCE-UHFFFAOYSA-N 370.538 1.681 0 40 FDAB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)C2CC2)c1 95970308 JAENKNFZWUWULB-AWEZNQCLSA-N 352.412 1.134 0 40 FDAB CC(C)c1noc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)n1 95960505 NGQVSTZPHJUWIK-UHFFFAOYSA-N 371.507 1.824 0 40 FDAB Cc1ccc(-n2nnnc2S[C@@H](C)c2nc(-c3nc[nH]n3)no2)cc1 78899234 XRMBXYQWGFRHHY-VIFPVBQESA-N 355.387 1.992 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)Nc4nc(C)c(C)s4)ccc3n2n1 79489324 ZVPQAAYYMCIVNW-UHFFFAOYSA-N 369.410 1.460 0 40 FDAB Cn1cc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2ccccc21 79485509 VIEALODSUIMRAC-UHFFFAOYSA-N 362.389 1.612 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN([C@H](C(N)=O)c2ccccc2)C1 548009178 YBHQCFRPZLGBMO-YJBOKZPZSA-N 358.467 1.715 0 40 FDAB Cc1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72378818 TUQCWPSILBFLHJ-HNNXBMFYSA-N 372.454 1.835 0 40 FDAB O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc2nnc(O)n2c1 538927676 OWVJDKDJMSOIJQ-GFCCVEGCSA-N 366.299 1.917 0 40 FDAB Cc1cccc(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 32816923 PIQHJOSUXSOZGS-UHFFFAOYSA-N 364.449 1.820 0 40 FDAB COc1cccc2c1CCN(C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C2 182532031 FCPRXEBGUSGDRL-ZDUSSCGKSA-N 371.359 1.926 0 40 FDAB O=C(NCCNC(=O)[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41)c1ccc(O)cc1 521333051 KOXLQEKZLJTBDZ-BQUMSZHFSA-N 352.434 1.632 0 40 FDAB O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@@H](n2cc(CO)nn2)C1 562892256 COJLUPAKPJSSIU-MRXNPFEDSA-N 356.430 1.913 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)c(F)c1 224204539 YTSULDUMRILSFU-UHFFFAOYSA-N 354.382 1.834 0 40 FDAB CC(C)(C(=O)O)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 567966575 SCJSDZLVHPJNSV-UHFFFAOYSA-N 362.382 1.703 0 40 FDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CC(n2cc(-c3ccccc3)nn2)C1 329525229 HAXDRDVLBZKSIA-CYBMUJFWSA-N 360.439 1.153 0 40 FDAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 223258282 FDHJYGQDXRGESA-HXUWFJFHSA-N 370.449 1.764 0 40 FDAB CCS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](CO)O1 96531875 VYUZKEBERYHQRT-ZWNOBZJWSA-N 355.239 1.989 0 40 FDAB Cc1nc(C)c(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)nc1C 583617691 FUTDUZVHNQXRJX-GOSISDBHSA-N 358.446 1.698 0 40 FDAB Cn1ccnc1C(=O)N[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96056351 IHBIQLDCNCXMSQ-BRWVUGGUSA-N 358.417 1.721 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 248001888 AVPPSTCQQBRZNP-OAHLLOKOSA-N 368.437 1.774 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 257252495 JUZPDMRZVSZYCH-MRXNPFEDSA-N 352.460 1.195 0 40 FDAB Cc1cc(-c2cncn2C)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257339807 ZDHKSUQKXLDXGQ-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2O)cc1 257273361 NGFNRXVIUSFDJE-HZPDHXFCSA-N 359.382 1.012 0 40 FDAB COc1ccc(OCC(=O)N2CCOC[C@@H]2CCc2cnccn2)cc1 257245957 IRVUXIWCCPYKQM-INIZCTEOSA-N 357.410 1.724 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3ccon3)c2)N1 257269033 MOHREZLLKKLJGE-QRTARXTBSA-N 356.382 1.711 0 40 FDAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCCN)C3)c2n1 257313424 USHPWPBZRPXPNS-HXUWFJFHSA-N 371.485 1.467 0 40 FDAB Cc1ccsc1CN1C[C@H]2OC[C@H](CNS(=O)(=O)C3CC3)[C@H]2C1 253599341 ODZBTSQUQOQVJW-NWANDNLSSA-N 356.513 1.585 0 40 FDAB O=C(O)c1cnc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cn1 263465061 WMFUJVYLIWXSGF-UHFFFAOYSA-N 355.398 1.880 0 40 FDAB Cc1cc(C)n(-c2ncc(NC(=O)CNC(=O)c3ccccc3)cn2)n1 85470394 ISAFDFQHUNSDJJ-UHFFFAOYSA-N 350.382 1.648 0 40 FDAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 614681893 OMCQSPMCSIRTNR-HNNXBMFYSA-N 372.425 1.671 0 40 FDAB Cn1cc(O[C@@H]2CN(C(=O)c3coc(-c4ccccc4)n3)C[C@H]2O)cn1 628260208 YHYAQURSRKLEQL-HZPDHXFCSA-N 354.366 1.339 0 40 FDAB CN1CCO[C@@H](CNc2ccnc3cc(F)cnc23)[C@@H]1c1ccnn1C 1775959397 SNBHYGPGLRJTLB-WMZOPIPTSA-N 356.405 1.986 0 40 FDAB C[C@H](NC(=O)C(=O)NC[C@H](O)c1ccc2c(c1)CCN2C)c1ccccc1 96362884 FPFGVMRKZRXDOW-LIRRHRJNSA-N 367.449 1.706 0 40 FDAB CC(=O)N1CC[C@](N)(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 643722054 SJMGAAQGDMEHBZ-QGZVFWFLSA-N 361.833 1.473 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc(F)ccc1Cl 390831733 UKNNHDVYKWBFFF-ZDUSSCGKSA-N 374.865 1.860 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112067 KQYPAHFBZNXVFT-AWEZNQCLSA-N 354.863 1.643 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCOC[C@](O)(COc2ccccc2)C1 585276704 HMWNQSLDXJQHOL-IBGZPJMESA-N 358.394 1.835 0 40 FDAB Cn1ccc(CC(=O)N2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)n1 585113561 UHPIFVCACJDHNI-LJQANCHMSA-N 374.510 1.775 0 40 FDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1)C1CC1 585103935 DXFIVUKVDTWMCI-OAHLLOKOSA-N 368.474 1.889 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@H](C)C2 585097360 JJWRQXFVUHPKLP-GFCCVEGCSA-N 354.414 1.398 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCNC(=O)c2ccccc21 95466284 YUKKUYHACYJFSK-UHFFFAOYSA-N 366.420 1.473 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccncc3Cl)[C@H]3CO[C@@H]2O3)n1 1534640199 SFPOJQQHMNORDC-OVYGPGRDSA-N 364.833 1.364 0 40 FDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cccc(Br)c1 7215672 IBSLYCQTCSODON-UHFFFAOYSA-N 363.277 1.984 0 40 FDAB CCCOc1ccc(C(=O)OCC(=O)NC(=O)NCC)cc1OCC 5210494 IJQWJNWSRBVOHF-UHFFFAOYSA-N 352.387 1.877 0 40 FDAB O=CN1CN(C=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 5601910 AJINOUDPNVVCSN-IAGOWNOFSA-N 368.345 1.241 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 12384304 MVVRECSWYQVSNV-WBOJAVRRSA-N 354.786 1.726 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1 15717924 UWHMJLYTOAXYKX-UHFFFAOYSA-N 360.435 1.905 0 40 FDAB CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)c1C 19523891 KZRPIXOHXOTRFT-UHFFFAOYSA-N 365.459 1.087 0 40 FDAB Cc1cc(=O)n(CC(=O)NCCN2C(=O)CSC2=O)c2ccccc12 19566511 SESSCJZUGOKZPT-UHFFFAOYSA-N 359.407 1.122 0 40 FDAB CCn1cc(C2CCN(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2)cn1 654640106 ZMCPIRGTHMILIN-HNNXBMFYSA-N 373.461 1.962 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ncccc2Br)C1)C1CC1 1888866834 DGGXDVSIEWHGMD-SNVBAGLBSA-N 360.277 1.895 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5nccc(OC)n5)C[C@H]4C3)ncnc21 1888903778 AKVVSBPLJNORIS-CHWSQXEVSA-N 366.429 1.217 0 40 FDAB COc1ccc(Cc2cn(CNC(=O)c3ccc4c(c3)OCO4)nn2)cc1 1889264322 KKRLWGKIAIZWLI-UHFFFAOYSA-N 366.377 1.994 0 40 FDAB O=C(NCCCN1CCOCC1)c1ccccc1I 20805839 BBEWWSPAGWPHRA-UHFFFAOYSA-N 374.222 1.743 0 40 FDAB CCN(C(=O)[C@H](C)Sc1ncc2ccccn12)[C@@H]1CCS(=O)(=O)C1 26591835 HTDYOJLNBHHKHC-GXTWGEPZSA-N 367.496 1.851 0 40 FDAB O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCOCC1 27026060 RKMHNMOGFXHTHL-UHFFFAOYSA-N 356.425 1.292 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)cs1 1614946805 DMQGBSTVFKTIAR-GFCCVEGCSA-N 373.500 1.155 0 40 FDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)Cc1ccc(F)cn1)CCC2 1565548245 VZNWQTZKSHXBPL-UHFFFAOYSA-N 369.404 1.340 0 40 FDAB Cc1cnnn1Cc1nnn2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)CCC2 1565554540 UWFZAWPSWMYUMW-CTYIDZIISA-N 357.462 1.785 0 40 FDAB O=C([C@@H]1CCOC1)N1C[C@H]2Cc3cnc(NCCN4CCCC4)nc3[C@@H]2C1 1565555022 OFYAJRMCKRTBDT-DJIMGWMZSA-N 371.485 1.119 0 40 FDAB CCn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)CCc1cncnc1)C2 1565549436 XBEXFDQHHKYWOZ-MRXNPFEDSA-N 370.457 1.573 0 40 FDAB COc1c(C)cnc2c1c(=O)n(CC(=O)N(C(C)C)C(C)C)c(=O)n2C 9571491 YFNCJIWXHAZLMC-UHFFFAOYSA-N 362.430 1.058 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 13806174 QLOSLRDBQACJFX-UHFFFAOYSA-N 370.409 1.211 0 40 FDAB O=C(Cn1nc(C2CC2)ccc1=O)NCc1nc(-c2ccccc2)no1 575620231 OUCMCZNOTOABJN-UHFFFAOYSA-N 351.366 1.487 0 40 FDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnc(C)cn3)CC2)c1 30109110 GWEFPRGRRSPKBN-UHFFFAOYSA-N 356.426 1.760 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N[C@H](C)c3ccccc3)n2)n1 40267805 GPNGPZIZIXTPPV-OAHLLOKOSA-N 351.410 1.923 0 40 FDAB O=C(CCNc1ncnc2[nH]cnc12)N1CCN(Cc2ccccc2)CC1 20677920 PTIXOZCNHXNIPA-UHFFFAOYSA-N 365.441 1.499 0 40 FDAB COc1cc(/C=C/C(=O)N2CCn3cccc3[C@@H]2C)ccc1OCC(N)=O 46356671 CGJKTBXWSHFGRA-OWNNVSBGSA-N 369.421 1.977 0 40 FDAB CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(F)c2)s1 4231448 GTQKGWNERXMWHA-UHFFFAOYSA-N 365.419 1.946 0 40 FDAB NC(=O)SCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 4362831 CDYGABFPNWILRB-UHFFFAOYSA-N 366.424 1.633 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)c(C)c1 7604580 MWPBTFBFFQPDAB-CYBMUJFWSA-N 358.460 1.213 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N[C@H](C)c1ccccc1 103352239 QZBGWPBNRNTYIL-UONOGXRCSA-N 373.478 1.962 0 40 FDAB C[C@H]1CCCCN1CCNC(=O)Cc1csc(N2CCCC2=O)n1 46861144 FYOZWPNAKACCJG-ZDUSSCGKSA-N 350.488 1.803 0 40 FDAB COc1ccc(CN2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1F 25434991 OSLNVIWIDWCJFS-UHFFFAOYSA-N 362.405 1.887 0 40 FDAB CC(C)OCCCNC(=O)c1cc(Br)ccc1-n1cnnn1 12321952 OFMKTPYAQKZWAB-UHFFFAOYSA-N 368.235 1.970 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCNc2ccccc2C)CC1 24461667 SWTCAWFRHVPRDB-UHFFFAOYSA-N 353.488 1.727 0 40 FDAB Cn1c(=O)c2c(nc(N3CCCC3)n2Cc2ccccc2F)n(C)c1=O 1238419 JEACUCOOQKYISH-UHFFFAOYSA-N 357.389 1.221 0 40 FDAB Cc1cnc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1 24968215 IFQCENCFNAQWSH-UHFFFAOYSA-N 374.466 1.890 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 104850968 FBJSMOXXCHLLIN-UIOLVJJGSA-N 368.389 1.803 0 40 FDAB COCCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57525876 SKZNMGGVVGCDRE-UHFFFAOYSA-N 361.442 1.362 0 40 FDAB CC(C)NC(=O)NC(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21 8706804 CLFMYGJLKHANME-UHFFFAOYSA-N 360.458 1.812 0 40 FDAB Cc1cccc(OC[C@@]2(CNC(=O)c3ccc(F)cc3)C[C@H](O)[C@H](O)C2)n1 107430217 FZNRTEDQYWTJDS-XEMDLRDOSA-N 374.412 1.840 0 40 FDAB biogenic,in-vitro NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 58185890 BPULQHRPOIEEOB-QMMMGPOBSA-N 365.224 1.474 0 40 FDAB O=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(-n2cnnn2)c1 58186189 LIDRUYPSACXJGZ-UHFFFAOYSA-N 359.393 1.821 0 40 FDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCN(C2CC2)C1 58202541 PDSZLMKAIOWWSN-CYBMUJFWSA-N 353.426 1.036 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1nncn1C1CC1 10649779 KPHRNBDHBRPZET-UHFFFAOYSA-N 370.438 1.600 0 40 FDAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccc(OC)c(F)c1 28726983 OJPYVUQFMWURTD-QGZVFWFLSA-N 372.462 1.350 0 40 FDAB COCCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3354783 RBHXTOUWIOVTGJ-KBPBESRZSA-N 370.471 1.251 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)N[C@@H]1CCCc2ccccc21 3338357 DSJNUKBIGLZIJD-KDOFPFPSSA-N 359.451 1.608 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Oc1ccc(C(=O)OC)cc1Br 12731643 HFLODEUFMANCAG-SSDOTTSWSA-N 359.176 1.459 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H](C)O1 12855547 BJOWPDFHBKKXER-GASCZTMLSA-N 364.471 1.358 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nccs2)cc1 12980633 BAVHPJWYROYZTK-UHFFFAOYSA-N 353.425 1.653 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(Cl)cc2)NC(=O)NC1 12979118 ROMKMBAEHHCWOT-UHFFFAOYSA-N 352.774 1.556 0 40 FDAB CCCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]c1=O 13074454 UCPKEEHGOAAENQ-GHMZBOCLSA-N 355.464 1.478 0 40 FDAB COCCNC(=O)NC(=O)CSc1nc2ccccc2c2nc(C)nn12 13229222 CKHZKTBNXSLGAY-UHFFFAOYSA-N 374.426 1.150 0 40 FDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccc(F)cc1 72284052 BYHZZAXZVCQPPL-LSDHHAIUSA-N 352.406 1.855 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1 22531778 CNCSYOLFSZHDFT-OAHLLOKOSA-N 371.478 1.393 0 40 FDAB Cc1cnn(CCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 65564870 RIAZRNBUDRCRQE-UHFFFAOYSA-N 361.446 1.199 0 40 FDAB O=S(=O)(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccnc1 96000673 HZJJMMOQIIQZCW-OAHLLOKOSA-N 369.450 1.557 0 40 FDAB CC(C)OC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 97473283 ZSHSOFYXTALPQW-KRWDZBQOSA-N 359.470 1.641 0 40 FDAB Cn1cc([C@H]2C[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 95424424 SZBFGYAIZRALJC-HLLBOEOZSA-N 352.394 1.817 0 40 FDAB Cn1nc(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79190598 AMSVRKNGGBAKKR-HNAYVOBHSA-N 368.481 1.857 0 40 FDAB biogenic CCOC(=O)COc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1OC 409006832 MDGCVEDHPOSWFW-WQLSENKSSA-N 364.423 1.715 0 40 FDAB CCOc1cc(CNCCNCCO)cc(Br)c1OCC 22076031 CIEGPLJZGMREIU-UHFFFAOYSA-N 361.280 1.918 0 40 FDAB CNC(=O)c1ccc(NC(=O)CNc2ccc(-n3cnnn3)c(C)c2)cc1 23057935 BPUOKPPFQXXDLH-UHFFFAOYSA-N 365.397 1.381 0 40 FDAB c1cc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)ccn1 306137793 RGNWCSWHOFYWAV-QGZVFWFLSA-N 364.453 1.950 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3ccccc3)cnc21 32908240 OAEUMMSIVIOFIW-UHFFFAOYSA-N 352.394 1.467 0 40 FDAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CC2=O)cc1 524732949 FNGGRBHWZFQFNH-INIZCTEOSA-N 369.421 1.834 0 40 FDAB CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 533573507 OEUNPKUKGDNTDD-SECBINFHSA-N 372.397 1.512 0 40 FDAB CCS(=O)(=O)N(C)C1CCN([C@@H](C(=O)O)c2ccccc2C)CC1 566358453 INMOPUUTUIWACY-MRXNPFEDSA-N 354.472 1.867 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3ncccc3O)CC2=O)cc1OC 30516390 HLEFOYZTZVPLAF-LLVKDONJSA-N 357.366 1.796 0 40 FDAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)[C@H]1CCOC1 563200398 HXPDLFCAPVGOBP-JOYOIKCWSA-N 358.188 1.434 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2ncc3ccccc3c2=O)n1 44598440 IDQIOGTVXDEUJT-UHFFFAOYSA-N 358.379 1.668 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225746084 HTSWKCQLFDXXHD-YGNMPJRFSA-N 373.331 1.371 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 80337412 BYPPOVZOLTUQOP-MRXNPFEDSA-N 367.453 1.618 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040465 JKROJPUXOTYSPG-NVXWUHKLSA-N 352.456 1.824 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 96229759 PHCOCVSUXUIJAY-QGZVFWFLSA-N 352.456 1.861 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 96250632 CRFPHCFDAKNGLT-KBAYOESNSA-N 354.410 1.708 0 40 FDAB Cc1cccc(C(=O)N2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)n1 96049014 TVMZUFMSBZXPMY-UHFFFAOYSA-N 371.416 1.831 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4ccccn4)C3)ccnc12 257266389 MCUPSYCPIKTONK-GFCCVEGCSA-N 350.382 1.114 0 40 FDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]21 257205598 AZUFJMMBJJLNGE-VNQPRFMTSA-N 359.455 1.407 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2cncc(Cc3cccc(F)c3)c2)CCO1 257302055 SBEWZQDSGZDRSC-IBGZPJMESA-N 357.385 1.528 0 40 FDAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257304871 SNLYCOOYHPGBPA-CYBMUJFWSA-N 350.448 1.509 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccncc3)C2)nc2c1CC(=O)N2C 257217151 CXSSHRPZZSXTCA-HXUWFJFHSA-N 365.437 1.893 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)nc(N2CCOCC2)n1 257271943 NAKZYOKAQAQBJH-APWZRJJASA-N 359.474 1.368 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1 90678176 SQDHDXQLIVCHHR-UHFFFAOYSA-N 361.423 1.911 0 40 FDAB C[C@H](c1cccnc1)N1CCN(C(=O)Nc2ccnc(OCCO)c2)CC1 668122482 PJXVBZFHVRNSLQ-OAHLLOKOSA-N 371.441 1.758 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 681940802 CUGGVLVBHUSAGF-KRWDZBQOSA-N 357.410 1.369 0 40 FDAB CCOc1cccnc1C(=O)N1CC2(CN(C)C[C@H]2c2n[nH]c(C)n2)C1 1775958071 ASQWELNMALDDHO-ZDUSSCGKSA-N 356.430 1.078 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cscn1 575403708 MYPKOPFNDQGRNX-GFCCVEGCSA-N 373.500 1.094 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 858582778 DBMJMWMKKMVNCJ-MRVWCRGKSA-N 369.890 1.662 0 40 FDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCC(C)(C)CN(C)C)no1 49946263 LTPCIKJMIZUICY-LBPRGKRZSA-N 356.492 1.747 0 40 FDAB Cc1c(NC(=O)CNC(=O)CCC(C)C)c(=O)n(-c2ccccc2)n1C 58294790 MTEOKOTYLLMHCV-UHFFFAOYSA-N 358.442 1.975 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)Nc1cccc(Cl)c1 75105055 GFKMZQZVZUXDHF-AWEZNQCLSA-N 359.879 1.682 0 40 FDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1 96298832 LCOUKSZPXQEMLP-OKILXGFUSA-N 358.442 1.498 0 40 FDAB C[C@@H]1C[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CO1 566734764 HWZHZAGCLHBWLO-RNFRBKRXSA-N 353.213 1.825 0 40 FDAB Cn1cnc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615125372 ZFWYHUPUGZBQTH-IBGZPJMESA-N 358.417 1.957 0 40 FDAB Cn1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)n1 1549162943 XBEGQGVWCWYQIG-SFHVURJKSA-N 367.453 1.311 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549162083 NGBWJHFFSGMAMN-OAHLLOKOSA-N 373.384 1.093 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13265878 JRKQHIDPXYYCKV-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccncc3)cs2)C1 13790183 CUKLJROUGFLZAV-GFCCVEGCSA-N 366.468 1.815 0 40 FDAB Cc1cccn2cc(C(=O)N3CCC[C@@]3(C)C(=O)N3CCOCC3)nc12 19746508 AUQXNOXZXUJUNW-IBGZPJMESA-N 356.426 1.496 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@@H](C(=O)Nc2ccccc2)C1 19747637 IKBBQZJCJCBEIO-CQSZACIVSA-N 360.439 1.970 0 40 FDAB CN(C)C[C@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccccc1 19748395 KYKXNSUCMXQUDH-KRWDZBQOSA-N 367.515 1.467 0 40 FDAB CCn1cc(NC(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)cn1 19749998 KVENMSXKWVZQCC-UHFFFAOYSA-N 371.441 1.766 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccc(F)cc21 161820659 QDLYFPLWXFMRKI-GOEBONIOSA-N 354.447 1.438 0 40 FDAB Fc1ccc(-n2ccc(CN3CCO[C@H](Cn4ccnn4)C3)n2)c(F)c1 639857247 ZVPHFQIGRILTKR-HNNXBMFYSA-N 360.368 1.643 0 40 FDAB CCc1cnc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)nc1 1888860044 SZLIZBAAFKUZLC-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5cscn5)C[C@@H]4C3)ncnc21 1888904189 OBKGDWRCOPTADF-RYUDHWBXSA-N 369.454 1.511 0 40 FDAB Cc1cnc(C(=O)N2CCC(c3nccnc3-c3cncn3C)CC2)cn1 1848352498 LPMZWZGJHBQBAN-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)c1C 2056223600 VOXMOGHDPQNPQF-CALCHBBNSA-N 368.485 1.811 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@H]2O1 1565546022 RAXPFJHVOUXDRU-YESZJQIVSA-N 366.421 1.664 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)cc1 5154259 ULDVYVSVPNRVSN-UHFFFAOYSA-N 359.407 1.776 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055732371 FLLGPVVGACRFOL-OAHLLOKOSA-N 356.426 1.498 0 40 FDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)CCOc3ccccc3)C2)nn1 225432640 RWFPWQCSNGFDJN-INIZCTEOSA-N 363.439 1.647 0 40 FDAB CCOC(=O)CCC(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036360 RDBMLBDTUMXETR-UHFFFAOYSA-N 362.426 1.494 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 220167993 JZXBBZDWHKFQHZ-ZDUSSCGKSA-N 370.409 1.623 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 12346908 VLMYMOTUFYTAQW-CJNGLKHVSA-N 371.393 1.102 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 28224129 BNZZRVRPLICSEX-KGLIPLIRSA-N 362.401 1.980 0 40 FDAB CCn1c(SCc2cc(=O)n3nc(N)[nH]c3n2)nnc1-c1ccccc1 102772106 GQQVOPGWERCGHC-UHFFFAOYSA-N 368.426 1.571 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C[C@@H]2CCCO2)CC1 40079564 OKMLQYSQSGRQMI-WMZOPIPTSA-N 357.454 1.363 0 40 FDAB CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(S(C)(=O)=O)CC1 40005789 RXTJFEASNWQJDV-UHFFFAOYSA-N 367.515 1.311 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@@H](C)CO 40103677 SCLYPDYWWZAFGR-LBPRGKRZSA-N 373.475 1.618 0 40 FDAB COc1cc2ncn(CCC(=O)NCc3ccco3)c(=O)c2cc1OC 32103308 RHNLONDCVUGYMB-UHFFFAOYSA-N 357.366 1.713 0 40 FDAB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccco3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 3851472 OBTBBJPBCHWTRO-HVNMYJMUSA-N 353.371 1.406 0 40 FDAB C[C@H]1Cc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2S1 4107730 OJTPTZIYDDHXRA-VIFPVBQESA-N 351.453 1.819 0 40 FDAB Cc1nnc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)s1 4393261 WUAXYCQUAVWMLP-GBVMLCMLSA-N 371.415 1.182 0 40 FDAB CCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@@](O)(C(F)(F)F)C1 4498590 NOPVUINLBZUXCL-AWEZNQCLSA-N 359.304 1.883 0 40 FDAB CC(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 4818306 NRVNZOXVVUBQTG-UHFFFAOYSA-N 355.442 1.940 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@H]1C(=O)O 6393215 NPJMCPOOMPMAMR-NRUUGDAUSA-N 356.350 1.210 0 40 FDAB Brc1ccc(N2CCN(Cc3nnnn3C3CC3)CC2)nc1 32913836 NLUTWBSSXLWPDN-UHFFFAOYSA-N 364.251 1.488 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(OCC)cc2)c(=O)[nH]c1=O 6790705 TWTCZRRVFVEVQX-UHFFFAOYSA-N 374.441 1.242 0 40 FDAB Cc1cccnc1NC(=O)CSc1nnc(CN2CCOCC2)n1C 6969426 ZDRHMVXSWKCEJJ-UHFFFAOYSA-N 362.459 1.082 0 40 FDAB CCn1nnc2cc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)ccc21 7988795 XKVMIDKKIBFTNT-LLVKDONJSA-N 373.438 1.590 0 40 FDAB Cc1ccc(F)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12228376 BHUIWFMWUYALCL-UHFFFAOYSA-N 374.416 1.934 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1-n1cnnn1 12321572 KEWSQXZOAGFZCK-JTQLQIEISA-N 352.192 1.334 0 40 FDAB COCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965128 IMGUYTBGZGLWEN-UHFFFAOYSA-N 350.387 1.274 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 24777478 BPLFWULJNIDXQH-UHFFFAOYSA-N 366.361 1.693 0 40 FDAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc12 25014652 FDDXQCPLWIFLHJ-UHFFFAOYSA-N 363.337 1.578 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3294980 CDAAJHHOMREKJF-UHFFFAOYSA-N 373.386 1.309 0 40 FDAB Cc1ncsc1CN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 108534272 LSVRGXFIHZGSIA-HOTGVXAUSA-N 358.467 1.962 0 40 FDAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1ccccc1-n1nnnc12 35606496 FMFDAVKLXDMUOG-UHFFFAOYSA-N 370.413 1.632 0 40 FDAB CN(CCOc1ccc(F)cc1)C(=O)Cn1nnc2ccccc2c1=O 12686871 NMQSSDOYYVLAAV-UHFFFAOYSA-N 356.357 1.468 0 40 FDAB C[C@H](NC(=O)CN(CC(=O)N(C)C)CC(F)(F)F)c1ccc(F)cc1 58078316 WOIVZKAHYLHEFX-NSHDSACASA-N 363.355 1.955 0 40 FDAB CSc1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 10054611 SFFBOFWXVWJHKL-LLVKDONJSA-N 351.453 1.511 0 40 FDAB O=C1CN(c2ccccc2)C(=O)N1CN1CCN(c2ccccc2O)CC1 58168474 METGLNMATBGLDF-UHFFFAOYSA-N 366.421 1.941 0 40 FDAB COc1ccc(NC(=O)c2ccoc2C)c(N2CCN(C(C)=O)CC2)n1 58209326 PBNATRLJJUJWAF-UHFFFAOYSA-N 358.398 1.912 0 40 FDAB CCc1cc2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)ncnc2s1 3350515 VVUKXAOGSLYCLV-SECBINFHSA-N 371.509 1.649 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 13029104 ABRAWXLRFNQBHM-UHFFFAOYSA-N 369.420 1.898 0 40 FDAB COC(=O)[C@@H](C)SC1=N/C(=C/c2ccc(-n3cncn3)cc2)C(=O)N1 13125352 HDUDKMVYWDXVEP-SRMXYGTFSA-N 357.395 1.389 0 40 FDAB CN1C(=O)N(CC(=O)NCCOc2ccccc2)C(=O)C12CCCCC2 39975692 YTIXVPMTQSYWSF-UHFFFAOYSA-N 359.426 1.779 0 40 FDAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccccn2)CC1 39964996 GJEKVILSUZFOFW-UHFFFAOYSA-N 360.439 1.690 0 40 FDAB Cc1nn2cc(CCNC(=O)Cc3cnc4c(C)cccn34)nc2s1 65470632 MBJGIVGGGWOKRG-UHFFFAOYSA-N 354.439 1.957 0 40 FDAB Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 14140536 MQGAPVFTDOPOOL-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N(C)Cc1ccccc1 7250309 GBZHYDLLKZZSDW-CQSZACIVSA-N 365.393 1.866 0 40 FDAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)NC(N)=O 7777678 OUMWPISUSUJIOR-SECBINFHSA-N 360.336 1.549 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C)c2ccccc2C1 68861358 UTXOZUQZUSQVFU-HNNXBMFYSA-N 373.478 1.832 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1C 9455738 APQAYSHAARPBBQ-UHFFFAOYSA-N 361.398 1.856 0 40 FDAB Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 81706774 HCVITPBFDMISEF-WIYYLYMNSA-N 352.434 1.818 0 40 FDAB COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C 8556720 UUDLUJPPZVYKNM-UHFFFAOYSA-N 365.455 1.981 0 40 FDAB C[C@@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)N1CCNC1=O 8520620 XHMGLNNNZRUKQX-SECBINFHSA-N 350.758 1.599 0 40 FDAB CCS(=O)(=O)N1CCN([C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 97165381 LGCRAOUDUZGVCR-KGLIPLIRSA-N 363.524 1.646 0 40 FDAB CC[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)c1noc(C)n1 72310248 PNWCLGJABIRPKV-GFCCVEGCSA-N 372.472 1.548 0 40 FDAB NC(=O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cccs1 89800037 JXVGXPSLKBFEFW-UHFFFAOYSA-N 367.452 1.484 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)OCCOC(=O)c1ccccc1 21183836 FXKCURDUXRRZFI-UHFFFAOYSA-N 353.330 1.683 0 40 FDAB CC(C)n1cc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)cn1 306142497 XASXKLIHZWJQGD-MRXNPFEDSA-N 372.473 1.156 0 40 FDAB O=C(NCCN1CCOCC1)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 306124904 CBYATTMXQLCAEO-MRXNPFEDSA-N 354.454 1.630 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218317774 PHJWLSWHUNZAKR-STQMWFEESA-N 374.842 1.963 0 40 FDAB O=C(COC[C@H]1CCCO1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 566049396 AOMZEFVVWWRGOR-HUUCEWRRSA-N 365.499 1.809 0 40 FDAB O=C(NCC(=O)N1CCc2nc3ccccn3c(=O)c2C1)c1ccccc1 225777912 CELRLTZEYZKEIJ-UHFFFAOYSA-N 362.389 1.009 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3cnc4ccnn4c3)CC2=O)cc1 225573603 CRCODPKUXBAICI-GFCCVEGCSA-N 351.366 1.730 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100092 JZKFZVHTTKLQNV-MEDUHNTESA-N 367.365 1.133 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1N1C(=O)CCC1=O 225535957 QOBDPPWYUIUERD-UHFFFAOYSA-N 366.439 1.769 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@H]2CCCO2)c1 47156888 SQXZREGCYKNICC-CYBMUJFWSA-N 370.471 1.635 0 40 FDAB O=C(NCc1nc2ncccn2n1)N1CCC[C@@H](Oc2ncccc2F)C1 576368082 JKPUNDYPIQJCET-GFCCVEGCSA-N 371.376 1.411 0 40 FDAB COc1ccc(CCN2C[C@H]3CCN(C(C)=O)CC[C@H]3S2(=O)=O)cc1 96145511 LIGUUUGAJIFCMX-SJLPKXTDSA-N 366.483 1.510 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 96047319 IUQWVTRUGBZCCA-UHFFFAOYSA-N 366.425 1.425 0 40 FDAB COc1cc(N2CCC[C@@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)ncn1 96075642 YRAAQTGBBUVOHP-VQIMIIECSA-N 361.490 1.108 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 96040071 FCPAWFVTCSZAEX-IAGOWNOFSA-N 352.456 1.824 0 40 FDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1c(C)noc1C)C2 96251094 TWIHWEWWNYQAQA-VQIMIIECSA-N 370.457 1.298 0 40 FDAB CCCCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253454 DGXHEJBOFSXCAP-IXDOHACOSA-N 366.483 1.522 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96047139 YWZZMYRSCTZJKN-KRWDZBQOSA-N 351.472 1.288 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)cc1 257263938 LSDLPQFUDQVFSA-HXUWFJFHSA-N 372.469 1.908 0 40 FDAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2nncn2C)C1 585083444 QUWZOPWQVLQLSP-AWEZNQCLSA-N 350.467 1.241 0 40 FDAB C[C@H]1COC(=O)N1c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257329196 XIWTXZLPWCEQLB-NSHDSACASA-N 354.432 1.036 0 40 FDAB Cc1cccc(O[C@@H](C)CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 266517920 HJXLJTIQLANVRW-KBPBESRZSA-N 355.460 1.095 0 40 FDAB Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc(C(F)F)nc2)cn1 594350221 ZZRMRRRGXADEMG-RZFZLAGVSA-N 354.382 1.699 0 40 FDAB O=C(NC[C@H]1COCCN1C(=O)C[C@H]1CCOC1)C1CC2(CCC2)C1 1775992977 WBLOJSWRDIQUHJ-ZBFHGGJFSA-N 350.459 1.337 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCCc2ccns2)[C@H]1c1nccn1CC 1615550894 VNRLTNLRBKYCFC-ZFWWWQNUSA-N 361.471 1.628 0 40 FDAB CCOC(=O)CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1 606302936 NLQJYLLAHBDQCX-OCCSQVGLSA-N 359.430 1.584 0 40 FDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 585101326 YMODFBTXQDSZSM-UHFFFAOYSA-N 359.401 1.784 0 40 FDAB CC(C)N(C)CC(=O)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110314 DQSRCYAFEYXSAC-UHFFFAOYSA-N 370.501 1.951 0 40 FDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C 585097217 GPBITJYNLLSKHD-AWEZNQCLSA-N 355.442 1.696 0 40 FDAB O=C(NCCNC(=O)c1ccco1)NCc1ccccc1-n1ccnc1 56895091 LKGDMZSMWNJISK-UHFFFAOYSA-N 353.382 1.695 0 40 FDAB Nc1ncnc2c1ncn2CCCSc1nnnn1CC(F)(F)F 69966942 ZLIYDHSGQPKARZ-UHFFFAOYSA-N 359.341 1.140 0 40 FDAB O=C1CN2CCN(C(=O)c3ccncc3)C[C@@H]2COc2ccccc2N1 1772594650 DCDYSIVKLGDPIB-OAHLLOKOSA-N 352.394 1.239 0 40 FDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585672 XBYSCJAZFRIVBA-ZDUSSCGKSA-N 370.452 1.182 0 40 FDAB NC(=S)Nc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1 13598745 JHLHUIHAVSFFSV-UHFFFAOYSA-N 361.446 1.813 0 40 FDAB CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(CC)CC1 19501934 COHOEXQJVRXWGX-MRXNPFEDSA-N 372.473 1.929 0 40 FDAB CN1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1 19973707 AVJARJUQVVWHPO-UHFFFAOYSA-N 362.433 1.838 0 40 FDAB CN(C)CCN1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1=O 661802741 LCDBVPUUBPSMEK-UHFFFAOYSA-N 373.284 1.909 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@@H]4C3)n1)CCC2 1888866292 SUPFHPUYJMLRIY-KBPBESRZSA-N 352.442 1.216 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(c5nc(C)c(F)c(O)n5)C[C@H]4C3)n1)CCC2 1888866859 JZXAACDPLDFKJX-CHWSQXEVSA-N 370.432 1.789 0 40 FDAB Cc1nc(N2CCN(C(=O)c3nn(C)c4ccccc34)CC2)nc(O)c1F 1888882239 GGRRBXGCSZFUFI-UHFFFAOYSA-N 370.388 1.479 0 40 FDAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(S(=O)(=O)c2cnc[nH]2)C3)n1 1888888466 OANIYZHQIUJCIM-BBRMVZONSA-N 363.443 1.378 0 40 FDAB O=C(NC[C@@H]1CCCCN1CC(=O)N1CCOCC1)Nc1ccccc1 26179185 OYQNUKVRRIKLHC-KRWDZBQOSA-N 360.458 1.521 0 40 FDAB CCN(C)C(=O)c1cnc2n1C[C@@H](NC(=O)c1cc(C3CC3)on1)CC2 1565556104 MZQUJUDWPDIQFT-LBPRGKRZSA-N 357.414 1.585 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1 8710199 VADHYUWXILHVKY-UHFFFAOYSA-N 372.816 1.424 0 40 FDAB CCCCn1c(=O)c2c(nc(Br)n2[C@@H](C)C(C)=O)n(C)c1=O 11692422 JDCYESNSNYARDA-QMMMGPOBSA-N 371.235 1.609 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n(C)n1 11694294 DHYWEWYPJWVNKX-CQSZACIVSA-N 366.418 1.659 0 40 FDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccc(Cl)n2)C[C@H]2OCC[C@H]21 2055747063 BUWIQJDTGZBABK-KCQAQPDRSA-N 363.845 1.738 0 40 FDAB Cc1ccnc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 1775972979 ACHBOIBRGAKPIS-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1 575413925 RUGIOPRTXZMLLJ-GFCCVEGCSA-N 358.329 1.204 0 40 FDAB NC(=O)c1cc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ccn1 2298041641 VYJNYSLHTFLRIF-GFCCVEGCSA-N 352.385 1.655 0 40 FDAB CCOC(=O)CCC(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 75165286 CFZINTRUPYYRLI-UHFFFAOYSA-N 372.425 1.371 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436715 GZNPFNUFUTUODN-OAHLLOKOSA-N 358.423 1.776 0 40 FDAB COc1ccccc1CNC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 30989744 OOTHKEWOGPSTRU-UHFFFAOYSA-N 362.474 1.437 0 40 FDAB C[C@]1(O)C[C@H](C[C@@]2(C)O[C@H]2COc2ccc3ccc(=O)oc3c2)OC1=O 40892569 UMYAEKVHXDURJS-OPGCRTJHSA-N 360.362 1.786 0 40 FDAB biogenic NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 18174957 ROAIPIWKUYZYIU-UHFFFAOYSA-N 360.439 1.688 0 40 FDAB N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2575132 BMPPMAOOKQJYIP-WMZOPIPTSA-N 367.405 1.555 0 40 FDAB endogenous,in-man CCOC(=O)C(=O)N1N=C(c2cccc(OC)c2)C[C@]1(O)C(F)(F)F 4266053 SKLHXEFPBKZQBX-AWEZNQCLSA-N 360.288 1.446 0 40 FDAB C[C@@H](OC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2c(=O)[nH]1 4492119 YVEBQPHKBNYJKJ-LLVKDONJSA-N 362.349 1.817 0 40 FDAB CCN1CCN(CCCCNC(=O)N[C@@H]2CCCc3c2cnn3C)CC1 46753536 PQRCZCMFXOLEFV-QGZVFWFLSA-N 362.522 1.514 0 40 FDAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 46916513 KIPLCZUOUKWDEU-NSHDSACASA-N 353.444 1.692 0 40 FDAB CC(=O)Nc1nc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2s1 12408736 GSVRXRTVHPXNPT-SNVBAGLBSA-N 351.409 1.295 0 40 FDAB COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC 3238851 VWNURLMOQLQHOD-UHFFFAOYSA-N 359.382 1.318 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccs2)CC1 25610318 UUEUJCVGZBCHNU-UHFFFAOYSA-N 369.468 1.890 0 40 FDAB O=C1c2ccccc2C(=O)N1CCOCCN1C(=O)c2ccccc2C1=O 1691489 ZSIOPQIUNGCFLQ-UHFFFAOYSA-N 364.357 1.595 0 40 FDAB Cn1cccc1[C@@H]1CCCN1Cc1nc2ccccc2c(=O)n1CC(N)=O 57508709 IWMKGQFKTBTCCK-KRWDZBQOSA-N 365.437 1.557 0 40 FDAB COCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229632 XHWDGPOLVASTCC-OAHLLOKOSA-N 370.471 1.309 0 40 FDAB C[C@@]1(c2ccsc2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 58264647 CVVVXAZTTMAYLD-INIZCTEOSA-N 354.395 1.691 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 36650333 OTCZPIJJQAALKR-KRWDZBQOSA-N 367.405 1.475 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 48301544 AACZSDZGUKUTGO-AWEZNQCLSA-N 362.430 1.148 0 40 FDAB COc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc(OC)c1OC 3451701 FEZKUJYFHSKARJ-UHFFFAOYSA-N 368.386 1.494 0 40 FDAB Cn1cccc1C(=O)NCCNC(=O)CCCNC(=O)c1cccs1 12999458 YFPMTCMPUYTWOB-UHFFFAOYSA-N 362.455 1.143 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3cc(C(=O)O)ccc3F)ccc2N1 12986619 WBNZUKOZZAHLGA-UHFFFAOYSA-N 350.327 1.819 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(N3CCOCC3)nc2)cc1 13001559 BVOGFIGETGERIE-UHFFFAOYSA-N 368.437 1.550 0 40 FDAB C[C@H](NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccco1 19352658 KSBCMYZVFAGWJD-VIFPVBQESA-N 370.358 1.100 0 40 FDAB O=C(N[C@H]1CCSC1=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13653639 KWAZDZBUNVTKHC-JSGCOSHPSA-N 368.480 1.236 0 40 FDAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 9154245 IIJKCAPZBALULW-LJQANCHMSA-N 374.441 1.858 0 40 FDAB CCN(C(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 39972269 WAYSXJWUNHLTIS-NSHDSACASA-N 359.831 1.760 0 40 FDAB CC[C@@H]1C(c2ccccc2)=NN(CC)c2nc3c(c(=O)n(C)c(=O)n3C)n21 4576417 DAFARFASMXFSNA-CYBMUJFWSA-N 366.425 1.629 0 40 FDAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)n[nH]c1=O 14250950 XHNWRGQFCCSUTH-JTQLQIEISA-N 363.443 1.590 0 40 FDAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6561728 HFLFLGDAYANIDM-LBPRGKRZSA-N 365.386 1.023 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNc2ncnc3c2cnn3C)s1 14301266 PEGLTVHZDQVRDH-UHFFFAOYSA-N 352.445 1.287 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)NCCCOC)S(C)(=O)=O)cc1 408907453 OJETXFXXJYGGMB-CYBMUJFWSA-N 358.460 1.393 0 40 FDAB Cc1ccccc1COCCOCn1cc(Br)c(=O)[nH]c1=O 4697970 NMBSBAYDNSICGZ-UHFFFAOYSA-N 369.215 1.798 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 14849019 VWLNRKNHPZVIOD-UHFFFAOYSA-N 365.455 1.411 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 9387494 YJMYHTGPJHJUMY-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 7058306 BZOHUSMSQKFOED-GOSISDBHSA-N 358.398 1.471 0 40 FDAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC(C)C 408700767 LNJXXZFUUJYOPL-UHFFFAOYSA-N 369.487 1.160 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N[C@H](C)c3ccco3)c(=O)c12 7554768 UCUOOKRLDJLRGO-SNVBAGLBSA-N 373.365 1.945 0 40 FDAB O=C(NCc1ccccn1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421681 QCYDGYDWZMXPHA-UHFFFAOYSA-N 371.832 1.934 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cnn(CC)c1 17073564 IXBKMGVMBFOAKM-SNVBAGLBSA-N 356.308 1.889 0 40 FDAB CC(C)(C)c1ccc(CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)cc1 8508426 AJGSGIGHNHUSOE-CQSZACIVSA-N 352.456 1.839 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccccn1 19930494 DFSLCNPGMRRRQC-UHFFFAOYSA-N 359.451 1.771 0 40 FDAB COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)nn1 95941054 LMZWGQUOQVQRHQ-MLGOLLRUSA-N 372.381 1.068 0 40 FDAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N[C@H]1CCS(=O)(=O)C1 27936680 MFMWPDOLDAKANM-VIFPVBQESA-N 351.350 1.083 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408630127 OCBNLJLOFUYTJJ-SECBINFHSA-N 369.270 1.911 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cccc(Cl)c1 408615262 ODLCUWOWJXYTTP-UHFFFAOYSA-N 370.862 1.509 0 40 FDAB OCCOc1cc(Br)c(Br)cc1OCCO 2027129 GDIZPJLCBJDACC-UHFFFAOYSA-N 356.010 1.954 0 40 FDAB biogenic CCOC(=O)C1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 524732925 BFXZUASMOMZVFJ-UHFFFAOYSA-N 363.462 1.815 0 40 FDAB O=C1CO[C@H](C(=O)NCC2(Cn3cccn3)CC2)[C@@H](c2ccccc2)N1 1529099513 ZNAWSNRQIFXNFA-SJORKVTESA-N 354.410 1.036 0 40 FDAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218161266 ZMQZTOVLBDASGG-OKZBNKHCSA-N 361.419 1.699 0 40 FDAB Cc1nc(NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc(C(F)(F)F)n1 567767558 PXUQNGNOZHGWKF-JTQLQIEISA-N 373.356 2.451 0 40 FDAB CC(C)CN1C[C@@H](C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)CC1=O 570775843 XRENUWASEZBPLJ-WMLDXEAASA-N 360.410 1.368 0 40 FDAB COc1ncccc1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225627293 GJIMPNSFNGPITD-UHFFFAOYSA-N 365.393 1.958 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(O)nc(C2CC2)n1 572133750 LVPHPUADEPGYNS-LLVKDONJSA-N 359.407 1.361 0 40 FDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 77184633 AIEKDLMGHKLRQP-LJQANCHMSA-N 374.368 1.195 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 49343642 NWRNWFSBFGXOJJ-HNNXBMFYSA-N 354.414 1.443 0 40 FDAB Cc1ccc(=Nc2cccc(C(=O)N=c3ccn([C@H]4CCNC4)[nH]3)c2)[nH]n1 573919746 XFBSOSNUICMBAL-INIZCTEOSA-N 363.425 1.356 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCCO4)C2)nn1 583383844 WFVYBTBZXAYCQE-CYBMUJFWSA-N 372.381 1.154 0 40 FDAB CS(=O)(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 514289512 MZITZOXTLRWQFI-RYUDHWBXSA-N 351.428 1.478 0 40 FDAB biogenic,in-vitro O=C(N[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1)c1ccccn1 96221091 JFAWNAWGYKNLGU-CQSZACIVSA-N 355.394 1.868 0 40 FDAB COC[C@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1ccc(F)cc1 332376802 UCSYXAMMCOREKO-DOMZBBRYSA-N 358.435 1.589 0 40 FDAB CS(=O)(=O)N[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1 96061741 YFTQZQXFKZRRFC-KGLIPLIRSA-N 352.485 1.273 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4nc[nH]n4)C3)CC2=O)cc1 584406437 HYCNIUGSAPEWSV-QWHCGFSZSA-N 355.398 1.182 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(C2CC2)n1 604382700 ZBVSSVAZEHTMSL-NCXUSEDFSA-N 354.454 1.439 0 40 FDAB biogenic,in-vitro Cc1c[nH]c(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)n1 257305828 SRSAERCUJVCKMA-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCCCN)C2)c2cnccc2n1 257273185 NFOVUJQLJVBBJW-FQEVSTJZSA-N 371.485 1.515 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 252514104 BGOVWFCZECJKAB-XJKCOSOUSA-N 358.435 1.558 0 40 FDAB Cc1ccsc1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257328133 XEHPYMHVLPVSOW-JTQLQIEISA-N 355.441 1.397 0 40 FDAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)Cc1ccc2cnccc2c1 1615549739 RONKLMPSBUNGTR-FHWLQOOXSA-N 365.433 1.814 0 40 FDAB Cn1nc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)c2c1CCCC2 96099197 GVLYIUFVSOGALX-UHFFFAOYSA-N 362.411 1.212 0 40 FDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCO[C@@H](C(=O)O)C2)c1 666516429 SQZCKVJMQOGKBU-SWLSCSKDSA-N 363.414 1.210 0 40 FDAB CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1nc2ccccc2s1 1176602669 PDGNBFNLAIXOFE-YBJDMEARSA-N 355.423 1.506 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCn1nc(-c2ccncc2)cc1C1CC1 96121649 JMPWKDIXQJTRRO-UHFFFAOYSA-N 367.409 1.088 0 40 FDAB Cc1nc[nH]c1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575404511 MYUOMOWBHMTGAM-CQSZACIVSA-N 351.472 1.861 0 40 FDAB COCCN1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585289597 KODRKNCYZISIJO-IPMKNSEASA-N 352.450 1.751 0 40 FDAB Cn1c(C(=O)N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)cccc1=O 585108635 PBCDMNDVHAVLBH-KMFMINBZSA-N 373.384 1.370 0 40 FDAB CCOC(=O)N1CCC(O)(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)CC1 585282080 AEYVHOWJINJQES-LSDHHAIUSA-N 353.463 1.103 0 40 FDAB CNC(=O)C[C@@]1(OC)COCCN(C(=O)CCc2cccc(F)c2)C1 585281557 ZHNVQKFUEWKEJX-SFHVURJKSA-N 352.406 1.138 0 40 FDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)COc1cccc(F)c1 585276746 DMDXKSIWAUZTGQ-HOTGVXAUSA-N 352.406 1.737 0 40 FDAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)cc1 585111311 NYTLPCYNUUSXIO-INIZCTEOSA-N 368.437 1.930 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1F)[C@H](C)C2 585097991 QDOCSNAPNYEVRY-LLVKDONJSA-N 354.407 1.199 0 40 FDAB Cc1ocnc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158660 RMEIASTWGOAYAT-SFHVURJKSA-N 359.357 1.770 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1cccc(O)c1 5870343 BROYFEJZVCUECR-MKSNKDDYSA-N 364.394 1.558 0 40 FDAB Cc1nn(C)cc1CN1CCc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c2C1 12185142 GOLCZHZEPPPWBN-CYBMUJFWSA-N 356.474 1.606 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)c1 12950544 VQZCQCQGHKECBK-UHFFFAOYSA-N 361.467 1.789 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1 13582030 IYNUYIXFNOMEAV-UHFFFAOYSA-N 371.418 1.440 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13674204 OLHSRHNOWOXHOB-AWEZNQCLSA-N 371.503 1.308 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1 19373681 DAETVWNENJJDRF-OAHLLOKOSA-N 372.406 1.894 0 40 FDAB CC(C)OCC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 19708690 GSWMXUYOCWLYPW-GOSISDBHSA-N 374.485 1.558 0 40 FDAB CN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2)C3)CC1 19711269 VYRJIELOACJQQR-UHFFFAOYSA-N 361.471 1.292 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCC2)cc1Cl 19934731 UKJDZOHYWSEDAM-UHFFFAOYSA-N 359.879 1.927 0 40 FDAB O=c1[nH]nc(CC2CCN(S(=O)(=O)C3CC3)CC2)n1-c1cccs1 225546836 YZFFGYPRUWSDLO-UHFFFAOYSA-N 368.484 1.369 0 40 FDAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NC[C@@H]1CCCO1 8769615 UXPZEVUMLCHFFP-INIZCTEOSA-N 371.437 1.745 0 40 FDAB O=S(=O)(CCC(F)(F)F)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888864376 ZDTIBEKIPSPORD-PHIMTYICSA-N 350.366 1.127 0 40 FDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1ccccc1C(F)(F)F 1256672965 YHQRYEJSCQGGGQ-UHFFFAOYSA-N 358.345 1.663 0 40 FDAB Cn1ncnc1CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848745763 PNNYYGFCGXIWOP-UHFFFAOYSA-N 356.405 1.576 0 40 FDAB CN(CCOc1ccc(F)cc1)C(=O)C1CCN(S(C)(=O)=O)CC1 25458467 BZUBBYZAEDVUCA-UHFFFAOYSA-N 358.435 1.335 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1Br 36300198 JOZQUKRQTQCATF-UHFFFAOYSA-N 363.277 1.830 0 40 FDAB O=C([C@H]1NCC[C@@H]1O)N1CCc2sc(COCc3cccnc3)cc2C1 1565554941 LIVZVXRZKTZYNI-WMZOPIPTSA-N 373.478 1.467 0 40 FDAB CCc1ccc(C(=O)N2CCn3c(nc(CN(C)C(C)C)cc3=O)C2)cn1 1565555851 QZHZRIDUBGGXHY-UHFFFAOYSA-N 369.469 1.697 0 40 FDAB O=C(NCc1nnnn1-c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 10593684 VGJBBGCGUKDJKT-UHFFFAOYSA-N 364.340 1.782 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)CC2=CCCCC2)CC1 2055782072 HITLAZXCJQXVQB-UHFFFAOYSA-N 374.485 1.854 0 40 FDAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(c3ncccn3)CC[C@@H]12 2055795707 HTCNDPSXBOEAGW-VQIMIIECSA-N 352.442 1.801 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1Cl 585148853 KOTDJWYVBVNPTB-UHFFFAOYSA-N 374.875 1.711 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN([C@H]3CCCC[C@H]3O)CC2)n1 2298180908 AYONBWASBBXGTF-DLBZAZTESA-N 361.490 1.047 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccsc3)C2)cc1 675008285 OMSAZYXHXDJCTE-GFCCVEGCSA-N 366.464 1.790 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 40133608 CQYKFZVJUHHVBU-CQSZACIVSA-N 367.471 1.105 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 40152785 JOWOKFWMMILKRA-OAHLLOKOSA-N 371.437 1.547 0 40 FDAB COC(=O)c1cn(-c2ccccc2NS(=O)(=O)c2ccccc2)nn1 31648340 NDCNEWYMXSYVGU-UHFFFAOYSA-N 358.379 1.855 0 40 FDAB Cn1cnnc1-c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 31809027 SXGFIGXQMMVROI-UHFFFAOYSA-N 360.377 1.900 0 40 FDAB CN(C)c1ncccc1C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 51194436 PATUKUSCDLTTSD-CQSZACIVSA-N 355.394 1.424 0 40 FDAB COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1 101507696 JLFILQCWJJQEEM-NVXWUHKLSA-N 352.346 1.996 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110829 WVBMDGGNILANLG-SNVBAGLBSA-N 370.812 1.081 0 40 FDAB Cc1nn(C)cc1CN(C)C(=O)c1c(I)cnn1C 2774841 UKVXVEYPGACEEI-UHFFFAOYSA-N 373.198 1.339 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3432463 GEOQYVVYTGKDQB-AWEZNQCLSA-N 364.423 1.667 0 40 FDAB O=c1[nH]c2ncccc2c(O)c1Sc1c(O)c2cccnc2[nH]c1=O 6694564 SIYFQSVDWPYAOC-UHFFFAOYSA-N 354.347 1.722 0 40 FDAB O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)N1CCOCC1 12389144 OSZMVFUAFVBQJR-UHFFFAOYSA-N 359.411 1.065 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 22912484 BWSOCCREAZUCCQ-GOSISDBHSA-N 372.513 1.870 0 40 FDAB Cc1cccc(CN2CCN(CN3C(=O)C(=O)N(C(C)C)C3=O)CC2)c1 23249163 DDUCNULMMIIKPI-UHFFFAOYSA-N 358.442 1.269 0 40 FDAB Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21 2917040 KOILERLDQNKZTC-UHFFFAOYSA-N 350.382 1.203 0 40 FDAB aggregator Cc1[nH]c(SCC(=O)NCCN2CCOCC2)nc1Cc1ccccc1 23466430 MAEFYRDLSONZDN-UHFFFAOYSA-N 374.510 1.849 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100377068 NWIQAZVQQALPMD-BHTHQVBYSA-N 353.296 1.901 0 40 FDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 24877709 AXBMLMWFCMXUMG-GOSISDBHSA-N 361.398 1.041 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc1C 60512640 PRBYCYKRSXNXRO-AWEZNQCLSA-N 362.451 1.987 0 40 FDAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCNC(=O)CC1)C2=O 44781120 SHWDFUAZUBNDBR-UHFFFAOYSA-N 350.463 1.293 0 40 FDAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(F)c1 27591004 YPYYEXKJVZXYFH-KRWDZBQOSA-N 354.389 1.834 0 40 FDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 58203056 WRGSSZPTYAIFPC-ZDUSSCGKSA-N 363.501 1.823 0 40 FDAB Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2108680 FCYSSYDOGGGXSW-MRVPVSSYSA-N 353.758 1.982 0 40 FDAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(=O)[nH]c(O)n1 12658269 PIKZNSMAQCVGNV-WZRBSPASSA-N 352.387 1.636 0 40 FDAB CCN1C[C@@H](C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)CC1=O 58736875 UKTWYQVWZCNNIH-AWEZNQCLSA-N 372.425 1.756 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1 36614820 KJPGERTUSCAKNE-SECBINFHSA-N 365.381 1.558 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cnn(CC)c1 17073565 IXBKMGVMBFOAKM-JTQLQIEISA-N 356.308 1.889 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(F)c1 12772990 LGJMHJNKMFVXPD-SNVBAGLBSA-N 356.357 1.262 0 40 FDAB COC(=O)C1(NS(=O)(=O)c2ccc(CNC(C)=O)s2)CCCCC1 48324196 TYYWBYDXPJRFAD-UHFFFAOYSA-N 374.484 1.538 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)NCCC(=O)Nc1ccccn1 48363761 ADHHFPZRFRZALS-UHFFFAOYSA-N 350.378 1.653 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@H](CC(N)=O)NC(=O)OCC(C)C)c1 409002480 NRYUZSMQZRHVNO-ZDUSSCGKSA-N 367.402 1.269 0 40 FDAB COc1ccc(C(=O)NCC(=O)NC[C@H]2COc3ccccc3O2)cc1 3436911 XPESJHPOIMBMOL-HNNXBMFYSA-N 356.378 1.381 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(C[S@@](C)=O)c2)C1 48467290 GBJKLPDFLWOLMI-OWJWWREXSA-N 352.456 1.916 0 40 FDAB COC(=O)CCCN1C(=O)[C@H]2Cc3cc(OC)c(OC)cc3CN2C1=O 12900709 DFGNUBUAXFXLHJ-CYBMUJFWSA-N 362.382 1.346 0 40 FDAB biogenic C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 13001795 BROOIEYATMNQFB-BETUJISGSA-N 357.410 1.880 0 40 FDAB COc1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc(OC)c1 13012041 FAFLNYCGPNDHEK-UHFFFAOYSA-N 358.350 1.801 0 40 FDAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CCCC1 13143795 FCLUSDBIHBEANS-LBPRGKRZSA-N 357.410 1.846 0 40 FDAB O=C(Cn1nc2c(N3CCCC3)nccn2c1=O)Nc1ccc(F)cc1 49399743 ODVAEMHPQPRLPF-UHFFFAOYSA-N 356.361 1.269 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 4303879 SFULXXCBUBOSPP-UHFFFAOYSA-N 365.393 1.344 0 40 FDAB CN(Cc1ccccc1F)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 7012682 GSMDJKVZSNCRSY-UHFFFAOYSA-N 361.373 1.518 0 40 FDAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)N3CCNC3=O)o2)c1 7297720 VPSBBNQRJMVHJQ-NSHDSACASA-N 362.411 1.989 0 40 FDAB CN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 9114513 JSAXVBQIELOSAO-AWEZNQCLSA-N 359.451 1.620 0 40 FDAB COc1ccc(N2CCC[C@@H](C(=O)Nc3n[nH]c(CC(C)C)n3)C2)nn1 96116590 SZQBHSOZNFXPAE-GFCCVEGCSA-N 359.434 1.657 0 40 FDAB COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1 9342517 MSNAUHUVZHUCEQ-UHFFFAOYSA-N 366.414 1.819 0 40 FDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3cncc(Cl)n3)n2n1 72405119 NLHDIJBGGCBDAS-UHFFFAOYSA-N 361.793 1.926 0 40 FDAB COCCn1cc(C(=O)NCc2c(C)nn(C)c2C)c2ccccc2c1=O 72404012 WQEQEIJNCBIYKZ-UHFFFAOYSA-N 368.437 1.928 0 40 FDAB COC[C@@H](C)Nc1nc(N[C@H](C)COC)nc(OCC(F)(F)F)n1 95431446 NCEACDSVHNYPFV-RKDXNWHRSA-N 353.345 1.706 0 40 FDAB COc1cc(NC(=O)Cn2cc(OC)c(=O)cc2C)cc(OC)c1OC 95478499 OHMVCWCOOFBJOW-UHFFFAOYSA-N 362.382 1.830 0 40 FDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 88787115 IAWPSTGSPSAQOE-LBPRGKRZSA-N 362.415 1.499 0 40 FDAB CS(=O)(=O)c1nc(C(=O)OCc2cccc3nccn23)c2ccccn12 89493029 ZZHYDKZBZBOXJK-UHFFFAOYSA-N 370.390 1.743 0 40 FDAB Cc1c(Cl)c(C(=O)NCCNS(=O)(=O)c2cccs2)nn1C 36617324 ZAOLFMHGRYXACI-UHFFFAOYSA-N 362.864 1.152 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)C1=NNC(=O)CC1)N1CCCCC1 35317010 BRPBHYHRGBTTEA-MRXNPFEDSA-N 358.442 1.604 0 40 FDAB Cc1ccc(C)c([C@H]2CN(CCc3cn(CC(=O)O)nn3)[C@@H](C)CO2)c1 566360949 CSUKSDRPDFGNSN-MAUKXSAKSA-N 358.442 1.984 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)OCO4)C2=O)o1 33728916 VXNDYRZFVZAQMO-SDQBBNPISA-N 370.317 1.888 0 40 FDAB CCc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1 72378728 QXIUACGNLYDOHC-INIZCTEOSA-N 370.457 1.220 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 225679927 YIVLWFNSLQZYDJ-UHFFFAOYSA-N 363.420 1.500 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1 40267500 XUUGJNMYPCPYOE-FRRDWIJNSA-N 368.393 1.690 0 40 FDAB O=C(O)CCCCCOC(=O)COCC(=O)OCCCCCC(=O)O 142103493 IZMHDAREEKZDGH-UHFFFAOYSA-N 362.375 1.379 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96048694 RBXJDNVRLUEUSI-FQEVSTJZSA-N 357.454 1.849 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)N(C)C)C2 97952797 BHYSPCIAWBPWIO-GOSISDBHSA-N 364.515 1.786 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(S(=O)(=O)C1CC1)C2 96237979 CHEMXKWZOIJFOY-QGZVFWFLSA-N 367.446 1.041 0 40 FDAB CCOc1ccc2nc(NC(=O)CN3[C@H]4CC[C@H]3CC(=O)NC4)sc2c1 245227151 CPCVQNYADCIHIR-RYUDHWBXSA-N 374.466 1.986 0 40 FDAB Cc1csc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)n1 247947771 IUSJRYKYSCJGNU-HNNXBMFYSA-N 365.499 1.824 0 40 FDAB COC[C@H]1CN(S(=O)(=O)C2CC2)CC12CCN(Cc1ccco1)CC2 247881850 QEIHKCGGURYOMX-OAHLLOKOSA-N 368.499 1.932 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245229707 DNSNXLOPBIXZMA-NXEZDXNNSA-N 360.410 1.282 0 40 FDAB Cc1nccc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)n1 257283913 PALSPPPXWUOHHJ-AWEZNQCLSA-N 352.398 1.159 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257249990 JKNWHIHHYYMNEE-INIZCTEOSA-N 352.398 1.523 0 40 FDAB Cc1ccc(C(C)(C)C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)cc1 257266505 MDHAXAQMXXDDQB-FQEVSTJZSA-N 354.454 1.820 0 40 FDAB CC(=O)NC[C@@H]1CN(C(=O)c2ccc(OC3CCOCC3)cc2)CCO1 266239213 SWUIOLWGSBAKCZ-GOSISDBHSA-N 362.426 1.222 0 40 FDAB Cc1noc([C@H]2CN(C(=O)NCc3nc4ccccc4n3C)CCN2C)n1 284777547 LGTBFQROPKATEZ-OAHLLOKOSA-N 369.429 1.463 0 40 FDAB C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CN)C1)c1nnc2n1CCCC2 627001512 GESCBKHRHKKKJO-SDDRHHMPSA-N 374.411 1.844 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2nc(Cc3ccccc3)no2)C1 643811141 PPTNIQOSZHVTHV-LJQANCHMSA-N 358.442 1.466 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)N1CCc2c(Cl)cc(F)cc2C1 644490396 MLEVYMGEUAAPBO-HNNXBMFYSA-N 354.809 1.737 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)Cc1c(C)noc1C 675481406 DNNUYNGITGYLNI-YGRLFVJLSA-N 362.434 1.795 0 40 FDAB CCO[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 684530646 SGNGWWDRNPIPTL-MCIONIFRSA-N 367.243 1.874 0 40 FDAB COc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1N1CCCC1=O 96098379 IPLUMFNLDNFKGB-UHFFFAOYSA-N 350.400 1.356 0 40 FDAB Cc1cc(C)cc(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)c1 585105310 SVDWGHJZOOSVQG-INIZCTEOSA-N 352.500 1.834 0 40 FDAB Cc1noc([C@@]23CCN(C)C[C@@H]2CN(Cc2nnc(C)n2C2CC2)C3)n1 685941135 SOFBLNGRSBWTKI-RDTXWAMCSA-N 357.462 1.318 0 40 FDAB Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)nn1C1CCCCC1 685941560 FIEFSLIDRRVLTN-DLBZAZTESA-N 359.430 1.996 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCC[C@H](Cn4cncn4)C3)[nH]2)CC1 685941494 DDHHXHQAJNMJJG-AWEZNQCLSA-N 357.462 1.363 0 40 FDAB O=c1ccnc2sc(N3CCCC[C@@H]3c3nnc4n3CCCC4)nn12 95393719 WSXFAEVIWUDXMY-LLVKDONJSA-N 357.443 1.810 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 301100278 XTZKAAPXDSHKFT-CQSZACIVSA-N 352.456 1.165 0 40 FDAB CCCC(=O)N[C@@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 19228707 SZEUAESLXOLMRD-IONNQARKSA-N 351.683 1.376 0 40 FDAB COC(=O)c1sccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000125 ATYDXOLZTAPLQU-UHFFFAOYSA-N 373.390 1.187 0 40 FDAB COCC(=O)NCc1ccc(-c2nc(N(C)C)ncc2C(=O)N(C)C)cc1 12325820 BMADQJTXJNTUQW-UHFFFAOYSA-N 371.441 1.174 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16025025 VNURPNKDOYXSEL-KYOCCEQOSA-N 361.829 1.879 0 40 FDAB CC1CCN([C@H](C)CNC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)CC1 19496777 KUPQELLUJTWPLR-CVEARBPZSA-N 372.473 1.666 0 40 FDAB CCn1cc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)cn1 19749383 WUZYNOZNZFCIRL-UHFFFAOYSA-N 371.441 1.766 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)N1CCCCC1 19766690 FGAPSFFGCMKOMZ-INIZCTEOSA-N 373.457 1.211 0 40 FDAB Cc1nc(N2CCN(c3ccc(C4CC4)nn3)CC2)c2cnn(C)c2n1 575608398 NIBVXZFUWXVDDY-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13295149 VYTBZMUMLKHSFY-VIFPVBQESA-N 374.401 1.891 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)NC5CCCC5)C[C@H]4C3)nn12 1888863528 LMKXFAMSEDZICX-ZIAGYGMSSA-N 355.446 1.453 0 40 FDAB c1cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc(C2CC2)n1 1888869519 LQYDIBVJOIROGC-UHFFFAOYSA-N 367.457 1.307 0 40 FDAB Cc1nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)cc(C(F)(F)F)n1 1850407833 LOJMNTPFGDSORK-UHFFFAOYSA-N 367.375 1.825 0 40 FDAB CC(C)S(=O)(=O)N1CCN(C)C[C@H](Cc2ccnc3cccnc23)C1 2037838483 IYVNONJYMHXNKO-HNNXBMFYSA-N 362.499 1.774 0 40 FDAB Cc1nc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)cs1 1565554871 IGKYUJSZTPAHDR-UHFFFAOYSA-N 358.431 1.037 0 40 FDAB Cc1ccccc1C(=O)N1CC[C@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 1565541637 JJASGCUOVWVPHV-FQEVSTJZSA-N 367.453 1.292 0 40 FDAB Cn1c(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cccc1=O 1565553521 BRBBOBYRUCWNQV-MRXNPFEDSA-N 365.433 1.521 0 40 FDAB CCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 1075077 CFWIEALNHJCVDL-UHFFFAOYSA-N 369.381 1.735 0 40 FDAB CC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)cc1 11927663 JSSBQVBMADMHJK-UHFFFAOYSA-N 370.409 1.505 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)C1CC1 12071516 ZFEGRBMJQOWFLW-UHFFFAOYSA-N 355.373 1.307 0 40 FDAB COc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)on1 2055750764 WSPZBMHYQVJGAU-DZGCQCFKSA-N 362.386 1.013 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(COc2cccnc2)C1 1775972663 QELWPHKAZMOXCD-UHFFFAOYSA-N 362.407 1.552 0 40 FDAB CCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1=O 8271832 UJNLCFWFNSOZEK-OAHLLOKOSA-N 373.453 1.746 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)c1cnc2sccn2c1=O 40089003 FLPBQRVLPNLBJM-UHFFFAOYSA-N 352.379 1.267 0 40 FDAB Cn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)cnc2n(C)c1=O 40042977 SATVPZWICWOXSS-UHFFFAOYSA-N 350.378 1.225 0 40 FDAB COc1cc(C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2652761 DNVMIUFUSUFFNV-UHFFFAOYSA-N 350.396 1.669 0 40 FDAB O=C(N[C@@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccco1 820560 FKRBNJLJEBAMMX-VIFPVBQESA-N 352.561 1.428 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cc2NC1=O 32772903 CTWNADMJEGBNMQ-NSHDSACASA-N 364.361 1.755 0 40 FDAB C[C@H]1c2cccn2CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 21579436 CPUVWLMEHAJIDZ-HNNXBMFYSA-N 372.494 1.911 0 40 FDAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NC1CCCCCC1 32854144 KCDNRGXTZOMCMY-NSHDSACASA-N 352.508 1.981 0 40 FDAB COC(=O)c1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102581869 BEGKIBDGTBOYPY-IYBDPMFKSA-N 370.405 1.431 0 40 FDAB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1O 6958571 YAEJYKFOKNDENW-BAQGIRSFSA-N 354.160 1.655 0 40 FDAB NC(=O)Cn1cc(NC(=O)/C=C/c2ccc(Br)s2)cn1 32931796 JCLCKEADHMOCRE-DUXPYHPUSA-N 355.217 1.844 0 40 FDAB Cc1cc(CN2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)no1 107711906 YJISKDPLPTZYPC-AEFFLSMTSA-N 351.447 1.459 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1 10385138 LNZZZBSHBFDADD-YPMHNXCESA-N 352.412 1.187 0 40 FDAB O=C([C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)N1CCOCC1 21967131 UBLYUYZFANEXJL-LEHPZIBWSA-N 364.467 1.558 0 40 FDAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 10904347 JSLLOQPRJACXTK-INIZCTEOSA-N 359.426 1.438 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccn2)cc1 22278764 JEUUATQWVNYJLD-ZDUSSCGKSA-N 363.439 1.116 0 40 FDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(C(N)=O)c1 23133515 FOAZTBALTVHEJL-HNNXBMFYSA-N 359.451 1.918 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(OC)cc2)c2ccccc2O1 12514933 GCDBUGXEYVJMKK-KRWDZBQOSA-N 355.394 1.647 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccnc1N1CCOCC1 23642323 DOCCHYSLYMGKIP-HUUCEWRRSA-N 361.442 1.865 0 40 FDAB CCS(=O)(=O)Nc1ccc(CN2C(=O)N[C@H](CCSC)C2=O)cc1 97045869 VOXGBGZHESBCEO-CYBMUJFWSA-N 371.484 1.622 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc21 43282362 AUAWNGXSKAMZDB-HNNXBMFYSA-N 369.425 1.837 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2sc(C)nc2C)CC1 56022486 FIXKLYMCQQBXDW-LLVKDONJSA-N 359.517 1.999 0 40 FDAB CCC(=O)N1CCc2cc(C(=O)CSc3nc(N)cc(N)n3)ccc21 44029973 QUXCGBDVXPOFPT-UHFFFAOYSA-N 357.439 1.915 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375114 XTWMPYDVSJKONX-GXNBUGAJSA-N 371.412 1.851 0 40 FDAB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1702214 JBYVWMGAQVTMOK-INIZCTEOSA-N 356.378 1.900 0 40 FDAB Cn1nccc1/C=c1\sc2n(c1=O)[C@@H]1C[C@@](C)(N=2)Oc2ccccc21 102450289 ZSFIWBDBJOVWJB-SIWIHRPGSA-N 352.419 1.193 0 40 FDAB Cc1cccnc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 108527740 JRJIHKSXXJPIHQ-IRXDYDNUSA-N 351.472 1.157 0 40 FDAB COC(=O)C1CCN(C(=O)CN2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 58177762 MPDIBENOGAYWET-UYAOXDASSA-N 374.481 1.986 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)NCCCNC(=O)c2ccccc2F)C1 58166502 OJIMFVXBSIYGAS-ZDUSSCGKSA-N 357.451 1.512 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36071137 VSOCQLWYMXIQFR-HNNXBMFYSA-N 360.439 1.157 0 40 FDAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 58316011 CSPUQXPBMAIXGP-LLVKDONJSA-N 373.862 1.909 0 40 FDAB COc1ccccc1N1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 3357233 VVQRUZQWXIOJRE-HZPDHXFCSA-N 355.438 1.726 0 40 FDAB COc1cc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc(OC)c1OC 12759452 QKEUXXYXZPGGCN-UHFFFAOYSA-N 361.398 1.984 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2=O)cc1 5204462 ZWRVRDIUIDOMLA-LSDHHAIUSA-N 373.453 1.565 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC)cc1 65588606 SZZQRMJXFZXJMB-RISCZKNCSA-N 357.428 1.583 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(F)cc2)NC(=O)N[C@@H]1C 5668178 DVWMDLKZUGQUAO-OALRPVAKSA-N 362.357 1.901 0 40 FDAB Cc1ccc(OCCS[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 15492220 PHHLIRHHYQDSNR-KBPBESRZSA-N 357.497 1.799 0 40 FDAB CCC(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@H]2C1 306128728 HJBVTVVAACHCAX-RYUDHWBXSA-N 357.389 1.710 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 9053989 UGVVMCIMTPBDQM-KUCQQTCKSA-N 366.439 1.625 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@H]3COc4ccccc4O3)cnc12 9762340 DZKGOAUIHOTJSJ-AWEZNQCLSA-N 365.389 1.661 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)Nc4ncc(C)s4)ccc3n2n1 79495549 BNJIWWONABNRIG-UHFFFAOYSA-N 355.383 1.151 0 40 FDAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2csc(C)n2)CC1 84718651 NKRJNVVTLGPNIQ-MRXNPFEDSA-N 364.515 1.887 0 40 FDAB COC(=O)Cn1ncc2c(N3CCOC[C@@H]3Cc3ccccc3)ncnc21 89401003 KLDXVBMBPXHSQY-HNNXBMFYSA-N 367.409 1.447 0 40 FDAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cc1 306138175 RRQOMBJIQHBUBR-HUUCEWRRSA-N 367.453 1.483 0 40 FDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217636091 HLBSKKFMRVRACK-NWDGAFQWSA-N 372.443 1.289 0 40 FDAB O=C(O)Cc1cnc(COc2c(F)c(F)c(F)c(F)c2F)[nH]c1=O 217388249 OIFBVRGGJQCPQX-UHFFFAOYSA-N 350.199 1.672 0 40 FDAB CCOC(=O)c1c(SC)nn(S(=O)(=O)c2ccc(OC)cc2)c1N 3851882 VSTHEUOUVDFHKL-UHFFFAOYSA-N 371.440 1.610 0 40 FDAB biogenic CCCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)OC)CC3=O)cc2)CC1 72228530 AWPCVZAKHLEJNZ-OAHLLOKOSA-N 373.453 1.661 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3F)ccc21 49548631 NDLULIHAIMHFSN-UHFFFAOYSA-N 356.357 1.271 0 40 FDAB COc1ccc(CCNC(=O)C(=O)Nc2n[nH]c3ncccc23)cc1OC 49545539 UQOIWBNCZWQIBS-UHFFFAOYSA-N 369.381 1.273 0 40 FDAB Cc1nnc(COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)o1 40161424 VUJIJDQJJBMWSF-MELADBBJSA-N 361.398 1.787 0 40 FDAB COc1ccc(O[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nn1 225436095 INYFXVVOTGQYDE-GFCCVEGCSA-N 370.365 1.073 0 40 FDAB O=C(O)c1[nH]c(=O)n(-c2cccc(Cl)c2)c(=O)c1CN1CCCCC1 222664578 UTZKSMHQFXFREU-UHFFFAOYSA-N 363.801 1.863 0 40 FDAB CCS(=O)(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 85435942 AHPHOAOJDSVURK-LLVKDONJSA-N 354.350 1.530 0 40 FDAB biogenic,in-vitro CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)C2)n1 225404682 QRZURZNFZLLTMX-CQSZACIVSA-N 364.409 1.779 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 40087049 MQLSTGOVPDUNSR-HXUWFJFHSA-N 372.513 1.321 0 40 FDAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@@H]2C1 96245456 BLHUHHPGHTVZCM-GASCZTMLSA-N 364.417 1.678 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 230318294 OHKDKVDIUCGOLO-OHHBCXFOSA-N 357.362 1.059 0 40 FDAB O=C(Cc1ccccc1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159042 FGUDLNNEMPJCGL-UHFFFAOYSA-N 352.438 1.917 0 40 FDAB Cc1ccc(N2CCOC[C@]3(CCCN(Cc4nccn4C)C3)C2)nn1 96229176 SXZIGSWPPKECCU-IBGZPJMESA-N 356.474 1.638 0 40 FDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 257215277 CPLNOLRIMSKOKL-HNNXBMFYSA-N 359.430 1.801 0 40 FDAB O=C(c1cc2cccc(F)c2[nH]1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257206364 BDAZKULVCIHYIL-IRXDYDNUSA-N 361.417 1.605 0 40 FDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 257268763 MNBCIIJYHAEMHK-CYBMUJFWSA-N 351.414 1.549 0 40 FDAB COC1CCN(C(=O)c2ccccc2-n2cc(CNC(C)=O)cn2)CC1 257301445 RYLHCRYTSPHHDI-UHFFFAOYSA-N 356.426 1.759 0 40 FDAB COCCN1C(=O)C[C@H](C(=O)NCCc2ccccc2)[C@H]1c1nccn1C 1615548841 JKVAIVYFUHUOMQ-WMZOPIPTSA-N 370.453 1.315 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)c1 1123871412 LFYPMBCQXRSCEB-LJQANCHMSA-N 360.410 1.927 0 40 FDAB COc1cc(N[C@H]2CCCN(c3ncnc4c3nnn4C)C2)cc(OC)c1 663716127 LHTZKKBQVHDQAX-LBPRGKRZSA-N 369.429 1.856 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CCN(CC(F)F)C2)ccc1N1CCNC1=O 668081740 YEAWBTJKJWADJQ-CYBMUJFWSA-N 352.385 1.594 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)[nH]n1 676539027 BBWUTAKFTPDGMB-UHFFFAOYSA-N 359.308 1.622 0 40 FDAB CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC(Cc4ccccc4)C3)c2C1 683090382 TYXLRYCAUGOFPG-KRWDZBQOSA-N 366.465 1.896 0 40 FDAB Cc1onc(N)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 684840626 GHIWPYHSQAKQJH-LBPRGKRZSA-N 354.432 1.664 0 40 FDAB O=C(Nc1ccc2c[nH]nc2c1)C1CN(c2cc(-n3cccn3)ncn2)C1 390826354 IVPZNSMQKKZLAG-UHFFFAOYSA-N 360.381 1.614 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCCc2cn[nH]c2)CCO1 585276286 FWVRQUUJJWMVHJ-FQEVSTJZSA-N 357.454 1.873 0 40 FDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)Cc2ccncc2)C1 585278092 QKMLIJSMIGEDAS-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB O=C(C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1)N1CC(F)(C2CC2)C1 585101295 WFIYBBWAAIHYRV-KRWDZBQOSA-N 359.405 1.552 0 40 FDAB Cc1ccsc1CCC(=O)N1CCN(c2cc(=O)n(C)c(O)n2)CC1 1565521844 CLXWRJFMDFKVFJ-UHFFFAOYSA-N 362.455 1.137 0 40 FDAB O=S(=O)(CCc1ccc(F)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 656957539 VAQKFKTUJKECGU-SJORKVTESA-N 356.463 1.229 0 40 FDAB Cc1ncnc(N2C[C@@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@H]3C2)c1C 585615122 JXAQZKGVAACTEL-HUUCEWRRSA-N 352.442 1.902 0 40 FDAB O=c1[nH]cnc2ccc(NC(=S)N3CCN(c4ccccn4)CC3)cc12 5491578 GFOZFUUJEUUBDE-UHFFFAOYSA-N 366.450 1.837 0 40 FDAB O=S(=O)(NCCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 14138280 KDCYEMZAJAMSPP-UHFFFAOYSA-N 363.391 1.708 0 40 FDAB O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCNCC1)c1ccc(Cl)cc1 19358885 KFCVGEQJNNKFAJ-CVEARBPZSA-N 357.907 1.835 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ncon1 154578241 PQXHZKIMFSSVQX-CHWSQXEVSA-N 364.427 1.348 0 40 FDAB O=C([C@H]1CCOC1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546425 ZCGDDHZKGISFGK-ZDUSSCGKSA-N 362.455 1.440 0 40 FDAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCCC3)ccc2c1=O 3906576 RRIGJKUOSJTVJI-UHFFFAOYSA-N 372.469 1.706 0 40 FDAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@@H]3CCCCO3)C2)n1 1888857202 IHUUJERHQXZITL-SFHVURJKSA-N 369.421 1.871 0 40 FDAB Cn1ncc2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)ncnc21 1776007961 PGTXMVVBDBYDEU-UHFFFAOYSA-N 357.439 1.806 0 40 FDAB O=C1NCCC[C@H]1N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1776001807 MLJLLVPBGAZMGS-OAHLLOKOSA-N 355.417 1.683 0 40 FDAB CCN1CCc2ccccc2NC2(CCN(C(=O)CN(C)C)CC2)CC1=O 2037985676 RWGIAEDJBWFSNR-UHFFFAOYSA-N 372.513 1.816 0 40 FDAB O=C(NC1CCC1)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225212 ILKHOWMBPVICGM-SCLBCKFNSA-N 362.451 1.443 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cccc(=O)n4C)C[C@H]3C2)cs1 1565542671 UCRBVZPSCCHJSZ-OKILXGFUSA-N 358.467 1.354 0 40 FDAB CCCCCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O 6749045 BRGRYDRUCGWRLG-UHFFFAOYSA-N 357.414 1.700 0 40 FDAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCCC2)n1C 12422677 XMOUBPCHHLYWJN-UHFFFAOYSA-N 364.475 1.812 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCc1n[nH]c(=O)c2ccccc12 17200996 JZKMAFKHZWXIJF-UHFFFAOYSA-N 354.410 1.546 0 40 FDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3cnc(Cl)cc3Cl)C[C@H]12 2055713855 RSBUWHKKKNDXHL-WCBMZHEXSA-N 357.197 1.303 0 40 FDAB O=C(NCC(F)(F)F)C1(n2cccn2)CCN(Cc2cccnc2)CC1 2055782264 XMCZWRVLUVJTIE-UHFFFAOYSA-N 367.375 1.948 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CC1 22907379 ZGBWJKRCANTOKK-KRWDZBQOSA-N 353.422 1.774 0 40 FDAB CC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2nc3ccccc3[nH]2)CC[C@H]1O 2332241723 XMXDJGYVWBTZPD-APHBMKBZSA-N 354.414 1.585 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1-n1cccn1)CS2 40091070 UFNXJMICBVQQJC-SUMWQHHRSA-N 357.439 1.338 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)nc1 30433172 BGWWIICKVBGQJS-UHFFFAOYSA-N 371.441 1.571 0 40 FDAB O=C1C[C@H](Cc2ccc(C(=O)N[C@@H](CCO)c3cccs3)cc2)C(=O)N1 101716129 IJKFEIMYKSNAEA-GJZGRUSLSA-N 372.446 1.807 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 309694 WCERGBCHKURJQN-UHFFFAOYSA-N 350.190 1.168 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(=O)[nH]1 18192041 LBGMVTYMAWIENW-UHFFFAOYSA-N 350.400 1.449 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 102069303 CZCFRGRXCHNTJK-DFEHZGFQSA-N 355.390 1.834 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)c1 102398638 HZAXFCZPGVODLB-GJZGRUSLSA-N 372.421 1.960 0 40 FDAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 3843349 PDZQDZYDKNSOJM-XDQVBPFNSA-N 370.398 1.855 0 40 FDAB CCCCCc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 32842571 KNSPJEPFLYCOKN-UHFFFAOYSA-N 368.499 1.902 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 32843644 CLEWVBBBBPOGPU-MRXNPFEDSA-N 362.389 1.476 0 40 FDAB CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 52635894 RTDGHXXVCCQPKS-AWEZNQCLSA-N 353.426 1.828 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(OC)c2)cc1 8158351 AGYOQVWVWYQZSK-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2F)NC(=S)N1C 8193816 YHBIXELPLMEUGH-OAHLLOKOSA-N 367.421 1.959 0 40 FDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccnc1 12374792 ROGQEZDXUUHZDK-OAHLLOKOSA-N 370.331 1.955 0 40 FDAB CSCC[C@@H]1NC(=S)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O 9607604 ZXGDSAUAWFYZQX-WPRPVWTQSA-N 351.453 1.749 0 40 FDAB O=C(COC(=O)c1cccnc1N1CCCC1)NC(=O)NC1CCCC1 22356684 HLUPIANVYZARCU-UHFFFAOYSA-N 360.414 1.607 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1nncn1C 47472329 PYNSFEJMCNHTIN-AWEZNQCLSA-N 357.414 1.135 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCOC(C)(C)C3)n2)cc1 61718351 LWBDLMWJFYAHAK-HNNXBMFYSA-N 371.437 1.993 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)C)c1ccc(C)cc12 806613 RPSMSCGADZDPSE-QGZVFWFLSA-N 360.439 1.905 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc21 101669325 KBQKDQUGLPSVMV-RWMBFGLXSA-N 355.394 1.309 0 40 FDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)NCc2c(C)noc2C)nn1 77197281 GPCFJCGDNYYREC-MRXNPFEDSA-N 371.397 1.555 0 40 FDAB COc1ccc(CC(=O)N(C)C(C)C)cc1S(=O)(=O)N1CCOCC1 78253925 OEGOCYWLHZRAGA-UHFFFAOYSA-N 370.471 1.125 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2 107263857 YKIWTUZDKZIXLZ-CWRNSKLLSA-N 368.430 1.272 0 40 FDAB COc1cccc(CNC[C@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)c1 107283867 VTHKSRFNBQBWEM-ACDBMABISA-N 358.438 1.761 0 40 FDAB biogenic,in-vitro Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2C 24988769 ZKVBNJFCCRYIEQ-HNNXBMFYSA-N 353.430 1.601 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 55950380 ZOQJIVHFDAZKOQ-UHFFFAOYSA-N 366.439 1.535 0 40 FDAB CCOc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1 56059063 ADAGFJZTQSDCAZ-UHFFFAOYSA-N 362.455 1.823 0 40 FDAB C[S@@](=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)cc1 108163705 OFPZHCNEZUYUJM-WFDVWIOOSA-N 366.483 1.930 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC1(c2cccc(F)c2)CC1 108457454 RHLDDOBBHDDBSV-RPLLJCPNSA-N 368.408 1.781 0 40 FDAB Cc1cc(C)cc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 113967548 PURBVHQTEAFNLI-UHFFFAOYSA-N 367.515 1.624 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1 58158598 ZGXGAAOFYMSDGC-UHFFFAOYSA-N 370.494 1.705 0 40 FDAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2ccccc2)C1 58283419 LXPFGLCLBHCCDN-LSDHHAIUSA-N 354.410 1.911 0 40 FDAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCC4(CC3)OCCO4)SC[C@@H]2N1 58365949 XZHZNTCKEFZVDU-YDHLFZDLSA-N 369.487 1.078 0 40 FDAB CNC(=O)C1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 12783748 YCVBDJBZOIXYIC-UHFFFAOYSA-N 374.485 1.125 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(F)cc1 20245180 TYKHWPDTSJVNMF-UHFFFAOYSA-N 366.418 1.150 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1nnc2n1CCCCC2 10961687 MDUDTHSQPCVGPC-UHFFFAOYSA-N 366.425 1.490 0 40 FDAB O=C(Nc1ccc(C(=O)N2CCN(c3cnccn3)CC2)s1)C1CC1 11546288 VQJHVTKLMJFEGL-UHFFFAOYSA-N 357.439 1.849 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1 3429300 LRJNRDVRFJJAKQ-UHFFFAOYSA-N 366.512 1.716 0 40 FDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc2c(c1)OCO2 3592861 IDBDUYHAKJKJMB-UHFFFAOYSA-N 359.382 1.999 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 13007290 CSMQNQYWMCUETJ-ZDUSSCGKSA-N 363.391 1.592 0 40 FDAB O=C(N[C@@H](C(=O)O)[C@H](O)c1ccc2c(c1)OCO2)OCc1ccccc1 39475096 PHFXRWNRHDASFI-HZPDHXFCSA-N 359.334 1.828 0 40 FDAB COCCNC(=O)CNC(=O)c1sc(-c2ccccc2F)nc1C 13736379 IHVUGWYXNHJCTK-UHFFFAOYSA-N 351.403 1.750 0 40 FDAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 4314210 PSPDDDDZRCEVFO-ZDUSSCGKSA-N 359.430 1.293 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(=O)c2ccccc2)cc1 4350854 CUBTUOYYGVLLAD-LBPRGKRZSA-N 354.362 1.919 0 40 FDAB CCOC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 5504781 UWDBAMWUWVHYKG-UHFFFAOYSA-N 354.428 1.671 0 40 FDAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCC(=O)O 4834838 VGCXUJXJQKZFAR-PTNGSMBKSA-N 354.362 1.667 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@H](C(=O)N2CC(F)(F)C2)C1 306141712 WELAOWFRZHRDBP-HNNXBMFYSA-N 362.380 1.926 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284457 QKZUVFYKYMFZFM-UHFFFAOYSA-N 362.365 1.602 0 40 FDAB CNc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 17979360 CKDYEUBTTXFLMX-UHFFFAOYSA-N 369.497 1.960 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H]2CCOC2=O)C(C)C)cc1 18408191 OEFYHVNEQNZFSU-KGLIPLIRSA-N 355.412 1.157 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2nsnc12 19077019 LDWXXHYAQQWOTB-UHFFFAOYSA-N 371.422 1.681 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1C 97012878 GRLBXJLXAFXWCN-INIZCTEOSA-N 365.455 1.808 0 40 FDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 9338450 HFXGMFFESHWYRL-UHFFFAOYSA-N 363.399 1.118 0 40 FDAB CC(C)n1ncc2c(C(=O)NC(CO)CO)cc(-c3cccs3)nc21 95983081 BYBRZTJGGGXYFQ-UHFFFAOYSA-N 360.439 1.824 0 40 FDAB CC(C)[C@](O)(C(=O)NCCCn1nc2ccccn2c1=O)c1ccccc1 75094549 PIDFOHKYNJVFQR-HXUWFJFHSA-N 368.437 1.546 0 40 FDAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)c(Br)n1 89626707 YWXNMRMIOOSLFT-CYBMUJFWSA-N 362.227 1.979 0 40 FDAB COc1cc2nc(NN)n(Cc3ccc4c(c3)OCO4)c(=O)c2cc1OC 408712734 LWSJDXZAMWEBHD-UHFFFAOYSA-N 370.365 1.476 0 40 FDAB CC(=O)c1cn(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)nn1 514711806 IJGTVQWAKZWVSN-SOLBZPMBSA-N 354.410 1.512 0 40 FDAB COC(=O)c1cn(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc2c(O)nnc1-2 524734775 LXUJDSUDKPFSFZ-NEPJUHHUSA-N 352.350 1.749 0 40 FDAB Cn1c(=O)c2c(nc(N)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 72226890 DFRMOWDFSVXWTN-UHFFFAOYSA-N 354.197 1.371 0 40 FDAB CN(C)c1cc(C[C@H]2CNCCN(C(=O)CCc3ccccc3)C2)ncn1 72355102 TUIKSUNSGIOIFB-SFHVURJKSA-N 367.497 1.766 0 40 FDAB COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)cc1C(=O)O 521402299 NLDVDBGHOCWYFG-UHFFFAOYSA-N 356.334 1.654 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)C1 225389876 HAUVWLFSHNOXDZ-CYBMUJFWSA-N 372.381 1.577 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1Br 226686451 BAUBENVRLRMVGR-UHFFFAOYSA-N 364.217 1.442 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1Cl 224234421 VIIQGKYWKUVGRB-UHFFFAOYSA-N 370.862 1.992 0 40 FDAB O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(c2ccc(F)cc2)CC1 40287421 AOSZRGBXOIVIRH-UHFFFAOYSA-N 372.448 1.967 0 40 FDAB Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)o1 97952762 RHCVBRYRLOISCW-LJQANCHMSA-N 362.474 1.672 0 40 FDAB Cn1cccc1C(=O)N1CC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225999 ORZLLHXBPOFHMR-SFHVURJKSA-N 353.382 1.420 0 40 FDAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCC(N2CCCCC2=O)CC1 580544683 XEHVKEDJYGSVOR-UHFFFAOYSA-N 367.453 1.813 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc3c(c2)OCO3)o1 96114441 VFTSDRYFRYBNAF-GFCCVEGCSA-N 362.334 1.916 0 40 FDAB biogenic CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(F)cc2)C[C@H]1O 257337762 YUGCZSQUCRRHCF-RBSFLKMASA-N 368.405 1.287 0 40 FDAB Cn1ccc(NC(=O)CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 257340439 ZGCVVFBIKRCXRN-SFHVURJKSA-N 362.405 1.404 0 40 FDAB CC[C@H]1CN(S(=O)(=O)c2csc(C(=O)O)c2)C[C@]2(CCOC2)O1 368445096 FQDWIZMDSQDYHY-HZMBPMFUSA-N 361.441 1.405 0 40 FDAB Cc1cc(N2C[C@H]3CN(C(=O)COCc4ccccc4)C[C@@H]3C2)ncn1 1775975602 KDFSHCAFABHDGG-ROUUACIJSA-N 352.438 1.896 0 40 FDAB CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cccc(C)c4)CC3)[C@@H]2C1 1615589354 GVAWFLYUEJHUCZ-MSOLQXFVSA-N 371.437 1.651 0 40 FDAB COC[C@H](CS(=O)(=O)N1CCN[C@H](c2ccccc2Cl)C1)OC 1666242857 AJETWNWAEGYKPH-DOMZBBRYSA-N 362.879 1.278 0 40 FDAB O[C@H]1CCN([C@H]2CCC[C@H]2NCc2cccc(CN3CCOCC3)c2)C1 643960519 YDMIYADSUHZSOR-HBMCJLEFSA-N 359.514 1.596 0 40 FDAB C[C@H]1CN(c2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cn2)C[C@H](C)O1 663145594 VDZPKKSFNVMIAU-RYUDHWBXSA-N 359.386 1.229 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncco3)cn2)C1 585178840 LUWPYHKIUBLRPS-LBPRGKRZSA-N 351.432 1.193 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)/C=C/c2ccnn2C)CC[C@@H]1O 585289166 FRIWHFXKEPSTDU-MMUANNJHSA-N 356.426 1.568 0 40 FDAB C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1 585097749 NUFUBMZQWRPRNO-LBPRGKRZSA-N 359.405 1.965 0 40 FDAB COc1ccccc1C1(NC(=O)c2coc(CN3CC[C@H](O)C3)n2)CC1 685943889 HGUUGGSKBYNEQN-ZDUSSCGKSA-N 357.410 1.669 0 40 FDAB Cc1ccc(C)c(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685942660 KUXKFZICATWNFZ-ARFHVFGLSA-N 358.442 1.482 0 40 FDAB Cc1ccc([C@](O)(CCNC(=O)[C@H](C)S(C)(=O)=O)C(F)(F)F)o1 52469933 WIWJQKLAKRINEY-JOYOIKCWSA-N 357.350 1.277 0 40 FDAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1 11851819 MBFMSZFXCBCHSQ-UHFFFAOYSA-N 359.407 1.258 0 40 FDAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 12127480 MZASNTSZLLIUNI-JTQLQIEISA-N 368.846 1.881 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2ncnc3c2nnn3C)c1 13531847 UKHWCNZNITYEAW-UHFFFAOYSA-N 357.399 1.448 0 40 FDAB CC1(C)NC(=O)N(CC(=O)Nc2ccccc2CN2CCCCC2)C1=O 19460077 LKSMXIAFLQFPTC-UHFFFAOYSA-N 358.442 1.941 0 40 FDAB COc1ccccc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2CC1 19570695 QFPWLJGDNRVSJD-UHFFFAOYSA-N 354.454 1.980 0 40 FDAB Cc1ccc(-c2cc(C(=O)NCCS(=O)(=O)N3CCCC3)no2)cc1 19665750 FNFXBQBJKYPJCJ-UHFFFAOYSA-N 363.439 1.805 0 40 FDAB Cc1cc(Br)cnc1N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 624423087 TYXIBVDQEOANRS-CHWSQXEVSA-N 353.220 1.515 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 25249050 NGASZZXGCLUKIO-KBPBESRZSA-N 358.394 1.549 0 40 FDAB C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccncc1F 2086945997 ZQOFAARLWUNPNE-ZDUSSCGKSA-N 374.441 1.876 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CCc1ccc[nH]1)OC2 1565546899 BHFKXKSBEDETBS-CYBMUJFWSA-N 359.430 1.066 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n[nH]1 1565549846 GTNXGKADJPDDLV-SQNIBIBYSA-N 370.409 1.596 0 40 FDAB O=c1c2[nH]c3ccc(F)cc3c2nc2n1[C@H]1CS(=O)(=O)C[C@@H]1S2 4593512 SQIMMBDVXPCISW-UWVGGRQHSA-N 351.384 1.461 0 40 FDAB Cc1ccc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)cn1 2055771796 ZMIVFUZPGKMWLF-ZBFHGGJFSA-N 356.451 1.886 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccccc2C)CC1 2055773111 XURNDGHZEFGILQ-UHFFFAOYSA-N 370.453 1.586 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 23106566 LHAQYIYEXXLEFM-GFCCVEGCSA-N 361.423 1.834 0 40 FDAB CCCc1nnsc1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225446472 HJLPVSNAPNFRMZ-LLVKDONJSA-N 362.459 1.640 0 40 FDAB Cc1cc(C(=O)N2CCN(c3ccc(-c4noc(C)n4)cn3)CC2)no1 42380540 BQQKDOLMPRZTNX-UHFFFAOYSA-N 354.370 1.699 0 40 FDAB COC[C@](C)(CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)OC 618255253 ODMYNQILOFYZTO-INIZCTEOSA-N 354.428 1.980 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccccc1Br 575606103 DMFTZFHGVCOEJG-UHFFFAOYSA-N 362.227 1.925 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)cs1 19571619 OCECKKUBHBCFSM-LBPRGKRZSA-N 356.455 1.785 0 40 FDAB Cc1nc2sc([C@H](c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1 22458764 SKFIRZNFQIBLAS-HNNXBMFYSA-N 373.482 1.504 0 40 FDAB Cc1occc1-c1nnc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)n1N 21093588 WDGLMCHKGCEATN-NXEZZACHSA-N 351.432 1.288 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 3434820 UIIXUBXOGJHCMZ-UHFFFAOYSA-N 352.346 1.773 0 40 FDAB COc1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)c(OC)c1 52605941 BNILCILDEAFYEW-CQSZACIVSA-N 356.444 1.086 0 40 FDAB O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1 21822258 HRBFYCZKAJFIKX-UHFFFAOYSA-N 356.426 1.423 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1ncc(Br)c1C 2777662 FJEVEEAWTKLHIT-UHFFFAOYSA-N 354.252 1.963 0 40 FDAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccs1 57416089 PCZMEDHDRYKOTJ-CQSZACIVSA-N 367.496 1.968 0 40 FDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@@H](C)C2CC2)c1C 53006121 WCANIAUVRFTXFJ-NSHDSACASA-N 356.492 1.445 0 40 FDAB COc1cccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)c1O 69620909 WZFUXXXTSHYUEV-LBPRGKRZSA-N 373.361 1.514 0 40 FDAB CCCCN(C(=O)CSc1nc(C2CC2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 22613652 ANUYWKPWOJLKNA-GFCCVEGCSA-N 372.516 1.590 0 40 FDAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)NC(=O)Nc1ccccc1F 22876294 GUWXPSNFKJRKGA-AWEZNQCLSA-N 364.421 1.270 0 40 FDAB C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1[C@H](O)C[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 102948740 SOPHJADXFALVLH-YHAXPOJCSA-N 354.487 1.057 0 40 FDAB CC(=O)N1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 54173119 QNSRCMUQMOFQAA-UHFFFAOYSA-N 368.363 1.735 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CN(C)Cc2cnn(-c3ccccc3)c2)C1=O 23854801 LLBZDLWLGOLCBS-UHFFFAOYSA-N 369.425 1.708 0 40 FDAB Cc1ccc(C(=O)N2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)s1 55035411 YOGWOPZZKNIGGJ-GJZGRUSLSA-N 373.478 1.723 0 40 FDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 24685905 GFXCRTTYNZNLTF-LBPRGKRZSA-N 350.362 1.995 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C 55396453 GKCXWLJFSKWTTL-AWEZNQCLSA-N 365.459 1.419 0 40 FDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(C)(=O)=O)CC1 24923914 PVWBYOOCFOYNMG-HNNXBMFYSA-N 353.488 1.173 0 40 FDAB Cc1c([C@H](C)NC(=O)CCn2nc(O)c3ccccc3c2=O)cnn1C 25000216 KUOPJYBPHRTFBN-NSHDSACASA-N 355.398 1.412 0 40 FDAB COc1ccccc1N1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 25414691 PLNDWWYYTXFBQZ-UHFFFAOYSA-N 372.513 1.560 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1CN1C(=O)[C@H]2CCCC[C@H]2C1=O 25703292 RUKHYOYGHURBND-IXDOHACOSA-N 356.422 1.719 0 40 FDAB CCS(=O)(=O)N1CCN([C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 97165384 LGCRAOUDUZGVCR-UONOGXRCSA-N 363.524 1.646 0 40 FDAB O=C1O[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)Cc2ccccc21 48247873 UGFJCWGLKKLAKN-GOSISDBHSA-N 353.374 1.898 0 40 FDAB O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 58208713 RNUZHZTYVVIIEW-UHFFFAOYSA-N 371.509 1.744 0 40 FDAB COc1cc(/C=C/C(=O)NCCn2nc3ccccn3c2=O)cc(OC)c1 58224678 NUEFDOVLENYYTP-VOTSOKGWSA-N 368.393 1.343 0 40 FDAB COc1ccc(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 2296806 YCMRSWSTJYWKCP-QGZVFWFLSA-N 370.405 1.166 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(F)cc2)s1 36395158 MKVIZSDPNWVIDV-UHFFFAOYSA-N 357.432 1.577 0 40 FDAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 36579866 CTPIBAYUXNGWOC-AUUYWEPGSA-N 357.410 1.311 0 40 FDAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1nnc2ccccn12 48331775 UVBVVJYXYMIAGT-JTQLQIEISA-N 354.395 1.378 0 40 FDAB CCOC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 4029348 KAAITSSFSMTRPC-NWDGAFQWSA-N 352.481 1.849 0 40 FDAB biogenic NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 92385676 IKMZMHBWUDFMEM-CYBMUJFWSA-N 370.375 1.655 0 40 FDAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(C)(=O)=O)cc2c1 9488169 QNSITLXLIVRWAJ-OAHLLOKOSA-N 350.440 1.777 0 40 FDAB COCCN1CCC[C@@]2(CN(S(=O)(=O)C3CC3)CC(F)(F)C2)C1=O 306126690 FCCYVBVDTFEDMY-CQSZACIVSA-N 366.430 1.075 0 40 FDAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 14253733 CPHXCOIKIFDPEK-AWEZNQCLSA-N 353.378 1.824 0 40 FDAB COCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 4689038 JNRUHSOSYBGNTJ-UHFFFAOYSA-N 373.438 1.988 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCOc3ccc(F)cc3)cc21 6758934 SOJFIQBCMDUGPT-UHFFFAOYSA-N 366.370 1.628 0 40 FDAB O=c1nc2s/c(=C/c3cccs3)c(=O)n2nc1Cc1ccccc1 4880025 OAUPIAOJIOIUHP-GXDHUFHOSA-N 353.428 1.711 0 40 FDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCCc1ccccc1 7056827 ODXXJCTWOOBRQI-ZDUSSCGKSA-N 365.389 1.827 0 40 FDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 69414362 XAABDCHRDYOQTO-DOTOQJQBSA-N 361.442 1.907 0 40 FDAB COCCn1nc(C)c(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1C 84013898 QTGOIBQMVWAWPI-OAHLLOKOSA-N 356.426 1.889 0 40 FDAB CCCCCN1CC(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 97742288 MTWXPFXSZMPDHM-DLBZAZTESA-N 366.483 1.700 0 40 FDAB Cc1nn(C)c(C)c1OCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 95463865 BMTJDDIELKFOCY-MRXNPFEDSA-N 370.409 1.709 0 40 FDAB COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95432780 WZQSMIUUTLWTFC-BMFZPTHFSA-N 365.474 1.759 0 40 FDAB O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(=O)n(-c2ccccc2)n1 95456336 ADSFKWTUDSTPIT-HNNXBMFYSA-N 365.389 1.272 0 40 FDAB COc1cc(F)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1OC 95463049 VVSIYXFFTCIKTM-UHFFFAOYSA-N 370.406 1.177 0 40 FDAB CNS(=O)(=O)c1ccc(NCc2cccc(Cn3cncn3)c2)nc1 95956657 WGAJHBNUYNLCFD-UHFFFAOYSA-N 358.427 1.242 0 40 FDAB CN(C)CCNC(=O)c1nc2c(s1)C[C@H](NC(=O)c1ccncc1)CC2 306141531 VZHZCQDDUCRZQP-CYBMUJFWSA-N 373.482 1.117 0 40 FDAB Nc1ncncc1CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 533780675 BNCCHMXIALCOEF-UHFFFAOYSA-N 374.447 1.883 0 40 FDAB Nc1nc(N)c(I)cc1I 31636780 ZSPDZLAJSZKYDK-UHFFFAOYSA-N 360.924 1.455 0 40 FDAB CN1C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cccnc2N1C 72335320 SHULBZMKWWHKTC-UHFFFAOYSA-N 355.354 1.672 0 40 FDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)CC)CC3)cc2)C1 72228514 NIOJIDZHMYZDQF-OAHLLOKOSA-N 373.453 1.661 0 40 FDAB O=C(CCSc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O 70640940 SXVNPUUMRRYQHC-UHFFFAOYSA-N 369.450 1.728 0 40 FDAB Cn1c(CN2CCC(CCc3ccc(O)cc3)CC2)cc(=O)n(C)c1=O 40046910 SJBZKITXPDASTO-UHFFFAOYSA-N 357.454 1.634 0 40 FDAB Cc1ccccc1OCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 223841697 KJWAMNAJJIMXCB-UHFFFAOYSA-N 374.418 1.335 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(C)C)cc1OC 225234431 YHZKPYRUABAQOS-LBPRGKRZSA-N 358.460 1.485 0 40 FDAB CCS(=O)(=O)N1CCC2(CCN(C(=O)Cc3cccnc3)CC2)CC1 96071768 JOURAOWQKYXMNB-UHFFFAOYSA-N 365.499 1.678 0 40 FDAB COc1ccc(CNC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cc1 96061019 DXBNMQSRZOIVDQ-MRXNPFEDSA-N 354.414 1.376 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107518 MOSNNVULCLXYKA-RDJZCZTQSA-N 352.456 1.714 0 40 FDAB CCC(CC)CNC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266094 YXNJNOWPJKKPML-UHFFFAOYSA-N 362.455 1.830 0 40 FDAB O=C(c1ccncn1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96206152 GIGFNZZROARIJS-NFAWXSAZSA-N 355.398 1.457 0 40 FDAB CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 96209607 ACVWLBYQLSMDAL-WBVHZDCISA-N 352.456 1.272 0 40 FDAB O=C(c1cnccn1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96209144 AYSAFAAEQCONLX-NFAWXSAZSA-N 355.398 1.457 0 40 FDAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N=c1nc(O)c2cnn(C)c2[nH]1 585138475 UWXGCXIVCPSQCB-CJNGLKHVSA-N 352.442 1.813 0 40 FDAB NCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cc1 257215443 CQCQGDBUQHLAKQ-GUDVDZBRSA-N 371.437 1.510 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)c4cccs4)C3)ccnc12 257326074 WVRQLYNVECBPCP-NSHDSACASA-N 355.423 1.780 0 40 FDAB Nc1nonc1C(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257324466 WOUGGPVLYJBSBE-RDBSUJKOSA-N 355.398 1.666 0 40 FDAB Cc1ccc(C(=O)N2CC3(C[C@H](Oc4cncc(C)n4)CCO3)C2)cn1 253601654 VJPLVHHRKZRKNA-MRXNPFEDSA-N 354.410 1.941 0 40 FDAB CN(C(=O)c1cnn2cccnc12)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O 257336682 YPOHMXDQUOBZIC-BZUAXINKSA-N 354.414 1.543 0 40 FDAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257218831 DENSSSVRNWKVJQ-CQSZACIVSA-N 361.423 1.899 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NC[C@H]2CCCO2)Oc2ccc(Cl)cc21 260380163 BPZKPCNSCWOUBC-BXUZGUMPSA-N 374.846 1.162 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1nccn2ccnc12 617588175 QJKBLZQTXDPISA-XJKSGUPXSA-N 354.414 1.843 0 40 FDAB COc1ccc(-c2noc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)n2)cc1 624424244 PTXHOOHBVOCDND-HUUCEWRRSA-N 357.370 1.107 0 40 FDAB O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2ncccn2n1 632191047 NLXUVVHVEYXTRI-UHFFFAOYSA-N 351.410 1.938 0 40 FDAB C[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCc3ccccc32)CCS1(=O)=O 641459205 VGXUQLLZGGMBGR-HOCLYGCPSA-N 371.524 1.945 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c3c(nn2C)CCCC3)[C@@H]1SC 601453360 SBXNRNAQNKOANO-MCIONIFRSA-N 359.517 1.486 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)cn1 585111426 AIUMQHYGMJSOHW-QGZVFWFLSA-N 357.462 1.462 0 40 FDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3cscn3)CC2)C1 585104239 WYVWJOIJMMKMGX-AWEZNQCLSA-N 353.488 1.590 0 40 FDAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cc(F)cc(F)c1 585283136 QCOSHCOBZRJIKX-HKUYNNGSSA-N 371.424 1.837 0 40 FDAB CN1C[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccncc1)C2 585093883 MNQXLSHETPOYIS-QGZVFWFLSA-N 352.438 1.840 0 40 FDAB O=C(c1c(F)cc(F)cc1F)N1CCC(C(=O)N2CCOCC2)CC1 76022558 DDILNUXWCHTRFI-UHFFFAOYSA-N 356.344 1.815 0 40 FDAB Cc1nc(C)c(C)c(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 761883725 IYAKZLYOGXINGB-UHFFFAOYSA-N 371.466 1.673 0 40 FDAB O=C1CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2N1 13688902 RSDCABWWKHZVNY-BETUJISGSA-N 353.378 1.313 0 40 FDAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccco3)s2)CC1 15674493 JTTUULXHISAYSO-UHFFFAOYSA-N 356.429 1.804 0 40 FDAB O=S(=O)(c1cccnc1)N1C[C@@H](CN2CCOCC2)c2ccccc21 19374939 OUVRAMIWQWPHMZ-OAHLLOKOSA-N 359.451 1.706 0 40 FDAB CCN(CC)C(=O)CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C)n1 19760135 PGUCKXOKVRQWLG-INIZCTEOSA-N 362.522 1.610 0 40 FDAB COc1cccc([C@@H]2CO[C@]3(C2)CN(C(=O)c2cc[nH]n2)C[C@H]3OC)c1 643585940 FGRIINWJKDWIQT-POZUXBRTSA-N 357.410 1.832 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC1CN(c2nnc(C)s2)C1 1888873055 DJSBCFFOEBDMHE-UHFFFAOYSA-N 354.457 1.331 0 40 FDAB CS(=O)(=O)c1cccc2sc(=NC3CN(c4cnccn4)C3)[nH]c12 1888882293 WWDFUQWPVXSRGY-UHFFFAOYSA-N 361.452 1.212 0 40 FDAB O=C(NCC1(N2CCSCC2)CCOCC1)c1ccc2c(c1)OCO2 1888897657 SBNQUPGASLZWRE-UHFFFAOYSA-N 364.467 1.743 0 40 FDAB CCOc1ncccc1NC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 27585206 PTTHMIBFADFTNT-UHFFFAOYSA-N 353.382 1.677 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccccn3)cc(C(C)C)nc21 32033035 CXQNAPWIAJYXCT-UHFFFAOYSA-N 367.409 1.553 0 40 FDAB CCn1nc(C(=O)OCC(=O)N(C)Cc2ccco2)c2ccccc2c1=O 37510994 QHWHHSKBCVLZIK-UHFFFAOYSA-N 369.377 1.825 0 40 FDAB O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 238946961 WNBLXHNNVANHFT-CQSZACIVSA-N 364.423 1.307 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC(NC(=O)N(C)C)C2)C1 2056214972 BYRWFAUNUAPPRA-UHFFFAOYSA-N 355.442 1.909 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1C 1565551461 QXSOQMBTLDHSON-ROUUACIJSA-N 367.453 1.604 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)c3csnn3)C2)C1 1565553631 AMYORKCVALXPNJ-QGZVFWFLSA-N 371.422 1.928 0 40 FDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(N2C(=O)CCC2=O)cc1 4072549 VNLAHBGITASOLR-UHFFFAOYSA-N 363.329 1.476 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2ncccn2)CC1 30982395 HKEAMCUUOVGTQY-AWEZNQCLSA-N 355.398 1.148 0 40 FDAB Cc1ccccc1OCC(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1 238922331 UDXKEGKLJUOXHY-UHFFFAOYSA-N 366.483 1.095 0 40 FDAB Cc1ccc(NC(=O)NC[C@H](c2ccco2)N(C)C)cc1-n1cnnn1 40104922 XZGFYQSMVQLIPY-OAHLLOKOSA-N 355.402 1.988 0 40 FDAB O=C(CCc1ccccc1)NC1CCN(Cc2nnnn2C2CC2)CC1 40120475 OLDGBBPKOSRSDK-UHFFFAOYSA-N 354.458 1.721 0 40 FDAB CC(C)c1noc([C@H](C)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 31788451 GCLSVUFGJBMQCS-ZDUSSCGKSA-N 365.459 1.656 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnc2ccccc2n1 21634534 QIAPESVXXGKPID-UHFFFAOYSA-N 370.434 1.810 0 40 FDAB CCOc1cc2c(cc1CNS(=O)(=O)N1CCOCC1)O[C@H](C)C2 32900040 XRBFQECZKFKEQG-GFCCVEGCSA-N 356.444 1.075 0 40 FDAB O[C@@H]1[C@H]2O[C@@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@@H]2[C@@H]1O 4963555 RMBCOPKGIYEQJZ-PHLNEYKJSA-N 356.374 1.687 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102082591 PXSNVBYMSGMFIC-AUTURXRWSA-N 364.401 1.881 0 40 FDAB CC(=O)Nc1nc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cs1 8262647 NZAKSLOZBGBOCA-ZDUSSCGKSA-N 361.379 1.935 0 40 FDAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)COc1ccc2c(c1)OCO2 58162821 HTEWUFZUKKDDLB-CYBMUJFWSA-N 354.362 1.874 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 57820789 ALWRKZOYYAXIPQ-UHFFFAOYSA-N 359.426 1.322 0 40 FDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(c2ccccc2)CC1 23381524 XRSJZUJXMXPRQH-UHFFFAOYSA-N 356.426 1.500 0 40 FDAB Cc1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1064287 ZPFPJHIDTHBOKC-UHFFFAOYSA-N 369.446 1.902 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3O)C2=O)o1 109275029 IEUJCKFIFNTBIE-WQLSENKSSA-N 372.333 1.873 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccsc2C(=O)OC)C1 24763964 HHPGTVDQOKUMLJ-LLVKDONJSA-N 354.428 1.748 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cnn(-c2ccccc2)c1 24841943 LXVQYMUSSXRTGY-UHFFFAOYSA-N 367.409 1.353 0 40 FDAB CCOc1ccccc1N1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 12537158 MIOJTXJHTAOPQM-AWEZNQCLSA-N 371.489 1.802 0 40 FDAB CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 3217651 OIXGVBRKBPHLLM-CQSZACIVSA-N 354.472 1.670 0 40 FDAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)C1 108309493 SAZVQJZHVYRLFK-AWEZNQCLSA-N 356.430 1.854 0 40 FDAB CC(C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2099358 ZKMYAUUTYOJRFL-KRWDZBQOSA-N 359.378 1.886 0 40 FDAB biogenic COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1 22391945 QPHWOFAGGUAYEL-UHFFFAOYSA-N 368.436 1.794 0 40 FDAB COc1ccc(C(=O)N2CCOCC2(C)C)cc1S(=O)(=O)N(C)C 58224460 DUAKCDOXAPJWCA-UHFFFAOYSA-N 356.444 1.197 0 40 FDAB Cc1nc(S(=O)(=O)NCCC(=O)Nc2nc(C3CC3)cs2)cn1C 58294964 DFUYZKHUTRYACX-UHFFFAOYSA-N 369.472 1.370 0 40 FDAB O=C(CCNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O 2328196 XMBIVFRLLWPDKD-UHFFFAOYSA-N 352.346 1.603 0 40 FDAB O=C(NCCc1ccc(O)cc1)C1CCC(CN2C(=O)C=CC2=O)CC1 2565929 PZGLHUJXUJVZDW-UHFFFAOYSA-N 356.422 1.782 0 40 FDAB in-vitro COc1ccc(C(=O)NCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 3436914 XPESJHPOIMBMOL-OAHLLOKOSA-N 356.378 1.381 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1 17168703 HMXCOYMKVNYPQA-UHFFFAOYSA-N 363.439 1.465 0 40 FDAB CN1C(=O)NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@@H]32)C1=O 8695486 KWLFSYNRWIXMLB-WBMJQRKESA-N 367.327 1.925 0 40 FDAB Cn1nc2c(c1NC(=O)Cn1nc(-c3ccco3)ccc1=O)CSC2 61720719 PPBRGPKOKFAKSI-UHFFFAOYSA-N 357.395 1.622 0 40 FDAB Cc1cccc(NC(=O)NC(=O)Cn2nnc3ccccc3c2=O)c1C 8754513 NRQZBPCCAISNPN-UHFFFAOYSA-N 351.366 1.757 0 40 FDAB CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3ccccc3n2)cc1 18958790 MWJGSYLTZSYOJF-UHFFFAOYSA-N 351.362 1.939 0 40 FDAB Cc1nn(CC(=O)N[C@@H](C)C(C)C)c(C)c1S(=O)(=O)N1CCCCC1 7024868 QBGZPDTYKYZGOV-ZDUSSCGKSA-N 370.519 1.835 0 40 FDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 8991392 YAYBXDAWZQURKT-CQSZACIVSA-N 369.421 1.095 0 40 FDAB O=C(Cn1[nH]c(=O)ccc1=O)OCc1ncc(-c2cccc(Cl)c2)o1 7738478 CTIKEQGEASEDQD-UHFFFAOYSA-N 361.741 1.588 0 40 FDAB O=C(CN1CCOCC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 93242622 SADULGNSURPLBY-LSDHHAIUSA-N 358.360 1.672 0 40 FDAB O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCC1 8036101 JQHOARIGAJRCQP-UHFFFAOYSA-N 372.406 1.503 0 40 FDAB Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 9306054 BFDSSCMJLSKYFR-UHFFFAOYSA-N 369.425 1.219 0 40 FDAB CC(=O)Nc1ccc(/C=c2/sc(=C(C#N)C#N)n(C3CC3)c2=O)cc1 84774060 WFAQDTBAOHUEQA-LZYBPNLTSA-N 350.403 1.230 0 40 FDAB COc1ccc(CN2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 95958427 LNYYOONFFXMBBX-RTBURBONSA-N 369.465 1.722 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1COCCO1 89662231 ZYUDREHDQMWENF-KGLIPLIRSA-N 357.451 1.491 0 40 FDAB O=C(OCc1nc(-c2cccnc2)no1)c1[nH]ncc1Br 89794115 LTMZBTXPBPTZMS-UHFFFAOYSA-N 350.132 1.974 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408617279 CJISLHZFHZTTJF-HNNXBMFYSA-N 370.471 1.391 0 40 FDAB O=C(C1CC1)N1CCO[C@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306129738 ILMUUWBJVCLXEY-INIZCTEOSA-N 356.426 1.481 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)cn1 306125290 CLJYANIGRSNBHX-WBAXXEDZSA-N 356.426 1.509 0 40 FDAB O=C(Nc1nc(C2CCNCC2)cs1)c1ccccc1-n1cnnn1 521860099 SZWLSNQXYMKWIJ-UHFFFAOYSA-N 355.427 1.838 0 40 FDAB CCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 188284876 MCQBXYBFILIOCR-UHFFFAOYSA-N 350.444 1.728 0 40 FDAB CCN1CCN(S(=O)(=O)c2cncc(Br)c2S)CC1 72210923 GTZODMGLMBXSPU-UHFFFAOYSA-N 366.306 1.459 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)cc1 72402051 PXSPIPWBZOBLLD-UHFFFAOYSA-N 367.361 1.836 0 40 FDAB Cc1nn(CC(=O)N2CCN(C(C)C)CC2)c(=O)c2cc3occc3n12 72346386 INLYOVIIUQDJCA-UHFFFAOYSA-N 357.414 1.103 0 40 FDAB O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32072131 KIEJKKXMQWZRSN-INIZCTEOSA-N 350.426 1.700 0 40 FDAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NC[C@@H]1COCCO1 35315859 ONPJOFZCHWLNCB-CQSZACIVSA-N 363.801 1.095 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1O 40266499 WGAPWVDASPNJQT-UHFFFAOYSA-N 372.333 1.162 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)Nc3nc4c(s3)COCC4)C[C@H]2CO)cn1 577169818 WTSMQNSLCSQMBS-RYUDHWBXSA-N 363.443 1.189 0 40 FDAB Cn1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1=O 96103723 NKEKPHUWVXUFGK-UHFFFAOYSA-N 354.332 1.908 0 40 FDAB COC(=O)C[C@@H](c1c(O)nc2ccc(Cl)cn2c1=O)c1ccnn1C 96118288 HIACUVLGJMQQKA-SNVBAGLBSA-N 362.773 1.482 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)c3cccs3)C2)O1 96207851 WXBDAVMGHZVLRO-SWLSCSKDSA-N 358.485 1.451 0 40 FDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)cn1 96043365 DPMVREPKDPCTHK-FGTMMUONSA-N 355.442 1.681 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1 96345642 DZSYEOIHMBPEOT-SECBINFHSA-N 372.410 1.552 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202988 YBOKTYRMDKZCSP-UHFFFAOYSA-N 372.421 1.797 0 40 FDAB O=C(c1ccsc1)N1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240937 UGHJLXYBMGMIBX-OAHLLOKOSA-N 364.467 1.476 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2cnccn2)CC1 85471874 QVYZRQBELXDZKK-UHFFFAOYSA-N 354.366 1.455 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCO[C@@H](CCc2ccncn2)C1 257200138 ACDUJUQAOIIAEQ-HNNXBMFYSA-N 351.403 1.638 0 40 FDAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2cccnc2N1 253597046 ZJKMGFUADCBVHZ-NIJZUDBWSA-N 372.469 1.912 0 40 FDAB Cc1n[nH]cc1-c1cncc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257266417 MCXONTXLBPIXGK-LBPRGKRZSA-N 350.448 1.161 0 40 FDAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Nc2cncc(C)c2)cn1 1775958865 MNEPRPIJGXHMOU-HNNXBMFYSA-N 363.443 1.610 0 40 FDAB CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 38622111 KYBHURZCCOIFKJ-WOCWXWTJSA-N 372.373 1.801 0 40 FDAB CC(C)OCc1nc([C@H](C)NC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)no1 626764492 RCPUTSXRCAQHCZ-WOPDTQHZSA-N 354.407 1.808 0 40 FDAB O=C(O)[C@@H](C1CC1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 635015926 IKTJPZKNKRUMGQ-RTBURBONSA-N 371.481 1.658 0 40 FDAB N[C@@H]1CN(C(=O)c2cncc(N3CCCC3=O)c2)C[C@H]1c1ccccc1F 638348470 LWOFICUVXXJCBI-FUHWJXTLSA-N 368.412 1.914 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 643805914 UOTHABJJXABGDJ-FQEVSTJZSA-N 359.470 1.515 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 655593918 XCISIDHZRVETDZ-UHFFFAOYSA-N 373.818 1.752 0 40 FDAB CN1C(=O)N[C@](C)(c2ccc(NC3CCN([C@@H]4CCOC4)CC3)cc2)C1=O 585091323 KHVSCBJVMVRQPP-YLJYHZDGSA-N 372.469 1.749 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(C(=O)c1occc1C)CC2 585098205 RZNFLTNZUATPDE-ZDUSSCGKSA-N 360.414 1.307 0 40 FDAB O=C(NCCn1cc(Br)cn1)N[C@H]1CCN(C2CCC2)C1=O 685939061 BXMGIFOUYOZKJS-LBPRGKRZSA-N 370.251 1.098 0 40 FDAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 19767005 PCEHQSCQIZXZSN-CQSZACIVSA-N 367.475 1.011 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1 5885792 YEASDEHBBRNBPD-UHFFFAOYSA-N 352.343 1.269 0 40 FDAB Cc1nc2c(c(N3CCN(CCO)CC3)n1)CN(Cc1ccccc1)CC2 12183356 LAZNIZOSGUORJE-UHFFFAOYSA-N 367.497 1.458 0 40 FDAB C[C@H](C(=O)NCCCN1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13673516 GYCJMOUZGBWARV-MRXNPFEDSA-N 367.515 1.833 0 40 FDAB C[C@@H](C(=O)NCCCN(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13675580 HWQHKFSIZACQRZ-LBPRGKRZSA-N 361.895 1.562 0 40 FDAB C[C@@H](CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)n1cccn1 19455136 NXHGDNINDBSVSL-AWEZNQCLSA-N 354.458 1.676 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C 19577722 UNEQCWOUQAIUAA-MGPUTAFESA-N 374.485 1.807 0 40 FDAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O 19716145 IGJRSXAGTUARCY-HNNXBMFYSA-N 357.389 1.879 0 40 FDAB CCC[C@@H](N[C@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 3831301 IPVQLZZIHOAWMC-OXGONZEZSA-N 368.474 1.941 0 40 FDAB COC1CCN(c2ccc(C(=O)N3CC[C@@H](n4ccnn4)C3)cc2)CC1 253403683 QJJFIXMGVJYJPZ-QGZVFWFLSA-N 355.442 1.981 0 40 FDAB Cc1ccc(Cn2ncc([C@@](O)(c3nccn3C)C(F)(F)F)c2N)o1 8725312 FSYXUHRWNFDIPN-CQSZACIVSA-N 355.320 1.947 0 40 FDAB CC(C)S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888873134 ZXNRQYLRORQLDP-LBPRGKRZSA-N 365.459 1.441 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4ncn(C)c34)CC2)c1C 1888876148 PCMLMFDEEDNGDV-UHFFFAOYSA-N 364.457 1.974 0 40 FDAB O=C(C1CCOCC1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978156 DVDMFBJHPOQMNN-AEFFLSMTSA-N 358.438 1.694 0 40 FDAB O=C1CC2(CCN(C(=O)C3CCOCC3)CC2)Nc2ccccc2CCN1 2037989217 ZRPSNJFVMSBKIP-UHFFFAOYSA-N 371.481 1.949 0 40 FDAB CCC(CC)NC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1cc(C)[nH]n1)CCO2 2056225652 WVUQDDLBZUZESP-AEFFLSMTSA-N 350.463 1.383 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)n[nH]1 1565553825 KQLXUBXWZOJKHM-UHFFFAOYSA-N 368.441 1.925 0 40 FDAB CCn1cc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)cn1 2055747163 MEJMTLGQZZDLIV-UHFFFAOYSA-N 359.478 1.171 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2cncc(-c3ccco3)c2)CC1 575619486 UFJBIODUHGZCKR-UHFFFAOYSA-N 363.439 1.629 0 40 FDAB Cc1nnc2c(N3CCC(Oc4ccn5nccc5n4)CC3)nccn12 2298230536 QSBLXTXWQVKFAT-UHFFFAOYSA-N 350.386 1.523 0 40 FDAB CC(=O)Nc1ccc(CC(=O)NCc2cccnc2-n2cncn2)cc1 40108966 XGUPYYSROLNYNI-UHFFFAOYSA-N 350.382 1.480 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)s1 29525641 WBGPLJZFVVZWHM-UHFFFAOYSA-N 366.468 1.061 0 40 FDAB CNC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 8513869 LRWKFPYWHWWPBA-INIZCTEOSA-N 366.373 1.183 0 40 FDAB Cc1ccc2nc(SCC(=O)NCc3ccc(F)cc3)nc(=O)n2c1 4503644 KGHIXQLRJUDGDC-UHFFFAOYSA-N 358.398 1.946 0 40 FDAB NC(=O)c1cccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)c1 41220543 PGWHTHBXOPUVCQ-UHFFFAOYSA-N 351.406 1.962 0 40 FDAB NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 91810834 LTBPMWPZVOAXIM-KRWDZBQOSA-N 350.378 1.352 0 40 FDAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8423810 VOEPLQDHYUTVFB-UHFFFAOYSA-N 372.859 1.338 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)cc1 23249058 ALDVMVSIGICYRR-SFHVURJKSA-N 372.513 1.810 0 40 FDAB CC(C)NC(=O)CNC(=O)Cn1c(SC(F)F)nc2ccccc21 23926659 WIEBJRIWYZEJQR-UHFFFAOYSA-N 356.398 1.992 0 40 FDAB COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@H](C)C2)c(C)c1 55219265 RZINSIGUCWGATE-GASCZTMLSA-N 356.488 1.781 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118915310 FFPUNPBUZDTHJI-QLMIKOTFSA-N 368.514 1.445 0 40 FDAB in-vitro O=C(NC1CCN(c2cn[nH]c(=O)c2Cl)CC1)c1ccc(F)cc1 26714306 WHROFNUJODABDW-UHFFFAOYSA-N 350.781 1.961 0 40 FDAB CCc1ncc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737862 ASEZGHUHHIRADS-IRXDYDNUSA-N 369.469 1.462 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ncccc3O)CC2)nc1 58183748 QWFZLDGVSNIWHB-UHFFFAOYSA-N 356.382 1.321 0 40 FDAB O=C(Cc1csc(Cc2ccccc2)n1)NC[C@H]1CCS(=O)(=O)C1 48151927 JPPNODYAGSLIFV-CQSZACIVSA-N 364.492 1.827 0 40 FDAB CN1C(=O)N(CN2CCCCC2)[C@H]2[C@@H]1N(CN1CCCCC1)C(=O)N2C 2294728 JYSKIOGSQXTMEV-HOTGVXAUSA-N 364.494 1.260 0 40 FDAB O=C(CN1CCN(C(=O)c2cc3ccccc3o2)CC1)N1CCOCC1 36389672 GBQXZBWRLSXSLL-UHFFFAOYSA-N 357.410 1.049 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnn(OC/C=C/c3ccccc3)c2c1 12756961 ULCNXSYHSWEMFP-RMKNXTFCSA-N 358.423 1.824 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1nc(C2CC2)no1 48365418 KPWPTENMQDFLCF-UHFFFAOYSA-N 368.390 1.071 0 40 FDAB CN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1cccc(F)c1 3541850 SZJWIAJIFSTPNC-UHFFFAOYSA-N 372.400 1.722 0 40 FDAB COCCNC(=O)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1 12922447 RWMPCNCMDUNPNH-UHFFFAOYSA-N 361.423 1.493 0 40 FDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20292280 ZXEVHMFOQOZVIP-SDNWHVSQSA-N 364.833 1.738 0 40 FDAB Cc1c(NS(=O)(=O)c2ccc(N)c(N)c2)c(=O)n(-c2ccccc2)n1C 3885519 FBIVHNGOSFMCPF-UHFFFAOYSA-N 373.438 1.450 0 40 FDAB CC(C)OCCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 4045837 UYNMNIDJBGHXSF-MAUKXSAKSA-N 360.410 1.778 0 40 FDAB biogenic CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)CC1 20634620 UGWQLTCXJABCFV-MRXNPFEDSA-N 374.437 1.911 0 40 FDAB CCNC(=O)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112375 ZEZLOAUSQKEFQT-UHFFFAOYSA-N 353.176 1.005 0 40 FDAB COC(=O)CNC(=O)COC(=O)c1c(NC(=O)C2CC2)sc(C)c1C 8939431 APQWROWLGKIVAQ-UHFFFAOYSA-N 368.411 1.159 0 40 FDAB O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1cc(Br)ccc1O 14160669 ZFGZVDKVPWQDQT-UHFFFAOYSA-N 362.139 1.311 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 8936430 FCMXVKUGBUWFPU-UHFFFAOYSA-N 362.407 1.395 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)n1c(=O)[nH]c2ccccc2c1=O 8994296 JZQBQGPTLXUSGZ-LBPRGKRZSA-N 352.394 1.956 0 40 FDAB COC(=O)C1=NO[C@@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 4783855 IAJFZNABPJEIJR-CQSZACIVSA-N 356.256 1.657 0 40 FDAB CC(C)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCC(=O)N2)cc1 6760181 VUEXDJJFWROYAE-CABCVRRESA-N 361.467 1.929 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71288484 OMMBCPHGGGQIFV-STQMWFEESA-N 370.427 1.241 0 40 FDAB Cc1c(C(=O)N2CCCC[C@@H]2C(N)=O)nnn1-c1ccc(OC(C)C)cc1 66927357 ZCNISKWPQPDFOA-MRXNPFEDSA-N 371.441 1.843 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1 15324798 SZQTWRNNQUKEGN-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB COc1cccc(CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 7137856 ZHDZGXRXNYZMSN-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCCC1 15594020 GZOFHTHNFAFUJE-UHFFFAOYSA-N 369.487 1.452 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(C=O)cc1 7897673 RWZBEMZTEGTDNM-KRWDZBQOSA-N 369.373 1.556 0 40 FDAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1N 8140344 HJZYIEUZNZXCBY-SSDOTTSWSA-N 363.369 1.907 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)c1cccs1)C2=O 9607349 QBBBIHSVQNLJNR-UHFFFAOYSA-N 364.427 1.010 0 40 FDAB CC(=O)NCCCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 9691376 XGWATWGOKNTVAI-UHFFFAOYSA-N 371.437 1.803 0 40 FDAB CCOC(=O)Cn1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1=O 95436417 WGAJWWISVPYQOA-UHFFFAOYSA-N 366.377 1.849 0 40 FDAB CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 95939404 ZRGXYTSCMBQLTI-LLVKDONJSA-N 356.227 1.504 0 40 FDAB O=C1C[C@@H](C(=O)NC2(C(=O)O)Cc3ccccc3C2)c2ccc(F)cc2N1 95969960 HWRGDDPFMVKUQK-OAHLLOKOSA-N 368.364 1.990 0 40 FDAB COc1cc(N2CC3(C[C@H](COCc4ccccn4)CCN3C)C2)ncn1 306130843 JRBMOTCMVVHDFA-MRXNPFEDSA-N 369.469 1.998 0 40 FDAB CC(C)c1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c2ccccc2n1 32802927 CJGANLAMSBBDLE-OAHLLOKOSA-N 357.454 1.781 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccccn2)C1 521396665 DJLWLRTWKXAMSR-IIAWOOMASA-N 351.472 1.396 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(C[C@@H]2Cc3ccccc3O2)CC1 71279478 DIGCUCQGFAZLBE-BHYGNILZSA-N 358.438 1.491 0 40 FDAB O=C(O)C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccc(F)cc1F 1526739119 DDHOFNZASXNKLF-DCPBINMLSA-N 355.337 1.648 0 40 FDAB NCC1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218156244 PLNOAWJXJULBTK-DLBZAZTESA-N 360.435 1.259 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395594 HXIXQIIYFJWBGN-FRRDWIJNSA-N 373.379 1.841 0 40 FDAB O=C1C[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CN1 560323523 XFSJNHHRKPPZGP-HZMBPMFUSA-N 356.382 1.093 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1 45958596 FIIWWWAKJLGSMR-SNVBAGLBSA-N 358.316 1.980 0 40 FDAB CC1(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 571857351 JBCYTLKVQIQNEM-UHFFFAOYSA-N 366.483 1.655 0 40 FDAB CCc1nn2c(nnc3c(=O)n(CCO)ccc32)c1-c1ccc(F)cc1 40391608 AARZWZXTWQVYSZ-UHFFFAOYSA-N 353.357 1.800 0 40 FDAB Cc1nc(C)c(CNC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)s1 333254451 KXWFCFUCRKAHTM-CYBMUJFWSA-N 371.470 2.199 0 40 FDAB COc1ccc(O)cc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 332119673 KYWNSMIAJHOFGP-UHFFFAOYSA-N 361.486 1.891 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCC1CCOCC1)C=C2 96114192 KCFJBHINQRPNKL-UHFFFAOYSA-N 374.437 1.602 0 40 FDAB biogenic Cc1cc(CN2Cc3ccnn3[C@@H](C(=O)NCC3CCOCC3)C2)no1 247943873 VTIBOQPKZWLAHB-QGZVFWFLSA-N 359.430 1.279 0 40 FDAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H]1CCCO1 245225240 QCUOVCIRUIXJKC-UKRRQHHQSA-N 369.487 1.375 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1CN(Cc2ccoc2)Cc2ccnn21 247491913 MTPDRLBKTVKKHW-GOSISDBHSA-N 351.410 1.787 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 247822287 DLQGSTLMIGWHNX-QGZVFWFLSA-N 371.441 1.788 0 40 FDAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1S(=O)(=O)c1cn(C)cn1 585138635 UUTNPMFRFVZYMT-GFCCVEGCSA-N 354.863 1.973 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 247832943 MFVCLEAAAPDCJE-HNNXBMFYSA-N 356.426 1.917 0 40 FDAB C[C@@H](C(=O)NCCCn1cccn1)n1cc(COc2ccccc2)nn1 257173209 GTFUMOPNBWTODC-HNNXBMFYSA-N 354.414 1.821 0 40 FDAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccnc(Cc3ccccc3)c2)CCO1 257314800 UYMDREGURXECDY-OAQYLSRUSA-N 367.449 1.992 0 40 FDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCN3CCc4ccccc43)CC[C@@H]21 257280140 OJQKJMMFYJURQE-ROUUACIJSA-N 357.454 1.287 0 40 FDAB CC(C)n1nccc1CN1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257235097 GWKSTQCPFIOCCO-ZDUSSCGKSA-N 351.476 1.970 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)CCCn2nc(C)cc2C)CCO1 257251100 JPJYJTLCEITBTD-HNNXBMFYSA-N 358.446 1.712 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2coc(C)n2)CCN1CCc1ccccc1 257270037 MSNPYPIKEQLHDL-KRWDZBQOSA-N 356.426 1.098 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCC2=CCCCC2)Oc2ccccc21 260850816 RJEUXTSPSWQUDB-MRXNPFEDSA-N 350.440 1.830 0 40 FDAB Cc1cc2c(N3CC(NC(=O)c4cccc(CN(C)C)c4)C3)nccn2n1 1648845424 QPXHTZOQBWGNMX-UHFFFAOYSA-N 364.453 1.718 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 629895865 XRYZGTRMWPDYGL-HZPDHXFCSA-N 365.499 1.301 0 40 FDAB C[C@@H]1CN(C(=O)NCc2ccc(C[S@@](C)=O)cc2)CC[C@H]1C(=O)O 599863236 AREPDQCTBGWAQW-MHGHZUBYSA-N 352.456 1.817 0 40 FDAB CCN1C(=O)C[C@@H](CNC(=O)c2cc(C(C)C)[nH]n2)[C@@H]1c1nccn1C 1775958984 VAUGJVBLHGLGPM-BLLLJJGKSA-N 358.446 1.606 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(C)cc2cccnc12 643972259 MRRCTXWUXNTNSV-KRWDZBQOSA-N 364.423 1.798 0 40 FDAB CO[C@@H](CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O)C1CCCC1 585097988 FPHAXSWYOVYNJH-KXBFYZLASA-N 359.426 1.758 0 40 FDAB CCOc1c(Cl)cc(C(=O)N(C)CC(=O)NCCCOC)cc1OC 54538387 DSPGSWLNVHFQCV-UHFFFAOYSA-N 372.849 1.972 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2sccc2-n2cnnn2)[C@@H]1C 58763761 BPJVWQUSLTUVDH-IJLUTSLNSA-N 363.443 1.822 0 40 FDAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCCn1ccnc1)CS2 85473853 DFEIIKYCJNNYIM-CYBMUJFWSA-N 361.471 1.239 0 40 FDAB COC(=O)Cc1cc(O)nc(S[C@H](C)C(=O)NCc2ccccc2)n1 5117663 IXPJFCWYRMYPOH-LLVKDONJSA-N 361.423 1.695 0 40 FDAB COCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12009574 TYKJRXGBKIXHHG-UHFFFAOYSA-N 355.354 1.289 0 40 FDAB COCC(=O)N(C[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146113 VRQCYFWFJKQAGZ-LLVKDONJSA-N 362.455 1.801 0 40 FDAB O=C(CN1Cc2ccccc2C1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19375536 WGZFAJDAJKLDQE-LJQANCHMSA-N 363.465 1.802 0 40 FDAB COc1ccccc1-c1noc(C)c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 19579671 WTDYSRKGCUZMQY-KRWDZBQOSA-N 364.423 1.966 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3ccccc3CN3CCCC3)CC2)C1=O 19662396 BIFHQUDHKVQTGC-UHFFFAOYSA-N 370.453 1.439 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc2nsnc2c1 19748930 ABJVPYQIUVFAMG-LBPRGKRZSA-N 368.484 1.625 0 40 FDAB CCOC(=O)/C=C/C(=O)OCc1nc(-c2ccc(OC)c(OC)c2)no1 8449229 KMSROAJXMMPPDJ-BQYQJAHWSA-N 362.338 1.916 0 40 FDAB CCOC(=O)CN1CCC(OC)(c2nc(C3CCOCC3)no2)CC1 513834206 QEBCZYPPMYUSSE-UHFFFAOYSA-N 353.419 1.464 0 40 FDAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)CN2C(=O)CCC2=O)C1 1848824144 ONXWUZWRFNIVIK-UHFFFAOYSA-N 368.437 1.866 0 40 FDAB Cc1c(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cnn1C 2037978490 YWYBMIPNOXJWSF-FQEVSTJZSA-N 368.437 1.624 0 40 FDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 2457036 KXSDBCXAIFEGOH-UHFFFAOYSA-N 350.400 1.805 0 40 FDAB O=C1C[C@H](c2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2)CN1 4727370 MOSFALXGEKQAPR-AWEZNQCLSA-N 358.419 1.878 0 40 FDAB O=C(NCCc1cn2c(n1)SCC2)C(=O)Nc1ccc2c(c1)OCCO2 5345062 ATTGYCBHENLEKR-UHFFFAOYSA-N 374.422 1.057 0 40 FDAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccncc2)c3=O)cc1 12233832 ONVVMAUPKBZYTP-UHFFFAOYSA-N 362.393 1.423 0 40 FDAB COc1ccc(-c2noc(CSc3nc(C)c(CCO)c(=O)[nH]3)n2)cc1 12415010 GCUQQXQRPDTDLQ-UHFFFAOYSA-N 374.422 1.964 0 40 FDAB O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 206978451 WCGVRYZADOZZSH-SSDOTTSWSA-N 366.873 1.860 0 40 FDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccncc4)CC3)nc2)no1 44094345 SGOHWPUBHKRZKW-UHFFFAOYSA-N 350.382 1.797 0 40 FDAB CN(C)C(=O)N1CCC(CNS(=O)(=O)Cc2ccc(F)cc2)CC1 390828602 BKEGQZAJLFNFDR-UHFFFAOYSA-N 357.451 1.639 0 40 FDAB CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cn1 30558807 NBOZWIKESOKSKR-UHFFFAOYSA-N 350.400 1.434 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548833 KAEWUPPTNDRMNN-ZKNHNOBHSA-N 355.438 1.863 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 11904382 XRCQGINJFBTJAA-UHFFFAOYSA-N 372.468 1.174 0 40 FDAB COC(=O)c1cc(-c2ccncc2)nc2c1c(=O)n(C)c(=O)n2CC(C)C 32751234 CPJJYKOPCKYCPH-UHFFFAOYSA-N 368.393 1.600 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3432459 GEOQYVVYTGKDQB-CQSZACIVSA-N 364.423 1.667 0 40 FDAB COC[C@H](C)n1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2725853 IUIPQRBJSFQQAX-UWVGGRQHSA-N 364.427 1.279 0 40 FDAB CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(=O)O)c2n1 4898915 WTAKWVADHPJMJG-UHFFFAOYSA-N 373.438 1.991 0 40 FDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6204799 NUXYCWXCGBELMA-NEPJUHHUSA-N 358.460 1.675 0 40 FDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7686109 VZVJZPNPRMJLPE-CQSZACIVSA-N 372.443 1.520 0 40 FDAB COc1ccc(N([C@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1 803328 MKVORWAWCUZZJI-GFCCVEGCSA-N 352.412 1.759 0 40 FDAB CNC(=S)NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 1100159 KYJSKYQYPJONDH-UHFFFAOYSA-N 350.496 1.273 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)CC1 12550259 RAJVQDYDXGZMMA-UHFFFAOYSA-N 360.439 1.270 0 40 FDAB COc1cc(F)c(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1OC 26532869 XIYMUNWNSCZEAB-UHFFFAOYSA-N 368.386 1.767 0 40 FDAB O=C(NCCN1CCc2ccccc21)[C@@H]1CCCN(c2ncccn2)C1 58171486 HMOAYYRJEGLFGK-QGZVFWFLSA-N 351.454 1.872 0 40 FDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cccnc1 45330920 UFPVCBRPCMIOOT-UHFFFAOYSA-N 368.393 1.998 0 40 FDAB C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(S(C)(=O)=O)cc1 10966589 UZUUANOZVPGPNJ-GFCCVEGCSA-N 364.423 1.680 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 45542119 DXURNHCYKIQDSE-UHFFFAOYSA-N 359.451 1.863 0 40 FDAB CN(C)Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 12890509 KQSTZRFPHJVZOH-UHFFFAOYSA-N 354.454 1.910 0 40 FDAB CC(=O)N[C@@H](C(=O)OCc1cc(=O)n2cc(C)ccc2n1)C1CCCC1 12837604 HHLRHDMMDQCTFS-GOSISDBHSA-N 357.410 1.741 0 40 FDAB CCN1CCc2c(cccc2-n2nnc(C(=O)N3CCOC[C@@H]3C)c2C)C1 69653096 PVXWXEXFBBQJPP-AWEZNQCLSA-N 369.469 1.815 0 40 FDAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC1CC1 3536775 SIOOFJXLZVKOSJ-ZDUSSCGKSA-N 359.451 1.946 0 40 FDAB O=C(CN1CCC(Nc2ccc3nnnn3n2)CC1)Nc1ccccc1 12919625 XGYNHYSDMIELKP-UHFFFAOYSA-N 352.402 1.034 0 40 FDAB Cc1cc(C)cc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 13040068 MWSSTPVLGVXIFF-UHFFFAOYSA-N 369.425 1.469 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 13183388 FVJLAWVZWGGFEV-HNNXBMFYSA-N 360.391 1.676 0 40 FDAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(N)=O)c1 63994159 TWVSEHDPDJZMKL-GUYCJALGSA-N 353.422 1.918 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 4270531 KRBCHOPTHUGVJR-UHFFFAOYSA-N 355.393 1.620 0 40 FDAB CCCn1nc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1=O 39995628 BHYNOVITOKUZJA-UHFFFAOYSA-N 354.410 1.710 0 40 FDAB NC(=O)C1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 4574632 PKBBYCQJBVAKAY-LGMDPLHJSA-N 367.405 1.774 0 40 FDAB CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 4948856 XHHLOLYYIZJTEM-INIZCTEOSA-N 362.451 1.666 0 40 FDAB COc1cc(C(=O)Oc2ccccc2P(=O)(O)O)cc(OC)c1OC 9303641 MVSNKFLOTWDKAY-UHFFFAOYSA-N 368.278 1.735 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)CCc1c(C)noc1C)c1ccccc1 7147860 JVIOKZLVUGUSPO-INIZCTEOSA-N 359.382 1.964 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1NC(=O)c2ccccc2N1 9157345 HRUXVQQZKOCPTM-MLGOLLRUSA-N 360.439 1.714 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)C1CCC1 7813617 YVPGXUQNVUDPSH-LBPRGKRZSA-N 368.455 1.916 0 40 FDAB COC(=O)c1ccc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 9482170 WEJBYIZZABYBDU-UHFFFAOYSA-N 352.346 1.964 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(S(N)(=O)=O)c2)no1 9499268 XGPHDJULQOUSJY-JTQLQIEISA-N 367.383 1.123 0 40 FDAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)NCc3ccco3)c(=O)n12 67226649 XFTZZLHRQAFRAN-UHFFFAOYSA-N 363.377 1.776 0 40 FDAB O=C(Cc1ccc2c(c1)OCCCO2)NCCc1nnc2ccccn12 95479496 QIEGCWCPLPJYEE-UHFFFAOYSA-N 352.394 1.792 0 40 FDAB Cc1occc1C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961331 FPWGQFNXUXIPRV-QGZVFWFLSA-N 371.441 1.275 0 40 FDAB CCCCN1CC(=O)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773648 HKWJJQYZGACMMF-DLBZAZTESA-N 350.484 1.863 0 40 FDAB Cn1cc(-c2cnc3c(N4CCN(C(=O)C5CC5)CC4)nccn23)cn1 306126816 FGBICWDYFVUUIQ-UHFFFAOYSA-N 351.414 1.188 0 40 FDAB NC(=O)C(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12 408571529 OVGSMZUMHYAKBB-UHFFFAOYSA-N 353.353 1.765 0 40 FDAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccc(Cl)cc2)N1CCO 35385031 ASYXQBYECQUGTH-DOTOQJQBSA-N 367.854 1.981 0 40 FDAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cnn(C)c2)c1O 1547208804 RDMQJEWHCQGRTR-CQSZACIVSA-N 363.414 1.327 0 40 FDAB O=C1CCc2cc(C(=O)COC(=O)c3cn4cccnc4n3)ccc2N1 36391460 ZDVHVHCLKFLEQQ-UHFFFAOYSA-N 350.334 1.654 0 40 FDAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N[C@H]1CSC[C@@H]1O 36635281 LRSBSEDSEOGQGJ-SRVKXCTJSA-N 352.437 1.238 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccccc1Cl 225792402 AQYSHHMZQKFTON-UHFFFAOYSA-N 367.858 1.813 0 40 FDAB O=C(O)C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1 569481979 XCSYVJXVMPUMGF-BXKDBHETSA-N 351.783 1.703 0 40 FDAB CC(C)[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225222959 YHOAGFOBUXOCPE-AWEZNQCLSA-N 354.472 1.623 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)s1 225180305 JGNZHZSDOGUWOF-UHFFFAOYSA-N 370.456 1.471 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H]1CCCO1 40040827 HWDLQSMPVHGYSB-JTQLQIEISA-N 357.336 1.598 0 40 FDAB COc1ccc(CN2CC[C@H]3O[C@H](C(=O)N4CCN(C)CC4)CC[C@H]32)cc1 96057346 XYPIIAQLCSYJPP-AQNXPRMDSA-N 373.497 1.591 0 40 FDAB CN(Cc1ccco1)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@@H]2CCCO[C@@H]21 96057157 WJFHKRUZXUQLFJ-XKQJLSEDSA-N 354.472 1.683 0 40 FDAB Cn1ccnc1CN1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2 96240198 KRIJQGHRMJBRNN-KRWDZBQOSA-N 362.455 1.116 0 40 FDAB Cn1cc(N2C[C@@]3(COCCN(Cc4ccsc4)C3)OCC2=O)cn1 96051423 PAVDRYZBEPIQIU-KRWDZBQOSA-N 362.455 1.116 0 40 FDAB CC(C)C[C@H](O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 95093216 NEIDLJIPMZVISC-RDJZCZTQSA-N 356.426 1.298 0 40 FDAB COc1cc(N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)ncn1 247869238 CGHHMLNZYHERBD-CQSZACIVSA-N 351.472 1.993 0 40 FDAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N[C@@H]1CSC[C@H]1O 245229043 LRSBSEDSEOGQGJ-UTUOFQBUSA-N 352.437 1.238 0 40 FDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc3c(c2)OCO3)n1 604382656 XMKPZSPCNLVEJE-BRSBDYLESA-N 371.437 1.204 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1 253489430 FFIHIOQZQFSLPF-CQSZACIVSA-N 352.460 1.438 0 40 FDAB Cc1noc(C)c1CCC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257218684 DECVTKFIYBQGER-GOSISDBHSA-N 359.430 1.162 0 40 FDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 257274903 NNDSBNHQESKTFA-YRXWBPOGSA-N 362.470 1.165 0 40 FDAB Cc1cc(-c2cc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)nc(C)n2)[nH]n1 257207389 BHNFFLNLNADPMR-CYBMUJFWSA-N 364.475 1.469 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cn3c(C)nc4ccccc43)CCO2)n1 257319108 VQUJOBIJXARVGY-KRWDZBQOSA-N 353.426 1.987 0 40 FDAB C[C@@]1(O)CCN(Cc2ccc(F)cn2)C[C@H]1n1cnc2c(N)ncnc21 257249011 JGIGNTLLLZGBCS-CXAGYDPISA-N 357.393 1.141 0 40 FDAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccnc2)n1 604382261 MDYUMDJMTSNYDM-NCXUSEDFSA-N 356.470 1.685 0 40 FDAB biogenic,in-vitro Cn1ccnc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1=O 266470917 ZUPNWFSDZFBKRN-UHFFFAOYSA-N 358.833 1.404 0 40 FDAB Cn1cc(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)nc1=O 616075002 IVTYEBGPFDMDGQ-HNNXBMFYSA-N 372.208 1.430 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2csc(C)n2)C1 623585415 ONMJHLHZQPPCGJ-CMPLNLGQSA-N 360.505 1.483 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)COCc2cccc(Cl)c2)C1 644031565 CBEIIMYFFWKSOF-KRWDZBQOSA-N 354.834 1.346 0 40 FDAB Cc1cccc(N2CCC(O)(CN(C)[C@]3(C)CCS(=O)(=O)C3)CC2)c1 585283381 NWZKYHKYXILKDP-GOSISDBHSA-N 366.527 1.835 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)C3CC(O)C3)C[C@H]1CN(C(C)C)C2 585108074 OXBWTTIWWKOJSQ-WIUGKXBGSA-N 352.475 1.269 0 40 FDAB O=C(CCN1CCOCC1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585272359 NKQCOXIRIBMILF-ROUUACIJSA-N 350.434 1.442 0 40 FDAB O=C(c1ccnc(F)c1)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 585101536 KXLVRWGYMAAHJT-UHFFFAOYSA-N 374.460 1.914 0 40 FDAB O[C@@H]1CN(CC2(O)CCOCC2)C[C@]12C[C@H](c1cccc(F)c1)CO2 1615153359 WZISLBNGWCNGFE-KVSKMBFKSA-N 351.418 1.286 0 40 FDAB COc1cc(/C=C(\C#N)C(=O)NC(N)=O)cc(Br)c1OC 8109853 YUUCVEQQZNWMEW-FPYGCLRLSA-N 354.160 1.568 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@@H]3CCCO3)c3ncccc23)C1 19016486 KBUMDCCTRKVUCH-ZBFHGGJFSA-N 371.441 1.062 0 40 FDAB C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCCC1=O 19078479 WGFKMBXDERKSHB-GJZGRUSLSA-N 371.485 1.181 0 40 FDAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3C(=O)c3ccccc3C)c2[nH]1 19236784 QZUWZISPATWLTE-CYBMUJFWSA-N 352.398 1.436 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cn1 19238894 DFQHXTYKXHXJRB-INIZCTEOSA-N 362.393 1.908 0 40 FDAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2nccnc21 19289402 GKFFTLSMRQDZEF-CYBMUJFWSA-N 357.439 1.932 0 40 FDAB O=S(=O)(N1CCCCC1)N1CCN(C[C@H](O)c2cccs2)CC1 19342974 GIXUZLWSHJEHIA-AWEZNQCLSA-N 359.517 1.130 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1 19584027 BKJFONJWHMMYHL-UHFFFAOYSA-N 350.444 1.362 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@H]2CCCCN2)n1 19709938 WVQHGZYWJSOQFN-CQSZACIVSA-N 370.523 1.351 0 40 FDAB CC(C)N(C(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C)C(C)C 4942246 IIFYIMVKACQGIV-UHFFFAOYSA-N 364.471 1.370 0 40 FDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)[C@@H]1COc2ccccc2O1 1888859515 IYOVNPBITYRYLN-LBPRGKRZSA-N 369.299 1.218 0 40 FDAB COCCn1cnc2c(N3CCN(Cc4csc(C)n4)CC3)ncnc21 1888899249 XYWDAIMEJHNKMH-UHFFFAOYSA-N 373.486 1.560 0 40 FDAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNS(C)(=O)=O 32626075 LXQPRHWYOGHJPF-QMMMGPOBSA-N 355.243 1.426 0 40 FDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)cc1C(F)(F)F 33048011 NKWHMROBQSGMCP-UHFFFAOYSA-N 372.796 1.969 0 40 FDAB Cc1cc(N2CC[C@@H]3CN(C(=O)C4=CC=NC(=O)C4)C[C@@H]3CC2)ccn1 2056224072 CCEDPDHNMZQLQQ-CALCHBBNSA-N 352.438 1.992 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccnn4C)C3)C2)c1 2056224496 KOSFOSJJMOLJMA-LJQANCHMSA-N 356.474 1.672 0 40 FDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccc(=O)n1C)C2 1565548162 YSYXVADVAUHWPH-UHFFFAOYSA-N 355.442 1.261 0 40 FDAB COCc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)cc1 1565555514 JGZNCNITEULPBV-UXHICEINSA-N 367.449 1.953 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565547924 TWAAMYFJZCTAAF-TXPKVOOTSA-N 357.385 1.996 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708566 YYZWIMANMWYQSH-UHFFFAOYSA-N 350.378 1.172 0 40 FDAB Cc1ccc(OCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250883 RQCIYEHEDIHYCI-UHFFFAOYSA-N 355.398 1.806 0 40 FDAB Cc1cc(N(C)C2CN(c3ccc4nnc(-c5cccnc5)n4n3)C2)ncn1 1775971737 UHTIKXWFNDSMGU-UHFFFAOYSA-N 373.424 1.610 0 40 FDAB COc1ccc(CC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 23127808 HKIJBYFXWAVJSE-IBGZPJMESA-N 368.433 1.954 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 575413775 LJGNKSFAMZMXIV-AWEZNQCLSA-N 367.398 1.917 0 40 FDAB COc1ccc(-n2nnc(-c3nc(-c4cccnc4)no3)c2N)cc1OC 4316711 RTSKVQRZPWAXIL-UHFFFAOYSA-N 365.353 1.979 0 40 FDAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O 5190259 HHPLRWGSXIVKCT-UHFFFAOYSA-N 362.338 1.122 0 40 FDAB C[C@H]1Cc2nc(SCC(N)=O)n(-c3ccc(F)cc3)c(=O)c2S1 6795805 DKAHHVQXBXXAID-QMMMGPOBSA-N 351.428 1.986 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCCOc1ccccc1C 10453343 SDKNNFDOIAJHIF-UHFFFAOYSA-N 365.407 1.887 0 40 FDAB CSCc1ccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 40153294 KFVBUOWGLMZCPC-STQMWFEESA-N 362.517 1.671 0 40 FDAB C[C@@H](NC(=O)c1ccc(-n2c(=O)n(C)c(=O)n2C)cc1)c1ccc(F)cc1 40146547 KQTGKXQSGABUDG-GFCCVEGCSA-N 370.384 1.505 0 40 FDAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)O)cs2)cc1OC 20731191 VVJYIGRLMVZACC-VIFPVBQESA-N 350.396 1.959 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 101659718 CGQSRUHKPFAXCF-KSSFIOAISA-N 365.433 1.958 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 21064662 CSBYRSZKYOLFDC-HOTGVXAUSA-N 371.485 1.944 0 40 FDAB Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC4)ncn3n2)cc1C 21026106 MAIMNWLDXQQCQB-UHFFFAOYSA-N 351.410 1.797 0 40 FDAB C[C@H]1C(=O)N(CC(=O)NC[C@@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 21269585 SOAKFBUCUXZIAB-FZMZJTMJSA-N 365.817 1.792 0 40 FDAB Cc1cc(NC(=O)CCS(=O)(=O)Cc2noc(C(C)(C)C)n2)no1 46164224 FEWYPIHXXNWQDL-UHFFFAOYSA-N 356.404 1.607 0 40 FDAB CC(=O)[C@@H]1C(=O)N=C(Nc2nc3ccccc3s2)NC(=O)[C@H]1C(C)=O 912719 UKVWGEBKUURLMY-RYUDHWBXSA-N 358.379 1.131 0 40 FDAB Cc1cc2c(cc1NS(C)(=O)=O)c(C(=O)O)c(C)n2S(C)(=O)=O 4945003 LAMZYVGTVGHECV-UHFFFAOYSA-N 360.413 1.136 0 40 FDAB O=C(CCCn1c(=O)oc2ccccc21)NCc1nnc2ccccn12 7898729 HNUBMYMVIUEFCL-UHFFFAOYSA-N 351.366 1.734 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 22788043 LPBKLMXLGCDTMF-HNNXBMFYSA-N 362.449 1.393 0 40 FDAB CCNC(=S)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28558783 YMSLMNSZNHVHQX-UHFFFAOYSA-N 359.455 1.417 0 40 FDAB CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 827956 SZIUCSBXBQSBLU-UHFFFAOYSA-N 358.423 1.347 0 40 FDAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350403 SHGZZGXHABIAIS-UHFFFAOYSA-N 359.455 1.988 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2nnnn2-c2ccccc2)no1 71801215 QQOGBDWVUXMHKH-SSINHNECSA-N 360.399 1.235 0 40 FDAB CCOC(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)n(C)n1 12410699 ZQIPLVBXHZDVJX-UHFFFAOYSA-N 358.398 1.686 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(-n2cnnn2)cc1 24773664 FFFDKPGXZHNKKQ-UHFFFAOYSA-N 364.365 1.417 0 40 FDAB COC(=O)CN(Cc1ccccc1)Cc1nnnn1Cc1ccccc1 58181196 GUHHFNFCRPIAFV-UHFFFAOYSA-N 351.410 1.897 0 40 FDAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCC(C(N)=O)CC1)cn2C 22237301 FDNUJRLKQVXKOE-UHFFFAOYSA-N 357.410 1.275 0 40 FDAB O=C(Cc1cccs1)N1CCN(c2nnnn2-c2ccccc2)CC1 24781813 USTAUUFJFXNHDV-UHFFFAOYSA-N 354.439 1.615 0 40 FDAB COc1ccc(CCNC(=O)C(=O)N2CCc3ccccc3C2)cc1OC 170338329 NGNFBGKLYBQIRY-UHFFFAOYSA-N 368.433 1.947 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)c1 27394370 AHMBSUDZUXZVEY-WMLDXEAASA-N 364.442 1.753 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3ccc(F)c(C(=O)O)c3)ccc2N1 12809198 HYGOMXFCRWWBNM-UHFFFAOYSA-N 350.327 1.819 0 40 FDAB Cc1ccc(-n2nnnc2SCC(=O)Nc2sccc2C(N)=O)cc1 3498660 MHKTWKSGBRWZMV-UHFFFAOYSA-N 374.451 1.862 0 40 FDAB Cn1cc(C(=O)NCC2CCN(CCC(=O)OC(C)(C)C)CC2)cn1 71915670 CLNDPHSGHHVBPB-UHFFFAOYSA-N 350.463 1.594 0 40 FDAB CCN(Cn1nc(-c2ccco2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 14161862 BNYRVNWPWCPWEY-NSHDSACASA-N 356.473 1.678 0 40 FDAB Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1 7405157 BLWHVXLULDQTEK-UHFFFAOYSA-N 354.453 1.784 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 7654593 HTDGDWLZUHJBIO-UHFFFAOYSA-N 353.429 1.838 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)CSCc2cc(=O)n(C)c(=O)n2C)[C@@H]1C 95947988 BWAMBOWAAYNGFE-BZPMIXESSA-N 353.488 1.258 0 40 FDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccco1 95969490 OWPWXFFUAZHGAJ-CVEARBPZSA-N 370.405 1.944 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)OCc2ccc(-n3cccn3)cc2)CC1 9987236 UDMFMBPYEXQUNB-UHFFFAOYSA-N 363.439 1.587 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(N2CCCCC2)nc1 89794278 XRGUBAZUBYWCDI-HZPDHXFCSA-N 368.437 1.962 0 40 FDAB O=C(Nc1ccccc1)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 306143067 XSLSHGZWECNURH-IBGZPJMESA-N 367.409 1.626 0 40 FDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)CCc1nc[nH]n1 548363353 OEYZNBRNYLKUJN-STQMWFEESA-N 366.466 1.573 0 40 FDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC(=O)NCC2CCC2)on1 548351924 JYEBUPKNIQXWOF-HOTGVXAUSA-N 352.454 1.744 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)Nc1ccccc1 77265184 GAXGORLXIDMIBW-KURKYZTESA-N 359.401 1.865 0 40 FDAB biogenic,in-vitro Cn1c(=O)c2nc(SCCC(=O)O)n(Cc3ccccc3)c2n(C)c1=O 33274154 AKZOCTQOSBBFIJ-UHFFFAOYSA-N 374.422 1.049 0 40 FDAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 222604936 OMRWOPXTGNIKMQ-CYBMUJFWSA-N 368.455 1.782 0 40 FDAB C[C@H]1CN(CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@@H](C)O1 329426479 JCYNQABZLBTIKI-GASCZTMLSA-N 350.463 1.151 0 40 FDAB Cn1cccc1-c1noc(CNC(=O)c2ccc(N3CCOCC3)cc2)n1 225766780 KWUDHESVOZGKDC-UHFFFAOYSA-N 367.409 1.842 0 40 FDAB CCOCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957129 WZKZHGNIHBTJIO-OAHLLOKOSA-N 358.460 1.218 0 40 FDAB Cc1cc(NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)nn1C(C)C 573104025 KTJQCZFAKREDIJ-CQSZACIVSA-N 373.461 2.553 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)NCc1ccccn1 96220112 ZZCOLASFCNEWQG-NUEKZKHPSA-N 358.467 1.834 0 40 FDAB O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226412 MWKGENUTDCQSKU-GOSISDBHSA-N 357.389 1.522 0 40 FDAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 96112757 YLYLDWDRNZIHHD-AWEZNQCLSA-N 355.398 1.418 0 40 FDAB biogenic,in-vitro Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)c2ncccn2)C3)n1 96108945 SKYCWZKXYRCFSY-BEFAXECRSA-N 354.410 1.485 0 40 FDAB COc1ncccc1CN1CCn2cc(CC(=O)NC(C)C)nc2[C@@H]1C 248014088 SDOYZBLJAFTYMX-AWEZNQCLSA-N 357.458 1.931 0 40 FDAB CCOC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cncn21 253478386 KRBPDFFUZMZTNA-OAHLLOKOSA-N 365.455 1.982 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257327273 XASYMTVHXZRIJI-QGZVFWFLSA-N 355.442 1.625 0 40 FDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O 257242070 IAYTUYXCNHHYDY-XMTFNYHQSA-N 362.470 1.822 0 40 FDAB CN1CCCC[C@@]1(C)C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257276092 NSHYUPAXHFIQFY-DLBZAZTESA-N 359.461 1.555 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cc2cccnc2)C1 257333019 XZRMNXAVJZVQIY-FQEVSTJZSA-N 354.454 1.505 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1C 257226459 FKRQIAIRYIOEKB-CQSZACIVSA-N 351.476 1.886 0 40 FDAB Cc1cc(C)n2ncc(CN3CCOC[C@@H]3c3cc(O)nc(C)n3)c2n1 257328451 XFRJDCBPSPWEFR-MRXNPFEDSA-N 354.414 1.724 0 40 FDAB CC1(c2nc(=NC(=O)Cn3c(=O)nc(O)c4ccccc43)s[nH]2)CC1 530265934 NKIQDKVHBAMRDZ-UHFFFAOYSA-N 357.395 1.066 0 40 FDAB Cc1nc(CN2CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)cs1 264303886 LGPDMJFASBIBRI-UHFFFAOYSA-N 370.478 1.752 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 282166980 HMQHNPUZGPBXMA-CQSZACIVSA-N 368.455 1.118 0 40 FDAB N[C@H](c1cn(C[C@H](O)COc2ccccc2Cl)nn1)[C@@H]1CCCO1 641204515 FYDGVAYLRKREQL-KNXALSJPSA-N 352.822 1.550 0 40 FDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCOc2ccc(F)cc21 645957700 YWHLPEVXGCLRIN-STQMWFEESA-N 358.391 1.423 0 40 FDAB CN(CCS(N)(=O)=O)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 1675877581 SKKJWKAGUICQMT-UHFFFAOYSA-N 373.438 1.778 0 40 FDAB O=C(Cc1cccnc1)N1CCOC2(CCN(C(=O)[C@@H]3CCCO3)CC2)C1 1775990896 HYFUDCQSEDBXMD-KRWDZBQOSA-N 373.453 1.023 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CC1)NC(=O)[C@H](C)O2 1615590009 JOGCHAFCGGGEOE-LBPRGKRZSA-N 352.818 1.881 0 40 FDAB C[C@H](C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21 614624943 BGVMCXDPDQRUHO-OSAQELSMSA-N 367.413 1.353 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575402923 DSVKHSDIMCTXMI-ARFHVFGLSA-N 355.394 1.500 0 40 FDAB C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)CC1(O)CCC1 585097326 KCWFFHBJABXZOB-CYBMUJFWSA-N 357.414 1.460 0 40 FDAB CNC(=O)C[C@]1(COC)CN(C(=O)c2cccc3ncccc23)CCO1 585276676 CGXWZWBIDZIEGZ-LJQANCHMSA-N 357.410 1.229 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C)c(F)c2F)n[nH]1 685940959 LZWQKJHXOWCYRQ-TVQRCGJNSA-N 358.370 1.508 0 40 FDAB CC(C)[C@@H](C(=O)NCCC(=O)Nc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 58341496 OTWLHXKMWPPDSM-RKVPGOIHSA-N 362.474 1.660 0 40 FDAB COc1cc(NC(=O)CN2CCN(c3nccs3)CC2)cc(OC)c1 57358647 DAWVPMPOQNBKOV-UHFFFAOYSA-N 362.455 1.921 0 40 FDAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 96103430 CMJJFBGFIMSSFL-GFCCVEGCSA-N 350.444 1.246 0 40 FDAB CCN1OC2(CCN(S(=O)(=O)c3cccc(OC)c3)CC2)CC1=O 1549166933 KPIBLCVRJFPISB-UHFFFAOYSA-N 354.428 1.402 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)on1 12142367 VZYSJCBZFOLNQY-UHFFFAOYSA-N 362.411 1.319 0 40 FDAB COCCNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585864 VKPLAOGUNAUDEY-UHFFFAOYSA-N 372.468 1.267 0 40 FDAB O=S(=O)(c1ccccc1CNc1ccc2nnnn2n1)N1CCCCC1 14330465 MTIMXBYRFYPLRE-UHFFFAOYSA-N 373.442 1.306 0 40 FDAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(C)=O)nn3c(O)c2C1 19017916 WHIZVZQELVPWOR-INIZCTEOSA-N 357.414 1.413 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1 1360941 LPRYGXOQMCFAQN-UHFFFAOYSA-N 365.418 1.960 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 225427201 YTYYHVNUFYUNNW-ZIAGYGMSSA-N 352.460 1.023 0 40 FDAB O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2nc(O)[nH]c2n1 550126228 CXQMBSWCGPAATA-ZDUSSCGKSA-N 371.784 1.852 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3cccn3C)no2)c1 244975237 IHOQOJNDZWGMQN-UHFFFAOYSA-N 360.395 1.756 0 40 FDAB Cc1cc(=NC(=O)CN2CCC[C@](O)(COc3ccc(F)cc3)C2)[nH]o1 2037916011 HAUSMTKTMRXGFM-GOSISDBHSA-N 363.389 1.388 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 2056223833 FGXVJLNBCKQWHK-WMZOPIPTSA-N 364.467 1.105 0 40 FDAB CCc1nc2c(c(=O)n1CCOC)CCN(C(=O)c1cccs1)CC2 1565542417 WJDKISWMFAGOGH-UHFFFAOYSA-N 361.467 1.755 0 40 FDAB O=C(N1CCO[C@@H]2C[C@H](COCCN3CCCC3)C[C@@H]21)C1(F)CCC1 1565549117 LUHYOUVYIURNOS-IXDOHACOSA-N 354.466 1.997 0 40 FDAB Cc1noc(CC(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)n1 1565556296 BMGUPVCHMOHCRM-DZGCQCFKSA-N 362.455 1.341 0 40 FDAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)N1CCOCC1 4376658 ALXXNUFGVLAVBS-UHFFFAOYSA-N 373.413 1.881 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4742191 WHSCMTAKHIAURM-QMMMGPOBSA-N 354.193 1.865 0 40 FDAB COc1cc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1 12223615 KOYZYPWZPUBCGM-UHFFFAOYSA-N 372.425 1.773 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 16819051 YOQDFYYLTGQMGG-OKILXGFUSA-N 354.472 1.733 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(CCN3CCOCC3)o2)cc1 21883105 KLYGYECUOMGLHZ-UHFFFAOYSA-N 362.455 1.984 0 40 FDAB CN(CCn1nccn1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974792 QHHFHBDFOVTTHL-UHFFFAOYSA-N 371.395 1.834 0 40 FDAB COc1ccccc1C1(CNC(=O)CN2C(=O)CCC2=O)CCOCC1 44226377 WJGXSDVWQOPHIS-UHFFFAOYSA-N 360.410 1.009 0 40 FDAB CCCc1cc(C(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)[nH]n1 30432502 WEXKZBMYNBPMTH-UHFFFAOYSA-N 371.441 1.896 0 40 FDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 20745212 ISGNIFGMAAIRLU-SFHVURJKSA-N 365.433 1.581 0 40 FDAB Cc1ccccc1NC(=O)c1sc2ncn(C[C@H](O)CO)c(=O)c2c1C 11990437 VTNPDAPTLKHXGX-LBPRGKRZSA-N 373.434 1.680 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 32915000 KTLIGDWLWMZAIZ-VXGBXAGGSA-N 360.863 1.509 0 40 FDAB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)CCC[C@H]1C 103263211 XJRRQFXQOMNVDG-SUNKGSAMSA-N 364.398 1.905 0 40 FDAB COc1ccc(CCNC(=O)Cc2csc(NS(C)(=O)=O)n2)cc1 12324095 QXKNNKOPVFZFCB-UHFFFAOYSA-N 369.468 1.425 0 40 FDAB Cc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100754102 YXWLIIPQFFNQOL-CZUORRHYSA-N 369.425 1.820 0 40 FDAB CC(C)C[C@H](CNC(=O)CCNC(=O)OC(C)(C)C)N1CCOCC1 22970374 QRZZFEPZJWQVFP-OAHLLOKOSA-N 357.495 1.764 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1 22932699 SAFZLVLAKBHAHX-KRWDZBQOSA-N 358.486 1.644 0 40 FDAB O=c1cc(CN2CCN(CCOc3ccccc3)CC2)nc2ccccn12 23294964 WSYBDXFXBPEUQN-UHFFFAOYSA-N 364.449 1.891 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 23248994 GJSHVZYSYNOTHM-AWEZNQCLSA-N 364.465 1.685 0 40 FDAB CCC(=O)N[C@H](CCSC)C(=O)N1CCC(NC(=O)C2CC2)CC1 54777513 VGCKMVGQJMIWAH-CQSZACIVSA-N 355.504 1.152 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)CC1 12529521 IPIRLXYNBZRMTJ-GFCCVEGCSA-N 373.409 1.910 0 40 FDAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O 25131805 CGDFANPEOVOPEQ-UHFFFAOYSA-N 354.815 1.754 0 40 FDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1F 56070157 QVGGBZGKTPQRBL-UHFFFAOYSA-N 362.732 1.778 0 40 FDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC(CN2CCOCC2)CC1 77745350 ZQVLYWHZSJMALM-UHFFFAOYSA-N 369.469 1.511 0 40 FDAB C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)N1CCCCC1 57227053 HOOFBXGETHUKCZ-LBPRGKRZSA-N 365.865 1.861 0 40 FDAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CCCO1 48169643 XJSMQULEGSCMTR-BDAKNGLRSA-N 361.261 1.924 0 40 FDAB COc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 10284900 JBCLDMPDKVRBCO-UHFFFAOYSA-N 371.180 1.907 0 40 FDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn12 101317959 DWEBSVBOSHMPIB-STQMWFEESA-N 363.377 1.764 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)NCc3cc(C)on3)CC2)cc1 58363892 CVWJFIDHVSJGAE-UHFFFAOYSA-N 358.398 1.659 0 40 FDAB COc1ccc(COC[C@@H](O)CNC(=O)[C@H]2COc3ccccc3O2)cc1 58377561 JTQXNDDXCLGRNI-HNAYVOBHSA-N 373.405 1.529 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(N2CCCCC2)c2nonc12 20615247 YWBGJSGRBXCILG-UHFFFAOYSA-N 370.369 1.897 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 36396960 QEWRRDWXAPORDL-UHFFFAOYSA-N 363.414 1.676 0 40 FDAB CC(C)N(CCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C 12783618 KSPYSGIZAVDXDJ-UHFFFAOYSA-N 373.494 1.681 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 12789754 HVQYKGBEHYUEQD-CQSZACIVSA-N 369.421 1.850 0 40 FDAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCS(C)(=O)=O)C1=O 48374387 ONZNBFMAUDGYNQ-CYBMUJFWSA-N 365.238 1.805 0 40 FDAB C[C@@H](O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 12824518 LEYFUVPJMSUTQN-HUUCEWRRSA-N 355.442 1.679 0 40 FDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC(=O)NC1CCCCC1 3527645 ILHDKWVLJGOXJU-UHFFFAOYSA-N 364.446 1.790 0 40 FDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000095 XBJFBUGAMXJQCN-UHFFFAOYSA-N 351.362 1.542 0 40 FDAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NC1CC1 13847121 QMRCCFIARMNHJN-UHFFFAOYSA-N 352.456 1.909 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1CC(=O)NCCOc1ccccc1OC 39990562 HTDAAQASYXOTKN-HNNXBMFYSA-N 364.442 1.608 0 40 FDAB COc1ccc(OC)c(NC(=O)COC(=O)CN2CCCCCC2=O)c1 5540317 QEDVWFMDLBFGLG-UHFFFAOYSA-N 364.398 1.588 0 40 FDAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc3c(c2)OCCO3)cn1 4985735 DMLQAWUJOHUYCQ-UHFFFAOYSA-N 355.394 1.711 0 40 FDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 78652045 JOUSWUSXJJGLQK-JTQLQIEISA-N 353.362 1.976 0 40 FDAB CC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797213 UPAMWYIETRQGAL-BPNCWPANSA-N 365.904 1.667 0 40 FDAB COc1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 61971851 UXYOQEFKWNWKMX-UHFFFAOYSA-N 373.453 1.271 0 40 FDAB CCNC(=S)N1CCC(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 19894205 GFKQJKJRRKRIQI-OAHLLOKOSA-N 360.483 1.267 0 40 FDAB CN(C)c1ccc(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 60357848 XYPIJPNQCPVMFB-UHFFFAOYSA-N 372.454 1.249 0 40 FDAB C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1 83967033 NCKZOGRHSOSJQA-DZGCQCFKSA-N 364.877 1.197 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9712100 OYJDEJNEUBQXOP-AWEZNQCLSA-N 368.422 1.967 0 40 FDAB CCCn1nc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)OC)ccc1=O 72310565 MFGDBRZBBUBCIQ-SUMWQHHRSA-N 357.410 1.934 0 40 FDAB NC(=O)c1ccn(-c2ccccc2NC(=O)CN2Cc3ccccc3C2)n1 84582091 AKBZFOMNFQCQQC-UHFFFAOYSA-N 361.405 1.926 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9905762 QVZUUTAPESNKBA-UHFFFAOYSA-N 360.439 1.556 0 40 FDAB CCCCCCn1cc(S(=O)(=O)Nc2nccs2)c(=O)[nH]c1=O 89953424 YUAZFNYISCTTKF-UHFFFAOYSA-N 358.445 1.374 0 40 FDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1 408557414 NHEMAPIGMKTGSJ-UHFFFAOYSA-N 358.460 1.297 0 40 FDAB COc1ccc2c(C(=O)CN3CCN(c4ncccn4)CC3)c[nH]c2c1 36743714 QQUUUPDTZJXBDM-UHFFFAOYSA-N 351.410 1.971 0 40 FDAB COC1(C(=O)N2CC[C@@H](c3ccccc3)O[C@@H](C)C2)CS(=O)(=O)C1 1551349124 SYNONTMTBQSWGS-ZFWWWQNUSA-N 353.440 1.179 0 40 FDAB Cc1occc1-c1nn2c([C@@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 1501040382 OPBGRQDWXZAFMG-SNVBAGLBSA-N 367.456 1.893 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 36182874 BLURUPCJCGSKIC-UHFFFAOYSA-N 356.385 1.084 0 40 FDAB O=C(Cc1noc2ccccc12)N1CCN(c2ccc3nncn3n2)CC1 36703688 NXPGCNQNKMOILC-UHFFFAOYSA-N 363.381 1.157 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H](CO)c1cc(F)ccc1F 1529394901 NKFWDQZBASJJNW-ZOWXZIJZSA-N 364.348 1.066 0 40 FDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)NCCC2=CCCCC2)c1 217454137 GAJHGWFNBKRDCN-UHFFFAOYSA-N 368.455 1.958 0 40 FDAB COc1cccc(C(=O)NCCNC(=O)NCc2ccccc2OC)c1 31033714 RUKBXBSRCOGTRR-UHFFFAOYSA-N 357.410 1.933 0 40 FDAB Cc1[nH]nc2c1[C@@H](c1ccccc1OC(F)F)c1c([nH]c(=O)[nH]c1=O)N2 31810176 YDMDUDYKQHWCGV-SNVBAGLBSA-N 361.308 1.933 0 40 FDAB O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 35315804 RBNRNKAEIXZGSQ-UHFFFAOYSA-N 366.439 1.106 0 40 FDAB O=C(CSc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647134 ISSNYWGCIFJZKG-OAHLLOKOSA-N 352.431 1.768 0 40 FDAB CN(CCCNC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(F)(F)F 40151557 UQKZMNXEQJMTHM-UHFFFAOYSA-N 368.381 1.340 0 40 FDAB CC(=O)N1CCO[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]2C1 96249869 HWTMOQRSWFKYNZ-CZUORRHYSA-N 356.419 1.084 0 40 FDAB O=C(Cc1ccc(-n2cnnc2)cc1)Nc1ccc(N2CCOCC2)cn1 582601458 MOZMLQMYOUEADZ-UHFFFAOYSA-N 364.409 1.680 0 40 FDAB COc1ccccc1CN1CC2(CN(CC(C)C)C[C@@H]3C[C@@H](O)CN32)C1 514290227 VHHPZIRRVRCNMA-RBUKOAKNSA-N 359.514 1.656 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 96036747 PPSSQQOGSFDIRF-INIZCTEOSA-N 358.417 1.658 0 40 FDAB CCN(C(=O)Cn1cnc2c1C[C@H](C)[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 428188987 GIPGFXQSLKUPBV-RDBSUJKOSA-N 353.488 1.290 0 40 FDAB CCOC(=O)c1nnn(CCN2CCCC2)c1-c1ccc2c(c1)OCO2 96345902 GJFLVNSCULYQNL-UHFFFAOYSA-N 358.398 1.946 0 40 FDAB CCN1C[C@H]2CCN(C(=O)COc3ccc(C)cc3)CC[C@H]2S1(=O)=O 96263746 YEUWMEUVTMCJDB-NVXWUHKLSA-N 366.483 1.646 0 40 FDAB Cn1cc(CN2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cn1 96059144 FSZIQVWIPYKECU-SFHVURJKSA-N 352.442 1.860 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cccs1)C2 96050390 YMSZUZAKBMNAMN-QGZVFWFLSA-N 359.455 1.045 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccs2)C[C@@]2(CNC(=O)C2)C1 96035984 UBSWKGHVKGENAK-QGZVFWFLSA-N 350.488 1.490 0 40 FDAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ccccn3)CC1)CS2 90609584 QTGQQFHHNIFJTB-AWEZNQCLSA-N 371.466 1.017 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 257211044 BXHZYVKFAWUMRE-YLJYHZDGSA-N 358.438 1.838 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 257342771 ZQCOUTCYVDQQJC-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257328726 XGWBRGASTJLBFR-QGZVFWFLSA-N 355.442 1.625 0 40 FDAB CNc1cc(Nc2cc(CCC3CCN(C(=O)CN)CC3)ccn2)ncn1 257209644 BRHJPLWBYAVKRC-UHFFFAOYSA-N 369.473 1.787 0 40 FDAB Cc1cc(C)c(C(=O)NC2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)o1 638725003 DSNBBXSYWVHXPJ-MRXNPFEDSA-N 363.458 1.371 0 40 FDAB O[C@@H]1C[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)[C@H]1n1cccn1 657514894 OHIRWNZQRDNFJX-PMUMKWKESA-N 353.382 1.466 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 643850497 SYJGBJCQBFXSIT-GOSISDBHSA-N 367.446 1.006 0 40 FDAB Cc1noc(CC(=O)N2Cc3cn(C)nc3[C@H](COc3cccnc3)C2)n1 585110953 HBNZBNLKIOIVHD-AWEZNQCLSA-N 368.397 1.254 0 40 FDAB COc1cccc(Cl)c1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942965 YWERPWWZLJMBKQ-DZGCQCFKSA-N 351.790 1.577 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)nn1 56982894 QAPHKDWLBFOAHR-UHFFFAOYSA-N 373.432 1.747 0 40 FDAB COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)ncc1C(=O)O 169751146 NKJGEMQIAYKKCU-UHFFFAOYSA-N 358.398 1.656 0 40 FDAB Cc1c(C(=O)N2CCC3(CC2)CC(=O)NCc2ccccc2N3)cnn1C 1615530122 QPVDXPFNHMKASQ-UHFFFAOYSA-N 367.453 1.835 0 40 FDAB Cc1nn(CC(=O)N[C@H](C)c2ccccn2)c(=O)c2cc3occc3n12 12115439 ZCOFUNWNAJLTQA-LLVKDONJSA-N 351.366 1.823 0 40 FDAB Cc1cccc(CC(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)c1 19234861 JPPQLZVJERMSSQ-MRXNPFEDSA-N 364.453 1.571 0 40 FDAB O=C(c1ccco1)N1CCC(Cn2nnn(-c3cccs3)c2=O)CC1 19341973 ZYPSIRZNNJSTQQ-UHFFFAOYSA-N 359.411 1.636 0 40 FDAB CC(=O)N1CCC(c2nnc3n2CCN(C(=O)CC2CCCC2)C3)CC1 19711232 VZHJKZJJKYWKIB-UHFFFAOYSA-N 359.474 1.927 0 40 FDAB C[C@H](c1cc(O)nc(N2CCN(C)CC2)n1)n1ncc2ccccc2c1=O 19717496 ICMGGKIHBRHMJW-CYBMUJFWSA-N 366.425 1.253 0 40 FDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)NC1CCOCC1 225551779 VKXKZJBDSJELLA-UHFFFAOYSA-N 366.893 1.940 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)nc(O)c1F 1888866648 XTQJQKMEPIOCKH-PHIMTYICSA-N 361.377 1.389 0 40 FDAB CCc1ncnc(N2CCCN(c3c(C)c(C)nc4ncnn34)CC2)c1F 1888888280 QBWOKSYOCJJJSJ-UHFFFAOYSA-N 370.436 1.949 0 40 FDAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4cnccc34)CC2)n1 1888903932 GVQIYWHYCRRAAY-UHFFFAOYSA-N 359.340 1.785 0 40 FDAB COc1nc(OC)nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889124878 AZHMODHMEQCHSN-UHFFFAOYSA-N 371.388 1.363 0 40 FDAB COc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2=O)ccn1 1776001699 HHJFSDOQKGIERP-UHFFFAOYSA-N 353.304 1.752 0 40 FDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)Cc3ccc(F)cn3)C2)C1=O 1614946571 LBGDUSWHUIWJNW-IBGZPJMESA-N 362.449 1.166 0 40 FDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)c(OC)c3)c2n1 5271091 BRHAXIQMMIGQAO-UHFFFAOYSA-N 371.397 1.568 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 11923775 AYRDSCJSJIXOAG-UHFFFAOYSA-N 361.427 1.327 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cc(C)nn2C)CC1 2055750661 OJSAWYNYDKJXED-UHFFFAOYSA-N 371.485 1.930 0 40 FDAB CCOc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1 23127574 GBOCHHULMSDLMT-UHFFFAOYSA-N 356.488 1.722 0 40 FDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc3nsnc3c2)n[nH]1 225555526 IOUBTLSAFFFROW-CQSZACIVSA-N 356.411 1.881 0 40 FDAB COc1cccc(CNC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)c1 49411002 QUCQGZMGTNXNSX-UHFFFAOYSA-N 356.426 1.477 0 40 FDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)n1 20426694 RUUCFQCUDZHBKH-VOTSOKGWSA-N 362.367 1.165 0 40 FDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)[C@@H]2CCCCNC2=O)CC1=O 105782143 AKHFZGSXJIOESF-HYVNUMGLSA-N 357.454 1.723 0 40 FDAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1ccccc1 20411478 XBOXIXKLAJKNLI-SFHVURJKSA-N 374.400 1.948 0 40 FDAB biogenic O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCCC1 20734143 PYCXOSGLRQXHGR-SFHVURJKSA-N 371.481 1.848 0 40 FDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccccn3)n2)cc1 20720018 ZQJOJVCCASCDLU-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB O=S1(=O)CC[C@@H](NS(=O)(=O)CCCCC(Cl)(Cl)Cl)C1 4070212 RKIQJPTXBCZATJ-MRVPVSSYSA-N 372.723 1.633 0 40 FDAB COc1cccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 6727178 QPWGHFYPCHTRPZ-JFRXWTBNSA-N 370.449 1.862 0 40 FDAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NCc1ccccc1 7719091 XCXJIPLBCXLUKG-UHFFFAOYSA-N 361.419 1.710 0 40 FDAB COC(=O)c1cc(NC(=O)c2nn(C)cc2Cl)cc(C(=O)OC)c1 2738712 JDJFQBPMRRUJSL-UHFFFAOYSA-N 351.746 1.899 0 40 FDAB C[C@H](C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)n1ccnc1 46901450 AFWNHXNNFZBOTD-FZKQIMNGSA-N 355.398 1.419 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC)ccc1OC 8476079 HAPWIFRJKUWHJL-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB COc1ccc(OC)c(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 10541361 WKHBKGKNFBKWAT-CYBMUJFWSA-N 370.471 1.728 0 40 FDAB Cc1nc2ccccc2nc1NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 42108095 SYBRROIGJPAVIM-CHWSQXEVSA-N 364.471 1.789 0 40 FDAB C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1nnc2ccccc2c1=O 61717655 IHEFMDHYYOYHJI-KBXCAEBGSA-N 364.405 1.953 0 40 FDAB O=C(CCN1CCN(CC(F)(F)F)CC1)NC(=O)NCc1ccccc1 22916397 OZHVQYYYFRGFPO-UHFFFAOYSA-N 372.391 1.582 0 40 FDAB Cn1ncc2c(=O)n(C[C@H](O)COc3ccccc3C(C)(C)C)cnc21 42758281 CWLLEFJURJGZKN-ZDUSSCGKSA-N 356.426 1.867 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1C 25195246 CLKIWVBGOLWQQH-UHFFFAOYSA-N 360.458 1.214 0 40 FDAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 57390754 WIHVDNXLBKJUNU-CQSZACIVSA-N 362.426 1.742 0 40 FDAB Cc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 22930754 TYZRWWVDSGZDKG-UHFFFAOYSA-N 358.486 1.564 0 40 FDAB CCOCCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209601 CWQOGOOCOMREOF-OAHLLOKOSA-N 368.455 1.218 0 40 FDAB CCNC(=O)CN1CCN(C(=O)CCOc2ccc(OCC)cc2)CC1 44703305 CNESOEPMQPVMFB-UHFFFAOYSA-N 363.458 1.135 0 40 FDAB CN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)NCc1ccccc1 58165996 LJJMACVIKXTQDH-UHFFFAOYSA-N 368.437 1.755 0 40 FDAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1 11010688 WAFRVAUNLTVVAP-QWRGUYRKSA-N 359.831 1.953 0 40 FDAB Cc1n[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 11657595 YDAHFSKRXSDODJ-UHFFFAOYSA-N 355.445 1.094 0 40 FDAB COc1cc(CNC(=O)CCn2cncn2)ccc1OCc1ccncc1 48447425 UCOPCJPOAGFWOJ-UHFFFAOYSA-N 367.409 1.967 0 40 FDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)CC2(CCCC2)C1=O 12911074 YPBKVWHYSGKSOI-GFCCVEGCSA-N 358.394 1.739 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1 12926085 AHNSDERVROLNNU-UHFFFAOYSA-N 373.434 1.726 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 4195277 LIQDQPQJDAERBX-ZDUSSCGKSA-N 352.460 1.182 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 13628227 HQDGXLCNKGIUAO-UHFFFAOYSA-N 363.421 1.530 0 40 FDAB COC(=O)c1ccc(OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 14220107 GGGKHQPZZPRVMD-UHFFFAOYSA-N 371.389 1.982 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 6560465 WMMLEIVSJLOJCI-UHFFFAOYSA-N 362.382 1.629 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)Cn1c(=O)oc2ccccc21 6552412 WVUKSIHQHXZPDL-UHFFFAOYSA-N 372.377 1.937 0 40 FDAB CCOC(=O)C1CCN(C(=O)COc2ccc(-c3nnco3)cc2)CC1 6650198 KGPISMXLJDGAJQ-UHFFFAOYSA-N 359.382 1.917 0 40 FDAB O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(F)c(F)c1F 6994006 ACABYMDSFZICNE-CYBMUJFWSA-N 366.295 1.999 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 67286558 QMDMWJVANGZTPX-GOSISDBHSA-N 373.453 1.752 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CCCCNC3=O)CCC2)cc1 67481090 CHBCGEAOVCEOLO-OAHLLOKOSA-N 364.467 1.476 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCC1 7786078 VRZZKYMMUDVSDV-UHFFFAOYSA-N 354.248 1.908 0 40 FDAB COc1ccc(-n2nnnc2Sc2nnnn2-c2ccccc2)cc1 7982042 WHNWNDAKRYIFAQ-UHFFFAOYSA-N 352.383 1.798 0 40 FDAB COC(=O)c1ccc(NC(=O)COc2c(OC)cccc2C(N)=O)cc1 68951750 GEDWSPVEQYHKSU-UHFFFAOYSA-N 358.350 1.598 0 40 FDAB O=C(NS(=O)(=O)c1cccs1)[C@@H]1CSCN1C(=O)C1CCCC1 72310858 HKJDTAZTAGPTJR-NSHDSACASA-N 374.509 1.645 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2ccc(Cn3cncn3)cc2)cn1C 79501723 GCEKRUQYRXLJTL-UHFFFAOYSA-N 353.382 1.351 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CC2)cc1 95989643 KCFYBGTXIRUUKM-GFCCVEGCSA-N 366.439 1.597 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@@H]3COc2cccnc2)n2ncnc2n1 306132006 KVMAUMCTDRKHDY-CQSZACIVSA-N 352.398 1.502 0 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O=C(Cc1cccc(F)c1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247877799 ULZIUWTVQFKAFT-INIZCTEOSA-N 357.385 1.997 0 40 FDAB Cc1ccc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)cc1C 248138167 DHGNYNDTWMOZBO-HNNXBMFYSA-N 366.483 1.474 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 257336245 YNQYJSJDFLKORA-GFCCVEGCSA-N 351.403 1.511 0 40 FDAB COc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cc(OC)c1 257252905 JWPULPNDLHRPCQ-QZTJIDSGSA-N 357.410 1.074 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)CCc3cccnc3)CC2)C[C@@]1(C)CO 257327410 XBFHDLSZJAKOME-IBGZPJMESA-N 359.470 1.626 0 40 FDAB CCc1nc(C)c(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)[nH]1 257204874 AWQUAUYFEKPODW-IAGOWNOFSA-N 359.426 1.532 0 40 FDAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@H](c2cc[nH]n2)C1 588216768 ZKPIXALYESYBOD-LBPRGKRZSA-N 353.382 1.231 0 40 FDAB O=C([C@H]1CCCCN1C(=O)CN1CCc2ccccc21)N1CCOCC1 264196168 ORJVLWSNBHOGRH-GOSISDBHSA-N 357.454 1.289 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3ccc(N(C)C(C)C)nc3)C[C@H]2O)cn1 628375435 CFJNSDUPWIAIPM-QZTJIDSGSA-N 359.474 1.767 0 40 FDAB Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1Cn2c(C)nnc2CN1C 644414159 GRQQJOWDPZVGID-INIZCTEOSA-N 351.414 1.533 0 40 FDAB O=C(Nn1nnc2c1CCCC2)[C@H]1Cc2cc(Br)ccc2O1 1156746001 QWFMINHAUFTKNJ-CQSZACIVSA-N 363.215 1.993 0 40 FDAB Cn1ccc(C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)n1 575616970 UMNSQBFKPQKTFB-UHFFFAOYSA-N 351.410 1.536 0 40 FDAB CN1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@@H](C(=O)N(C)C)C1 585285367 YAGCZEYXKQIBGU-ABSDTBQOSA-N 353.551 1.906 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 585108733 OGXFXQXPVRNSLL-ARFHVFGLSA-N 365.499 1.665 0 40 FDAB CN(C)c1ncc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)cn1 585281380 WTJJFHVKDCTVIT-RHSMWYFYSA-N 358.417 1.747 0 40 FDAB COCCN1CC[C@@]2(CN(Cc3cncc(C)n3)CC(F)(F)C2)C1=O 585093314 OTDPTIQUIHPYBF-MRXNPFEDSA-N 354.401 1.491 0 40 FDAB Cc1cnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)cn1 585097219 IUPPDVIOWPCWFE-CQSZACIVSA-N 354.414 1.019 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)n1 585177441 FIWDYHYOLGIGES-OAHLLOKOSA-N 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O=c1c(=O)n(C2CCCC2)ccn1Cc1cn(Cc2ccccc2)nn1 1888882283 RKXKXBYTROHQHM-UHFFFAOYSA-N 351.410 1.813 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)C1CC1 1889099135 TULDJOVOGPSBDS-SECBINFHSA-N 350.366 1.546 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 1615067807 DKLJUNKXNCFODM-INIZCTEOSA-N 360.443 1.239 0 40 FDAB Cn1cccc(C(=O)N2CCC3(CC2)CCN(c2cccnc2)C3=O)c1=O 1565551809 VTDLWROELFLPHE-UHFFFAOYSA-N 366.421 1.440 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NC3CC3)c(=O)[nH]c2c1 2952087 TXOWFNZDRYYKGC-UHFFFAOYSA-N 373.409 1.315 0 40 FDAB NC(=O)C1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609138 PAMRWXMUSJVIAX-ZDUSSCGKSA-N 357.439 1.783 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CC(Nc4cccnn4)C3)c2O1 618256494 SDQUKUOTMYOCAQ-UHFFFAOYSA-N 354.410 1.892 0 40 FDAB Cn1cc([C@H](O)CNC(=O)C(=O)NCc2cccs2)c2ccccc21 96096524 BSGQYUXBVCSTFZ-MRXNPFEDSA-N 357.435 1.706 0 40 FDAB COC(=O)c1ccc(C)c(O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40051902 JJSHQXIDZYKCQQ-TZMCWYRMSA-N 369.439 1.194 0 40 FDAB 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O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 1394744 FJRNKXNSBVPEEY-UHFFFAOYSA-N 360.435 1.936 0 40 FDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(CO)O2)c1 100377215 WKKAPEKUXJUAHC-QABNGEJJSA-N 357.362 1.059 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H]1COc2ccccc2C1 106544046 OSTMKMNGPGWHOC-DJIMGWMZSA-N 370.449 1.919 0 40 FDAB O=C(CSc1ccccn1)N1CCN(S(=O)(=O)c2ccccc2)C1 1427117 NLIAETDSSMFGED-UHFFFAOYSA-N 363.464 1.664 0 40 FDAB O=C(COC(=O)COc1ccc(Br)cc1)NC[C@H]1CCCO1 3283791 COKKORBRVHCPGD-CYBMUJFWSA-N 372.215 1.666 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3282159 HRBAHDHBVKYLET-CYBMUJFWSA-N 372.354 1.536 0 40 FDAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1COc2ccccc2O1 57475967 VSWGBXHFIULQQA-OAHLLOKOSA-N 361.423 1.754 0 40 FDAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C1(C)C 108375989 QMMHCRCDXOEHQA-UVJIQFMESA-N 373.475 1.134 0 40 FDAB COc1cc(OC)cc([C@@H](Nc2ccc3nnnn3n2)c2nccn2C)c1 12627753 WMZCJDQZPSEUSX-MRXNPFEDSA-N 366.385 1.472 0 40 FDAB CCCN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 58102644 GRTMFVRODJMBTO-QGZVFWFLSA-N 365.499 1.394 0 40 FDAB COc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(O)c1 58192875 XNSZJVRKSISDPK-UHFFFAOYSA-N 358.398 1.908 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 36392151 IZTZHEDGNZMDAK-WFASDCNBSA-N 370.471 1.965 0 40 FDAB COc1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 11013764 YMKPVPZPBQNRTA-UHFFFAOYSA-N 363.389 1.819 0 40 FDAB Cc1ccc(CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 27947329 GJRMXAAPCXCOPW-UHFFFAOYSA-N 351.428 1.973 0 40 FDAB CC(C)NC(=O)Nc1ccccc1C(=O)OCc1nc(N)nc(N(C)C)n1 11280061 DYTXSUFYXNVPFP-UHFFFAOYSA-N 373.417 1.407 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@H](C)[C@@H](C)N2 18084743 IQNMVFBOBKVYSC-GHMZBOCLSA-N 370.413 1.609 0 40 FDAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)c1nc(N)nc(N(C)C)n1 8727859 ZEONKARLHPPHLQ-MRVPVSSYSA-N 355.431 1.897 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 13637735 XYRKDFKXZBDWIS-QMMMGPOBSA-N 360.226 1.803 0 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O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1c[nH]c2ccccc12 5937879 RXTPFVYCRMTDDR-UHFFFAOYSA-N 372.402 1.872 0 40 FDAB COC(C)(C)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 96000255 AWBJHFHRISJAEA-OAHLLOKOSA-N 354.472 1.636 0 40 FDAB CC(C)SC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 9303611 LFSUNDCRTWTAEU-CHWSQXEVSA-N 368.480 1.941 0 40 FDAB Cc1ccsc1CN1C[C@H]2Cn3c(nnc3C(=O)NC3CC3)C[C@H]2C1 306139885 UDKZRQDTINXPBY-STQMWFEESA-N 357.483 1.845 0 40 FDAB COc1cccc2c1OC[C@@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 77311297 OAPIZHBXVNFCAM-AWEZNQCLSA-N 365.389 1.525 0 40 FDAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C 78553877 MGJIHMJBUMZGAB-KGLIPLIRSA-N 360.545 1.720 0 40 FDAB C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 95457482 ZOYYBSAXMRYKDU-WCQYABFASA-N 358.485 1.574 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCOCC(N)=O)c2ccccc12 84807887 LOSABORRQVMQEZ-UHFFFAOYSA-N 352.412 1.019 0 40 FDAB CCc1ccc(-n2nc(C(=O)N[C@](C)(COC)C(N)=O)c3c2CCC3)cc1 95958620 UPXMYMHKSQMRME-HXUWFJFHSA-N 370.453 1.544 0 40 FDAB O=C1NC(=O)[C@H](CCC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)N1 89783423 POCAZWUCYIEWLB-STQMWFEESA-N 351.790 1.228 0 40 FDAB NC(=O)CSc1nnc(N2CCN(C(=O)c3cccs3)CC2)s1 23141534 HCFMRMPXWBBXRC-UHFFFAOYSA-N 369.497 1.139 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCC(c2ccc3cccnc3n2)CC1 655642353 WPIDGJMIOUDIJN-UHFFFAOYSA-N 362.455 1.386 0 40 FDAB CCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 516670364 WEPBCBBFOUYUHF-SUMWQHHRSA-N 356.426 1.768 0 40 FDAB CCN1CCN(S(=O)(=O)c2cncc(Br)c2NC)CC1 72210919 UDOHCJLMGJKFAX-UHFFFAOYSA-N 363.281 1.212 0 40 FDAB CC1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)CC1 32771331 AQZZCDXIZUQFRY-UHFFFAOYSA-N 369.462 1.560 0 40 FDAB COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1c(O)n(C)c(C)cc1=O 1547208835 HFTZVRPWUOSRMK-AWEZNQCLSA-N 361.394 1.595 0 40 FDAB COc1ccc(CCC(=O)N2CCn3c(nnc3[C@H]3CCCN3)C2)cc1 72373977 KAYRFWBHNIFIAA-MRXNPFEDSA-N 355.442 1.686 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4nccnc4C)CC3)nn2)n1 374150125 WUKAFKIKBZFBLJ-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(F)cc2)s1 225500762 CKDJPPJTEMZEJD-UHFFFAOYSA-N 372.447 1.937 0 40 FDAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)NCc1ccco1 77104242 BUIPTERGEDEMJK-UHFFFAOYSA-N 361.467 1.953 0 40 FDAB COC[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1ccc(F)cc1 332376803 UCSYXAMMCOREKO-IUODEOHRSA-N 358.435 1.589 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)C(C)(C)C)C1 96244598 YUBLIZATWVAASD-HXUWFJFHSA-N 374.485 1.668 0 40 FDAB O=S(=O)(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccccc1 96296119 RANNJVGUXCHMDF-ZACQAIPSSA-N 354.472 1.016 0 40 FDAB biogenic,in-vitro CC(C)NC(=O)N1CCN(Cc2ccsc2)C[C@@]2(CC(=O)N(C)C2)C1 96036093 WWNCILFDSSHJMO-SFHVURJKSA-N 364.515 1.832 0 40 FDAB O=C(Nc1cnc(N2CCNCC2)nc1)N1CCCC[C@H]1c1cc[nH]n1 333372634 VHQUWPFTHVMORJ-HNNXBMFYSA-N 356.434 1.368 0 40 FDAB Cn1ccnc1CN1CCC2(CCN(C(=O)Cc3cccnc3)CC2)C1 96157662 JPARNGGZTVGKLY-UHFFFAOYSA-N 353.470 1.872 0 40 FDAB Cc1ccc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cc1C 248138169 DHGNYNDTWMOZBO-OAHLLOKOSA-N 366.483 1.474 0 40 FDAB O=S1(=O)CC[C@H](COc2ccccn2)C12CN(Cc1ccccn1)C2 247327210 NPCCTHZPWOMDJG-OAHLLOKOSA-N 359.451 1.545 0 40 FDAB Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257208818 BNRWCHNZFDEXIT-IBGZPJMESA-N 357.458 1.204 0 40 FDAB CCCn1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257278849 ODWSDOXTKUJGRS-UHFFFAOYSA-N 363.487 1.964 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H](CCF)C2)C1 661182763 XOHULAZWHDVGKX-UONOGXRCSA-N 364.487 1.038 0 40 FDAB Cc1ccncc1CCCN[C@@H]1CCN(Cc2cn(C)nc2C(N)=O)C1 1775961935 JFMMCRTXJPMRGL-QGZVFWFLSA-N 356.474 1.019 0 40 FDAB COC(=O)[C@H]1CCc2nnc(C3CCN(c4ncccn4)CC3)n2CC1 601044846 ROXPJASVCCHJIH-AWEZNQCLSA-N 356.430 1.578 0 40 FDAB Cc1noc(CCC(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)n1 585277519 ICNOOSOSXPSQDR-IBGZPJMESA-N 359.426 1.452 0 40 FDAB C[C@H]1C[C@@H](N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)O1 53944436 VGVYIHJZSOWJDD-FQDRTLPPSA-N 350.440 1.309 0 40 FDAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCNC[C@H]3C(F)F)cnc21 585089997 UCKQJCBSBDWHCJ-LBPRGKRZSA-N 351.401 1.945 0 40 FDAB Cn1ccnc1[C@@]1(O)COC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1 12116244 BZOIPSIEAJOALU-FQEVSTJZSA-N 373.428 1.771 0 40 FDAB Cc1cc2ccncc2n1CC1(O)CCN(C(=O)CN2CCCC2=O)CC1 12223099 WNKCORSZRCPJMN-UHFFFAOYSA-N 370.453 1.321 0 40 FDAB CCc1nc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)no1 19523189 AEUHWLOIIAWJTD-UHFFFAOYSA-N 350.400 1.020 0 40 FDAB CN1CCCc2ccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc21 19716245 QELMYGHEQVWBER-UHFFFAOYSA-N 366.425 1.541 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 19932633 LFZUZXMOVGDNPH-KUNBBXKYSA-N 369.531 1.590 0 40 FDAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)O 101273598 CSFKFVCTXAETKD-UONOGXRCSA-N 364.423 1.258 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)CCNC(=O)c2ccccc2)CC1 4940871 SWRVGPISIAIDBX-UHFFFAOYSA-N 368.455 1.021 0 40 FDAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575604818 BTHXYKSBNPAHCC-VIFPVBQESA-N 359.757 1.865 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)n1 1889149386 HOOSLAFIDWVJMD-UHFFFAOYSA-N 352.446 1.757 0 40 FDAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)c3cncnc3)C2)C1 2056224734 SMXBPIPCECPYBC-IBGZPJMESA-N 354.458 1.729 0 40 FDAB O=C(N1CCCC1)[C@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225376 OZJSFCHULDKANQ-KSSFIOAISA-N 362.451 1.397 0 40 FDAB Cc1cncc(CN2CCO[C@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226076 JQJIECOIJXADJZ-QUCCMNQESA-N 374.485 1.594 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3ccc4c(c3)OCO4)CC2)n1 253537258 HUAVREFIKLJXGH-UHFFFAOYSA-N 370.409 1.547 0 40 FDAB Cc1nc2c(c(N3CCN(S(=O)(=O)c4ccccc4)CC3)n1)CCC2 2086968339 WGMLPYQZFOPMAS-UHFFFAOYSA-N 358.467 1.785 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)Cn1cc(Cl)cn1)CC2 1565550111 PXAMCLBGEHTUNV-UHFFFAOYSA-N 362.817 1.654 0 40 FDAB O=C(c1ncc(Cl)cn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565552770 WXCOAOZRHUIRQE-ZDUSSCGKSA-N 360.849 1.695 0 40 FDAB Cn1c(O)nc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1=O 1565520801 QYGVVURCMHTTNV-UHFFFAOYSA-N 354.366 1.195 0 40 FDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OCC)cc3)c2n1 5271121 RJTFOWIVYXESQR-UHFFFAOYSA-N 355.398 1.949 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 2055751373 PHCGWRUJBJINRU-MRXNPFEDSA-N 368.503 1.425 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1 2055708127 MNOGFXHVNIUZQZ-AWEZNQCLSA-N 350.382 1.517 0 40 FDAB O=S(=O)(N1CCOCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390831881 VRPASYZBMBWLSL-KBPBESRZSA-N 353.444 1.033 0 40 FDAB COc1ccc([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1F 40033594 RSIQTITTXYYOQR-SNVBAGLBSA-N 359.361 1.155 0 40 FDAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CCN2CCOCC2)CO1 40288324 JPEJBPZYHSOYEP-UHFFFAOYSA-N 364.471 1.224 0 40 FDAB Cc1nc(C)c(CC(=O)OCC(=O)NC2(c3ccccc3)CCC2)c(=O)[nH]1 51170241 JFIDYACVDYIUIY-UHFFFAOYSA-N 369.421 1.668 0 40 FDAB COc1ccccc1OCCNc1c(NCc2ccncc2)c(=O)c1=O 101696602 LTJWWHJYDSEQDU-UHFFFAOYSA-N 353.378 1.789 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2CN1CCSC1=O 32803797 OOFSDTVVBCQPRK-UHFFFAOYSA-N 355.485 1.816 0 40 FDAB CCc1cccc(O[C@@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 4559901 GSDLPPZTQOCNCB-KFGODFMUSA-N 365.426 1.370 0 40 FDAB Cc1ccc(C(=O)NCCCN(C)C)cc1S(=O)(=O)N1CCCCC1 7771714 PGZMBAKTFQTETL-UHFFFAOYSA-N 367.515 1.851 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccccc1 8778221 DRGZCDRJQVCVQM-CQSZACIVSA-N 373.478 1.444 0 40 FDAB COc1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)ccc1C 54282198 PDKJEKJTVJLNLA-UHFFFAOYSA-N 353.378 1.323 0 40 FDAB C[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cccc(S(N)(=O)=O)c1 105129960 MAIKUEBUTDYVTI-OXJKWZBOSA-N 366.439 1.640 0 40 FDAB CCC(=O)N1CC[C@H](NC(=O)NC2CCN(CC(F)(F)F)CC2)C1 178024474 YKLNAECGHJVVGO-LBPRGKRZSA-N 350.385 1.323 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COC(=O)c2sccc2C)c2ccccc2O1 12599804 QMIJGGFJOMIHCP-CQSZACIVSA-N 374.418 1.754 0 40 FDAB CCOc1ccc(NC(=O)c2cnc(N3CCCN(C)CC3)nc2N)cc1 71772249 KTVMNEUHSPPJIP-UHFFFAOYSA-N 370.457 1.852 0 40 FDAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCCNc1ncccn1 47992839 VKLSKSOYJFHQET-RMKNXTFCSA-N 351.410 1.845 0 40 FDAB CCCc1cc(=O)n2nc(C(=O)N3CCN(c4ccccc4)CC3)nc2[nH]1 100486586 NLOPRKUDLSHHRK-UHFFFAOYSA-N 366.425 1.333 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCN[C@H](C(N)=O)c2ccccc2)c1 28368731 PSNMWLTWOAPKSF-KRWDZBQOSA-N 361.467 1.398 0 40 FDAB O=CN[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2137424 NSGJHPXAGOJXEQ-OUJBWJOFSA-N 364.660 1.710 0 40 FDAB biogenic COc1ccccc1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 3301117 WPSCXDCAVOPAEM-UHFFFAOYSA-N 360.341 1.746 0 40 FDAB CCN1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O 58341685 KEAHRMWWYNWDHR-WBVHZDCISA-N 363.433 1.184 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccccc1 3303012 VYNVUYVEYITUQI-UHFFFAOYSA-N 358.375 1.151 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 36392149 IZTZHEDGNZMDAK-DOMZBBRYSA-N 370.471 1.965 0 40 FDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)C1 12760469 BVHITXNRLLMBLT-CHWSQXEVSA-N 357.451 1.919 0 40 FDAB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 36579867 CTPIBAYUXNGWOC-KUHUBIRLSA-N 357.410 1.311 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)c(F)c1 28835421 DBHSEABHVWMJRO-HNNXBMFYSA-N 363.433 1.326 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12855471 YXQXTGQEYGBKKL-OAHLLOKOSA-N 365.455 1.055 0 40 FDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCCO)C3 13624329 PVFPMQPLVHDBCU-UHFFFAOYSA-N 361.394 1.660 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccccc1F 4370658 UQZHSPQZULLCSM-UHFFFAOYSA-N 355.373 1.491 0 40 FDAB Cc1nc2sc(C(=O)OCC(=O)NCc3ccco3)c(C)c2c(=O)[nH]1 5311691 SFQJJHWBTZKTRB-UHFFFAOYSA-N 361.379 1.668 0 40 FDAB C[C@@H](NC(=O)COn1nnc2ccccc21)c1ccc2c(c1)OCCO2 14305889 MAPHRUZHQOIDFD-GFCCVEGCSA-N 354.366 1.509 0 40 FDAB CCOCCCNC(=O)NC(=O)CSc1nnnn1-c1ccccc1 6649663 AOTLBAREAHATSE-UHFFFAOYSA-N 364.431 1.007 0 40 FDAB COc1ccc(NC(=O)[C@H](NC(C)=O)C(=O)NCc2ccccc2)cc1 5726227 KONQZYMOJWBQAD-QGZVFWFLSA-N 355.394 1.455 0 40 FDAB CCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 7878938 QIOABBMSRBSZDE-LLVKDONJSA-N 363.801 1.876 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)C1 16726596 WWPUVYQPPXVLPW-CYBMUJFWSA-N 354.428 1.010 0 40 FDAB CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2CCOC 9375898 FOBMARRXBQISMB-UHFFFAOYSA-N 374.416 1.994 0 40 FDAB Cc1cccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1C(=O)N1CCCC1 71851674 XIMPMJYFQRHKBC-UHFFFAOYSA-N 372.425 1.500 0 40 FDAB CCCCC[C@@H](C)NC(=O)CSc1nc(CC(=O)OC)cc(=O)[nH]1 9690728 DUSNLGKAGBKMET-LLVKDONJSA-N 355.460 1.663 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CCCN(c2ccc3nnnn3n2)C1 95476869 KYPLCWNXSIORJG-LBPRGKRZSA-N 353.386 1.383 0 40 FDAB Cc1noc(-c2cccnc2N2CCC(NC(=O)c3cnccn3)CC2)n1 85470796 YKUDINQCCWHDSA-UHFFFAOYSA-N 365.397 1.629 0 40 FDAB O=C(NCCc1nnc2ccccn12)c1ccc(Cl)cc1-n1cnnn1 79478847 ZJVKMXYWVBDHCH-UHFFFAOYSA-N 368.788 1.331 0 40 FDAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@H]3C2)n1 306133296 MHTWFZCPZPJBGV-GJZGRUSLSA-N 366.469 1.568 0 40 FDAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)COC)CC3)cc2NC1=O 72339696 HFQRRYMZDUKPAG-HNNXBMFYSA-N 360.410 1.864 0 40 FDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1F 71980102 WYKCOZFDXNSPDE-CYBMUJFWSA-N 356.781 1.827 0 40 FDAB Cc1nn(C)c(C)c1CCCNC(=O)N1CCCN(C(=O)C(C)C)CC1 181274435 KDFRNRPPYPVIAY-UHFFFAOYSA-N 363.506 1.869 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)NCc1ccco1 36358130 QFQCZZDEPUZUDL-UHFFFAOYSA-N 371.328 1.082 0 40 FDAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)n2)cc1 38488390 IPIWUNQQHFQEGN-UHFFFAOYSA-N 356.407 1.985 0 40 FDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cccc(OC)c2)cc1 72321708 CNAJOYPLIFEJNU-NCXUSEDFSA-N 357.406 1.712 0 40 FDAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1COCCN1CC(F)F 188384060 MOFKXZMXCGKXFU-ZDUSSCGKSA-N 356.369 1.430 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CC(c2nc(-c3ccccn3)no2)C1 49031931 OFPUQVSTDMEAQN-UHFFFAOYSA-N 374.364 1.347 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058342 OXOYRJMYMCUJTE-SMDDNHRTSA-N 372.418 1.047 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2coc(NC(=O)C3CC3)n2)CC1 75157930 JTIUYNZHVGTODY-UHFFFAOYSA-N 370.409 1.994 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1ccncc1)C2 96061958 RKCGZBLBOGVFTB-UHFFFAOYSA-N 364.409 1.203 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 96201749 RJRBURFPDJSLAY-BFUOFWGJSA-N 351.410 1.695 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 96043090 WSMZKOWVBBLAMU-YTQUADARSA-N 358.486 1.273 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)c4ccc[nH]4)CC[C@@H]3C2)nc1 96249777 NSKJCBUYQUHCNH-NVXWUHKLSA-N 355.442 1.735 0 40 FDAB COC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1S(C)(=O)=O 96208211 KEGBMNAYMVACPB-ZDUSSCGKSA-N 358.439 1.025 0 40 FDAB CC(C)(C)n1cc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)nn1 330130446 PBBSGNVKOIVZLR-AWEZNQCLSA-N 363.462 1.277 0 40 FDAB COCCN1CC[C@]2(CN(CC(=O)N(C)C)C[C@H]2c2ccccc2)C1=O 96201886 OBVLKNBBDLCIAR-FXAWDEMLSA-N 359.470 1.039 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1ccccn1 247888810 XXNAWIDTHCFDAO-LJQANCHMSA-N 369.469 1.768 0 40 FDAB Cc1nnnn1-c1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1 257267144 MGDDDYAHJPKDAQ-UHFFFAOYSA-N 361.358 1.229 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCCN(c2ncccc2F)CC1 585082773 DQZKOZCFNIKRPJ-UHFFFAOYSA-N 353.423 1.164 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257279722 OHXDHYLPYAABBX-LBPRGKRZSA-N 353.382 1.390 0 40 FDAB CC1(C)COC(=O)N1c1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 257324231 WNTNWCHRPXONCB-NSHDSACASA-N 354.432 1.351 0 40 FDAB C[C@@H]1CN(c2cc(CC3CCN(S(C)(=O)=O)CC3)ncn2)C(=O)O1 257209558 BQWBCDNWUOJZGJ-LLVKDONJSA-N 354.432 1.036 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2F)[C@H]1O 257261345 LGXVWPDJHGLGEY-IIAWOOMASA-N 353.419 1.716 0 40 FDAB Cc1cnc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 257231918 GIRMGYCUESRPMN-IAGOWNOFSA-N 352.394 1.037 0 40 FDAB C[C@@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1S(C)(=O)=O 253591297 LPKKNUBYBUZWLO-LLVKDONJSA-N 368.484 1.253 0 40 FDAB COCCn1cc(CNC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cn1 282572479 VTHWEKFCQXDXRD-UHFFFAOYSA-N 360.462 1.654 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)COc2cccc3ccccc23)C1 644030375 FLYHCIRTFSUTMZ-HXUWFJFHSA-N 356.422 1.708 0 40 FDAB Cc1nc([C@@](C)(NS(=O)(=O)c2cnn(C3CCC3)c2)C2CC2)no1 1669417655 UXLZSZLDWGRWOQ-HNNXBMFYSA-N 351.432 1.903 0 40 FDAB Cc1cc(NC(=O)Cn2c(=O)oc3ccccc32)cc(S(C)(=O)=O)c1 1288177363 GCHLITNPEIOKLS-UHFFFAOYSA-N 360.391 1.945 0 40 FDAB CCOCCONC(=O)N1CC[C@@](c2nc(C)no2)(C(F)(F)F)C1 1775960397 JNXUBMVIAPACRY-GFCCVEGCSA-N 352.313 1.562 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)NCc2cc(C(C)C)no2)C[C@H]1c1ccnn1C 1615553541 SOHSEXWDLUOLFP-GDBMZVCRSA-N 374.445 1.345 0 40 FDAB CC(C)c1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)cc1 96306688 UVNUYLWRQOLAOV-UHFFFAOYSA-N 371.397 1.385 0 40 FDAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)o1 585110875 SBOWIUYVIMCJMF-ZDUSSCGKSA-N 350.369 1.898 0 40 FDAB Cn1nc(C(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)ccc1=O 75165206 QUDJJDOOFNIWFF-QMMMGPOBSA-N 357.292 1.202 0 40 FDAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(CC(=O)N(C)C)CC1 96316512 XZTGZTWUYVDAFF-MRXNPFEDSA-N 368.481 1.873 0 40 FDAB CC(C)(C)c1cc(=O)n(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cn1 1615580820 FMXFDTPMCOBECC-AWEZNQCLSA-N 350.440 1.678 0 40 FDAB COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)O[C@H](C)C(=O)OC 1857793645 PXBVFNFEVOCEID-ZIAGYGMSSA-N 351.399 1.776 0 40 FDAB COC(=O)Cn1c(C)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc1=O 12406730 FUJGAWCMCAOKJN-UHFFFAOYSA-N 370.390 1.572 0 40 FDAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 16681489 HGPRQDCYQGUPKS-UHFFFAOYSA-N 367.515 1.396 0 40 FDAB O=C(Cn1cnc2ccccc21)NCCn1nc(-c2cccs2)oc1=O 19376681 HQSGBVQNBQLBIR-UHFFFAOYSA-N 369.406 1.731 0 40 FDAB CCCn1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c(C)n1 19526043 LLEZAGOUFIBWST-UHFFFAOYSA-N 370.457 1.427 0 40 FDAB CC(=O)N1CCC(N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)CC1 19701365 LEIYXZWUISIZDV-UHFFFAOYSA-N 350.463 1.040 0 40 FDAB COc1ccccc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 16089042 KRXMVJWBEHKOQM-UHFFFAOYSA-N 351.428 1.811 0 40 FDAB C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]23CO3)[C@]1(C)CCC1=CC(=O)O[C@H]1O 253388376 QMWJARHMJRTJMQ-UUKOIJHXSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro Cn1cnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)cc1=O 1888843337 NSZAPJFPQITRJF-UHFFFAOYSA-N 362.384 1.712 0 40 FDAB Cc1cc2c(N3C[C@H]4CN(c5nc(C)c(F)c(O)n5)C[C@H]4C3)nccn2n1 1888897899 IAFPZMKZEWYLCK-BETUJISGSA-N 369.404 1.553 0 40 FDAB Cc1cc(SCC(=O)NN2CC(=O)NC2=O)c(C)cc1Br 29019460 YRHMUVZZFZCQOG-UHFFFAOYSA-N 372.244 1.741 0 40 FDAB COc1cc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)on1 1565556202 YRHLZYGWFNBIIF-UHFFFAOYSA-N 350.400 1.083 0 40 FDAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCC1 4268681 DLPRSQQQSVXTOT-UHFFFAOYSA-N 354.439 1.984 0 40 FDAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CC2CC2)C1 2055746472 KIKMVGCXAKZAKP-LJQANCHMSA-N 363.433 1.771 0 40 FDAB Cn1cc([C@H]2CN(S(=O)(=O)c3cnn(C)c3)Cc3ccccc32)cn1 575620307 SJLBREJBIDHOCN-QGZVFWFLSA-N 357.439 1.490 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4onc5c4CCCC5)C3)nn12 585608033 UHQHVHNERKCPCB-UHFFFAOYSA-N 367.413 1.260 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1 390832172 XUFHDMFDGPOKQM-UHFFFAOYSA-N 367.452 1.813 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1C(N)=O 824704460 TXCNDWNQMRTHCV-UHFFFAOYSA-N 367.471 1.043 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1CNC[C@H](C(=O)NCc2ccccc2)C1 1714855 OWUQXQLSZGJMBR-KDURUIRLSA-N 351.450 1.845 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cccc(O)c2)cc1 3511015 RVOBZHRVKJPBDR-UHFFFAOYSA-N 356.378 1.955 0 40 FDAB CCNC(=O)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 32909482 WILNAVLDJQPILI-UHFFFAOYSA-N 358.295 1.896 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCC1 6310224 JVLIILGHFUXKGB-UHFFFAOYSA-N 368.455 1.845 0 40 FDAB Cc1ccnc2nc(C(=O)OCC(=O)NCCc3ccc(Cl)cc3)nn12 6868642 ZAIZLLHIVUCWRX-UHFFFAOYSA-N 373.800 1.602 0 40 FDAB COc1cc(NC(=O)CCNc2ncnc3[nH]cnc23)cc(OC)c1OC 12297103 HFDJMYQCRUAGNV-UHFFFAOYSA-N 372.385 1.819 0 40 FDAB biogenic COc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1OC 22372964 PTZPBGMQTREIMB-UHFFFAOYSA-N 366.395 1.417 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9547586 LVIJWHVONNVWCP-IAGOWNOFSA-N 366.417 1.991 0 40 FDAB CCOC(=O)N1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 34871914 MCCUJXUQXFUSHM-ZDUSSCGKSA-N 365.430 1.763 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 25043994 UMDSJYUIAMHEEG-CQSZACIVSA-N 353.488 1.344 0 40 FDAB Cc1ccc(-c2nnc([C@H](C)n3cnc4c3c(=O)n(C)c(=O)n4C)o2)cc1 12507015 ZPHODRKLWIGCNM-NSHDSACASA-N 366.381 1.401 0 40 FDAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)c1nc(N)nc(N(C)C)n1 8727855 ZEONKARLHPPHLQ-QMMMGPOBSA-N 355.431 1.897 0 40 FDAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NC[C@H]4CCCO4)c3)c2)n1 65250883 HKMFLXFFXPQZPX-CYBMUJFWSA-N 354.370 1.535 0 40 FDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1O 109983595 TWGRYGNLIMWYAH-XFFZJAGNSA-N 371.305 1.258 0 40 FDAB CC(C)NC(=O)CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 27141282 IPWWOHYBKHBAEV-HNNXBMFYSA-N 363.433 1.661 0 40 FDAB CNC(=O)c1ccc(NC(=O)Cn2c(-c3cccs3)noc2=O)cc1 58209074 QKJCGCJXJCDZRI-UHFFFAOYSA-N 358.379 1.563 0 40 FDAB CCc1ccc(O)c(C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)c1 58281711 JBXILDNVXLXUQL-UHFFFAOYSA-N 361.486 1.971 0 40 FDAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3nonc23)C2=C(COC2=O)N1 22061678 MDPKWTOXKXUQSW-CQSZACIVSA-N 355.350 1.946 0 40 FDAB in-vitro CCN1CCC(N(C)S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 27970932 STMYXHXVKWKTFR-UHFFFAOYSA-N 350.440 1.898 0 40 FDAB O=C(CCc1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 10744184 ABPUXFPANDGFOC-UHFFFAOYSA-N 354.410 1.529 0 40 FDAB Cc1ccc(C)c(N2N=C(C(=O)N3CCC(C(N)=O)CC3)CCC2=O)c1 45972944 AMOSLNXLMVTYPO-UHFFFAOYSA-N 356.426 1.510 0 40 FDAB CN(C)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 3400343 OQOVDLZQOZBREU-UHFFFAOYSA-N 356.378 1.955 0 40 FDAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(N2CCOCC2)nc1 12939762 CZYCCTHJWFJSSR-UHFFFAOYSA-N 373.413 1.491 0 40 FDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)Cc1nonc1C 72324277 ABVJBEKURSDTRC-JTQLQIEISA-N 363.399 1.394 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408595371 RPVRURPPMGTCSA-ZJUUUORDSA-N 364.851 1.167 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)cc1 13636235 XGXYOHWMBXUWGT-CQSZACIVSA-N 355.394 1.397 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2c(c1)OCO2 6354249 RENVNHUXOVAIEN-UHFFFAOYSA-N 367.313 1.437 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 65533836 YOBFHWCNRRQUGW-KRWDZBQOSA-N 372.446 1.794 0 40 FDAB NC(=O)C1CCN(C(=O)COC(=O)c2cc3c(s2)CCCCC3)CC1 5362439 GJUAMNZTEBIDMP-UHFFFAOYSA-N 364.467 1.898 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2c(=O)[nH]1 6465712 WFJKYMLWRZBJHK-LLVKDONJSA-N 362.349 1.817 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ncnc3[nH]cnc23)CC1 9059738 IUGJDFMANJMRIJ-UHFFFAOYSA-N 366.381 1.937 0 40 FDAB O=C(C[C@H]1COC(=O)C(=O)N1Cc1ccccc1)NCc1ccccc1 6645921 HOYPDCLOIQOHAX-KRWDZBQOSA-N 352.390 1.647 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 4748171 XVHGHHDZOLVVRV-HNNXBMFYSA-N 374.393 1.292 0 40 FDAB Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc2ncccc12 66756987 WOTJAGAIRMVBOU-LBPRGKRZSA-N 371.422 1.041 0 40 FDAB Cc1ccccc1-c1nnn(CC(=O)NC[C@H]2COc3ccccc3O2)n1 7048111 LYFXSINKMQBGAW-AWEZNQCLSA-N 365.393 1.605 0 40 FDAB Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4CCC4)CC3)C2=O)n(C)n1 96002477 SYXAQPXXANWNIF-INIZCTEOSA-N 359.474 1.168 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842602 JZOGKQGSXWSKRC-UHFFFAOYSA-N 373.390 1.104 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC(OC[C@@H]2CCCO2)CC1 81653916 QMVOHEBHTXLKOJ-KRWDZBQOSA-N 371.441 1.527 0 40 FDAB C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 17334517 XMJOMOCWLXHKSZ-ZDUSSCGKSA-N 357.435 1.945 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)N1CCCC1 9885052 RMMOQGXNMLYPCQ-AWEZNQCLSA-N 358.442 1.305 0 40 FDAB C[C@@H](CN1CCOCC1)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 84638273 KSSHDPDDADSHKK-KBPBESRZSA-N 372.462 1.072 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 79318663 QLHLGLHSXVDDBZ-QZTJIDSGSA-N 364.511 1.758 0 40 FDAB COc1cccc(CNC(=O)Cn2ccc(C(=O)OC(C)C)cc2=O)c1 95452295 AYEHEDUJQAFDBC-UHFFFAOYSA-N 358.394 1.739 0 40 FDAB COc1cccc(C(=O)NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 89467240 ZCKLVEZSBNPUAS-UHFFFAOYSA-N 351.380 1.831 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1OC 75110540 GNROARBKBHXWQA-CHWSQXEVSA-N 354.472 1.916 0 40 FDAB Cc1cc(=O)oc2ccn(CCn3c(CO)nc4ccccc43)c(=O)c12 1547208808 UTNIYKSVEAHCRT-UHFFFAOYSA-N 351.362 1.805 0 40 FDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cnccn2)cc1 67896309 PGKIHIVUQKKJGY-NVXWUHKLSA-N 356.382 1.010 0 40 FDAB biogenic,in-vitro Cc1ncsc1CN1C[C@H]2Cn3c(nnc3C(=O)NC3CC3)C[C@H]2C1 306143763 YLOBRHWSBGTYIZ-RYUDHWBXSA-N 358.471 1.240 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306139904 UDQLMEUYINPIOV-FVQBIDKESA-N 364.467 1.270 0 40 FDAB O=C(NCCNc1ncccn1)c1cccc(I)c1 32913533 SPJZOAWYFNXTLK-UHFFFAOYSA-N 368.178 1.923 0 40 FDAB Cc1ncccc1CNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 527915739 ZYAGKZQYDPAUBO-KRWDZBQOSA-N 368.437 1.869 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NC2CC2)C(C)C)cc1 39211314 JNIGBJNSDOJXPM-MRXNPFEDSA-N 368.455 1.120 0 40 FDAB NC(=O)CSc1nc2ccccc2n1CC(=O)NCc1ccccc1 34784669 WUOKXKONRZAPFK-UHFFFAOYSA-N 354.435 1.930 0 40 FDAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCc2nc[nH]c2C1 1565524141 BLPOQGWDZZILEH-LLVKDONJSA-N 350.382 1.224 0 40 FDAB O=C(NCCNC(=O)C1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@@H]12)c1ccc(O)cc1 521333052 KOXLQEKZLJTBDZ-JTBYRICESA-N 352.434 1.632 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CCSC)cc1 75157648 XGSUHHOCCBXHRC-INIZCTEOSA-N 354.428 1.032 0 40 FDAB Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cs1 40043064 GSGJMEZLRDYBJT-DIFFPNOSSA-N 364.471 1.611 0 40 FDAB O=C(CN1Cc2cccn2-c2ccc(Cl)cc2C1=O)N1CCOCC1 225379086 FGDGGAMCYOVUKJ-UHFFFAOYSA-N 359.813 1.945 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107289 PDEUTRZITRFQEI-CVEARBPZSA-N 355.460 1.028 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(O)cc1 96343476 RNKWWQFXXNMQKT-INIZCTEOSA-N 353.378 1.192 0 40 FDAB biogenic Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)c2ccnnc2)C3)n1 96209416 KZGUAIHABWRKLS-APWZRJJASA-N 354.410 1.485 0 40 FDAB Cc1cccc(N2CCOC[C@]3(C2)CN(c2cccnc2)C(=O)CO3)n1 96240150 RLNCBSIMJOXDTN-IBGZPJMESA-N 354.410 1.424 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)s2)Cc2cncn21 248095341 MLOLZENMVFSYHU-CQSZACIVSA-N 354.501 1.749 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccc4c(c2)CCCO4)[C@H]3C1=O 249688288 IGZBOWFVSHHOBF-DCXXXQMHSA-N 368.433 1.430 0 40 FDAB O=C(O)CNC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1 256027833 FEPRFJXRLGIFRQ-MRXNPFEDSA-N 355.346 1.720 0 40 FDAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCCC(=O)O 257247296 IYIKAKUZVHWQSW-LJQANCHMSA-N 372.425 1.284 0 40 FDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccc(C)n(C)c2=O)C1 257252402 JURDPWBZRKFQQN-AWEZNQCLSA-N 355.442 1.620 0 40 FDAB CCc1nccn1-c1ccc(C(=O)N2CCO[C@](C)(C(=O)N(C)C)C2)cn1 257230857 GEFGTVCHAOLXNL-IBGZPJMESA-N 371.441 1.149 0 40 FDAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)CCCn3ccnc3)C[C@H]2O)c1 257252381 JUPVEWSXURZLLV-HZPDHXFCSA-N 359.382 1.012 0 40 FDAB Cc1n[nH]cc1CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257221956 DRHDAZZFQFDEOL-MRXNPFEDSA-N 369.469 1.965 0 40 FDAB O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CCS(=O)(=O)c2ccccc21 623720063 UMWKYUYSKFYBPL-LLVKDONJSA-N 355.366 1.856 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)c1cnn(C)c(=O)c1Br 602846765 SCMBHSHOAGOCCX-SNVBAGLBSA-N 366.215 1.819 0 40 FDAB COc1cccc2sc(OC3CN(C(=O)c4ccc(=O)n(C)n4)C3)nc12 90594168 NHLSEJVAZXUGHV-UHFFFAOYSA-N 372.406 1.302 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)c1 575405547 UJTQKHXYMPHCLD-KZNAEPCWSA-N 366.421 1.302 0 40 FDAB CN(C)[C@H]1CN(Cc2ccc(OCCCN3CCCC3=O)cc2)C[C@@H]1O 585270727 POEVSFDVAUMWSO-OALUTQOASA-N 361.486 1.185 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N2C[C@H](O)[C@H](O)C2)C1 680450785 GSSCWUSKWHZESZ-MGBSGCIJSA-N 361.442 1.374 0 40 FDAB C[C@H](Oc1cccnc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1606729699 IVKDNMFMWJBXMA-ZDUSSCGKSA-N 363.439 1.245 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(F)cc2Cl)cc1 11028289 HXHISCYTJNTLAL-UHFFFAOYSA-N 372.805 1.822 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 12972044 VXBZJBNMIRFMGZ-UHFFFAOYSA-N 358.442 1.933 0 40 FDAB O=C(c1nc[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344404 IVZSYNOWXWUBHQ-SNVBAGLBSA-N 356.411 1.636 0 40 FDAB Cc1nccnc1N1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 508347561 FXPDODLKWJPDBX-MQYQWHSLSA-N 370.375 1.790 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@]12C[C@@H](c1ccccc1)CO2 643587440 FBTRSJKYEJUIJX-DBXWQHBBSA-N 368.433 1.799 0 40 FDAB Cc1cccnc1CCNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 583548409 NQKDKVTWXSFGED-JKSUJKDBSA-N 352.438 1.923 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1Cc1ccccc1 1848353589 LXYPFRQOXVBQLO-IBGZPJMESA-N 369.440 1.957 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35362442 NHLQVAUPNYWYII-UHFFFAOYSA-N 352.866 1.944 0 40 FDAB O=C(NCCN1Cc2ccccc2OCC1=O)c1cc(-c2ccco2)n[nH]1 238870232 MSKZPNQLTPNUNE-UHFFFAOYSA-N 366.377 1.821 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 1614933935 NEAGPIIVJISYKW-MRXNPFEDSA-N 366.483 1.319 0 40 FDAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cc(C5CC5)on4)C3)CC2=O)cn1 1146922155 VIBALDSSMFNVFE-GOSISDBHSA-N 355.398 1.555 0 40 FDAB C[C@]1(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)CC=CCC1 1565556773 UZGRUABVGLQEMK-PMACEKPBSA-N 372.469 1.657 0 40 FDAB CCCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518876 WQSHBLBTOBOSTN-OAHLLOKOSA-N 364.423 1.437 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941500 UNTWBSXAXPQFSZ-CQSZACIVSA-N 362.382 1.214 0 40 FDAB COCCNC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C 8978856 ZFSVMOZPWJJWTC-UHFFFAOYSA-N 369.468 1.937 0 40 FDAB COc1ccc(Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 12226838 MKTYVBBKHAZGOD-UHFFFAOYSA-N 356.382 1.701 0 40 FDAB Cc1csc(NC(=O)CSc2nc(O)c3cnn(CCO)c3n2)n1 15881241 CXFRAWCEDJJECX-UHFFFAOYSA-N 366.428 1.020 0 40 FDAB Cc1nnc2ccc(N3CCN(c4ccc(-c5cccnc5)nn4)CC3)nn12 1775974757 OMUDGINTDUKLFS-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cn1cnnc1CN1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 2086881922 FDAPWVHREKPQIO-AAEUAGOBSA-N 352.364 1.940 0 40 FDAB Cc1cc2ncnc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)c2[nH]1 2086861034 ABJZADAGZRKMTH-ZDUSSCGKSA-N 365.384 1.729 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3cccc(N4CCNC4=O)c3)nc2n1 40114577 YTLWODCCHJCEFB-UHFFFAOYSA-N 351.370 1.523 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 30847280 GLABPKZOIUBIST-VXGBXAGGSA-N 371.459 1.747 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(C)=O)c(OC)c1 828093 ZSIMDWQNENOQHB-OAHLLOKOSA-N 364.423 1.976 0 40 FDAB CCc1nnc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)s1 2607026 QJZXRFLKNIUCMB-UHFFFAOYSA-N 365.419 1.946 0 40 FDAB C[C@]1(c2ccc(NS(=O)(=O)c3cccs3)cc2)NC(=O)NC1=O 32818923 KUHORUHXFBRCQY-CQSZACIVSA-N 351.409 1.604 0 40 FDAB Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2cc3sccc3n12 4911996 BLUSDNZSCKJOIO-UHFFFAOYSA-N 353.407 1.731 0 40 FDAB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 6957939 FPCLFLOYYKIMGM-WTKPLQERSA-N 368.187 1.958 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(O)cc1O 103263208 XJRRQFXQOMNVDG-UHIISALHSA-N 364.398 1.905 0 40 FDAB COc1cc(C(=O)OCCOc2ccccc2F)ccc1OCC(N)=O 10900168 IXSUZKYUYFNFDA-UHFFFAOYSA-N 363.341 1.934 0 40 FDAB Cc1ccc(CC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cn1 103447801 OVZRNXCAUZUYCQ-MRXNPFEDSA-N 358.486 1.524 0 40 FDAB Cn1ccnc1COc1ccc(Cn2nnn(-c3cccs3)c2=O)cc1 42571622 BJXJAMQSJPQNPA-UHFFFAOYSA-N 368.422 1.851 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCn3cccn3)ccc21 57280296 ZMRDPMKRFXSFKO-UHFFFAOYSA-N 362.455 1.506 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)CN3CCC[C@H](C)C3)cnc12 55404821 LQTGMLRULLWKLO-HOCLYGCPSA-N 356.470 1.942 0 40 FDAB O=C(CON1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1 1400423 WVHKMOSYQFOBSJ-UHFFFAOYSA-N 365.389 1.563 0 40 FDAB O=C(CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)NCC(F)(F)F 57175410 GEESXVGLJABAEN-CQSZACIVSA-N 357.376 1.693 0 40 FDAB COc1cccc2c1OC[C@H](NC(=O)c1ccc3c(c1)[nH]c(=O)n3C)C2 77355967 RYEIFZPSOMCEJD-CYBMUJFWSA-N 353.378 1.609 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(-c2cccs2)noc1=O 58248915 MVAFBDKXEKFXOW-JTQLQIEISA-N 353.400 1.269 0 40 FDAB Cc1ccn2c(=O)c(C(=O)NCc3ccnc(-n4cccn4)c3)cnc2c1 48235702 NCGZUKGCGIRTFE-UHFFFAOYSA-N 360.377 1.514 0 40 FDAB CCN1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1=O 58341686 KEAHRMWWYNWDHR-RDJZCZTQSA-N 363.433 1.184 0 40 FDAB CN(CCCO)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 83860838 QRHQKYQOGZVFIL-UHFFFAOYSA-N 362.442 1.966 0 40 FDAB O=C(CSc1nncs1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13394588 CMZDFBWEFZJIPA-GFCCVEGCSA-N 362.436 1.924 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N[C@@H](C)c1ccc(F)cc1 96514063 CTYLKNBOKQHXTJ-AXLKIAQESA-N 366.414 1.983 0 40 FDAB COc1cccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1OC 8994480 YXGVBWTYKWPUCW-UHFFFAOYSA-N 356.426 1.704 0 40 FDAB COc1ccccc1-c1noc(Cn2nnn(-c3ccccc3)c2=O)n1 14245862 RQYONLYRJQVYMN-UHFFFAOYSA-N 350.338 1.536 0 40 FDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc2C1 14251916 CSXDAXUPSACAJD-HNNXBMFYSA-N 359.455 1.529 0 40 FDAB Cc1c(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c(=O)n(-c2ccccc2)n1C 408661939 MDTKCXGBADGGQN-DPZJBDQQSA-N 367.405 1.621 0 40 FDAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 6886809 FEJQFGSBUVBXLA-UHFFFAOYSA-N 367.452 1.725 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)c2ccccc2O1 7252933 WCXPDJLQVJUXCT-INIZCTEOSA-N 361.348 1.917 0 40 FDAB Cc1noc(N)c1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 7251745 NRBZXYJQINIMKI-UHFFFAOYSA-N 355.253 1.682 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)[C@H]2CC=CCC2)C1=O 7782666 IACBUIAZYVJKQZ-DJJJIMSYSA-N 371.393 1.384 0 40 FDAB COc1ccc(C(=O)OCC(=O)N(C)C)cc1S(=O)(=O)NC(C)(C)C 7813654 PEFPFUCCNIHSME-UHFFFAOYSA-N 372.443 1.017 0 40 FDAB CN(C)CCCNC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9302581 MXOGFKMRSCDYPN-UHFFFAOYSA-N 361.446 1.003 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@@H](C)CN2 17971947 SPVHOSYRPZXDBY-JTQLQIEISA-N 356.386 1.220 0 40 FDAB C[C@@H](Cc1ccccc1)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 72310900 XRRGDFBWUOQWJQ-NSHDSACASA-N 356.382 1.057 0 40 FDAB NC(=O)c1cccc(CCNC(=O)c2cccc(N3CCNC3=O)c2)c1 95397024 OIPVQBNURHTONH-UHFFFAOYSA-N 352.394 1.288 0 40 FDAB CC[C@H](C)[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(=O)O 95970165 QPLMIOWWFSHTDO-NHYWBVRUSA-N 356.444 1.377 0 40 FDAB O=C(Nc1cccc(Cn2cccn2)c1)N(CCO)CCN1CCOCC1 75109882 IBIVRFYGLUQCOA-UHFFFAOYSA-N 373.457 1.090 0 40 FDAB Cc1cc(C)n(C[C@H]2CN(C(=O)CCn3c(C)csc3=O)CCO2)n1 110903618 LBJPXWHMVYUZFA-OAHLLOKOSA-N 364.471 1.349 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c(O)n1 548021537 DWMKIFKUFNVKOU-STQMWFEESA-N 374.420 1.298 0 40 FDAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)C1CC(F)(F)C1 306123711 AULDBYOTJSLGBS-OAHLLOKOSA-N 368.428 1.970 0 40 FDAB CC(C)CNC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997957 KVFFAOVHAIMBDJ-UHFFFAOYSA-N 366.893 1.350 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)n(C)c1 30764501 HFKGKFLYOGJOST-HNNXBMFYSA-N 361.467 1.781 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1 408622905 NZWHLIPNCKHWGZ-UHFFFAOYSA-N 358.460 1.249 0 40 FDAB COCCNC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487120 UOLZNDDXZSOZPG-UHFFFAOYSA-N 370.365 1.696 0 40 FDAB O=C(Cc1ccccc1Cl)NCCn1nc(-n2cccn2)ccc1=O 70640952 OIDPBBLKRMIJRI-UHFFFAOYSA-N 357.801 1.441 0 40 FDAB COc1cccc(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)c1 64871417 KJCUPHJYBWHPIG-UHFFFAOYSA-N 363.377 2.000 0 40 FDAB NC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 31284584 QPTGJUSJKRQKLF-LBPRGKRZSA-N 357.366 1.131 0 40 FDAB COc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc(OC)c1 45364864 PNDURRYAFXZVCZ-AWEZNQCLSA-N 358.394 1.962 0 40 FDAB O=C(c1cccnc1N1CCCCC1)N1CCN(c2cccnn2)CC1 195377549 JGQSLTVNFDBFRR-UHFFFAOYSA-N 352.442 1.824 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2cnccn2)C1 225795688 HAVJVZHNEXIDQD-KRWDZBQOSA-N 354.410 1.607 0 40 FDAB O=S(=O)(NC[C@@H]1Cc2ccccc2CO1)c1ccc2c(c1)OCCO2 225786825 ORXWJAYRPQVUQY-HNNXBMFYSA-N 361.419 1.878 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CCO3)cn1 96159040 TWBZUBPWZSDGEL-UHFFFAOYSA-N 354.414 1.087 0 40 FDAB COc1cccc(CN2C[C@@H]3[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]3C2)c1 96250923 CZNYSTPIPTVEKH-GVDBMIGSSA-N 366.483 1.019 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1cccnc1)CC2 96059492 ZCILJUWKPVRBCO-UHFFFAOYSA-N 364.409 1.203 0 40 FDAB CN1CCN(C(=O)c2nn(C)c3c2CCN(Cc2cccs2)C3)CC1 96187494 CEOADLZGMTZCIB-UHFFFAOYSA-N 359.499 1.428 0 40 FDAB CCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC)C[C@H]3OCC[C@H]32)cc1 96041238 VCKJZPKXUIGRBI-NUEKZKHPSA-N 352.456 1.163 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2cccnc2)s1 95116333 KCUMITDPQYRTMF-UHFFFAOYSA-N 365.374 1.835 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 96143438 FLEHTKZFSMLYCX-HXUWFJFHSA-N 372.469 1.411 0 40 FDAB Cc1cc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)oc1C 96225665 XZAAJYXWBVBLTL-HNAYVOBHSA-N 361.442 1.912 0 40 FDAB COCCNC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 247887607 SFKKIFUQJWSWJU-SFHVURJKSA-N 353.426 1.684 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@@H](CCNS(C)(=O)=O)C2)s1 248094831 MJHQPKJTWQDNIM-AWEZNQCLSA-N 368.528 1.824 0 40 FDAB CCN1CCN(c2ccc(C(=O)N(C)Cc3nncn3C)cc2F)CC1 585083298 OTBXCNQAGHSLHS-UHFFFAOYSA-N 360.437 1.368 0 40 FDAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)COC)ccc2c1N 257318167 VMSZBSAVRCKESD-GFCCVEGCSA-N 362.455 1.938 0 40 FDAB Cc1cc(C[C@H]2COCCN(S(=O)(=O)c3cccs3)C2)ncn1 257235866 GZXANRRDOBYOCG-CYBMUJFWSA-N 353.469 1.726 0 40 FDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 257248852 JFMYVAJPQLGDOP-AWEZNQCLSA-N 357.462 1.351 0 40 FDAB Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 257335711 YLNCSYUWTNZGIQ-LJQANCHMSA-N 360.433 1.864 0 40 FDAB Cc1ccccc1CC(=O)N1CC[C@H](O)[C@@H](N2CCCN(C)CC2)CC1 257235830 GZSOTGDVOXPDMM-PMACEKPBSA-N 359.514 1.527 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1 257223641 DYGQLMXNHXWDBA-UHFFFAOYSA-N 354.458 1.807 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(F)c2Br)C1 643996758 PFGRYGHHBSEPPS-AWEZNQCLSA-N 359.195 1.431 0 40 FDAB O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCc2nnc(O)cc2C1 654263403 SGOBHQNTWOBCJA-CMPLNLGQSA-N 360.336 1.750 0 40 FDAB Cc1ccc(CCC(=O)N[C@@H]2CC[C@H](CNC(=O)C(C)(C)C(N)=O)C2)o1 1684445948 PEDPPHRMDASOAM-UONOGXRCSA-N 363.458 1.433 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(OC)cc3)C2)OC1 585104460 IVUIAPRXOHZXFY-INIZCTEOSA-N 368.499 1.616 0 40 FDAB Cc1nc(N2CC(Cn3nc(C4CC4)ccc3=O)C2)c2cnn(C)c2n1 585603473 WFOYEVOFGBYMKE-UHFFFAOYSA-N 351.414 1.242 0 40 FDAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)Cn2cccnc2=O)C1 585275742 GNAIVLFAUYKOHC-IBGZPJMESA-N 357.410 1.248 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)CCCc2ccc(F)cc2)C1 685940898 JVRXXTKSWGUENL-ZFWWWQNUSA-N 350.390 1.586 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(-c3ccco3)s2)C1=O 48288622 YLTSFDQZJUBABV-HNNXBMFYSA-N 361.383 1.457 0 40 FDAB Cc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(-c2ccncc2)n1 58209248 KSEJMNLGAYSRFS-OAHLLOKOSA-N 366.469 1.636 0 40 FDAB Cc1csc(N2CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 58248695 PMOYSRIERXWUDP-ZDUSSCGKSA-N 367.519 1.976 0 40 FDAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccco4)sc3nc2=O)cc1 95959935 PHGNFBWNHHIHSF-GDNBJRDFSA-N 351.387 1.551 0 40 FDAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)[C@H]1O 1615075887 KUEBFJOHRHKVCV-FRFSOERESA-N 361.373 1.030 0 40 FDAB Cc1nc(N2CCC(NC(=O)CCn3nccc3C)CC2)[nH]c(=O)c1C 12146191 NRQILWBJRZMRSF-UHFFFAOYSA-N 358.446 1.067 0 40 FDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(Cc2ccccc2)CC1 12777372 JQYHZTNWNWEKCP-UHFFFAOYSA-N 369.465 1.650 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 17073931 MFKPYASVZNUPKO-SYMSYNOKSA-N 358.394 1.673 0 40 FDAB COC[C@@H](C)NC(=O)CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1 19687971 HFDBSJDDDIRRLQ-OAHLLOKOSA-N 371.485 1.813 0 40 FDAB CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC(C)(C)C)CC1)C2=O 19699491 WFQZMLDLLJEQLI-UHFFFAOYSA-N 364.490 1.430 0 40 FDAB CNc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CN(C)CC2 19711519 JTTJYSMZNTYYFK-AWEZNQCLSA-N 366.469 1.921 0 40 FDAB N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 101273567 SUYGZKLVNVTMNK-ZJUUUORDSA-N 363.222 1.770 0 40 FDAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cn(C)nc1OC 12422628 JGCWKXONFOOBLX-UHFFFAOYSA-N 364.475 1.858 0 40 FDAB C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(C(N)=O)cc1 4407692 GYNRTLHQVBVAPS-NSHDSACASA-N 352.350 1.617 0 40 FDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCCC4)C[C@@H]2C(=O)N1c1ccccc1 1888853707 UVBASLCLOWNXGE-IYBDPMFKSA-N 350.422 1.910 0 40 FDAB Cn1cc(C(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)nn1 1888890273 CBRWEPJDCKQUPW-UHFFFAOYSA-N 367.388 1.374 0 40 FDAB O=C(NCc1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921911 MPBXDNSSWPMFHT-IYBDPMFKSA-N 363.425 1.402 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C1CCC1 36394683 PWINHVYVRDQBTR-UHFFFAOYSA-N 367.471 1.370 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 36430617 GTZDHPKNXUYVJT-ZIAGYGMSSA-N 359.426 1.635 0 40 FDAB CCOCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840411 MAIXPHMJHMQHCC-GOSISDBHSA-N 350.390 1.587 0 40 FDAB O=C(NCc1ccon1)[C@H]1CN(Cc2nccs2)CC12CCOCC2 1565543537 USSDNXLNDHJOCX-CQSZACIVSA-N 362.455 1.676 0 40 FDAB COCCN1CCCC2(CCN(C(=O)c3ncc(Cl)cn3)CC2)C1=O 1565554576 BIOTXFQOPRDWSX-UHFFFAOYSA-N 366.849 1.621 0 40 FDAB CN1C(=O)CCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 16916575 XPNLYBZJIYVIFF-UHFFFAOYSA-N 363.373 1.830 0 40 FDAB CCOCc1ccccc1CNC(=O)C1CCN(S(=O)(=O)CC)CC1 30509229 GOLFTBIIRDFFSY-UHFFFAOYSA-N 368.499 1.901 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccncc2)=NN1c1ccccc1 30614776 BBNFZQIVIDYBPZ-MSOLQXFVSA-N 363.421 1.865 0 40 FDAB COCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548278 CRMMGIAVJUNCAL-ZFCANOHDSA-N 371.437 1.100 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 32492722 DREFMMWUOGRLGR-AWEZNQCLSA-N 365.389 1.743 0 40 FDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(C)sc2C)CC1 32771466 ANUSLGFTFBUUIZ-UHFFFAOYSA-N 366.530 1.457 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@H]1COc2ccccc2O1 102260836 GCQONDJWRZZNSO-MELADBBJSA-N 358.394 1.118 0 40 FDAB NC(=S)Nc1nnc(-c2ccc(-c3nnc(NC(N)=S)o3)cc2)o1 1630171 MCXWPAFPJJNOND-UHFFFAOYSA-N 362.400 1.098 0 40 FDAB CNc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3423488 CVACDJDBPFPNJR-UHFFFAOYSA-N 363.395 1.171 0 40 FDAB COC(=O)COc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)ccc1OC 52578404 RZMOUBICFVMVTR-NSHDSACASA-N 361.398 1.780 0 40 FDAB C[C@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N1CCc2ccccc2C1 32950494 RMVCWUTYKOAPGD-ZDUSSCGKSA-N 359.426 1.294 0 40 FDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 6348481 DWHNBEIRYNXQPG-UHFFFAOYSA-N 351.265 1.902 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 6948763 HROJVQXSPQWFOM-UVTDQMKNSA-N 363.439 1.552 0 40 FDAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 7306302 ITQPJQWEFVGLDQ-INIZCTEOSA-N 363.391 1.825 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)no1 7735800 NXZKFMOSPUWQBD-UHFFFAOYSA-N 352.368 1.329 0 40 FDAB NC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCOCC1)c1ccccc12 107195543 MMXDOXGWTMYSMA-HNNXBMFYSA-N 357.454 1.835 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cnn(C)c2)cc1 23796329 SFMSXAJHWVFUAC-ZDUSSCGKSA-N 364.471 1.942 0 40 FDAB NC(=O)[C@H](OC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1 24212700 OSOOHCDENYCLIA-QGZVFWFLSA-N 352.346 1.873 0 40 FDAB Cc1nc2ccc(N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2s1 12517155 DHCXVYUZUKWXJF-MRVPVSSYSA-N 373.438 1.268 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 56009605 GOMLCCCXFLAHCI-UHFFFAOYSA-N 366.483 1.342 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)Cc1cnn(C)c1 25044324 KFPPKKHDXQDORZ-INIZCTEOSA-N 364.471 1.382 0 40 FDAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108529613 VKICKGKVONGVCE-ZDUSSCGKSA-N 356.444 1.291 0 40 FDAB COCCN1CCCC2(CCN(C(=O)c3csc(C)n3)CC2)C1=O 108534594 GCNLYHUUERWHMX-UHFFFAOYSA-N 351.472 1.943 0 40 FDAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccccc1-n1cnnn1 58192738 SUWHAMDNZYJRTK-UHFFFAOYSA-N 360.381 1.749 0 40 FDAB O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 58216601 RADAORVXDHPSEJ-OAHLLOKOSA-N 362.393 1.038 0 40 FDAB C[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C1 28018279 QDVLNEQNDPKPJV-CYBMUJFWSA-N 353.440 1.880 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1cscn1)C2=O 48356049 KNNHWDAEDYVSFD-ZBEGNZNMSA-N 350.444 1.602 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H]3CCOc4ccccc43)cnc21 12806769 QQTKCYSYXLRTIZ-CQSZACIVSA-N 353.382 1.160 0 40 FDAB CCN(CC)C(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12843940 SMSYHIOUMGQTOP-GFCCVEGCSA-N 356.444 1.481 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 12940965 JTDGWEWJCXXRRL-MRXNPFEDSA-N 359.470 1.893 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nn2cnc3ccccc32)cc1 12942289 XUGTYKPVWYUDHN-UHFFFAOYSA-N 358.423 1.512 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 12939020 YZAPMCJJJCGYPA-UHFFFAOYSA-N 360.457 1.024 0 40 FDAB C[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)NCCC(=O)O 4086271 BHRGWJHZKQMGJI-NSHDSACASA-N 366.373 1.607 0 40 FDAB biogenic C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2ccccc21 18750442 JFMWRYROSBZFQJ-SNVBAGLBSA-N 357.341 1.939 0 40 FDAB CC(=O)N[C@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)C(C)C 8922197 XQODQAFWGNUUGG-HNNXBMFYSA-N 354.834 1.931 0 40 FDAB C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6291305 GAFRBFHXCYBSAY-VXGBXAGGSA-N 352.412 1.561 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccccc1 13945646 NBUJJRSEDAACNK-UHFFFAOYSA-N 367.449 1.668 0 40 FDAB COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCC(N)=O 5245878 HOTNPAMLTKMPSI-UHFFFAOYSA-N 371.865 1.025 0 40 FDAB COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1OCC(N)=O 14069674 JYUOSPVNSMYBFE-NSHDSACASA-N 360.332 1.974 0 40 FDAB COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)c3ccc[nH]3)C2=O)cc1OC 6580539 NANSTVGMPUHYQM-LJQANCHMSA-N 371.393 1.768 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1 23983918 PJGUPTWYEMVGNT-AWEZNQCLSA-N 362.407 1.628 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71279696 IHDCBMSLUYXDKD-UONOGXRCSA-N 366.439 1.912 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)c(C)c1 4943990 CGRNTOQPBAZFCO-AWEZNQCLSA-N 370.471 1.357 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC2(Cl)Cl)NC(=O)N[C@@H]1CC 7814392 ANGOBRZQWOONRJ-HTQZYQBOSA-N 365.213 1.632 0 40 FDAB O=C(CSc1nnc(CN2CCCC2)o1)NC(=O)NCc1ccco1 8343587 NYYYUCPITBVMKG-UHFFFAOYSA-N 365.415 1.377 0 40 FDAB COC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 8327655 UTSFLYUYGQAIOH-CYBMUJFWSA-N 368.455 1.543 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1C 9577855 CBUOQAHTGZOQMX-UHFFFAOYSA-N 360.414 1.980 0 40 FDAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)NC3CC3)c2C)C1 71889526 GRYAAIFONZTGNL-UHFFFAOYSA-N 368.441 1.556 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(C)C)cc1 9724661 OEMKNHWAYCJMBK-UHFFFAOYSA-N 369.487 1.219 0 40 FDAB O=C(CCOC[C@H]1CCCO1)NCc1ccc(CN2CCOCC2)cc1 97326974 LEDDRLQUUYSXMF-LJQANCHMSA-N 362.470 1.721 0 40 FDAB O=C(CCN1C(=O)N[C@@H](CC(F)F)C1=O)N1CCOc2ccccc2C1 95992571 RAUWQKANFUGMCL-LBPRGKRZSA-N 367.352 1.373 0 40 FDAB COc1ccc(C(=O)COC(=O)c2ccccc2-n2cnnn2)c(OC)c1 23074667 IPOHRPRVLLBSIY-UHFFFAOYSA-N 368.349 1.719 0 40 FDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@H]23)cs1 306125261 CKSZYGPVLHSQCX-ZMSDIMECSA-N 358.467 1.723 0 40 FDAB COc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)c(C(=O)O)c1 507630393 PWMVLONLXJEEKL-UHFFFAOYSA-N 357.365 1.954 0 40 FDAB O=C(NCc1ccco1)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 35380238 CHWQZRDDUSGKFB-IBGZPJMESA-N 367.449 1.849 0 40 FDAB in-vitro COc1cccc([C@H](O)[C@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1OC 40267357 ROWAKELLCPMBIU-ICSRJNTNSA-N 370.405 1.745 0 40 FDAB COc1cccc(-c2c3c(=O)n(CCCO)ccc3nc3nc(C)nn23)c1 40398494 IGYISAPZAFYISZ-UHFFFAOYSA-N 365.393 1.806 0 40 FDAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2c2ncon2)c1 329972801 ZGJFHEDPORZICA-CFVMTHIKSA-N 359.382 1.790 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccccc1Cl 224044921 CLKRHNKQCQCOQG-UHFFFAOYSA-N 367.858 1.813 0 40 FDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(Cc1cnn(C)c1)CC2 96059543 NNTVWQLHDIOCKL-UHFFFAOYSA-N 351.458 1.659 0 40 FDAB CC(=O)N1C[C@@]2(CO[C@H](C(=O)NCCc3cccnc3)C2)c2ccccc21 96144480 OIVSCXTWFRERDL-FPOVZHCZSA-N 365.433 1.834 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96239219 UGSZKRZWCKUSDP-SFHVURJKSA-N 352.398 1.210 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(CC(=O)N(C)C)C1 96244528 XIUNKDAPYCJMDU-LJQANCHMSA-N 359.474 1.169 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96253321 NBGDKISLKYTDKC-IXDOHACOSA-N 358.442 1.439 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 247534783 QBWYQHZGCRFJBR-CQSZACIVSA-N 374.422 1.376 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2ccc(C)n2)n1 257331104 XRJDAERMBHRHCA-QGZVFWFLSA-N 356.430 1.371 0 40 FDAB CC(=O)N1CCC[C@H]1c1cc(N2CC3(CCOCC3)OC2=O)nc(C)n1 257259614 KZCYSLGKYCPRCU-HNNXBMFYSA-N 360.414 1.974 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(CCOc2ccc(F)cc2)C1 257327567 XBVSOFTYNUSUEA-LBPRGKRZSA-N 353.419 1.821 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cncs2)C1 257250993 JOXRSEWGQYMOJQ-JTQLQIEISA-N 354.457 1.365 0 40 FDAB O=C(Nc1ccccc1OCC(=O)N1CCOCC1)c1ccc(F)cn1 542193047 VHVBYTPFZPLTCK-UHFFFAOYSA-N 359.357 1.711 0 40 FDAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccccn3)CC2)CC1 257248043 JBUFBHRHGFLSSK-FQEVSTJZSA-N 374.485 1.039 0 40 FDAB COc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCOC2)c(Cl)cc1C(=O)O 281093727 VPWDZKPPHREOTD-RKDXNWHRSA-N 363.819 1.750 0 40 FDAB OCCN1CCC(Nc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 608083746 ISVNFPXHKIOKIB-UHFFFAOYSA-N 354.414 1.390 0 40 FDAB C[C@@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1nnc2n1CCCC2 623774908 POHWJOJIMGZDLJ-SECBINFHSA-N 371.367 1.927 0 40 FDAB Cc1nnc(CN2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)s1 625662328 OIFRMGHZTSBNGU-AWEZNQCLSA-N 353.469 1.824 0 40 FDAB Cn1cc(-c2ccccc2CNC(=O)CN2CCCC[C@H](O)C2=O)cn1 644410512 LGRUFRJKBGHACU-KRWDZBQOSA-N 356.426 1.077 0 40 FDAB CN(C(=O)c1c[nH]nc1[C@@H]1CCNC1)[C@H]1CCN(c2ccccc2F)C1=O 662457487 JWVNZXFVKFSRKT-WBMJQRKESA-N 371.416 1.503 0 40 FDAB CN(C)CCC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 664523083 YTYSTZVTNSXICD-DLBZAZTESA-N 361.490 1.413 0 40 FDAB CCn1c(CN2C(=O)Cc3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 1263057251 YNXRKHWIWFXXPT-CYBMUJFWSA-N 368.441 1.054 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)c3cccc(C)c3C)CC[C@@H]21 1775990756 HGSJBAQXIUEFGT-HKUYNNGSSA-N 371.481 1.893 0 40 FDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 96074933 AVYJWSWGUMICLQ-GOSISDBHSA-N 359.430 1.522 0 40 FDAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 96025864 JROARLVUGAUTFO-UHFFFAOYSA-N 354.428 1.378 0 40 FDAB COCC(=O)N1CCC(c2cncc(-c3noc(C(F)(F)F)n3)n2)CC1 585289432 FZZLZUKOIWHKRZ-UHFFFAOYSA-N 371.319 1.898 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(O)C3)C[C@H]2O1)NCc1cccs1 585109214 CXSJEPUOLKNOAD-WFXBRLAISA-N 364.467 1.141 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@H](O)C1)C2 585104595 QVRYFAQCVALUAI-ZWKOTPCHSA-N 360.454 1.470 0 40 FDAB CC(=O)NCCNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 51134303 YCASIEAECGXANI-UHFFFAOYSA-N 360.382 1.631 0 40 FDAB Cc1nc(N2CCCN(S(=O)(=O)C3CC3)CC2)cc(C(F)(F)F)n1 574586375 CLHRZZLSUATWHN-UHFFFAOYSA-N 364.393 1.808 0 40 FDAB CC[C@@H]1CN(C(=O)Nc2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCOCC1 1772595091 VUACASFKCKJBKX-BZUAXINKSA-N 366.462 1.474 0 40 FDAB O=S(=O)(NCc1cccnc1OCC(F)(F)F)N1CCCCC1 26863702 ZVCOYOXQZALGIG-UHFFFAOYSA-N 353.366 1.843 0 40 FDAB C[C@]1(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)CCCO1 12121484 JTMOBDCRPKEMBB-CQSZACIVSA-N 359.473 1.217 0 40 FDAB CC(C)[C@@H](N)C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ncccc31)C2 12134670 OYWHLRVZZBUXQQ-RSWUFXNLSA-N 356.470 1.904 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12903953 ULYHQSBUACESNR-OKILXGFUSA-N 370.471 1.390 0 40 FDAB Cc1cccnc1C1(O)CCN(C(=O)C[C@H]2SC(=O)N(C)C2=O)CC1 13227728 HSUWMEWDNRVNKK-GFCCVEGCSA-N 363.439 1.284 0 40 FDAB CC(=O)Oc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 13572859 GRSKVAZIFBMORE-GDNBJRDFSA-N 364.386 1.686 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13674206 OLHSRHNOWOXHOB-CQSZACIVSA-N 371.503 1.308 0 40 FDAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16423218 HCKKMJPHOLLAJH-HZPDHXFCSA-N 368.499 1.340 0 40 FDAB CC(C)(C)Nc1nc(NC2CC2)nc(Oc2ccc(OCC(N)=O)nn2)n1 16856966 KLQVLSHNTRRJII-UHFFFAOYSA-N 374.405 1.103 0 40 FDAB COc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)cc1Cn1cccn1 19575894 SFNAMEGVEFTYQQ-KFKAGJAMSA-N 356.470 1.579 0 40 FDAB CN(C)C(=O)Cn1c(C2CC2)c(CN2CCC(O)CC2)c2cccnc21 19581262 AKDBSMNBKWNUQQ-UHFFFAOYSA-N 356.470 1.959 0 40 FDAB O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccccc1N1CCOCC1 19659143 ZKDHZTITTZOWNI-QGZVFWFLSA-N 369.469 1.823 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)cc1 226318390 OGTOPVMHGOEASF-ZDUSSCGKSA-N 373.434 1.634 0 40 FDAB CO[C@@H]1CN(C(=O)CNC(C)=O)C[C@]12C[C@H](c1cccc(F)c1)CO2 643586073 WNCOLGAGITYLGM-YXJHDRRASA-N 350.390 1.062 0 40 FDAB O=S(=O)(c1cccnc1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888869455 SPAMGCBCCLOXDY-ZDUSSCGKSA-N 360.439 1.839 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)ncnc21 1888903917 ZKYOJDDRWXZNGR-BETUJISGSA-N 367.388 1.106 0 40 FDAB Cn1cc(S(=O)(=O)N2CCC(COc3ccncc3Cl)CC2)cn1 1889175169 GYGZGDNWBJBAJK-UHFFFAOYSA-N 370.862 1.948 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cnc3ccccc3n2)CC1 22124347 GTJJJYCLKFKKQY-UHFFFAOYSA-N 372.381 1.087 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2nnc3n2CCN(C)C3)CC1 2037838543 NASAQXJWUWNKGC-OAHLLOKOSA-N 369.469 1.897 0 40 FDAB Cc1cc(CCC(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)ccn1 1142249551 NGPNNCOERCVGBC-HXUWFJFHSA-N 367.453 1.712 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 2086968240 ZQPHZEPSENZPFR-HUUCEWRRSA-N 362.430 1.514 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565544840 SSUWQIULESRTEW-UHFFFAOYSA-N 371.416 1.628 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)CCN(c2ccn(C)n2)C3=O)on1 1565545103 DNDUYMKOOLWQDY-UHFFFAOYSA-N 359.386 1.076 0 40 FDAB CC[C@H](CO)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 5437622 FKHNCQVNGCJWOR-GFCCVEGCSA-N 374.466 1.753 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)C1CC1 9016621 RMUVUQIBFLHBNZ-UHFFFAOYSA-N 355.373 1.307 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1 9571257 JJSLOZJPWVOYQI-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB CN(C)C(=O)COCc1n[nH]c2c1CN(C(=O)/C=C/c1cccs1)C2 2055713375 HILBGWHSDZRBGR-AATRIKPKSA-N 360.439 1.632 0 40 FDAB CN1CCN([C@H](CNC(=O)C(=O)NC(C)(C)C)c2ccc(F)cc2)CC1 22783096 OWCKXFSLLHYDCL-MRXNPFEDSA-N 364.465 1.145 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)CC1 390828524 RQIDNXVEHRNFHF-HNNXBMFYSA-N 370.475 1.062 0 40 FDAB CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)cc1OC 11566202 LFDDMEYPNQDQBZ-SECBINFHSA-N 352.250 1.815 0 40 FDAB CC(C)OCCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12220259 DAMZHSLOSUTSPZ-DNVCBOLYSA-N 365.474 1.632 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CCO1 50850279 DJKNUIULNWDSFI-INIZCTEOSA-N 356.353 1.383 0 40 FDAB COCCN1CNC2=N[C@@H](c3ccccn3)n3c(nc4ccccc43)N2C1 20567793 SIYQYPXBSPXOKZ-QGZVFWFLSA-N 363.425 1.621 0 40 FDAB O=C(Nc1ccc(C(=O)Nc2ccncc2)cc1)N[C@H]1CCS(=O)(=O)C1 32088847 SJSPTBBTTKGTBQ-HNNXBMFYSA-N 374.422 1.643 0 40 FDAB COc1cc2ncn(CC(=O)NCc3ccccn3)c(=O)c2cc1OC 20714581 LDVWNYBNZHYNSF-UHFFFAOYSA-N 354.366 1.125 0 40 FDAB Cc1ccccc1NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 624097 AJZRZNQWQKKNKO-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB O=C(O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 33048050 AFVLAPJLLZLNJR-HNNXBMFYSA-N 357.410 1.713 0 40 FDAB Cc1sc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1 6679814 HVMFCFDRICKLGR-UHFFFAOYSA-N 367.452 1.725 0 40 FDAB COCc1nc([C@@H]2CCCCCN2S(=O)(=O)N2CCCCC2)no1 96000621 AFYZSBNWKHUISZ-ZDUSSCGKSA-N 358.464 1.864 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 33585150 LJLIHYGJICFFQT-IRHLFGLPSA-N 355.438 1.844 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2c(F)c(F)cc(F)c2F)CC1 2803785 JDGWPOZQXJLYIN-UHFFFAOYSA-N 354.325 1.853 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 8946341 WJZJAHCUBCVAQP-STXHMFSFSA-N 373.453 1.870 0 40 FDAB COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)=O)cc2)s1 42273287 UHHWSPNALOUDDE-UHFFFAOYSA-N 367.404 1.856 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc2c(c1)OCO2 102901550 JOCPUQZRMWFHGW-OKILXGFUSA-N 356.378 1.025 0 40 FDAB Cc1noc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 23374085 PTTBBYUOMGTHAU-UHFFFAOYSA-N 371.440 1.584 0 40 FDAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1O 105631212 UAUSMABHOBGDIW-IPPJXQLGSA-N 357.387 1.626 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)CC(=O)N[C@H]2CCCCNC2=O)cc1 47660918 ZCZFHNFJTSRPSH-HNNXBMFYSA-N 366.483 1.543 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1ccccc1F 1266352 ANDHEHHUULBRBM-UHFFFAOYSA-N 371.416 1.991 0 40 FDAB CCCS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 108331232 SCDLDDTUQMYBCI-AWEZNQCLSA-N 353.488 1.910 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317684 SHKYBLIFFGZZFI-CWSCBRNRSA-N 364.345 1.341 0 40 FDAB O=C(NCCOc1ccc2c(c1)CCC2)c1cnc2n(c1=O)CCS2 58224177 YUONKZUNGZSCFI-UHFFFAOYSA-N 357.435 1.647 0 40 FDAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(N)=O)CC3)c(C)c12 2123268 LFLQFVUZTOEYQG-UHFFFAOYSA-N 372.421 1.685 0 40 FDAB biogenic COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncccn3)CC2)c1C 36384648 OTUUNZDGBVJTAH-UHFFFAOYSA-N 357.414 1.213 0 40 FDAB COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 2310654 AEDSLTJAPCWWFQ-UHFFFAOYSA-N 350.396 1.281 0 40 FDAB biogenic C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 12791200 AYDSZPPJOJXGJY-HXPMCKFVSA-N 369.425 1.886 0 40 FDAB Cc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 24921828 QRDVMSKUFWQDSJ-UHFFFAOYSA-N 362.451 1.811 0 40 FDAB NC(=O)[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 11685214 LSPXLKXKPICEHN-ZDUSSCGKSA-N 368.798 1.371 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 48342296 MUKSAOWHPWDKIU-OAHLLOKOSA-N 354.447 1.788 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 12940306 HCRYHSPWHOSFCH-IAMHBRQHSA-N 371.437 1.911 0 40 FDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 13371610 PRJPCTKDZIUKFE-GJZGRUSLSA-N 361.485 1.024 0 40 FDAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2cccc3cccnc23)CC1 14230604 GVXLDOUBMAYJTE-UHFFFAOYSA-N 354.410 1.644 0 40 FDAB CCCc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C(=O)OC)=C(N)O2 4741517 DJJCSWWZFTUHLZ-SFHVURJKSA-N 354.366 1.336 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(=O)[nH]c2)c1 9337598 WUHCLKUYQLQQBA-UHFFFAOYSA-N 365.411 1.363 0 40 FDAB CN1CCC2(CCCN(Cc3nccs3)[C@H]2CNS(C)(=O)=O)CC1 306140298 UPCDSWBUKUZMEB-AWEZNQCLSA-N 372.560 1.369 0 40 FDAB CCN(C(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 6972417 JHPWZAYLNFXDEB-LBPRGKRZSA-N 361.446 1.176 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc2O1 7307291 QGEHBOHEHUJRSB-CYBMUJFWSA-N 370.789 1.921 0 40 FDAB CCn1nc(C)c(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1C 93735983 VDSFBBIZAFIOST-UHFFFAOYSA-N 367.475 1.155 0 40 FDAB CCC[C@H](CC(=O)OC)NC(=O)CN1CCN(Cc2ccccc2)CC1 89365120 TXBCRPVHSZEUFM-GOSISDBHSA-N 361.486 1.652 0 40 FDAB Cc1ccc(C(=O)C2CCN(C(=O)Cn3cccnc3=O)CC2)c(C)c1 25303199 HSDFSUJMZBQZIV-UHFFFAOYSA-N 353.422 1.982 0 40 FDAB CCOC(=O)C1=C(C)N=c2s/c(=C\N(C)C)c(=O)n2[C@H]1c1ccccc1 22357484 PHBSGDITBQHQQR-QBOMHBFWSA-N 371.462 1.269 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)C1CCC1 36653132 FHRLFUTWAQMWJT-UHFFFAOYSA-N 351.410 1.558 0 40 FDAB CC(=O)N(CCN1CCOCC1)Cc1cc2ccc(C)cc2n2nnnc12 35315322 BFRMFQPLLNTOGO-UHFFFAOYSA-N 368.441 1.267 0 40 FDAB O=C1C[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)CN1Cc1ccccc1 550100184 LXUHLAMWSRPIOH-OAHLLOKOSA-N 370.409 1.530 0 40 FDAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cccc(N2CCCC2=O)c1 532599103 ZOSIVCLTTIDEKR-MRXNPFEDSA-N 360.410 1.909 0 40 FDAB COc1ccc2[nH]c(=O)c(C3N4CC5(C)CN3CC(C)(C4)C5=O)cc2c1 79192637 WMTCZESWOUZSLB-UHFFFAOYSA-N 353.422 1.762 0 40 FDAB biogenic COCCN1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC1 525157719 LMAQPNWSBKXHNG-UHFFFAOYSA-N 360.433 1.735 0 40 FDAB Cc1nnc(SCC(=O)N2C(=O)CN(C)C(=O)c3ccccc32)s1 40385986 WSWDFAIIXHBQSG-UHFFFAOYSA-N 362.436 1.584 0 40 FDAB CCOc1cc([C@@H](C2=C(O)NC(=S)N[C@@H]2O)n2ccnc2)ccc1O 223812467 LCEJYIXOGJTQTF-UONOGXRCSA-N 362.411 1.143 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1C 224190859 NHKIFGLLQMLDID-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB Cc1ccccc1NC(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCCN(C)C)C1 96253152 UTYUZTUFLCJVAN-BFYDXBDKSA-N 360.458 1.294 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cnn(C(C)C)c2)o1 96114412 JVDPWDYPQMSDLC-ZDUSSCGKSA-N 350.371 1.964 0 40 FDAB biogenic CCc1cnc(N2CCc3cc(C(=O)NC)c(N(C)C)nc3CC2)nc1 96260314 IFSLYVRWECAIDT-UHFFFAOYSA-N 354.458 1.465 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(c1ncccn1)C2)NCCc1cccs1 96207440 KQJPQNDSDUYRPU-KDOFPFPSSA-N 358.467 1.740 0 40 FDAB O=S1(=O)CC[C@@H](COCc2ccccn2)C12CN(Cc1ccccn1)C2 247345877 UMDMZGXCLABPSW-INIZCTEOSA-N 373.478 1.683 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229509 ADFSMYPLWQQDJX-ZTENYAIWSA-N 362.401 1.803 0 40 FDAB CCCn1/c(=N\C(=O)CN(C)S(C)(=O)=O)n(CC)c2ccccc21 585079471 XPSCHLWKIMBFIF-MSUUIHNZSA-N 352.460 1.191 0 40 FDAB COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1cc(O)nc(C)n1 257277518 NYGYBSQGQMTLNQ-INIZCTEOSA-N 357.410 1.950 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3ccccc3F)C2)ncn1 257269607 MQQUQUNYMNDMJV-LJQANCHMSA-N 358.417 1.614 0 40 FDAB CS(=O)(=O)N1CCC(c2cccc(-c3cnc4ncccn34)n2)CC1 257240365 HTCWKVOSAXNMIQ-UHFFFAOYSA-N 357.439 1.930 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 250940661 IVWKPVUYITVDQV-JFILPPLUSA-N 350.440 1.518 0 40 FDAB Cc1cc(O)nc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257239695 HQJLBZWXINESJT-OAHLLOKOSA-N 354.414 1.724 0 40 FDAB Cc1cn2c(n1)C[C@@H](C(=O)N1CSC[C@@H]1C(=O)NCC(C)C)CC2 624965385 ONBKDIOTMSKPJF-UONOGXRCSA-N 350.488 1.428 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NC1CCN(Cc2ccccc2)CC1 644242410 RQXMVFXHIHZCGA-SFHVURJKSA-N 359.470 1.141 0 40 FDAB CN(C)[C@H]1CN(C(=O)NCc2ccccc2CN2CCCCCC2)C[C@@H]1O 664101628 RAFQTWIYZLHSPN-PMACEKPBSA-N 374.529 1.879 0 40 FDAB CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N(C)CC)CCO1 1694949754 NYFLJOAMWJPVNF-OAHLLOKOSA-N 358.446 1.434 0 40 FDAB Cc1ccsc1CN1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 585112798 WQCQCCAKAULPLN-CQSZACIVSA-N 354.501 1.749 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1cc[nH]n1)c1ccc(S(C)(=O)=O)cc1 585123997 YWUDNMOFXMGORL-SGIREYDYSA-N 363.439 1.563 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CC(Oc4ccncc4)C3)CC2=O)cc1 591047020 HTHHEWKGIAEBNV-CQSZACIVSA-N 367.405 1.733 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@](O)(COc3ccccc3C)C2)cn1 1615142917 DYERDLIRADTDNE-IBGZPJMESA-N 357.410 1.376 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOCC1 5880252 HKMUCWWHVPKISN-UHFFFAOYSA-N 368.455 1.342 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 12087149 BCQHXJSNEJOSQL-AZUAARDMSA-N 358.438 1.968 0 40 FDAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc(C(F)(F)F)c1 13636875 MNGNIHLMTZCEOY-UWVGGRQHSA-N 362.329 1.719 0 40 FDAB O=C([C@@H]1Cc2[nH]cnc2CN1Cc1ccc(Cl)cc1)N1CCOCC1 15676234 BFAZFYHEWNRTGR-KRWDZBQOSA-N 360.845 1.849 0 40 FDAB biogenic,in-vitro Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19288827 RYMLBBVSVGEWCS-INIZCTEOSA-N 352.442 1.711 0 40 FDAB CCC(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 19498529 RLOUENMEJLMEQP-UHFFFAOYSA-N 366.487 1.596 0 40 FDAB C[C@H](NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)C1CC1 19750785 OYTGLUCDFLPOLI-ZDUSSCGKSA-N 371.412 1.832 0 40 FDAB COC(=O)/C=C(\C(=O)OC)[C@H]1C(=O)Oc2c(C)c(=O)c3ccccc3n21 5551949 PKEJVWJQGRSKNY-MSKHEQNASA-N 357.318 1.042 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888904171 IGRFABIMOMREIN-STQMWFEESA-N 367.413 1.177 0 40 FDAB CCOc1ccccc1CN1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037983859 IZAOCQFKMLISIX-HXUWFJFHSA-N 362.470 1.924 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@H]2C1 1565551093 MJWXOWQQKFZLCP-BBWFWOEESA-N 358.442 1.038 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)CC1 1565556347 DPCKAKSSORSYIZ-IXYNUQLISA-N 371.485 1.942 0 40 FDAB CC[C@H](Sc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1)C(=O)OC 5078358 OPGAURPUNVBBPW-JTQLQIEISA-N 362.411 1.648 0 40 FDAB CCCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713406 KXCJYHCUTMUXER-OAHLLOKOSA-N 362.474 1.567 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)N4CCCC4)c3C2)nc1 2055739152 MKJZDHSCSVXFFV-CYBMUJFWSA-N 354.410 1.901 0 40 FDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@]2(O)C=CCCC2)cc1 606440550 BJTSOHOLPCIOFU-KRWDZBQOSA-N 364.423 1.090 0 40 FDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(N)=O)cc1 7456341 ZKLJXHXQTPHSJY-UHFFFAOYSA-N 364.361 1.592 0 40 FDAB Cc1cc(C)n2nc(CC(=O)Nc3cccc(-c4nnnn4C)c3)nc2n1 40132271 RDCWIGRAMRTRNZ-UHFFFAOYSA-N 363.385 1.113 0 40 FDAB NC(=O)NC(=O)COC(=O)COc1ccc(C2SCCS2)cc1 21579446 UGLXQEJZUNOMOK-UHFFFAOYSA-N 356.425 1.282 0 40 FDAB O=C(Cn1cc(Nc2ccc3nnc(C(F)(F)F)n3n2)cn1)NC1CC1 52487546 WORLDFLAKADKAE-UHFFFAOYSA-N 366.307 1.362 0 40 FDAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nnn(C)n1 2427764 SUVWAZDBUOXSNA-UHFFFAOYSA-N 361.214 1.652 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 102610084 OYSONYPLTCCTHY-BPKBQXTESA-N 358.394 1.264 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 4543997 SCFSYXWTXWATKA-LZDSYCOUSA-N 357.337 1.359 0 40 FDAB C[C@@H]1Sc2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2NC1=O 32970974 WOYVBDZBSIMIKN-BJOHPYRUSA-N 354.453 1.426 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1 6824032 CFJXGHWCZTXIJJ-CQSZACIVSA-N 362.451 1.721 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N3CCOCC3)[C@H]2C)cc1 103146231 LERQAYLUCXNVHR-GJZGRUSLSA-N 367.471 1.488 0 40 FDAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20481567 ROTCLFJOKWAQJF-QGZVFWFLSA-N 367.515 1.562 0 40 FDAB CCn1nnnc1SCC(=O)N1CCN([C@H](C)c2ccccc2)CC1 22056137 XAWYVHALNMSBMR-CQSZACIVSA-N 360.487 1.691 0 40 FDAB O=C(CN1CSCC1=O)NCCc1cc(Cl)c2c(c1)OCCO2 22508257 RJRREUDSSYDFMH-UHFFFAOYSA-N 356.831 1.303 0 40 FDAB Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2c1ccccc1 9289396 QXCQHEMXBGGWCT-SFHVURJKSA-N 366.469 1.956 0 40 FDAB CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@H]1CC(=O)NC1=O 104138167 AWQRBZIBZBNYGJ-ZDUSSCGKSA-N 369.425 1.343 0 40 FDAB NC(=O)CSCCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 23082053 BUIRYNWOCZRUTD-UHFFFAOYSA-N 355.891 1.593 0 40 FDAB CCOc1ncccc1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 23101864 AJJDSLGSEATAGT-BFUOFWGJSA-N 374.441 1.597 0 40 FDAB O=C(NCCCO)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 101451913 OMFCRMVVPPBROP-ADAWSYLGSA-N 362.813 1.125 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)Cn1ncc2ccccc2c1=O 24896424 SBFIQUIRVXCOJX-UHFFFAOYSA-N 372.406 1.407 0 40 FDAB CN(CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)[C@@H]1CCc2ccccc21 25047705 FSECVULYRUEAED-QGZVFWFLSA-N 366.421 1.442 0 40 FDAB COc1ccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1OC 22266971 DEWAPJJPUGTNIM-HNNXBMFYSA-N 351.366 1.701 0 40 FDAB CCNC(=O)c1ccc(Cl)cc1NCC(=O)N(C)CC(=O)NC1CC1 55874449 RKHGTGKXVNIBKC-UHFFFAOYSA-N 366.849 1.239 0 40 FDAB CCCc1cc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)sc1C 107610642 HACFCUUQIRPHLG-UHFFFAOYSA-N 365.499 1.820 0 40 FDAB O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)NCC(F)(F)F 57007664 DYHFDLXBRNHTOP-UHFFFAOYSA-N 366.723 1.910 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccn2)CC1 76161711 NTAINMBINRUYJF-UHFFFAOYSA-N 363.439 1.879 0 40 FDAB CC1(C)CCCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)C1 20459319 AUAUBLUCGFGHIY-OAHLLOKOSA-N 352.456 1.862 0 40 FDAB CCOC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)c1 58194601 RAMXLBZPXBLWPM-UHFFFAOYSA-N 354.428 1.106 0 40 FDAB O=C1NCCN(S(=O)(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 58194753 CIACQJLOPQKRIM-OAHLLOKOSA-N 352.362 1.827 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 58200958 LSMCKAUXSRDEQD-UHFFFAOYSA-N 368.478 1.929 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 10104787 BPYZXLXTQXINOO-UHFFFAOYSA-N 369.425 1.312 0 40 FDAB C[C@H](OCc1ccccc1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 58357268 DBNINVDCWHLGPD-HOCLYGCPSA-N 373.405 1.877 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(c3nccs3)CC2)C1=O 11188151 ICPRVAVMZWEDFB-ZDUSSCGKSA-N 372.450 1.606 0 40 FDAB CCCOc1ccccc1NC(=O)CCn1cnc2c(cnn2C)c1=O 11240442 PBIFAFFQWHIYJU-UHFFFAOYSA-N 355.398 1.948 0 40 FDAB Cc1cccn2c(=O)c3cc(C(=O)NCC(=O)OC(C)C)n(C)c3nc12 2440026 FRUHLQXVQFXJAZ-UHFFFAOYSA-N 356.382 1.176 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2ccccc2C(=O)O)C1=O 12785720 PTIDUNZAPXMXFB-OAHLLOKOSA-N 351.384 1.229 0 40 FDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1n[nH]c(=O)c2ccccc12 11528572 ZMVRUAPHQWWNTD-UHFFFAOYSA-N 366.377 1.551 0 40 FDAB O=C(COCCOc1ccccc1)NCCNC(=O)COc1ccccc1 48300837 KLTRERIKOAGSIZ-UHFFFAOYSA-N 372.421 1.393 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 3469173 ZSIRSNFLPNQVLP-UHFFFAOYSA-N 358.398 1.882 0 40 FDAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 8851943 NJNBFRYDBJASML-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB Cc1cccn2c(=O)c(/C=C3\SC(=S)N=C3O)c(NCCO)nc12 4193212 VNVDCLXCOCRQML-YFHOEESVSA-N 362.436 1.736 0 40 FDAB O=C(CSc1nccc(-c2ccc3c(c2)OCO3)n1)N1CCOCC1 8867321 UOOQHLXYYUFFAQ-UHFFFAOYSA-N 359.407 1.823 0 40 FDAB O=C(O)C[C@]1(C(=O)O)CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1O 96318897 YEBVCWDLKFOAJG-BONVTDFDSA-N 367.404 1.925 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14110156 YZCCNFZTBSMCEK-XQQFMLRXSA-N 368.455 1.192 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)c2ccccc2N1 4772534 HNVISEIHVGIICW-UHFFFAOYSA-N 356.359 1.940 0 40 FDAB O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccco1)Nc1cccc(Cl)c1 9184528 TTYXNUHSJVVWCL-CYBMUJFWSA-N 361.785 1.902 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)no1 6945868 QUQXHAUHMBANKN-UHFFFAOYSA-N 368.349 1.435 0 40 FDAB COCc1cc(=O)n(CC(=O)N2CCc3ccccc32)c(N2CCCC2)n1 67257013 AMMRWMASPZAEOY-UHFFFAOYSA-N 368.437 1.579 0 40 FDAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCOCC2)cc1 9238785 ZCIIVUBTOXKPOV-HUUCEWRRSA-N 359.455 1.513 0 40 FDAB Cn1nc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)ccc1=O 7988407 GJGICAHPPYGIDO-UHFFFAOYSA-N 371.422 1.479 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8065503 CEWYORZIMBNIFF-QMMMGPOBSA-N 361.229 1.708 0 40 FDAB CC(C)Cn1cc(C(=O)NS(=O)(=O)N2CCOCC2)c2ccccc21 72310659 MVUYZXCIPBZOOL-UHFFFAOYSA-N 365.455 1.604 0 40 FDAB 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C=CC(=O)Nc1ccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 1567867408 GWSJJIPSYFZUQY-LBPRGKRZSA-N 369.343 1.952 0 40 FDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Cc1ccc(F)cc1 224360711 ITHCZIYCRUVBMH-UHFFFAOYSA-N 359.405 1.700 0 40 FDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCC3)s2)cc1 224078852 KHDBQACXQYMKJX-UHFFFAOYSA-N 352.441 1.883 0 40 FDAB COc1ccc(Br)cc1CNC(=O)N[C@H]1C(=O)NCC[C@@H]1C 193818871 QCJKQSAURDBGTK-TVQRCGJNSA-N 370.247 1.782 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225522170 KLUWYNCBQMFSKD-UONOGXRCSA-N 368.437 1.753 0 40 FDAB CN(C[C@H]1CCCN(C(=O)c2snnc2C2CC2)C1)S(C)(=O)=O 329738452 UGGIUNQGFYFTQY-SNVBAGLBSA-N 358.489 1.159 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 85473593 YIVFYTDHDMMBNE-STQMWFEESA-N 365.455 1.075 0 40 FDAB CCN1C(=O)COc2ccc(S(=O)(=O)NC3CCC(O)CC3)cc21 227161854 JSKHKUCREFFMMH-UHFFFAOYSA-N 354.428 1.014 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O 77100148 UCOYYBWTVYKKGJ-UHFFFAOYSA-N 374.426 1.459 0 40 FDAB Cc1ccc(N2CCOC[C@@]3(CCCN(Cc4nccn4C)C3)C2)nn1 96229177 SXZIGSWPPKECCU-LJQANCHMSA-N 356.474 1.638 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96066127 FDGMSBNGTCJMQS-KFKAGJAMSA-N 359.470 1.698 0 40 FDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)Cc2ccccn2)CC3)cn1 96069744 GFHCEGCRFJCFTJ-INIZCTEOSA-N 353.426 1.023 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCc1ccccn1 96208067 GYRWYKRGGVEFIO-QXAKKESOSA-N 352.438 1.772 0 40 FDAB O=C(c1ccncc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047086 SIRGZKGRBRKSBX-LJQANCHMSA-N 351.410 1.640 0 40 FDAB CC(=O)N1CCC2(CC1)CC1(CCN(c3ncccn3)CC1)C(=O)N2C 96262354 YJKZAXDUXAQTTB-UHFFFAOYSA-N 357.458 1.306 0 40 FDAB C[C@@H]1C(=O)[C@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3O 95100261 GPITUBGISIVOSF-JPSRGRQNSA-N 352.471 1.118 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 96043361 PRLFQACWSHYZBI-IXDOHACOSA-N 353.426 1.737 0 40 FDAB OC[C@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 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643825737 XZFVTUVKFYDDPH-FQEVSTJZSA-N 359.470 1.779 0 40 FDAB COc1ccc(CC(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@H]32)cc1F 1615590120 ZESXGBWLTCMGFI-YCPHGPKFSA-N 350.390 1.223 0 40 FDAB CCS(=O)(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096107 RNAJYIPIYRTMTG-CQSZACIVSA-N 368.484 1.010 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)Nc2ccccc2)nn1 1549161324 KCVXQMMGPCGUCD-SQWLQELKSA-N 359.430 1.526 0 40 FDAB COC(=O)c1ccc(OC)c(Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000133 ORQONHWQZUALHH-UHFFFAOYSA-N 354.362 1.544 0 40 FDAB O=C(CN1CCCCCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 12145858 NXGPEEJMSCTVDQ-UHFFFAOYSA-N 369.469 1.831 0 40 FDAB C[C@@H]1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CC[C@@H]1O 19497758 MQGHKLWIBFAJMY-ZFIHFTKLSA-N 372.465 1.967 0 40 FDAB Cc1nn(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(C)c1C 19556392 MOZIJUBETXAQCN-MRXNPFEDSA-N 368.485 1.602 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 244942710 CVYXRTCFPRFPKN-KKUMJFAQSA-N 366.487 1.541 0 40 FDAB CCc1cnc(N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)nc1 1888859988 IUHLYBVBNBXWNR-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)OC(C)(C)C)C2=O 14675912 UAKVPFORDBNVTL-GTNSWQLSSA-N 354.403 1.372 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc(O)nc(O)n2)CC1 1775995313 NMICEIMVFFUSOR-UHFFFAOYSA-N 366.780 1.572 0 40 FDAB Cc1ncnc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)c1C 2056224602 YPWVEEBCFIBHDO-INIZCTEOSA-N 369.494 1.978 0 40 FDAB O=C(c1cc[nH]n1)N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1 1565555294 WLEXBTJFSHMMRX-CQSZACIVSA-N 352.441 1.151 0 40 FDAB CC(C)(C)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007685 WMJCRIIPYIUGMN-UHFFFAOYSA-N 371.437 1.598 0 40 FDAB CC(C)NC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340162 NGVFWNRLZJLAJL-UHFFFAOYSA-N 359.835 1.343 0 40 FDAB COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1 7419006 UXGGRIVKYOVPSW-UHFFFAOYSA-N 369.381 1.599 0 40 FDAB O=C(CCc1ccccc1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729892 YQMFRPLPFGZCTJ-IAGOWNOFSA-N 369.465 1.848 0 40 FDAB CC(=O)Nc1ccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 49482832 YTNGYELTHDZWAT-UHFFFAOYSA-N 364.365 1.725 0 40 FDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(=O)c2ccccc2o1 225803799 ULXTZTBSDVTQPP-UHFFFAOYSA-N 364.317 1.461 0 40 FDAB C[C@H](CN(C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 19455919 OMKCYIINUUUFDC-CABCVRRESA-N 364.490 1.157 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)cc1 75155778 FLYLFUFBDNQBIO-FQEVSTJZSA-N 368.389 1.362 0 40 FDAB O=C(NC[C@H]1COCCO1)c1occc1CS(=O)(=O)c1ccccc1 40156062 QNJFZZRELHEANX-AWEZNQCLSA-N 365.407 1.399 0 40 FDAB CN(CC(=O)OCC(=O)N(Cc1ccccc1F)C1CC1)c1ncccn1 31660295 BEJLPYYNNIHDST-UHFFFAOYSA-N 372.400 1.786 0 40 FDAB O=C(Cc1ccccc1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 20736299 JVPIXTJUMALNEA-QGZVFWFLSA-N 365.433 1.515 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@H]3CCSc4ccccc43)cnc21 11742038 UJWZQDQVBVXXSI-AWEZNQCLSA-N 369.450 1.873 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC[C@H](O)C1 29695496 RZSLTTCNNHYSNU-SFHVURJKSA-N 356.470 1.621 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 812557 YRWRAEBLAZLGRD-QGZVFWFLSA-N 360.391 1.471 0 40 FDAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CC[C@H]2NC(=O)NC2=O)cs1 32843024 OWDZSFYUMHHCLJ-CYBMUJFWSA-N 370.434 1.996 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccc(Br)c1 4697526 FIMAFPQESYXHQJ-KGOITJQVSA-N 361.195 1.901 0 40 FDAB COCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683741 HDXUYBQLEMAVOH-CQSZACIVSA-N 360.863 1.646 0 40 FDAB COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 8288832 XDYUAKOOIMNVNQ-UHFFFAOYSA-N 366.370 1.529 0 40 FDAB O=C(O)[C@H]1[C@@H](C(=O)O)[C@]23CCCC2=C2CC[C@]3(C(=O)O)[C@@]3(C(=O)O)C[C@]213 100136168 WDFFTASVTGENSX-PRQJJUASSA-N 362.334 1.208 0 40 FDAB in-vitro COc1cccc(N2CCC[C@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)c1 175527311 MGOAYXVCCSCFBW-CVEARBPZSA-N 374.485 1.961 0 40 FDAB O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 2653808 IIBQMNPUMYJOFA-UHFFFAOYSA-N 365.842 1.882 0 40 FDAB CCN(CC)S(=O)(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 42169669 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COC(=O)[C@]12[C@H]3[C@@H]4CC[C@H]5OC(=O)[C@]16[C@@H]1[C@H]([C@H]3[C@H]6[C@H]45)[C@@H]2[C@H]2C(=O)CC[C@@H]21 104285473 OBSYNFQRTLYMIV-BZIJCDRKSA-N 354.402 1.444 0 40 FDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 3341642 YCXXSXHEWBMDDK-ZDUSSCGKSA-N 372.425 1.717 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(CC(C)C)s1 52585470 FKCATPTWGWVYJD-LLVKDONJSA-N 360.505 1.879 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC(C)(C)C)cc1C 28209726 JZNFTISAILDOII-CYBMUJFWSA-N 368.455 1.598 0 40 FDAB CC1(C)NC(=O)N(CCn2cc(C(F)(F)F)cc(Cl)c2=O)C1=O 28006731 XWADLODLAIWXEE-UHFFFAOYSA-N 351.712 1.851 0 40 FDAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccsc1 36398643 FGWXEGOSSONNLU-NWDGAFQWSA-N 363.405 1.878 0 40 FDAB CC(C)c1ccc(-n2nnnc2SCc2nc(N)nc(N(C)C)n2)cc1 11058079 OOMLPJVRKUXMKG-UHFFFAOYSA-N 371.474 1.911 0 40 FDAB CCOCCCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccccc3)sc21 48311240 FSIKQDNTFCYXTH-UHFFFAOYSA-N 373.434 1.991 0 40 FDAB O=C(Nc1ccccc1N1CCCC1=O)c1cnc2n(c1=O)CCS2 12853775 VQDLEWCDCDRSMF-UHFFFAOYSA-N 356.407 1.728 0 40 FDAB CCOC(=O)CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)OCC 12874755 CXJNJJKHSNZRGR-SWLSCSKDSA-N 369.389 1.984 0 40 FDAB CCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4038381 DGZRLPIYVVYWGT-UHFFFAOYSA-N 367.453 1.902 0 40 FDAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14240469 HEKPMZJIMIJXMR-UHFFFAOYSA-N 366.414 1.884 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 5559327 WCFFPIFEFFPDQP-AWEZNQCLSA-N 367.352 1.775 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 8752609 DILCVSLPZFSNKP-PELKAZGASA-N 355.847 1.784 0 40 FDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928188 APVGPFDESPEZGP-UHFFFAOYSA-N 365.842 1.882 0 40 FDAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(F)c1 7248359 LMPAILSGQJESAW-NSHDSACASA-N 367.439 1.799 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCc1ccccc1F 7273005 NWVQLCHZTIUOFN-UHFFFAOYSA-N 355.369 1.578 0 40 FDAB CC(C)Oc1ccccc1CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67645031 YSIUOORMBMCTPK-HNNXBMFYSA-N 369.487 1.697 0 40 FDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 7304897 RQXMOEWHVJAXFA-NSHDSACASA-N 352.334 1.614 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NC(=O)NC1CCCC1 15808926 AQFWBYNBSZXCPD-GFCCVEGCSA-N 371.397 1.581 0 40 FDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 7781482 JATYLLXWKXAPMC-LLVKDONJSA-N 358.826 1.877 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1 7768834 HXTWLMXKDFZLSJ-UHFFFAOYSA-N 364.427 1.063 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)OCc1cc(=O)n2ccccc2n1 18963299 DJDCYEKEEVXNNR-UHFFFAOYSA-N 365.345 1.736 0 40 FDAB NC(=O)c1ccc(COC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 16126781 LPFFFSHUGWAALU-UHFFFAOYSA-N 362.407 1.109 0 40 FDAB CCNC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 7987218 GCHUEWOJXYAULR-UHFFFAOYSA-N 364.405 1.311 0 40 FDAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 8982127 XXDVAPRHXPOZOE-LBPRGKRZSA-N 362.407 1.826 0 40 FDAB C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ncnc2nc[nH]c12 9335891 OYZQRHBYGITUEG-ZETCQYMHSA-N 360.761 1.773 0 40 FDAB COCCN1C(=O)N[C@H](c2cccc(OC)c2OC)C(C(=O)OC)=C1C 9337377 NSKLFBRIQUNIPD-OAHLLOKOSA-N 364.398 1.864 0 40 FDAB CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19889805 VGQKQEODWRJAKL-AWEZNQCLSA-N 369.462 1.000 0 40 FDAB CCN1CCN(CCCNC(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 72012852 RTRXNAKBUMDJQV-UHFFFAOYSA-N 355.486 1.938 0 40 FDAB Cn1ncc(Br)c1-c1nn2c(-c3cnccn3)nnc2s1 72401290 WDAVRGCRMYMDFT-UHFFFAOYSA-N 363.204 1.806 0 40 FDAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccncc2O)n1 79054926 JSAFVPLCNAUWSX-UHFFFAOYSA-N 368.353 1.664 0 40 FDAB Cc1ncc(CN2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)s1 95401452 AYEKRSVKVSPBGI-QGZVFWFLSA-N 374.514 1.498 0 40 FDAB COC(=O)c1cn([C@@H]2CCN(Cc3noc(-c4ccccc4)n3)C2)nn1 95940588 IFUJUWHONFINQP-CYBMUJFWSA-N 354.370 1.562 0 40 FDAB CN(C)c1cc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)ccn1 42480936 KCHYSSRSVDIWSU-INIZCTEOSA-N 359.474 1.692 0 40 FDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O 89753973 RTAXGHPNDCUDKI-LDYMZIIASA-N 355.188 1.138 0 40 FDAB O=C(Cn1c(O)nc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccccc1 8994059 MIELMRRMRQVLQY-OAHLLOKOSA-N 353.334 1.044 0 40 FDAB biogenic Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2nccs2)s1 408684999 KUPMYHOCJJWGMW-UHFFFAOYSA-N 369.428 1.594 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 33938625 VYHKUBZGMLCDIP-XLPNERPQSA-N 360.410 1.282 0 40 FDAB CN(C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccc(F)cc1 509105406 BFCSHEMLNWMSDW-CYBMUJFWSA-N 357.451 1.985 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccccc2-c2ccno2)C(C)(C)C1=O 548294895 ZLAAFXRFSZVEPA-UHFFFAOYSA-N 363.439 1.973 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccnc(N(C)C)n2)C1 548674101 WIGBWPIHBSQATM-KRWDZBQOSA-N 360.487 1.545 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1OC 408586255 MVBOPXVVHXOLPQ-UHFFFAOYSA-N 371.459 1.590 0 40 FDAB NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cn1 532445405 SIWKQXPLYCANQG-UHFFFAOYSA-N 359.773 1.616 0 40 FDAB O=C(c1cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n[nH]1)N1CCOCC1 72380507 FJPIOOJFCOTXGS-HNNXBMFYSA-N 360.458 1.778 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 218108582 QLIXGLJMKAXNKZ-OTWHNJEPSA-N 361.463 1.881 0 40 FDAB CN(Cc1ccccc1Cl)C(=O)CCn1cnc2c(cnn2C)c1=O 40033499 RAGNQYBESHNVDT-UHFFFAOYSA-N 359.817 1.832 0 40 FDAB CCCCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41334372 ONUDMKIGYJGMEK-UHFFFAOYSA-N 353.488 1.543 0 40 FDAB COc1cncc(O[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 225499515 GKMGLUVUJSIRFW-CQSZACIVSA-N 371.393 1.826 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccs2)cc1 77115598 ASBVDDRVRGVICE-ZDUSSCGKSA-N 362.407 1.713 0 40 FDAB CCOC(=O)CN1C(=O)N[C@](CC)(c2cc(OC)ccc2OC)C1=O 94993305 DEQPUSIAXMOUQJ-QGZVFWFLSA-N 350.371 1.424 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccncc1)C2 96050267 OHNYGMPSUXUXOH-FQEVSTJZSA-N 368.412 1.784 0 40 FDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 230216549 KRDFPENFDWKNCS-KCQAQPDRSA-N 364.442 1.580 0 40 FDAB CC(C)N1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)C[C@@]2(C)CO)C1 514288454 AHAGMXRRBMQNBP-HKUYNNGSSA-N 365.905 1.941 0 40 FDAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCOCC1 96223671 SCXLFQLRCXRXKY-AWEZNQCLSA-N 365.817 1.399 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1CCCCC1)C2 96238067 OLIVZVCUOPEBTR-HXUWFJFHSA-N 356.470 1.911 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3c[nH]c(O)n3)CC[C@H]21 257268524 MMCHBWQVKXGAFV-BFYDXBDKSA-N 354.410 1.592 0 40 FDAB CCN(CC)S(=O)(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257340363 ZFRMKFYIIBNQAV-QLFBSQMISA-N 353.492 1.210 0 40 FDAB C[C@@H]1CN(c2cc(Cl)ccc2Cl)CCN1Cc1nc(=N)[nH]c(=N)[nH]1 585138556 AVMVEYAVTCFIHQ-SECBINFHSA-N 368.272 1.714 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 257203865 ARZILKHSUQMVIM-AWEZNQCLSA-N 353.386 1.028 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccccn2)C3)n1 253601030 HKEYERHZAXXUSA-MRXNPFEDSA-N 354.410 1.562 0 40 FDAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)on1 257212307 CCTKZBPTVNDQCG-GOSISDBHSA-N 359.430 1.424 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)cn1 257317668 VKRSMXGNSLFSRV-BDXSIMOUSA-N 360.385 1.591 0 40 FDAB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCC1)C2 604381763 NJPULRANELLPGD-QGZVFWFLSA-N 373.472 1.979 0 40 FDAB biogenic,in-vitro Fc1cnc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc1 546759598 JLFBNAZLMRYUCI-UHFFFAOYSA-N 368.298 1.399 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 619289819 MFMUAUXHNFCWOE-SUMWQHHRSA-N 354.414 1.600 0 40 FDAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 631957459 USNMFDSJLHWFNJ-XCDZQEORSA-N 364.511 1.504 0 40 FDAB COC1(c2nnc(N3CCN(c4ccccc4)CC3)n2C)CCOCC1 668902842 HMTKSDVWXKRPKG-UHFFFAOYSA-N 357.458 1.794 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)OCCO)cc1 96338223 XTDQDZWIHSOSSX-SFHVURJKSA-N 374.412 1.617 0 40 FDAB CN(C)N(C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575421829 RWHMIEMNYPPZIM-MSOLQXFVSA-N 360.479 1.713 0 40 FDAB O=S(=O)(NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 585112125 MEXVBCOFGYIVQC-CQSZACIVSA-N 352.485 1.583 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@@H]12 585109426 OOSGEYOBTPUHLA-LMMKCTJWSA-N 354.406 1.754 0 40 FDAB CN(C)CC(=O)N1CC(F)(F)C[C@]2(CCN(c3cccnc3)C2=O)C1 585093056 DBQZDRMHZFATKG-MRXNPFEDSA-N 352.385 1.234 0 40 FDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3cnn(C)c3)CC[C@H]21 585290890 XIZHFEHOTQRIKH-YMPXZSTISA-N 360.458 1.309 0 40 FDAB CC(=O)N1CCC(O)(CN2CCCC[C@@H]3CN(C(C)=O)CC[C@@H]32)CC1 585282930 BVWWPTAODRBLJS-MSOLQXFVSA-N 351.491 1.083 0 40 FDAB CN(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2nnc(O)n2C)cn1 685942441 QGIGEJYZBXLVKD-TZMCWYRMSA-N 358.446 1.513 0 40 FDAB CCCN1CCC(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 55298117 UJLCZKLOYUZGPH-UHFFFAOYSA-N 374.528 1.585 0 40 FDAB CC(C)N1CCC(N2C[C@@H](O)[C@H](n3ccc4c(C(N)=O)ccnc43)C2)CC1 1615157640 PHNUWPAACHBBLW-QZTJIDSGSA-N 371.485 1.226 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(NC(=O)c2ccco2)cc1 5561206 SEFJYPQRPPPFHP-UHFFFAOYSA-N 357.322 1.241 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 13002964 WZRZGSXSNSKBTR-KBPBESRZSA-N 352.412 1.590 0 40 FDAB C[C@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)NC1=O 19460264 QCZSJHKFADFZFD-GOSISDBHSA-N 363.389 1.574 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc(O)c1F 1888863783 PKFXSSXNQCWHJE-PHIMTYICSA-N 361.352 1.372 0 40 FDAB Cc1cnc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)cn1 1888866843 FMHXVPUDBOSSFC-UHFFFAOYSA-N 358.377 1.260 0 40 FDAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nc2ccccc21 1888904131 XXYGBWGZVARCPB-OKILXGFUSA-N 365.441 1.944 0 40 FDAB Cn1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1 498051097 PIHPWKGGBBOCDU-OAHLLOKOSA-N 358.446 1.852 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1 2689093 HQBQRDHEHQHSSN-UHFFFAOYSA-N 370.438 1.799 0 40 FDAB aggregator O=C(NCc1n[nH]c(=O)c2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1 5313371 MFSNZIDPXWHXSD-ZDUSSCGKSA-N 362.389 1.592 0 40 FDAB COC(=O)CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 7345328 QPYKTIDZPODPSX-UHFFFAOYSA-N 353.381 1.784 0 40 FDAB Cc1cc(NC(=O)COc2ccccc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 7421166 ODOMRCLLOFYCMO-UHFFFAOYSA-N 353.382 1.898 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n(C)n1 11694292 VGXNQJIPCIQSGN-LBPRGKRZSA-N 368.484 1.829 0 40 FDAB COc1ccc(NC(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)cc1 11765216 HXCXNXLBSKZZTM-UHFFFAOYSA-N 373.413 1.857 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1cccnc1 12422926 WZAKGTJGGLGRAA-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(C(=O)CC2=CCCCC2)CC1 2055704309 HKHBOEZQPHOKFX-UHFFFAOYSA-N 374.485 1.854 0 40 FDAB O=S(=O)(NCC1(N2CCOCC2)CCSCC1)c1cccs1 1775977575 IXNMMZWXFQAWIC-UHFFFAOYSA-N 362.542 1.624 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1-n1cnnn1 100220918 GFBDKURKSRSNIN-UPJWGTAASA-N 363.443 1.385 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4scnc4C)nnc23)n1 225748270 LOTYBUGEDVINIV-UHFFFAOYSA-N 355.383 1.783 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CC(OCC(F)(F)F)C1 390829285 DHFMQYRVLHVKGU-UHFFFAOYSA-N 353.347 1.643 0 40 FDAB O=C(c1cnc(O)[nH]1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 585342136 LJQHFBAFWCOKRR-VIFPVBQESA-N 368.191 1.351 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccncc4)nc32)c1 5271207 UDNDPBBZKMUVAC-UHFFFAOYSA-N 362.349 1.278 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnn2c1OCCC2 90627151 PMRZREYVGNFPQD-INIZCTEOSA-N 368.393 1.661 0 40 FDAB COc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63376340 DSHWTOUMUAYBAM-HOTGVXAUSA-N 352.456 1.165 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 40108771 WXGICXIYTMGMKB-UHFFFAOYSA-N 366.425 1.830 0 40 FDAB Cc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29675188 QPNDQKYBEVXEAX-GOSISDBHSA-N 372.513 1.952 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904687 ITXYVTXANBQIBQ-LBPRGKRZSA-N 374.484 1.447 0 40 FDAB CCn1c(NC(=O)CCn2cnc3c(cnn3C)c2=O)nc2ccccc21 21469269 CSMFMKLWVLBWPB-UHFFFAOYSA-N 365.397 1.528 0 40 FDAB O=C(C[S@@](=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 32801467 ZTJMMWLQYUVRLU-AREMUKBSSA-N 374.393 1.809 0 40 FDAB CCCN1C(=O)[C@@]2(Cc3c(F)cccc3N3CCC[C@H]32)C(=O)NC1=S 3338834 WMWIRVSEZOAZMS-KBXCAEBGSA-N 361.442 1.990 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)N3CCOCC3)c12 29962220 VTDVRLPSMWAHPS-LBPRGKRZSA-N 357.458 1.605 0 40 FDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Br)cc3F)[C@H]2C1 6673587 IRKGYSQUAMSPPE-WPRPVWTQSA-N 365.249 1.448 0 40 FDAB Cc1cc(CNC(=S)NC(=O)[C@@H](C)n2cc(Cl)c(C)n2)n(C)n1 8782476 RFYCLXUFIGKGBP-SNVBAGLBSA-N 354.867 1.639 0 40 FDAB CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 647522 PZAQDCLCYFCTFF-UHFFFAOYSA-N 350.831 1.857 0 40 FDAB Cc1cc(C)c(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)c1 22934894 FADLFYHNMGDFIQ-UHFFFAOYSA-N 358.486 1.447 0 40 FDAB CNC(=O)c1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 57723946 UFXMJPLLNTVQIW-UHFFFAOYSA-N 365.389 1.948 0 40 FDAB Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccccn3)CC2)cc1C 12420475 IJMPXQBYIZKLGF-UHFFFAOYSA-N 374.510 1.799 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 78493894 UQSPTCJDGBIYBN-CYBMUJFWSA-N 362.430 1.125 0 40 FDAB CCN1[C@H]2CCN(C(=O)NC)CC[C@@H]2Oc2ccccc2S1(=O)=O 107184370 NDNJMJBNFWWWAY-STQMWFEESA-N 353.444 1.262 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1C[C@@H](C)C[C@@H](C)C1 24986994 GMHFCJYPNIQJDL-OKILXGFUSA-N 362.474 1.352 0 40 FDAB COc1ccc([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1F 25451236 VOUKRUUJYIDWRZ-NSHDSACASA-N 358.435 1.683 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420633 OWDXQNUTULMXQF-QCUYGVNKSA-N 360.410 1.370 0 40 FDAB CC(=O)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 101231683 WPXOSXRZINNFBH-UJWMZTGESA-N 365.385 1.848 0 40 FDAB COC1=CC=C[C@]23[C@H]4[C@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@]12[C@@H]3[C@@H]65 104283607 BOWYCMTYIOCWHB-SHQMSWGTSA-N 359.385 1.489 0 40 FDAB C[C@@H](Sc1nc2ncccn2n1)C(=O)N1CCN(c2ccccc2)CC1 10078247 DVWOLVAGIXFHRM-CQSZACIVSA-N 368.466 1.954 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCC(=O)N1CCNC1=O 58200824 LZNCGCBOVWFMEY-CYBMUJFWSA-N 358.442 1.831 0 40 FDAB O=C(CN1C(=O)NC2(CCC2)C1=O)Nc1ccccc1Br 58355393 JTWMRLBVXUKDJG-UHFFFAOYSA-N 352.188 1.862 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1sccc1S(=O)(=O)N1CCCCC1 10569282 VPYSFVCWMAYULV-JTQLQIEISA-N 359.425 1.395 0 40 FDAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1 408621502 SIQPOPYWVFCBTL-UHFFFAOYSA-N 350.444 1.164 0 40 FDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 3341644 YCXXSXHEWBMDDK-CYBMUJFWSA-N 372.425 1.717 0 40 FDAB CCn1ccc(NC(=O)c2cc(C(=O)Nc3ccn(CC)n3)n(C)n2)n1 36617939 LEOLQQBRAIKWJB-UHFFFAOYSA-N 356.390 1.358 0 40 FDAB CCn1c(=O)n(CCC(=O)NCc2ccnc(OC)c2)c2ccccc21 48326494 FPXFKBLJJKSLLX-UHFFFAOYSA-N 354.410 1.933 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(F)cc1 3442765 SZWWVCOTQAAEFN-UHFFFAOYSA-N 361.373 1.218 0 40 FDAB O=C(c1ccncc1)N1CCCN(C[C@H](O)COc2ccccc2)CC1 76199049 HYNRTPCFRQDENW-SFHVURJKSA-N 355.438 1.669 0 40 FDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5055118 QOCNNZXRBPORFJ-AWEZNQCLSA-N 350.718 1.258 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 5018553 MAAXFOJRYHAOBS-CQSZACIVSA-N 370.471 1.309 0 40 FDAB CCOC(=O)c1c(NC(=O)CNC[C@H]2CCCO2)sc(C(N)=O)c1C 6578834 UURUZPABZQVTSV-SNVBAGLBSA-N 369.443 1.039 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(F)cc2)NC(=O)N[C@H]1C 5668181 DVWMDLKZUGQUAO-LAHYYIKRSA-N 362.357 1.901 0 40 FDAB O=C1N=C(O)C2(C(=O)N1)[C@@H](c1ccccc1)NC(=O)N[C@@H]2c1ccccc1 9046115 QJZZISOREAJUOC-ZIAGYGMSSA-N 364.361 1.975 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)NC2=NCCS2)c1 71286770 UDUNDEBFTYGEQQ-RYUDHWBXSA-N 361.423 1.815 0 40 FDAB Cc1c(C)n(CCN2CCOCC2)c2ncn(Cc3ccncc3)c(=N)c12 9422180 XQANNQOCDOUNMA-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB CCN(C(=O)CSc1nnc(C2CC2)n1CC)[C@@H]1CCS(=O)(=O)C1 8185624 QFKBYQUJEIVTBG-GFCCVEGCSA-N 372.516 1.303 0 40 FDAB O=C(NCc1ccco1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 35876932 CHWQZRDDUSGKFB-LJQANCHMSA-N 367.449 1.849 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)cc1 20012932 FOTNCPBMCYGPQN-UHFFFAOYSA-N 366.414 1.771 0 40 FDAB CC[C@@H](On1nnc2ccc(C(=O)OC)cc21)C(=O)Nc1cc(C)on1 9515076 LSCQGUAMGLJYDA-CYBMUJFWSA-N 359.342 1.360 0 40 FDAB COC(=O)Cn1cc([C@@H](C)OC(=O)c2cnn(Cc3ccccc3)c2)nn1 84667480 ZRBCTXAKDOFTKO-CYBMUJFWSA-N 369.381 1.614 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C)CC1 20061517 WFQWUJBNPRLDID-UHFFFAOYSA-N 365.499 1.557 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ncc3c2C[C@@H](O)CC3)c1 95941881 AEXLMHSAYQALFK-OCCSQVGLSA-N 359.426 1.627 0 40 FDAB COC(=O)c1cnc(NCc2ccccc2S(=O)(=O)N(C)C)cn1 95966808 HLTWDGZOAISFPZ-UHFFFAOYSA-N 350.400 1.126 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3CC=C(C(F)(F)F)CC3)cc2N1 89807664 CLKOAVWLZXQEOA-UHFFFAOYSA-N 362.329 1.901 0 40 FDAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408548134 DMAFMICUVNYTCU-VZUCSPMQSA-N 368.773 1.813 0 40 FDAB COC(=O)c1ccoc1CN1CCN(CC(=O)Nc2cc(C)on2)CC1 32894904 ICNSPMPBXLRBJM-UHFFFAOYSA-N 362.386 1.119 0 40 FDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC 5648561 IPVQLZZIHOAWMC-YXMSTPNBSA-N 368.474 1.941 0 40 FDAB biogenic C[C@@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326617 XWEJOPYXXXHMOO-BUXKBTBVSA-N 357.410 1.185 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc3c(c2)OCO3)n1 224179959 NORQMKKDGXUHLP-UHFFFAOYSA-N 371.397 1.672 0 40 FDAB COc1ccc(OCc2cn(CC(=O)NCc3cccnc3)nn2)cc1 227162859 ZEZYNEYGJPSLEQ-UHFFFAOYSA-N 353.382 1.577 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 225677518 QEQKNYBNCYUOSG-UHFFFAOYSA-N 370.452 1.174 0 40 FDAB CN(CC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 48325470 AOQBAXIJIUSNDS-UHFFFAOYSA-N 367.409 1.043 0 40 FDAB CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CC1=O 331509361 TXMPCAGKOYCSHK-ABAIWWIYSA-N 365.396 1.875 0 40 FDAB O=C(c1cocn1)N1CCOC[C@@H]1c1nccc(NC2CCOCC2)n1 96217479 VSMAVUZGUUPKPW-CQSZACIVSA-N 359.386 1.269 0 40 FDAB Cc1nc(C2CC2)ccc1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 578128383 JSIINTRXQIBWIX-GOSISDBHSA-N 356.470 1.692 0 40 FDAB CC[C@H](CO)NS(=O)(=O)c1ccc(I)c(C)c1 95945878 IXVNUNFEJSDFCL-SECBINFHSA-N 369.224 1.649 0 40 FDAB O=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96228390 VSRATAMYECEXIG-JXFKEZNVSA-N 369.469 1.836 0 40 FDAB N=c1[nH]cncc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 583621213 VHVCDTHZKHEUQU-RNCFNFMXSA-N 352.316 1.856 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)N1S(C)(=O)=O 96207237 MMHCLGULLCSUFG-HNNXBMFYSA-N 356.488 1.528 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)c(C)o1 248021576 LZSGWFZQGWPUMT-OAHLLOKOSA-N 367.467 1.952 0 40 FDAB CCOC[C@H]1CN(C(=O)Nc2ccc(F)cc2N2CCOCC2)CCO1 529121853 RCDHQWCWLJKJAL-OAHLLOKOSA-N 367.421 1.932 0 40 FDAB CCc1noc([C@]2(O)CCN(C(=O)NCc3ccc4cnn(C)c4c3)C2)n1 585085338 SRBPDFGVEOAMEP-SFHVURJKSA-N 370.413 1.322 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257270053 MSPBHZNJZFEMHS-LBPRGKRZSA-N 356.382 1.274 0 40 FDAB CC(=O)NC1CCN(C(=O)c2cccn(Cc3ccccc3F)c2=O)CC1 257283577 OYWZYOHZAJMVKN-UHFFFAOYSA-N 371.412 1.776 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257214913 CNYIPVCZCGVIBM-HYVNUMGLSA-N 354.458 1.732 0 40 FDAB Cc1nc2ccnn2c(C)c1C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 644187472 YVOPBQYBNATZMB-SUMWQHHRSA-N 354.414 1.967 0 40 FDAB O=S(=O)(CCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1 96026043 UOBOKRPRRBGQSP-LJQANCHMSA-N 361.463 1.905 0 40 FDAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575402947 FYAPWWUIVHUWIL-WBVHZDCISA-N 367.405 1.619 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575402941 FUPYOEHXMMTUDV-MRXNPFEDSA-N 354.472 1.878 0 40 FDAB O=S(=O)(NCC[C@H]1CCOC12CN(Cc1ccc(F)cc1)C2)C1CC1 585103442 WHUYENKVDCRNKX-HNNXBMFYSA-N 368.474 1.889 0 40 FDAB Cc1cnn(CCC(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)c1 585276748 IGEXAOZEJMZKMX-HXUWFJFHSA-N 357.454 1.723 0 40 FDAB CO[C@@H]1CCN(C(=O)Cn2cccnc2=O)C[C@H]1Cc1ccc(F)cc1 585275892 HXELXOMKKGZVHR-NVXWUHKLSA-N 359.401 1.489 0 40 FDAB CSCC[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1575970 YYUCTNWOJJIRAB-YPMHNXCESA-N 354.428 1.624 0 40 FDAB CCN1CCN(C(=O)c2cc(Br)cn2C)C[C@@]12CCOC2 1615589069 JFFGJCHLRUPIRM-OAHLLOKOSA-N 356.264 1.724 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 11866019 WJDGFJAUKBZEFZ-GFCCVEGCSA-N 350.378 1.985 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)ccc21 12238860 LADRSWYNLSXZAC-UHFFFAOYSA-N 359.407 1.880 0 40 FDAB CCc1ccc(C(=O)CCC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 12933676 XIHFQOPJKVVOJM-UHFFFAOYSA-N 357.414 1.789 0 40 FDAB COc1ncc(C(=O)N2CC[C@@H](c3cc(O)n4nc(C)cc4n3)C2)cn1 13226861 FMPGXTSMVBQHHR-LLVKDONJSA-N 354.370 1.172 0 40 FDAB Nc1nc(N)c2c(n1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 13570416 XPAPHGMNCROKTG-ZCFIWIBFSA-N 350.741 1.498 0 40 FDAB CC[C@@H](C(=O)NCCCn1ccnc1)N(c1ccccc1)S(C)(=O)=O 13711740 MTSXHEXKTITSRD-INIZCTEOSA-N 364.471 1.634 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(OCCN2CCCC2=O)c1 19659935 WBYZAPGYUQIYJO-MRXNPFEDSA-N 359.426 1.038 0 40 FDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)CC3)C1 19709495 ARCCTBAXEUAJCH-INIZCTEOSA-N 371.460 1.854 0 40 FDAB O=C(c1cccc2c1OCCO2)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888879558 DVMZIFRJTDVROM-OKILXGFUSA-N 352.394 1.456 0 40 FDAB Cn1cnc2c(N3CCC(COc4ccc5nccn5n4)CC3)ncnc21 1888904295 JLCUMZQHLTUWJX-UHFFFAOYSA-N 364.413 1.701 0 40 FDAB O=S(=O)(NC1CN(c2ncnc3ccsc23)C1)c1ccc(F)cc1 1888913090 GVHLEUBLYQFVSH-UHFFFAOYSA-N 364.427 1.998 0 40 FDAB Cc1ccc(CNC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 1888921858 XTNGITOWVZGWTI-MSOLQXFVSA-N 351.450 1.892 0 40 FDAB Cc1ccc(N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)nn1 1889085195 AQJTUKSQIQAENO-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB Cc1cnc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cn1 24923247 GKGMMORSGNGFPV-UHFFFAOYSA-N 355.398 1.308 0 40 FDAB CN1CCN(c2ncnc3[nH]cnc23)C[C@H](COCc2ccccc2)C1 2037843797 JWYYEDRRFOIGCX-MRXNPFEDSA-N 352.442 1.938 0 40 FDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CO1 1614933948 ITOJAXHJWODZFB-HNNXBMFYSA-N 354.495 1.043 0 40 FDAB CCc1ccc(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)cn1 1565548359 YBBGLJWVRNPODM-DOTOQJQBSA-N 353.426 1.411 0 40 FDAB CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518953 NGFPXDNJSKCLHE-OAHLLOKOSA-N 364.423 1.435 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1 11899037 VTOGLAGCLZCEGN-KRWDZBQOSA-N 371.441 1.341 0 40 FDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cnn(C)c2)C1 2055751155 NJESBNLEIXNHEA-FQEVSTJZSA-N 371.485 1.629 0 40 FDAB O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)NCc1ccccc1 26913519 LLYGPVWBONFDJG-KRWDZBQOSA-N 359.495 1.716 0 40 FDAB O=C(Nc1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 10408792 AFRUIEFUHBVXDF-UHFFFAOYSA-N 366.487 1.957 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1 40106462 FHQFFLGTJHEMIV-UHFFFAOYSA-N 350.396 1.465 0 40 FDAB CC/C(NCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20289067 YUTDMEULCHTRSK-BUHFOSPRSA-N 364.833 1.738 0 40 FDAB O=c1[nH]c(=O)n(Cc2ccco2)c2c1CN(CCc1ccccc1)CN2 20572517 CEDMWCVADJJXTF-UHFFFAOYSA-N 352.394 1.606 0 40 FDAB CCc1nn2c(=O)cc(CN(C)C[C@@H]3COc4ccccc4O3)nc2s1 32753412 NTSMIGMBWPCQIJ-CYBMUJFWSA-N 372.450 1.985 0 40 FDAB C[C@H]1CCCCN1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 2633886 ITGBPFLUTMWQLQ-AWEZNQCLSA-N 370.453 1.235 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102610091 MFKPYASVZNUPKO-FPCVCCKLSA-N 358.394 1.673 0 40 FDAB CCCn1nnc(NC(=O)c2ccc(I)cc2)n1 6593853 FDNAFLFVXQKYSM-UHFFFAOYSA-N 357.155 1.940 0 40 FDAB Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2cccs2)cc1 32999707 CXWJTJKMPIHNKX-UHFFFAOYSA-N 368.480 1.920 0 40 FDAB Cn1nnc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1 8053631 YUGBKUYXOGWHTQ-UHFFFAOYSA-N 352.423 1.855 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 41779031 UHQBASGQPCJKFY-HOCLYGCPSA-N 352.456 1.525 0 40 FDAB NC(=O)CN1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 10922311 SUPGVVURNFFUOU-UHFFFAOYSA-N 367.449 1.945 0 40 FDAB COCc1n[nH]c(-n2ccc3c(cnc4ncnn43)c2=O)c1-c1ccccc1 22606879 UPQOXKVLIUOOLB-UHFFFAOYSA-N 373.376 1.965 0 40 FDAB Cc1nc(CN2CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)cs1 22815111 PZFGMVWMBOPPQT-LBPRGKRZSA-N 353.492 1.192 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612536 BQVFDWVGLWYJAO-UHFFFAOYSA-N 372.462 1.520 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(N)=O)[C@@H]3C2=O)cc1 107174996 TUZPGQYZYBPBNB-WJFTUGDTSA-N 373.412 1.996 0 40 FDAB CS(=O)(=O)NCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 107297761 XUUNPZUCRFZFJT-UHFFFAOYSA-N 365.421 1.372 0 40 FDAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12634875 YMTWYEFGEIUFTK-MWLCHTKSSA-N 366.361 1.689 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 58193568 GZXBGHQADBNUMR-GFCCVEGCSA-N 370.519 1.598 0 40 FDAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 60389594 UYEORVCAWBSLTF-AAEUAGOBSA-N 352.818 1.997 0 40 FDAB CCOc1cc(CNCCNCCO)ccc1OCC(=O)NC(C)(C)C 22075880 YEMNCYMOYMHFRA-UHFFFAOYSA-N 367.490 1.050 0 40 FDAB Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1 3378664 LFEWCIUUNBUVRC-UHFFFAOYSA-N 351.362 1.995 0 40 FDAB COc1ccc(SCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 36386084 JLDODLCEKUZSEX-UHFFFAOYSA-N 351.472 1.020 0 40 FDAB COC(=O)[C@H](C)NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36358471 UCMWMZNBOSVSQK-NSHDSACASA-N 355.350 1.329 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 12790310 HRFUIJCJENJEBM-MFKMUULPSA-N 364.423 1.082 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 12804599 YKPLKXKLSCSORT-UHFFFAOYSA-N 371.349 1.669 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1 3496936 ACDNMXNAIQZNCY-UHFFFAOYSA-N 368.389 1.835 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 12933294 CMPRQWXLKLODRR-UHFFFAOYSA-N 366.464 1.688 0 40 FDAB Cc1cc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)no1 27985779 OKDKCFNXTLJEHV-NSHDSACASA-N 364.427 1.670 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)Cc2nnc3n2CCC3)c1C 12998792 OBOUAFPUCCKJSH-UHFFFAOYSA-N 364.427 1.360 0 40 FDAB Cc1ccnc2nc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)nn12 13020136 BHMKJFHIAOKRNC-ZDUSSCGKSA-N 362.397 1.847 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 5178224 IICPINOLSRZQEV-UHFFFAOYSA-N 370.434 1.710 0 40 FDAB Nc1nccnc1C(=O)OCc1nnc(-c2ccc(Br)o2)o1 14059611 FTKDTLURPSAFMF-UHFFFAOYSA-N 366.131 1.821 0 40 FDAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(N)=O 5326061 SMSJUQKMSARLDX-JTQLQIEISA-N 354.407 1.781 0 40 FDAB COc1cc([C@@H]2ON=C(CN3CCOCC3)[C@H]2C)c(OC)c2c1OCO2 15085701 PPQZOQYNQLDIDU-IAQYHMDHSA-N 364.398 1.828 0 40 FDAB NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCc2cccs2)c1 6915052 CAJOUXNZSNFKGY-UHFFFAOYSA-N 372.399 1.008 0 40 FDAB Cc1ccc(C)c(OCCn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 16117527 HWAKCSRIOSVAFB-UHFFFAOYSA-N 350.440 1.794 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 16206250 CIVGSXIWNWWOQD-AWEZNQCLSA-N 357.410 1.507 0 40 FDAB CN1CC[C@H](NCc2ccccc2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 306123773 AWJAUMPQCRFYIS-AZUAARDMSA-N 356.470 1.522 0 40 FDAB O=C(CNC(=O)C(=O)NCCC1=CCCCC1)Nc1ccc2c(c1)OCO2 8188418 SZJIYEPZNHFETR-UHFFFAOYSA-N 373.409 1.477 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC(C)C)c2cc(Br)ccc21 9183735 HGCCQHBFDAKKBN-LBPRGKRZSA-N 368.231 1.498 0 40 FDAB CNS(=O)(=O)CCN(Cc1ccncc1)C(=O)c1cccc(OC)c1 9302924 MPJKCYVFIHZQHN-UHFFFAOYSA-N 363.439 1.282 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2)C1=O 9483521 BMRQEMQOGMEFHK-LJQANCHMSA-N 353.378 1.954 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 9482024 IYIXEUJXLKZZFW-CYBMUJFWSA-N 365.455 1.324 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccs1 9447649 OSQHQSDOQUTQCE-NSHDSACASA-N 363.464 1.534 0 40 FDAB CCCC(O)(CCC)CNC(=O)C(=O)Nc1c(C)nn(CCOC)c1C 84740400 KZQVCXQWIYKAES-UHFFFAOYSA-N 368.478 1.532 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)CCNc1nc(Cl)nc2[nH]cnc12 95479013 WCJSBXGQLMVNFO-UHFFFAOYSA-N 362.825 1.475 0 40 FDAB COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc4c(c3)COCO4)C2)nn1 95940537 HKPKVOUNOOKVBW-CYBMUJFWSA-N 358.354 1.018 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)cc1 32647345 ANOGQBPGCYDYPX-UHFFFAOYSA-N 352.350 1.510 0 40 FDAB CC(=O)N[C@@H]1[C@@H](Oc2ccccc2Cl)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 33767025 YPELKAVYIVSDQP-LEOABGAYSA-N 371.817 1.461 0 40 FDAB Cc1cc(CNC(=O)[C@H](C)Oc2ccccc2)nc(N2CCOCC2)n1 224226959 QWJFHVYLXCAXHD-HNNXBMFYSA-N 356.426 1.705 0 40 FDAB Cc1nc2ccccn2c1-c1nnc2sc(CCN3CCOCC3)nn12 227144041 BTOKVDWWWSVFNE-UHFFFAOYSA-N 369.454 1.684 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)[C@@]12CCCO2 572701593 WBMNHCPUNJQREK-KURKYZTESA-N 368.499 1.753 0 40 FDAB CN1CCN(c2ncnc3c2CCN(C(=O)c2ccsc2)CC3)CC1 96255689 ORTFRRFZAXMDNS-UHFFFAOYSA-N 357.483 1.531 0 40 FDAB CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)OC[C@@H](CO)O1 96531632 HQOVZMQXQFBBDM-VXGBXAGGSA-N 351.218 1.054 0 40 FDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)C1 96076376 NNRHKJHPPUYTHI-FQEVSTJZSA-N 361.486 1.508 0 40 FDAB CNC(=O)N1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1 96264747 HLDMLYZPFWIIOY-UHFFFAOYSA-N 374.466 1.822 0 40 FDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 96223478 MHCAFLUVNWRRPQ-CZUORRHYSA-N 352.460 1.029 0 40 FDAB CN1CCN(C[C@@H]2CC[C@]3(COCCN(Cc4ccccc4)C3)O2)CC1 96160309 FPIFWDXHACCGHB-SFTDATJTSA-N 359.514 1.684 0 40 FDAB Cc1ccc(N2CCN(C(=O)c3noc(-c4ccc[nH]c4=O)n3)CC2)cc1 96125504 YYHHFOHXVPUXMF-UHFFFAOYSA-N 365.393 1.696 0 40 FDAB CN(C)C(=O)[C@]12CCCN(C(=O)CC3CC3)C[C@H]1CN(c1ncccn1)C2 96251221 GEUQKYASVPZUTR-JXFKEZNVSA-N 371.485 1.410 0 40 FDAB COC(=O)c1c(N(C)C(=O)[C@]2(C)Oc3ccccc3NC2=O)c(C)nn1C 95116723 GOWJFUYWOHFGSO-GOSISDBHSA-N 372.381 1.268 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)CN1c1ncccn1 96051821 UFROHMAXBBETGY-OAHLLOKOSA-N 368.441 1.414 0 40 FDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)n1 248133755 NXJUZPGQZXQAED-QGZVFWFLSA-N 373.457 1.647 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247888659 XQLXDSAYNYBPHP-CYBMUJFWSA-N 356.382 1.795 0 40 FDAB Cn1ccnc1CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257267265 MGOVSEKPOIJSPJ-MRXNPFEDSA-N 369.469 1.667 0 40 FDAB COc1ncc(CN2CC[C@@H](O)[C@@H]3[C@@H](C2)N(C)C[C@H]3c2ccccc2)cn1 257299336 RPPMJKKGIMRVBY-NMLBUPMWSA-N 368.481 1.766 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3ccn(C)n3)C2)cc1 257323757 WLSCPCREMARASS-LJQANCHMSA-N 358.442 1.138 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1 257267272 MGOZGORBKVIXFK-LLVKDONJSA-N 354.457 1.650 0 40 FDAB CCc1nccn1CCC(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 257258518 KUIMTWFEZDDFEI-QGZVFWFLSA-N 357.458 1.794 0 40 FDAB COCCn1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cn1 648055648 KOIWJYKIRFRMTD-IBGZPJMESA-N 354.454 1.735 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)c1 585111927 JIXJCOSZTMTQQA-KRWDZBQOSA-N 360.483 1.830 0 40 FDAB O=C(N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1)C1(F)CCC1 585113118 CYROWZRYHFBNBF-CYBMUJFWSA-N 350.394 1.105 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585112735 UREQVVYMIGMWSE-AWEZNQCLSA-N 370.425 1.658 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3ccccc3F)C2)C1 685941307 CFJHDKXQAOPWCB-WHGQRRHOSA-N 359.401 1.034 0 40 FDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccnc(N(C)C)c1 78621064 JONVUNLWWXTQKW-GFCCVEGCSA-N 362.455 1.628 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)c2c(C)n[nH]c2n1 653183685 IKQRXOBABQHDOA-DZKIICNBSA-N 357.458 1.933 0 40 FDAB NC(=O)C[C@@H]1CN(C(=O)c2ccc(O)nc2)CC[C@H]1Oc1ccccc1 1615144777 MKSSUSHYBCTJSO-GDBMZVCRSA-N 355.394 1.572 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615121006 LOTJVQPRZIQJSR-LJQANCHMSA-N 354.410 1.458 0 40 FDAB CCOc1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc3[S@@]2=O)cc1 5834523 WSIBVDIYOZHPHF-AKJBCIBTSA-N 372.402 1.721 0 40 FDAB COc1cc(CCC(=O)N2CCc3nc4ccsc4c(=O)n3CC2)on1 12253527 YXSLOJRXBLKCNL-UHFFFAOYSA-N 374.422 1.472 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(OC(F)F)cc1 12931966 SYRHQMLPSCRDEO-UHFFFAOYSA-N 370.377 1.996 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@H](C)C2)C(C)C)cc1 12997777 MKSZNKSILWANDG-GDBMZVCRSA-N 354.472 1.545 0 40 FDAB COc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1 16976181 FCJIUYJTLFPICN-UHFFFAOYSA-N 363.439 1.982 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCCN)CC2)C1 19019756 CCZBVWDHTHLOGT-FQEVSTJZSA-N 359.470 1.918 0 40 FDAB CCCC(=O)N[C@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 19228705 SZEUAESLXOLMRD-APPZFPTMSA-N 351.683 1.376 0 40 FDAB Cn1cc2c(n1)[C@H](C(=O)NC1CC1)CN(C(=O)COc1ccc(F)cc1)C2 19701438 LRJOFXPGNFXJLY-MRXNPFEDSA-N 372.400 1.343 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(CN(C)C)n(C)n1 19709059 UHKFNVIMALTUKH-HNNXBMFYSA-N 367.475 1.612 0 40 FDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 3510260 SGBCXLZECAMACX-UHFFFAOYSA-N 360.443 1.208 0 40 FDAB COCc1nsc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888853831 CUOVMRRVTBICOS-CHWSQXEVSA-N 358.423 1.306 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888881746 CAHRVQMOBPLZNB-NSHDSACASA-N 363.443 1.195 0 40 FDAB CC(=O)N1C[C@@H]2C[C@H](C)N(c3ncnc4c3nnn4-c3ccccc3)[C@H]2C1 1888890775 POKUBDKOAJXUTA-NOLJZWGESA-N 363.425 1.656 0 40 FDAB O=C([C@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCSCC1 1888896977 RSRXFOOHJOSLKZ-CQSZACIVSA-N 353.513 1.797 0 40 FDAB c1ccn2cc(CN3CCN(c4cc(-n5cccn5)ncn4)CC3)nc2c1 1889211550 HMTJRALMJDYKQG-UHFFFAOYSA-N 360.425 1.632 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(N)=O)C(C)C)cc1C 24651798 WUFIIJQEIPDKKM-JSGCOSHPSA-N 356.444 1.023 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCCC[C@@H]2c2cc(O)n(C)n2)c1C 2037843316 ARMGKYPOJVVYOX-CYBMUJFWSA-N 353.448 1.566 0 40 FDAB Cc1cc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n2ncnc2n1 2087048794 GTMQPBOQYGGXDP-UHFFFAOYSA-N 363.429 1.419 0 40 FDAB Cn1nc(COCC2CC2)c2c1CN(C(=O)CCc1cncnc1)CC2 1565548063 WYXOBDSPEOKTBU-UHFFFAOYSA-N 355.442 1.654 0 40 FDAB COCCNC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583949 WULGKMLOPPZIQD-UHFFFAOYSA-N 372.421 1.340 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)N1CCOc3ccccc31)n(C)c(=O)n2C 4520661 UOKVFKIMHMJQEK-UHFFFAOYSA-N 373.434 1.773 0 40 FDAB COc1cccc2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13704620 IAUWLQAKUBSVPP-UHFFFAOYSA-N 369.468 1.915 0 40 FDAB COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 13807172 AYWUKUPQNTWTGY-UHFFFAOYSA-N 350.378 1.630 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1ccccc1F)CC2 2055729747 FTMIFQGVZRRYDQ-GFCCVEGCSA-N 353.419 1.510 0 40 FDAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(c4ncccn4)CC3)cc2c1 40050214 HUCAAZZHWYIKLM-UHFFFAOYSA-N 367.409 1.938 0 40 FDAB Cc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)Cc2cc(C)on2)c1 40106399 GHWQYKNAKSWAQR-AWEZNQCLSA-N 366.439 1.790 0 40 FDAB CCCn1c(=O)c2ccccc2n2c(SCCN3CCOCC3)nnc12 21371849 JVJWXEQMENXIOR-UHFFFAOYSA-N 373.482 1.879 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](CNC(=O)c3ccco3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 3851470 OBTBBJPBCHWTRO-WHPHWUKISA-N 353.371 1.406 0 40 FDAB Cc1c(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)oc2ccccc12 4462881 DXSHWZWTUKTYSW-NSHDSACASA-N 351.380 1.201 0 40 FDAB CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298894 RUKMVQNATOOHLD-QGTPRVQTSA-N 360.506 1.157 0 40 FDAB biogenic,in-vitro COc1ccccc1[C@H](NC(=O)CN1CSCC1=O)c1nccn1C 53342460 GTEDFRVBSHAABV-INIZCTEOSA-N 360.439 1.167 0 40 FDAB COc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)c(OC)c1OC 69923683 RBLJFAHRZLIBBG-UHFFFAOYSA-N 354.403 1.967 0 40 FDAB O=C(Nc1ccc(-n2cncn2)c(F)c1)C1CCN(C(=O)C2CC2)CC1 47244136 ZOWGVBJEBBMLRV-UHFFFAOYSA-N 357.389 1.994 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 24602390 YZBCXSGZORWAHW-HOTGVXAUSA-N 357.414 1.259 0 40 FDAB COCCn1c(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)nc2ccccc2c1=O 101619066 QNWVSALUPZLZBE-SOUVJXGZSA-N 353.422 1.985 0 40 FDAB CCCCCn1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 20354917 WNHPOKBUEUFWJX-CHWSQXEVSA-N 363.462 1.223 0 40 FDAB COc1cccc(CN2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)n1 108534307 CNAJAGPSBRDBOD-HOTGVXAUSA-N 357.410 1.799 0 40 FDAB c1cnc(-c2nc(CNCc3cccnc3-n3cncn3)cs2)nc1 57992844 IHCIZKOUUKORQT-UHFFFAOYSA-N 350.411 1.866 0 40 FDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(CC(F)F)CC1 58171259 ITZIAABEXVKSGT-ZDUSSCGKSA-N 352.385 1.384 0 40 FDAB COc1cccc(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c1 58163079 GOOKAKNDUCMVEM-UHFFFAOYSA-N 354.453 1.871 0 40 FDAB CCN(CC)[C@H](CNC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccco1 58290951 ZLROJFGNVIKWDR-QGZVFWFLSA-N 368.441 1.997 0 40 FDAB CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F 58245345 WFDDVCPVKGYWNM-JTQLQIEISA-N 365.224 1.487 0 40 FDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)Nc1cccc(Cl)c1 20465039 SWXOSIGJLWRHMD-FXUDXRNXSA-N 369.849 1.047 0 40 FDAB biogenic,in-vitro COc1ccc(CNC(=O)COC(=O)COc2ccccc2)cc1OC 3388558 RNDZTEPEUQASDC-UHFFFAOYSA-N 359.378 1.942 0 40 FDAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 45669800 IDBCFWHXEKCQPQ-LSDHHAIUSA-N 359.426 1.973 0 40 FDAB Cc1ccc(C(=O)C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1 48375281 CMFRHNQZDRYFAE-UHFFFAOYSA-N 354.458 1.923 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1 12912983 DGEIZAAIYUHIKH-UHFFFAOYSA-N 359.411 1.437 0 40 FDAB COc1ccccc1-n1nnnc1SCCN1C(=O)NC(C)(C)C1=O 12915540 LKMCJUUZRYKPOH-UHFFFAOYSA-N 362.415 1.093 0 40 FDAB COC(=O)[C@H]1[C@@H](c2cccc(OC)c2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4039334 JHKZXOLSVSSHII-OIPACUDHSA-N 350.367 1.081 0 40 FDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 65514453 ANKCYACAZLJSAO-GTNSWQLSSA-N 360.391 1.977 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1ccc2c(c1)OCO2 14166988 KTTVGVVNVWJICL-UHFFFAOYSA-N 365.389 1.943 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1 14190804 JJHLNTVRYXSHSM-GOSISDBHSA-N 373.478 1.349 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 6672693 SAVHMDWWOVRZFS-NWDGAFQWSA-N 354.453 1.553 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 6919489 GGJOYRQQEKUOCT-HNNXBMFYSA-N 356.469 1.431 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 8390859 HEBBCPYZANUZSZ-UHFFFAOYSA-N 359.769 1.803 0 40 FDAB C[C@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000085 KKVWXCFGNNIUGU-CQSZACIVSA-N 359.451 1.929 0 40 FDAB COc1ccccc1CCN1C[C@H](C(=O)NCC2CCOCC2)CC1=O 96118860 OYLQZWLZAIWYQC-QGZVFWFLSA-N 360.454 1.629 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)N1CCCC1 9885051 RMMOQGXNMLYPCQ-CQSZACIVSA-N 358.442 1.305 0 40 FDAB O=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cnccn1 72406464 VSDONRPNQXETHM-QPJJXVBHSA-N 365.437 1.064 0 40 FDAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 78846803 OHRNZKXJNPZPCM-CQSZACIVSA-N 360.435 1.972 0 40 FDAB NC(=O)CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 95459258 OFSDHNIMCLMEGH-OAHLLOKOSA-N 373.478 1.861 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)NC4CCCCCCC4)ccc3n2n1 79489987 UPLSZWAAWGYWQM-UHFFFAOYSA-N 368.441 1.977 0 40 FDAB CCOCCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705630 KFYNZZWFCJLERI-UHFFFAOYSA-N 360.451 1.915 0 40 FDAB COc1ccccc1CN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(COC(C)=O)C=C[C@H]2O1 409288928 JTTPUMVOTROJMF-NNFUDEMPSA-N 357.362 1.067 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCCN3Cc3cccnc3)nc2n(C)c1=O 72377301 MXSKFCNRTBVEMO-QGZVFWFLSA-N 365.437 1.754 0 40 FDAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218090183 JRGAFDLKXTYRRG-OFQRWUPVSA-N 357.497 1.905 0 40 FDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)CCc4cccnc4)C3)ccc2n1 570236567 VJUZSLDECXPXFR-MRXNPFEDSA-N 350.426 2.078 0 40 FDAB COc1cccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1OC 224225114 YYUSDEKQWSBITR-UHFFFAOYSA-N 372.425 1.569 0 40 FDAB N[C@H]1CCc2ncc(NC(=O)N3CCNC(=O)[C@H]3c3ccccc3)cc2C1 333294144 JQMYSBVNWIQALB-MAUKXSAKSA-N 365.437 1.603 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1ccsc1 96240199 LZHZDAZHHNMELA-GOSISDBHSA-N 359.451 1.778 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccco3)CC2)CN1Cc1cccnc1 96159090 XMBKBBWBDOICHR-UHFFFAOYSA-N 355.394 1.708 0 40 FDAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)c1ccccn1)CC2 96206415 FKHSNGREXMCFNH-MRXNPFEDSA-N 357.454 1.819 0 40 FDAB Cc1ncc(-c2cncc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)s1 257225307 FFRPJANKVUQKFZ-LBPRGKRZSA-N 367.500 1.894 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccnc3)C2)ncn1 257337634 YTRJTQKOHMODRK-CQSZACIVSA-N 353.426 1.668 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2OC[C@H](CN3CCCC3=O)[C@H]2C1 253597509 XRWGELXCEUSDIM-ARFHVFGLSA-N 364.467 1.253 0 40 FDAB CNc1nccnc1[C@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 257204636 AVQAOWMONJHTRX-OAHLLOKOSA-N 358.398 1.555 0 40 FDAB O[C@@H]1[C@@H](N2CCOCC2)[C@H](Nc2ncccn2)C[C@H]1Oc1cccc(F)c1 257203492 AQIDZQOBGULNDW-BDXSIMOUSA-N 374.416 1.309 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@](C)(O5)[C@@H]1O 253505464 WVIJKZGJRVKCQR-FGHYJLITSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro CN(C)c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 257248853 JFMYVAJPQLGDOP-CQSZACIVSA-N 357.462 1.351 0 40 FDAB COc1ccc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cc(C)cnc2N)cn1 585081005 ZQARSEMTHNHRSJ-SWLSCSKDSA-N 364.427 1.184 0 40 FDAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2S(=O)(=O)c1cn(C)nc1C 257329787 XLNUBUBMSKWWBY-CVEARBPZSA-N 354.476 1.283 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)c1 1142058100 KPDFRUMNEFOVKG-ZDUSSCGKSA-N 360.414 1.393 0 40 FDAB O=C(NCCc1cnccn1)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 688898183 DVPOJJDMHHQMTA-DLBZAZTESA-N 354.410 1.253 0 40 FDAB CC1(C)CCCN[C@H]1CNC(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775962143 VMDJQUIPUDOMKE-INIZCTEOSA-N 361.490 1.044 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Cl)cc1F 643972785 ZXZJMDAMSBJTBT-CYBMUJFWSA-N 351.783 1.733 0 40 FDAB CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 585284262 WJQUEHYHVOUKCA-IBGZPJMESA-N 350.434 1.961 0 40 FDAB Cc1nc(/C=C/C(=O)N2CCC[C@@](O)(CCC(=O)N(C)C)C2)cs1 585290942 YIYAYHZTJPSTQI-FUTAKVPZSA-N 351.472 1.687 0 40 FDAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cn1 681287948 HZUQFSMFRUSYNH-NSHDSACASA-N 363.468 1.993 0 40 FDAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 58213374 LSWOFOYTGNGBOE-GFCCVEGCSA-N 368.441 1.758 0 40 FDAB O=C(Cc1noc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1)NCc1ccccc1 101638022 LTFUXICOVDQLPT-HRCADAONSA-N 366.421 1.871 0 40 FDAB O=C1CC2(CN(S(=O)(=O)c3cccnc3)C2)ON1Cc1ccccc1 1549161424 HBPACDUGZKDCAP-UHFFFAOYSA-N 359.407 1.189 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145968 BKEVKHHQPAGLFF-OAHLLOKOSA-N 369.469 1.687 0 40 FDAB C[C@H]1CN(C(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)C[C@@H](C)O1 12417966 YWJHINXYLVFFQZ-OKILXGFUSA-N 367.413 1.292 0 40 FDAB CC(=O)Nc1ncc(S(=O)(=O)NCCn2nc(C)c(C)c2C)s1 19557302 GJZNDSAYFDDNLA-UHFFFAOYSA-N 357.461 1.202 0 40 FDAB O=C(NCC1CC1)c1ccc([C@@H]2CCCN(C(=O)Cn3cncn3)C2)nc1 19705546 XJJAWTSICREVER-MRXNPFEDSA-N 368.441 1.219 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)s1 19745432 FTJLYSAUSWDJNL-HNNXBMFYSA-N 364.515 1.824 0 40 FDAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H]3CCCO3)cc21 5442187 CERPKNHNRRQXSF-MRXNPFEDSA-N 373.453 1.856 0 40 FDAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc2nc(O)[nH]c2n1 550126227 CXQMBSWCGPAATA-CYBMUJFWSA-N 371.784 1.852 0 40 FDAB C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO 21986130 GBDXNHBVYAMODG-HVBPWPFESA-N 372.461 1.964 0 40 FDAB in-vitro C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1nc2c(cc1=O)CCC2 575609606 XVJBWOIEXUYUGO-AWEZNQCLSA-N 370.428 1.781 0 40 FDAB Cc1ccccc1-n1c(SCC(=O)NC(N)=O)nnc1-c1ccncc1 3572710 OZNZZNQZAJQZLS-UHFFFAOYSA-N 368.422 1.925 0 40 FDAB CCn1cc(C(=O)OCC(=O)NCC(F)(F)F)c(=O)c2ccc(C)nc21 6083708 CHVNFNAPHKGWDC-UHFFFAOYSA-N 371.315 1.560 0 40 FDAB CC(C)(C)c1cn2nc(C(=O)N3CCN(c4ncccn4)CC3)ccc2n1 1888890789 GUORUTDXBOECIA-UHFFFAOYSA-N 365.441 1.779 0 40 FDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4cnc5ccccc5n4)C[C@@H]3C2)nn1 1888913332 PETJEMZZAAGKQV-GJZGRUSLSA-N 360.421 1.937 0 40 FDAB CSc1ccccc1NC(=O)C(=O)NCC1(O)CSCCSC1 1889024325 FSFXMGKGOQLUFG-UHFFFAOYSA-N 372.537 1.674 0 40 FDAB CN(C)c1nccc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1 2087122353 HYZFBDRXWYQVIP-UHFFFAOYSA-N 355.490 1.477 0 40 FDAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1565556512 LQELVTFFKISQSW-UHFFFAOYSA-N 372.425 1.972 0 40 FDAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565554276 MRPUCKZMMSXXAJ-UHFFFAOYSA-N 360.458 1.593 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 13794096 KJMCKDSCGCHNFZ-MRXNPFEDSA-N 351.472 1.149 0 40 FDAB Cc1cnc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)cn1 2055751381 QHBKWENYWGNRAX-UHFFFAOYSA-N 367.453 1.960 0 40 FDAB O=C(NCC(F)(F)F)[C@]1(n2ccnc2)CCCN(Cc2ccncc2)C1 2055772519 PWYLKMURBGLUQX-INIZCTEOSA-N 367.375 1.948 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@H](O)c2ccco2)CC1 27197234 LMRDLGROVIVQKD-AWEZNQCLSA-N 354.403 1.459 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](Oc2ccncn2)C1)OCc1ccccc1 575607411 CIMZGFXDEQTDSH-INIZCTEOSA-N 370.409 1.773 0 40 FDAB COc1cnc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc1 2298215373 BDDBBCUKPJTPKF-UHFFFAOYSA-N 352.402 1.002 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 29572605 KVOQBXJQPBCCNY-AWEZNQCLSA-N 361.446 1.525 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@](O)(c1cccs1)C1CC1 75155337 KBKCQUBBHPJZPR-MRXNPFEDSA-N 350.465 1.840 0 40 FDAB COC(=O)c1cn(Nc2nc3ccccc3s2)cc(C(=O)OC)c1=O 10493847 BXULJAHXHPHCTC-UHFFFAOYSA-N 359.363 1.906 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cccnc1N(C)C 40120599 GPYUHNKONUEZCG-UHFFFAOYSA-N 352.402 1.753 0 40 FDAB CCCCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)CC)c(=O)n2CCC 20988568 MTMFDMAYQLOHNB-CYBMUJFWSA-N 363.462 1.485 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc3c(c2)OCCO3)on1 21786143 NSWNZHLZFYYTNV-NSHDSACASA-N 364.379 1.030 0 40 FDAB Cc1ccc(OCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 32999705 YJJWYJMHNUMODH-OAHLLOKOSA-N 362.451 1.857 0 40 FDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 4687786 ZKDNTHTXBSBRKO-HRCADAONSA-N 359.536 1.142 0 40 FDAB CCS(=O)(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C 10119389 CTMZOQBYLMHSEM-GFCCVEGCSA-N 358.485 1.572 0 40 FDAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccncc3)[nH]c2=O)c1O 103018475 CYLJFAVASWPMTA-VULZFCBJSA-N 354.387 1.038 0 40 FDAB OC1(c2ccccc2F)CCN(Cc2cnc(N3CCOCC3)nc2)CC1 57823226 VOJMHKYHNPMADJ-UHFFFAOYSA-N 372.444 1.936 0 40 FDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccncc2)CC1 23731315 WHUVXQMKTSSEGT-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 103434876 FXOLBQXCYHZAPZ-MFMIIODASA-N 351.443 1.497 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 24470111 YBPOZAURKCFVDD-UHFFFAOYSA-N 351.403 1.769 0 40 FDAB CN(CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)[C@H]1CCc2ccccc21 25047712 FSECVULYRUEAED-KRWDZBQOSA-N 366.421 1.442 0 40 FDAB C[C@H]1CN(Cc2ccc(CNC(=O)CN3CCCC3=O)cc2)C[C@@H](C)O1 47539058 JUCDXAFPKCTDPJ-IYBDPMFKSA-N 359.470 1.534 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 25581757 SAWSBKJQCIQHCD-KRWDZBQOSA-N 361.467 1.867 0 40 FDAB COc1ccc(CCC(=O)N[C@H]2CCCCNC2=O)c(OC)c1OC 56404508 LYXSBOKKZOAIHD-ZDUSSCGKSA-N 350.415 1.430 0 40 FDAB COc1cc(OC)cc(C(=O)NC(=S)Nn2c(C)nnc2SC)c1 107758816 OSHZRNYPMOLVSO-UHFFFAOYSA-N 367.456 1.584 0 40 FDAB C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)NCCN1CCOCC1 97035076 LKOVOSYTJNCEIO-GJZGRUSLSA-N 370.494 1.358 0 40 FDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 100217124 CNMYVKMJJWSQIQ-AUSJPIAWSA-N 357.454 1.778 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2ncccc12 58209260 RQRMSHFWMBYGPA-KRWDZBQOSA-N 367.430 1.836 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](c2ccccc2)N(C)C)CC1 58218523 UOFROTNTCDTREF-MRXNPFEDSA-N 353.488 1.220 0 40 FDAB CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1 58227134 RMOFOWAWJZQNFY-UHFFFAOYSA-N 361.442 1.325 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccc(F)c2)cc1 3446496 QPAJXJYFSMCMRS-UHFFFAOYSA-N 366.414 1.771 0 40 FDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 12942079 PSBXDDIXCNKGDP-GHMZBOCLSA-N 350.444 1.850 0 40 FDAB COc1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)cc1 49549463 CPMNSWAYPKAQMX-UHFFFAOYSA-N 374.393 1.498 0 40 FDAB CC[C@@H](C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 5083358 SXVYJJUFHUBJDT-SNVBAGLBSA-N 370.500 1.710 0 40 FDAB CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C 8704207 RGZKZSBDCZXKBH-UHFFFAOYSA-N 366.425 1.469 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)COn2nnc3ccccc32)c1 14305856 ZJZJHTATIWZYJA-LBPRGKRZSA-N 356.382 1.755 0 40 FDAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 4738749 ORXVUZUDPSKDCW-UHFFFAOYSA-N 350.419 1.743 0 40 FDAB O=C(COC(=O)c1cc2c(s1)CCCC2)N[C@H]1CCS(=O)(=O)C1 6947212 QSGVECBJQIPJCK-NSHDSACASA-N 357.453 1.087 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1nc2ccccc2c(=O)[nH]1 19147922 MPEYPLVSSGDDQX-LBPRGKRZSA-N 351.362 1.835 0 40 FDAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7108295 IWLOFGKYHFDXHE-NSHDSACASA-N 354.428 1.785 0 40 FDAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(O)c1 8982524 PGMZGDJODDWLBH-UHFFFAOYSA-N 372.425 1.500 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cnccn1 16581415 FKCMHEOCWLJPSI-UHFFFAOYSA-N 369.381 1.010 0 40 FDAB CC1(C)[C@@H](C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)[C@H]1C(=O)O 72401986 USOSPYJZVNXVCV-KGLIPLIRSA-N 351.447 1.530 0 40 FDAB O=C(CSc1nc(=O)ccn1C1CC1)Nc1nnc(-c2ccco2)o1 78879654 DSUIAPAICDDMAS-UHFFFAOYSA-N 359.367 1.952 0 40 FDAB O=C(NCCc1ccccn1)c1cc(Br)ccc1-n1cnnn1 79473954 ZCTINWUYXMGKSH-UHFFFAOYSA-N 373.214 1.792 0 40 FDAB CCOc1ccc(OCC)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 9960329 DTBWFMVAAJSIEE-UHFFFAOYSA-N 371.397 1.566 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(CC3CC3)C[C@@H]1C2 306137703 RDLXMUNCSMFBQO-IRXDYDNUSA-N 351.454 1.722 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)NCC(C)(C)N1CCOCC1 33026700 HXENZVZUZIQBEV-UHFFFAOYSA-N 363.458 1.042 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CCNC(=O)c1cnccn1)CC2 72325201 DCEBPBWSUDUZPH-UHFFFAOYSA-N 370.409 1.199 0 40 FDAB biogenic CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(-n3cccc3)c2)CC1 79495006 DDWVPMVQVPYMKY-UHFFFAOYSA-N 367.858 1.848 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217532898 YFRFGPHQMIDODB-AAEUAGOBSA-N 372.443 1.289 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)COc1ccccc1Cl 30584069 UKMCVNCOKBSJIT-LBPRGKRZSA-N 360.863 1.649 0 40 FDAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218160316 TWTUOGGRWFLNNV-ZOBUZTSGSA-N 361.375 1.137 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 71287896 WZLXMWIFXBPJAV-UHFFFAOYSA-N 372.429 1.664 0 40 FDAB COC(=O)CCNC(=O)CCNC(=O)c1ccccc1Br 41097701 VXFOMCHRVQRIQJ-UHFFFAOYSA-N 357.204 1.248 0 40 FDAB CCOC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 528017249 ATAHZVNLDOZULO-RDJZCZTQSA-N 351.422 1.851 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 222608649 VMEUKHBZXFZFSJ-CYBMUJFWSA-N 368.455 1.864 0 40 FDAB COc1ccc(-c2noc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2[C@H](C)O)cc1 225428989 SWQLOQDUKAUNGA-SMDDNHRTSA-N 373.409 1.754 0 40 FDAB biogenic,in-vitro CN(C)c1ccc(O[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C2)nn1 225445590 GWRIDKALMXGCTN-CZUORRHYSA-N 370.409 1.362 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101380 PSTXTNUXOQBKLG-SIXWZSSISA-N 359.426 1.800 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)s1 97531516 WUKYJSBJDBJRMG-CYBMUJFWSA-N 371.422 1.436 0 40 FDAB Cc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)n1 96052157 TWZWLPMHMPQBBE-MRXNPFEDSA-N 357.454 1.785 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnnc3)C[C@H]1CN(C(C)C)C2 96055916 JGXBRKJBAPLUDD-LPHOPBHVSA-N 360.458 1.602 0 40 FDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cc(OC)n(C)n2)cc1 583623729 KRQFMBXGQHLVQA-LPHOPBHVSA-N 359.426 1.950 0 40 FDAB COC[C@H]1CC2(CCN(Cc3nccs3)CC2)CN1S(C)(=O)=O 96208655 MKDKCZIWZVEJOG-CYBMUJFWSA-N 359.517 1.406 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C(=O)CC(C)C)C1 96244601 AZYQXDRASDRUHY-FQEVSTJZSA-N 374.485 1.668 0 40 FDAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 96243648 AYKWPGQDQCNTOH-QGZVFWFLSA-N 369.469 1.693 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1cccnc1 96044409 UTQYNFCZJBRIBP-KRWDZBQOSA-N 356.426 1.749 0 40 FDAB Cc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cn1C 96266808 BCAKTKYPBUEVRU-UHFFFAOYSA-N 367.453 1.710 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCc1ccccn1)CN(C1CCOCC1)C2 248023799 IUHPZBMMCHUDJY-MRXNPFEDSA-N 355.442 1.210 0 40 FDAB O=C(Cc1ccc(F)c(Cl)c1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257222951 DVGTZXTUAKEXPN-BFYDXBDKSA-N 356.825 1.362 0 40 FDAB CCCCn1nc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)ccc1=O 585085626 BGMQUEGSXQGHHL-JKSUJKDBSA-N 369.421 1.984 0 40 FDAB O=C([C@H]1CCCCN1Cc1nc(CC(F)(F)F)no1)N1CCOCC1 608496137 RDKPPOYGNUXDKF-LLVKDONJSA-N 362.352 1.388 0 40 FDAB CN(C)C(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12 257251105 JPKKNERUVQOBDH-UHFFFAOYSA-N 357.458 1.790 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)nc1 257267675 MIHNKKCWWROMBZ-BGTYHANMSA-N 360.385 1.591 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 374288515 PXLWGOOJODXKRT-HOCLYGCPSA-N 372.425 1.568 0 40 FDAB Cc1cc(I)cc(C(=O)N2CCOCCN2)c1C 597706465 WOZWOXQFBHGNFM-UHFFFAOYSA-N 360.195 1.885 0 40 FDAB CN1CCN(Cc2ccc(C(=O)Nc3nnc(C4CC4)n3C)cc2)CC1 617287502 JTLSFGAARGPFOZ-UHFFFAOYSA-N 354.458 1.692 0 40 FDAB NC(=O)c1cn(C2CCN(C(=O)N[C@H]3C[C@]3(F)c3ccccc3)CC2)nn1 624246000 YKORJNVFBRMCTK-YJBOKZPZSA-N 372.404 1.361 0 40 FDAB Cn1nc(C(=O)O)cc1CN1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1119096783 NYZKFMNHAQSZQX-HNNXBMFYSA-N 360.458 1.733 0 40 FDAB O=C(COc1ccc(Cl)c(F)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644069103 BBWWYJMKWDIIDD-LYRGGWFBSA-N 356.825 1.962 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1cnn(C)c1-c1ccccc1)N(C)C2 644467844 AFNXRZTVVGIWTO-HNNXBMFYSA-N 351.414 1.440 0 40 FDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@](O)(C(F)(F)F)CC1 672236470 AURHXWIKQMQEME-MRXNPFEDSA-N 372.391 1.999 0 40 FDAB CO[C@@]1(CCC(=O)NCCn2nc(C)cc2C)CCCN(C(C)=O)C1 585281140 UAMXDLMSVBNORO-GOSISDBHSA-N 350.463 1.424 0 40 FDAB CN1C[C@@H](COCc2cccnc2)CC12CN(C(=O)CC1(O)CCC1)C2 585093720 ALHFPJNHMRPNSA-KRWDZBQOSA-N 359.470 1.436 0 40 FDAB COCC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2cccc(F)c2)C1 585283166 QNCIBRFCWGUMAL-IBGZPJMESA-N 366.433 1.279 0 40 FDAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccncc3)cc2NC1=O 585281387 IWLIKTVWCQJTKP-ZDUSSCGKSA-N 361.379 1.310 0 40 FDAB Cc1nn(CC2CC2)c(C)c1CC(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942830 WRDFXYOQAQIDHI-DLBZAZTESA-N 359.430 1.138 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1 48303626 IMTPPBVLRMRHAT-UHFFFAOYSA-N 363.321 1.374 0 40 FDAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 55992155 CRNWBXFGLSSAIC-AWEZNQCLSA-N 351.472 1.313 0 40 FDAB C[C@H](Cn1cccn1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19457578 DPGSIUNLBOLENH-HZPDHXFCSA-N 368.485 1.703 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19500767 HSGRKWCSKYMMPD-QCBUCWTNSA-N 374.437 1.673 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CC3)C1)C2=O 19699994 PAWDYUZHGJUFLK-OAHLLOKOSA-N 362.474 1.184 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)NC1CCCCC1 10256729 GEUOZCZCAMTWFX-UHFFFAOYSA-N 365.499 1.655 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1F)NC1CCCCC1 546253052 PYHXZTPTOPTYPV-UHFFFAOYSA-N 358.391 1.251 0 40 FDAB O=C(COc1ccccc1)N1CC[C@@H](NC2CCN([C@@H]3CCOC3)CC2)C1 655763336 NMNYOEJMBRIANZ-RTBURBONSA-N 373.497 1.509 0 40 FDAB Cc1ccc(C)c(OCC(=O)N2CCN(c3nc(C)c(F)c(O)n3)CC2)c1 1888863533 LZQDOJSFUQFOBJ-UHFFFAOYSA-N 374.416 1.974 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(C[C@@H]4COCCO4)CC3)cnc2c1 1849426400 ONSTVSQIQPNEHK-QGZVFWFLSA-N 373.453 1.533 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 27266109 LPZUJFVNYGSFDL-KPZWWZAWSA-N 368.393 1.185 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)c1C 36728527 DAKXLLNBABWYSC-QGZVFWFLSA-N 371.481 1.983 0 40 FDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)NC1CC1 1775963955 LLNCDHROSLNRJY-ZDUSSCGKSA-N 356.386 1.290 0 40 FDAB biogenic,in-vitro Cn1ccnc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037840461 NDWBGGKBBKLINN-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@H]21 1565554053 QEWDJKJXINZERA-KLHDSHLOSA-N 358.504 1.464 0 40 FDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1Cl 1426124 FGNQQNBZZKMZAN-HNNXBMFYSA-N 352.843 1.856 0 40 FDAB CCCCOC(=O)Cc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 4698019 IIIZCRYSJWTHMM-QGZVFWFLSA-N 374.437 1.537 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2F)CC1 2055704366 WZFHZXBPGPHORM-UHFFFAOYSA-N 360.433 1.776 0 40 FDAB Cc1ccc(NC(=O)c2cn(CC(N)=O)c3nc(C)ccc3c2=O)cc1 49002045 XQWMYNWTMPUURF-UHFFFAOYSA-N 350.378 1.751 0 40 FDAB O=S(=O)(NC[C@@H](OCCO)c1ccsc1)c1ccc2c(c1)CCO2 606440596 GFVPRDHZPQEBOL-MRXNPFEDSA-N 369.464 1.712 0 40 FDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1nc2ncccn2n1 225807175 ZNXLIKGYPRBFSU-UHFFFAOYSA-N 362.275 1.116 0 40 FDAB NC(=O)C1CCN(C(=O)CCOc2cccc(Br)c2)CC1 40160545 CQDOUKWSMBVISD-UHFFFAOYSA-N 355.232 1.942 0 40 FDAB CC(C)CN(C(=O)CSC1=NCCS1)[C@H]1CCS(=O)(=O)C1 40158931 WUAHVDSMUQNBLU-NSHDSACASA-N 350.531 1.494 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3ccccc23)C[C@H](C)O1 29625481 FFDYHDYJVMVTKN-STQMWFEESA-N 350.444 1.481 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)no1 102127508 OOXNRHZZPBFGQS-TXEJJXNPSA-N 363.370 1.030 0 40 FDAB CCN1CCO[C@H](C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)C1 76060827 SFZDRTJVEJAGMY-MJGOQNOKSA-N 360.502 1.034 0 40 FDAB C[C@@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 1344746 UHQUBEWIWMJTNS-CYBMUJFWSA-N 352.398 1.378 0 40 FDAB CCOC(=O)[C@@H](CS(=O)(=O)N(CC)CC)NC(=O)c1ccccc1 2041957 PCDOECFCLMFNMI-CQSZACIVSA-N 356.444 1.020 0 40 FDAB COc1ccc2cnn(CC(=O)NCCc3ccccn3)c(=O)c2c1OC 79487979 BXWPNYWMIWTYKC-UHFFFAOYSA-N 368.393 1.168 0 40 FDAB CC(C)c1nc2cc(NC(=O)CNC(=O)c3cnccn3)ccc2n1C 79502091 XBAKIMYCHNLUQP-UHFFFAOYSA-N 352.398 1.855 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885310 LPIZZOSOIWESIL-XMDUPGNXSA-N 372.352 1.801 0 40 FDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 4971423 NXJWCZHRJUWACQ-AWEZNQCLSA-N 350.440 1.443 0 40 FDAB CN1C(C(=O)NCc2ccco2)=CC(c2cccs2)=NS1(=O)=O 6800391 AXOMNYNFZIWAPI-UHFFFAOYSA-N 351.409 1.521 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)nc2n1 8230425 YXDCILYIQWDIIN-UHFFFAOYSA-N 350.382 1.886 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O 22095640 MDYYICZRVXWIKQ-UHFFFAOYSA-N 371.485 1.657 0 40 FDAB O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1 668137 CDQDCIXXBFSRJQ-UHFFFAOYSA-N 354.406 1.815 0 40 FDAB COc1ccccc1OS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 3107193 QBFJGEFXRPKGNG-UHFFFAOYSA-N 361.375 1.700 0 40 FDAB O=C(c1cnc2sccn2c1=O)N1CCN(Cc2ccc(F)cc2)CC1 28233083 JWZDZCHQIGPZPL-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB CCOc1cc(C=O)cc(Br)c1OCC(=O)N1CCOCC1 9232128 FFFNSMLGZLECTC-UHFFFAOYSA-N 372.215 1.898 0 40 FDAB COc1ccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)cc1OC 9607451 SRFDOZARJUOTFU-UHFFFAOYSA-N 374.422 1.474 0 40 FDAB COc1cccc(NC2=NN/C(=c3\ccc4c(c3)OC(=O)N=4)CS2)c1 104981462 HGBDXQULAZJQKW-GXDHUFHOSA-N 354.391 1.655 0 40 FDAB Cc1cccc2nc(Cn3c(S(C)(=O)=O)nc4ccccc43)cc(=O)n12 12540011 GKJVAAXIHSPMPZ-UHFFFAOYSA-N 368.418 1.804 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)OCO2 100128558 YZQJUXMDYXRQLO-KBPBESRZSA-N 355.394 1.804 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCO3)c1 57997781 LDQJVYHWCZSMNE-UHFFFAOYSA-N 362.407 1.296 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)c1C 44723013 ZTQNRJYQXHJFOZ-HUUCEWRRSA-N 364.467 1.207 0 40 FDAB Cn1c(=O)n(CC(=O)NCc2noc(-c3ccsc3)n2)c2ccccc21 58171117 KSFXKCNPCSJOLJ-UHFFFAOYSA-N 369.406 1.768 0 40 FDAB CCC(CC)NC(=O)[C@@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1 58198392 KYOBELWAKXKVJX-INIZCTEOSA-N 374.441 1.111 0 40 FDAB COC(=O)CSc1nc2nc(C)c(-c3ccc(OC)cc3)c(N)n2n1 20676267 ZSMZDATYAFSMOZ-UHFFFAOYSA-N 359.411 1.956 0 40 FDAB NC(=O)[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 58215386 SLLSDTYYFGAZNN-MRXNPFEDSA-N 356.407 1.377 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C[C@H]1C 20448922 SUKNZUKMCRBZBO-DOMZBBRYSA-N 352.456 1.696 0 40 FDAB Cc1ccnc2nc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)nn12 12774632 LOPJMDLRNIGUDR-UHFFFAOYSA-N 352.306 1.602 0 40 FDAB Cc1cc(C(=O)N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)c(C)o1 58377012 XKYUXJGKPGEPDA-CYBMUJFWSA-N 357.414 1.471 0 40 FDAB CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(Cl)cc2)n1 12721213 CQHMDEUCEOJCOL-UHFFFAOYSA-N 363.838 1.441 0 40 FDAB CC(C)C(=O)NCCNC(=O)c1ccccc1I 36656273 ZWNFUQJVEDJWOH-UHFFFAOYSA-N 360.195 1.793 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NC1CCCCC1 48356510 CPBOFZCXKXJZDA-KBMXLJTQSA-N 365.474 1.951 0 40 FDAB CN(CC(=O)NC[C@@H]1CCCO1)C(=O)c1ccc(Br)s1 48331801 LMWFLSJPJZPONL-VIFPVBQESA-N 361.261 1.878 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)c1cnc2sccn2c1=O 11486371 KCRRLIUCZIHZJV-UHFFFAOYSA-N 353.407 1.995 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3958727 QTZYNGJXDMOVPP-UHFFFAOYSA-N 362.411 1.890 0 40 FDAB COCCOCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2 13690926 WTTWPRBWYLGYAJ-AWEZNQCLSA-N 373.413 1.580 0 40 FDAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCNC1=O 6087597 JKZGBLUFWGLDOZ-UHFFFAOYSA-N 372.381 1.816 0 40 FDAB Cc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)o1 13776607 YRWYNOJXRRLBPB-DHDCSXOGSA-N 369.377 1.690 0 40 FDAB COc1ccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCO)cc1 13721052 AYZGIGRCSQRVQE-WMZOPIPTSA-N 363.435 1.337 0 40 FDAB Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)nc(N2CCCC2)n1 65101717 GFXWLQSMIDAEEG-UHFFFAOYSA-N 370.409 1.809 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)CN1C(=O)C2(CCCC2)N=C1O 14261363 NZBRFJOCXMAECB-UHFFFAOYSA-N 374.397 1.661 0 40 FDAB CC(=O)N[C@@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)C(C)C 8922203 XQODQAFWGNUUGG-OAHLLOKOSA-N 354.834 1.931 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc2c(c1)OCCO2 5786331 OQIRKHVRXBQTRC-UHFFFAOYSA-N 351.355 1.074 0 40 FDAB Cc1nc(Cc2c(C)nc(C)[nH]c2=O)n(-c2ccc3c(c2)OCCO3)n1 67756287 FLQVXNRYDFSZRA-UHFFFAOYSA-N 353.382 1.638 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046930 DGWABIVWJQNIOC-MLGOLLRUSA-N 356.426 1.792 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](NC(=O)COc1ccccc1)CCC2 96002950 PECPPICOGKTBAE-MRXNPFEDSA-N 356.426 1.544 0 40 FDAB CCC[C@H]1NC(=O)N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365120 XZULMLNRPGSUKN-CZUORRHYSA-N 374.441 1.571 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 9537208 WKWUFRMGSLZMDA-OAHLLOKOSA-N 368.455 1.796 0 40 FDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CN1CCNC1=O 95466933 QOTRAVSVSRJIIQ-OLZOCXBDSA-N 361.446 1.637 0 40 FDAB CCn1cnnc1CNC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 89310124 DIIHBPPYTUUVKV-UHFFFAOYSA-N 366.466 1.935 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2)C1CC1 306134009 NBQRJZNHHNXHRO-KBXCAEBGSA-N 355.398 1.375 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCOC)c(C)c1 28207612 DBKOZWWHYIJMSE-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB CN1CC2(CCN(Cc3cccnc3)CC2)Oc2ncccc2S1(=O)=O 306139359 SVIBVSWBQMDUGJ-UHFFFAOYSA-N 374.466 1.524 0 40 FDAB O=C(N1CCCC1)N1CCC(C(=O)N2CCC[C@H]2c2ccc(O)nn2)CC1 530076015 MVXVJXYUTZJXFC-INIZCTEOSA-N 373.457 1.774 0 40 FDAB COCC1=CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 185812060 ROAMHAAPRJUXRH-UHFFFAOYSA-N 364.421 1.545 0 40 FDAB CN(CCN1CCCC1=O)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 531866399 FDWRVJIZUBRBFJ-UHFFFAOYSA-N 365.455 1.159 0 40 FDAB COCC(=O)Nc1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1 72400528 VWTFYZOBDAYWQM-UHFFFAOYSA-N 364.745 1.665 0 40 FDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cc(F)ccc1F 189096773 BZXVJIJMPQCMRB-ZDUSSCGKSA-N 355.429 1.994 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1Cl 222668085 NAIXKRJKSXYUHS-UHFFFAOYSA-N 363.801 1.782 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NCCc3ccc(O)cc3)n2)no1 40266626 MEISGBXUENYDGG-UHFFFAOYSA-N 371.353 1.225 0 40 FDAB CC(C)c1cc(N2CC(S(=O)(=O)NC3CCCC3)C2)nc(N(C)C)n1 527073393 QRXINXVOCKJFRV-UHFFFAOYSA-N 367.519 1.717 0 40 FDAB CCc1cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)ccc1O 575203926 HUIRWRHTCWXKJW-UHFFFAOYSA-N 355.394 1.100 0 40 FDAB COc1cc(CC(=O)O)c(S(=O)(=O)N2CCSCC2)cc1OC 95929434 DPPXHPXVALRSFS-UHFFFAOYSA-N 361.441 1.068 0 40 FDAB COCCN1C(=O)C2(CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 96161125 PHZSDWPRJLVWMV-QGZVFWFLSA-N 358.438 1.719 0 40 FDAB Cc1noc(CN2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)n1 580393017 VYNQFCDEDFIYPK-RFHZTLPTSA-N 374.363 1.378 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2cncn21 248095207 MLOLZENMVFSYHU-AWEZNQCLSA-N 354.501 1.749 0 40 FDAB c1ccc(CN2C[C@@H]3COCCN3C3(C2)CN(Cc2cccnc2)C3)cc1 604381949 WJNDPEFBPBNXKD-OAQYLSRUSA-N 364.493 1.853 0 40 FDAB biogenic,in-vitro CC(=O)NCc1cnc(CC2CCN(C(=O)c3ncoc3C)CC2)cn1 257234037 GRVUBINJIXUKRG-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@H]2c2ccc(CN3CCOCC3)cn2)n1 257272228 NBNJJNSQDWVQMO-SFHVURJKSA-N 355.442 1.625 0 40 FDAB CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(N(C)C)ncn2)CC1 278536994 JFLDIGIXWQHQPW-UHFFFAOYSA-N 369.491 1.323 0 40 FDAB O=C(N[C@@H]1CNc2ccccc2C1)c1cc2n(n1)CC1(CCNCC1)OC2 1775962041 OUSJTKBPCWMTSL-HNNXBMFYSA-N 367.453 1.302 0 40 FDAB CC[C@@H](C)[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)n1cnnn1 1615152030 NTYQHKOLNWODPI-SJKOYZFVSA-N 359.430 1.862 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1nnc(C3CC3)n1C)CC2 617286169 BZGHTOTVSDSVMQ-UHFFFAOYSA-N 371.441 1.707 0 40 FDAB CO[C@H](CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)C1CCCC1 659843667 XTJPIBTXWZOKBD-GOSISDBHSA-N 365.518 1.628 0 40 FDAB CS(=O)(=O)c1cc(CNC(=O)C2(C(=O)O)CC2)cc(C(F)(F)F)c1 668323783 AOJVWHSXYLTMQV-UHFFFAOYSA-N 365.329 1.590 0 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CN(C)C(=O)COc1ccc(N2C(=O)N[C@](C)(CCF)C2=O)cc1Cl 1614995504 KLLOFVHYQXIZKM-MRXNPFEDSA-N 371.796 1.982 0 40 FDAB O=C1CN2CCN(C(=O)c3ccccc3)C[C@@H]2COc2ccccc2N1 1772594709 NGHBUGLZMPZWMO-MRXNPFEDSA-N 351.406 1.844 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)OCO2 12114523 YZQJUXMDYXRQLO-FSWDVZBNSA-N 355.394 1.804 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)CN1CCCC1)CC2 12183755 QZLBIXBUQZILLY-UHFFFAOYSA-N 357.458 1.066 0 40 FDAB Cc1nc(C[C@H](NC(=O)c2ccnn2C)c2ccc(F)cc2)cc(=O)[nH]1 19285392 HCDGIFVCHCDVDB-HNNXBMFYSA-N 355.373 1.665 0 40 FDAB CCN1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 19527823 JJIVMJIAAZOHIO-UHFFFAOYSA-N 353.488 1.234 0 40 FDAB CCOc1ccc([C@H](c2nnnn2CCOC)N2CCN(CC)CC2)cc1 19528032 AOENOZGMSKRIHH-GOSISDBHSA-N 374.489 1.445 0 40 FDAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)CN1CCCC1 19583444 SDXLFNNBZYVBJF-UHFFFAOYSA-N 373.476 1.963 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(F)cc1 165641061 AXSPSOYRNZENHA-BHWMQLMCSA-N 372.352 1.115 0 40 FDAB COc1cc(OC)c(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 8106547 CFECTBAORONJLO-BAQGIRSFSA-N 354.160 1.568 0 40 FDAB Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc12 151243815 JDSAKGNBVGMXEF-IAQYHMDHSA-N 361.427 2.000 0 40 FDAB CC(=O)N1CCN(C(=O)N[C@@H](CCN)C(F)(F)F)CC12CCCCC2 667868603 GTPVXKQCDCTGFP-ZDUSSCGKSA-N 364.412 1.843 0 40 FDAB COCCn1c(SCC(=O)NC2CCCC2)nc2c(c1=O)SCC2 16837356 PGNIXKHHPYCOOX-UHFFFAOYSA-N 369.512 1.689 0 40 FDAB CS(=O)(=O)c1ccc2nnn(OCCOc3ccc(F)cc3)c2c1 9503150 PRHKKJKBUVYQPK-UHFFFAOYSA-N 351.359 1.482 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)nc(O)c1F 1888864382 ZQSVPIYUIRANLH-VXGBXAGGSA-N 357.389 1.487 0 40 FDAB Cc1cnc(C(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cn1 1888869883 ULLABXKCQFQSOC-HUUCEWRRSA-N 364.453 1.581 0 40 FDAB Cc1cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n2nc(C)cc2n1 1888888390 OEKHHOZDQBPJER-HZPDHXFCSA-N 361.405 1.972 0 40 FDAB Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 17317399 MAHIZUNNGMTPBB-UHFFFAOYSA-N 350.440 1.899 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056224011 AFBBKQIUVYLKRB-GJZGRUSLSA-N 361.352 1.876 0 40 FDAB CN(C)CCN1CC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)OCC1=O 1565552331 QTKFJMVJWOZNET-LJQANCHMSA-N 363.502 1.514 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@@H]21 1565546049 ROAGIXZYTIHCHM-JKSUJKDBSA-N 366.893 1.602 0 40 FDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1 4941473 FSJMNPVHHORWEF-HNNXBMFYSA-N 361.398 1.385 0 40 FDAB CCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 5123364 SRFIEMJJNZPGMX-HNNXBMFYSA-N 374.441 1.584 0 40 FDAB O=C(NCc1ccco1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234311 DHYSYVUMKYDCKC-UHFFFAOYSA-N 355.329 1.452 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(C2CCCCC2)o1 13793188 GSXZUULAEHSWGK-LBPRGKRZSA-N 356.448 1.870 0 40 FDAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)Cn1ccccc1=O)C2 2055750995 VUXBIFMBIQNWOZ-INIZCTEOSA-N 356.426 1.134 0 40 FDAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccncc2F)S1(=O)=O 575614040 ZYGGBQXMXIVLGD-UHFFFAOYSA-N 368.365 1.291 0 40 FDAB CC(C)[C@H](N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144255 NYFHROAKXVJOST-IBGZPJMESA-N 371.485 1.517 0 40 FDAB CN(C)C(=O)CN1CCCN(CC(=O)Nc2cccc(Cl)c2)CC1 24675512 DDWVTTDTLRBVPL-UHFFFAOYSA-N 352.866 1.374 0 40 FDAB Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 20567844 RARXOGYBCBNOPY-UHFFFAOYSA-N 361.467 1.924 0 40 FDAB O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)Nc1cccc(F)c1 1350701 YPYWIUWFITWPRF-UHFFFAOYSA-N 365.332 1.094 0 40 FDAB CCOC(=O)[C@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@H]1c1cccc(Cl)c1 1574775 WLIAOFCTAHDNDF-JQWIXIFHSA-N 350.758 1.572 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2)cc1 78821298 QFXQNDIPEHYAHW-HNNXBMFYSA-N 362.451 1.176 0 40 FDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 4349671 YXNBHSFRFDRSLQ-SYQHCUMBSA-N 368.430 1.001 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1C 6390885 CXVUAFFRUMCFGS-UHFFFAOYSA-N 373.478 1.866 0 40 FDAB COC(=O)c1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl 9134788 BUZNLGBGGRQLPV-UHFFFAOYSA-N 369.786 1.572 0 40 FDAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1 9577982 XBQGWMIGRGXNGF-HXUWFJFHSA-N 374.404 1.946 0 40 FDAB CN(C)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccsc1 42476018 ZIFJYIFYSZOBQB-OLZOCXBDSA-N 362.542 1.387 0 40 FDAB COc1cccc(C[C@@H](NC(C)=O)C(=O)N=c2[nH]c3ccccc3[nH]2)c1 59850780 XVYRDRBGAMZNBS-QGZVFWFLSA-N 352.394 1.679 0 40 FDAB CN(C)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccsc1 25814790 AQESECCNULWVGB-HNNXBMFYSA-N 359.451 1.988 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@](CNC(=O)C(F)(F)F)(O3)[C@@H]2C(=O)N1c1ccccc1 100509952 VUKCMKKLFPMOTI-CENBSLRLSA-N 366.295 1.178 0 40 FDAB CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCO3)NC(=O)N[C@H]1C 57754833 GIXYUAFTLGXLTF-NSHDSACASA-N 361.398 1.366 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(-n2cnnn2)c1 10027424 OTFDZJOIVDCDJB-MRXNPFEDSA-N 352.398 1.822 0 40 FDAB O=C(NCc1ccco1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 58178449 MJMSLQQFDUWABV-UHFFFAOYSA-N 372.450 1.877 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(OCC2CC2)nc1 58203388 HPYGAXXLUGWVHS-UHFFFAOYSA-N 364.409 1.840 0 40 FDAB O=c1nc2s/c(=C/c3ccccc3)c(=O)n2nc1Cc1ccc(F)cc1 2349196 ISTCGUGUGDEDIO-LFIBNONCSA-N 365.389 1.789 0 40 FDAB CC1CCN(c2nnc(SCC(=O)N3CCOCC3)n2C2CC2)CC1 11378753 SPNGURZATIYDSJ-UHFFFAOYSA-N 365.503 1.800 0 40 FDAB CC(C)[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 36841218 CPTDMRFBJHUTRN-LBPRGKRZSA-N 358.435 1.621 0 40 FDAB CCc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1 408621446 LHKFCKUZHHABAG-UHFFFAOYSA-N 364.471 1.418 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC 3505571 SUDCAOHXEOUGFF-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB CCOCCCn1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O 3572731 SFEGCPUUFIKVME-UHFFFAOYSA-N 364.427 1.110 0 40 FDAB CC(C)N(Cc1ccccc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 12977729 VYXXNDLSHVYWRW-UHFFFAOYSA-N 351.410 1.866 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1OC 25413268 LUQPGSIVRCSKLY-QLFBSQMISA-N 350.459 1.860 0 40 FDAB O=C(O)COc1ccccc1/C=c1/sc2nc3ccccc3n2c1=O 13895927 AFJLTELTHZJQLB-OQLLNIDSSA-N 352.371 1.920 0 40 FDAB Cn1cnc2c1c(=O)n(C[C@@H]1CC(c3ccccc3Cl)=NO1)c(=O)n2C 5206677 UGHQBFPUKUXNTO-JTQLQIEISA-N 373.800 1.280 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)n1C 14111520 ZCIBXDIQLQWMLM-UHFFFAOYSA-N 361.471 1.687 0 40 FDAB O=C1CCc2cc(OCC(=O)NS(=O)(=O)c3ccccc3)ccc2N1 42232582 IOXLDMMCZPOIPW-UHFFFAOYSA-N 360.391 1.455 0 40 FDAB COCCNC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5429323 DOVDEHZQBBLSKY-KRWDZBQOSA-N 373.453 1.699 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(Cc3ccn(C)c3)CC2)cc1 92044275 MZEVVNOMLBROFX-UHFFFAOYSA-N 363.483 1.930 0 40 FDAB Nc1nc(COC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc12 18386031 SBRUOINITSOOPR-UHFFFAOYSA-N 362.349 1.060 0 40 FDAB CCOc1ccc(-n2ccn(CC(=O)NC3CCCC3)c(=O)c2=O)cc1 67255957 ZNHROGKBECYISV-UHFFFAOYSA-N 357.410 1.457 0 40 FDAB CNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 67477900 MBXCZCSMTMLGLC-QGZVFWFLSA-N 357.454 1.205 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)cc1 8170633 ISRAALXIVISVTL-SFHVURJKSA-N 357.454 1.796 0 40 FDAB Cn1ncc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1Br 96012362 RFEHWFMOAXVFKL-SSDOTTSWSA-N 355.158 1.549 0 40 FDAB CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@@H]1CC 9745489 OIBCEYYJYKQFCV-GFCCVEGCSA-N 356.382 1.305 0 40 FDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9762307 ZCHZQIZPLZGANL-OAHLLOKOSA-N 368.455 1.679 0 40 FDAB COc1ccc(C(=O)CNC(=O)c2ccccc2-n2nnnc2C)cc1 95479201 ZLJXKTOBXSHKMQ-UHFFFAOYSA-N 351.366 1.592 0 40 FDAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1cccc(S(N)(=O)=O)c1 9836572 ZTMKJWAOYJQLQU-JTQLQIEISA-N 364.379 1.224 0 40 FDAB CCn1cc(C(=O)C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cn1 95442824 PZYXIWTXVDDURF-HNNXBMFYSA-N 366.381 1.305 0 40 FDAB Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccccc1S(C)(=O)=O 95457213 OIWXMBCDIPTYKF-UHFFFAOYSA-N 365.383 1.860 0 40 FDAB Cc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cc1S(C)(=O)=O 89201702 KSIMNXRBUGBKHV-UHFFFAOYSA-N 359.407 1.680 0 40 FDAB O=c1oc2cccnc2n1CCN1CCC(OCCN2CCCC2)CC1 89614661 BBNPFPGUGXLPOD-UHFFFAOYSA-N 360.458 1.566 0 40 FDAB O=C(CN1C(=O)CSc2ccccc21)NCC1CCS(=O)(=O)CC1 89865577 CQDWKKJCERGSFJ-UHFFFAOYSA-N 368.480 1.066 0 40 FDAB CC1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1 20245102 ZFJQBXRYDNHFIY-UHFFFAOYSA-N 357.451 1.697 0 40 FDAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 72378544 ZQJDHOXCHKMNNQ-MRXNPFEDSA-N 370.457 1.220 0 40 FDAB O=C(N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1)C1(c2ccccc2)CC1 72346938 WXGQUMJMGMREGH-UHFFFAOYSA-N 364.449 1.987 0 40 FDAB COc1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)cc1 79495443 VISDPJUSCKWOQK-AWEZNQCLSA-N 353.440 1.047 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355178 QDMIBSHSRCVDEK-INIZCTEOSA-N 373.501 1.582 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C(Br)=C[C@H]2[C@H]2C=C[C@@H]21 45070657 XALUWEUIIIWAGQ-IMIFBBOLSA-N 358.195 1.991 0 40 FDAB COc1cccc(OC)c1CCC(=O)NCCSc1nc(C)n[nH]1 225993119 PNFYIRUGOHCORP-UHFFFAOYSA-N 350.444 1.971 0 40 FDAB Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO[P@@](=O)(O)OP=O)O1 83429736 DQEAFXHUFWMZFR-NKWVEPMBSA-N 359.175 1.202 0 40 FDAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(S(C)(=O)=O)CC2 96263360 SEWOOHGVIRHARM-UHFFFAOYSA-N 360.483 1.746 0 40 FDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1ccncc1 96062027 DLXKALXKIZHLHQ-HNNXBMFYSA-N 354.458 1.243 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1c(F)cccc1F 96222877 AEPCMDRTWXAGAK-HNNXBMFYSA-N 359.332 1.722 0 40 FDAB biogenic O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 96226413 MWKGENUTDCQSKU-SFHVURJKSA-N 357.389 1.522 0 40 FDAB CCN1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@H]2OCC(=O)N(C)C 96220206 FSTYMJNEWYIETH-GVDBMIGSSA-N 351.516 1.748 0 40 FDAB CC(C)Oc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 96306614 SCBYSGLIAZTPLV-UHFFFAOYSA-N 355.398 1.373 0 40 FDAB CS(=O)(=O)CCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247501185 FPIQBRAJQQSGRB-LLVKDONJSA-N 374.459 1.121 0 40 FDAB CCS(=O)(=O)CCN1CCC2(CC1)CN(C)C[C@@H]2COCC1CC1 248162454 YGPOYSWZHGFUNR-QGZVFWFLSA-N 358.548 1.492 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252523024 BQRGVPBRUJDNSZ-HDJSIYSDSA-N 368.393 1.891 0 40 FDAB Cc1c[nH]c(-c2cncc(CC3CCN(S(=O)(=O)N(C)C)CC3)n2)n1 257303805 SIUBSSGWAQFTJK-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccc(OC)cc1 257280048 OJGBJMZBLVIEHA-MJGOQNOKSA-N 359.470 1.769 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3ccc4[nH]nnc4c3)C2)ncn1 257266839 METVQFLHWWFNMN-CYBMUJFWSA-N 352.398 1.388 0 40 FDAB CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCC(COC)CC2)c1 264807912 GACLLUUHLUVZHV-CYBMUJFWSA-N 369.487 1.724 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)CC1 653331800 WMNPODPHPKKTEN-HOTGVXAUSA-N 359.426 1.809 0 40 FDAB CCn1ccnc1CN1CCN(C(=O)C2(C(=O)O)CCCCCC2)CC1 663058755 AJMZACGXORPXGQ-UHFFFAOYSA-N 362.474 1.972 0 40 FDAB Cc1noc(-c2ccnc(N3CCC[C@@H](Cn4cc(C(=O)O)nn4)C3)c2)n1 67458086 OZKYXGOYERMXND-GFCCVEGCSA-N 369.385 1.646 0 40 FDAB Cn1nnnc1CCNC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 623844956 NAELWHVBWCEGPA-LBPRGKRZSA-N 350.373 1.620 0 40 FDAB CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2O)C1 631971711 PCJGHVDNIJNEBH-MNOVXSKESA-N 360.863 1.971 0 40 FDAB C[C@]12CN(CC(=O)N[C@@H](c3ccccc3)C3CC3)C[C@]1(C)C(=O)NC2=O 639954046 PPDVTIPAWOUFKD-PWIZWCRZSA-N 355.438 1.239 0 40 FDAB Cc1c(Br)cccc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 644002322 JXVRAPCSGKANQX-HNNXBMFYSA-N 355.232 1.600 0 40 FDAB O=S(=O)(N1Cc2ccnn2[C@H](CN2CCCCC2)C1)C(F)(F)F 585095434 XWLIGMQCYZWTLP-GFCCVEGCSA-N 352.382 1.575 0 40 FDAB O=C(C1CC(F)(F)C1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 585105241 RIPHRGHAXNBAJS-CXAGYDPISA-N 365.380 1.470 0 40 FDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1cccs1)C2 585103180 LPTAOVLYWZFSPL-ZDUSSCGKSA-N 365.480 1.606 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)C1CC(F)C1 585096448 OCNZZPLDKMNGCK-HSBZDZAISA-N 371.416 1.859 0 40 FDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NC[C@H]1CCCO1)C2 85473809 NYFXRPNAVLVGBI-NWDGAFQWSA-N 351.472 1.558 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC[C@@H]1O 12187665 GGKGMBWHAMVSOQ-MFKMUULPSA-N 354.428 1.188 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)C[C@H](C)n1ccnc1)CC3 12221533 UIHBHDLKADZWJI-LBPRGKRZSA-N 371.466 1.999 0 40 FDAB Cc1nc2nc(SCc3ccc(C(N)=O)cc3)nn2c(C)c1CC(=O)O 12817527 PCTPRZSTVAFPOC-UHFFFAOYSA-N 371.422 1.759 0 40 FDAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1CCS(=O)(=O)C1 14069515 VRSRDMAHKKFRBX-JTQLQIEISA-N 369.468 1.158 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 14105754 RAJLIMOKLIIKHC-UHFFFAOYSA-N 367.471 1.133 0 40 FDAB O=C(Cc1ccccc1)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 15674477 OKSLMJGUUSDUJV-UHFFFAOYSA-N 366.468 1.894 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)nc(O)c2C1 19015095 BQVWNDVVXSIQHC-CYBMUJFWSA-N 356.426 1.203 0 40 FDAB Cc1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1 19288042 SDDXSIHNICXLKJ-HXUWFJFHSA-N 368.437 1.765 0 40 FDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500707 NLDPJKAUWOWACW-ZBYUQBLASA-N 350.802 1.537 0 40 FDAB CCN1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)C(C)C)CC1 19528110 BOCSROYQQGKZKN-GOSISDBHSA-N 372.473 1.785 0 40 FDAB CC1(NC(=O)c2ccc([C@@H]3CCCN(S(C)(=O)=O)C3)nc2)CCC1 19705792 QCXULILDNUGZLR-CQSZACIVSA-N 351.472 1.893 0 40 FDAB COc1ccc([C@@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)c(OC)c1 19973957 CDTPRWDRPRQZPP-VIFPVBQESA-N 366.377 1.830 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c(OC)cc2OC)NC1=S 8106598 RETBAQAOBMLUIO-YHYXMXQVSA-N 370.814 1.588 0 40 FDAB COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 4885312 LPIZZOSOIWESIL-XLPNERPQSA-N 372.352 1.801 0 40 FDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 612030728 QTBAAMLFKVERJP-GXTWGEPZSA-N 372.874 1.598 0 40 FDAB Cn1ccnc(N2CC[C@@H](Oc3ccncc3Br)C2)c1=O 1888842787 BCEQZPPYGKITSV-SNVBAGLBSA-N 351.204 1.596 0 40 FDAB Cc1cc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n2nccc2n1 1888888483 ZHPJTBCBNJMDQB-HOTGVXAUSA-N 361.405 1.659 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CCC(N)=O)CC2)c1C 18993404 UHQFELKOKLATBD-UHFFFAOYSA-N 353.488 1.102 0 40 FDAB Cc1cc(NC(=O)[C@H](C)NCc2ccccc2CN2CCOCC2)no1 22025106 OCTPXOROWOUOIJ-HNNXBMFYSA-N 358.442 1.932 0 40 FDAB O=C([C@H]1CCOC1)N1CCC2(CC1)COCCN(CCN1CCCC1)C2 1565555465 BBHVBAOFYPNVOQ-SFHVURJKSA-N 365.518 1.060 0 40 FDAB Cn1c(C(=O)N2C[C@@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)cccc1=O 1565554717 DYAHDHUQDLRQTR-GJZGRUSLSA-N 365.437 1.187 0 40 FDAB CCOc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 4504537 UTCRBJIOJCHHTK-CYBMUJFWSA-N 371.455 1.800 0 40 FDAB CC1=NN(Cc2cc(C)ccc2C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147955 YJZJVVVTORORKN-UHFFFAOYSA-N 366.425 1.447 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C2=CCCCC2)CC1 2055782111 NRLULMWBDWCETB-UHFFFAOYSA-N 360.458 1.464 0 40 FDAB O=c1cc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)nc2ccccn12 2086866208 RSMSINJMHYYDFB-KBPBESRZSA-N 351.385 1.801 0 40 FDAB C[C@H](C(=O)NCC(=O)OCc1ccccc1)n1nc2c(cc1=O)CCC2 585150107 ASAXCAIWESPZLT-CYBMUJFWSA-N 355.394 1.153 0 40 FDAB C[C@@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 17113764 YPGRYFXPRAKHIL-AMIZOPFISA-N 366.215 1.280 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 20797483 GOIWEYXXQOWFOM-UHFFFAOYSA-N 358.486 1.482 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)Cn2cc(Br)cn2)cc1 40151977 NFYQNMBSWGNWID-UHFFFAOYSA-N 367.203 1.869 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 30850036 YWYJVLMIKOHAMM-HNNXBMFYSA-N 368.455 1.544 0 40 FDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 100639788 QTOPQEFYCAPIHF-UWVGGRQHSA-N 356.165 1.374 0 40 FDAB NC(=O)[C@H]1CN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCO1 51683510 XMGSNHKURYMCSE-GOSISDBHSA-N 369.421 1.661 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 101816390 RJHHOBKSBCDTQW-CYBMUJFWSA-N 363.439 1.540 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005280 BLDBUEQHTOBOEI-CQSZACIVSA-N 367.471 1.557 0 40 FDAB C[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 32930001 IVAJEGSPIARLBA-INIZCTEOSA-N 364.449 1.901 0 40 FDAB CC(=O)c1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 32907373 AGTBDSCPTJIPRI-FUHWJXTLSA-N 361.442 1.748 0 40 FDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21 4383907 AXMZEEYAZBBSCG-HNNXBMFYSA-N 366.830 1.862 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccccc1Cl 4510579 ZKQXRGSGCLOULV-UHFFFAOYSA-N 366.826 1.991 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)c(C)c1 7604578 MWPBTFBFFQPDAB-ZDUSSCGKSA-N 358.460 1.213 0 40 FDAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8132806 PEYXLBJMRVKEGX-HNNXBMFYSA-N 366.439 1.550 0 40 FDAB COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccoc2)cc1OC 53020637 QTFLRPIQAODWFT-UHFFFAOYSA-N 368.411 1.282 0 40 FDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@H](C)C2CC2)c1C 53006125 WCANIAUVRFTXFJ-LLVKDONJSA-N 356.492 1.445 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 22240654 WFXFJMNTFAABIP-UHFFFAOYSA-N 354.410 1.252 0 40 FDAB C[C@H](OCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 42470371 SDAMVLSRPIPVPE-DOTOQJQBSA-N 368.499 1.942 0 40 FDAB CCOC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC 1058055 CWAJRCIFVOVRAR-HNNXBMFYSA-N 364.423 1.594 0 40 FDAB Cc1cccc(OC[C@@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 42757008 OTKMHSIQBURYJZ-ZDUSSCGKSA-N 353.378 1.244 0 40 FDAB O=C(Cc1ccccc1Cl)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635395 QCOPNVDAJBFEDJ-NVXWUHKLSA-N 352.862 1.736 0 40 FDAB CN(CC(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccccc1 25084973 ZVUOKZWSJIQFGK-UHFFFAOYSA-N 350.465 1.954 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Cl)c1 55508310 DWODFWBFKYSJDE-AWEZNQCLSA-N 372.874 1.660 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCCn3ncnc32)C[C@@H](C)O1 177346914 ZNIPALQYSKCFLO-MGPQQGTHSA-N 350.467 1.300 0 40 FDAB CCNC(=O)NC1(C(=O)NCc2cccnc2-n2ccnc2)CCCC1 57202636 RRNUUTHNNFWGNH-UHFFFAOYSA-N 356.430 1.515 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 12552070 IQBUHXRFLFICKV-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)Cc2c(C)noc2C)cc1 44585180 PVVJHESDEWNMMK-UHFFFAOYSA-N 359.382 1.304 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100304226 LAZYXNJHFDLVPI-OHYFQZGNSA-N 353.374 1.608 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CC3)n2N)c1C 3294834 OBSSUKGZHVHEDK-UHFFFAOYSA-N 363.443 1.966 0 40 FDAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)c(OC)c2)c(OC)c1 58202355 VFHLNJCTGLBXHL-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(C)(C)CN1CCOCC1 100765384 FPEFZMFYWODHPS-IAGOWNOFSA-N 362.518 1.593 0 40 FDAB CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 58368284 NYHNZNDJNZYSED-GFCCVEGCSA-N 362.492 1.714 0 40 FDAB COc1cccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccnc3)CC2)c1 36365329 PSFXBVJXYVLNAD-OAHLLOKOSA-N 368.437 1.557 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCNC(=O)c1ccccc1 12742947 LNBXHXFLFWPLAI-UHFFFAOYSA-N 367.327 1.413 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 12993629 XRJYKAOZQHMZBJ-UHFFFAOYSA-N 353.444 1.264 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 408975288 LVOSCRQFPGIJAS-MPTQWLOMSA-N 364.195 1.645 0 40 FDAB COc1ccc(C(N)=O)c(OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 13072755 LJUJUUIMTVLZMY-STQMWFEESA-N 374.393 1.265 0 40 FDAB COc1ccc(CNC(=O)c2ccc(CNC(C)=O)cc2)cc1C(=O)O 13393170 KZYIWLNLZAEWCJ-UHFFFAOYSA-N 356.378 1.960 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCCO2 13598323 IQPWLJMUWRXBQM-UHFFFAOYSA-N 369.421 1.924 0 40 FDAB CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)NCCO)=NC1=O 13682676 LRNQTMDIBOTLPU-IBGZPJMESA-N 354.410 1.248 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5021923 LKCMZCRNFAJNBM-GOSISDBHSA-N 357.366 1.087 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 5185601 HMFQCXOVMYLPEF-GOSISDBHSA-N 365.389 1.838 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c1 8733956 CBLKCNOHJMWDKG-UHFFFAOYSA-N 352.438 1.777 0 40 FDAB COc1ccccc1CNC[C@H]1Cc2c(nn(C)c2C(=O)NC(C)C)CO1 306135120 OILIVYXEZJMPMS-OAHLLOKOSA-N 372.469 1.798 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCSC 6341395 LQYPGIZSXLRGKG-UHFFFAOYSA-N 374.484 1.408 0 40 FDAB Cc1ccccc1[C@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 14417264 FRIGMKHHLZQKHL-JTQLQIEISA-N 366.215 1.485 0 40 FDAB Cc1cccc(Nc2nnc(SCC(=O)NCC(=O)N(C)C)s2)c1 7292090 UZXVDGHXGXYNHD-UHFFFAOYSA-N 365.484 1.887 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Br)cc1 8945069 FFFONPNLRYVXGI-LLVKDONJSA-N 372.263 1.994 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCCC1 9117855 MKUJKFKINXVHKK-ZDUSSCGKSA-N 351.472 1.488 0 40 FDAB COCc1nc([C@H]2COCCN2C(=O)COc2c(C)cccc2C)no1 96001035 HWYOSFCSBUSZQD-CQSZACIVSA-N 361.398 1.812 0 40 FDAB O=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1Cl 9385298 GSROZVCXOHRAEJ-UHFFFAOYSA-N 372.809 1.073 0 40 FDAB O=C(CCn1[nH]c2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 96232843 FSWDQZRGPNLOEK-UHFFFAOYSA-N 362.393 1.998 0 40 FDAB Cc1cccnc1NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 72325172 CQQSMYAFEPRGIB-INIZCTEOSA-N 364.405 1.980 0 40 FDAB biogenic CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCc2sccc2C1=O 83830578 APLGEUZEARQCEE-ZDUSSCGKSA-N 373.482 1.942 0 40 FDAB O=C1CCC(=O)N1CCNS(=O)(=O)c1cc(Cl)sc1Cl 72991456 HMHQQEJCXZNUNI-UHFFFAOYSA-N 357.240 1.482 0 40 FDAB COCC1(C)CCN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC1 95459629 VIJPLTQVXFLZHO-UHFFFAOYSA-N 355.456 1.744 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 88213071 VKLYRGIQOIYYQV-MRXNPFEDSA-N 368.481 1.947 0 40 FDAB Cc1nnc(CN2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)o1 95999752 WEBHNWYQZJAEDJ-KRWDZBQOSA-N 355.442 1.691 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9953434 LWUXBGKGFYYAQV-LSDHHAIUSA-N 361.467 1.854 0 40 FDAB CCCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704470 NXPCYBWLRAMSAL-LBPRGKRZSA-N 356.444 1.529 0 40 FDAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2Cl)CC1 32771445 NCHGUTBJGCHAQQ-UHFFFAOYSA-N 370.855 1.181 0 40 FDAB COCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccccc1 39963890 GDQJLKPCWDVFEU-UHFFFAOYSA-N 367.409 1.719 0 40 FDAB COCC(=O)N1CC[C@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 72382511 DAFRRGQALPCBRG-AWEZNQCLSA-N 356.430 1.898 0 40 FDAB COc1cccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)c1 41003933 AVUIVRLNWZKGAC-UHFFFAOYSA-N 361.467 1.639 0 40 FDAB CC(=O)N1CCC(N2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)CC1 85436240 IVDFGUFGDAPHGA-HXUWFJFHSA-N 370.497 1.928 0 40 FDAB biogenic,in-vitro COc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 43843353 KZAVATGDNHGZON-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cncn3C)no2)cn1 329431736 KRCVFBFLUOCARN-ZDUSSCGKSA-N 355.402 1.961 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225201900 NNTALDAKYYNKJA-CQSZACIVSA-N 369.487 1.014 0 40 FDAB C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccccc1 222772746 LQQIGIJNJHXCHZ-QGZVFWFLSA-N 370.449 1.981 0 40 FDAB COCC[C@@H]1COCCN1C(=O)CNC(=O)c1cc2c(s1)CCCC2 332023029 ZSIAWPASXQSEOH-CQSZACIVSA-N 366.483 1.621 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCC1CCOCC1 96221081 ACJSCGFZAHXJBH-INIZCTEOSA-N 359.426 1.430 0 40 FDAB biogenic CCN1CCC[C@@H]1CNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 95474607 BQEGETREHRINEY-CQSZACIVSA-N 374.441 1.014 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048996 JNXFCUUJWPKAPS-UHFFFAOYSA-N 357.501 1.302 0 40 FDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(c1ncc(F)cn1)CC2 96260414 CLDUNTXNZCITCG-UHFFFAOYSA-N 358.421 1.796 0 40 FDAB Cc1cc(O)c([C@H](CC(=O)O)c2c(C)nn(CCC(=O)O)c2C)c(=O)[nH]1 95475799 AVEABIPJUMTBLB-LLVKDONJSA-N 363.370 1.284 0 40 FDAB O=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 96218840 YWRWKUUSHLRTLG-MRXNPFEDSA-N 353.426 1.614 0 40 FDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccccc3F)C[C@@H]2C[C@@]1(C)O 257265066 LXEPXKAULDWVEC-KNIMUDFMSA-N 350.434 1.345 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)NCc1nnc2ccc(N3CCCC3)nn12 253399383 IZKNUAHSIWIZPC-UHFFFAOYSA-N 368.445 1.313 0 40 FDAB COCCOc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OC 257233148 GOAJLNWYUPTEOY-LJQANCHMSA-N 366.458 1.183 0 40 FDAB CCn1nc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)c(=O)c2ccccc21 605306843 HFVQLLAZBNWKIA-UHFFFAOYSA-N 366.425 1.098 0 40 FDAB C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H](c2nc(C3CC3)no2)O1 623173525 NJUVZIAIENHGCD-ZWNOBZJWSA-N 358.402 1.405 0 40 FDAB COC(=O)[C@@H]1CCc2nnc(C3CCN(c4ncccn4)CC3)n2CC1 601044848 ROXPJASVCCHJIH-CQSZACIVSA-N 356.430 1.578 0 40 FDAB Cn1cc(N2[C@H](C(=O)N3CCc4c(F)cccc43)CC[C@@H]2C(=O)O)cn1 630670503 WYHKGBMVYULJLV-JKSUJKDBSA-N 358.373 1.571 0 40 FDAB COc1cc(C)c(CN2CC3(CN(C)C[C@@H]3c3n[nH]c(C)n3)C2)c(C)n1 1775957883 QZIKMTJAJPJGCA-MRXNPFEDSA-N 356.474 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OJNRYOFHTWHOPO-IIAWOOMASA-N 351.428 1.059 0 40 FDAB Cc1ccn(C[C@@H](C)NC(=O)c2cn(C[C@@H](O)c3cccs3)nn2)n1 85470502 YCAGYQFHKFOPTH-TZMCWYRMSA-N 360.443 1.397 0 40 FDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)N3CCCCO3)c2)C1 283717656 UTLCBLYMIKKQPI-QGZVFWFLSA-N 360.458 1.621 0 40 FDAB CN1CCN(C(=O)c2ccc(NC(=O)[C@@H](C(=O)O)C3CCCC3)cc2)CC1 663101058 GKUMNTBJUNCQHU-KRWDZBQOSA-N 373.453 1.904 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 666779379 JUHYLOIGAGTNLK-TUAOUCFPSA-N 372.409 1.609 0 40 FDAB CSCC[C@@H](NC(=O)C(=O)NCC1=CCCC1)c1nnc2ccccn12 597167945 MAPCPOIDEVQAOH-CQSZACIVSA-N 373.482 1.866 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1F 96365274 OFBCCOBFIMAYEA-NSHDSACASA-N 351.421 1.032 0 40 FDAB C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2COc3ccc(F)cc3C2)CS1(=O)=O 664916635 PBEPZKQSEAKNBX-HONMWMINSA-N 356.419 1.394 0 40 FDAB O=C(NC1CCC1)[C@@H]1CO[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2C1 585109206 ZXXMWBVMSCQKEW-XYJFISCASA-N 372.469 1.332 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@@H](O)C1)C2 585104584 QOBRIAUDCCMONL-RTBURBONSA-N 374.481 1.860 0 40 FDAB CCc1[nH]nc(Cl)c1C(=O)N1C[C@H]2COC[C@@]2(c2nnc(C)o2)C1 685941275 BQLBGUFBUKEICG-VFZGTOFNSA-N 351.794 1.357 0 40 FDAB Cc1nc(CN2C[C@@H](O)[C@H](n3ccc4c(C(N)=O)ccnc43)C2)cs1 1615192301 SSFVUMINDSWXSB-HUUCEWRRSA-N 357.439 1.318 0 40 FDAB Cc1noc(C)c1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19747464 VRTBRZPHGILFNI-UHFFFAOYSA-N 368.437 1.712 0 40 FDAB Cc1nc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)nc(O)c1F 1888843387 HQMYZNNKEMZPJZ-UHFFFAOYSA-N 358.299 1.765 0 40 FDAB Cc1nc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)ccc1F 1888903896 REGVSVZRLSQBPG-CHWSQXEVSA-N 367.388 1.175 0 40 FDAB Cc1noc(C)c1CN1CCN(c2ccc(N3CCOCC3)nn2)CC1 1889096037 LTJSWLPKQYOPLC-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@H]2CCOC2)nc1 252537514 LMGSFRPTVCOLOW-ZDUSSCGKSA-N 351.403 1.504 0 40 FDAB O=C(c1ccsc1)N1CCOC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 1614933560 ILJQQEJOHFOMAA-CQSZACIVSA-N 364.467 1.618 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ncnn4C)CC3)nc(C)n2)n1 2087143869 VOSKOEYCVFRPIF-UHFFFAOYSA-N 367.461 1.038 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCc1ccc2c(c1)OCO2 5387879 AQXGKDOCXSYSOB-UHFFFAOYSA-N 353.334 1.548 0 40 FDAB COCCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 12427922 LTQVEXCBZFNDNA-UHFFFAOYSA-N 367.409 1.390 0 40 FDAB biogenic O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncnc3[nH]cnc23)C1 585605102 RHDFHARFBKCOQG-UHFFFAOYSA-N 360.381 1.108 0 40 FDAB CCc1ccc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)cn1 2055793335 QLBOKVKQSXRGQU-QFBILLFUSA-N 374.441 1.202 0 40 FDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(S(=O)(=O)C2CC2)CC1 2055734750 RLFABRIMLJULNT-UHFFFAOYSA-N 369.462 1.653 0 40 FDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1 23134670 LLRDJXIVFWIMMI-UHFFFAOYSA-N 352.398 1.522 0 40 FDAB Cn1cnc(S(=O)(=O)NCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 206633087 QCUALUCQYCJZBN-UHFFFAOYSA-N 364.471 1.426 0 40 FDAB O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 575616232 IDHJALGPKWTGLH-AWEZNQCLSA-N 370.434 1.817 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 220461659 ZCYUEYXNQSHFQU-CYBMUJFWSA-N 370.409 1.623 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2sccc2C)cc1 75170231 YQMCIHQHNYEAMW-ZDUSSCGKSA-N 355.437 1.855 0 40 FDAB O=C(Cn1nnc(-c2ccco2)n1)Nc1ccccc1N1CCCC1=O 40068516 MQEKIEWPGNPUGY-UHFFFAOYSA-N 352.354 1.699 0 40 FDAB Cc1noc(CCNC(=O)NCC2(N3CCOCC3)CCCCC2)n1 101770879 FDCZXAIDJQKRAU-UHFFFAOYSA-N 351.451 1.255 0 40 FDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)Nc1cccc(F)c1 32777745 UYNUFHJHFSCAGQ-SECBINFHSA-N 371.415 1.842 0 40 FDAB CC[C@@](C)(CNC(=O)COCc1cccc(OC)c1)N1CCOCC1 46788503 KEYKSVRFAYOGIA-IBGZPJMESA-N 350.459 1.829 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccccc2)cc1 78821292 QFXQNDIPEHYAHW-OAHLLOKOSA-N 362.451 1.176 0 40 FDAB C[C@H]1CN(S(=O)(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 32895667 WQNYEMRJINXGEZ-HZSPNIEDSA-N 365.459 1.272 0 40 FDAB Cc1cccc(N2CCN(CCNC(=O)CCNc3ncccn3)CC2)c1 52579911 KNNMSLQIGRWPFQ-UHFFFAOYSA-N 368.485 1.525 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 21600099 MQCAQFHOQIRVSI-LJQANCHMSA-N 370.409 1.472 0 40 FDAB COc1cc(CS(=O)(=O)CC(=O)NCC2CC2)ccc1OC(F)F 32929815 IZXARPSEYQYVSG-UHFFFAOYSA-N 363.382 1.738 0 40 FDAB O=C(NCc1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6759058 JUCBXOUDXLICGZ-YYAJDYIMSA-N 354.362 1.471 0 40 FDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 7685654 NYTCWTDNHBZMAM-CYBMUJFWSA-N 361.485 1.591 0 40 FDAB O=c1c(NCc2cccnc2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101692593 SUMFNBQPPLGNNY-UHFFFAOYSA-N 366.396 1.755 0 40 FDAB C[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082302 CBWRUFIRIAFTMJ-FECKYUFXSA-N 350.418 1.744 0 40 FDAB CCOc1c(Cl)cc(C(=O)N(CC)[C@@H]2CC(=O)NC2=O)cc1OC 104006427 HOCOCVGRJNIOCN-LLVKDONJSA-N 354.790 1.625 0 40 FDAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 9962074 HMDVFETXIYOEOV-INIZCTEOSA-N 367.409 1.502 0 40 FDAB CCCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC 55376658 ANEIIFAVRMNQJU-AWEZNQCLSA-N 350.415 1.348 0 40 FDAB CCCC[C@]1(C)NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 24988438 SQKVNVZEGSJVMW-BLVKFPJESA-N 373.409 1.144 0 40 FDAB CN(C)[C@@H]1CCN(C(=O)[C@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 107186361 IUSKODJZYAYUPS-YLJYHZDGSA-N 367.497 1.682 0 40 FDAB O=C1NCCCC[C@@H]1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 35269204 XDXGLRDESQEWNU-FVLHSZHDSA-N 363.483 1.273 0 40 FDAB Cn1ccnc1CN1CCOC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 107795115 LRCJBGPBNWWWIM-LPHOPBHVSA-N 357.458 1.535 0 40 FDAB COCCCNC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 62001328 IFBGOCIEAPOPRI-RFUYNDQBSA-N 361.417 1.610 0 40 FDAB biogenic CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)nn2)CC1 57511647 LQIMRXIZFYDVCD-UHFFFAOYSA-N 373.413 1.627 0 40 FDAB Cc1ccc([C@H](CNC(=O)CCN2CCSC2=O)N2CCOCC2)o1 48261066 QVOLZNBMTSEBLH-AWEZNQCLSA-N 367.471 1.636 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 28015537 LUFGFABXYGRWOI-SFHVURJKSA-N 361.486 1.506 0 40 FDAB CC(C)CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943164 JLCFFKKJEDFPDV-UHFFFAOYSA-N 356.444 1.734 0 40 FDAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCN(CC)CC1 2408127 YTSSPVNMBRQOBB-UHFFFAOYSA-N 358.446 1.598 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3543833 LMHPNMPWLXJKBO-CQSZACIVSA-N 371.437 1.857 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(N)=O)N2c4ccccc4C=C[C@H]32)cc1 3999589 BUUKEHVSQJFCKB-MKXGPGLRSA-N 373.412 1.870 0 40 FDAB biogenic O=C(CCC(=O)N1CCc2sccc2C1)NCCCN1CCCC1=O 69924945 GGPHGMAJQHYFAW-UHFFFAOYSA-N 363.483 1.542 0 40 FDAB C[C@@H](C(=O)NCc1cccnc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957180 DZPAYIKIWWOYMK-NSHDSACASA-N 369.393 1.831 0 40 FDAB CN(C[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14198070 BJJSCKUAIBOASO-NSHDSACASA-N 369.252 1.797 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1OCC 408696645 DABMASCDYCAMTI-CYBMUJFWSA-N 356.444 1.292 0 40 FDAB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)N3CCOCC3)no2)cn1 96001733 YLZRYTIJTOULSG-CQSZACIVSA-N 360.418 1.839 0 40 FDAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 5833723 VOTXOPLAFRAPDL-CYBMUJFWSA-N 374.846 1.478 0 40 FDAB COC(=O)c1cc(NC(=O)CSCC(=O)N(C)C)cc(C(=O)OC)c1 9336255 BHQCETPDKOKTPV-UHFFFAOYSA-N 368.411 1.020 0 40 FDAB CCOCCCNC(=O)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 8036576 HUNSVJZKIFVREL-UHFFFAOYSA-N 366.809 1.246 0 40 FDAB Cc1cccn2c(=O)c(C=O)c(Sc3nnnn3-c3ccccc3)nc12 19800587 FTNXDSHYEQZXFG-UHFFFAOYSA-N 364.390 1.942 0 40 FDAB O=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 97165179 ALFSFNYTTCFOET-UHFFFAOYSA-N 366.439 1.979 0 40 FDAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408627063 XTQBPIISXRXLQP-SNVBAGLBSA-N 364.851 1.168 0 40 FDAB CCCc1onc(C)c1C(=O)N1CC2(C1)[C@H](COCC)CCS2(=O)=O 306144200 YYVWDSVKOWPZHN-ZDUSSCGKSA-N 370.471 1.601 0 40 FDAB Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@H]2C1 306143762 YLOBRHWSBGTYIZ-NWDGAFQWSA-N 358.471 1.240 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCC2)cc1OC 33567769 KITNGAWKVKUDLR-LBPRGKRZSA-N 370.471 1.820 0 40 FDAB COc1cccc(N2C[C@@H](NC(=O)c3ccc4nnc(C)n4c3)CC2=O)c1 513335452 GWFVNPXHBSYRSP-AWEZNQCLSA-N 365.393 1.582 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2Cc3ccccc3O2)c1 30443680 OTJUBRHTEUJPAM-SFHVURJKSA-N 374.462 1.993 0 40 FDAB CN(C)S(=O)(=O)CCNC(=O)C[C@@H](c1ccsc1)n1cccc1 524734576 RZIPCTNGMFCDON-AWEZNQCLSA-N 355.485 1.537 0 40 FDAB C[C@H](c1nc2ccccc2n1C(F)F)n1cnc2c1c(=O)n(C)c(=O)n2C 32879653 YHNVYUSLHFAGLH-SECBINFHSA-N 374.351 1.788 0 40 FDAB O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218500747 YIGHDHVYLNNDSZ-YQQAZPJKSA-N 350.367 1.829 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCc1cnn(-c2ccccc2)c1 32871469 NIHSPPFXYDDQQB-UHFFFAOYSA-N 354.366 1.233 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1-n1cnnn1 32967148 JAGSXUIBHINCRJ-UHFFFAOYSA-N 354.345 1.512 0 40 FDAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Cl)c1 36357182 ODESBZXVVOOACP-JOYOIKCWSA-N 359.835 1.153 0 40 FDAB O=C(O)c1ccc(CN2CCN3C(=O)N(Cc4cccnc4)C[C@H]3C2)cc1 85436173 VJCFAWQDOVUTAC-GOSISDBHSA-N 366.421 1.902 0 40 FDAB biogenic,in-vitro CN(C)c1cnnc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 224315053 VRXIEISOWIZSQF-UHFFFAOYSA-N 365.434 1.193 0 40 FDAB CC(C)OCCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224935671 KRHYOOUIIFBECJ-UHFFFAOYSA-N 360.451 1.519 0 40 FDAB CN(CC(=O)NCCCN1CCCCC1)S(=O)(=O)c1ccccc1 223132536 BCWHRNDKUUMCDM-UHFFFAOYSA-N 353.488 1.299 0 40 FDAB CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(C)=O)CC2 96262306 MFTZFYNBUODPTD-ZWKOTPCHSA-N 356.470 1.373 0 40 FDAB COc1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cn1 96221430 DFJDRAGZAASOPJ-AWEZNQCLSA-N 354.366 1.539 0 40 FDAB biogenic O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96063094 XXWAPXSRDJRUSD-CQSZACIVSA-N 351.472 1.373 0 40 FDAB CS(=O)(=O)N[C@H]1CCN(CCOc2ccc(C(=O)O)cc2Cl)C1 581136780 CZZYFOWVICMIBL-NSHDSACASA-N 362.835 1.041 0 40 FDAB Cc1nnc(N2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)s1 248165651 ZOHKSXNKLQEXLA-CYBMUJFWSA-N 361.471 1.600 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)nc2)[C@@H](C(N)=O)C1 257208406 BMASIRPROWLJHH-QGZVFWFLSA-N 354.410 1.048 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c1 257204894 AWTIZEZFFTTZME-GDBMZVCRSA-N 351.428 1.013 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257263731 LREJDTOLYUGFNF-CQSZACIVSA-N 353.386 1.312 0 40 FDAB COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257290712 QEANFVAMQSIEHA-INIZCTEOSA-N 357.410 1.950 0 40 FDAB COc1cc(CCC(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)on1 257199875 ABCKTNRJJZPRQL-IIDMSEBBSA-N 351.447 1.452 0 40 FDAB O=C(NCC(=O)N1CCC[C@](O)(CN2CCCC2)CC1)c1ccccc1 257223815 DYZHLUSVSHAEKI-HXUWFJFHSA-N 359.470 1.256 0 40 FDAB O=C(NC[C@H]1CCCO1)c1cccc(CNc2ncnc3nccnc23)c1 677002134 ZIWISQPMIUENIR-OAHLLOKOSA-N 364.409 1.941 0 40 FDAB Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1 681821316 OZBYUOQMYPDIER-BMIGLBTASA-N 365.411 1.464 0 40 FDAB CC1(C)CCCN[C@@H]1CNC(=O)c1cc2n(n1)CC1(CCNCC1)OC2 1775962144 VMDJQUIPUDOMKE-MRXNPFEDSA-N 361.490 1.044 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccnc(OCC(F)(F)F)c1 616772029 FFTPTWUAFLDBLU-DMDPSCGWSA-N 356.304 1.324 0 40 FDAB COc1ccc(-c2ccc(S(=O)(=O)N3CCNCC3)cc2)c(CO)c1 629740350 CBTWCELAKHYMCB-UHFFFAOYSA-N 362.451 1.448 0 40 FDAB Cc1cc(N2CC[C@H](n3cc(C[C@@H](N)c4ccccc4)nn3)C2=O)n(C)n1 641100092 WYYSKELUHJAQDR-SJORKVTESA-N 365.441 1.541 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21)C1CC1 585112025 HGOXGJRDSQXAIJ-KRWDZBQOSA-N 360.483 1.912 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@H]1CCOC1 585096257 CXVBKGXAYNCSHZ-STQMWFEESA-N 358.398 1.346 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2nccs2)C1 585320956 ZBXHWSOTZPJMSC-NSHDSACASA-N 368.436 1.756 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 5060473 NMWVPEQFHZWIEB-LBPRGKRZSA-N 352.412 1.662 0 40 FDAB Cc1ccc2nc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cn2c1 5267462 NZGACQNMTJRTBW-UHFFFAOYSA-N 372.450 1.637 0 40 FDAB O=CN1CN(C=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 5601924 AJINOUDPNVVCSN-IRXDYDNUSA-N 368.345 1.241 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)c2cccnc2n1 13228042 IGWPNOCVTBWZPR-KBPBESRZSA-N 374.466 1.474 0 40 FDAB CC(C)(C)NC(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 14180405 CSGNVEBYSVMAGH-UHFFFAOYSA-N 358.341 1.476 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 14674104 GZRDFELFOFPDIR-SNVBAGLBSA-N 374.370 1.782 0 40 FDAB COc1cc(CN2CC[C@@]3(NC(C)=O)CNC[C@H]3C2)ccc1OC(C)C 19713001 HHTAHJLEVXGWSO-FXAWDEMLSA-N 361.486 1.782 0 40 FDAB O=C1NCc2ccccc2OCc2cn(nn2)CCCC12CCNCC2 643565656 FTTZJECREDMLDK-UHFFFAOYSA-N 355.442 1.637 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)c1cnn3c1N[C@H](C)C[C@@H]3C(F)(F)F)C2 13228098 GLUOPOVBSBKEHE-LDYMZIIASA-N 369.351 1.747 0 40 FDAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@H](c2ccncc2)C1 669725781 MBMYEZZDKYDPDZ-HNNXBMFYSA-N 352.398 1.565 0 40 FDAB Cn1c(CSc2nnc(NCc3ccco3)s2)cc(=O)n(C)c1=O 11541427 BZLPSUICDRZSBU-UHFFFAOYSA-N 365.440 1.433 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccccc5F)C[C@H]4C3)ncnc21 1888909509 KUDDHMSSINMCSS-CHWSQXEVSA-N 366.400 1.711 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(C[C@H]2COCCO2)CC1 1849424620 LRTLRUDYVUMWCE-KRWDZBQOSA-N 357.454 1.832 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 25462513 YXRCJRWOOSRREM-ZDUSSCGKSA-N 366.381 1.746 0 40 FDAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 31560839 IKSLOUPDLXJNPO-CYBMUJFWSA-N 363.373 1.362 0 40 FDAB Cc1cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n2ncnc2n1 2087045367 CLJWIKWYVJYHGM-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cc1ncc2c(n1)[C@@H]1CN(C(=O)CC3(O)CCC3)C[C@H]1N(CC1CC1)C2 1565554091 JXOCUWSZFWSMNC-IAGOWNOFSA-N 356.470 1.610 0 40 FDAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965576 DNIWIRWZOBCQHG-UHFFFAOYSA-N 365.368 1.895 0 40 FDAB Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)/C=C\c2ccccc2)c1=O 38486413 HUYAVEKVIVIJKG-FPLPWBNLSA-N 367.405 1.510 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)NCc1nccnc1-c1ccncc1 585150655 OKPSRQMGYCGSKI-UHFFFAOYSA-N 351.366 1.176 0 40 FDAB O=C(c1cc2n(n1)CCCO2)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255754 YHCHZSOTJFBPBH-ZDUSSCGKSA-N 365.393 1.902 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)CCN2C 96362610 UBEKBNPBUBAMEH-HNNXBMFYSA-N 351.428 1.296 0 40 FDAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)n(C)c(=O)n(C)c1=O 20758228 MCEMBJYBPHJPPR-MRXNPFEDSA-N 354.410 1.238 0 40 FDAB biogenic O=C(c1ccc(Cl)cc1F)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 38437552 RPUKNBYJWQCGTE-GFCCVEGCSA-N 360.838 1.424 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2nnnn2-c2ccccc2)CC1 40072499 VWBWGAAVVSFZDG-UHFFFAOYSA-N 374.408 1.501 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1=O 40080618 ZCYBQCCKEYVBKC-UHFFFAOYSA-N 358.398 1.737 0 40 FDAB C[C@@H](CC(=O)NCCC(=O)Nc1ccccn1)NC(=O)c1ccccc1 40154443 VZVBUTOSSRCDJL-AWEZNQCLSA-N 354.410 1.735 0 40 FDAB COc1ccc(C(=O)NC[C@@H]2CCCOC2)cc1S(=O)(=O)NC1CC1 40157557 MLKOILAYCGLHOS-LBPRGKRZSA-N 368.455 1.292 0 40 FDAB CC/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20266975 YKAWNMMLIHYXQB-JQIJEIRASA-N 358.442 1.783 0 40 FDAB CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 29605924 GCGUCWJPLDKAPZ-UHFFFAOYSA-N 373.906 1.804 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C/C=C/c2ccccc2)CC1 32850920 RZWGJNGJTTVKTJ-JCVNQNCUSA-N 367.501 1.912 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O[C@H]2C[C@@H](C)OC2=O)c1C 60888731 SDFNXQWJJXEXAQ-RISCZKNCSA-N 369.439 1.446 0 40 FDAB CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813898 PJARHHIRRZAXIO-NSHDSACASA-N 360.863 1.889 0 40 FDAB O=C(NCCc1nnc2n1CCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 42502819 NRZTUTOYACVFPN-HNNXBMFYSA-N 369.425 1.314 0 40 FDAB COC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)CC1 24528680 OIGXBQRCDGIKGI-INIZCTEOSA-N 351.428 1.358 0 40 FDAB C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc[nH]c2=O)cc1)n1cncn1 24706187 DXPMBJCTUDCZBQ-LLVKDONJSA-N 352.354 1.418 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccnc1N1CCOCC1 24953582 OSGYQTSHHIFJLW-UHFFFAOYSA-N 368.437 1.904 0 40 FDAB Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 25777742 HKPCVWXXAVYXIP-FMKPAKJESA-N 372.469 1.921 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H](C(=O)NCC[S@](C)=O)[C@@H]31)O2 100124942 MYCFJOVNBCZKKW-BLHYSCGMSA-N 361.463 1.850 0 40 FDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC(C)(C)C)c1 58190749 CTSRBAALESJGMH-BQYQJAHWSA-N 357.428 1.967 0 40 FDAB Cc1cc(C)c(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 58181627 UVUIHUODLHSEMU-UHFFFAOYSA-N 368.480 1.738 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(Br)cn1 58214130 JMZZCIRWWQCQIL-UHFFFAOYSA-N 374.235 1.294 0 40 FDAB COC(=O)CCN1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 58216061 FNBWQPZRZGCUAW-UHFFFAOYSA-N 366.414 1.033 0 40 FDAB CCOC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 58208864 NVQVKKXOLNRLPX-NSHDSACASA-N 360.457 1.146 0 40 FDAB CCCN1C(=O)/C(=C\NNC(=O)Cc2ccc(F)cc2)C(O)=NC1=S 25436572 GMUXUUFRMPXPSK-XFXZXTDPSA-N 364.402 1.367 0 40 FDAB COC(=O)COc1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 24950294 HTNTYVBUPHZTJS-UHFFFAOYSA-N 353.338 1.466 0 40 FDAB CC(=O)N[C@H](C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(C)C 11010002 BDQDHKJRKUTVDC-KRWDZBQOSA-N 361.490 1.718 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cccc(Cl)c2)CC1 24472057 YAPZEMHDMJSUSD-UHFFFAOYSA-N 367.833 1.807 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccs3)CC2)c1 12947563 YHUJATBTWNKDTA-UHFFFAOYSA-N 351.453 1.857 0 40 FDAB COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1OC 3618100 WULLNBWEXJHTAI-UHFFFAOYSA-N 368.393 1.168 0 40 FDAB O=c1/c(=C/c2ccccc2O)sc2n1CN(c1ccc(F)cc1)CN=2 13618162 DRSOIAVSMYPTCD-SXGWCWSVSA-N 355.394 1.638 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13693053 HCWMDKZNQGRFIV-CQSZACIVSA-N 370.453 1.322 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1cccc(C)c1C 49958165 AVKHUWNUUKYLPI-AWEZNQCLSA-N 366.487 1.490 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 8658492 SYRTXZUVJQSQHO-UHFFFAOYSA-N 373.453 1.855 0 40 FDAB CC(C)NC(=O)CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 65530029 YOGSEZQGEYMSEP-MRXNPFEDSA-N 367.858 1.910 0 40 FDAB CC(=O)Nc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 14246015 INVSYKSDNFMUKD-UHFFFAOYSA-N 358.398 1.473 0 40 FDAB C[C@]12CC=CC[C@@H]1C(=O)N(CCN1C(=O)[C@@H]3CC=CC[C@]3(C)C1=O)C2=O 4652757 IOWPIAKWRDDMBS-ILWKUFEGSA-N 356.422 1.669 0 40 FDAB COc1cc(CC(=O)Oc2ccc(-n3cnnn3)cc2)cc(OC)c1OC 5631947 RSMAOXLJDQGWNK-UHFFFAOYSA-N 370.365 1.836 0 40 FDAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942415 FMQXWRIEQOZIQH-NUOXCTMSSA-N 359.378 1.765 0 40 FDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)s1 15940564 LAIRTGHJFXDWQG-UHFFFAOYSA-N 365.459 1.930 0 40 FDAB CC(C)[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCOCC1 71795916 VVGZWASJFKQEFD-QGZVFWFLSA-N 358.394 1.568 0 40 FDAB COC(=O)c1c(NC(=O)COC(=O)c2nccnc2N)sc(C)c1C 9607642 WIYQLYBKUIYYLC-UHFFFAOYSA-N 364.383 1.319 0 40 FDAB COc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cc1OCC(=O)O 95424317 DTPDTMSFHGRYNK-AWEZNQCLSA-N 357.362 1.892 0 40 FDAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 95473741 IAPGJRFCOWHVIW-ZWKOTPCHSA-N 352.390 1.886 0 40 FDAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 95998140 QUKKKXNNQXCYMJ-UHFFFAOYSA-N 362.405 1.886 0 40 FDAB CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1 23360505 QMZAMLTVEASZQQ-UHFFFAOYSA-N 367.413 1.108 0 40 FDAB CCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc2c(c1)OCCO2 408703754 YCRBHQDUNBEWTK-UHFFFAOYSA-N 356.444 1.386 0 40 FDAB NC(=O)[C@@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 546655502 HAWYTCZXWDPHGO-SFHVURJKSA-N 371.412 1.743 0 40 FDAB O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NCc1cccs1 56997745 VWGSGUHYGBEJRH-UHFFFAOYSA-N 372.494 1.303 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccnn1CC(F)F 517568279 AYOUXSKZFNGXIQ-SNVBAGLBSA-N 371.365 1.113 0 40 FDAB O=C(N1CCN(CCc2ccncc2)CC1)C1(n2cnnn2)CCCCC1 79474262 YUDKVUFIXVHFHA-UHFFFAOYSA-N 369.473 1.114 0 40 FDAB COc1ccc2c(c1)CC[C@H](C(=O)N1C[C@H]3[C@@H](C1)OCCN3C(C)=O)C2 1552892652 KRCNWWJHDZNREB-YTQUADARSA-N 358.438 1.258 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCc1ccccc1)O2 38832969 UXSHJFQOVBTIAN-SFHVURJKSA-N 374.462 1.881 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCC(C)(C)C)[C@@H]2O)cc1 77264734 RFVWPHUYUQMUMZ-OAGGEKHMSA-N 356.488 1.037 0 40 FDAB biogenic,in-vitro Cc1c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2nn1C 32647459 CAWKVFOPQXVFFL-UHFFFAOYSA-N 350.741 1.265 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355152 SHXJKIKWPKXMIB-HNNXBMFYSA-N 359.474 1.192 0 40 FDAB CCOCCCNC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 224414867 VNHMBHMMKSMMMU-MRXNPFEDSA-N 372.487 1.783 0 40 FDAB O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 75155775 CESVBARWRUDEPI-FQEVSTJZSA-N 368.389 1.347 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 45866113 UFPWVJLFVYCJRF-UHFFFAOYSA-N 371.436 1.908 0 40 FDAB C[C@@H]1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CC2(CCOCC2)O1 571611116 NOQXFVQVIFRORX-CQSZACIVSA-N 374.503 1.181 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2c(OC)cccc2OC)C1 222616767 YQSMARRGWQQSLH-CYBMUJFWSA-N 370.471 1.382 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144718 QUZBLBHSQZLMNS-OAHLLOKOSA-N 354.410 1.159 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106107 UMPYEMIMUHZCPF-MRXNPFEDSA-N 354.410 1.962 0 40 FDAB CS(=O)(=O)N1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1)C2 96071551 HGYRINIQPNNSKM-HNNXBMFYSA-N 358.485 1.265 0 40 FDAB CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 330924602 UWBCIZCZZUGOBH-GDBMZVCRSA-N 360.520 1.854 0 40 FDAB CN1Cc2ccccc2CC2(CCN(C(=O)c3ccnnc3)CC2)C1=O 96161312 IVQMJYSSXMDJLH-UHFFFAOYSA-N 350.422 1.914 0 40 FDAB COCCC(=O)N[C@@H]1CC2(CCN(C(C)=O)CC2)O[C@@H]2CCCC[C@@H]12 257340702 ZHFVDDJYEQFYGZ-GVDBMIGSSA-N 352.475 1.868 0 40 FDAB COc1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cn1 257294592 QUUYWUJHNLPWBQ-YOEHRIQHSA-N 368.441 1.374 0 40 FDAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CCCN 257274784 NMQSELGCHSTTSD-UHFFFAOYSA-N 357.458 1.158 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCCn2cccn2)n1 257329152 XISUNPIYFOYJKX-QGZVFWFLSA-N 356.430 1.453 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCc1ccc(F)cc1 257331537 XTHPKNIKLFEJGW-CQSZACIVSA-N 353.419 1.568 0 40 FDAB CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 625963261 NZRIKJJKLFBISL-AWEZNQCLSA-N 374.409 1.581 0 40 FDAB C[C@@H]1CN(c2ccc(C(=O)N=c3ccn(CC(=O)O)[nH]3)cc2)C[C@@H](C)O1 630134376 APTJAPFILNWQOI-CHWSQXEVSA-N 358.398 1.256 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cc(-c2ccccc2F)on1 666944526 HEQOWRIFLXQULU-DGCLKSJQSA-N 369.374 1.414 0 40 FDAB CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(Nc3ncccn3)c2)C1 675503892 SNZIIOCKHQEJMG-OAHLLOKOSA-N 354.414 1.754 0 40 FDAB C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 681314124 OGWNDHZVYMJXPI-QANKYFMGSA-N 370.371 1.983 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)NCCC)C2)c1 1263722850 HOUMOLFRERFXAM-ZDUSSCGKSA-N 359.426 1.895 0 40 FDAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@H](C(N)=O)C2)cc1 614122683 PNZKWZLVLBVXCY-AWEZNQCLSA-N 367.405 1.895 0 40 FDAB Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)c1 585095263 LASMMDAPINKJHK-GOSISDBHSA-N 355.438 1.926 0 40 FDAB Cc1noc(CC(=O)N2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)n1 585113552 KWWNNUREUDTRTD-GOSISDBHSA-N 357.414 1.071 0 40 FDAB C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CCN1S(C)(=O)=O 585096708 AVYZWPVWTSEWFD-SECBINFHSA-N 357.823 1.242 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cnn(C(C)C)c3)C2)OC1 585104692 LAQVPJZVHYRVRZ-HNNXBMFYSA-N 370.519 1.384 0 40 FDAB O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccn(-c2ccccc2F)n1 673831100 VDWCTZBCQBOHFD-INIZCTEOSA-N 372.400 1.521 0 40 FDAB CC(=O)N1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)CC1 55094211 JKCGIRDWZMIBQA-GFCCVEGCSA-N 355.847 1.975 0 40 FDAB Cn1cc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)ccc1=O 1615154224 DYKJFCYISPNFPN-HXUWFJFHSA-N 367.405 1.033 0 40 FDAB COc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 1016224 LXQAROHKOWEULD-UHFFFAOYSA-N 354.472 1.906 0 40 FDAB Cc1c(C(=O)N2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 12142574 FNZWIICOCAUHGU-SUMWQHHRSA-N 368.441 1.257 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCn2c(nnc2C2CC2)C1 12158635 MRHNFWFBBGLYCV-ZDUSSCGKSA-N 369.400 1.690 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)Oc3ccccc3C(N)=O)cc2C[C@@H]1C 12968627 LMIOLDMHTAEMNI-NSHDSACASA-N 374.418 1.851 0 40 FDAB CC[C@@H](C(=O)N1CCN(CC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713669 VCHDCPJRINVWEK-KRWDZBQOSA-N 367.515 1.704 0 40 FDAB CC[C@H](C(=O)NCCCN(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13715976 YELYSKJIGAVPSH-OAHLLOKOSA-N 359.467 1.438 0 40 FDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)c2cscn2)CC1 19573677 RVZNUAKBCZFCHC-UHFFFAOYSA-N 351.453 1.961 0 40 FDAB Cc1ccccc1OCCC(=O)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710704 IRIBMEVABLSHJL-MRXNPFEDSA-N 369.469 1.865 0 40 FDAB CC(=O)N1CCC(N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)CC1 19760264 FGYZNXMVPNTLKX-KRWDZBQOSA-N 360.506 1.410 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)CCC(=O)O)C=C1COC(=O)[C@]12O 514288275 AHQLBRAJSCUBQQ-GWMUQRIZSA-N 366.410 1.824 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(S(N)(=O)=O)c2)no1 9499275 XGPHDJULQOUSJY-SNVBAGLBSA-N 367.383 1.123 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 3214206 IPNGWCBDARXHIS-OKILXGFUSA-N 354.472 1.967 0 40 FDAB O=C1CN(C2CN(c3nc4ccc(Br)cc4s3)C2)CCN1 1888869924 IOXRADLWBFEUSX-UHFFFAOYSA-N 367.272 1.679 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(Cc5nc(C(C)C)no5)C[C@H]4C3)nn12 1888881712 KSRXMCDPWLKDKN-KBPBESRZSA-N 368.445 1.507 0 40 FDAB COc1ccc(-n2ccn3c(=O)n(C[C@H]4CCCOC4)nc3c2=O)cc1 1888885413 HNJKZBVLJRZLDU-CYBMUJFWSA-N 356.382 1.082 0 40 FDAB O=C(c1cc[nH]n1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888897123 IAKMVULKXHDJGH-LLVKDONJSA-N 353.386 1.266 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(c4cnccn4)CC3)nc(C)n2)n1 1889138772 LKLJVCAEDMHAKS-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB CCOC(=O)c1cccc(O[C@@H]2CN(C(=O)c3cncs3)C[C@H]2O)c1 2037888067 XSRBCZSPHKUARV-ZIAGYGMSSA-N 362.407 1.584 0 40 FDAB Cc1cc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccccc4)C3)C2)n[nH]1 2056225844 CVCIBVIQAAUTPA-UYAOXDASSA-N 370.453 1.394 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)COCCN(CCN1CCCC1)C2 1614940384 BBHVBAOFYPNVOQ-GOSISDBHSA-N 365.518 1.060 0 40 FDAB CN1CCN(c2ncc3c(n2)[C@H]2CC[C@H]3N(C(=O)c3cc[nH]n3)C2)CC1 1565547167 GJKFYADRWMZUMU-SWLSCSKDSA-N 353.430 1.026 0 40 FDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cc(C3CC3)on1)CC2 1565553106 KSWHNIBIZLWESH-UHFFFAOYSA-N 360.439 1.951 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)CCCOc2ccc(F)cc2)CC1 12440759 YBVHTIRJDOZXLT-UHFFFAOYSA-N 374.434 1.699 0 40 FDAB O=C(Cc1ccccn1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732363 DWAUPRZXMDXVPB-HNNXBMFYSA-N 356.426 1.118 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 2055725608 IVBXBHJXUIJXIH-HYVNUMGLSA-N 352.456 1.570 0 40 FDAB COc1ccc(C(=O)N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c(OC)c1 2055839534 GPCPZQQWMHRKAQ-SCLBCKFNSA-N 358.398 1.542 0 40 FDAB CCn1cc(-c2noc(CNC(=O)c3cc4cccnc4nc3O)n2)cn1 575617275 RVOVHJAQWCUMKW-UHFFFAOYSA-N 365.353 1.532 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1nccnc1-c1cccnc1 585150390 HQQUHWQJAHHWSW-UHFFFAOYSA-N 362.393 1.289 0 40 FDAB Cc1cc(C)n(CCCNC(=O)Cc2csc(N3CCCC3=O)n2)n1 20918997 AFWFXXHLBPZUAE-UHFFFAOYSA-N 361.471 1.832 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](CCSC)C1=O 8131903 NJNGERZQRHGBMQ-SNVBAGLBSA-N 371.846 1.961 0 40 FDAB Cc1nc(SCC(=O)NCCN2C(=O)CSC2=O)nc(C)c1C 2616420 QIZUDLGZPRWQMT-UHFFFAOYSA-N 354.457 1.306 0 40 FDAB Cn1c(=O)c2c(nc(SCC(=O)c3ccc(F)cc3)n2C)n(C)c1=O 928658 DUARTJCDKUZEJT-UHFFFAOYSA-N 362.386 1.085 0 40 FDAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@](C)(O)CN1CCOCC1 76092341 GWONVEUDTBLERT-LJQANCHMSA-N 359.426 1.463 0 40 FDAB COC(=O)C[C@@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O 1630342 HTQIXMOSAIFIRX-WYRIXSBYSA-N 356.378 1.504 0 40 FDAB O=C(CSc1nncs1)NC(=O)Nc1ccc2c(c1)OCCO2 3413170 ZGUBPYSVACKTRF-UHFFFAOYSA-N 352.397 1.750 0 40 FDAB NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 4161007 ODWQQMIXUIGQDR-UHFFFAOYSA-N 368.440 1.099 0 40 FDAB CCCCCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 6308696 QHJGCBHTSXYJSZ-UHFFFAOYSA-N 358.460 1.776 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 52702258 YRPAFRASWICUKH-ZIAGYGMSSA-N 352.479 1.191 0 40 FDAB COc1ccc([C@H](O)CNC(=O)NCCc2nnc3n2CCCCC3)cc1 41449967 JQQIILNGOITGRN-MRXNPFEDSA-N 373.457 1.588 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCCCn2ccc3ccccc32)CC1 53550974 JECSWNOEXLVJDR-UHFFFAOYSA-N 364.471 1.318 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nnnn1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 104253447 DCUITSVYXGAIKJ-MPPDQPJWSA-N 364.475 1.751 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nnc(C3CC3)s2)s1 9336030 DGONQRJFRQPKGA-UHFFFAOYSA-N 372.497 1.821 0 40 FDAB Cn1c(=O)c2nc(Cl)n(CC(=O)c3ccc(Cl)cc3)c2n(C)c1=O 984110 HTTBOGKTNOKCKO-UHFFFAOYSA-N 367.192 1.623 0 40 FDAB O=C(CN1CCCCCC1=O)NCc1cccc(CN2CCOCC2)c1 70007229 OGFQSUMEBYMSOV-UHFFFAOYSA-N 359.470 1.538 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 23736121 FWOGZSMUIZCDFU-KRWDZBQOSA-N 373.497 1.956 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 43282590 NNPDHULTAFSKNE-KRWDZBQOSA-N 372.425 1.829 0 40 FDAB COC(=O)c1ccc([C@H]2NN(Cc3ccccc3)[C@H]3C(=O)NC(=O)[C@H]23)cc1 101946782 IYCFTSYTVJRMLQ-BRWVUGGUSA-N 365.389 1.176 0 40 FDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1F 24818433 DULLIJLGZQJYDK-UHFFFAOYSA-N 362.405 1.543 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1cccs1 102085227 YAISYCFMNVFTIF-FZTCLAKQSA-N 371.414 1.527 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 12521294 QFXWBSISDALSGF-UHFFFAOYSA-N 356.425 1.868 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 54277962 RXTMGHOLSTUHML-QGZVFWFLSA-N 352.442 1.649 0 40 FDAB COc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35349301 XKSBXBDCHLVCHF-UGSOOPFHSA-N 353.422 1.853 0 40 FDAB COCCCNS(=O)(=O)c1cc(OC)c(Br)cc1OC 27587883 WKEAQQADHMCZLA-UHFFFAOYSA-N 368.249 1.781 0 40 FDAB Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc2ccccc12 58225620 XUEQZUPQXJUNHU-UHFFFAOYSA-N 354.454 1.524 0 40 FDAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCC3 2115244 SSCQBGTYSDKBPR-WDEREUQCSA-N 359.378 1.947 0 40 FDAB biogenic Cc1cccc(OCCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 36389551 DVSOMNUGBBSGMS-UHFFFAOYSA-N 359.470 1.577 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C)CC1 36390061 UNDYYCWDJOERIW-UHFFFAOYSA-N 368.503 1.138 0 40 FDAB Nc1nc(N)nc(CSCC(=O)NCCSc2ccccc2)n1 12939356 IYCOHUPKQMBKKO-UHFFFAOYSA-N 350.473 1.178 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 13011891 MNLWVXYVDVEOCV-KBPBESRZSA-N 354.472 1.729 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 13120408 MWIKSMPZFPIGKT-VIFPVBQESA-N 355.803 1.353 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 5001067 YQCJRMUWJVQMRT-UHFFFAOYSA-N 370.471 1.393 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2[nH]nnc2C(=O)NC2CCCCC2)cc1 6173449 KYCMVWSGLVUDGP-UHFFFAOYSA-N 363.443 1.976 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 65858151 KSTPICXUDWALEJ-ZBFHGGJFSA-N 354.447 1.341 0 40 FDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CC1=O 8745436 RXDLPRHPWGGPTQ-CRAIPNDOSA-N 369.465 1.677 0 40 FDAB COC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2c1CC(C)(C)OC2 6661848 ODGBZMXUZYCXHR-UHFFFAOYSA-N 366.439 1.947 0 40 FDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 4723688 IPFUSCHZZJWDFR-CYBMUJFWSA-N 356.419 1.085 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2nc3nccc(C)n3n2)CC1 16024758 NAVJTDSXYHRNQB-UHFFFAOYSA-N 352.398 1.404 0 40 FDAB Cc1ccc(C)n1CCN1CCN(Cc2oc(CO)cc(=O)c2O)CC1 71282510 OJITZZCUZMIWGD-UHFFFAOYSA-N 361.442 1.074 0 40 FDAB Nc1c(C(=O)CSc2ccc(F)cc2F)c(=O)[nH]c(=O)n1C1CC1 9503746 YJSBDTMZKLVSLM-UHFFFAOYSA-N 353.350 1.707 0 40 FDAB COc1ccc(S(=O)(=O)N(CCCO)Cc2ccncc2)c(C)c1 95461669 ZSQZPWTYYFDKPJ-UHFFFAOYSA-N 350.440 1.972 0 40 FDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)n[nH]1 95473793 HTUXNLOBFPRREH-NSHDSACASA-N 364.413 1.961 0 40 FDAB Cn1cc([C@H]2NC(=O)CC[C@@H]2NC(=O)Cc2c(F)cccc2Cl)cn1 75105277 FRHUBOZDNPWTKP-WMLDXEAASA-N 364.808 1.891 0 40 FDAB COCCn1ccc(NC(=O)C(=O)NCCCc2c[nH]c3ccccc23)n1 86459715 BSEKLDGIXIHXRQ-UHFFFAOYSA-N 369.425 1.698 0 40 FDAB Cc1cnc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1 22700135 OYAWWSARBPFMKZ-UHFFFAOYSA-N 355.446 1.061 0 40 FDAB CC(C)Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 409098411 PVJVMMUSXQLDEM-UHFFFAOYSA-N 361.471 1.947 0 40 FDAB CN(C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccc(F)cc1 509105407 BFCSHEMLNWMSDW-ZDUSSCGKSA-N 357.451 1.985 0 40 FDAB COCCN(C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994538 IDFVBNZGRVJDNQ-UHFFFAOYSA-N 366.462 1.335 0 40 FDAB CC(C)[C@@H](NC(=O)[C@@H](C(C)C)n1c(O)nc2ccccc2c1=O)C(=O)O 6907215 JWBFBOBAOJUPJV-ZIAGYGMSSA-N 361.398 1.525 0 40 FDAB biogenic Cn1nc2c(c1C(=O)Nc1cnn(CC(=O)N3CCCCC3)c1)CCCC2 72345742 KQDSBEMWEWNVPG-UHFFFAOYSA-N 370.457 1.760 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@H]1C[C@H]2C=C[C@@H]1O2 72340752 BAPCDOLDFWIKOC-RYRKJORJSA-N 361.405 1.794 0 40 FDAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CNC)C3)n2)s1 72383034 FMGQTEHNEQGNLI-LLVKDONJSA-N 361.475 1.478 0 40 FDAB Cn1nc(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O 75166409 DFGOVAZVQSWZGA-AWEZNQCLSA-N 370.409 1.042 0 40 FDAB Cc1ccc(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)o1 223242923 ZHBQIYNIFWXSEK-QZTJIDSGSA-N 360.385 1.984 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1Cl 226686157 SFAPZNDOYIJWQD-UHFFFAOYSA-N 355.803 1.661 0 40 FDAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225192113 KEOLQDOMFSTMBI-LBPRGKRZSA-N 358.460 1.631 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccco1 40287840 YVEAAOBQUNEUNK-UHFFFAOYSA-N 356.426 1.810 0 40 FDAB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 225134871 KWQSHGLQXCDXMI-UHFFFAOYSA-N 355.393 1.799 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1OC 42242659 LUQPGSIVRCSKLY-KFWWJZLASA-N 350.459 1.860 0 40 FDAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cn1 332431441 JBTGDOYAJDZEFE-KBPBESRZSA-N 355.460 1.395 0 40 FDAB CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 330924603 UWBCIZCZZUGOBH-GOEBONIOSA-N 360.520 1.854 0 40 FDAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2 96069760 HGZIQCJWMUUXJJ-CQSZACIVSA-N 357.414 1.419 0 40 FDAB Cc1nc(C2(NS(=O)(=O)c3cccnc3C(=O)O)CCCCC2)no1 578320240 IAGAVABQHMESJY-UHFFFAOYSA-N 366.399 1.609 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)CC1 96231812 RSEORICDOVCHEE-UHFFFAOYSA-N 372.429 1.835 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)no1 96108781 KOFSZNOZVIFGON-CRAIPNDOSA-N 350.415 1.515 0 40 FDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)s1 96043088 CABAKNLUPXBTSI-AEGPPILISA-N 359.455 1.542 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 96227107 DOBIPUAXUUGTED-SJLPKXTDSA-N 360.435 1.997 0 40 FDAB C[C@@H]1N(Cc2cccnc2)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 96062265 RUFNZSRGOIOQEO-INIZCTEOSA-N 369.469 1.597 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C[C@H]1C(=O)O 96157059 BROWALSQFAGHPO-KRWDZBQOSA-N 373.453 1.680 0 40 FDAB CCS(=O)(=O)CCN1CCC2(CC1)CN(C)C[C@H]2COCC1CC1 248162450 YGPOYSWZHGFUNR-KRWDZBQOSA-N 358.548 1.492 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccc(Cl)cc1 245230453 RZXDLOXJDMNYRB-LKQDWFRTSA-N 350.802 1.537 0 40 FDAB Cc1ccc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)c(=O)n1C 257272866 NEDWSJJWCGYZET-IBGZPJMESA-N 356.426 1.829 0 40 FDAB CC(C)(NC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257261214 LGFBEBYTKDAFQC-BFYDXBDKSA-N 366.433 1.044 0 40 FDAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1cccc(N2CCCC2=O)c1 90613301 WZKSIXPLTNPFOA-MRXNPFEDSA-N 371.393 1.585 0 40 FDAB CCc1cnccc1C(=O)NC[C@@H]1OCCN(CC)[C@H]1c1cnn(C)c1 618144831 RKCYMHHLDAJGBJ-ROUUACIJSA-N 357.458 1.569 0 40 FDAB CN(C)c1cccc(CNC(=O)c2nnn([C@@H]3CCNC3)c2C(F)F)c1 638060467 WGPBCZSYKNTRTR-CYBMUJFWSA-N 364.400 1.746 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(CN2CCCC[C@H](O)C2=O)n1 643834899 BUPAVXYRICGZCE-ZDUSSCGKSA-N 374.397 1.133 0 40 FDAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3Cc4cccnc4C3)ncn2)C1 685941871 ITJFHWBAHOFGHD-HOTGVXAUSA-N 354.458 1.547 0 40 FDAB C[C@@H](CC(=O)O)CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 563423240 LYDOHDRRBBSTNF-CQSZACIVSA-N 371.437 1.882 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1Cc1ccc(F)cc1 585269066 JKWOOHSQVOPJOS-WMZOPIPTSA-N 356.401 1.968 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3OC)C2)OC1 585105562 ZZEJOIQYHGZNBT-HNNXBMFYSA-N 368.499 1.616 0 40 FDAB CC(C)CCNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585290238 PEPYNCFEZALDKY-WMZOPIPTSA-N 354.878 1.914 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 58975318 ADMWBSMXBOUMQS-UHFFFAOYSA-N 369.469 1.214 0 40 FDAB Cc1n[nH]c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 14803081 NTRCUOMOEQTOFU-UHFFFAOYSA-N 354.457 1.426 0 40 FDAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CCCO1)C2 19017318 NRQHXLWJRGXETC-IAGOWNOFSA-N 358.442 1.614 0 40 FDAB O=C(CC1CCCCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404474 KTMORHFUZUTXJK-HNNXBMFYSA-N 356.474 1.990 0 40 FDAB CCn1c(=O)c2c(nc3n2CCCN3c2cc(C)ccc2OC)n(C)c1=O 5252020 JIOXEXTWDLHTMN-UHFFFAOYSA-N 369.425 1.775 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(F)c2)NC(=O)N[C@H]1C 5149260 WLUJOUYAURMARW-VIFPVBQESA-N 366.345 1.510 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)nc1 1888870197 XHVAJXFONRHUML-FZKQIMNGSA-N 355.398 1.602 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CSc2ccccc2F)cc1 15613722 WAYCIMDOIDZFRQ-UHFFFAOYSA-N 354.428 1.882 0 40 FDAB CN(c1ccncn1)C1CCN(S(=O)(=O)CCC(F)(F)F)CC1 1849815395 ASMZCVNJJLROMO-UHFFFAOYSA-N 352.382 1.659 0 40 FDAB COCCNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 33709309 AZWPMLKCIVOOGC-HNNXBMFYSA-N 352.431 1.859 0 40 FDAB COc1cnc(C(=O)N2CC3(C[C@H](N4CCC(C)CC4)CS3)C2)cn1 2056223626 WXHGRKRZLXRDFB-AWEZNQCLSA-N 362.499 1.917 0 40 FDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)N(C)C)C3)C2)c1 2056226486 SFGUVEMACDYCBF-FUHWJXTLSA-N 352.406 1.282 0 40 FDAB Cn1cccc1CN1CCOCC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 1565541852 CFIOABMYGJWSBP-UHFFFAOYSA-N 357.458 1.503 0 40 FDAB C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 1565553389 XAZICDMUHVYQJJ-IIMJZQEZSA-N 364.486 1.604 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565552165 PRKHLARUIJTEQI-PHSQPZKOSA-N 355.438 1.171 0 40 FDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCN(c2ccccc2)CC1 4306451 AWIVENAJTZEPMJ-UHFFFAOYSA-N 370.478 1.700 0 40 FDAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1nnnn1-c1cccc(F)c1 9570676 HEXFYKWGQTYNIB-ALCCZGGFSA-N 367.340 1.860 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(c3ncccn3)C2)C1 2055830165 AVDTZVSWJZRIBR-LJQANCHMSA-N 366.425 1.646 0 40 FDAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)CCn1cncn1 31246775 BAEGEHMWEJEYFS-UHFFFAOYSA-N 369.347 1.619 0 40 FDAB COc1ccc(C(=O)COC2=C(O)C(=O)O[C@@H]2[C@H]2COC(C)(C)O2)cc1 20445731 UDWAYAMTSKEKEI-UKRRQHHQSA-N 364.350 1.741 0 40 FDAB C[C@@H]1CCCN(CCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 46380075 HQQSNVFFXFKGTQ-MRXNPFEDSA-N 374.485 1.592 0 40 FDAB CC1CCN(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CC1 60386742 GAKNYEVTZXTGAX-UHFFFAOYSA-N 361.442 1.926 0 40 FDAB CCn1cc(C(=O)N2CCC(C(=O)OC)CC2)c(=O)c2ccc(C)nc21 2636168 RHSKBPSNVGFPFC-UHFFFAOYSA-N 357.410 1.750 0 40 FDAB CC(=O)[C@H]1C(=O)N=C(Nc2nc3ccccc3s2)NC(=O)[C@@H]1C(C)=O 912717 UKVWGEBKUURLMY-VXGBXAGGSA-N 358.379 1.131 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1C(=O)C(=O)N(c2ccccc2)C1=O 32727478 DURYAQHZLMPFGN-UHFFFAOYSA-N 367.361 1.938 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccc(F)cc1F 32894332 XCSJJHYYIQHAER-QMMMGPOBSA-N 360.320 1.391 0 40 FDAB Cc1ccc(S(=O)(=O)NNc2nnc(Cc3ccccc3)c(O)n2)cc1 4225035 FJFRLZHUUGNAMG-UHFFFAOYSA-N 371.422 1.782 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 8560577 HWTKBDDZKPNMEA-ZDUSSCGKSA-N 370.471 1.635 0 40 FDAB COc1cccc(OC)c1-c1noc(CSc2nc(N)cc(=O)[nH]2)n1 8815911 NJXQSKKTGGAPAI-UHFFFAOYSA-N 361.383 1.712 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1 22410878 RBHLSWHZOFMYIC-SNVBAGLBSA-N 358.416 1.513 0 40 FDAB CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)CSC(=O)c1ccccc1 3117864 UAKZWVZPOCZMLK-UHFFFAOYSA-N 364.379 1.497 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24611743 PCDCCKCMXLXXBE-UHFFFAOYSA-N 368.499 1.690 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 24981328 TVZXVTPKKZUZIW-UHFFFAOYSA-N 353.378 1.649 0 40 FDAB C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@H]1O 108234910 RLUORQGMBKDXPO-DVUUPCGOSA-N 352.434 1.675 0 40 FDAB biogenic CCOC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(CC)C2=O)cc1 24992863 ATIVPBYTTJOPJP-UGSOOPFHSA-N 364.398 1.324 0 40 FDAB CC(=O)N1CCC(NC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)CC1 57986184 LMCICLVIJWVKEC-UHFFFAOYSA-N 356.426 1.605 0 40 FDAB CCOC(=O)N[C@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1 48286437 CMWWBNIKKZTCRF-LBPRGKRZSA-N 350.444 1.775 0 40 FDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58203230 LECMFUAKQKRUHW-WDEREUQCSA-N 363.451 1.932 0 40 FDAB C[C@H](Sc1nncn1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3396767 FDSUGNHFVWZXOV-ZETCQYMHSA-N 373.360 1.468 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3nc(-c4ccc[nH]4)cs3)cnc21 21448722 CQXJBIGDMWAVFD-UHFFFAOYSA-N 355.383 1.220 0 40 FDAB NC(=O)[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 11685216 LSPXLKXKPICEHN-CYBMUJFWSA-N 368.798 1.371 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1n[nH]c(=O)c2ccccc12 18004992 YXUOWPLVQUUOAE-GFCCVEGCSA-N 351.362 1.835 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 12977361 SIGLVVHLBLKLDH-ZDUSSCGKSA-N 371.393 1.852 0 40 FDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 49580888 HHHPYWQMMUGGEK-WBMJQRKESA-N 356.426 1.936 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5054652 YTKWCHZXSBADGB-INIZCTEOSA-N 360.326 1.004 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc(C)ccc12 18496027 USGOGDLFTKTUQT-ZDUSSCGKSA-N 364.423 1.935 0 40 FDAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc12 39998365 BNLUJJPDJNRSQV-NSHDSACASA-N 355.485 1.979 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(CCCN(C)C)C(=O)[C@@H]1C2 4761387 LCMPRWQYPXCLHA-AWEZNQCLSA-N 363.483 1.509 0 40 FDAB Cc1c(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 9184161 JEAPYQPSPLZEBY-NSHDSACASA-N 363.391 1.167 0 40 FDAB Cc1c(NS(=O)(=O)c2ccc(C(=O)O)cc2)cccc1-n1cnnn1 16100948 CPWHKJRQVPHIKU-UHFFFAOYSA-N 359.367 1.470 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)cc1F 7883143 IWOXBZILOQYRFP-LBPRGKRZSA-N 355.366 1.624 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ncccn2)CC1 8134424 XTPNNXJIGBKVMG-HNNXBMFYSA-N 357.414 1.173 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 8191632 SCQLOAMMWXTWBS-OAHLLOKOSA-N 364.467 1.884 0 40 FDAB COCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 8380843 MWYKJZHXJFWKQO-UHFFFAOYSA-N 367.254 1.473 0 40 FDAB CCNc1nc(Cl)nc(Sc2nc(N(C)C)nc(N(C)C)n2)n1 27333000 COIORXFQHGNKHJ-UHFFFAOYSA-N 355.859 1.425 0 40 FDAB Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 557089180 XDRRHFPUPGXXIK-VNHYZAJKSA-N 372.874 1.753 0 40 FDAB O=C1COc2ccc(CN3CCCC[C@@H]3C(=O)N3CCOCC3)cc2N1 508189557 GJZLLCSQRZLQDN-MRXNPFEDSA-N 359.426 1.231 0 40 FDAB C[C@H](NS(C)(=O)=O)C(=O)N1CCCN(c2ccccc2Cl)CC1 516602867 CFJOCJXDKVDLSU-LBPRGKRZSA-N 359.879 1.316 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@@H](C)Cn3cccn3)c12 36619039 XQLDZBKOHWISGH-NSHDSACASA-N 365.397 1.947 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 71285301 TUNJPBPIUJGDAQ-HZPDHXFCSA-N 360.410 1.983 0 40 FDAB NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 213753753 WBPJQMACTQCMCW-QGZVFWFLSA-N 369.421 1.863 0 40 FDAB CN1CCN([C@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1 36633862 KUQMPKCVTWTOGJ-ZDUSSCGKSA-N 352.232 1.328 0 40 FDAB CCc1cc(=O)n(Cc2ncc(C)c(OC)c2C)c(N2CCOCC2)n1 65307485 BMRWPRYIYVLCLP-UHFFFAOYSA-N 358.442 1.711 0 40 FDAB CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)[C@@H](C)CC 39945326 BBQABUDWDUKJMB-TVDPOAAXSA-N 357.495 1.506 0 40 FDAB CCCNC(=O)CN1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 72394432 AFISBBHYWXNAHS-UHFFFAOYSA-N 359.470 1.788 0 40 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FDAB CCCCc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 4270141 BPNMOCMUSYFLMX-UHFFFAOYSA-N 351.428 1.227 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)Cn3cnc4c(C)cccc4c3=O)cc12 22473097 MDZJBRYHEVCMGJ-UHFFFAOYSA-N 362.393 1.934 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1 13847848 JMPGEZSKMNPXIE-UHFFFAOYSA-N 372.454 1.252 0 40 FDAB CC/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 6294050 VYEGNLLJAWNWRY-FOCLMDBBSA-N 373.457 1.938 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3cccc(F)c3)ccc21 14200624 COMSUOPJSKKBNY-UHFFFAOYSA-N 355.369 1.821 0 40 FDAB Nc1nc(COC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc12 18328033 VPEOYXWZIRALSJ-UHFFFAOYSA-N 361.361 1.665 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4829733 PHQLHUMXMWAFON-NSHDSACASA-N 355.398 1.196 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)cc1Br 15016699 OONZXGWAWZOTJP-GFCCVEGCSA-N 371.187 1.964 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)c1 8942341 DBLHZORRCBABEW-UHFFFAOYSA-N 355.350 1.826 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)NCc2ccc(C)o2)c(=O)c1=O 67256528 FMKAQWOIOQJHJQ-UHFFFAOYSA-N 369.377 1.226 0 40 FDAB CCc1ccc(CN(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 15327782 NIGRBOYQYOTUME-UHFFFAOYSA-N 368.480 1.717 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1Cl 9157563 MMPRKYUEYUDFEA-UHFFFAOYSA-N 365.842 1.989 0 40 FDAB CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1 7735823 VCGQLYSHFNEPHL-UHFFFAOYSA-N 350.425 1.884 0 40 FDAB COc1cccc(N2CC[C@@H](CNC(=O)NCc3ccc(C(N)=O)o3)C2)c1 83208583 MCXATIKMHZZVEB-ZDUSSCGKSA-N 372.425 1.713 0 40 FDAB O=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@H]1C[C@H]1c1ccccc1F 84502258 WHUQBONTPZWGHJ-GJZGRUSLSA-N 363.385 1.838 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1 84715256 PISRKMPQJXCHMX-WCQYABFASA-N 357.501 1.241 0 40 FDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1C(N)=O 95467465 RTPXBZVIJSQENF-LLVKDONJSA-N 365.411 1.143 0 40 FDAB O=C(NC[C@H]1CN2CCN1CC2)c1cc(C2CC2)nc2ccc(F)cc12 89807242 SWAJOFJWDATHHE-HNNXBMFYSA-N 354.429 1.981 0 40 FDAB CC(C)(C)n1ncc2c1N=C(O)C[C@@]21C(=O)N(CC(N)=O)c2ccccc21 32074715 HYNCFGQHXJPSMZ-IBGZPJMESA-N 367.409 1.748 0 40 FDAB COCCNc1ccc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 501039087 YQGMGUAICZBHOF-IAGOWNOFSA-N 360.458 1.507 0 40 FDAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccnn1C 36615466 USRSANVHVANVQV-MRXNPFEDSA-N 365.397 1.948 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 36384651 DAYJBNCIXYOZJX-UHFFFAOYSA-N 368.441 1.046 0 40 FDAB CCNC(=O)c1nn(CC2CC2)c2c1CN(CC(=O)N(CC)CC)CC2 14532964 NIYOKPWZBZMYOM-UHFFFAOYSA-N 361.490 1.269 0 40 FDAB O=S(=O)(NCC1(O)CCOCC1)c1ccccc1Br 77193554 OYQRXDREQWWKOG-UHFFFAOYSA-N 350.234 1.269 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1 33655822 IQHSJBDXORMAGW-UHFFFAOYSA-N 352.387 1.905 0 40 FDAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(C)=O)CCO1 72389006 HKTUXFCSPXKYLE-HXUWFJFHSA-N 353.422 1.655 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C)cc2)s1 225806349 WNMILPKVAZQUNH-UHFFFAOYSA-N 370.456 1.552 0 40 FDAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2F)s1 225810749 WQXODDMTBLEOIU-UHFFFAOYSA-N 357.388 1.960 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cc1 225449988 HEGUWTUIHAWJAB-AWEZNQCLSA-N 362.455 1.693 0 40 FDAB CCn1ncc2cc(C(=O)N3CCNC[C@H]3c3nccn3C)c(C)nc21 574151089 VYANQAWYUARGHR-HNNXBMFYSA-N 353.430 1.280 0 40 FDAB CCCCS(=O)(=O)N(C)CC(=O)Nc1cnc(N2CCCC2)nc1 224278829 ZKYDVXATDGFFMG-UHFFFAOYSA-N 355.464 1.077 0 40 FDAB CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O 143479971 ZVJCAPAFUNQOTM-IUCAKERBSA-N 368.477 1.538 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96157873 GTCLIWQCOAWLQL-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96239380 QQNAPEYCFHFWKH-HNNXBMFYSA-N 357.501 1.616 0 40 FDAB COc1cccc(OC(F)(F)F)c1C(=O)Nc1ncn(CC(=O)O)n1 1594131907 VDLKAHYZTHNRSO-UHFFFAOYSA-N 360.248 1.522 0 40 FDAB Cn1cc(S(=O)(=O)N2CCN(CC(F)(F)F)c3ccccc32)cn1 331967780 KIFOTHKHBVPOOG-UHFFFAOYSA-N 360.361 1.998 0 40 FDAB C[C@H]1CCCN(Cc2csc(NC(=O)[C@H]3CC[C@@H](C(=O)O)O3)n2)C1 1594384739 RCQWSLULPYIULY-UHTWSYAYSA-N 353.444 1.946 0 40 FDAB Cc1cccc(COC[C@@H]2CN(C(=O)c3cocn3)Cc3cncn32)n1 247874902 NNVTVRQBCSUJOO-INIZCTEOSA-N 353.382 1.988 0 40 FDAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)s1 247827781 JSMAPDIBOMNSTI-GFCCVEGCSA-N 358.485 1.227 0 40 FDAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1 245237729 SYDYZOZTSPDJFO-LZWOXQAQSA-N 365.455 1.341 0 40 FDAB C[C@@H](OC(=O)c1cnn2cccnc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 43525245 MPPZBQOZXIPJTG-SNVBAGLBSA-N 355.310 1.822 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3ncc[nH]3)c2)N1 257267940 MJNGKIKKKTUBSV-ZQIUZPCESA-N 355.398 1.446 0 40 FDAB CCCn1cc(Cl)c(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)n1 257247851 JAVWKVOUJQFFEM-KBPBESRZSA-N 351.838 1.981 0 40 FDAB Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257318983 VQEVXAAGVODPLN-LRDDRELGSA-N 360.389 1.344 0 40 FDAB Cc1nccc([C@@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257212601 CEDFRNXRULGCIU-KRWDZBQOSA-N 350.382 1.784 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 250700268 SPFVQORJZWVGPZ-IRXDYDNUSA-N 358.438 1.632 0 40 FDAB Cc1cccc2c(CCC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)c[nH]c12 265931462 GCKANVIESFBIND-HNNXBMFYSA-N 363.483 1.949 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCN[C@@H](CCO)C1 710378399 XGNJOIUSPIPJOB-LBPRGKRZSA-N 363.277 1.102 0 40 FDAB O=C(O)[C@H](C1CC1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 635015924 IKTJPZKNKRUMGQ-OALUTQOASA-N 371.481 1.658 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)cc1 643928134 XNXLTHPKRJLYHS-OAHLLOKOSA-N 358.398 1.698 0 40 FDAB COc1ccc2onc(CC(=O)N[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)c2c1 644069261 NLWVIZPKPWZATG-MJEQTWJJSA-N 359.426 1.483 0 40 FDAB CCc1nccn1[C@H]1CCCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 654639460 TXMKSMQVLIIGIS-UONOGXRCSA-N 373.461 1.962 0 40 FDAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655583114 CEBIUGADENIFME-LEWSCRJBSA-N 353.440 1.955 0 40 FDAB CO[C@H]1CCCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 1616019016 TXADXTLDJOVIIK-KRWDZBQOSA-N 366.506 1.141 0 40 FDAB C[C@H]1CN(CCN(C)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 579486987 CYZCNNHPJUOEIA-IXDOHACOSA-N 374.485 1.543 0 40 FDAB Cc1ccc(C)c(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)c1 585105381 VQXMVPLRRGMBDS-MRXNPFEDSA-N 352.500 1.834 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)CN1CC1CC1 585103769 OZNRZEOPHNNWRA-SFHVURJKSA-N 360.502 1.702 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 585105536 ZAZSTNDDRQYKKV-HNNXBMFYSA-N 356.463 1.746 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccccn2)n[nH]1 585094790 MXTLIEZAUDBHAN-QGZVFWFLSA-N 352.442 1.990 0 40 FDAB O=C(CCn1ccccc1=O)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585275646 HPYMIOSOEOTYGE-SJLPKXTDSA-N 358.413 1.830 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)[nH]n1 585273585 WXHXUQYRYQSHFI-FQEVSTJZSA-N 373.453 1.990 0 40 FDAB O=C(CCN1CCOCC1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585277932 XWRKEUILSIUFFU-SJLPKXTDSA-N 350.434 1.300 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)C1 858582779 DBMJMWMKKMVNCJ-XBFCOCLRSA-N 369.890 1.662 0 40 FDAB Cc1cccn2c(CNC[C@@H]3CC(=O)N(C)[C@H]3c3nccn3C)cnc12 569993823 GUMPNWLLIVXFMT-WMLDXEAASA-N 352.442 1.685 0 40 FDAB COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1 178735824 FLCWBWULSBTMMM-GFCCVEGCSA-N 352.250 1.515 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119659 IPJHKOXDQNHXCN-LJQANCHMSA-N 360.410 1.364 0 40 FDAB Cn1ccnc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@@H]12 1549162622 SMCPCKXEPPOSLI-QGZVFWFLSA-N 367.453 1.311 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565525039 YLHYWCKIROERBZ-SECBINFHSA-N 362.432 1.660 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)C[C@H](C)O1 5153851 LTDUCPHGLJLPIF-AVGNSLFASA-N 364.467 1.881 0 40 FDAB CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 5266376 JDVWBOMWYPUKRF-GOSISDBHSA-N 360.414 1.423 0 40 FDAB Cc1nc(N2CCC[C@@H](NC(=O)CCn3nccc3C)C2)[nH]c(=O)c1C 12188593 HXXOROUPOUYLCI-OAHLLOKOSA-N 358.446 1.067 0 40 FDAB CN(CCCNS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 19074919 XAXBHWPQTYNTSZ-UHFFFAOYSA-N 368.480 1.676 0 40 FDAB CCn1c2ccccc2n2c(=O)n(Cc3nccc(OC)c3OC)nc12 19524282 CRUFKJWGXPILIR-UHFFFAOYSA-N 353.382 1.931 0 40 FDAB CCc1ccc(N(CC(=O)N2CCN(CC)CC2)S(C)(=O)=O)cc1 19522902 OBUDNQYCYMWKHE-UHFFFAOYSA-N 353.488 1.179 0 40 FDAB CCOc1nc(=NC[C@H]2CCCN2c2cc(NC)ncn2)[nH]cc1Cl 651306321 FBLMNUSWVFFXND-LLVKDONJSA-N 363.853 1.863 0 40 FDAB Cc1nc(NC(=O)COC(=O)C2=NNC(=O)CC2)c(Cl)cc1Cl 4334040 QCJVHIJEEBIDAA-UHFFFAOYSA-N 359.169 1.445 0 40 FDAB CCCCn1nc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ccc1=O 29162088 XYRMKBUDRFTOSF-UHFFFAOYSA-N 364.427 1.667 0 40 FDAB CS(=O)(=O)CCC(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056223878 FSWXBOQZSPTWJA-CALCHBBNSA-N 356.532 1.782 0 40 FDAB O=C(c1ccccc1)N1CCC(C(=O)N2CC[C@@H](c3ncon3)C2)CC1 253473438 UWSAONNKYJSOGS-MRXNPFEDSA-N 354.410 1.938 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 1565544064 CSNAXGBAVGGQHV-QRKMNUTDSA-N 369.465 1.848 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565550525 BFBZLNZDVPVETR-LPHOPBHVSA-N 355.442 2.000 0 40 FDAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NC[C@H]1CCCO1 4328100 XKLDACKZFQQIQB-CYBMUJFWSA-N 370.438 1.574 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3ccncc3)c2C)n1 16980425 NULNPJIYPUICTK-UHFFFAOYSA-N 366.425 1.525 0 40 FDAB COc1ccc([C@H]2CCCCN(S(=O)(=O)N3CCOCC3)C2)cc1 206888128 BBNVQECATUDOCI-INIZCTEOSA-N 354.472 1.842 0 40 FDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 40152035 GIRVDOCFROHNAK-GFCCVEGCSA-N 364.471 1.938 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1 40155198 LSTRQBXZPRULRF-UHFFFAOYSA-N 372.424 1.152 0 40 FDAB CCN(CC)C(=O)CNC(=O)N1CCC(NC(=O)c2ccc(C)o2)CC1 51281629 TVKWJJLBPSSKJG-UHFFFAOYSA-N 364.446 1.360 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Br)CC(O)=N2 20745094 GTKCVHGPMRZFGP-VIFPVBQESA-N 364.199 1.970 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)n1 101688197 CKRQUHNWQKSCQZ-UBHSHLNASA-N 352.398 1.144 0 40 FDAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 32754464 BPRCIYZWAGDQPN-NSHDSACASA-N 370.409 1.288 0 40 FDAB COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1760614 FQJFZXKVDQCNJS-UHFFFAOYSA-N 370.210 1.330 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 79188418 GZJSOCLKHOGTFU-FUHWJXTLSA-N 354.454 1.777 0 40 FDAB biogenic O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 6648029 CLUAVZIHIZEFJP-UHFFFAOYSA-N 366.329 1.734 0 40 FDAB COC(=O)c1ccc(OC)c(Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679730 FSSKQDPNGBAMDX-UHFFFAOYSA-N 360.391 1.605 0 40 FDAB Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)nn1C 9001770 DIZPBSTTYSAVBF-UHFFFAOYSA-N 350.425 1.994 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)OC 55037000 ADNYRPASIRNTFT-RYUDHWBXSA-N 352.456 1.985 0 40 FDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCCN(c2nccs2)CC1 106864923 ALTNJGPPAOQPLT-KFWWJZLASA-N 352.504 1.680 0 40 FDAB COc1ccc(-c2csc3ncnc(N4CCN[C@H](C(N)=O)C4)c23)cc1 57398769 FETSKWYNFHRMKR-AWEZNQCLSA-N 369.450 1.630 0 40 FDAB C[C@H](OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 57645953 ZYRABCWPXSQQGG-NSHDSACASA-N 367.365 1.101 0 40 FDAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H](C)C(=O)NC(N)=O 12620012 URWUOQCJHVIMIX-QMMMGPOBSA-N 365.367 1.642 0 40 FDAB CCSc1cc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccn1 58218049 FOUWSUCKFBCZNU-UHFFFAOYSA-N 357.501 1.690 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Cc3ccccc3O)CC2)C1 58244846 MCXPVBVMLBBWNL-IRXDYDNUSA-N 373.497 1.583 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 23256890 TZMYVUIEFGAYOZ-IAGOWNOFSA-N 372.513 1.408 0 40 FDAB COc1cc(CNC(=O)NCc2cccnc2N2CCN(C)CC2)ccn1 58357695 OYVIFQZDBXQKNB-UHFFFAOYSA-N 370.457 1.236 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2ccc3c(c2)OCO3)c1=O 10911236 YJJPLIQHMDPNMU-UHFFFAOYSA-N 368.267 1.578 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 12815179 CPGSHFDCWYEXHR-UHFFFAOYSA-N 374.510 1.929 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)C1 3585996 HTFIOTDNXVFDPB-CHWSQXEVSA-N 357.410 1.595 0 40 FDAB COC(=O)CNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC 12916707 LIHNYCOMKZSUIU-UHFFFAOYSA-N 357.288 1.803 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCn2cccc2[C@H]1C 14186941 XLJSJRGPGNTNKP-OAHLLOKOSA-N 370.453 1.937 0 40 FDAB CN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6836450 RLSGLVLQNITMSU-UHFFFAOYSA-N 354.428 1.106 0 40 FDAB COc1cc(C(=O)O[C@H](C)CN2CCN(C)CC2)cc(OC)c1OC 19456165 QNLONBBBXLDKDU-CYBMUJFWSA-N 352.431 1.505 0 40 FDAB CCOC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1C(=O)OCC 4969605 MGQOOAVPVPSARE-UHFFFAOYSA-N 360.370 1.579 0 40 FDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 6904194 YOXDXGGWTNQIQY-GXDHUFHOSA-N 357.345 1.238 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 6968932 BBBFHVVVGUUWLB-UHFFFAOYSA-N 360.435 1.847 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2sccc2C2CC2)C[C@@H](C)O1 67163430 DDOAORKHCOVQOD-TXEJJXNPSA-N 372.512 1.794 0 40 FDAB CCOCCCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 9153968 OPQCOSACLGZCIZ-UHFFFAOYSA-N 369.468 1.455 0 40 FDAB O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCN2C(=O)NC[C@H]2C1 96012447 DWKZEELUYUNFQI-ZDUSSCGKSA-N 360.414 1.728 0 40 FDAB CCN(C)C(=O)c1cn2c(nc1=O)C1(CCN(c3ncccn3)CC1)CC2 306139232 SSSKHSDCJRIZDL-UHFFFAOYSA-N 368.441 1.067 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 8314070 YOMIGZOWLAWMMJ-YOEHRIQHSA-N 370.446 1.274 0 40 FDAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)n1c(=O)[nH]c2ccccc2c1=O 17027615 NACDGHBUVVLELO-HNNXBMFYSA-N 366.377 1.379 0 40 FDAB CCN(CC)CCN/C(C)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 19928698 BXEQZDCGYBFQIW-JQIJEIRASA-N 358.442 1.470 0 40 FDAB COc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 19924197 VNYACMHMQAIWAG-UHFFFAOYSA-N 353.386 1.905 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 9750491 QAMKNVZVOOPBNW-NSHDSACASA-N 359.386 1.418 0 40 FDAB CCNC(=O)CNC(=O)CSc1nnc(NC2CCCCC2)s1 9951343 YAFPPAKCMVEPRS-UHFFFAOYSA-N 357.505 1.627 0 40 FDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 89488022 DOQPKCDLZZUOSM-INIZCTEOSA-N 358.442 1.880 0 40 FDAB COc1c(C)cnc(Cn2nc3c(-c4nc(C)no4)cccn3c2=O)c1C 75166019 AKFASEKISJVQGE-UHFFFAOYSA-N 366.381 1.923 0 40 FDAB Cc1ccsc1S(=O)(=O)N1CC[C@@]2(COCc3cncnc32)C1 306132999 LYNODVNMSQEVKO-HNNXBMFYSA-N 351.453 1.709 0 40 FDAB O=C(NCCCNC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1 20731953 PRAFSMSDQWCMCB-UHFFFAOYSA-N 356.407 1.535 0 40 FDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccccc1O 409412300 GZHGCMHYYWPERP-UHFFFAOYSA-N 361.471 1.537 0 40 FDAB CN(C)CC(=O)N1CCC(C(=O)NC2CCCCC2)(n2cccn2)CC1 306139668 TXBHLPFQZUZHRH-UHFFFAOYSA-N 361.490 1.211 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1C 36610951 XPLZUXSFYCOSQE-ATLSCFEFSA-N 372.469 1.379 0 40 FDAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218151060 LDAHIZNWKILVRD-DZKIICNBSA-N 371.480 1.625 0 40 FDAB C[C@H](C(=O)O)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326482 ZLVHYSNXCHQSOG-ABKXIKBNSA-N 351.790 1.677 0 40 FDAB CCCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 72228529 GIDZCSOPMHOSRF-AWEZNQCLSA-N 359.426 1.573 0 40 FDAB O=C(c1cc([C@H]2CCCCN2C(=O)c2cccnc2)n[nH]1)N1CCOCC1 72380548 ZZFUJRRRPRZUPU-QGZVFWFLSA-N 369.425 1.645 0 40 FDAB CC(C)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223380689 SFQKFVUPLFIHRJ-INIZCTEOSA-N 356.426 1.300 0 40 FDAB Cc1cnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)s1 40286059 ZMFGXKQMTVFZSS-QGZVFWFLSA-N 356.407 1.999 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NC(C)C)cn2)cc1 223385484 IJDMXDSCSHHYLD-UHFFFAOYSA-N 362.455 1.744 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1 47576088 QHLGPQUIIKTCJY-UHFFFAOYSA-N 362.407 1.818 0 40 FDAB COC[C@H](C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225731506 ZVURPWJJPRFWFC-JTQLQIEISA-N 353.216 1.915 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCN(Cc3ccccn3)C2)C1 96225797 UWUNQACJMFGJNC-LJQANCHMSA-N 351.410 1.514 0 40 FDAB CC(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCCCC4)cn23)C1 96156734 SJIICAWFOUJEGN-INIZCTEOSA-N 370.457 1.190 0 40 FDAB CN(C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 248104097 IHDWJFXDGVCUSV-INIZCTEOSA-N 362.499 1.480 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2c(C)noc2C)CCN1CCc1ccccc1 257337665 YTVMQUHXVAQHMT-QGZVFWFLSA-N 370.453 1.407 0 40 FDAB O=C(NCCn1c(O)nc2ccsc2c1=O)c1cnc(O)c(Cl)c1 253537671 FAFLAIATURTZMZ-UHFFFAOYSA-N 366.786 1.348 0 40 FDAB CCN(Cc1ccccc1C(=O)O)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257310774 UGMZHDPJYYAZJO-SFHVURJKSA-N 357.414 1.555 0 40 FDAB C[C@@H](NC[C@@H]1C[C@H](O)[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O)c1ccccc1 257278235 OBKBPTYCNHAIRW-RZQILNRJSA-N 368.441 1.042 0 40 FDAB O=C(O)[C@H]1CN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 666549152 YQKARMKOWAZNLG-GFCCVEGCSA-N 363.197 1.867 0 40 FDAB Cn1nc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2c1CCOC2 96104027 CRXZSWYWXZBLRH-UHFFFAOYSA-N 359.810 1.764 0 40 FDAB Nc1ccc(-c2ccc(N3C(=O)NC[C@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 575421979 KCGQKUZCHCMWTF-YOEHRIQHSA-N 357.435 1.879 0 40 FDAB Cc1cc(C(=O)N2CCn3c(COc4ccccn4)nnc3[C@H]2C)no1 585097624 OCUDRYBWZDVJAH-GFCCVEGCSA-N 354.370 1.766 0 40 FDAB Cn1ncc2c(N3CCN(C[C@H](O)c4ccc(F)c(F)c4)CC3)ncnc21 51288003 MLUHBOMPCFYCQM-INIZCTEOSA-N 374.395 1.497 0 40 FDAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCS(N)(=O)=O 56862733 VEHCLLVIIMAFKW-UHFFFAOYSA-N 361.782 1.461 0 40 FDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N[C@H]1CCS(=O)(=O)C1 59035120 NVOPBETZIOTZPL-VIFPVBQESA-N 353.322 1.331 0 40 FDAB C[C@@H](O)CN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 85436916 DXLPZWYNHCSUPH-GOSISDBHSA-N 359.514 1.466 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O 643876583 YRBAPHNHTGPRDW-DOTOQJQBSA-N 374.485 1.865 0 40 FDAB O=S(=O)(NCC1CC1)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188757744 GIVIMJIXQARASU-UHFFFAOYSA-N 361.338 1.808 0 40 FDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1)C(=O)O 2560898 NOTCFISCFHKOHX-AULVFQMTSA-N 356.378 1.610 0 40 FDAB Cn1cccc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@H]12 1549162510 RHYJSINDSGZEMT-IBGZPJMESA-N 366.465 1.916 0 40 FDAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)C4CC4)C[C@@H]23)n1 1549161694 JSXHQNJFCIQRRA-OAHLLOKOSA-N 371.441 1.197 0 40 FDAB COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](O)(CO)[C@@H]1C(=O)O)OCO3 5809647 NGTIFJDPPBHRMW-LNLFQRSKSA-N 374.345 1.330 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009196 KAVKXEKJXHACPU-UHFFFAOYSA-N 370.438 1.173 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc2c(c1)OCCO2 14140054 OYXZAJFGXOHNEK-UHFFFAOYSA-N 362.407 1.344 0 40 FDAB C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@@]312 4084188 WQMGIEOKPKMWEY-FEUSSREZSA-N 358.434 1.718 0 40 FDAB biogenic,in-vitro O=C(NCc1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1)C1CCC1 19334521 QOAMAZVXKGPWCW-UHFFFAOYSA-N 368.437 1.965 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CC(F)(F)C5)C[C@@H]4C3)nn12 1888849414 NCIYJWQYMPEWHX-STQMWFEESA-N 362.384 1.373 0 40 FDAB Cc1cccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCSCC3)C2)c1 1888930287 MFJILVCRJSMNNP-MRXNPFEDSA-N 363.483 1.210 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncncc4F)CC3)nn2)n1 1889139009 HRBPWUUHSJMJIS-UHFFFAOYSA-N 354.393 1.535 0 40 FDAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCNS(C)(=O)=O 32637561 DIRTWOIOZRBAOS-VIFPVBQESA-N 369.270 1.816 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(N)=O 32739216 GHDQOMHQGFNBQO-INIZCTEOSA-N 374.441 1.597 0 40 FDAB CC(=O)N1CCC(N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)CC1 2037985236 CERIFYOTNSIOPS-XLIONFOSSA-N 371.481 1.751 0 40 FDAB Cn1cnc2c(N3CC[C@H](COc4ccc5nccn5n4)C3)ncnc21 2087056943 IVLZONPYVODINQ-LBPRGKRZSA-N 350.386 1.311 0 40 FDAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc21 4751578 QDZRJWQVRMDPTP-UHFFFAOYSA-N 360.391 1.413 0 40 FDAB CN(C)CCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055772101 WSCIAXQKNCNLQY-HNNXBMFYSA-N 361.490 1.140 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cccc(OC)c2)CC1 2055745827 FQCAOZRQPUIIDR-UHFFFAOYSA-N 357.458 1.043 0 40 FDAB CN1CCCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 19719659 JDZWEAASODEBPF-QGZVFWFLSA-N 374.510 1.709 0 40 FDAB COC(=O)c1ccc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 40072330 BXLDFBQGZYASOJ-CHWSQXEVSA-N 356.444 1.259 0 40 FDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 40069983 JCSYAPNMCAQMOY-GOSISDBHSA-N 355.438 1.869 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)CC1 20358208 CMAJIRGSIIOOPH-INIZCTEOSA-N 365.499 1.809 0 40 FDAB COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298928 QBHJRPSOPSDVTR-OLMNPRSZSA-N 361.490 1.584 0 40 FDAB biogenic,in-vitro COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1 12389720 KQBQRRKWWJVDGE-UHFFFAOYSA-N 352.354 1.882 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2cccc(CS(C)(=O)=O)c2)s1 42317283 HPPCDTRVFMUWJR-UHFFFAOYSA-N 373.477 1.720 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)no1 24212012 BMCVJEDSKJPZCA-LBPRGKRZSA-N 371.349 1.970 0 40 FDAB O=C(C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)N1CCCC1 25767866 DHFXNOKRYNZGPQ-UHFFFAOYSA-N 358.410 1.988 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 26496395 KCAUDKRBKNKNDZ-UHFFFAOYSA-N 373.390 1.187 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCc2c(sc3ncnc(N)c23)C1 10057689 FZELFUURARTUEQ-UHFFFAOYSA-N 356.455 1.751 0 40 FDAB COc1ccc(OCCNC(=O)Cn2cnc3sccc3c2=O)cc1 10291354 RDIMDQPANVEEAN-UHFFFAOYSA-N 359.407 1.662 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1cc(Cl)cc(Cl)c1 58218219 SOGSHQAZVRXNGZ-UHFFFAOYSA-N 370.236 1.970 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(F)c1 12775729 OMQOSQVSWJLGIH-LLVKDONJSA-N 367.402 1.238 0 40 FDAB CCN(CC)CCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 11691368 MBZJRTDAYALIBT-UHFFFAOYSA-N 355.442 1.648 0 40 FDAB COc1ccc(C)cc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3428037 RFPDDFYSMRPMJL-UHFFFAOYSA-N 355.354 1.545 0 40 FDAB COC(=O)c1cc(NC(=O)COC(=O)c2cccn2C)cc(C(=O)OC)c1 3543143 CUWCJWWZDGOKCH-UHFFFAOYSA-N 374.349 1.394 0 40 FDAB CN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 12906639 YFHUDUGIHDFHGF-MFKMUULPSA-N 354.453 1.135 0 40 FDAB Cc1ccc2c(CC(=O)N3CCN(CC(=O)NC4CC4)CC3)coc2c1 14092912 RQLJSDVVNMDYAE-UHFFFAOYSA-N 355.438 1.707 0 40 FDAB Cc1c(C)n(CCCN(C)C)c2ncnc(NCCN3CCOCC3)c12 5345460 MYAQHFKOULAPAG-UHFFFAOYSA-N 360.506 1.744 0 40 FDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CC1 6461494 GQBJLKKHMUKWOM-GFCCVEGCSA-N 366.439 1.295 0 40 FDAB CCN(C(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1)[C@H]1CCS(=O)(=O)C1 14240852 ULZZAZWXGZYLRM-KBPBESRZSA-N 371.528 1.918 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CCOc2ccccc21 24647650 DZBVTPUDVKFQAP-AWEZNQCLSA-N 357.410 1.881 0 40 FDAB COc1ccc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 5704815 LTHBYIDJIIKETQ-UHFFFAOYSA-N 364.423 1.324 0 40 FDAB CN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 8724095 XMEPKEVEYFPNLW-HZPDHXFCSA-N 355.500 1.843 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)s1 67559837 RDJPOUPBJLIDBD-CHWSQXEVSA-N 369.443 1.890 0 40 FDAB CN(C)CCCNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 8990788 WGDANEZXFFFZGW-XFXZXTDPSA-N 353.469 1.852 0 40 FDAB CS(=O)(=O)c1ccccc1C1(O)CCN(C(=O)C(F)(F)F)CC1 96029639 WZFSVQKZZWVKIQ-UHFFFAOYSA-N 351.346 1.462 0 40 FDAB COc1ccc(-c2cc3nn(CC(=O)NC(C)(C)C)c(=O)n3c(C)n2)cc1 65196715 DZIBTTBQFDTQMS-UHFFFAOYSA-N 369.425 1.790 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N(CCO)Cc1ccccc1 9420763 MJKLZBXSKFCHBR-UHFFFAOYSA-N 351.406 1.808 0 40 FDAB CC(C)c1cc(NC(=O)NCc2nnc3n2CCC3)n(-c2ncccn2)n1 97164586 QSQWCOXYCMAKIG-UHFFFAOYSA-N 367.417 1.645 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)/C=C/c2cnn(C)c2)c1C 9723644 SEZUKXLVKKGBQJ-VOTSOKGWSA-N 362.455 1.939 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 84101464 FEVMYTNLCCHNNG-WBVHZDCISA-N 361.419 1.718 0 40 FDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 23652698 LTFAMEQWTFTCLC-UHFFFAOYSA-N 353.488 1.996 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccon2)cc1C(=O)N(C)C 95461647 CEGJLNNQFNIDDH-JTQLQIEISA-N 353.400 1.425 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C(C)(C)CO1 95459613 INAQBZZWBBEATR-GFCCVEGCSA-N 356.444 1.704 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(CC3=CCCOC3)CC2)cc1 179538810 LSUMWPREMMDXRS-UHFFFAOYSA-N 352.456 1.348 0 40 FDAB CCOc1nc(C)ccc1C(=O)N1C[C@H]2COC[C@]2(c2nnc(C)o2)C1 1551076547 HNJOZWDMHZOWFI-SCLBCKFNSA-N 358.398 1.520 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nnc(C3CC3)n2C)C1 548337556 BTTSRYJTYAVDRL-QGZVFWFLSA-N 360.487 1.695 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35507025 DKDMRRWOJGUHRK-ZDUSSCGKSA-N 357.313 1.773 0 40 FDAB Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2nc(N)nc(N)n2)c1 1515083272 QXLGRGBKYGGRIU-AWEZNQCLSA-N 356.430 1.442 0 40 FDAB Cc1noc(C)c1-c1nc(N2CCN(C)CC2)ncc1-c1cnccn1 72337505 QKFNDCSQGJZFAF-UHFFFAOYSA-N 351.414 1.957 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2n(C)c1=O 72374601 FIZDIHYNVQGPRP-INIZCTEOSA-N 370.453 1.876 0 40 FDAB COC(=O)C1(NCc2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 329780388 UJCBCQDJNRIKGX-UHFFFAOYSA-N 350.415 1.947 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCCO)cc1 194995914 LMKLDNSKBDVBSZ-AWEZNQCLSA-N 354.472 1.752 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1cccc(F)c1 223834747 FQNKVNWFDZJQDQ-UHFFFAOYSA-N 366.414 1.787 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Oc4cccnn4)C3)nc2n1 225457005 OLGWUYGDVHZZQD-CYBMUJFWSA-N 353.386 1.215 0 40 FDAB Cc1ccc(-n2cnc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)cc1 227116389 KLFLSLDWHWLBJQ-GOSISDBHSA-N 368.437 1.644 0 40 FDAB COc1cccc(Nc2ncnn3ccc(CN4CC[C@H](N)[C@H](O)C4)c23)c1 98091230 CSGQVNMSRKWUSH-DLBZAZTESA-N 368.441 1.375 0 40 FDAB COc1cccc(C(=O)N2CCn3nnc(COc4ccccn4)c3C2)c1 96255990 IJOWTKVIMIFYGY-UHFFFAOYSA-N 365.393 1.917 0 40 FDAB CNC(=O)N1CCc2cc(C(=O)NCC3CC3)c(NC(C)C)nc2CC1 96260469 XFJDXYBRWPOJCL-UHFFFAOYSA-N 359.474 1.782 0 40 FDAB O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2)c1ccno1 96206663 BSXKHEBMMVBGOZ-MJGOQNOKSA-N 356.426 1.871 0 40 FDAB C[C@H]1N(Cc2cccnc2)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 96062264 RUFNZSRGOIOQEO-MRXNPFEDSA-N 369.469 1.597 0 40 FDAB CN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccccc1F)CC2 96255434 CDDSRHGPWHGTRP-UHFFFAOYSA-N 350.419 1.471 0 40 FDAB CN(C)CC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 247942840 AJALYDSFVHYULD-QGZVFWFLSA-N 361.486 1.948 0 40 FDAB COc1cccc(OC)c1CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 257270287 MTNZRSBRQXFCEE-HZPDHXFCSA-N 357.410 1.074 0 40 FDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2O)cc1 257296324 RCGMPPQSXSPEAA-IAGOWNOFSA-N 359.353 1.717 0 40 FDAB Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257242814 IEGPWNXCRDCCBK-QZTJIDSGSA-N 355.390 1.886 0 40 FDAB CC(=O)N1CC2(CCN(CC(=O)N3CCCC3)CC2)C[C@@H](O)C1(C)C 257240885 HVOUBAZUBDGTIS-MRXNPFEDSA-N 351.491 1.083 0 40 FDAB Cc1c(CCC(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)cnn1C 257295526 QYRDIIACPNSZBC-IXDOHACOSA-N 354.458 1.800 0 40 FDAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 260801581 FYSUIXFFSPYGOV-QRTARXTBSA-N 364.467 1.626 0 40 FDAB COc1cccc(C2(NC(=O)[C@H]3CC[C@@H](C(=O)N4CCCC4)O3)CC2)c1 1615557141 GBEUIAPSDNQTHE-SJORKVTESA-N 358.438 1.971 0 40 FDAB CCCC[C@H](COC)NC(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C 605983492 IXAIZCFZRBULMM-BZUAXINKSA-N 357.495 1.764 0 40 FDAB CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@@](C)(O)CC1 625170048 VHPCCMJYRIIGMA-DLBZAZTESA-N 359.463 1.950 0 40 FDAB Cc1noc(C)c1C(C)(C)NS(=O)(=O)CCCN1CCN(C)CC1 632335334 HFFRRPXIOPEHTF-UHFFFAOYSA-N 358.508 1.083 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 643937743 JCNDLUJYAUJDOF-HNNXBMFYSA-N 351.472 1.434 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)CCc2cccc(OC)c2F)C1 644033196 NJOMEIKFOZVQPS-GOSISDBHSA-N 352.406 1.257 0 40 FDAB Cc1ccc(C(=O)N2CC(n3cnc4c(N)nc(N)nc43)C2)c(O)c1C 1652238837 UDJCBWHMXHLVJX-UHFFFAOYSA-N 353.386 1.010 0 40 FDAB COc1ccc(OC)c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 5216781 RPGPAIJROWAPFT-UHFFFAOYSA-N 372.377 1.887 0 40 FDAB O=C(COC(=O)COc1cccc(Cl)c1)NC(=O)NCc1ccco1 5802197 YAPZWFVQQFYCPY-UHFFFAOYSA-N 366.757 1.881 0 40 FDAB CCc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 12113704 NVFJQGJLJHLOJM-UHFFFAOYSA-N 370.409 1.778 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2noc(-c3cccs3)n2)c1 12552538 KHKXZVOCZGTNOU-UHFFFAOYSA-N 366.424 1.258 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccccc1 16291326 GYMWRSZYMVSYPU-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB CN(C)CCn1nc([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)c2cccnc21 19583133 PPTHBNQBGGWORX-GDBMZVCRSA-N 357.458 1.488 0 40 FDAB CCN=c1nc(N2CCN(CC(=O)N3CCCCCC3)CC2)cc(C)[nH]1 1889128377 HYEWNBSYYTYOTC-UHFFFAOYSA-N 360.506 1.163 0 40 FDAB CCN=c1ccnc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)[nH]1 1889179239 RFRPYPVPKBLKCE-UHFFFAOYSA-N 364.457 1.577 0 40 FDAB Cc1noc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2c2ccccc2)n1 245026659 NFHYTWZJJLRIOI-GJZGRUSLSA-N 365.393 1.495 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3csnn3)C2)CC1=O 1565555718 OLZHAJUSSQYHOW-MRXNPFEDSA-N 361.427 1.408 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)CC1 1565556666 YQSPEOGQURFZSE-MBOZVWFJSA-N 374.485 1.737 0 40 FDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 4139911 FZIDPTHYLCZQDY-UHFFFAOYSA-N 368.397 1.045 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 5190094 TYFWICQEGZXKQK-CQSZACIVSA-N 368.393 1.721 0 40 FDAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NC[C@@H]1CCCO1 11793760 KVBIJIPLBQKYNQ-ZDUSSCGKSA-N 364.471 1.993 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CC1(OC)CCC1)OC2 2055759247 CAYKHGJIZVOTHD-LBPRGKRZSA-N 364.446 1.066 0 40 FDAB CC(C)c1noc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)n1 2086889721 UHCQIKHGRRBCTC-UHFFFAOYSA-N 354.418 1.491 0 40 FDAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)CC1 206765391 DUVFJDWZPCXRGT-UHFFFAOYSA-N 372.874 1.034 0 40 FDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1cccc(NS(C)(=O)=O)c1 585149499 AZDICQOSIAGVFZ-QWHCGFSZSA-N 353.444 1.405 0 40 FDAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H](CNC(N)=O)C1 40151568 GOPHULANECPPMA-VIFPVBQESA-N 355.420 1.150 0 40 FDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(I)c1 40159406 VRDZUSHWZQKLCY-JTQLQIEISA-N 361.183 1.923 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F 20739879 OOKPXSNMWOBAPQ-INIZCTEOSA-N 362.361 1.388 0 40 FDAB CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccsc1 29665756 NWJNMDKJOJGHQZ-TUAOUCFPSA-N 363.405 1.924 0 40 FDAB CCCCNS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904832 HRAOHNDVEJLDMZ-LLVKDONJSA-N 360.457 1.078 0 40 FDAB biogenic C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(=O)[nH]c1 11919249 QBJMNZSIYPUEBS-LBPRGKRZSA-N 368.393 1.211 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)o1 2630119 LMHDYFFFDZCARC-SFHVURJKSA-N 356.334 1.796 0 40 FDAB CCc1nnc(NC(=O)CSc2nnc(C)n2C[C@@H]2CCCO2)s1 915449 JHIJFAWEWFLPNY-JTQLQIEISA-N 368.488 1.910 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 52638553 DFRDEQGFMMQQPS-ZDUSSCGKSA-N 370.409 1.670 0 40 FDAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCS(=O)(=O)C1 6158170 DYPOQGYVEKTLGC-GNFNDJEDSA-N 369.483 1.439 0 40 FDAB O=C(O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Br)cc1 6554025 WOZCYMYXVVDKSL-NSHDSACASA-N 374.216 1.146 0 40 FDAB CCc1ccc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 8728430 ALUHLLUZLVBHTJ-UHFFFAOYSA-N 359.451 1.898 0 40 FDAB CCOc1ccc(OCCNC(=O)Cn2cnc3ccccc3c2=O)cc1 8152533 WSFXQLHVZVHNCP-UHFFFAOYSA-N 367.405 1.990 0 40 FDAB Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3nccs3)C2=O)n(C)n1 174306020 IDVFHFNCMABHAJ-GFCCVEGCSA-N 362.459 1.522 0 40 FDAB CN1CCN(CCCN2C(=O)CS[C@@H]2c2ccc3c(c2)OCO3)CC1 22577005 TWMGUAFWPIWXTQ-GOSISDBHSA-N 363.483 1.627 0 40 FDAB O=C1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CCN1 23420665 XBCJVGVHSYNZEP-MRXNPFEDSA-N 365.433 1.650 0 40 FDAB COc1ccc(S[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1OC 22514798 PUJRZPBBFLTRIT-LLVKDONJSA-N 352.456 1.908 0 40 FDAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(C)on2)nc1N 12517213 LCQOHVYWSFMTIA-QMMMGPOBSA-N 351.388 1.651 0 40 FDAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(C)(=O)=O)CC1 25700487 LQTDXMHGWIQVCD-HNNXBMFYSA-N 356.488 1.127 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)N(CCO)CCOCC(F)(F)F 72281191 FTDXDXGZNPCHED-UHFFFAOYSA-N 364.320 1.863 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(-c3ccccc3)no2)C1 57376433 YNOPAOGXJHFKLP-AWEZNQCLSA-N 363.439 1.629 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 35485101 XYCMDFUIMUCXTH-ROUUACIJSA-N 353.422 1.601 0 40 FDAB biogenic COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C)c1=O 57485932 SPTQDSGKVGWCKD-UHFFFAOYSA-N 373.434 1.818 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)c1ccccc1 48286718 WAPWKDHVZPXLNW-LBPRGKRZSA-N 356.444 1.490 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccnc3ccnn23)CC1=O 108720741 KWWLIOAJKVPZJC-LBPRGKRZSA-N 351.366 1.730 0 40 FDAB O=C(CSc1cccc[n+]1[O-])NC(=O)Nc1ccc2c(c1)OCCO2 3358371 CAMMPUVSECSRPG-UHFFFAOYSA-N 361.379 1.532 0 40 FDAB COc1ccc(C(=O)C2CCN(C(=O)CN3CSCC3=O)CC2)cc1 12739829 UTUILWUNWGRJEW-UHFFFAOYSA-N 362.451 1.649 0 40 FDAB NC(=O)c1cnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 12758189 OVOXDDAZJAWNRF-UHFFFAOYSA-N 358.379 1.257 0 40 FDAB Cc1cc(C)n(Cc2cccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2)n1 58418617 DWUNRTRAGLDIQJ-INIZCTEOSA-N 361.467 1.713 0 40 FDAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(N)=O)c1 69193530 TWVSEHDPDJZMKL-CXAGYDPISA-N 353.422 1.918 0 40 FDAB CCCCN(C)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 13371248 INTRRKWJPWPGFI-RYUDHWBXSA-N 351.515 1.419 0 40 FDAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 408557749 HRESGVVESRPNAE-UHFFFAOYSA-N 355.416 1.141 0 40 FDAB CCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5252144 PNDPQJQLLBWDIR-UHFFFAOYSA-N 367.409 1.773 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1 65487928 CGEHJOVLBQHOHZ-CYBMUJFWSA-N 352.456 1.332 0 40 FDAB Cc1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 5356334 GEBWZLIINXRHKO-UHFFFAOYSA-N 368.436 1.808 0 40 FDAB CNC(=O)Cn1cc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)cn1 65951442 HNOYPGZDEFEYCV-SFHVURJKSA-N 367.453 1.720 0 40 FDAB CC(C)N(CC(N)=O)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 8532796 FVJLVHRFYMKJSZ-UHFFFAOYSA-N 360.458 1.493 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)NCCc2ccccc2C)nc1N 7095419 JVNWRRNIYDUTBW-UHFFFAOYSA-N 374.466 1.995 0 40 FDAB Cc1ccc(F)cc1-n1ccn(CC(=O)NC2CCCCC2)c(=O)c1=O 67320191 SGFWVCVHWHLGMJ-UHFFFAOYSA-N 359.401 1.896 0 40 FDAB O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8851679 CZQQIYCLWVAQCO-UHFFFAOYSA-N 356.419 1.085 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 8945138 DSHJKTKMWDHVKN-GFCCVEGCSA-N 361.261 1.690 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2C(=O)CNC2=O)cc1 9388743 NBDLVOMPNQDKEQ-UHFFFAOYSA-N 367.361 1.762 0 40 FDAB O=C(CSc1nc(O)cc(O)n1)Nc1nnc(C(F)(F)F)s1 9667801 XQOBDBNOBARDRY-UHFFFAOYSA-N 353.307 1.489 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)N(c1c(C)c(C)nc3ncnn13)CC2 95964186 ZCDWUWVAYPVJOD-UHFFFAOYSA-N 358.427 1.343 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 89635017 VKQSRXCLUBIDII-UKRRQHHQSA-N 363.483 1.827 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(S(=O)(=O)C1CC1)C2 306128334 GXOWLYLSCKJRMF-CYBMUJFWSA-N 369.462 1.488 0 40 FDAB O=C(O)CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CCOCC1 532601971 HSJYNLPSWSXOSI-KRWDZBQOSA-N 363.410 1.950 0 40 FDAB CCOc1cccc(C(=O)NC(=S)Nn2c(C)nnc2SC)c1 33714083 YJCJEYVERJUYPF-UHFFFAOYSA-N 351.457 1.966 0 40 FDAB CCc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72379193 FWZCNMMKETZQLE-AWEZNQCLSA-N 363.487 1.816 0 40 FDAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)CNC)C3)n2)s1 72383035 FMGQTEHNEQGNLI-NSHDSACASA-N 361.475 1.478 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C 32924407 VGZSPJHOASQZJV-NWDGAFQWSA-N 358.464 1.128 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(Cc2ccccc2)s1 48232271 JIXYNOPDWJTLRA-LBPRGKRZSA-N 366.468 1.491 0 40 FDAB Cc1nc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)cs1 72374007 IXSLQLWPDOBEQG-AWEZNQCLSA-N 360.487 1.785 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc(-c2cccnc2)on1 225797828 XRBWUZOYEIEWHF-UHFFFAOYSA-N 362.349 1.272 0 40 FDAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCc4ccc(C)o4)cn23)C1 96267702 LNSBJOBMDUBLKB-CQSZACIVSA-N 367.409 1.897 0 40 FDAB CN1CCO[C@H]2CCN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)C[C@H]21 578088255 CUZWRLGYUCOSBA-CVEARBPZSA-N 362.405 1.647 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)no1 96050285 IQKQENGSATVBEC-LJQANCHMSA-N 372.400 1.685 0 40 FDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C1 96182311 FKIVINKMKAPWQU-GASCZTMLSA-N 352.394 1.409 0 40 FDAB COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)cc(C)n1 583619649 UWYKEKYKJPNYCX-KGLIPLIRSA-N 357.414 1.996 0 40 FDAB O=C(Cc1cccc(F)c1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 247861530 MTZKIIJETZNZQH-INIZCTEOSA-N 357.385 1.997 0 40 FDAB CCc1nccn1CC(=O)N1CCO[C@@H](CCc2ccnc(NC)c2)C1 257310521 UFKLOPJFAHFPMS-INIZCTEOSA-N 357.458 1.742 0 40 FDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(Cc2cccnc2)C3)n1 253477286 DYPIPQXZLDWGHY-MRXNPFEDSA-N 374.466 1.248 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]2CN(C(=O)c3ccc(O)nc3)CC[C@H]21 257295946 RAODRWZQDALVOH-UONOGXRCSA-N 353.444 1.063 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257204812 AWJDALBTHDUKED-NSHDSACASA-N 362.411 1.061 0 40 FDAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@H](CC(N)=O)C1 585085584 NJVNWMPEBKLNMZ-SECBINFHSA-N 359.835 1.049 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)cn3)[C@H](O)[C@H]2O)c1 257256350 KLBPLADZYZBZCC-BDXSIMOUSA-N 358.394 1.070 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(N(C)CC(=O)O)CC3)CC2=O)cc1 373773632 ZORGDXRMEXQLBA-OAHLLOKOSA-N 373.453 1.355 0 40 FDAB CCn1c(CCNC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)nc2ccccc21 591937436 WIGRTPFMAKFMOW-UONOGXRCSA-N 374.441 1.164 0 40 FDAB CC(C)Oc1cccc(CNC(=O)NCc2nnc3n2CCOCC3)c1 1615589905 JDPKJDNJDJFKMY-UHFFFAOYSA-N 359.430 1.637 0 40 FDAB COc1ccc2c(c1)C[C@H](C(=O)N1CCN([C@@H](C)CC(=O)O)CC1)CO2 630220238 MTDPOGDNTIZBKO-ZFWWWQNUSA-N 362.426 1.254 0 40 FDAB CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1c1cnn(C)c1 630651061 RPHPMNAVXNDLMN-IRXDYDNUSA-N 356.426 1.891 0 40 FDAB Cc1nc([C@H]2CN(C)CC23CN(C(=O)c2nc[nH]c2C(C)(C)C)C3)n[nH]1 1775958282 OODQIHGZTXRCIJ-GFCCVEGCSA-N 357.462 1.305 0 40 FDAB CCOCCOc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 585269883 ORVUNMHRJSZTKJ-FQEVSTJZSA-N 364.486 1.371 0 40 FDAB Cc1cc(CN2CCC[C@@]3(C2)CN(Cc2c(C)noc2C)C3=O)n(C)n1 585099700 YMQCRIRXMRTSIA-LJQANCHMSA-N 357.458 1.958 0 40 FDAB NCCOCCOCCOCCOCCC(=O)OCc1ccccc1 146112567 MNJPPZOECOMFQW-UHFFFAOYSA-N 355.431 1.145 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2ccc(Br)cc2)C1 63580198 XTFUIEHSUJGEJW-GXFFZTMASA-N 370.247 1.667 0 40 FDAB Cc1cc(F)cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)c1 547554648 VUZHXXISFBBFNM-GFCCVEGCSA-N 352.387 1.751 0 40 FDAB Cc1cccnc1CN1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 1615190562 HSOWIMLHQUZPBO-RTBURBONSA-N 350.422 1.861 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 14674105 GZRDFELFOFPDIR-JTQLQIEISA-N 374.370 1.782 0 40 FDAB COCCn1nnnc1[C@H](C(C)C)N1CCN(C(=O)c2ccco2)CC1 19446009 CUZIOINEBGDHKZ-HNNXBMFYSA-N 362.434 1.068 0 40 FDAB CCOC(=O)N1CCN(Cn2nc(-c3ccco3)n(C)c2=S)CC1 19596670 PZCQLRRLHIMBCU-UHFFFAOYSA-N 351.432 1.943 0 40 FDAB CC(C)[C@H](NC(=O)c1cccc(C(=O)N[C@H](C(=O)O)C(C)C)c1)C(=O)O 5633370 YYGUVTUKLKBQCN-KBPBESRZSA-N 364.398 1.365 0 40 FDAB O=C1SCC[C@@H]1NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 227610157 JQCIPIRGELUMHC-OLZOCXBDSA-N 372.454 1.027 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc2c(Cl)cccc2[nH]1 643586267 RKSUBYYXFIAGRL-GTTSAUCSSA-N 352.818 1.652 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)N1CCOCC2(CCC2)C1 571023532 MSNVTKGVMPOGLY-CQSZACIVSA-N 364.467 1.770 0 40 FDAB Cc1cc(O[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nc(C)n1 585147313 AGEKTQOLEMHKLV-NSHDSACASA-N 353.366 1.829 0 40 FDAB CC(=O)OC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390832187 XWTWCMAMVDHZAZ-HNNXBMFYSA-N 353.440 1.717 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(OC)c(OC)c2)CC1 4888715 LPCCCFOTGAJRBV-UHFFFAOYSA-N 370.471 1.177 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ncccc5F)C[C@H]4C3)nn12 1888881981 GMXBNYFHJFLORZ-CHWSQXEVSA-N 367.388 1.175 0 40 FDAB CSc1ncc(C)c(N2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 1888890312 WPDRYOYWHXLTMI-UHFFFAOYSA-N 370.486 1.819 0 40 FDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 32598989 APPVCMUOFLWEGR-UHFFFAOYSA-N 367.333 1.822 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1 4192829 FJLGRNJXHGDVEP-COPLHBTASA-N 360.288 1.283 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(OC)cc2)CC1 2055708131 NDLJSDVKZBSGLD-UHFFFAOYSA-N 372.469 1.646 0 40 FDAB CC(=O)c1cc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)n[nH]1 2055718403 UOFOENKHUMWSMR-ZWKOTPCHSA-N 371.441 1.598 0 40 FDAB CN(C(=O)c1cn(C)nn1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973761 SQKJDHXYKJGQFE-UHFFFAOYSA-N 367.388 1.372 0 40 FDAB COCCn1/c(=N\C(=O)c2ccnn2C)sc2cc(NC(C)=O)ccc21 101335299 HJIBSUJSRVRORA-LVZFUZTISA-N 373.438 1.782 0 40 FDAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 44227321 YKQVYFWJPALIHG-UHFFFAOYSA-N 359.451 1.727 0 40 FDAB COc1ccccc1C1(CNC(=O)C(=O)NCc2ccco2)CCOCC1 49520791 KYBGUQJZQAKQKT-UHFFFAOYSA-N 372.421 1.769 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc21 101669322 KBQKDQUGLPSVMV-AVGNSLFASA-N 355.394 1.309 0 40 FDAB Cc1nsc(N2CCCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1 75967076 ZYILWQYJXSRKMO-LLVKDONJSA-N 350.448 1.682 0 40 FDAB COc1cccc(CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 8331592 RBJMRGSGYHOVPC-UHFFFAOYSA-N 359.407 1.050 0 40 FDAB CCOc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 894610 OQLGXQHUIFOTLM-UHFFFAOYSA-N 355.398 1.754 0 40 FDAB CN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc2ccccc2c1 814535 YNXSCAQLTSRWLL-MRXNPFEDSA-N 362.451 1.756 0 40 FDAB OCCN1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 22944938 LUQHEKVNXCTJQX-UHFFFAOYSA-N 367.247 1.609 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCN(C(=O)N(CC)CC)C1 42464538 SRGDDSLXJWAQCG-OAHLLOKOSA-N 354.495 1.533 0 40 FDAB Cc1csc(=O)n1CCN1CCN(Cc2ccc3c(c2)OCO3)CC1 23249051 SWUXIDAXXYQWBX-UHFFFAOYSA-N 361.467 1.765 0 40 FDAB CCCCOCCNC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 54915998 SOJDXIMZLYYJDO-MRXNPFEDSA-N 353.444 1.448 0 40 FDAB COC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12513898 AYZGADXQOLMOJZ-UHFFFAOYSA-N 366.395 1.498 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1cccc2cccnc12 24864133 OUOSPEUDDDEVCZ-UHFFFAOYSA-N 352.394 1.211 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 3297368 CYJZCMFJJTYPNJ-ZDUSSCGKSA-N 354.362 1.982 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCOCC1 113943244 WDPRZENJDUJPQY-UHFFFAOYSA-N 366.483 1.888 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1 3287385 RMVZQSIOALKALR-CQSZACIVSA-N 365.455 1.027 0 40 FDAB C[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@@H](C)O1 25412196 HGCXGWLGVMLOHC-IYBDPMFKSA-N 359.470 1.648 0 40 FDAB CC(C)(CNC(=O)CNC(=O)c1ccc(Cl)cc1)N1CCOCC1 25572304 CLBNAYYXZUMQCG-UHFFFAOYSA-N 353.850 1.297 0 40 FDAB O=C(CNS(=O)(=O)c1ccc2c(c1)CCO2)N1CCCc2ccccc21 57101382 SPYYOFXAFXCXIQ-UHFFFAOYSA-N 372.446 1.879 0 40 FDAB CSc1ncc(Cl)c(C(=O)NCCNC(=O)c2ccc(O)cc2)n1 48277560 YVSVPGCYDAWZTO-UHFFFAOYSA-N 366.830 1.717 0 40 FDAB Cc1ccccc1CN1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 22774836 JVFUWEOQCXWKLY-HXUWFJFHSA-N 356.470 1.791 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2nccnc2N)CC1 36056061 OXCBEPYPDCFOBL-UHFFFAOYSA-N 368.441 1.072 0 40 FDAB COc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(-n2cccn2)nc1 45389175 LFNZQBMUMJOZPY-UHFFFAOYSA-N 366.381 1.697 0 40 FDAB CN(C)C(=O)[C@@H](OC(=O)c1sccc1S(N)(=O)=O)c1ccccc1 10937206 PRQRLFHFXADVRS-LBPRGKRZSA-N 368.436 1.382 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 45867447 SRKWUQFUWNHQTJ-PWSUYJOCSA-N 350.385 1.356 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2c(C)noc2C)c1C 5198146 HSBHIWGRSDJSRT-UHFFFAOYSA-N 359.382 1.820 0 40 FDAB CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843740 XRSFDRMZKXUBTI-KRWDZBQOSA-N 360.439 1.907 0 40 FDAB CC(C)c1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 4495921 LVXAMVDHFXRXMA-CYBMUJFWSA-N 353.378 1.565 0 40 FDAB O=C(CNC(=O)c1cccs1)Nc1ccc(CN2CCOCC2)cc1 14112861 KQHMCAISLPRTPS-UHFFFAOYSA-N 359.451 1.949 0 40 FDAB COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1 96220989 WWJLGJPKRVBDBT-KRWDZBQOSA-N 367.405 1.822 0 40 FDAB biogenic Cc1c(C)n(CCN2CCOCC2)c2ncn(Cc3ccccn3)c(=N)c12 9421851 HRPBNLDIBVFMJL-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB CCN(C(=O)[C@H](C)Oc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 9114747 ZBFBMMKXLKLYJP-KBPBESRZSA-N 355.456 1.807 0 40 FDAB O=C(C1=NN[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12)c1ccc(F)cc1 16034590 SERFCXSORSKGPN-HIFRSBDPSA-N 355.300 1.665 0 40 FDAB COc1cc(C[C@@]2(c3ccc(C)cc3)NC(N)=NC2=O)cc(OC)c1OC 71975263 VWRZETWQASXKDM-FQEVSTJZSA-N 369.421 1.903 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)Cn1nnc2ccccc2c1=O 8366774 FGRRSOLYEJXWHH-UHFFFAOYSA-N 365.393 1.109 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC[C@H]1CCC[C@H](O)C1 72295723 HIXUYSQGSXIZQZ-JSGCOSHPSA-N 358.435 1.161 0 40 FDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2nn(-c3ccccc3)c3c2CCC3)N1 84572753 DZGVHIFMGOSIIR-CQSZACIVSA-N 368.393 1.392 0 40 FDAB Cc1cnc2c(c1)NC(=O)CN2C(=O)CNC(=O)c1ccc(F)c(F)c1 95989189 QJKAFZHTAXMZGM-UHFFFAOYSA-N 360.320 1.383 0 40 FDAB CCCC(=O)N[C@H]1CCCN(C(=O)CCOc2ccccc2C(N)=O)C1 75105100 JDRBCMJQLYMBGQ-AWEZNQCLSA-N 361.442 1.462 0 40 FDAB O=C1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CCN1CCO 89787957 FTUAYBYYHBMIKC-UHFFFAOYSA-N 363.414 1.150 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 28207196 NVYRFJDWOMYIOA-UHFFFAOYSA-N 362.451 1.675 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccccc1F 24660111 QRAKLIXAZPDTLB-ZDUSSCGKSA-N 358.369 1.854 0 40 FDAB COc1ccc2cnn(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)c(=O)c2c1OC 61721247 UQAGHUKJCHLUCS-IPYPFGDCSA-N 369.421 1.742 0 40 FDAB CCOc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 35334270 IFTQVEZRZLFYHZ-GOSISDBHSA-N 353.422 1.936 0 40 FDAB COCC(=O)N1CC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 72382717 OYCVEIWJXBTVSK-AWEZNQCLSA-N 356.430 1.898 0 40 FDAB CCOc1ncccc1CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 31324714 BNYUDTHOSFSUPM-UHFFFAOYSA-N 374.441 1.741 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)[C@H](C)NC(=O)c3ccccc32)cc1 72326231 GJENWYAJWXIELE-ZDUSSCGKSA-N 367.405 1.477 0 40 FDAB biogenic COc1cc(OC)cc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1 564715841 MESQIYZENAKZFV-HZPDHXFCSA-N 353.440 1.893 0 40 FDAB CCc1nc2nc3ccn(-c4ncn[nH]4)c(=O)c3c(-c3ccccc3)n2n1 40372833 WXIRDVQYKNYHMI-UHFFFAOYSA-N 358.365 1.776 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 41779131 COBFBORDFWJGIB-MRXNPFEDSA-N 373.478 1.702 0 40 FDAB CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](CC(=O)O)C1)c1ccccc1 569908744 CGNDEQRSORMQRL-DZGCQCFKSA-N 368.455 1.669 0 40 FDAB Cn1ccnc1C(NC(=O)Nc1ccc(C2CC2)nn1)c1nccn1C 529024642 RTCFYROGLAFZNG-UHFFFAOYSA-N 352.402 1.732 0 40 FDAB COCCNC(=S)Nc1ncc(Br)nc1Br 223885505 BFUFHUKJANZRCJ-UHFFFAOYSA-N 370.070 1.934 0 40 FDAB Cc1ccccc1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 96238055 NXHIAOZYJQYDJQ-NRFANRHFSA-N 364.449 1.953 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)c(C)o1 96199807 LOQBLUXATKDZCF-INIZCTEOSA-N 356.426 1.908 0 40 FDAB COc1cc(N2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)ncn1 96199850 HEORZODVOBTNJU-CQSZACIVSA-N 356.430 1.204 0 40 FDAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223265 OIFHABODHYNMKE-CRAIPNDOSA-N 357.389 1.887 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2COCc3c(C)nnn3C2)cc1F 96199369 CZWWHJTZEYABDJ-GFCCVEGCSA-N 354.407 1.159 0 40 FDAB CS(=O)(=O)NCc1ncn2c1CN(C(=O)CC1CCCC1)CCC2 96259439 IXBXIVJIQHSLAX-UHFFFAOYSA-N 354.476 1.245 0 40 FDAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1C 96207571 MWFZXQNQTYJSFC-HNNXBMFYSA-N 356.463 1.947 0 40 FDAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3ccn(C)n3)CC2)n1C 257276165 NSPHZYVVAQBVEY-UHFFFAOYSA-N 365.441 1.939 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(CC2CCCC2)C3)n1 253478855 NKRJXDDETCTFLQ-INIZCTEOSA-N 365.499 1.843 0 40 FDAB CS(=O)(=O)Nc1cccc(CN[C@@H]2CCCN(c3ncccn3)C2)c1 589641040 GRVJQKPPIWQLLD-MRXNPFEDSA-N 361.471 1.607 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)n[nH]2)c1=O 90590807 UKGRKAYAEJVANG-UHFFFAOYSA-N 370.291 1.014 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 644035027 FEJBUWXSBLUFLR-LJQANCHMSA-N 356.426 1.035 0 40 FDAB COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1 644473142 IBZLCFPNFLCIPA-SCLBCKFNSA-N 364.446 1.166 0 40 FDAB CN(CCN1CCCS1(=O)=O)Cc1c(C(=O)O)oc2ccccc12 652434197 VSYPFBKKERUZBT-UHFFFAOYSA-N 352.412 1.598 0 40 FDAB CN(C)c1ccncc1C(=O)NC[C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)O1 1775958006 XHOPCLZWTWBNBR-DOMZBBRYSA-N 356.430 1.793 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cnc3ncccn23)C1 1775959135 JEOJXHCNABMJBZ-QGZVFWFLSA-N 356.455 1.732 0 40 FDAB Cc1cc(=O)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cn1C1CC1 685941454 ZXAODSBMPIKSJD-LESCRADOSA-N 359.426 1.048 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc12 58157431 IHCINYZQHHGGNS-UHFFFAOYSA-N 360.395 1.849 0 40 FDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccco1 71796025 ADGFDECMKLUXCA-ZDUSSCGKSA-N 353.419 1.675 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F 11691776 RMBQHRPHRFGDRH-FYBVGQRMSA-N 354.375 1.697 0 40 FDAB Cc1nn(CC(=O)NCc2ccncc2)c(=O)c2cc3sccc3n12 12088745 BBOQVPZUFCIQCM-UHFFFAOYSA-N 353.407 1.731 0 40 FDAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 13547906 JXCOSKURGJMQSG-LDMAKVTHSA-N 366.498 1.653 0 40 FDAB CC[C@H](C(=O)N1CCN(CC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713667 VCHDCPJRINVWEK-QGZVFWFLSA-N 367.515 1.704 0 40 FDAB Nc1nccnc1C(=O)OCc1cc2c(cc1Br)OCCO2 14060053 AYWYQEODFVCSSE-UHFFFAOYSA-N 366.171 1.950 0 40 FDAB NS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740504 QRCGNXCRVRLQSB-UHFFFAOYSA-N 368.484 1.758 0 40 FDAB Cc1nc(C)n(CC(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)n1 19285728 KHRNZNGZXUQHND-LJQANCHMSA-N 369.425 1.079 0 40 FDAB O=C(N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1)c1cc(C2CC2)on1 19292210 XDPZFKGLOKLCCX-CQSZACIVSA-N 369.425 1.814 0 40 FDAB CNc1nc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)nc2c1CNCC2 19711504 LJUKOVOLEKDLDG-CQSZACIVSA-N 366.469 1.508 0 40 FDAB CC(=O)N[C@@]12CN(Cc3nc4ccccc4n3C)CC[C@@H]1CN(C(C)=O)C2 19713669 FUUIZWYIRAAPRL-OXQOHEQNSA-N 369.469 1.132 0 40 FDAB C[C@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)C1CC1 19751109 DIJTUSCIBFTKNK-AWEZNQCLSA-N 353.422 1.693 0 40 FDAB COc1ncc(Br)cc1CNC(=O)NCc1noc(C)n1 623663568 QLJGTRRRTGHQRQ-UHFFFAOYSA-N 356.180 1.544 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)nc2n1 5021322 VXVMCXHVFBSVLT-UHFFFAOYSA-N 368.349 1.552 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CCCC5)C[C@H]4C3)ncnc21 1888867088 NCSQOEGWZNNRAC-GASCZTMLSA-N 354.458 1.931 0 40 FDAB Cc1cc(C)c(S(=O)(=O)NC2CN(c3nnc(C)s3)C2)c(C)c1 1888873127 VUKSAKIPZRBKGZ-UHFFFAOYSA-N 352.485 1.939 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)nc2ccccc21 1888909677 DBQMHQPVQIVVNV-HUUCEWRRSA-N 364.453 1.998 0 40 FDAB CCOc1ccccc1N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 34892151 JWNNDFNZSVHYMW-UHFFFAOYSA-N 374.485 1.976 0 40 FDAB CCOc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 2037971214 SFNMPEALUOYWLW-JSXRDJHFSA-N 357.450 1.595 0 40 FDAB Cc1cccc(CN2CCC[C@@]3(CCCN(C(=O)Cn4cnnn4)C3)C2)n1 2056223956 JACJJYLHSDFXTP-LJQANCHMSA-N 369.473 1.281 0 40 FDAB COCCN1CC[C@]2(CCCN(C(=O)c3cnn4ccccc34)CC2)C1=O 1614935261 YHAJWXMVWLSPKF-HXUWFJFHSA-N 370.453 1.826 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565553743 DHZFVHSGZKPMAI-CEXWTWQISA-N 361.486 1.944 0 40 FDAB COc1ccc(N2C[C@@H](NS(=O)(=O)c3cccs3)CC2=O)cc1 4497746 GRPCADXLCRBHCF-NSHDSACASA-N 352.437 1.841 0 40 FDAB CCCC(=O)NCCn1ncc2c(N3CCOCC3)nc(SC)nc21 8947005 XCPPCPZLIOPWOL-UHFFFAOYSA-N 364.475 1.301 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccn(C)n2)C1 2055751037 AQCMTAHFOXSOJQ-IBGZPJMESA-N 355.442 1.595 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccncc2)CC1 2055750693 QOLSWHIISMBURU-UHFFFAOYSA-N 368.437 1.923 0 40 FDAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1cccc2nsnc12 575617660 YYYCUXFQWIIVAV-NSHDSACASA-N 352.445 1.286 0 40 FDAB O=C(c1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1 575615194 CMIUCGKWNMKHBS-UHFFFAOYSA-N 353.172 1.500 0 40 FDAB CSc1ccc([C@H](O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1 96103231 KRRRIWOZBKQEGH-CQSZACIVSA-N 355.485 1.771 0 40 FDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c4ccco4)N2C(=O)[C@H]13 247858187 VEGDJTLZYKPHPF-CUUSFVRESA-N 371.389 1.499 0 40 FDAB CCOCc1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1OC 40024464 WYSLHJICYYENDR-UHFFFAOYSA-N 370.471 1.386 0 40 FDAB NNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20814377 UPRRZCAFDUNOHK-UHFFFAOYSA-N 357.443 1.636 0 40 FDAB Cn1cc(I)c(C(=O)n2nnc3ccccc32)n1 994639 JVUWJUHDDGQHME-UHFFFAOYSA-N 353.123 1.458 0 40 FDAB O=S(=O)(NC[C@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2 52537032 WDKWFLYZZOMLBA-ZDUSSCGKSA-N 361.419 1.987 0 40 FDAB CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2C[C@H]1C 32917497 DFHXGQSEULUZCM-BZNIZROVSA-N 368.455 1.762 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2coc3ccccc3c2=O)cc1 8342896 FMZOFCQVXMCFAK-UHFFFAOYSA-N 372.402 1.413 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)cc1 8559467 MGDOWMYFYRADJK-NVXWUHKLSA-N 374.437 1.732 0 40 FDAB COCCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1=O 47196385 PBPSHZVJXKGHLM-UHFFFAOYSA-N 360.410 1.484 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCOc1ccc(Cl)cc1 103619243 VXATZJXOVGJUOT-MWDDYTRKSA-N 374.824 1.642 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2c1=O 47207490 XVVADUOTGMUZLD-OAHLLOKOSA-N 365.389 1.963 0 40 FDAB CC(C)CNC(=O)CN1CCN(Cn2ncn(C(C)C)c2=S)CC1 23249118 ITJBJGKIOUZBME-UHFFFAOYSA-N 354.524 1.342 0 40 FDAB Cc1cc(C(=O)CCC(=O)OCc2nc(N)nc(N(C)C)n2)c(C)s1 12468191 PPSQEIPGBSJVKH-UHFFFAOYSA-N 363.443 1.904 0 40 FDAB COc1ccccc1N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 23625085 VNHRBHZXUBMCAC-SJORKVTESA-N 350.459 1.374 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24779073 GOOYKDDPRBJSRO-UHFFFAOYSA-N 362.455 1.288 0 40 FDAB O=C(CN1CSCC1=O)NCC(=O)Nc1ccc(Br)cc1 55548534 LEZBPIWHTXPWMX-UHFFFAOYSA-N 372.244 1.037 0 40 FDAB CC(=O)Nc1nc(C(=O)NCc2ccccc2Cn2cncn2)cs1 25151721 KBNLSYHDCFFWDW-UHFFFAOYSA-N 356.411 1.671 0 40 FDAB CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)CC(=O)N(C)C 58191405 KTYACHIHEDBQLJ-UHFFFAOYSA-N 374.466 1.959 0 40 FDAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cnc21 25577446 RSIIVCGGWRSDND-CQSZACIVSA-N 365.459 1.765 0 40 FDAB C[C@@H]1NC(C(=O)Nc2nc3c(s2)CCC3)=NN(c2ccccc2)C1=O 56218515 FCJNUABFKZWKMB-JTQLQIEISA-N 355.423 1.909 0 40 FDAB CN(C)C(=O)Cc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 47926582 YTTXLILYVPDPCO-UHFFFAOYSA-N 365.480 1.763 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCCN1 44492917 QTMFCUYLLDNEKI-NSHDSACASA-N 363.277 1.878 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 62001865 YSUUAOXSJOYRRK-QWHCGFSZSA-N 351.355 1.786 0 40 FDAB biogenic CC[C@](C)(NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)C(=O)OC 58268439 GUUCZZRERBIEMO-IBGZPJMESA-N 373.457 1.896 0 40 FDAB Cn1c(N)c(C(=O)COc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 3362368 FXRXVYFGNAXCPP-UHFFFAOYSA-N 358.181 1.235 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)cc1 36674525 GQECZASJHCYICF-ZBFHGGJFSA-N 352.456 1.443 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)N3CC(=O)Nc4ccccc43)nc2n1 3466921 ZIZDQPMURQCAJY-UHFFFAOYSA-N 368.422 1.819 0 40 FDAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 12943135 QDTHLSAYOGMJPL-UHFFFAOYSA-N 352.865 1.042 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C 49544791 YTPVTCWVINFBNF-VXGBXAGGSA-N 363.443 1.717 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@H](C)C(C)C)cc1 4285326 GQFBSHQUNWGFMW-CQSZACIVSA-N 355.456 1.863 0 40 FDAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 18906504 WWBUTFIFBQFCHI-LBPRGKRZSA-N 366.421 1.664 0 40 FDAB COc1ccc(-c2nc(CC(=O)NN3CCOCC3)cs2)cc1OC 8882052 WQYSTDCSGVAXTA-UHFFFAOYSA-N 363.439 1.733 0 40 FDAB COc1ccc(S(=O)(=O)NC(=O)c2sc(C)nc2C)cc1OC 42295823 ZSKPVHRKLPBPFI-UHFFFAOYSA-N 356.425 1.896 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 6409465 ITWFGSHIRAUXNT-IOASZLSFSA-N 372.421 1.909 0 40 FDAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1OC 5417887 URGGFSSMYLUBLW-MRXNPFEDSA-N 364.398 1.911 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(CC)cc2)c(=O)[nH]c1=O 6787182 UHCCKXUBCDFIFE-UHFFFAOYSA-N 358.442 1.406 0 40 FDAB CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)ncn1 306133196 METLCCQLRDTBKT-RRFJBIMHSA-N 373.482 1.485 0 40 FDAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3nonc3N)nc21 9264045 OFXQHXUABZOMND-UHFFFAOYSA-N 356.371 1.213 0 40 FDAB C[C@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C(=O)N1CCOCC1 68792163 NIDJYELKADMKEF-VUDBWIFFSA-N 366.801 1.445 0 40 FDAB Cc1noc(C)c1CN(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005175 BMTJKBPWVNLNCY-UHFFFAOYSA-N 355.460 1.454 0 40 FDAB COC(=O)C1=NOC2(CCN(C(=O)c3occc3Br)CC2)C1 96011939 PVHQTTOKTMZNPC-UHFFFAOYSA-N 371.187 1.966 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 16802892 KRJOIPCMDBUXDS-JSGCOSHPSA-N 362.455 1.396 0 40 FDAB NC(=O)c1csc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 72288279 HYQUJXVHMHPNFL-UHFFFAOYSA-N 357.395 1.359 0 40 FDAB O=C(NCC1CCC2(CC1)OCCO2)[C@H]1CCCN(C(=O)C2CC2)C1 72306538 WIOQJLRPZDKRGL-INIZCTEOSA-N 350.459 1.685 0 40 FDAB COC(=O)CCN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C 95983930 ANVXQCBZJOJNSJ-CYBMUJFWSA-N 362.405 1.945 0 40 FDAB C[C@@H](C(=O)NCc1ccc(CN(C)C)cc1)S(=O)(=O)C1CCOCC1 89478763 PGWAROSCLKMRML-AWEZNQCLSA-N 368.499 1.347 0 40 FDAB CCn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2nccn2C)cn1 306137446 QWJPQARXCGSOPF-INIZCTEOSA-N 372.473 1.048 0 40 FDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1nccs1 409224514 KQXNOXAQDHXKGZ-UHFFFAOYSA-N 357.347 1.368 0 40 FDAB COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408591257 JGWFFJSBYLELKB-WEVVVXLNSA-N 355.144 1.435 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 554156445 ZJMIFGDMLHKJGI-GFCCVEGCSA-N 351.428 1.433 0 40 FDAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218160225 TWTUOGGRWFLNNV-YQQAZPJKSA-N 361.375 1.137 0 40 FDAB CCOCCCNC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 224414916 VNHMBHMMKSMMMU-INIZCTEOSA-N 372.487 1.783 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C[C@@H](C)O1 40039857 LOKYPKOGDUUIIX-OKILXGFUSA-N 373.906 1.816 0 40 FDAB CCc1cc(=O)n(CCNC(=O)NCc2ccc(OC)c(OC)c2)cn1 75166378 WEMIDTPVIXDUNR-UHFFFAOYSA-N 360.414 1.322 0 40 FDAB COc1cc(C)n(CCNC(=O)Cc2ccc(NC(C)=O)cc2)c(=O)c1 225615450 HSIZRDUNGIJIKY-UHFFFAOYSA-N 357.410 1.483 0 40 FDAB Cc1cc(C)cc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c1 222661431 KRCNCESDALIFPF-UHFFFAOYSA-N 357.410 1.827 0 40 FDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1 225432097 DTIMKKGWOHGCGP-CQSZACIVSA-N 361.423 1.562 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 96074573 XJJXJVYIIBTRRS-SFHVURJKSA-N 353.382 1.718 0 40 FDAB Cn1cc(CN2CCc3ncn(C)c3[C@H]2COCc2cccnc2)cn1 96187721 ZJLZZDPJJHZWIK-GOSISDBHSA-N 352.442 1.865 0 40 FDAB O=C(c1ccncc1)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 247875402 SXWYCSYHUXTJPK-HNNXBMFYSA-N 350.440 1.138 0 40 FDAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257254910 KFFJUHOZQAELNT-HNNXBMFYSA-N 364.475 1.519 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3cccnc3)C2)ncn1 257280756 OMFVRMLQSUARQU-LJQANCHMSA-N 355.442 1.212 0 40 FDAB C[C@H]1CCCCN1CC(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 257311411 UJHWMOPKEZRGQK-HOTGVXAUSA-N 370.501 1.499 0 40 FDAB COc1ccc(C2(O)CCN(CCn3cc(C(=O)O)ccc3=O)CC2)cc1 257304674 SMRFODUQSBIJFK-UHFFFAOYSA-N 372.421 1.539 0 40 FDAB Cc1cncc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)c1 253602672 QJTOQJZJPYQTDX-MRXNPFEDSA-N 364.467 1.446 0 40 FDAB C[C@]12CCN(C(=O)c3nonc3N)[C@H]1CCC(=O)N2Cc1ccccc1 257313183 URHZICIDKIHDAO-UGSOOPFHSA-N 355.398 1.448 0 40 FDAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)c1 257238274 HKGNAUQCVBNPGW-IAGOWNOFSA-N 359.353 1.717 0 40 FDAB CCCn1ccc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)n1 257247866 JAXHKMPFIBTUDG-UHFFFAOYSA-N 356.474 1.897 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CCN1Cc1ccccc1 257299894 RSCHFLKSFIMSSL-GOSISDBHSA-N 352.438 1.463 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCn2ccccc2=O)C1 257329223 XIZJFVMZCAAMAR-OAHLLOKOSA-N 355.442 1.551 0 40 FDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1ccccc1F 257249888 JKDOPCUGXUVPGU-IBGZPJMESA-N 358.417 1.648 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)c(F)c1 646045733 HWTLMAWYWMZLAJ-AWEZNQCLSA-N 359.419 1.681 0 40 FDAB O=C(O)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc2ccccc2c1 652070235 NSVIYLYQUCIZJM-GJZGRUSLSA-N 362.407 1.164 0 40 FDAB COC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(OC)c1 657108813 MQVXTMHVOYXGBI-CYBMUJFWSA-N 371.846 1.992 0 40 FDAB COCc1nccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 667968208 JIFADNLNHWPRKI-UHFFFAOYSA-N 357.418 1.578 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2cnccn2)N1Cc1ccccc1 688898187 DVPOJJDMHHQMTA-SJORKVTESA-N 354.410 1.253 0 40 FDAB O=c1[nH]c2cc(S(=O)(=O)Nc3cnn([C@H]4CCOC4)c3)ccc2o1 96123301 KZFOAQOWOUNIQY-JTQLQIEISA-N 350.356 1.080 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cnc2ccsc2c1 647927245 GGJMAOZVDMMFCO-AWEZNQCLSA-N 356.425 1.551 0 40 FDAB CO[C@@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1Cc1cccc(F)c1 585276095 JRYOCVIGFOLMET-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB COC(=O)c1ccc(CNCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 57376076 BENITXQPJQHZCF-UHFFFAOYSA-N 356.378 1.988 0 40 FDAB O=C1CCSC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)N1 75171350 LUADJRHYDHILBD-CQSZACIVSA-N 353.875 1.610 0 40 FDAB CCn1c(C2CCN(C(=O)c3ccsc3)CC2)nn(CCOC)c1=O 77147490 DQVXKAPTJPIXAR-UHFFFAOYSA-N 364.471 1.792 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760503 WXRKMRBMBZECOR-CQSZACIVSA-N 369.491 1.008 0 40 FDAB COCCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCOCC2)cc1 8106005 LSYDTLQVNSMJFP-FOWTUZBSSA-N 374.393 1.021 0 40 FDAB CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594917 GRTPIJQJIDPNDC-ATZDWAIDSA-N 362.470 1.487 0 40 FDAB OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 5459348 FMZUHGYZWYNSOA-BOQPXBONSA-N 358.390 1.937 0 40 FDAB O=C(c1cccnc1)N1C[C@H]2CCc3c(nc(N4CCCC4)[nH]c3=O)[C@H]2C1 12120015 ONIXKJSAQLZQOQ-ZBFHGGJFSA-N 365.437 1.567 0 40 FDAB CCOCc1nnc(NC(=O)[C@@]2(C)CC(=O)N=C3C=C(C)C=CN32)s1 12202226 UHTNKESJWZIPHY-MRXNPFEDSA-N 361.427 1.876 0 40 FDAB COc1cc2nc(CSCC(=O)N3CCCC3)[nH]c(=O)c2cc1OC 12409121 XTGSKGORDNKNQZ-UHFFFAOYSA-N 363.439 1.796 0 40 FDAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc2C1 14914244 VNDSUTMVEAVCLT-ZDUSSCGKSA-N 359.451 1.719 0 40 FDAB CCn1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)n1 19578007 MEPBQOJRSRHJRB-AWEZNQCLSA-N 356.430 1.165 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1 19709060 UHKFNVIMALTUKH-OAHLLOKOSA-N 367.475 1.612 0 40 FDAB Cc1cccn2cc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)nc12 19719212 PULSLEXGFRMSOA-UHFFFAOYSA-N 372.450 1.823 0 40 FDAB CCn1c(O)nnc1C1CCN(C(=O)c2ccc3c(c2)nc(O)n3C)CC1 677843716 CPYDRFAIADYPAU-UHFFFAOYSA-N 370.413 1.616 0 40 FDAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(N)=O 9336784 WOOHZOAIXGIQDI-UHFFFAOYSA-N 368.503 1.605 0 40 FDAB COc1ccccc1CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 6548401 VXBWEBDKHKZRDH-UHFFFAOYSA-N 373.434 1.392 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4nc(COC)ns4)C[C@H]3C2)c1F 1888863505 HKQRAVARWDWDPE-GHMZBOCLSA-N 364.450 1.749 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)nc(O)c1F 1888864381 ZQSVPIYUIRANLH-TXEJJXNPSA-N 357.389 1.487 0 40 FDAB C[C@@H](N)C(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@H](O)C(C)(C)O1)C2 1848354662 VQJAQVHTJSQJRY-BASYENTBSA-N 354.491 1.440 0 40 FDAB CCCC(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)[C@@H](OC)C1 2037971320 JJYQOUCSWIOBOK-IMFGXOCKSA-N 365.470 1.767 0 40 FDAB COCCO[C@@H]1CCN(C(=O)c2cccc(=O)n2C)[C@H]1Cc1ccccc1 1565556210 PTKPSSHAXXOCHN-RBUKOAKNSA-N 370.449 1.874 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2O1 1565544874 UHTKLLONIJGUSS-CWRNSKLLSA-N 362.426 1.207 0 40 FDAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCCN([C@H]2CCOC2)CC1 1565522951 WBDITLFVMQWGLP-INIZCTEOSA-N 368.499 1.797 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554275 MRBWTSBSDCGENC-UHFFFAOYSA-N 370.457 1.742 0 40 FDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2ccc3c(c2)OCO3)N1 12347265 NFSXUGGADPHMTQ-INIZCTEOSA-N 353.334 1.659 0 40 FDAB Cc1cccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)n1 2055729758 HNMLOCLNRUASCL-GFCCVEGCSA-N 350.444 1.074 0 40 FDAB Cc1csc(C(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)c1 2055814230 UGQSPRHYLVAKSF-SFHVURJKSA-N 373.482 1.353 0 40 FDAB Cc1ccccc1NCCn1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 10049299 QEVXBUHHMQOWAY-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB Cc1csc(=O)n1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 29249623 CWSLQELXQFDTGT-ZDUSSCGKSA-N 361.471 1.900 0 40 FDAB COc1ccc(Nc2ccccc2C(=O)N2CCO[C@H](C(N)=O)C2)cc1 50846846 QREUDKYAAMPWFF-KRWDZBQOSA-N 355.394 1.765 0 40 FDAB CN(C)c1ccc(-c2noc(C(=O)NCCCN3CCCC3=O)n2)cc1 20716974 LVMMUHKOHZECFJ-UHFFFAOYSA-N 357.414 1.545 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 32778089 NTMHBZUBPNGPBK-UHFFFAOYSA-N 356.407 1.601 0 40 FDAB COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc(OC)c1 2627702 OALFKBAZTOPYOH-UHFFFAOYSA-N 355.354 1.697 0 40 FDAB CCn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O 887159 IJICMWKRKVQWKD-UHFFFAOYSA-N 373.438 1.184 0 40 FDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C 76094126 QSVXZGWKBFKEOR-VXGBXAGGSA-N 350.481 1.429 0 40 FDAB CCCS(=O)(=O)Nc1ccc(NC(=O)NCCc2nc(N)no2)cc1 79068057 TXQBZMFFMSCRFI-UHFFFAOYSA-N 368.419 1.168 0 40 FDAB C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(-n2cncn2)cc1 79095602 ZQJWNPMUGSHOEC-CZUORRHYSA-N 350.444 1.817 0 40 FDAB CCOc1ccc(CCC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)cc1 32869819 BRHKDLMPOFYRPR-UHFFFAOYSA-N 373.453 1.808 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 21702723 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COC(=O)C1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 7647704 MRBWJFFYYDXZHZ-UHFFFAOYSA-N 363.414 1.477 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)CCNC(=O)c2ccccc2)cc1 7846528 WKACJOWMROWAMQ-UHFFFAOYSA-N 353.422 1.825 0 40 FDAB CCC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408706271 YZJKIHXCHYPJER-GFCCVEGCSA-N 356.444 1.876 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3ccccc3o2)CC1 20739923 APPHDATYSDBPCZ-ZDUSSCGKSA-N 373.409 1.852 0 40 FDAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4)sc3nc2=O)cc1 8550183 INIMZLYYRDQZOQ-ATVHPVEESA-N 361.426 1.958 0 40 FDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 95402844 NMZGAEOQVIWLJJ-JTQLQIEISA-N 352.243 1.604 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2nc(C)cs2)cc1 95939104 MVLPZRUSJKXWOX-SNVBAGLBSA-N 353.469 1.893 0 40 FDAB COc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63387075 ANDPXSQZOZVBOZ-IRXDYDNUSA-N 366.483 1.556 0 40 FDAB Cc1cccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c1 22931036 DQHAGXZDLANSBH-KRWDZBQOSA-N 358.486 1.562 0 40 FDAB COc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C2 1548338367 RTVZXNYNBVOABY-MRVPVSSYSA-N 362.773 1.984 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N1CCc2ccccc21 28727162 INDDLTSXQOJIFD-CQSZACIVSA-N 373.478 1.916 0 40 FDAB Cc1cc(N2Cc3ccnn3[C@@H](CC(=O)N3CCCC3)C2)n2ncnc2n1 306143551 YFKFIFFYPFXJKF-HNNXBMFYSA-N 366.429 1.203 0 40 FDAB CO[C@@]1(C)C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1(C)C 521621201 PYEWOBPSMABGMA-PBHICJAKSA-N 371.455 1.974 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1N1CCOCC1 217577185 YHJYILOTCCFALP-UHFFFAOYSA-N 354.428 1.442 0 40 FDAB Oc1ccc(N2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1 72348171 BBEUOZJUJIXVHR-UHFFFAOYSA-N 355.442 1.341 0 40 FDAB N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2ccnc3nccn23)C1 72360637 STCXQKWIPUPOOT-HOCLYGCPSA-N 353.401 1.754 0 40 FDAB CN(CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 32462683 HWIHSWLTNHATPW-UHFFFAOYSA-N 373.434 1.084 0 40 FDAB CCOC(=O)[C@@H]1CCCN(c2nc3ncc4c(c3c(=O)[nH]2)CCCC4=O)C1 40372935 BDQITGXOKIMQQR-LLVKDONJSA-N 370.409 1.617 0 40 FDAB CCOC(=O)[C@H](C)Oc1cc(-n2c(=O)cnn(C)c2=O)c(F)cc1Cl 85389276 LMTKAJVIAGNOBK-QMMMGPOBSA-N 371.752 1.054 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cccc3c2OCCO3)C1 225387423 SDLDWRIWGMHTGU-LBPRGKRZSA-N 357.366 1.550 0 40 FDAB CCCCN(C)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 514288579 IKIWXZZWYDPBHX-OKZBNKHCSA-N 370.515 1.040 0 40 FDAB biogenic,in-vitro O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C(=O)c3cnccn3)C2)C1 96047131 YMLKLBWNMRYBOF-FQEVSTJZSA-N 365.437 1.569 0 40 FDAB Cc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)c1 144570530 JBJYEECTXGFBNL-UHFFFAOYSA-N 361.423 1.499 0 40 FDAB CC(C)CC(=O)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225120 JHKINRSRVSOHSW-IBGZPJMESA-N 358.442 1.881 0 40 FDAB O=C(c1cnccn1)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96040396 KBGMGVZJWXGBRJ-LPHOPBHVSA-N 354.410 1.962 0 40 FDAB CCS(=O)(=O)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 96051675 GAUBJHYDMORNQY-OAHLLOKOSA-N 372.512 1.559 0 40 FDAB CC(C)CNC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 96264784 XUWUUGNUPMOJCY-UHFFFAOYSA-N 366.487 1.382 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)c4ccncc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96062585 MWGXSJIBNJNBCY-LAUBAEHRSA-N 370.497 1.734 0 40 FDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2N1C(C)C 96182695 SLDMVLHSXLKCGI-NXHRZFHOSA-N 354.454 1.837 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 96040213 DICNALMOVPTVOP-DLBZAZTESA-N 354.472 1.819 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccoc1)C2 96050150 TXUCHSJIOAQMCK-HXUWFJFHSA-N 367.405 1.760 0 40 FDAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)cs1 248129318 MQJCZSSXLKHUQG-HNNXBMFYSA-N 362.455 1.775 0 40 FDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1ccco1 247864818 OCOVWWZLLJCWCJ-KRWDZBQOSA-N 358.442 1.966 0 40 FDAB CCn1cc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2C(C)=O)cn1 257335484 YKIFDFCMIJPUNH-VXIBKDFQSA-N 362.474 1.563 0 40 FDAB Cc1c(C(=O)N2CC[C@@](O)(CN3CCN(C)CC3)C2)oc2ccccc12 257333457 YBQPHNRCMBKFKT-HXUWFJFHSA-N 357.454 1.566 0 40 FDAB CN1CCc2cc([C@H](O)CNS(=O)(=O)c3c(F)cccc3F)ccc21 96362660 LAPPRFMEBGKOSA-MRXNPFEDSA-N 368.405 1.969 0 40 FDAB Cc1ccc(CN(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 575420085 FKEBWAFDYDIJPL-IBGZPJMESA-N 366.527 1.706 0 40 FDAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCC[C@H](C)C3)snc2c1=O 49409831 XWPDZFWMDBYNMY-JTQLQIEISA-N 350.444 1.819 0 40 FDAB Cn1cc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1C(N)=O 56123794 YUKOJFXRSREZOS-UHFFFAOYSA-N 373.434 1.635 0 40 FDAB CC(C)[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1)C(=O)O 5633426 YYGUVTUKLKBQCN-ZIAGYGMSSA-N 364.398 1.365 0 40 FDAB Cn1nnnc1SC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5943363 CBQYOOROJGJLDC-UHFFFAOYSA-N 368.422 1.948 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N1CCC[C@H](O)C1 12086843 ONEGSIDISPFXFI-HNNXBMFYSA-N 374.437 1.054 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cnn2cccnc12 12154888 OVAWPTVRBXBKAT-SWLSCSKDSA-N 359.393 1.982 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cnn2cccnc12 12154891 OVAWPTVRBXBKAT-DOMZBBRYSA-N 359.393 1.982 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 12187257 BVTJGEPFADOQQK-GOEBONIOSA-N 369.465 1.968 0 40 FDAB NC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12804197 VZJXEEVIRMMYTG-UHFFFAOYSA-N 374.418 1.583 0 40 FDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1 17074114 ZZEVMQLARWGHRS-WBVHZDCISA-N 359.426 1.514 0 40 FDAB Cc1ccc(CC(=O)N[C@@H](C)c2cc(=O)[nH]c(N3CCN(C)CC3)n2)cc1 19209918 SRGFFVBFHSJJQK-HNNXBMFYSA-N 369.469 1.250 0 40 FDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)Cn4ccnc4)CC3)cc2N1 19345461 PARBMROMOKDLAN-UHFFFAOYSA-N 368.393 1.336 0 40 FDAB CCS(=O)(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccccn1 19520236 IXLRPUJAAFPPSC-UHFFFAOYSA-N 361.471 1.920 0 40 FDAB COCCC(=O)N1C[C@H]2CCc3nnc(-c4ccccc4OC)n3[C@H]2C1 19593218 INXZCPGWMKVCDB-HIFRSBDPSA-N 356.426 1.936 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716542 SIHLKSPIQUDKGX-KRWDZBQOSA-N 363.421 1.986 0 40 FDAB CCOC(=O)N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 19809523 ZOJLWVWOOJJRMD-HNNXBMFYSA-N 366.414 1.067 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1 225406473 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1565550473 ABORKJHARLNJDF-IKGGRYGDSA-N 356.382 1.458 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@H]32)CC1 1565551935 MFCNEPUKHUHGNM-UNMDQXAASA-N 368.481 1.703 0 40 FDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(F)cc1 5302284 UBZKMLHRAXZTJT-UHFFFAOYSA-N 362.426 1.944 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 8863599 SCJVCJKTJPFCTK-CYBMUJFWSA-N 361.423 1.834 0 40 FDAB NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(Cl)cc1 9827665 FOFWSGQWSCNAQU-UHFFFAOYSA-N 354.819 1.245 0 40 FDAB Cn1c(=O)c2c(SCC(=O)Nc3ccccc3F)ccnc2n(C)c1=O 10217024 HAOOJUWALXOQOH-UHFFFAOYSA-N 374.397 1.502 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2cccc(F)c2)C1 2055772064 UFLNCRBOPXXAEB-LJQANCHMSA-N 358.417 1.671 0 40 FDAB COc1cccc(-n2ccn(CC(=O)Nc3cccc(C)c3)c(=O)c2=O)c1 20489002 CNZNGDHDDXLHFS-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4ncc(F)cn4)C3)nc2n1 575614153 XCAKLSXOEFDUEQ-ZDUSSCGKSA-N 371.376 1.354 0 40 FDAB NCCn1nc([C@H]2CCN(C(=O)c3cccc(F)c3)C2)c2nccnc21 19293496 UGDUSSZQYPIURV-ZDUSSCGKSA-N 354.389 1.554 0 40 FDAB O=C(COCCOc1ccccc1)NC1CCN(c2ncccn2)CC1 40134387 UECACASCGZYSKK-UHFFFAOYSA-N 356.426 1.657 0 40 FDAB OCCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 20149989 UQRFSMXCCFREHO-UHFFFAOYSA-N 358.833 1.583 0 40 FDAB CCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 100439073 RZPZGHAHMZPQCP-UHFFFAOYSA-N 367.427 1.094 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]1 31225267 AZJCWMBEVVIWGL-HNNXBMFYSA-N 368.437 1.807 0 40 FDAB COc1cccc(CN(C)C(=O)C2=NN(c3ccccc3)C(=O)CN2)c1 32675025 MTSZAKCPWGWBRS-UHFFFAOYSA-N 352.394 1.604 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(C(=O)c2cccs2)CC1 32721530 YDNNEEBKJGBMLC-UHFFFAOYSA-N 367.434 1.927 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 1028322 LFVFPKJVNOVIAU-MCYUEQNJSA-N 350.168 1.254 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nnnn2C)c1 21561280 MSWQMRPWFGRVSE-UHFFFAOYSA-N 371.422 1.923 0 40 FDAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-n2cnnn2)cc1 3548340 VFJUSVGILCFGMF-LBPRGKRZSA-N 367.365 1.855 0 40 FDAB Cc1cccc(OCCNC(=O)CN2CCN(Cc3ccccn3)CC2)c1 22012237 ZPOGKDMEWISILD-UHFFFAOYSA-N 368.481 1.703 0 40 FDAB CCS(=O)(=O)Nc1ccc(CN2C(=O)N[C@@H](CCSC)C2=O)cc1 97045868 VOXGBGZHESBCEO-ZDUSSCGKSA-N 371.484 1.622 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100420595 ZZJUGYVSAAZSHH-XTDOFWJNSA-N 360.410 1.282 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1Cl 886857 YALAKYQVANVNPN-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926556 INEYOJMSAVEMGI-CYBMUJFWSA-N 366.801 1.777 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(CCN2CCCC2)CC1 22934973 KVQNZYUNCXYPAV-UHFFFAOYSA-N 372.469 1.225 0 40 FDAB CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 54360957 AVRQBJJCBVYZBJ-LCYFTJDESA-N 351.403 1.540 0 40 FDAB CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 57477417 NXEKRAWDQGWGKB-UHFFFAOYSA-N 351.406 1.890 0 40 FDAB CCN(CC(=O)NC(C)(C)C)CN1C(=O)NC2(CCC(C)CC2)C1=O 35515190 SYLJRJSGCUBADH-UHFFFAOYSA-N 352.479 1.681 0 40 FDAB CC(C)(C)NC(=O)CN1CCCN(CCn2c(=O)oc3ccccc32)CC1 26908521 XDEARASLCYPCDW-UHFFFAOYSA-N 374.485 1.517 0 40 FDAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)Cc4nonc4C)C3)cc2n1 100138168 XREWQQIPDMQCLZ-LBPRGKRZSA-N 370.413 1.637 0 40 FDAB O=S(=O)(C1CCCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1 58166183 ZMTJKHZZLIKQLB-UHFFFAOYSA-N 367.519 1.395 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)Nc3ccnn3C[C@@H]3CCOC3)cnc12 58281708 PVGDVLGFYVVOTM-AWEZNQCLSA-N 367.409 1.577 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)OCC(=O)N2 12781943 LSNCCMUKKUKWKZ-UHFFFAOYSA-N 372.377 1.973 0 40 FDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12882388 DBZVRSIREXOPDN-NHYWBVRUSA-N 371.231 1.909 0 40 FDAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)OCN1C(=O)c2ccccc2C1=O 2471443 XYVKLPHQEACESA-SWLSCSKDSA-N 373.409 1.804 0 40 FDAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(=O)NC(N)=O 11548033 ZNQMNAOSLLMVGE-VIFPVBQESA-N 360.345 1.240 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N(Cc1ccco1)C1CC1 12893443 HCWMVGSPTJZPOH-UHFFFAOYSA-N 373.434 1.899 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1C 38556515 HFLQNERXCHITRP-LBPRGKRZSA-N 352.412 1.580 0 40 FDAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 4150524 GYIAJRSFHASDQT-CYBMUJFWSA-N 350.371 1.856 0 40 FDAB CCOC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@@H]1CCCO1)n2C 13730266 AIXMNINPYHIROQ-HNNXBMFYSA-N 360.414 1.979 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 22619654 DBJFQEAZLQJSBV-UHFFFAOYSA-N 355.753 1.248 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1sccc1S(N)(=O)=O 14198631 UXQYBBDEZQIWSQ-AOOOYVTPSA-N 360.457 1.342 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 27481693 WLCGSXWGNSJSDM-UHFFFAOYSA-N 352.456 1.765 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@@H]2c2cn(C)cn2)C1=O 306123864 AYXBFIXTFLPWMJ-AUUYWEPGSA-N 372.425 1.118 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 4999943 PKFZDEUAXZXMBB-UHFFFAOYSA-N 371.393 1.109 0 40 FDAB Cc1nn(CC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1Br 6921623 ZGKICLMRUURPFR-SECBINFHSA-N 355.114 1.423 0 40 FDAB COc1ccccc1CNC(=O)c1snc(C(=O)NCC2CC2)c1N 67335042 UASXKDVDJBBWKD-UHFFFAOYSA-N 360.439 1.804 0 40 FDAB COc1ccc(OC[C@@H](O)CN2CCN(CCc3ccccn3)CC2)cc1 71280349 UNXMAENQIHGEIK-IBGZPJMESA-N 371.481 1.690 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 71297150 JPARRBBIBLFFGL-LIRRHRJNSA-N 357.410 1.657 0 40 FDAB CCOc1ccc2nc(SCC(=O)N3CCCC[C@@H]3C(N)=O)[nH]c2c1 9156730 DECCMBSPFNRQMO-CQSZACIVSA-N 362.455 1.920 0 40 FDAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 16928897 KKQAGRJBGNLGDQ-GFCCVEGCSA-N 361.471 1.746 0 40 FDAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCCc2ccccc21 9478139 AUZDSISQSPUTFA-CQSZACIVSA-N 359.455 1.924 0 40 FDAB CC(C)Cc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc(=O)[nH]1 95991848 HVWXVBYRHIWMDN-UHFFFAOYSA-N 363.439 1.614 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3nc2N2CCCC2)CCO1 95957358 SCWQHJJVHPURQK-INIZCTEOSA-N 354.410 1.161 0 40 FDAB O=C(NC[C@@H]1CN2CCN1CC2)c1cc(C2CC2)nc2ccc(F)cc12 89807239 SWAJOFJWDATHHE-OAHLLOKOSA-N 354.429 1.981 0 40 FDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)c1 409289247 LTACZUYLQZYWHP-NNFUDEMPSA-N 373.361 1.080 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@H](C(=O)N3CC(F)(F)C3)C2)no1 306126267 DRDFREYXRAOIKN-CYBMUJFWSA-N 350.369 1.894 0 40 FDAB CCN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2CCOC)CC1 35310858 SYHOEOMNKUBGTC-MRXNPFEDSA-N 364.881 1.700 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)N2CCCC2)C1=O 32841644 UCDHWJNCFKKVJG-AWEZNQCLSA-N 359.426 1.319 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(Cn2cncn2)cc1 72401529 UKTKKDWOOPWKLY-UHFFFAOYSA-N 364.409 1.401 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35485103 FFQIKUBCTCLQFD-KUHUBIRLSA-N 367.449 1.531 0 40 FDAB biogenic C[C@](O)(CCc1ccccc1)CNC(=O)C1CCN(S(C)(=O)=O)CC1 61975778 JGMOOFGQNHAKPH-SFHVURJKSA-N 368.499 1.158 0 40 FDAB Cc1cc(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)n2ncnc2n1 35311014 XLEPOFBKLLAIBJ-MRXNPFEDSA-N 350.426 1.966 0 40 FDAB COc1cc(COC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC 35023534 QZZNBGSXFVUYCE-FMKPAKJESA-N 369.458 1.699 0 40 FDAB C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)COc1ccccc1 222772530 TXHNBQYFRZOQQY-INIZCTEOSA-N 356.422 1.591 0 40 FDAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1CCN1CCOCC1 223124603 KHAQVLQRZOYROU-SJORKVTESA-N 358.467 1.979 0 40 FDAB COc1ccccc1N1CCN(C(=O)COc2c[nH]c(C)cc2=O)CC1 95477528 AXXIVBOQJGOZAF-UHFFFAOYSA-N 357.410 1.420 0 40 FDAB COc1ccc(CN2C[C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3C2)cc1 96054267 SILJVGVESHPSJH-RTBURBONSA-N 353.422 1.702 0 40 FDAB CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(O)nn3)CC2)cn1 583621940 WKCMLGDRYDMUTP-ZDUSSCGKSA-N 356.430 1.750 0 40 FDAB CN(C)c1cc(N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)ncn1 248079675 CKXZYSGOAFSGLL-MRXNPFEDSA-N 355.442 1.892 0 40 FDAB Cc1ncncc1C(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257298396 RLLJAFUWYIFQOA-MRXNPFEDSA-N 355.442 1.720 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 250337262 AKXSSJKDVXOYII-DUVNUKRYSA-N 351.472 1.848 0 40 FDAB COc1cnc([C@H]2CCCN2C(=O)c2cnc3[nH]c(O)nc3c2)nc1O 1653336584 FOAWIYQBKQTQIV-SNVBAGLBSA-N 356.342 1.145 0 40 FDAB Cc1cc(N2CC[C@H](n3cc(C[C@H](N)c4ccccc4)nn3)C2=O)n(C)n1 641100091 WYYSKELUHJAQDR-IRXDYDNUSA-N 365.441 1.541 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)Nc2cnn(CC(F)(F)F)c2)cnn1C 643709925 ODOCFOMZEMUJCC-OLZOCXBDSA-N 356.352 1.429 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)O 653496639 ACCZTNPMQVAYFB-ZDUSSCGKSA-N 350.396 1.373 0 40 FDAB CCn1c(O)nc2cc(C(=O)N3CCN(c4cccnn4)CC3)ccc21 667851926 DMXCNOZNQHLIGC-UHFFFAOYSA-N 352.398 1.514 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C)cc2)CCO1 643846482 RAVIJSPVCLMVOG-OKZBNKHCSA-N 374.437 1.259 0 40 FDAB Cn1cnc(C(=O)N2Cc3cccn3C[C@H](OCc3ccccn3)C2)c1 575406889 XDYDELGFCWPSEW-KRWDZBQOSA-N 351.410 1.858 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(OC)c1)[C@@H]2C 585097882 SMNQNCGEBYUTBD-LLVKDONJSA-N 352.416 1.199 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccco3)C2)n(C)n1 585111751 AMXUZDDYMAVNML-OAHLLOKOSA-N 368.441 1.895 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)c2cncnc2O)[C@H]1Cc1ccccc1 585275703 DPQXEDWJWKJFGE-IRXDYDNUSA-N 354.410 1.534 0 40 FDAB CS(=O)(=O)CCNC(=O)/C=C/c1ccc(I)o1 48937440 VMQCASLSEDLAQP-HWKANZROSA-N 369.180 1.058 0 40 FDAB C[C@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)n1cncn1 57262033 PGSVRHITFRIHAA-NEPJUHHUSA-N 362.821 1.765 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CC(COc2cccnc2)C1 1775972609 NHXUYYYXCFJMBW-UHFFFAOYSA-N 362.436 1.786 0 40 FDAB O=C1N[C@]2(CCCN(C(=O)c3n[nH]c4c3CCC4)C2)Oc2ccccc21 12087598 DMIQLVACNZPEOB-LJQANCHMSA-N 352.394 1.653 0 40 FDAB CCc1cc(CC)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)n1 12518811 AKXCMZPJUFMLHR-UHFFFAOYSA-N 372.473 1.790 0 40 FDAB Cc1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cs1 19572079 QIURMMIDBPIUJJ-UHFFFAOYSA-N 360.483 1.990 0 40 FDAB COc1ccc([C@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)c(OC)c1 19973959 CDTPRWDRPRQZPP-SECBINFHSA-N 366.377 1.830 0 40 FDAB CCc1nnc(S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)O)[nH]1 7342534 FISCXPZNWBPHAJ-WQLSENKSSA-N 359.411 1.775 0 40 FDAB C[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ncc(C(=O)O)s1 621608086 JWVRRSVRUGOWAX-VIFPVBQESA-N 354.432 1.412 0 40 FDAB CCS(=O)(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 19520251 BWMHOKFYARLCHN-CYBMUJFWSA-N 351.476 1.132 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)nn1 1888843208 CEYDXOSRMRNFAO-PHIMTYICSA-N 366.347 1.437 0 40 FDAB CCn1cc(S(=O)(=O)N2CC[C@@H](COc3ccc(C)nn3)C2)nc1C 1888867136 ZJKMSAWECQZODV-CQSZACIVSA-N 365.459 1.399 0 40 FDAB CN([C@H]1CCN(c2nccn3nccc23)C1)S(=O)(=O)Cc1ccccc1 1888904181 LIPSSGWUEFANFK-INIZCTEOSA-N 371.466 1.770 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccc(F)cc2F)nn1 1888918096 HXLCMGOCOYXXFI-AWEZNQCLSA-N 363.324 1.737 0 40 FDAB CCc1noc([C@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 32760279 IDENWLJQXJETJD-HNNXBMFYSA-N 357.458 1.627 0 40 FDAB Cn1c(=O)n(C)c2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 2087043987 HEJNHNZGMWPPGS-UHFFFAOYSA-N 358.833 1.647 0 40 FDAB CCc1cnc(N2CCO[C@]3(CCCN(C(=O)[C@H]4CCOC4)CC3)C2)nc1 2055793238 DJFONSXGMVABAJ-PXNSSMCTSA-N 374.485 1.663 0 40 FDAB CN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 22466251 JWEWFUZUNYLKDF-SFHVURJKSA-N 350.503 1.988 0 40 FDAB COc1ccccc1NC(=O)C[C@@H](NCCNCc1ccccc1)C(=O)O 22792406 KHPFDTTWEDPNMD-QGZVFWFLSA-N 371.437 1.856 0 40 FDAB O=C(c1ccc2nn[nH]c2c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775968546 QGOAMABXDKSZTE-UHFFFAOYSA-N 364.409 1.869 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCCc1ccccc1 842292 JVFNISHHPKYWNR-UHFFFAOYSA-N 374.422 1.233 0 40 FDAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1nnnn1-c1ccccc1 40089687 OGYUUDGTNXXKLT-YPMHNXCESA-N 358.431 1.681 0 40 FDAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccc3c(c2)OCO3)C1=O 101383264 VAICUKUFHQZEGC-ALFMNPPXSA-N 374.349 1.356 0 40 FDAB Cc1ccc(S(=O)(=O)NCNS(=O)(=O)c2ccc(C)cc2)cc1 1642136 VBEPEBXZDYHLMW-UHFFFAOYSA-N 354.453 1.518 0 40 FDAB O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2)CC1 4160954 VJUHPZYLUVYGBU-UHFFFAOYSA-N 370.438 1.173 0 40 FDAB CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 32921922 UZUJXUBGZDHALP-UHFFFAOYSA-N 370.453 1.502 0 40 FDAB CCOC(=O)C(=O)N1N=C(c2ccc(OC)cc2)C[C@@]1(O)C(F)(F)F 4265974 CTAPSNPMCDEBNF-CQSZACIVSA-N 360.288 1.446 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1nc3ccccn3c1=O)C[C@@H]2O 32923156 OYRQWHBGWXLLDT-ZDUSSCGKSA-N 356.382 1.020 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1OC 4516998 LYSOCJZEFZVUMX-UHFFFAOYSA-N 364.427 1.005 0 40 FDAB COc1ccc2nc(N3CCN(C(=O)C4=COCCO4)CC3)sc2c1 4583429 MBCVZLCFRWEIDD-UHFFFAOYSA-N 361.423 1.842 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-n2cncn2)nc1 32905440 HQUYIYOGFAKFMU-UHFFFAOYSA-N 361.365 1.171 0 40 FDAB Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(c1ccccn1)C2=O 6133686 ZYGUWGGMQUFXJF-UHFFFAOYSA-N 369.358 1.864 0 40 FDAB Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCCCC1 10111653 MNXFXBXKYRECOP-UHFFFAOYSA-N 367.515 1.851 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CN1C[C@H](C)O[C@H](C)C1 100142959 BTHVVWMTLAJHEY-IVSAIRAKSA-N 369.469 1.735 0 40 FDAB Cn1c(NC[C@H]2CCCO2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 838217 XJXJIGRPPHNXLY-CQSZACIVSA-N 369.425 1.073 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCc1ccccc1 856243 RXKCKKUYDBEQFO-UHFFFAOYSA-N 363.215 1.819 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC(=O)NC(C)C)c2C)n1 23114440 NLIODONRISFEJN-UHFFFAOYSA-N 358.446 1.079 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 951751 PABHDFVSSOXPRY-ZDUSSCGKSA-N 359.357 1.228 0 40 FDAB O=C1NC(=S)N/C1=C\c1coc2cc(Br)ccc2c1=O 100962244 IWYAKBYMLLOEAT-OQFOIZHKSA-N 351.181 1.901 0 40 FDAB Cn1c(N)c(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c(=O)n(C)c1=O 24749366 VBICIMWPSWBYHD-UHFFFAOYSA-N 371.422 1.031 0 40 FDAB O=C(c1cscn1)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100754125 VICKPGIQKNCSKH-IAQYHMDHSA-N 357.439 1.672 0 40 FDAB CCn1c(CN2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 21868186 XGLOMSRQEIMVEN-UHFFFAOYSA-N 352.460 1.139 0 40 FDAB CCCCN(C)S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1 56062727 BEFJNEOHHAZQFA-UHFFFAOYSA-N 353.488 1.989 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1C1CC1 12685261 PGHSQPIKGRCFHO-ZDUSSCGKSA-N 361.427 1.001 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3ccccn3)CC2)cc1 23089579 PQQBEQWKTAGQBX-UHFFFAOYSA-N 367.453 1.796 0 40 FDAB O=C(COC[C@@H]1C[C@H]2OCCN(Cc3cccnc3)[C@@H]2C1)N1CCCC1 107804532 FNVUNVZAFXLFCM-IPMKNSEASA-N 359.470 1.700 0 40 FDAB CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 58293437 PNGUVZNQYVINIM-ZFWWWQNUSA-N 370.471 1.185 0 40 FDAB CC[C@H](NC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O 2159256 CFLGRRJTMXNSRV-LBPRGKRZSA-N 363.366 1.641 0 40 FDAB biogenic NC(=O)c1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 12772589 ASAQHTGKYUGYKZ-UHFFFAOYSA-N 358.379 1.693 0 40 FDAB CC(C)[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 10926755 CVPFOFNXYHCESP-GOSISDBHSA-N 351.410 1.943 0 40 FDAB NC(=O)C1CCN(C(=O)CN(Cc2cccs2)C[C@H]2CCCO2)CC1 12795528 BCDAIDUOLNGHGI-OAHLLOKOSA-N 365.499 1.453 0 40 FDAB O=C(CCNC(=O)c1cnccn1)O[C@@H](C(=O)NC1CC1)c1ccccc1 48300238 LSKMYMLRBSRXKD-QGZVFWFLSA-N 368.393 1.160 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1cnn(Cc2ccccc2)c1 11499128 IIPROUCUCKGIEQ-CQSZACIVSA-N 355.442 1.740 0 40 FDAB COc1ccccc1OCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 12852693 XJBAZZZVBKIGDL-UHFFFAOYSA-N 372.377 1.349 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2cccc(F)c2)CC1 28233835 HLFKYHWQLLIGBD-UHFFFAOYSA-N 353.401 1.915 0 40 FDAB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 18360752 JFGVSNOWCRWGOM-GWCFXTLKSA-N 374.846 1.634 0 40 FDAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)ccc1C 12912216 WKFKZUCXIWANBS-CQSZACIVSA-N 368.455 1.461 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 18526022 VTVWIEDMIHLAET-GJZGRUSLSA-N 371.412 1.426 0 40 FDAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)O 49546512 WXRNNMRRXOHEKM-HNNXBMFYSA-N 361.373 1.665 0 40 FDAB CCCc1nnc(NC(=O)[C@@H](CC)Sc2nc(N)cc(=O)[nH]2)s1 4386115 GYAFLOAINSZAOO-SSDOTTSWSA-N 354.461 1.666 0 40 FDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)N1 65657233 POCAZWUCYIEWLB-CHWSQXEVSA-N 351.790 1.228 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 66045270 NUJFIRPCLAYAFV-QGZVFWFLSA-N 367.515 1.610 0 40 FDAB CCC(CC)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 6653169 BUNDNPYFXMSSBC-UHFFFAOYSA-N 370.519 1.979 0 40 FDAB CCOC(=O)C1=NO[C@H](Cc2c(C=O)c(OC)c3c(c2OC)OCO3)C1 14987906 GIBKSLLHUFHDOK-SECBINFHSA-N 365.338 1.496 0 40 FDAB CCc1cc2c(=O)n(NC(=O)CNC(=O)c3cccs3)cnc2s1 6967318 MTPLPJKSHLMXBK-UHFFFAOYSA-N 362.436 1.582 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)c2ccccc2O1 7252936 WCXPDJLQVJUXCT-MRXNPFEDSA-N 361.348 1.917 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)Cc3ccsc3)nc2n1 7316485 LIKYSIWYQOLPFG-UHFFFAOYSA-N 359.411 1.618 0 40 FDAB COc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1OC 8115604 DWVTURDGCIOPQO-UHFFFAOYSA-N 350.415 1.002 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 8570144 XNKIWKMOSZDIOW-AWEZNQCLSA-N 359.382 1.557 0 40 FDAB Cc1ccc(SCCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 71793255 FSQQQDLUVMUYAF-UHFFFAOYSA-N 361.467 1.986 0 40 FDAB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1nccs1 97285903 BXIOVYDJHDJHDT-OAHLLOKOSA-N 353.469 1.858 0 40 FDAB O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 84504741 UEAPKVYHCUYCFZ-LLVKDONJSA-N 368.315 1.978 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306124794 BZSVRDYSAUPBIR-CQSZACIVSA-N 367.471 1.307 0 40 FDAB CNC(=O)[C@@H]1CCCN(C(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1 95465619 MYLJHMKUHUPLPW-WBMJQRKESA-N 358.360 1.811 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cn1ccnn1 95998444 NGMNXWJZFDQKIN-QGZVFWFLSA-N 366.425 1.681 0 40 FDAB CCc1nnc(CN2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)o1 95999693 FMBHIUVSDNQEDI-QGZVFWFLSA-N 369.469 1.945 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)N1CCN([C@@H]2CCSC2)CC1 75106339 GYIBLMCWAZBWPB-DOTOQJQBSA-N 363.527 1.823 0 40 FDAB CN(CC(C)(CO)CO)C(=O)Nc1cccc(Cl)c1N1CCOCC1 89895813 BIPDWZWCBWHNOS-UHFFFAOYSA-N 371.865 1.631 0 40 FDAB CC[C@H](O)CN1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)CC1 89943362 BLKDLDKMKLSSJL-HOTGVXAUSA-N 356.470 1.950 0 40 FDAB Cc1ccccc1OCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 60133002 DWKMLBLOLGLFEJ-UHFFFAOYSA-N 362.817 1.865 0 40 FDAB O=C(CC1CC1)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306135992 PFYFMMQHXZBSRO-OAHLLOKOSA-N 364.467 1.414 0 40 FDAB Cc1nc(C(=O)NCC[C@H]2CN(c3ncccn3)Cc3ccnn32)cs1 306136652 PZGLQPBTYWPPOB-ZDUSSCGKSA-N 369.454 1.819 0 40 FDAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 56327911 JZAOLICTQHAEOF-UHFFFAOYSA-N 363.458 1.926 0 40 FDAB C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)c1cccnc1 548677348 VOWOIYLYDCFNLF-BPUTZDHNSA-N 372.448 1.774 0 40 FDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCc1ccco1 32910788 NWUJGGYJSWZKDO-LLVKDONJSA-N 364.785 1.911 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217470845 IPMRHWDHDVZGNR-LLVKDONJSA-N 360.432 1.146 0 40 FDAB Cc1cc(Br)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)s1 560481429 MZBFKBKWTUABBU-QMMMGPOBSA-N 370.246 1.293 0 40 FDAB CO[C@]1(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CCSC1 227664109 QFCUTJRDUCDNIE-RCBQFDQVSA-N 361.529 1.823 0 40 FDAB CCc1nn2c(nnc3c(=O)n(NC(N)=O)ccc32)c1-c1ccc(F)cc1 40391792 KOIZYCZKFKSQEF-UHFFFAOYSA-N 367.344 1.430 0 40 FDAB CN1CCN(c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ncn2)CC1 75166230 CCJONSPVDWJXEK-UHFFFAOYSA-N 356.386 1.601 0 40 FDAB O=C(Nc1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224323917 PRGMRBFLFRPBOJ-UHFFFAOYSA-N 368.441 1.667 0 40 FDAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1cccnc1 225401843 KHYCYFPOTLMNSD-RBUKOAKNSA-N 366.465 1.520 0 40 FDAB biogenic,in-vitro Cc1ncsc1NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 332346098 TXXFOTKRGRVKLU-MRVPVSSYSA-N 357.461 1.107 0 40 FDAB COc1ccc([C@H](CN(C)C)NS(=O)(=O)N2CCOC(C)(C)C2)cc1 330501662 ARSIAIHYBFQPJG-INIZCTEOSA-N 371.503 1.243 0 40 FDAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96040528 YIMNSVDWEPJQSS-ZBFHGGJFSA-N 357.476 1.405 0 40 FDAB COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(OC)c1)C2 96217475 XCUCKWPBJVLZKT-WMLDXEAASA-N 354.472 1.284 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@H](O)C=C4[C@H](C2)N(C)CC[C@@]431 96316396 LQIKGKFOKAXCRM-ZZGUTQAHSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro Cc1ccc(NC[C@H]2CO[C@]3(COCCN(c4cnccn4)C3)C2)nn1 96078500 QYDVIHZDOVWOEI-MAUKXSAKSA-N 356.430 1.299 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 96077173 DKWBKLJARLKGND-UHFFFAOYSA-N 354.454 1.983 0 40 FDAB Cc1cccc(Cn2cccc(C(=O)N3CCO[C@H](C(=O)O)C3)c2=O)c1 583650618 RKTSAHNZSYILOA-INIZCTEOSA-N 356.378 1.131 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96157876 DELVIHGAERUJHZ-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB O=C1CO[C@]2(COCCN(c3cnccn3)C2)CN1c1cccc(F)c1 96240110 KIXNVUOIBHWNBY-SFHVURJKSA-N 358.373 1.255 0 40 FDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3ccccn3)C2)OC1)C1CC1 247312827 JBUNGVKIRXCEDL-CQSZACIVSA-N 351.472 1.144 0 40 FDAB CC(C)n1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1 247984881 IMQKQWYQYQDYFV-IPMKNSEASA-N 369.469 1.736 0 40 FDAB C[C@@]1(O)CN(Cc2ccccc2F)CC[C@H]1n1cnc2c(N)ncnc21 257224663 FCUFPPLBJPUUJZ-RDTXWAMCSA-N 356.405 1.746 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH]1 257299288 RPLIVDAFKRCDNV-GFCCVEGCSA-N 358.446 1.696 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3ccnc(O)n3)C2)c1C 257297484 RHKXYBCESMPUIK-LBPRGKRZSA-N 351.432 1.275 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)c2cc(OC)cc(OC)c2)CCO1 257331340 XSLGQWDOZUETDT-OAHLLOKOSA-N 358.398 1.749 0 40 FDAB CNc1cccc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257295900 RAIOBXPJDHQVRX-QGZVFWFLSA-N 355.442 1.550 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccnn1C 592706777 WNTFKLRCDQPJFF-ABAIWWIYSA-N 360.345 1.016 0 40 FDAB CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1 603154286 KDBAZDHZSCZYKT-VGBNFVDYSA-N 356.426 1.553 0 40 FDAB O=C(NCc1ccc2c(n1)CCCC2)N1CCN(C[C@H]2CCCO2)CC1 683717264 VNTMCRFYZHYFKP-GOSISDBHSA-N 358.486 1.967 0 40 FDAB COc1ccc([C@H]2[C@H](CNC(=O)NCCc3nccn3C)CCN2C)cc1 1775996468 ZRJMYQQKFUPEMV-LPHOPBHVSA-N 371.485 1.963 0 40 FDAB O=S(=O)(Cc1ccccc1)NCCNc1ccc(-n2cccc2)nn1 90607790 VFWZVTFJTZCBKS-UHFFFAOYSA-N 357.439 1.799 0 40 FDAB O=C(Cn1cnc2c1CCNC21CCOCC1)N1CCC2(CCC2)CC1 1614627869 WJGVKNHUSWUYHY-UHFFFAOYSA-N 358.486 1.827 0 40 FDAB O=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)c1ccoc1 96096383 OCFGKSRVLCAGBO-UHFFFAOYSA-N 357.395 1.770 0 40 FDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@]1(C2CCCC2)CCNC1=O 626716165 YXOIHVQAYHGPLC-YJYMSZOUSA-N 360.458 1.949 0 40 FDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)c1 575406465 XIQQAKYVDGWXGH-MRXNPFEDSA-N 355.398 1.338 0 40 FDAB COc1nc(CNC(=O)C2(c3ccccc3)CCOCC2)nc(OC)n1 575604312 WHBFHWKXQVQENG-UHFFFAOYSA-N 358.398 1.253 0 40 FDAB CSc1nnc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1C 5001463 GXKGILMXTCSLCW-SNVBAGLBSA-N 352.489 1.812 0 40 FDAB COc1ccccc1Cc1nnc(NC(=O)Cn2cccnc2=O)s1 12202344 YECHFCDHKRRZIO-UHFFFAOYSA-N 357.395 1.333 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12325664 KUINXSULUYJMCN-GFCCVEGCSA-N 368.484 1.243 0 40 FDAB COC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14673914 IZZVOMANFLROFR-UHFFFAOYSA-N 361.803 1.454 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 14110809 KCZURWYLGZWPAL-UHFFFAOYSA-N 369.443 1.264 0 40 FDAB CCN1CCN(C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 19367240 CKQAFJIAMXHDJD-OAHLLOKOSA-N 372.465 1.659 0 40 FDAB Cc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C 9531895 DTNWMPMAHKKXKY-CYBMUJFWSA-N 366.414 1.601 0 40 FDAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)C2CC2)cc1 7021606 YIXPBRBJMOPSDH-UHFFFAOYSA-N 373.409 1.385 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cnccn5)C[C@H]4C3)n1)CCC2 1888868552 BSBQFADOTKVFEL-ZIAGYGMSSA-N 350.426 1.272 0 40 FDAB CCc1cc(N2CCN(c3ncnc4ncn(C)c34)CC2)nc(C2CC2)n1 1888899232 PAXWVXVIZAHDSY-UHFFFAOYSA-N 364.457 1.920 0 40 FDAB O=C(Cn1cnnn1)Nc1ccc(Br)cc1Br 27977568 PIEZLQPZVLXOCK-UHFFFAOYSA-N 360.997 1.837 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 36403756 VFOWITKAZFUKAL-GFCCVEGCSA-N 371.890 1.313 0 40 FDAB O=C(CC1(O)CCC1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565554124 KNFIBKQHYMIDIS-OKZBNKHCSA-N 360.454 1.909 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)c3csnn3)C2)C1 1565554742 YJWALIAMFBEJRB-MRXNPFEDSA-N 372.410 1.323 0 40 FDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1565546993 LJOPXFZYSZNKIP-APWZRJJASA-N 363.458 1.521 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565547744 NEMYHNBTCLDUOR-UHFFFAOYSA-N 367.409 1.540 0 40 FDAB Cn1c(=O)c2c(nc3n2CC(C24CC5CC(CC(C5)C2)C4)=NN3)n(C)c1=O 4284887 UOEJPIQWZUVVHV-UHFFFAOYSA-N 368.441 1.432 0 40 FDAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 5419067 UIPDXKSISZQPBY-UHFFFAOYSA-N 360.439 1.629 0 40 FDAB Cc1ccccc1CC(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772792 FJGDCFVKBDIPHM-UHFFFAOYSA-N 366.465 1.984 0 40 FDAB Cc1cc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)no1 2055713214 HCKLOQOQWJLLQU-UHFFFAOYSA-N 371.363 1.849 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2occc2C)CC1 2055782118 OVLKBLLHUALKAO-UHFFFAOYSA-N 360.414 1.179 0 40 FDAB CN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 22466245 JWEWFUZUNYLKDF-GOSISDBHSA-N 350.503 1.988 0 40 FDAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCCCN1CCOCC1 35592714 TXYTXAVJAFRQIX-UHFFFAOYSA-N 373.409 1.451 0 40 FDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 43941521 BWLOKIBPYORWEL-UHFFFAOYSA-N 361.446 1.356 0 40 FDAB O=C(c1ccccc1Br)N1CC(CN2C(=O)CCC2=O)C1 618255394 BXKKSYSTOLUKDI-UHFFFAOYSA-N 351.200 1.670 0 40 FDAB O=C(CN1Cc2ccccc2C1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19375538 HUAZASMIMIGCDI-OAHLLOKOSA-N 363.465 1.454 0 40 FDAB CN(C)CCCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 19582339 KFCBASITBHQWQU-KXBFYZLASA-N 364.490 1.159 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nnc(N)s2)cc1OC 3671875 XMKWJOPHWLPWGY-SECBINFHSA-N 368.484 1.977 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 35806794 FFQIKUBCTCLQFD-IFXJQAMLSA-N 367.449 1.531 0 40 FDAB biogenic CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 50727728 QQICLUPAEQMGGN-GFCCVEGCSA-N 353.463 1.807 0 40 FDAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)cc1 32357447 WNIBOACWBOYCDK-UHFFFAOYSA-N 354.454 1.872 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1 60391210 FMWQFXKZZBGZHV-INIZCTEOSA-N 357.454 1.675 0 40 FDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 32759462 YQJMYLYAEPTNCQ-UHFFFAOYSA-N 350.396 1.084 0 40 FDAB O=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1ccccc1 32760416 DWXWINFMWYHTCX-GOSISDBHSA-N 365.433 1.837 0 40 FDAB C[C@]1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)NC(=O)NC1=O 46406100 GTKREPXKDUISRR-MRXNPFEDSA-N 363.370 1.681 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)CCCNC(=O)c1ccc(C)cc1 41157224 GXBVVCZUELOAEC-OAHLLOKOSA-N 366.483 1.916 0 40 FDAB Cc1cnc([C@@H](C)NC(=O)N2CCN(CC(=O)NC3CC3)CC2)s1 79081534 IKAPVYDXSWBXSQ-GFCCVEGCSA-N 351.476 1.118 0 40 FDAB C[C@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)Nc1ccccc1OC(F)F 32936189 JUATYKYEXOSOFX-VIFPVBQESA-N 367.308 1.566 0 40 FDAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCN1CCCS1(=O)=O 71846701 DKIILKSPOBHICB-UHFFFAOYSA-N 351.255 1.688 0 40 FDAB CC1=NN(c2ccc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2)CC1 52823154 VRUBYYZJCOQUCI-HNNXBMFYSA-N 364.471 1.426 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)no1 8434688 ADCJJLDNBLAWCR-UHFFFAOYSA-N 364.155 1.980 0 40 FDAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 100355454 VBGOURWEMQKEQW-YOEHRIQHSA-N 368.320 1.961 0 40 FDAB CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 778580 WOOPNLVOMYIUKV-UHFFFAOYSA-N 373.438 1.184 0 40 FDAB NC(=O)CN1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 59403363 KVKZNOUOZWNLPI-UHFFFAOYSA-N 353.348 1.646 0 40 FDAB Cc1ccc2ncn(C[C@@H](O)COc3ccc4c(c3)OCO4)c(=O)c2c1 58160181 FXBYANTUWKKOIT-CYBMUJFWSA-N 354.362 1.874 0 40 FDAB CSCC[C@@H]1NC(=S)N(c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1=O 9607602 ZXGDSAUAWFYZQX-SCZZXKLOSA-N 351.453 1.749 0 40 FDAB O=C(NCCc1cc(=O)[nH]cn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 23429432 MIKPLRIFDTXKQK-NSHDSACASA-N 360.801 1.135 0 40 FDAB CN1CCN([C@@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1 101274057 KUQMPKCVTWTOGJ-CYBMUJFWSA-N 352.232 1.328 0 40 FDAB CN1CCc2nc(NC(=O)c3nn(C)c(=O)c4ccccc34)sc2C1 24152250 KYCALNGQDFIFLV-UHFFFAOYSA-N 355.423 1.630 0 40 FDAB O[C@H](COc1c(F)cc(Br)cc1F)CN1CCOCC1 20805975 DCGPNHKTVNEODB-JTQLQIEISA-N 352.175 1.799 0 40 FDAB CCCC[C@@]1(C)NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 24988435 SQKVNVZEGSJVMW-CWTRNNRKSA-N 373.409 1.144 0 40 FDAB O=C(C1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1)N1CCCC1 107095729 QIABVUFLTIGBJA-MRXNPFEDSA-N 359.474 1.277 0 40 FDAB CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)cc1 57531460 VHOABDVMCKTZQB-QGZVFWFLSA-N 372.494 1.955 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CN2CCN(C3CCCC3)CC2)cc1 27118991 YQMZBTVWPQWKMW-UHFFFAOYSA-N 358.486 1.887 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc2c(c1)OCO2 2053587 VLCUDUKHHKCKIW-UHFFFAOYSA-N 356.334 1.077 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(C(N)=O)cc1 58019594 AROWQRPGXJZQGE-LBPRGKRZSA-N 352.394 1.961 0 40 FDAB Cc1ccn2c(=O)c(C(=O)NCc3ccc(-n4cccn4)nc3)cnc2c1 58202621 YNKUVKUOEMWXLH-UHFFFAOYSA-N 360.377 1.514 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 58226713 KMJKJTUBVGFXRU-IBGZPJMESA-N 368.393 1.453 0 40 FDAB Cc1ccc(CNC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F 36437927 QUMYGQSNVNXLOW-KRWDZBQOSA-N 363.433 1.074 0 40 FDAB CCOc1ccc(NC(=O)[C@@H](C)n2ccnc2)cc1S(=O)(=O)N(C)C 45879021 FTPORNOOUQHLOL-GFCCVEGCSA-N 366.443 1.732 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)c(F)c1 13961538 NLPJSFDMIIFOSG-UHFFFAOYSA-N 350.325 1.423 0 40 FDAB Cn1cc(-c2ncc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)s2)cn1 66376565 MAZYPVSWAWOSHY-CYBMUJFWSA-N 373.482 1.922 0 40 FDAB Cc1ccccc1CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858487 RRCZRMDWNOROFO-UHFFFAOYSA-N 358.419 1.992 0 40 FDAB COc1ccnc(C(=O)N[C@@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002942 BFODICQPYUKWAA-CQSZACIVSA-N 357.414 1.182 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1C(=O)NC1CC1 16015292 ZMUCLZCMVYLOCS-UHFFFAOYSA-N 362.389 1.997 0 40 FDAB C[C@H](c1ccccn1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005403 YSPLGWHIJBKPSS-CYBMUJFWSA-N 351.472 1.805 0 40 FDAB CCOCCOc1ccc(S(=O)(=O)NC2(C(N)=O)CCCCC2)cc1 72313031 MANMITRLXCPSGR-UHFFFAOYSA-N 370.471 1.568 0 40 FDAB COC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 72304525 QMRJGEIUMMJPRW-MGPUTAFESA-N 356.422 1.706 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2[nH]ccc2c1 72403328 RCZZQCCQFWWACS-UHFFFAOYSA-N 355.375 1.951 0 40 FDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccnc1 95951324 ZLBMZJQFXZNDNE-LBPRGKRZSA-N 357.432 1.436 0 40 FDAB CN1C(=O)CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)c2ccccc21 551538844 SAROUXHQSXDJLA-CYBMUJFWSA-N 362.451 1.601 0 40 FDAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)c1 306125839 DDMGPWPVCWSXCW-GOSISDBHSA-N 372.465 1.865 0 40 FDAB Cc1cccc(C)c1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1C 32508625 KSNLCWZEHRXQGD-QWHCGFSZSA-N 367.496 1.442 0 40 FDAB COC(=O)c1nc(NC(=O)Cn2cnnn2)sc1CCc1ccccc1 524733110 VEJUAYOGUBUOJI-UHFFFAOYSA-N 372.410 1.340 0 40 FDAB COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)c1 35290781 NCZSGFDFHKEWJH-KRWDZBQOSA-N 374.489 1.782 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2)s1 225572456 DEYCLDYFIQFABW-SNVBAGLBSA-N 370.456 1.632 0 40 FDAB O=S(=O)(NC[C@H]1Cc2ccccc2CO1)c1ccc2c(c1)OCCO2 225786809 ORXWJAYRPQVUQY-OAHLLOKOSA-N 361.419 1.878 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1cccnc1)CCN(C(=O)C(C)C)C2 97952791 GEPUCHWJSJVZSX-HXUWFJFHSA-N 358.486 1.620 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccs1)C2 96056967 BORAWNDDFRWHJN-QAPCUYQASA-N 366.483 1.864 0 40 FDAB COc1ccc(CCC(=O)NCCn2c(C)nc3ncccc3c2=O)cc1 95475114 MRQSLUYQVLBWGI-UHFFFAOYSA-N 366.421 1.858 0 40 FDAB biogenic CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)N1CCOCC1)CC2 96199992 XUPFGTACNSHQPV-INIZCTEOSA-N 358.442 1.314 0 40 FDAB CCN1C[C@@H](COC)[C@]2(CCN(S(=O)(=O)c3ccccc3C)C2)C1 96219843 CRDLSEHSHUHNDV-FUHWJXTLSA-N 352.500 1.974 0 40 FDAB COc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)cc1 97952749 SHXGFACTWJZMQY-OAQYLSRUSA-N 373.497 1.844 0 40 FDAB COC(=O)c1c(N(C)C(=O)[C@@]2(C)Oc3ccccc3NC2=O)c(C)nn1C 95116722 GOWJFUYWOHFGSO-SFHVURJKSA-N 372.381 1.268 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 580898552 OCURKXYTYZUSOT-IAGOWNOFSA-N 367.467 1.878 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)Cc1cccs1)CC2 96254800 LSKARANFZRFJAF-UHFFFAOYSA-N 372.494 1.853 0 40 FDAB Cc1ccnc(OC[C@H]2CN(CC3CCOCC3)Cc3cncn3C2)n1 96220429 YLINTDCPFWWOFK-KRWDZBQOSA-N 357.458 1.919 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229708 DNSNXLOPBIXZMA-XTDOFWJNSA-N 360.410 1.282 0 40 FDAB CC(C)c1nnc(CCC(=O)N2CCOC[C@H](Cc3ccncn3)C2)o1 257251818 JSJFUYIZEXOWNT-CQSZACIVSA-N 359.430 1.633 0 40 FDAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3cnnn3C)CC2)cc1 271034112 JKOWZFOBEHHRCX-UHFFFAOYSA-N 363.487 1.274 0 40 FDAB CCN1CCO[C@@H](CNCc2cnc(C3CC3)nc2)[C@@H]1c1cncn1C 1775959379 RPPHZNVJQHITIG-ROUUACIJSA-N 356.474 1.639 0 40 FDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc4n(n3)CCCO4)nc21 90626755 ZHCFWIFBRCUCKS-VIFPVBQESA-N 362.411 1.967 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)N2CCc3cccc(F)c32)cn1 630674202 YTEPPLPEJUNMPT-GJZGRUSLSA-N 358.373 1.571 0 40 FDAB CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cn(CC2(C)COC2)nn1 648015154 HLKQAEJOTRFCIQ-MRXNPFEDSA-N 369.469 1.838 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cncc(C3CC3)c2)cc1C(N)=O 575620578 OPRRKPKTMYUOEM-UHFFFAOYSA-N 361.423 1.545 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NCC[C@@]1(O)CCOC1 650700604 QEAOUAGDOWWUSS-MRXNPFEDSA-N 357.428 1.328 0 40 FDAB COc1ccc(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)cc1F 575414698 WAIUADUEOOBSBC-LBPRGKRZSA-N 356.361 1.281 0 40 FDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)Cc3c(C)nn(C)c3C)C2)cc1 585271483 GXKFCEGXFNOLTK-FQEVSTJZSA-N 357.454 1.930 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585103790 JXBPTKGFBDNAQR-OALUTQOASA-N 373.497 1.479 0 40 FDAB Cc1cc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)no1 77154413 GESDVLYRQXBVIW-UHFFFAOYSA-N 360.418 1.031 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157511 KJBWUDKWSHBVNO-LJQANCHMSA-N 372.400 1.597 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](N(C)C(C)=O)CCO3)CC1 1615155080 NWFSEFZATDDBQU-SFHVURJKSA-N 351.491 1.489 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C4CCCC4)C[C@@H]23)n1 1549162812 WIONTONTSQHTGQ-OAHLLOKOSA-N 371.441 1.197 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500805 DNSNXLOPBIXZMA-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB CN1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCCC2)CC1 19589695 WRTBFKVZOBSHGJ-UHFFFAOYSA-N 358.486 1.963 0 40 FDAB CN1CCN(C(=O)COc2ccc(F)cc2)C[C@@H](Cc2ccccn2)C1=O 19695571 GYFIPMFKZCBRBU-OAHLLOKOSA-N 371.412 1.759 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225504950 WDCJIAPHMLLHKU-CQSZACIVSA-N 359.430 1.760 0 40 FDAB COc1ccnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 1888873131 XXOVJZULJJMTML-UHFFFAOYSA-N 367.409 1.923 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O 32674823 MMZFHNPSWQVZAD-JXFKEZNVSA-N 370.453 1.098 0 40 FDAB C[C@]1(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)CC=CCC1 1565548726 IYAYTWGTHGAUNO-PMACEKPBSA-N 362.470 1.599 0 40 FDAB O=C(COc1ccc(F)cc1)NCc1nnnn1-c1ccc(F)c(F)c1 9570921 MZIIUHAUHVITBJ-UHFFFAOYSA-N 363.299 1.775 0 40 FDAB COc1cccc(NC(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)c1 11765207 BJOWVXHOSDXMGU-UHFFFAOYSA-N 373.413 1.857 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccn1C 11898947 SPOZINJANYZBJN-HNNXBMFYSA-N 350.369 1.661 0 40 FDAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)NCc1cccs1 11929880 TZIZOGBWAOQWRL-UHFFFAOYSA-N 374.466 1.611 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848271 ZPBADMXCDPOWPT-UHFFFAOYSA-N 366.352 1.782 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C2CC2)CC1 2055745565 KBAAJBFCTOJZAT-UHFFFAOYSA-N 352.460 1.089 0 40 FDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cnccn2)CC1 2055730112 BDVHSJCBADUIBY-UHFFFAOYSA-N 371.416 1.791 0 40 FDAB O=C(c1nc2ccccc2s1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965875 NFNALUSHSSJCMT-UHFFFAOYSA-N 357.370 1.714 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCN(C[C@@H](O)c2ccco2)CC1 27197387 VOFGGVQPAPJBKO-OAHLLOKOSA-N 354.403 1.459 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 2298180909 AYONBWASBBXGTF-IAGOWNOFSA-N 361.490 1.047 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)N1 25093664 QZEIUVGPFMUYMN-UHFFFAOYSA-N 373.800 1.544 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1 35807234 XYCMDFUIMUCXTH-QZTJIDSGSA-N 353.422 1.601 0 40 FDAB biogenic CN1CCN(c2ccc(CNC3=NS(=O)(=O)c4ccccc43)cn2)CC1 10465419 PLHMSKHIXMSUBE-UHFFFAOYSA-N 371.466 1.072 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 40005305 YJQZPOAOUNIOEC-QGZVFWFLSA-N 354.362 1.911 0 40 FDAB COc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc43)CC2)c1 20045410 XKJMTDFVCRGNJY-UHFFFAOYSA-N 365.433 2.000 0 40 FDAB C[C@H]1C(=O)N(CC(=O)NC[C@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 21269593 SOAKFBUCUXZIAB-SMDDNHRTSA-N 365.817 1.792 0 40 FDAB COC(=O)N1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 60345177 LOGDUDCYZBJIRQ-UHFFFAOYSA-N 369.462 1.934 0 40 FDAB CC[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)C 32824361 JDISDIUDZUVMSH-INIZCTEOSA-N 367.515 1.931 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cnn1C 2732369 LMLDAVGSEQIHQE-ZDUSSCGKSA-N 366.443 1.039 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 7070722 SEEPYKJGECTXGG-CQSZACIVSA-N 372.487 1.685 0 40 FDAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(N2CCOCC2)nc1 22995214 MJLJKGWHHHWRBD-UHFFFAOYSA-N 368.437 1.985 0 40 FDAB COCCCn1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 12428146 ZRTWKCIJXTXYDY-UHFFFAOYSA-N 357.410 1.751 0 40 FDAB CCCC[C@@]1(C)NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 24988430 SQKVNVZEGSJVMW-HXPMCKFVSA-N 373.409 1.144 0 40 FDAB CNC(=O)CN1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 25228537 YMNQPERCJYTLDX-UHFFFAOYSA-N 369.469 1.429 0 40 FDAB CN(CC(=O)NCCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 58169233 LLNPTYQZOWKZED-CQSZACIVSA-N 356.513 1.404 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@@H]4[C@H]5[C@H]([C@H]2[C@]34c2ccccc2)[C@H]15 104284647 UOEKMKGZFBVWBA-RVLXJEMCSA-N 355.397 1.970 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c1 58197667 DINLXRKAQMINPX-KRWDZBQOSA-N 358.419 1.751 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccncc1 44903236 MWNABTDHEVKKCS-UHFFFAOYSA-N 357.389 1.691 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1 3332113 QFPAUBMHZOKSGF-UHFFFAOYSA-N 366.370 1.993 0 40 FDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2cc(C)nc4ncnn24)C3)n1 306130018 IUAUGHYPMQCOPN-CQSZACIVSA-N 367.413 1.348 0 40 FDAB O=C(CCn1cnc2sccc2c1=O)NC(=O)NCc1ccccc1 11505657 GHTRXWYGSMQHLL-UHFFFAOYSA-N 356.407 1.874 0 40 FDAB O=C(NCc1ccnc(N2CCCC2)c1)C1CCN(C(=O)C2CC2)CC1 48361559 ZYTRTTPLVFQRLK-UHFFFAOYSA-N 356.470 1.947 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4ccccn34)CC2=O)cc1 12809821 PZNZUCVFBNHRNP-OAHLLOKOSA-N 363.421 1.750 0 40 FDAB CC(C)c1nnc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)s1 12984227 URJYYZZXOAVAPQ-UHFFFAOYSA-N 353.429 1.098 0 40 FDAB COCCCNC(=O)c1nc(Cc2cc(C(=O)OC)ccc2Cl)no1 49549916 ZKIRSEJQOWGFLW-UHFFFAOYSA-N 367.789 1.867 0 40 FDAB COc1ccc(NC2=NC(=O)[C@@H](CC(=O)NCc3ccccc3)N2)cc1 13727620 INNLPTOTJKORDJ-MRXNPFEDSA-N 352.394 1.668 0 40 FDAB COCCNC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N 6497794 GAFIULLZTXBYDX-UHFFFAOYSA-N 350.758 1.725 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)nc1 14160280 QSAIBVZRGWNUSB-CYBMUJFWSA-N 351.815 1.336 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccsc2)s1 14226359 HXCCOVUVQMEJMZ-UHFFFAOYSA-N 373.477 1.941 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)C1=O 6553669 FQLQDGGKAJXFKS-LJQANCHMSA-N 363.377 1.969 0 40 FDAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)NC1CCCC1 6542587 BMRHUSMDLUESAJ-SECBINFHSA-N 374.846 1.592 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)NCc1ccco1 4704302 TYSBRCKZAUEADH-QGZVFWFLSA-N 372.421 1.967 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)C2CCCCC2)C1=O 9153948 IREIDRZSJBXUQB-LJQANCHMSA-N 372.425 1.181 0 40 FDAB CCn1nc(C)c(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)c1C 96005455 OSDZQTWAUNUJPS-UHFFFAOYSA-N 368.503 1.340 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1Br 8160239 JJJJFQDCIMUZBQ-VIFPVBQESA-N 350.234 1.915 0 40 FDAB Cn1cnnc1SCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 8279882 RMHDBDKSOOTGOI-UHFFFAOYSA-N 366.468 1.502 0 40 FDAB NC(=O)c1nn(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 8368005 PIVPGXBPQXDDSM-BBRMVZONSA-N 368.437 1.677 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 8423920 CLZPFTOHYWXNLT-BLVKFPJESA-N 372.425 1.485 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 8422645 VDXNIOFMYOHONL-YPMHNXCESA-N 368.480 1.900 0 40 FDAB COCCN1C[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2OC)CC1=O 95390018 JFHOXNUBGJPQHC-IAGOWNOFSA-N 360.454 1.724 0 40 FDAB CC(C)C[C@H](NC(=O)NCc1cccnc1)c1nc(-c2nc[nH]n2)no1 95461012 QYVFAPDACFENHL-LBPRGKRZSA-N 356.390 1.836 0 40 FDAB Cc1ccc(C)c(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1 95469788 YHOLKNMESOJZJB-UHFFFAOYSA-N 372.513 1.872 0 40 FDAB CCOC(=O)[C@@H]1CCCC[C@H]1N(CC(=O)NC(C)C)CC(=O)NC(C)C 95457040 XNAAZMDVISVDLL-HZPDHXFCSA-N 369.506 1.460 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ncccn1)C2 306127343 FWIULMJDTBKWQO-AWEZNQCLSA-N 371.416 1.626 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CCCO1 408558056 IFMSWMWBELJCDZ-XJKSGUPXSA-N 362.451 1.802 0 40 FDAB COc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)nn1 511186060 PNQFRMGVCZZBNG-UHFFFAOYSA-N 358.789 1.896 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218247555 GQNPPNGUONNVQO-KBPBESRZSA-N 354.424 1.618 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(N)CN)cc1 218168835 PTPFNGVQICZZJF-SQNIBIBYSA-N 360.435 1.320 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 71285381 MKYZZRVNPHZZHL-ZIAGYGMSSA-N 366.439 1.694 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCc3c(F)ccc(F)c3C2)C1=O 84274598 RYMZGPXQNMMTJK-UHFFFAOYSA-N 351.353 1.524 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)NCc4ccco4)nnc23)n1 225749147 IYIXVOWGNKGNKZ-UHFFFAOYSA-N 353.342 1.680 0 40 FDAB O=C(c1cnn2cccnc12)N1CCC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96228388 VSRATAMYECEXIG-UZLBHIALSA-N 369.469 1.836 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96049568 NYRNEDUEEWGXFF-IBGZPJMESA-N 353.426 1.631 0 40 FDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)COc4ccccc4)CC[C@@H]23)o1 96206071 VNFSOIXQELSPHX-OIISXLGYSA-N 357.410 1.863 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1cccnc1)CCN(C(=O)N(C)C)C2 96036219 RLGAOHRNIKELHC-IBGZPJMESA-N 359.474 1.119 0 40 FDAB Cc1nnc(NC[C@H]2CO[C@@]3(COCCN(C(=O)CC4CC4)C3)C2)o1 96240595 DGINWGGAGCPUFZ-YOEHRIQHSA-N 350.419 1.224 0 40 FDAB C[C@H](C(=O)NCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 96345807 JLQDYNIXWOEWOR-LLVKDONJSA-N 354.337 1.809 0 40 FDAB O=C(C1CCOCC1)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247895740 ZXNJNCGZXISPDG-OAHLLOKOSA-N 361.442 1.680 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247830357 LDKBGEPQVFGVBF-HNNXBMFYSA-N 370.457 1.735 0 40 FDAB CNc1cnc(C[C@H]2CCCN(C(=O)C(C)(C)n3cncn3)CC2)cn1 257251267 JQBJCKALGPDLFA-AWEZNQCLSA-N 357.462 1.716 0 40 FDAB CCN1C(=O)N(CC(C)C)C[C@@]12CN(Cc1cscn1)CC[C@@H]2O 257232036 GJDUFOXPMHXZDI-DOTOQJQBSA-N 352.504 1.862 0 40 FDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCc2ccccn2)C1 253488375 AKDBGVWOIUGSNV-SFHVURJKSA-N 363.483 1.719 0 40 FDAB O=C(c1cccc([C@@H]2CCCN(Cc3c[nH]cn3)C2)n1)N1CCOCC1 257311535 UJYJRPGQRFCNMV-OAHLLOKOSA-N 355.442 1.657 0 40 FDAB O=C(CN1CCOCC1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 257333367 YBGOALXCSGAPFD-SFHVURJKSA-N 369.465 1.585 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)C2 624004733 RTDFMBUGYNWWQE-SWLSCSKDSA-N 367.471 1.438 0 40 FDAB Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 665140607 MXNIMINYZXXXRY-HUUCEWRRSA-N 356.430 1.027 0 40 FDAB Cc1noc(C)c1CSCC(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1 550160095 KRPJJBLGUYHGKE-NSHDSACASA-N 351.432 1.755 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC(F)(F)C1 675681160 WSLZTJRJAHKXIU-UWVGGRQHSA-N 350.362 1.797 0 40 FDAB CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 287717249 YIIMWOGQVRBJKO-UONOGXRCSA-N 357.432 1.108 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1 96098950 PRDIGACFYJOAKM-UHFFFAOYSA-N 360.443 1.274 0 40 FDAB CCCc1c(C(=O)NCCS(=O)(=O)NC(C)(C)C)[nH]c(C)c1C(C)=O 613618569 OMSSYUCGPJYDQI-UHFFFAOYSA-N 371.503 1.926 0 40 FDAB Cc1nc2ccnn2cc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C 619296217 HNACUPLCQLRCNT-SUMWQHHRSA-N 354.414 1.669 0 40 FDAB Cc1nc(-c2ccco2)sc1CNC(=O)CSc1nnnn1C 96119227 QXQXBNOKPRNTRF-UHFFFAOYSA-N 350.429 1.644 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c2ccccc21 572373535 AJPDPOPMYPAHMR-CRAIPNDOSA-N 368.481 1.899 0 40 FDAB O=C1CC[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)[C@@H](O)CC3=O 575449031 IBJQWUOEZZLWJA-YERPZDBWSA-N 352.342 1.973 0 40 FDAB in-vitro O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]12 585108445 LGBLXBJFURFREC-XHSDSOJGSA-N 370.384 1.270 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc2cccnc12 548532722 JSOXBGRAPBBHDZ-IUODEOHRSA-N 364.423 1.534 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 8109437 ONPPYRXBGCPMLM-WDZFZDKYSA-N 369.420 1.784 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 11866018 WJDGFJAUKBZEFZ-LBPRGKRZSA-N 350.378 1.985 0 40 FDAB COCC(=O)N1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1 12365790 UVTJVANNBNJJPN-MRXNPFEDSA-N 374.466 1.894 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)CC2)c1C 15746638 MQFAJDVHISGRMJ-MLHJIOFPSA-N 358.438 1.830 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)C2CCCCC2)c1 17969777 JKOLZFBQYCNWHZ-UHFFFAOYSA-N 361.442 1.789 0 40 FDAB COc1ccc(OC)c(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)c1 18063867 YTKZBUFYNBUYRY-AWEZNQCLSA-N 362.382 1.132 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 18084232 SHVXPUJRYQUSBF-UHFFFAOYSA-N 359.411 1.623 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)c2cccnc21 19021611 DWPVZCHFMOURHY-AWEZNQCLSA-N 357.458 1.929 0 40 FDAB CC(=O)NCC(=O)NC1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 19219161 HUHRZBYVNWDEMV-UHFFFAOYSA-N 359.426 1.051 0 40 FDAB CC(C)c1cc(C(=O)N2CCc3nc(C4CCNCC4)ncc3C2)[nH]n1 19451919 YQQDRCRBURMRSY-UHFFFAOYSA-N 354.458 1.989 0 40 FDAB CC(=O)N[C@@]12CCN(Cc3nc4ccccc4n3C)C[C@@H]1CN(C(C)=O)C2 19713090 OHDAKNJUSCVDIY-OXQOHEQNSA-N 369.469 1.132 0 40 FDAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)o1 19745811 HPNAVPJQINUAIF-ZDUSSCGKSA-N 358.464 1.072 0 40 FDAB CN1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2cccn2C)CC1 21154827 GSDKMCAILLZJSU-HNNXBMFYSA-N 368.528 1.354 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(Cl)s1 575615855 GYQLPUDIPSASIA-NSHDSACASA-N 362.904 1.783 0 40 FDAB CN1C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O 5601942 IXSJVZVBOBXDJP-UHFFFAOYSA-N 374.374 1.484 0 40 FDAB CCN=c1nc(N2CCN(c3ncnc4c3CCCC4)CC2)cc(C)[nH]1 1889101383 KTHZTOYXGUOCTG-UHFFFAOYSA-N 353.474 1.634 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(N2CCCC2)nc1 24044920 XSOKKNXAHSWYRB-UHFFFAOYSA-N 368.393 1.779 0 40 FDAB CNC(=O)CN1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 26976050 GEURLUJQLORYML-UHFFFAOYSA-N 353.488 1.101 0 40 FDAB O=C(NCCn1ccc(-c2cnccn2)n1)c1cnn(-c2ccccc2)n1 245171702 XQQRRQABTYAQHD-UHFFFAOYSA-N 360.381 1.351 0 40 FDAB C[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@]12CCN(c1cccnc1)C2=O 1614931298 NHBDUSQANKIPLQ-FZKQIMNGSA-N 373.844 1.833 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nccc(-c5cccnc5)n4)CC3)nn12 2087045373 PSQXTRKWAULZEZ-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cn1c(=O)c2c(SCC(=O)Nc3cccc(F)c3)ccnc2n(C)c1=O 10217026 WMFJFJHTUCSGLW-UHFFFAOYSA-N 374.397 1.502 0 40 FDAB O=C(c1ccccn1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055738766 OZEAMVSBRZZXPL-UHFFFAOYSA-N 371.466 1.904 0 40 FDAB O=C(COc1ccccc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772833 LBCJHGUKRUYTAX-UHFFFAOYSA-N 368.437 1.512 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCOCC2 2055796209 RNNIFVFGGNIBBW-HNNXBMFYSA-N 365.455 1.241 0 40 FDAB Cc1cc(N2C[C@H]3CN(C(=O)COCc4ccccc4)C[C@H]3C2)ncn1 1775975598 KDFSHCAFABHDGG-HDICACEKSA-N 352.438 1.896 0 40 FDAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)c2cccs2)CC1 26920456 XAXYGINEOJQZER-LBPRGKRZSA-N 358.510 1.850 0 40 FDAB O=C(Cc1ccc(Br)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 225701578 WDGHPBNDINVYKU-LBPRGKRZSA-N 367.199 1.571 0 40 FDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCF)CC2)cc1 390828466 BDQOQTBMGOASJX-UHFFFAOYSA-N 356.463 1.525 0 40 FDAB COCCc1nsc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298219170 BCTVREKPODEAAB-UHFFFAOYSA-N 360.443 1.818 0 40 FDAB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)O)cc2)cc1C(=O)O 11691663 PGEWQWXBAOQWCR-UHFFFAOYSA-N 352.320 1.859 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccccc1 100028415 PYYMIMFOGPAULZ-JKSUJKDBSA-N 367.340 1.758 0 40 FDAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CN(CCO)CCO 20266016 XOZDSWJCVPVJMA-OQLLNIDSSA-N 361.423 1.448 0 40 FDAB C[C@@H](CNC(=O)CN1CCC(C(N)=O)CC1)c1nc2ccccc2s1 50958407 CFGUZRYDZRAOPS-LBPRGKRZSA-N 360.483 1.713 0 40 FDAB c1cnc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cn1 20745463 CRTVAIZVXSQRTB-UHFFFAOYSA-N 354.351 1.951 0 40 FDAB CCCCNC(=O)Cn1c(=O)c2c(ncn2CCCC)n(CCC)c1=O 20988572 ILDDQWFUVOTDFN-UHFFFAOYSA-N 363.462 1.486 0 40 FDAB O=C(O)[C@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F 2028401 ZVOSPOWICGDQFC-QMMMGPOBSA-N 373.205 1.829 0 40 FDAB O=C(C1=CCCCO1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 78965332 DWIQXKCYOZZOAX-UHFFFAOYSA-N 368.430 1.789 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4503965 VLIXPVZDBZWYJY-HRCADAONSA-N 359.426 1.591 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 4787201 SYGWGHVTLUBCEM-MDRVBTNBSA-N 364.482 1.862 0 40 FDAB CCn1cc(CN2CCN(C(=O)c3nn(C)cc3Cl)CC2)c(C)n1 22266930 RBTDOAHDGGBTAV-UHFFFAOYSA-N 350.854 1.556 0 40 FDAB COc1ccc(CCNC(=O)c2sc(NS(C)(=O)=O)nc2C)cc1 12324113 QPFDLQCTNJPSSH-UHFFFAOYSA-N 369.468 1.804 0 40 FDAB Cc1nc(Cc2ccccc2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 12391383 FASVQOFUYJPBEH-UHFFFAOYSA-N 365.418 1.786 0 40 FDAB CC(C)(O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298348 PWDMLAUPZUYCJM-OIISXLGYSA-N 369.469 1.855 0 40 FDAB biogenic,in-vitro Cc1noc(C)c1COc1ccccc1C(=O)NCCS(C)(=O)=O 42125697 FNGYIKQPLRJPRG-UHFFFAOYSA-N 352.412 1.645 0 40 FDAB CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 47718241 DYXNKXINTJIQMN-CYBMUJFWSA-N 371.359 1.306 0 40 FDAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccn2)CC1 24014250 SFXFIZCSSUBFFD-INIZCTEOSA-N 367.453 1.618 0 40 FDAB O=C1NC[C@H](COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)O1 24752931 GHQWWZZGTWYDOY-CYBMUJFWSA-N 368.411 1.126 0 40 FDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 24806768 XKCNEEZKNOQEQX-HNNXBMFYSA-N 367.409 1.337 0 40 FDAB Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccc(F)cc12 35325089 UGAQKOIPEZJUOJ-UHFFFAOYSA-N 359.401 1.917 0 40 FDAB CNc1cc(N2CCC[C@@H]2CNCc2ccc(-n3cncn3)cc2)ncn1 109070038 WDNQAJRHOYUFMJ-QGZVFWFLSA-N 364.457 1.858 0 40 FDAB N[C@@H]1CCN(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)C1 97019384 LLYJJYUPPQQERX-SNVBAGLBSA-N 360.464 1.746 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58290975 LORDHHBKOXLAMY-GVDBMIGSSA-N 369.421 1.556 0 40 FDAB CN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 36357739 UHTZGXLYCGPSHI-UHFFFAOYSA-N 371.363 1.599 0 40 FDAB Cc1ccc(OCCCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 36383685 SWXRIKCFPTYLGM-UHFFFAOYSA-N 373.497 1.921 0 40 FDAB COC(=O)[C@H]1CN(C(=O)CSc2cccc[n+]2[O-])c2ccccc2O1 10951324 FHPCHLWHFXDKBY-CQSZACIVSA-N 360.391 1.379 0 40 FDAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCC(=O)NC(C)(C)C 22075862 SQSHLGVNDNAQLV-CQSZACIVSA-N 367.490 1.049 0 40 FDAB Cc1ccc(C)c(OC[C@@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 12918230 XIIBMURNHHEOAC-INIZCTEOSA-N 367.409 1.496 0 40 FDAB COC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@@H]1c1ccc(C)cc1 5018474 FMUPSSANPNVINQ-CYBMUJFWSA-N 374.426 1.092 0 40 FDAB CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCCC1=O)C(F)(F)F 4315856 YQRHOYCMBWOFHL-HNNXBMFYSA-N 358.316 1.861 0 40 FDAB O=C(CN1CCCc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O 6551889 BQILKTVJOKSJPH-UHFFFAOYSA-N 356.426 1.725 0 40 FDAB C[C@@H](NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccco1 19352657 KSBCMYZVFAGWJD-SECBINFHSA-N 370.358 1.100 0 40 FDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7686134 FBGNHKJPEFBVAL-AWEZNQCLSA-N 354.428 1.437 0 40 FDAB CC[C@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365068 UNFIDFDYJAICAL-DJJJIMSYSA-N 374.441 1.571 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2nn(CC)c(=O)c3ccccc23)CC1 8324107 DJZOLAFPJZIBTH-UHFFFAOYSA-N 357.410 1.832 0 40 FDAB CC(C)NC(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95397710 SDYBVIAJDOQCEY-SFHVURJKSA-N 358.486 1.324 0 40 FDAB COC(=O)[C@@H](O)CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 95448397 FFVCBEZUZVZRDN-HNNXBMFYSA-N 360.341 1.342 0 40 FDAB NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 89768081 KQQLTDGIGUTAED-SSDOTTSWSA-N 359.256 1.045 0 40 FDAB CNc1snc(C)c1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 21133568 ZPYWBTVQQOSFJI-UHFFFAOYSA-N 372.458 1.132 0 40 FDAB O=C(CNC(=O)c1ccccc1Br)NCCCn1cccn1 30169427 KXZXMICKOXMXHU-UHFFFAOYSA-N 365.231 1.582 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1cccs1 77264263 UWGHNTXBILKNOR-FMKPAKJESA-N 350.415 1.535 0 40 FDAB biogenic,in-vitro CCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)OC)CC3=O)cc2)CC1 72228516 KYBVQSLSJVPBRJ-CQSZACIVSA-N 359.426 1.271 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(N(C)C)cc1 71980244 VYDIAYPOJSBQOX-INIZCTEOSA-N 361.442 1.490 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3cc(C)no3)CC(=O)N1CC2 72342223 KRHYCWRTOWGKIE-AWEZNQCLSA-N 371.393 1.582 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 32771091 LULNZOBPOAPEGR-UHFFFAOYSA-N 355.847 1.975 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)c2ncc(C)s2)CC1 182910624 HEZLHCRJKHWLML-NSHDSACASA-N 374.532 1.668 0 40 FDAB CN1CCN(C(=O)c2ccc(CNc3nc4ccccc4n3C)cc2)CC1 562233081 JHNSXUXFQUFXKQ-UHFFFAOYSA-N 363.465 2.573 0 40 FDAB O=C(NCc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1 78984129 USNQRWINDROTAY-UHFFFAOYSA-N 359.411 1.656 0 40 FDAB O=S(=O)(Cc1cccc(F)c1)NC[C@@H](c1ccco1)N1CCOCC1 49489959 MGXFISXIPKAIEK-INIZCTEOSA-N 368.430 1.912 0 40 FDAB Cc1noc([C@H]2CCN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)C2)n1 329087361 VBUONVJQPQIEPW-WMLDXEAASA-N 374.416 1.907 0 40 FDAB Cc1nc(N2CCN(C(=O)c3cccnc3O)CC2)cc(C(F)(F)F)n1 225734154 DFRDGVZQZJNNNW-UHFFFAOYSA-N 367.331 1.867 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1 49960983 NHZNUVUSVKKOLG-UHFFFAOYSA-N 358.379 1.668 0 40 FDAB CC(C)n1cc(C2=CCCN(C(=O)CSc3n[nH]c(O)n3)CC2)nn1 570060314 STJIGCWWHXEPOB-UHFFFAOYSA-N 363.447 1.481 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)Cn1cc(OC)c(=O)cc1C)CC2 96114361 RKGQSTLKLJUDIG-UHFFFAOYSA-N 372.421 1.767 0 40 FDAB biogenic Cc1nn(C)c(C)c1CNC(=O)c1ccc(OCc2nnnn2C)cc1 96101287 PZVYNAYZCFAMJG-UHFFFAOYSA-N 355.402 1.069 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@H](Oc1ncccc1F)CO2 96107055 VVWYCXFTLLHAKA-ZDUSSCGKSA-N 358.373 1.853 0 40 FDAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1 96144906 LWUDUKOWPKWWCY-MRXNPFEDSA-N 374.485 1.768 0 40 FDAB COCC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C 96143248 RXZZBZNVJRTGGS-SFHVURJKSA-N 366.483 1.811 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccoc1)CC2 247917637 ZPWASFVGXCDPNH-AWEZNQCLSA-N 356.444 1.040 0 40 FDAB COCCN(C)S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1 585083750 FVKRMCHTZGSIEB-UHFFFAOYSA-N 361.895 1.593 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(c4ncccn4)C3)ccnc12 257342296 ZOAYEJDQLXIQST-CYBMUJFWSA-N 351.414 1.605 0 40 FDAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NCCN1CCOCC1 253402758 OQHRUSHEOITDDU-LBPRGKRZSA-N 363.389 1.596 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC(Cc3cncc(-c4cncn4C)n3)CC2)cn1 257334310 YFJVUGCDHLQWTK-UHFFFAOYSA-N 365.441 1.706 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH]1 257317437 VJTCRMKNFKRIBX-OAHLLOKOSA-N 356.426 1.831 0 40 FDAB CNS(=O)(=O)C1CCN(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)CC1 288460234 SKRPAOUWYGCTLW-IAQYHMDHSA-N 353.444 1.232 0 40 FDAB CN1C[C@@H](NC(=O)COC/C=C/c2ccccc2)[C@H](c2cncn2C)C1 1775959965 KFCWGKPMYKDDFT-OKMWKSJFSA-N 354.454 1.664 0 40 FDAB CN1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)C[C@]12CCOC2 1615592620 UPOMFIRLPIRAOY-IBGZPJMESA-N 355.442 1.488 0 40 FDAB NC(=O)c1cn(CCCCNS(=O)(=O)c2cccc3ccccc23)nn1 1191255520 LIWAKBTXJSBCNO-UHFFFAOYSA-N 373.438 1.289 0 40 FDAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)OC 96385190 XQIWUAOKJHLDRF-KRWDZBQOSA-N 372.377 1.866 0 40 FDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccc(C)cc1 575422215 TXDPSJXKQTYUDE-CHWSQXEVSA-N 371.484 1.193 0 40 FDAB CN1C[C@H](COCc2ccncc2)CC12CN(C(=O)c1ccnn1C)C2 585093765 DVUABBGNBAEOCR-MRXNPFEDSA-N 355.442 1.178 0 40 FDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(CC1CCCC1)C2 585103567 PSKPRIKVXHBQNP-HNNXBMFYSA-N 351.472 1.535 0 40 FDAB Cc1cc(-c2cncc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n[nH]1 585180183 SVJGKQWKRANOLY-LBPRGKRZSA-N 350.448 1.161 0 40 FDAB CNC(=O)C[C@]1(COC)CN(C(=O)c2cccc(F)c2Cl)CCO1 585279013 RWGSPWXMLXRMFR-MRXNPFEDSA-N 358.797 1.473 0 40 FDAB O=C(Cn1cc(-n2cccc2)cn1)N1CCC(C(=O)N2CCCC2)CC1 683696756 UXBFMRVCGSFAOA-UHFFFAOYSA-N 355.442 1.535 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1 888107232 WXSWSEHYDXIPFS-UHFFFAOYSA-N 372.443 1.465 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 5004984 LDWQEXOLYJCELF-NSHDSACASA-N 370.456 1.787 0 40 FDAB aggregator CCCn1c(SCCCSc2n[nH]c(=O)n2CCC)n[nH]c1=O 12994671 RTVWQMWNJAHWDI-UHFFFAOYSA-N 358.493 1.551 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccccn4)[C@H]3C2)cc1 19211867 LEATXMWAWBYLMS-HFTRVMKXSA-N 371.462 1.829 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CCO[C@@H](C(=O)N2CCCCC2)C1 19747391 MLUKXFJAEMYCBB-OAHLLOKOSA-N 360.439 1.545 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780841 FNPKOVFEEBPUDN-LBPRGKRZSA-N 362.817 1.595 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1259487097 WVKAJNUAFXWWDW-KBPBESRZSA-N 362.430 1.681 0 40 FDAB OCC[C@H]1CN2CCC[C@H]2CN1[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 2037963993 KDMMILWPQBAZCK-SQEGATDGSA-N 360.498 1.878 0 40 FDAB Cn1cccc(C(=O)N2C[C@@H]3c4cnc(N5CCCC5)nc4C[C@H]3C2)c1=O 1565544939 VIEQBLPURLWISJ-BBRMVZONSA-N 365.437 1.187 0 40 FDAB Cc1ccccc1-c1nc(SCC(=O)O)c2c(=O)n(C)c(=O)n(C)c2n1 4341315 HEBVGZFHXOTXHJ-UHFFFAOYSA-N 372.406 1.179 0 40 FDAB Cc1ccc(-c2nc3scc(CCNS(=O)(=O)N(C)C)n3n2)cc1 4479877 OSXPDZMAOZTEDU-UHFFFAOYSA-N 365.484 1.705 0 40 FDAB Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(Cl)cc3)nn12 13846134 RSIWUBSQTCIQCC-UHFFFAOYSA-N 367.818 1.443 0 40 FDAB Cc1cncc(C(=O)N2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)c1 2055745944 UCAZTCXSCPNMAU-UHFFFAOYSA-N 370.457 1.299 0 40 FDAB CCc1ccc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)cn1 2055793336 QLBOKVKQSXRGQU-VQIMIIECSA-N 374.441 1.202 0 40 FDAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)NC1CCCC1 22766456 UXMUSTKVHDAPOR-HNNXBMFYSA-N 351.472 1.296 0 40 FDAB O=C(NCc1ccc(Cl)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966308 XHIGWOQDLLFMFO-UHFFFAOYSA-N 363.780 1.828 0 40 FDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC1CCCC1 23107183 BRSXXHAEHWLMPM-KRWDZBQOSA-N 363.433 1.374 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@H]4CCCO4)cc1c32 101078898 VBLUJQMKVNITBV-SMDDNHRTSA-N 357.410 1.317 0 40 FDAB CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2)no1 44094463 ZNNVZZRXKWDEBR-AWEZNQCLSA-N 357.414 1.522 0 40 FDAB COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 23115333 WHBJWARIXYXJQX-UHFFFAOYSA-N 361.377 1.059 0 40 FDAB NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 25270771 ZGQLBHXCTMKSLK-HNNXBMFYSA-N 366.826 1.607 0 40 FDAB COc1ccc(OC)c(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c1 31791098 CUQVNXYCCMJZLX-UHFFFAOYSA-N 374.784 1.983 0 40 FDAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(CC(=O)N(C)C)CC1 20738073 ZKXAAELBIPOUMA-GOSISDBHSA-N 358.442 1.308 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2Cl)CC1 32511403 PYVDQCZMQHEBNW-LBPRGKRZSA-N 366.849 1.332 0 40 FDAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 2643524 ASFSQLHDGKCMSJ-ZDUSSCGKSA-N 363.723 1.786 0 40 FDAB CCCCC(=O)OCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 3255586 NVTJNNZDRWCTAN-UHFFFAOYSA-N 351.355 1.932 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 3875872 NONJJLVGHLVQQM-ADGXKJENSA-N 364.423 1.086 0 40 FDAB world CCOCCCNC(=O)CN1CCC(O)(c2ccc(OC)cc2)CC1 4967671 HBUQBEVNSQFQPU-UHFFFAOYSA-N 350.459 1.521 0 40 FDAB CC(C)NC(=O)CN1CCCN(C(=O)CCc2cc(F)ccc2F)CC1 52985733 PPCHVSLYPJQNSB-UHFFFAOYSA-N 367.440 1.956 0 40 FDAB COC(=O)C1CCN([C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 103292779 PAUOQMLMQNQOSZ-QGZVFWFLSA-N 374.437 1.250 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 24602381 YZBCXSGZORWAHW-HZPDHXFCSA-N 357.414 1.259 0 40 FDAB COc1ccc2cnn(CC(=O)NCCCOC(C)C)c(=O)c2c1OC 61720101 ALBMSFSEPCVPFZ-UHFFFAOYSA-N 363.414 1.345 0 40 FDAB O=C1CN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CCN1 61718251 VMACXXWJZMPDHH-UHFFFAOYSA-N 365.459 1.263 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1C1OCCO1 106638536 CAJHXQJCUYDAIJ-ZNMIVQPWSA-N 364.442 1.306 0 40 FDAB C[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)N1CCCCC1 57227055 HOOFBXGETHUKCZ-GFCCVEGCSA-N 365.865 1.861 0 40 FDAB CN(C(=O)CN1CCCc2cc(F)cc(F)c21)[C@@H]1CCS(=O)(=O)C1 26726187 JQINEMFTDKCWBS-CYBMUJFWSA-N 358.410 1.363 0 40 FDAB C[C@@H]1CCCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134226 YUSMKLZNPNPDHV-GFCCVEGCSA-N 360.439 1.631 0 40 FDAB O=C(NCCN1CCc2ccccc21)[C@H]1CCCN(c2ncccn2)C1 58171487 HMOAYYRJEGLFGK-KRWDZBQOSA-N 351.454 1.872 0 40 FDAB Cc1c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)oc2c1C(=O)CCC2 56868195 BMETYYQTXDEWFW-LBPRGKRZSA-N 368.455 1.651 0 40 FDAB CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1F 58162398 UKNGYRRBGVUPEZ-UHFFFAOYSA-N 352.387 1.776 0 40 FDAB CC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2112727 TWMYLEWXZNZDAE-LLVKDONJSA-N 353.758 1.982 0 40 FDAB biogenic O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1 2211371 PNUYOVOKTRHKTH-ZROIWOOFSA-N 355.350 1.382 0 40 FDAB CC[C@@H](C)N(C)C(=O)c1nnc2n1C1(CC2)CCN(CCN(C)C)CC1 306134907 OBEMZXKDGQGWHW-OAHLLOKOSA-N 362.522 1.448 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H](c1ccccc1)N1CCOCC1 29303173 XEIKTLOVAPFGKV-SFHVURJKSA-N 351.406 1.763 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 12869192 VIIWGDRWIBBXBU-UHFFFAOYSA-N 353.419 1.851 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12849358 VICGEMXTUYVSGR-UHFFFAOYSA-N 351.453 1.857 0 40 FDAB Cn1cccc1C(=O)NCCNC(=O)CCc1nc(-c2ccco2)no1 12823763 QCPDIULPTILALX-UHFFFAOYSA-N 357.370 1.147 0 40 FDAB Cc1nn(-c2ccccc2)nc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O 8726565 LLUGLQASIMFAAM-UHFFFAOYSA-N 368.397 1.475 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)noc1C 65099983 VIBQAXZBJLHNBT-AWEZNQCLSA-N 350.396 1.580 0 40 FDAB CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 110509561 HMPWQBQXHZINPD-OAHLLOKOSA-N 368.499 1.977 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C)CC2)cc1 14073015 AAHNXYQKEAYPFE-UHFFFAOYSA-N 362.455 1.184 0 40 FDAB C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 65567068 UERSXIKCSSFIEC-LJQANCHMSA-N 372.425 1.001 0 40 FDAB O=C1COc2ccc(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2N1 8705311 SYAHVCDGRCFTAI-UHFFFAOYSA-N 371.437 1.882 0 40 FDAB CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2ccccc21 4545106 UCUBESDGMJFTCA-IBGZPJMESA-N 357.362 1.958 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2c[nH]c3ccccc23)NC(=O)N[C@H]1C 5400701 ZILXXHBYMCBJGN-NSHDSACASA-N 371.393 1.772 0 40 FDAB COc1cccc(CNC(=O)c2nnn(Cc3ccc(F)cc3)c2N)c1 4852337 XQOVCCAENBOSAM-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB O=c1[nH]ncc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1Cl 15116233 PBSCQCLFBFACOF-UHFFFAOYSA-N 368.846 1.075 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)CC(O)=N2 8994485 NFEBRJAHXMVPSU-JTQLQIEISA-N 362.773 1.451 0 40 FDAB CC(=O)N1CCC(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 80070228 PTLFBWUMUYSSMA-LJQANCHMSA-N 371.481 1.861 0 40 FDAB Cc1ccnc2nc(C(=O)NCC3CCN(c4ccncc4)CC3)nn12 93064251 GWLPKAHULZVZEF-UHFFFAOYSA-N 351.414 1.474 0 40 FDAB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 15716597 ZNEJMAIJBNPFQU-UHFFFAOYSA-N 372.446 1.910 0 40 FDAB Cc1cc(C(=O)NCCN2CCOCC2)c2cnn(C3CCCC3)c2n1 71288680 MLXONOPLZDJTIK-UHFFFAOYSA-N 357.458 1.917 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1 7735463 QJXTZKCWIJRXOZ-UHFFFAOYSA-N 362.213 1.352 0 40 FDAB COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 72304524 QMRJGEIUMMJPRW-QRWLVFNGSA-N 356.422 1.706 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23702848 MLUVIZZFOPUBQD-GOSISDBHSA-N 357.410 1.776 0 40 FDAB CCc1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)cc1 95439427 CDMPLCMATOUFGH-IBGZPJMESA-N 369.425 1.778 0 40 FDAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)O)c1 95940677 LHRZYXZQEHMBFC-UHFFFAOYSA-N 362.835 1.493 0 40 FDAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 29645736 LCPGYOWCGKODNR-UHFFFAOYSA-N 364.379 1.382 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 408610819 WAJISHMRRFFZOU-TZMCWYRMSA-N 356.444 1.047 0 40 FDAB COc1ccc(CN2CCO[C@]3(CNC[C@H]3c3cccnc3)C2=O)cc1 306135192 OKJWMAPBQTUWHZ-ICSRJNTNSA-N 353.422 1.575 0 40 FDAB O=C(O)[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1cccs1 547546274 DPZAOTPOEXIGMU-JOYOIKCWSA-N 357.413 1.010 0 40 FDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)COC2)Cc1ccccn1 548527976 QPXYAAORCGFQRJ-CYBMUJFWSA-N 362.407 1.334 0 40 FDAB COC[C@@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218196250 FGCLEQCOCZDXJJ-NTZNESFSSA-N 363.229 1.677 0 40 FDAB O=C(CNCCCN1CCOCC1)Nc1ccc(N2CCCCC2)cc1 35311432 BDXRYOYCMODNGW-UHFFFAOYSA-N 360.502 1.927 0 40 FDAB CC(C)c1nnc(CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)s1 530105413 IGFLRPFDMJELRD-UHFFFAOYSA-N 366.443 1.769 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)COC)ccc1OC 36684150 AOUFDWROUCIRTL-GFCCVEGCSA-N 358.460 1.490 0 40 FDAB O=C(c1cccs1)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335787 ZVLJYTPWHKLKPS-UHFFFAOYSA-N 355.423 1.968 0 40 FDAB CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 72241389 QNZGJXRKTJYSRQ-JKSUJKDBSA-N 351.834 1.012 0 40 FDAB CCOc1ccccc1CNS(=O)(=O)c1nnc(NC(C)=O)s1 222668592 NGTAGGIXQBQVAG-UHFFFAOYSA-N 356.429 1.374 0 40 FDAB COc1nccnc1O[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 225492171 MIIBBTDAWQYMIF-CQSZACIVSA-N 367.409 1.905 0 40 FDAB COc1ccc(C)nc1NC(=O)NC(c1nccn1C)c1nccn1C 529061220 GHNGWAHPVSBGSC-UHFFFAOYSA-N 355.402 1.777 0 40 FDAB COc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 44846688 JDNHAOHLDHMHRN-GFCCVEGCSA-N 374.418 1.717 0 40 FDAB CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 583621989 FRVFYDBVVWQUBI-STQMWFEESA-N 353.471 1.584 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12 96057195 FRHDPZMVKPOMLN-NUJGCVRESA-N 350.434 1.673 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)c1cnccn1)CC2)c1cnccn1 96051521 YJTYPPDKPJXYTH-HNNXBMFYSA-N 352.398 1.081 0 40 FDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NCC(C)C)C[C@@H]32)N=C1C 96261530 RNPGXGNWWVZVPP-RVKKMQEKSA-N 350.463 1.340 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1ccccn1)CN(C1CCOCC1)C2 248023797 IUHPZBMMCHUDJY-INIZCTEOSA-N 355.442 1.210 0 40 FDAB O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1cccs1 245053582 PBJCNXJHEPPGKP-UHFFFAOYSA-N 356.448 1.872 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230302 OWDXQNUTULMXQF-XTDOFWJNSA-N 360.410 1.370 0 40 FDAB Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(N3C[C@H](C)O[C@@H](C)C3)nc1)CC2 245382071 GVWSUBMJBLRZII-HEHGZKQESA-N 370.457 1.340 0 40 FDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 257248100 JCCNYTFOVCHUNW-PFRQMTDMSA-N 372.469 1.251 0 40 FDAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)CN3CCOCC3)CC2)C1 257328268 XEXGSQFGWRLAPU-LJQANCHMSA-N 373.497 1.605 0 40 FDAB COCC(=O)N1CC[C@H](Cc2nccnc2-c2ccccc2C(=O)O)C1 257330463 XOODXRFIWHIDDN-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)s1 257242249 IBRBFZQFMDWVOQ-SNVBAGLBSA-N 355.441 1.397 0 40 FDAB O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)Nc1nccs1 85436942 CRXZKGNNRCALJV-LBPRGKRZSA-N 352.485 1.494 0 40 FDAB CN(Cc1cnccn1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 273642972 FHXCHQFEOGXFRK-UHFFFAOYSA-N 361.423 1.874 0 40 FDAB C[C@H](NC(=O)c1cccc(-n2ccnc2O)c1)C(=O)NCc1ccco1 1626298198 JCWTURVRVXQYEX-LBPRGKRZSA-N 354.366 1.606 0 40 FDAB CCn1ncc(Cl)c1C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 621539599 RZRDMRDKFQJAPQ-UHFFFAOYSA-N 352.782 1.323 0 40 FDAB Cc1noc([C@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@@H](C)O2)n1 628856823 KDQWPLFGVRGWMG-MEBBXXQBSA-N 356.382 1.865 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1 629895862 XRYZGTRMWPDYGL-CVEARBPZSA-N 365.499 1.301 0 40 FDAB Cc1nn2cccnc2c1S(=O)(=O)N1CCN(c2ccncc2)[C@H](C)C1 1665797310 UHLYTCJDRBOOSF-CYBMUJFWSA-N 372.454 1.332 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCO1 681943921 PZCPPZGQTQAJJC-FUHWJXTLSA-N 374.437 1.267 0 40 FDAB COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)cn2)CC1 291343321 ROXGEFCWQNQAMQ-UHFFFAOYSA-N 369.487 1.329 0 40 FDAB Cc1nc(Nc2cc(C)[nH]n2)cc([C@H]2CCCN2C(=O)/C=C/CN(C)C)n1 585291758 FQUXMTCOKZIEOA-IQIBNGDESA-N 369.473 2.341 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1F 57004290 AGQHFNQBYGMASB-ZWKOTPCHSA-N 371.412 1.821 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)no1 51282167 WRTZBKNMYVZZLI-MRXNPFEDSA-N 362.405 1.412 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc3c(c2)OCO3)nn1 1549160701 GWDNZCTUOFBNTF-FDQGKXFDSA-N 374.441 1.222 0 40 FDAB CCn1c(S)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 13534767 MIPHTTMCEWZPRE-UHFFFAOYSA-N 354.457 1.275 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Br)cc2)c1 16117504 WVETXTMSJAYZOI-UHFFFAOYSA-N 371.256 1.909 0 40 FDAB CCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)ccc2n1CC 19523201 CVUISAKNJYMDHH-CQSZACIVSA-N 371.485 1.967 0 40 FDAB COc1cc(OC)c(S(=O)(=O)NCCc2cnccn2)cc1Cl 19595026 CNCABKHYXZKTSX-UHFFFAOYSA-N 357.819 1.668 0 40 FDAB CN(CC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccn1 19655284 MEKDIKLQJDJCAQ-MRXNPFEDSA-N 356.401 1.574 0 40 FDAB Cc1cnn(CC(=O)N2CCC([C@@H]3CCCCN3S(C)(=O)=O)CC2)c1 19745738 YMVVFPYTPBSZJF-INIZCTEOSA-N 368.503 1.244 0 40 FDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9762305 ZCHZQIZPLZGANL-HNNXBMFYSA-N 368.455 1.679 0 40 FDAB Cc1cc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)ncn1 1859823707 LZECBWSETCKRIW-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)C4(F)CCC4)CC[C@@H]3C2)nc1 1565546248 XGSWDHVDQRERJW-HZPDHXFCSA-N 362.449 1.985 0 40 FDAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)c1C 1565548551 FDLAFJFDQTVUPC-UHFFFAOYSA-N 357.414 1.123 0 40 FDAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2ccco2)s1 8823274 PHLWHRWWBMGWRP-UHFFFAOYSA-N 370.412 1.155 0 40 FDAB CCOc1ccc(C(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)cc1 11764965 KPHYCEHRYIEACD-UHFFFAOYSA-N 372.425 1.855 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(c2ccc(C)nn2)CC1 2055772580 YMQIWJRZPZKSHT-UHFFFAOYSA-N 355.442 1.991 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N3CCCc4ccc(F)cc43)cnc21 40117305 UIZYAMJYPUMZRP-UHFFFAOYSA-N 355.373 1.639 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1F 40113904 RIELNVVCOJYRSS-UHFFFAOYSA-N 371.412 1.991 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20548452 ONMRKVRBYOXMLX-OPMHUXHSSA-N 361.829 1.880 0 40 FDAB CCCNC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O 20637186 ZVNLSWMLWJJQGU-MOPGFXCFSA-N 373.497 1.888 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)C1=NN(c2ccccc2)C(=O)CN1 32632971 KPNADSFRTHOAEA-UHFFFAOYSA-N 352.350 1.346 0 40 FDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCC(C)C 11997714 NOVPITBGRIPUEE-UHFFFAOYSA-N 374.484 1.386 0 40 FDAB C[C@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2654812 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CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 13019299 VONHVGDWYZLVCT-GFCCVEGCSA-N 354.428 1.897 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(N(C)C)cc1 13583013 ZDBRIPNGYGPMKT-JEWRLFTDSA-N 363.410 1.138 0 40 FDAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4178423 KFSGQTBZORVWCO-SLDRDFCHSA-N 367.401 1.836 0 40 FDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 6108161 OJHMNBWMWSTYIY-MRXNPFEDSA-N 369.343 1.621 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O 6275965 HBULTDSTNRCKBR-UHFFFAOYSA-N 367.409 1.336 0 40 FDAB O=C(c1cc2c(s1)CCCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14019837 DFKZMLJLUBHBCU-CQSZACIVSA-N 368.524 1.572 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)c1cccc(OC)c1 42314869 AOQCFQQCMHUONG-UHFFFAOYSA-N 355.393 1.662 0 40 FDAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 14683305 YEZRQWAUHPORKN-UHFFFAOYSA-N 360.435 1.984 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccncc3)CC2)c2c(n1)c(C)nn2C 28557509 ZRQRNKUFCYCPSE-UHFFFAOYSA-N 351.414 1.338 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2S(C)(=O)=O)C1 7462915 LNBMTOJVADPOED-CYBMUJFWSA-N 368.455 1.304 0 40 FDAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71280966 ADXGZJWIAURJTH-SJORKVTESA-N 372.421 1.860 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024925 KXSALVHRLVXAQD-BCYDQPOLSA-N 361.829 1.879 0 40 FDAB CCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 9111379 UQOOJIZRRMHMDH-DNVCBOLYSA-N 357.410 1.313 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sccc1C(N)=O)C2=O 8192093 VFJIWQYERZPWPH-ABKXIKBNSA-N 364.427 1.286 0 40 FDAB NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 16807362 SSSSULMKQMAVNL-LJQANCHMSA-N 351.362 1.515 0 40 FDAB NC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 8392170 NTKRXMVGQBGERT-UHFFFAOYSA-N 358.398 1.369 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O 9494686 BNRBZQIEXZXIFL-YVEFUNNKSA-N 373.384 1.436 0 40 FDAB CC(C)[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)N1CCc2sccc2C1 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Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)s1 248001875 AUSNGZXRINKLHI-FRFSOERESA-N 360.483 1.667 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)c2c(C)noc2n1 257202899 ANVZAFVCCKMTNK-IIAWOOMASA-N 355.398 1.839 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257251679 JRRQPVLQFDEOMC-AWEZNQCLSA-N 357.414 1.940 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CCO1 257229776 FZLIFUHCQPZLNM-INIZCTEOSA-N 352.394 1.894 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3coc(C)n3)cn2)CC1 257199943 ABIZOVSSTGLZIA-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc2c(s1)CCC2 257306903 SWMZVUPPEGBVRJ-GOSISDBHSA-N 358.467 1.740 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CCc3cccnc3)C2)ncn1 257212902 CFJVNQNGVCNVFH-LJQANCHMSA-N 355.442 1.260 0 40 FDAB CCN1CCN(Cc2ccc(CNC(=O)NCCSC)cc2)CC1 608790583 IDNBPHKWJWLDBR-UHFFFAOYSA-N 350.532 1.986 0 40 FDAB C[C@]12CN(CC(=O)N[C@H](c3ccccc3)C3CC3)C[C@]1(C)C(=O)NC2=O 639954045 PPDVTIPAWOUFKD-NSISKUIASA-N 355.438 1.239 0 40 FDAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 671609831 MZLJHICAEREQCS-FOIQADDNSA-N 371.437 1.088 0 40 FDAB NC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2)CC1 1770773185 GXZZFRWAMQCHKH-MRXNPFEDSA-N 355.442 1.880 0 40 FDAB O=C(NC[C@H]1CCCCS1(=O)=O)c1nc(N2CCCC2)ncc1Cl 680046651 LIULOZQBPLQQNI-LLVKDONJSA-N 372.878 1.427 0 40 FDAB Cc1cn2c(CNC[C@@H]3CCn4ncc(C(N)=O)c4C3)c(C)nc2s1 681915233 AXCKXFNMSOMFOO-GFCCVEGCSA-N 358.471 1.660 0 40 FDAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)CCc2ccccc2C)C3)n[nH]1 1775958169 ILKRGPXSQMZKIN-KRWDZBQOSA-N 353.470 1.912 0 40 FDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CCc3ncncc3C2)c1 96122763 GJIWKAQMBGPLFJ-UHFFFAOYSA-N 360.439 1.038 0 40 FDAB Cc1nnsc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 292203549 XUFLEVVKLOBXTI-UHFFFAOYSA-N 366.468 1.489 0 40 FDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426680 YDKREBLUABTYHJ-MRXNPFEDSA-N 368.480 1.823 0 40 FDAB CNC(=O)C[C@@]1(COC)CCCN1S(=O)(=O)c1cccc(OC)c1 585278204 NFLSDRGLRPHJBW-MRXNPFEDSA-N 356.444 1.001 0 40 FDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(N2C(=O)CCC2=O)c1 56951774 JSIURINHIQSCRL-INIZCTEOSA-N 368.393 1.968 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72377821 JGIGEORIVXGFJA-CQSZACIVSA-N 362.459 1.949 0 40 FDAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 5509142 SYFDHHOKXUZVHM-SNVBAGLBSA-N 374.422 1.863 0 40 FDAB COc1cc(C(=O)Nc2nc3nc(C)cc(O)n3n2)cc(OC)c1OC 5577470 KISNSKOLTVQHJM-UHFFFAOYSA-N 359.342 1.416 0 40 FDAB O=C(c1ccco1)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 12157093 XSPNTKNTYXJCQY-UHFFFAOYSA-N 351.366 1.990 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cn(C)nc3C)CC1)O2 12225688 UKRAPXYEJJHTJE-UHFFFAOYSA-N 368.437 1.834 0 40 FDAB COc1ccc(-c2csc(CCNC(=O)c3ccc(=O)n(C)n3)n2)cc1 19288512 YUAVATSILBCDLD-UHFFFAOYSA-N 370.434 1.885 0 40 FDAB O[C@H](CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 19345607 IQDBEVPYJIKEID-MRXNPFEDSA-N 356.426 1.494 0 40 FDAB CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(C)(=O)=O)cc1 19527842 HEXCKTUETSIVDQ-UHFFFAOYSA-N 369.487 1.015 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2=O)c1 19565788 FSAOPFURWAWOMY-SECBINFHSA-N 368.315 1.972 0 40 FDAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O 19716144 IGJRSXAGTUARCY-OAHLLOKOSA-N 357.389 1.879 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC[C@@H]1CCCO1 19930490 HCWHCCSVWYPAKW-HNNXBMFYSA-N 352.456 1.355 0 40 FDAB N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 101273563 SUYGZKLVNVTMNK-UWVGGRQHSA-N 363.222 1.770 0 40 FDAB COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)n2N)cc1OC 2383370 DJLUJQIDNFFUKE-UHFFFAOYSA-N 368.393 1.100 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NC1CCN(C)CC1 37388876 QSWOHFPVULOXTL-UHFFFAOYSA-N 363.277 1.830 0 40 FDAB O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614947717 MIIYHOCJNQSNQD-CYBMUJFWSA-N 355.398 1.299 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@H]2O1 1565545358 GDWCBKIWPBVNAU-LEWSCRJBSA-N 362.411 1.067 0 40 FDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)on1 13596675 BPUQUMGLGFDBIR-UHFFFAOYSA-N 351.384 1.256 0 40 FDAB CCc1ccc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)cn1 2055713767 IZRJWKOTKKGUQH-UHFFFAOYSA-N 351.414 1.179 0 40 FDAB CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cccn(C)c1=O 23136281 DWMPUBWBQINDNA-UHFFFAOYSA-N 361.471 1.768 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@H]4C3)ncnc21 2086865036 CHVJBCSCLMCEBJ-GJZGRUSLSA-N 364.457 1.826 0 40 FDAB Cc1nc(NC(=O)c2nc(-c3cnccn3)no2)sc1C(=O)N(C)C 44225236 DBMKWKQNPNWCJV-UHFFFAOYSA-N 359.371 1.246 0 40 FDAB Cc1cnc(N)c(C(=O)C2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1 72373406 DIAGCWRDCBLYKR-UHFFFAOYSA-N 354.410 1.406 0 40 FDAB CC(C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1 26170267 VHJPGAVFIGVILL-IBGZPJMESA-N 372.513 1.976 0 40 FDAB Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCOCC3)CC2)s1 51098538 TZSBBPIBIMBFMA-UHFFFAOYSA-N 351.472 1.110 0 40 FDAB C[C@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 1344745 UHQUBEWIWMJTNS-ZDUSSCGKSA-N 352.398 1.378 0 40 FDAB CCOC(=O)C(NC(C)=O)(C(=O)OCC)C(=O)c1ccc(Cl)cc1 1700952 LAMXKIOBZOIFNF-UHFFFAOYSA-N 355.774 1.524 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 78918007 OSOBFADHYQTNOQ-KBPBESRZSA-N 356.467 1.335 0 40 FDAB CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCc3nncn3CC)ccc2NC1=O 78953517 FUQCKERHGNNKGX-BXUZGUMPSA-N 372.429 1.968 0 40 FDAB CC(C)(CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1)N1CCOCC1 79864449 RYFNITOYSBYZGO-OAHLLOKOSA-N 351.451 1.294 0 40 FDAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1=NN(C)C(=O)CC1 21758778 KTEXZOKRLNAMAW-UHFFFAOYSA-N 371.224 1.999 0 40 FDAB C[C@@H](OCc1ccccc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 41408070 JBZFZUPDCHZJJO-VQIMIIECSA-N 364.511 1.916 0 40 FDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 100179750 ODFBEHSCYKFGNC-IDLUEMFASA-N 356.422 1.800 0 40 FDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(C)c1 54112905 ANIUPIGGXJOUQI-IAGOWNOFSA-N 372.469 1.339 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298533 IYJHUPLAMBIDLZ-NXHRZFHOSA-N 351.454 1.934 0 40 FDAB biogenic,in-vitro O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cn2ccccc2=O)o1 23754224 AWQNLQUPHSEDCG-UHFFFAOYSA-N 362.349 1.718 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 43072653 QMBDCBAVONHBGU-UHFFFAOYSA-N 370.430 1.833 0 40 FDAB C[C@H]1CCCN(C[C@H](C)NC(=O)Cn2cnc3ccc(F)cc3c2=O)C1 106136278 UZYOWZQLPAQIFU-KBPBESRZSA-N 360.433 1.772 0 40 FDAB COc1ccc(C(C)=O)cc1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 12599106 GNIXFISCDNKJJM-GOSISDBHSA-N 366.417 1.879 0 40 FDAB O=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1 102956670 WSYITPUNIHLFQR-UHFFFAOYSA-N 357.372 1.548 0 40 FDAB COc1cc(C(=O)OCc2nnsc2Cl)ccc1OCC(N)=O 25177847 FFIMMWLWROAUKX-UHFFFAOYSA-N 357.775 1.421 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 3239758 YZZIXRDGLVYSFF-UHFFFAOYSA-N 371.345 1.660 0 40 FDAB Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 54368467 RZTPPXJVWTZKLH-UHFFFAOYSA-N 360.391 1.746 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 108525060 UIQLKBBKQPAMHC-RCCFBDPRSA-N 355.442 1.177 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)ccc21 58182577 MSGZLRWRILJSOT-CYBMUJFWSA-N 364.405 1.869 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)NC(=O)NC)c2ccccc21 58281451 DCZSFMUPCDHQBA-YDHLFZDLSA-N 360.458 1.739 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)c1cccs1 306126470 DWTTVHJGFPPXKS-RDTXWAMCSA-N 371.466 1.843 0 40 FDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccnc1-n1cncn1 45838816 YUKSLSYOPYUXIG-UHFFFAOYSA-N 350.260 1.622 0 40 FDAB Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(=O)N1CCNC1=O 29592513 XTVQXUAZGPVSSO-CYBMUJFWSA-N 350.419 1.182 0 40 FDAB CCCCNc1ccccc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 3531368 NEEOGUOWXUGJOW-CYBMUJFWSA-N 368.455 1.359 0 40 FDAB COc1ccc2cc(C(=O)OCc3nc(N)nc(N(C)C)n3)c(C)nc2c1 8718429 QKFIDSBEUBZDRA-UHFFFAOYSA-N 368.397 1.742 0 40 FDAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9476745 LBJOLGGROMUJIK-LLVKDONJSA-N 368.484 1.617 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(C(=S)NC2CCCC2)CC1 13784477 IDKAMGLOJAEZHX-UHFFFAOYSA-N 353.513 1.810 0 40 FDAB CN(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13734398 FTIHVJLOCVAIBX-UHFFFAOYSA-N 358.442 1.180 0 40 FDAB Nc1nc(N)nc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n1 14158244 WBKPILLGANOKOH-UHFFFAOYSA-N 368.367 1.162 0 40 FDAB COc1ccc(OCCNC(=O)c2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1 14252705 DRJNQORBRWWXDG-UHFFFAOYSA-N 355.350 1.034 0 40 FDAB CC(=O)NCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 6639906 VHDGFWZKCYBWIK-HNNXBMFYSA-N 353.850 1.737 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1NC(=O)c2ccccc2N1 9157347 HRUXVQQZKOCPTM-WBMJQRKESA-N 360.439 1.714 0 40 FDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C(C)(C)C)cc2)n(C)c1=O 4938919 DHSUJOSLYIQANR-UHFFFAOYSA-N 369.425 1.370 0 40 FDAB COC(=O)c1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 4957718 QZBYXDNMDPMVMX-OAHLLOKOSA-N 357.362 1.808 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)cc1 16084828 FRYXZSXPCGLYKX-UHFFFAOYSA-N 359.367 1.388 0 40 FDAB NC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 68534365 PPNUAJVIIKZSMJ-MRXNPFEDSA-N 352.394 1.390 0 40 FDAB Nc1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)s1 8066711 IUAUNCCIGMNKTF-UHFFFAOYSA-N 353.448 1.700 0 40 FDAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccncc1)C2=O 8024403 CTPGKYIYWQYLDD-YJYMSZOUSA-N 358.442 1.835 0 40 FDAB CN1CC(=O)N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 8164228 IEMRQNBWBSPUJL-UHFFFAOYSA-N 360.414 1.136 0 40 FDAB Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1ccncc1)C(=O)N2C(C)C 9344222 ISDZVRVKRHRSAL-QGZVFWFLSA-N 366.421 1.619 0 40 FDAB CC(C)[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCOCC1 71795915 VVGZWASJFKQEFD-KRWDZBQOSA-N 358.394 1.568 0 40 FDAB COc1cc2[nH]c(O)c(C(=O)NCCN3CCCC3)c(=O)c2cc1OC 19999168 IINJQHCDGKOQOS-UHFFFAOYSA-N 361.398 1.077 0 40 FDAB biogenic Cn1c(=O)/c(=C/c2ccc3c(c2)OCCO3)s/c1=C\C(=O)c1ccco1 96996676 LVQQHFAEMXNSNJ-IWSCKCOWSA-N 369.398 1.303 0 40 FDAB NC1(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)Cc2ccccc2C1 97019865 KQADAFDPJUCCIO-QGZVFWFLSA-N 361.449 1.932 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)O)CCCCC2)C1 84758690 CCEQRBFCARBONE-CYBMUJFWSA-N 360.476 1.342 0 40 FDAB COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2nc3nccc(C)n3n2)cc1 95458892 ZWYKPFIGRAGMJP-IUODEOHRSA-N 355.398 1.947 0 40 FDAB Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)o1 95961348 NUPWNGSNWUXFTM-INIZCTEOSA-N 371.441 1.275 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)Nc2nc(N3CCOCC3)ns2)c1 95973471 JFHZIXHEIDNFHD-UHFFFAOYSA-N 354.457 1.792 0 40 FDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1csc(C)n1 306126903 FIMDYYYRPRFLJW-CYBMUJFWSA-N 360.501 1.799 0 40 FDAB CCOc1ccc(C(=O)NCCCOC)cc1S(=O)(=O)NC(C)C 408700793 LYFGMNGXIJSTBQ-UHFFFAOYSA-N 358.460 1.538 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 72338989 FBLLSGFZTOAHFL-COESMTMPSA-N 370.449 1.925 0 40 FDAB Cn1c(CC(=O)Nc2cccc(OCC(N)=O)c2)nnc1-c1ccccc1 524430099 QUTZUHMUDTUUNA-UHFFFAOYSA-N 365.393 1.527 0 40 FDAB CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945320 GUQRLHKVLSXKHZ-MRXNPFEDSA-N 356.426 1.005 0 40 FDAB COc1cc(C)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 32988853 UIAXHDKPKFBCPD-UHFFFAOYSA-N 370.452 1.408 0 40 FDAB O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)C2CC2)CC1 42384022 OIBUZLNRXRMZRX-UHFFFAOYSA-N 362.407 1.043 0 40 FDAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO 223611064 DFYWGAUVHIWBMN-IAGOWNOFSA-N 360.483 1.884 0 40 FDAB COc1cc2nc(C)n(CCNC(=O)c3ccco3)c(=O)c2cc1OC 95479421 ZFPNYRAPJBWDCV-UHFFFAOYSA-N 357.366 1.745 0 40 FDAB COc1ccc(-n2nnc(C(=O)N3CCC(O)(C(F)F)CC3)c2C)cc1 331129497 CKQAYAUVUAQMMB-UHFFFAOYSA-N 366.368 1.817 0 40 FDAB Cc1cc([C@@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C)s1 332095371 DLITWYXZGHEADS-SNVBAGLBSA-N 372.450 1.802 0 40 FDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)n1 96108439 JSQYCPXCXSLFIU-UZLBHIALSA-N 354.454 1.607 0 40 FDAB O=C(NC1CC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95474578 DUWDWNJTLSWFPZ-MRVPVSSYSA-N 363.215 1.957 0 40 FDAB CN(C)C(=O)CN1CCC[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96215340 HYLODRNGBFVRFZ-INIZCTEOSA-N 371.528 1.313 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1cnn(C)c1)C2 96230450 XYDZFCZQJPAHIK-HXUWFJFHSA-N 367.453 1.260 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)o1 248121135 VEIWEBGTDDWSBI-HNNXBMFYSA-N 364.471 1.813 0 40 FDAB COCC(=O)NCC[C@@H]1CN(Cc2cccnc2OC)Cc2ccnn2C1 247820609 CXCJRJMWMVHZPR-OAHLLOKOSA-N 373.457 1.071 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 243533367 OESBKRBGVAEFAT-HNNXBMFYSA-N 374.528 1.043 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCc1ccco1)CN(CC1CCOCC1)C2 248023774 ITOZNFMLXQVMLQ-MRXNPFEDSA-N 358.442 1.655 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C(C)C)C3)c1 604382151 HUSYQQXMHYKEMY-QGZVFWFLSA-N 359.470 1.315 0 40 FDAB biogenic,in-vitro Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257278137 OAYQPNUMVDSMBR-ZDUSSCGKSA-N 364.475 1.154 0 40 FDAB Cc1noc(C[C@]2(O)CCCN(C(=O)Cc3cn4ccccc4n3)C2)n1 1775959760 VDUWFEXWNTUFQM-GOSISDBHSA-N 355.398 1.164 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CCOc1ccc(F)cc1 1775957140 FMDIIZVJOUJHAG-GJZGRUSLSA-N 350.394 1.984 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)cc1 1653951907 SWDCUTOUXGVWJN-CQSZACIVSA-N 351.410 1.952 0 40 FDAB CNC(=O)CN1CCN(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)CC1 646451932 NSXSXFVXGVJIRR-OAHLLOKOSA-N 370.457 1.388 0 40 FDAB COC(=O)/C=C/c1cc(OC)c(OCCOCC(=O)OC)c(OC)c1 141862039 RBEHUMPLQSWBSB-AATRIKPKSA-N 354.355 1.458 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]21 585109410 NPLULTQCAPCIDT-PMPSAXMXSA-N 364.467 1.520 0 40 FDAB CO[C@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1Cc1cccc(F)c1 585276094 JRYOCVIGFOLMET-AEFFLSMTSA-N 350.434 1.564 0 40 FDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095732 GNVDLPUAAXRQRH-HNNXBMFYSA-N 358.398 1.926 0 40 FDAB O=C(COc1ccccc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585278383 SLAGQVMTFWQBFF-HXUWFJFHSA-N 357.406 1.734 0 40 FDAB COC[C@H](C)NC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C 55860114 VMUVGGCDYFYAMY-NSHDSACASA-N 361.364 1.850 0 40 FDAB CC(C)(C)OC(=O)N1[C@H](C(=O)OCc2ccccc2)COS1(=O)=O 95630398 VUNBZHYPHYZUEV-LBPRGKRZSA-N 357.384 1.611 0 40 FDAB Cc1ccccc1CN1CCN(c2nccc(N3CCOCC3)n2)CC1 675720548 XFHRJZOKRINRHI-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB CCc1nc(-c2cncnc2[C@@H]2CN(CC(=O)N3CCCC3)CCO2)no1 19693696 JKSYPIFMYCVCFO-AWEZNQCLSA-N 372.429 1.085 0 40 FDAB C[C@@H]1CCCCN1C(=O)Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12 12184173 CCUATRJQAVOYJG-CYBMUJFWSA-N 366.425 1.015 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 12527565 NIUYBYZEUMVZRV-UHFFFAOYSA-N 374.466 1.580 0 40 FDAB COCCNC(=O)Cn1nc(-c2ccco2)c(-c2cc(C)no2)cc1=O 13226213 LCOZPQQLAVECKL-UHFFFAOYSA-N 358.354 1.229 0 40 FDAB O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 16754255 KEQNPUBMSXRINZ-GDNBJRDFSA-N 365.345 1.916 0 40 FDAB CCN1CCN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 19527849 PEVCNGWBXHAVJV-UHFFFAOYSA-N 373.906 1.579 0 40 FDAB CN1CCc2nnc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)n2CC1 19709344 DJYFAHHUAFFKML-MRXNPFEDSA-N 373.432 1.648 0 40 FDAB Cc1nc(C)c(C(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)o1 19709810 URURIKBNPDOXGM-CQSZACIVSA-N 358.446 1.844 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)N1CCCCC1 10256832 DAXLTTLPNDMKOG-UHFFFAOYSA-N 365.499 1.609 0 40 FDAB CN1CCC(NC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CC1 19749832 BLUBZVSOHWCOHK-UHFFFAOYSA-N 373.432 1.414 0 40 FDAB CCc1c(C)nc(C)nc1N1CCN(c2ncnc3ncn(C)c23)CC1 1888882240 GLACNRKOHNFPBO-UHFFFAOYSA-N 352.446 1.659 0 40 FDAB Cn1nccc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978184 GDMGKDUKINAHTF-PBHICJAKSA-N 354.410 1.314 0 40 FDAB C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2 1565546907 GWGHSCHPQYPTSR-NRXGSXMXSA-N 363.433 1.638 0 40 FDAB C[C@]1(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)CC=CCC1 1565548728 IYAYTWGTHGAUNO-VQTJNVASSA-N 362.470 1.599 0 40 FDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)Cn1cc(Cl)cn1)CC2 1565552516 YFQJCXJRSJUFTL-UHFFFAOYSA-N 367.862 1.322 0 40 FDAB COc1cccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055732618 UWQHTTVBQZVNFA-OAHLLOKOSA-N 371.437 1.803 0 40 FDAB Cc1cc(N2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)n2ncnc2n1 30585289 RFGAFGHRXGBUJN-AATRIKPKSA-N 352.398 1.696 0 40 FDAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)c1 12096374 YCQKRALTBJUPLO-LBPRGKRZSA-N 367.365 1.855 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 32895347 VXNWNEDSINHOTE-HZPDHXFCSA-N 367.515 1.595 0 40 FDAB O=C(Nc1ncccc1O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 32841707 VRCBVSNUUUOGRN-LLVKDONJSA-N 367.452 1.888 0 40 FDAB O=C1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)[C@@H]2CCCC[C@@H]2N1 79102461 BYEWCFAZLRURLJ-ZWKOTPCHSA-N 365.433 1.780 0 40 FDAB CCn1cc(Br)c(C(=O)Nc2cnn(CC)c2C(N)=O)n1 2779209 QGTFZJBEDMCRQZ-UHFFFAOYSA-N 355.196 1.233 0 40 FDAB C[C@@H]1CN(c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cn2)C[C@@H](C)O1 32930012 MCVSILUMUOQNPO-ZIAGYGMSSA-N 366.421 1.747 0 40 FDAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 52855475 LCLNLZQRUMARFJ-UHFFFAOYSA-N 354.472 1.467 0 40 FDAB COCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 4995161 JTSDUTGZKIYZHM-UHFFFAOYSA-N 369.270 1.912 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 6763112 UMJYXMDSYUKDTD-LBPRGKRZSA-N 366.414 1.818 0 40 FDAB CC(C)(CNC(=O)CCNC(=O)c1ccccc1Cl)N1CCOCC1 22239406 SHVXZMMEJFHSBJ-UHFFFAOYSA-N 367.877 1.687 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1 10385153 NWMWAJRYMKHCNA-NEPJUHHUSA-N 356.831 1.832 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 23127095 OUUQKJMIVBPPPO-UHFFFAOYSA-N 357.414 1.798 0 40 FDAB Cn1nccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc3nccnc3c2)C1 12408615 YFVMLGITOMWAFV-INIZCTEOSA-N 356.411 1.474 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n(C)c1 9337218 JUBFWPQKNSDQIB-VIFPVBQESA-N 368.484 1.767 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 9646959 GYOZTALSROZWSU-UHFFFAOYSA-N 373.409 1.691 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1 9926914 VBALZTLMDDLVJV-STQMWFEESA-N 352.412 1.187 0 40 FDAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCS(=O)(=O)C1 12540830 UMDPKCZFYRZPCF-CYBMUJFWSA-N 362.407 1.556 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)NCc1ccccc1 55348152 ONAQNOCQVOWHSS-AWEZNQCLSA-N 366.421 1.161 0 40 FDAB Cc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc2c(c1)OCO2 62001645 CKEGIHVEQJGIFO-UHFFFAOYSA-N 351.362 1.864 0 40 FDAB biogenic CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)=O)CC3 100242960 DHMFOASDSYIIDS-MRXNPFEDSA-N 371.441 1.803 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cn1nc(C)nc1C 100753393 LJVHRUMXMOACCM-UKRRQHHQSA-N 351.414 1.534 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccnc1-n1cncn1 58191457 YNFSGGOCCXVJCM-UHFFFAOYSA-N 364.365 1.417 0 40 FDAB COc1ccc(NC(=O)c2cccc(NCC(=O)N3CCNC3=O)c2)cn1 58296491 FDVJVJZVSOQILA-UHFFFAOYSA-N 369.381 1.306 0 40 FDAB COC(=O)CCN1CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 58330998 GTQSCIGAOWVQKQ-UHFFFAOYSA-N 356.426 1.568 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2nccs2)CC1 11187297 KYICEZNTMIZMCJ-UHFFFAOYSA-N 355.423 1.202 0 40 FDAB CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 3516682 MLVPSIUIYWOABQ-GOSISDBHSA-N 354.366 1.062 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 3907504 ATQLRYQFJXHCFP-UHFFFAOYSA-N 367.427 1.034 0 40 FDAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)O 408708112 GVHSTRGCCYAGBB-AWEZNQCLSA-N 369.421 1.361 0 40 FDAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)o1 14137116 IALSMSMVBZRKAQ-UHFFFAOYSA-N 366.395 1.567 0 40 FDAB Cc1nonc1C(=O)NCC(=O)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412823 MHUKQJPRJAZPOK-GZOSKZMVSA-N 354.410 1.806 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O 8844905 RHTZPVSOWAPGDO-UHFFFAOYSA-N 373.409 1.897 0 40 FDAB Cc1nc(SCC(=O)Nc2cc(F)ccc2F)[nH]c(=O)c1CCO 67219736 DZNDIWMVXKZPJR-UHFFFAOYSA-N 355.366 1.622 0 40 FDAB O=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1 19626032 GBHWXTRYHGPZMI-UHFFFAOYSA-N 371.403 1.682 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7843785 MXXKWKBJNJSZEI-UHFFFAOYSA-N 351.457 1.813 0 40 FDAB CCCCN1C(=O)[C@](NC(=O)C2CC2)(C(F)(F)F)C(C(=O)OC)=C1C 9134716 WYLBERWLUYRCHQ-HNNXBMFYSA-N 362.348 1.903 0 40 FDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(N)=O 8183604 JBNMEJXJIZDEBD-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC3=C(C2)[C@@H]2CNS(=O)(=O)[C@@H]2CC3)cc1 91302740 BLAHAZOGZYPHSN-GOEBONIOSA-N 368.480 1.008 0 40 FDAB CCOC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CO)cc(=O)c1O 72324610 VVAUTQCEZJTFJH-LBPRGKRZSA-N 364.350 1.637 0 40 FDAB biogenic CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 95451423 NVXOYYJTBKYPMR-KBPBESRZSA-N 354.472 1.414 0 40 FDAB CCOC(=O)c1ccsc1NC(=O)Cn1nnnc1-c1ccncc1 95997507 DHSMIXMCXOAACH-UHFFFAOYSA-N 358.383 1.612 0 40 FDAB Cc1oc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1C(=O)O 95970413 CTOMEMGONGHPGQ-UHFFFAOYSA-N 366.395 1.930 0 40 FDAB O=C1CN(C(=O)CSc2nncn2Cc2ccco2)c2ccccc2N1 9950831 PRCJVMDLJFHMKN-UHFFFAOYSA-N 369.406 1.997 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCOCC1 408601357 FXHPCRRJLPFMRL-UHFFFAOYSA-N 354.472 1.792 0 40 FDAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCC(N)=O)=N1 408991913 RMKIWCLYIRRMTG-GFCCVEGCSA-N 373.265 1.972 0 40 FDAB CCN1CCC(C(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)CC1 306124482 BQWHBOWSHJERGZ-GVDBMIGSSA-N 359.474 1.094 0 40 FDAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218193940 QQORDIVNAUQYLG-HZSPNIEDSA-N 362.289 1.941 0 40 FDAB CC(C)(C)C12CC(C(=O)N3C[C@@H](O)[C@H](NC(=O)Cc4ccoc4)C3)(C1)C2 1023500845 UWZBTQLPOLHWDE-SNEKZUEESA-N 360.454 1.726 0 40 FDAB O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1cn(C[C@H]2CCOC2)nn1 528771517 OLHIMSGYUZVBEU-GFCCVEGCSA-N 372.429 1.774 0 40 FDAB O=C(NCCOc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 38718761 RLRAAXXNTIFYPW-UHFFFAOYSA-N 360.341 1.366 0 40 FDAB CN(C)c1noc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 550787382 DPDDBAGOAMIFOX-UHFFFAOYSA-N 364.837 1.821 0 40 FDAB CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 36617198 MAYVKHOLXAQNPC-UHFFFAOYSA-N 359.411 1.970 0 40 FDAB Cc1nc(C2CCN(C(=O)COC(C)C)CC2)nc2c1CCC(=O)N2C 72371177 ZNZHRGNHGDVQQC-UHFFFAOYSA-N 360.458 1.825 0 40 FDAB COCCNC(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556802 HGVKBQDVXXNHIQ-ZROIWOOFSA-N 372.450 1.091 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc2)n1 44921531 BNRVFFNDLONTDN-UHFFFAOYSA-N 354.345 1.271 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2)s1 225139712 PSDOEACVJUCTNJ-SECBINFHSA-N 356.429 1.242 0 40 FDAB Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O 225511123 ANVHKDZVAPGGSV-PNDFQMOFSA-N 362.470 1.285 0 40 FDAB biogenic,in-vitro O=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc2c(c1)OCCO2 75156384 ZNAKLWZZZMEYBX-UHFFFAOYSA-N 356.382 1.756 0 40 FDAB COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)c1 514289596 WCTZXOBKBLGSKC-OKZBNKHCSA-N 363.458 1.677 0 40 FDAB biogenic,in-vitro Cn1cccc(C(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)c1=O 44036428 IRDAUNPFHAJVMD-UHFFFAOYSA-N 369.421 1.163 0 40 FDAB COCCNc1ccnc([C@@H]2COCCN2C(=O)c2ccc(C)nc2)n1 96209642 DBXODAJCPBLYSO-HNNXBMFYSA-N 357.414 1.452 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccncc4)CC3)[C@@H]1CN(C)C2 96062581 NFNHPNCSXRZHPF-OXJNMPFZSA-N 356.470 1.392 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)O)cc1 96198722 QGONOYXHPYQUDC-GDBMZVCRSA-N 352.456 1.697 0 40 FDAB CCN1Cc2c(C(=O)N3CCCC3)ncn2-c2ccccc2S1(=O)=O 96147345 UAJBWEWEUANLGH-UHFFFAOYSA-N 360.439 1.633 0 40 FDAB CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2)s1 97957216 OLYGUAXZGYHJGN-UHFFFAOYSA-N 362.230 1.956 0 40 FDAB O=C(O)[C@H]1C[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1 96198724 JTEBZJMUURZZJR-UKRRQHHQSA-N 356.419 1.528 0 40 FDAB COc1cc(N2CC3(CC[C@H](CNC(=O)c4ccncc4)CO3)C2)ncn1 247883723 KBUYQGVCDXHDFW-CQSZACIVSA-N 369.425 1.296 0 40 FDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)c1 248006051 GWQDADXZKAZAIF-INIZCTEOSA-N 374.466 1.560 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3cccc(C)n3)CCO2)n1 257203040 AOJBKRUSPYCPJA-MRXNPFEDSA-N 355.398 1.030 0 40 FDAB O=S(=O)(C1CCCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257330280 XNRHFSGYMRAVMP-AWEZNQCLSA-N 352.447 1.427 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@H](c3cncc(-c4cncn4C)n3)C2)n1 257248981 JGCRRQCJYBPKGA-ZDUSSCGKSA-N 351.414 1.630 0 40 FDAB CC[C@@H]1CN(S(=O)(=O)c2csc(C(=O)O)c2)C[C@]2(CCOC2)O1 368445099 FQDWIZMDSQDYHY-YGRLFVJLSA-N 361.441 1.405 0 40 FDAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H](O)C(F)(F)F 270785556 FDUABYJWVBHRJP-GWCFXTLKSA-N 369.361 1.828 0 40 FDAB CN1CCC[C@@H](N2C[C@@H]3CN(C(=O)COC4CCCC4)C[C@]3(C)C2)C1=O 1091507837 CFVGLWPCCMJZEO-MDYRTPRTSA-N 363.502 1.347 0 40 FDAB COc1cc(C(=O)O)cc(NS(=O)(=O)c2c(C)cnn2C)c1OC 285248400 UPIQFRVEPWKDBF-UHFFFAOYSA-N 355.372 1.245 0 40 FDAB O=C(Nc1cccc2nsnc12)c1c[nH]c(=O)n(Cc2ccco2)c1=O 90423971 UYGOWYRSORJKTM-UHFFFAOYSA-N 369.362 1.435 0 40 FDAB Cc1cc2c(N3CCN(C(=O)Cc4cnnn4C)CC3)ncnc2s1 613767551 CIZZTIDBYNXYKQ-UHFFFAOYSA-N 357.443 1.020 0 40 FDAB Cn1ccnc1C(Nc1ccc(C(=O)NC2CC2)cn1)c1nccn1C 624509184 VWWWWAAFQPWBAZ-UHFFFAOYSA-N 351.414 1.642 0 40 FDAB COCCN(Cc1cccnc1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1C 643777750 TZBWZBOGBRNYHR-MSOLQXFVSA-N 357.458 1.102 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cncnc2-c2ccccc2)C1 644038539 NJCWMWNTOMRMPL-IBGZPJMESA-N 354.410 1.247 0 40 FDAB CCn1cnnc1CNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644311960 YDVQNWPMGCDIPT-IBGZPJMESA-N 357.458 1.331 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)Nc2cnc(CC3CC3)nc2)C1 644434521 JQTJOPUMYCNSTH-GOSISDBHSA-N 361.446 1.266 0 40 FDAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 585104740 LQRXNRSOYNYRJG-OAHLLOKOSA-N 371.503 1.633 0 40 FDAB Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCCC3)C2)ccc1F 585283149 QIYVOGGZSLFRCY-LJQANCHMSA-N 353.434 1.881 0 40 FDAB Cc1ccc(Nc2nccc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)nc1 72377823 JIGUNLZAZNLLNU-AWEZNQCLSA-N 362.459 1.867 0 40 FDAB CN(C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53)c1ccc(N2CCOCC2)nc1 515001634 WSNMUCKNLPWDFS-WSTVPIJXSA-N 365.433 1.208 0 40 FDAB COc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(OC)n1 11765226 XIGHWDSCVKBEOA-UHFFFAOYSA-N 361.377 1.987 0 40 FDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnccn3)CC2)n1 12142936 HBIQOOKNZIUKPU-UHFFFAOYSA-N 368.441 1.431 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16025069 RFJJEHFIBDNUEV-XEBNNCGOSA-N 361.829 1.880 0 40 FDAB CC[C@H](NC[C@@H](O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)C(=O)O 16839705 NLLCXQCZLUXLPZ-CABCVRRESA-N 372.487 1.192 0 40 FDAB Cc1n[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 18004767 ZNBCIGXSWCPNGP-UHFFFAOYSA-N 358.427 1.642 0 40 FDAB CCOc1ccc([C@H](c2nnnn2CCOC)N2CCN(C)CC2)cc1 19532733 XLCJSWHUXMEVQU-QGZVFWFLSA-N 360.462 1.055 0 40 FDAB CCOc1cccc2sc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)nc12 19716574 GAEVOLIUMSMAFV-NSHDSACASA-N 362.455 1.831 0 40 FDAB Cn1cnc2cc(C(=O)Nc3cnn(CC(=O)N4CCCC4)c3)ccc21 19746152 UPHMFOQLTKNGJC-UHFFFAOYSA-N 352.398 1.645 0 40 FDAB COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 667366 PGTDTKDFAOTWHL-GFCCVEGCSA-N 362.407 1.779 0 40 FDAB COCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694080 JZOQERKPZINBNO-UHFFFAOYSA-N 365.817 1.399 0 40 FDAB CS(=O)(=O)Nc1cccc(CN[C@H]2CCCN(c3ncccn3)C2)c1 589641039 GRVJQKPPIWQLLD-INIZCTEOSA-N 361.471 1.607 0 40 FDAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3o2)c(=O)[nH]c1=O 5628889 SMBHADABMNOHDR-UHFFFAOYSA-N 360.395 1.645 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1 1889116978 PUYAGWHPZIRFLD-UHFFFAOYSA-N 372.517 1.520 0 40 FDAB NS(=O)(=O)N1CCC(C(=O)OCc2csc(C(F)(F)F)c2)CC1 1263522340 KPCVWYZJXGCBMM-UHFFFAOYSA-N 372.390 1.726 0 40 FDAB Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)cc1 2056225666 XIMCDJFXHPOWQD-ICSRJNTNSA-N 370.453 1.394 0 40 FDAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2cnccn2)cnn1-c1ccccc1 19374446 JGBRYRSLFPJZJS-INIZCTEOSA-N 362.393 1.732 0 40 FDAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12 2712197 JKVGORVIWSKTIM-UHFFFAOYSA-N 372.421 1.956 0 40 FDAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1 4061400 IUOBYOJNQZFFGS-UHFFFAOYSA-N 373.438 1.744 0 40 FDAB aggregator Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(F)c2)cc1C 9571100 DAKANTIWMYFPHD-UHFFFAOYSA-N 361.402 1.897 0 40 FDAB COc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 10251114 AIKDQMPWPHBXSD-UHFFFAOYSA-N 361.361 1.975 0 40 FDAB O=C(CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12)N1CCCCC1 16844488 YHWIIAORPSFDOK-UHFFFAOYSA-N 359.411 1.782 0 40 FDAB Cc1ccc(NC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c(C)c1 49411068 SSSOBAASFVFBEM-UHFFFAOYSA-N 356.426 1.644 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2cccnc2)C(=O)C1 585150485 XVSVIXGSPREDQK-UHFFFAOYSA-N 366.421 1.407 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 19293684 QLUXOKHJCTWGFD-CQSZACIVSA-N 368.416 1.483 0 40 FDAB CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 34947700 IPVQLZZIHOAWMC-NPJQDHAYSA-N 368.474 1.941 0 40 FDAB COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 5999133 KMYQEVOSRSCASE-RBUKOAKNSA-N 364.394 1.505 0 40 FDAB endogenous,in-man CSC[C@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 102335452 UYBLYALZQQEXGW-MELADBBJSA-N 350.440 1.803 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F 946534 RMBQHRPHRFGDRH-VHSKPIJISA-N 354.375 1.697 0 40 FDAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(c2cnccn2)CC1 32893679 YZGTWMDNTCOLAW-UHFFFAOYSA-N 365.437 1.956 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSC(C)(C)N1C=O 1761426 GZCNYXSDXQZKMU-KBPBESRZSA-N 350.440 1.197 0 40 FDAB CCCOC(=O)CC(CC(=O)OCCC)(OC(C)=O)C(=O)OCCC 4416190 JQGTURCBTICJNN-UHFFFAOYSA-N 360.403 1.928 0 40 FDAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccccc1C 4559879 KCCLQUODNNILEX-WOYTXXSLSA-N 351.399 1.116 0 40 FDAB COCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6545246 OWXLBTQCHMOUHL-UHFFFAOYSA-N 369.270 1.767 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 7679665 ZQTYUVBGOIRHGW-UHFFFAOYSA-N 371.374 1.484 0 40 FDAB CC1CCN(C(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)CC1 57507248 KQLGDOQBWNPWLD-UHFFFAOYSA-N 366.425 1.893 0 40 FDAB CCc1ccc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8156402 RGNZVLGSYRCSQR-UHFFFAOYSA-N 369.425 1.415 0 40 FDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12389091 MVLGKXDWXBMOHE-UHFFFAOYSA-N 366.468 1.490 0 40 FDAB CCOC(=O)c1oc2ccccc2c1COC(=O)CC[C@@H]1NC(=O)NC1=O 22491984 NVHDWZMEILRMKA-LBPRGKRZSA-N 374.349 1.641 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 58166426 HDVKCTJGEMEYSL-UHFFFAOYSA-N 351.432 1.397 0 40 FDAB CN1CCN(NC(=O)CCN2C(=O)S/C(=C\c3ccccc3)C2=O)CC1 975585 FACAPRBOQIRIOK-SQFISAMPSA-N 374.466 1.392 0 40 FDAB CN(CC(=O)/N=c1/sccn1C)S(=O)(=O)c1ccc(Cl)cc1 104999772 NWLQOZAZRPORRE-FYWRMAATSA-N 359.860 1.488 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)NCc1ccc(F)cc1 24728345 BAXNFQMGOIWIMA-CQSZACIVSA-N 353.394 1.329 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1Cl 102612557 UYDPARPIQSFIMZ-QHSBEEBCSA-N 364.785 1.221 0 40 FDAB Cc1ccccc1-n1cnn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S 12514919 CVTZJXYPCIRNBQ-ZDUSSCGKSA-N 352.485 1.788 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC2)CC1 24984380 QJWCWUDCJWXLQH-OAHLLOKOSA-N 374.485 1.227 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)[C@@H](C)N1CCCC1=O 100141356 SAEIIGQQKMFAHB-IPYPFGDCSA-N 353.426 1.637 0 40 FDAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)NC(=O)NC1CCCCC1 23223793 LXWKYQQQPJEFFA-LLVKDONJSA-N 361.398 1.489 0 40 FDAB Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)c3cnn(C)c3)cc2)n1 56061236 KJANURHQQOAZJS-UHFFFAOYSA-N 359.455 1.744 0 40 FDAB COc1ccc(C)cc1CCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 25762062 RGNHVJATAGHCAI-LJQANCHMSA-N 359.426 1.383 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCCCC1)c1ccc2c(c1)OCO2 113943256 RZBHMKSQRZPWKZ-UHFFFAOYSA-N 368.455 1.974 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102081005 MNPJDCSCEUDQKA-RPLLJCPNSA-N 369.373 1.228 0 40 FDAB CCN1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@H]23)CC1 20411638 RZJXEISZQFKAGA-RUNBYEGESA-N 362.514 1.909 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCc1ccc(F)cc1 10198396 MVFSWOWVUJNSHN-UHFFFAOYSA-N 361.764 1.538 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C)c1ccc(Cl)cc12 2203604 INRDLLHMRKAMKM-CQSZACIVSA-N 352.803 1.472 0 40 FDAB O=C(c1ccsc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 24094018 CCEFMMDIHZJFGK-MRXNPFEDSA-N 358.419 1.873 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCn2nnc3ccccc3c2=O)n1 48365876 ASVLRBIIGAYUAO-ZDUSSCGKSA-N 368.441 1.447 0 40 FDAB CC(=O)N[C@@H](CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C)cc1 11546307 WCZJTLPXFCDDRZ-SFHVURJKSA-N 367.453 1.701 0 40 FDAB NC(=O)NCCCCNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 72289998 RNZSAYAOXYOYAH-UHFFFAOYSA-N 363.393 1.763 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 49546865 UNINUOWPCZUSTA-LBPRGKRZSA-N 352.394 1.693 0 40 FDAB COCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944877 QHSUCLDZWLTFGJ-CQSZACIVSA-N 361.417 1.851 0 40 FDAB O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1ccnc1 5267140 YKLXFGRKCPJSGZ-UHFFFAOYSA-N 354.819 1.511 0 40 FDAB CCCc1n[nH]c(SCC(=O)N([C@H](C)CC)[C@@H]2CCS(=O)(=O)C2)n1 14083219 NLTLUIWVZCXWOB-VXGBXAGGSA-N 374.532 1.664 0 40 FDAB COc1ccc(C(=O)N[C@H](C)c2ccco2)cc1S(=O)(=O)N(C)OC 14138338 PCBHFSXBOPMCHY-LLVKDONJSA-N 368.411 1.961 0 40 FDAB COc1ccc(/C=C/C(=O)Nc2ccn(C)n2)cc1S(=O)(=O)N(C)C 14199175 CVLZMTSLRSVKNY-SOFGYWHQSA-N 364.427 1.331 0 40 FDAB COC(=O)c1ccoc1CN1CCN(CC(=O)NCc2ccccc2)CC1 24245274 BQIIFOUAWNHOPK-UHFFFAOYSA-N 371.437 1.500 0 40 FDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc3c(c1)CCC3)CN=2 6661399 UTUNKCKAOQDBKU-WQRHYEAKSA-N 362.458 1.677 0 40 FDAB COCCCNC(=O)CSc1ncc(C(=O)O)n1-c1ccc(F)cc1 6651129 FVVVUOUZWYWRHB-UHFFFAOYSA-N 367.402 1.954 0 40 FDAB Cc1ccc(NC(=S)NC[C@H]2CCCO2)cc1S(=O)(=O)N(C)C 7517381 NIYLBMJXPWILMP-CYBMUJFWSA-N 357.501 1.711 0 40 FDAB COc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(N)=O 7753822 FWXOLUMESADMKV-UHFFFAOYSA-N 358.350 1.218 0 40 FDAB COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1C 25989853 YADYKXUZBMQNJF-UHFFFAOYSA-N 361.398 1.912 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)NCc1ccc(Cl)cc1 9153981 WJTAFHMPFUJKEE-ZDUSSCGKSA-N 367.858 1.677 0 40 FDAB COC(=O)CC1(NS(=O)(=O)c2ccc(C)cc2F)CCN(C)CC1 72313985 SJRHPPLDPBXREZ-UHFFFAOYSA-N 358.435 1.440 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)N2CCN([C@H]3CCCCNC3=O)CC2)cc1 72308545 IKIIVGHSUMBWJG-LPHOPBHVSA-N 372.513 1.862 0 40 FDAB CN(CCN1CCOC1=O)C(=O)CCc1nc(-c2ccsc2)no1 83860900 UGZRVXRGJSOTLU-UHFFFAOYSA-N 350.400 1.641 0 40 FDAB Cc1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 9704665 WDTACHFXKURNND-UHFFFAOYSA-N 358.419 1.711 0 40 FDAB Cc1ccn2c(=O)cc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)nc2c1 9836690 QNTDRNYKZJLNAI-NRFANRHFSA-N 374.400 1.896 0 40 FDAB Cc1nc(CN(C)C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)no1 95465079 JLXIUFSKZXIGNX-UHFFFAOYSA-N 364.427 1.399 0 40 FDAB COc1c(F)c(F)c(C(=O)NC(=S)NC2=NCCS2)c(F)c1F 408627611 MITVVXDAZVDDDS-UHFFFAOYSA-N 367.349 1.959 0 40 FDAB CC1=C(C(=O)NCCOc2nonc2C)[C@@H](c2ccsc2)NC(=O)N1 67843495 HJBUGLHADIIKFM-GFCCVEGCSA-N 363.399 1.263 0 40 FDAB C=CC(=O)N(CC)CC(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 1520601137 ANCGLKQUTXLQBG-NSHDSACASA-N 373.379 1.396 0 40 FDAB COC(=O)c1cn([C@@H](CC(=O)O)c2cccc(O)c2)cc2c(O)nnc1-2 524733772 OAOCIHDXDGXWJY-ZDUSSCGKSA-N 357.322 1.645 0 40 FDAB CC(C)CCNC(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32072049 SIOJHEMYBBPTDL-HNNXBMFYSA-N 367.471 1.771 0 40 FDAB CS(=O)(=O)N1CC[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 38832972 AHEHVWJBTPWQSC-GOSISDBHSA-N 374.462 1.963 0 40 FDAB O=C(COc1nn(-c2ccccc2)cc1Br)N1CCOCC1 227151300 BEAJRDKOFBMGAT-UHFFFAOYSA-N 366.215 1.872 0 40 FDAB C[C@H]1CN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC[S@@](=O)C1 574282429 WEDDWDQOBOSWPH-ODCWNRFASA-N 360.483 1.825 0 40 FDAB CC(C)[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225222924 YHOAGFOBUXOCPE-CQSZACIVSA-N 354.472 1.623 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCCCC2)s1 222686927 JBLWZCYPYGIVAF-UHFFFAOYSA-N 361.493 1.041 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)COCC2 75441973 DCWLWXFFTZVMJI-UHFFFAOYSA-N 356.407 1.955 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nnc([C@H]2CCCO2)s1 41107455 DRECPFCFTLCREU-GFCCVEGCSA-N 357.395 1.807 0 40 FDAB NC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223328514 PTXTWPBICBDQSM-UHFFFAOYSA-N 367.770 1.674 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225921310 WKKLCAYCSHIHOF-OAHLLOKOSA-N 354.472 1.467 0 40 FDAB CCn1ccnc1CN(C(=O)Cn1ccccc1=O)[C@@H]1CC12CCNCC2 575475598 UFCUBEYMHJVCNR-MRXNPFEDSA-N 369.469 1.236 0 40 FDAB Cc1ccc(CN2C[C@H]3CN(C(=O)C4CCOCC4)CCN3C2=O)cc1 85436116 BWVWIYIZLDDGGF-GOSISDBHSA-N 357.454 1.870 0 40 FDAB biogenic,in-vitro CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c1 222613847 WFEAYIQQKWPDTC-AWEZNQCLSA-N 368.455 1.864 0 40 FDAB O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCCO4)C2)nn1 583383845 WFVYBTBZXAYCQE-ZDUSSCGKSA-N 372.381 1.154 0 40 FDAB CN(CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 95512980 WAZYRJFARNNFTB-OAQYLSRUSA-N 370.493 1.909 0 40 FDAB COCCN1CCN(C)C2(CCN(C(=O)c3ccsc3)CC2)C1=O 96230071 YXVLJCMWUJVHRI-UHFFFAOYSA-N 351.472 1.143 0 40 FDAB O=C(NCCN1CCOCC1)c1nc2c(o1)CN(Cc1ccccc1)C2 96266012 OVHOYUAOBKIYEI-UHFFFAOYSA-N 356.426 1.252 0 40 FDAB O=C(Cc1ccccn1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96209824 YVPNEZOLSGAGMK-KUHUBIRLSA-N 354.410 1.602 0 40 FDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257273893 NIQLNBXOXIUISF-OAHLLOKOSA-N 359.430 1.684 0 40 FDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 257291564 QHODEHRAPRBORL-YOEHRIQHSA-N 356.369 1.842 0 40 FDAB CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CCCN(C(C)=O)C2)CC1 584902960 ASBLBSURSIRYEG-QGZVFWFLSA-N 374.485 1.928 0 40 FDAB CNc1cnc(C[C@H]2CCCN(C(=O)CCCn3cncn3)CC2)cn1 257342563 ZPGCAIRMERZTDS-HNNXBMFYSA-N 357.462 1.761 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1ccccc1 257300476 RULGEXHJLZRLRV-QUCCMNQESA-N 367.449 1.977 0 40 FDAB Cc1ncc(-c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1C 257333707 YCRONUXOJHKDAT-UHFFFAOYSA-N 363.487 1.776 0 40 FDAB O=C(CC1CCOCC1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257327743 XCNOPXXQHQBGLR-MRXNPFEDSA-N 358.442 1.564 0 40 FDAB C[C@@H]1COC(=O)N1c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257329195 XIWTXZLPWCEQLB-LLVKDONJSA-N 354.432 1.036 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nc(C)cn3C)C2)c1C 257265767 MAELSXVIQJBDJR-AWEZNQCLSA-N 351.476 1.822 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)cn1 262267848 GCBCWJQYGPVDHG-UHFFFAOYSA-N 370.409 1.401 0 40 FDAB CC(C)N1CCN(S(=O)(=O)c2ccc(C(=O)CCC(=O)O)cc2)CC1 545555134 PCPRZKAMFBOFFF-UHFFFAOYSA-N 368.455 1.449 0 40 FDAB Cn1nccc1-c1ccc(N2CCC(C(=O)NCC(F)(F)F)CC2)nn1 641283000 JIYDEYCNYDXQPC-UHFFFAOYSA-N 368.363 1.772 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)c(C(F)(F)F)n1 646035505 MSTZQLORDULWKY-QMMMGPOBSA-N 355.338 1.457 0 40 FDAB C/C(=C/c1ccccc1)C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 390831569 SOLBSSRRPLRYNS-OJSRQPNCSA-N 362.495 1.858 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(C(=O)O)cs1 566358159 SEJJGOOYWBBLBR-VIFPVBQESA-N 355.441 1.682 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12 575616944 OOPVELNVYRMMGW-AWEZNQCLSA-N 361.467 1.549 0 40 FDAB CO[C@]1(CC(=O)N(C)C)COCCN(Cc2ccc3ccccc3n2)C1 585281353 WRAGHDGOSYOORQ-FQEVSTJZSA-N 357.454 1.931 0 40 FDAB COC[C@]1(CC(N)=O)CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 585276648 BXXOBEWDYTYKNO-IBGZPJMESA-N 359.426 1.220 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1Cc1cccc(F)c1 585281378 WSZVZCZKHGTPNO-ROUUACIJSA-N 358.417 1.761 0 40 FDAB O=C(NCC(=O)N1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 678948244 RCERYPKKYFGVJT-OCCSQVGLSA-N 371.359 1.719 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1ccc2cncn2c1 685941591 FOFQHXNNXNPNLL-IUODEOHRSA-N 354.414 1.700 0 40 FDAB CN(C)CCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 198116678 YRYOSZCAXFADFN-UHFFFAOYSA-N 351.410 1.131 0 40 FDAB CCCS(=O)(=O)N1CCC(C(=O)N(CC)C[C@@H]2CCCN2CC)CC1 1615539876 QABVFGVNQPACNS-KRWDZBQOSA-N 373.563 1.771 0 40 FDAB COC(=O)[C@H](C(C)C)N1SC[C@H](NC(=O)OCc2ccccc2)C1=O 140523785 CDTJUOSLGWPBJO-KBPBESRZSA-N 366.439 1.969 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268089 FFIRXIMOEJYJLM-CYBMUJFWSA-N 355.398 1.382 0 40 FDAB COc1ccc2c(c1)-c1nc3c(cc1[C@H](O)O2)c(=O)[nH]c(=O)n3CC(C)C 14083611 ITVUMEXZIAQEHX-GOSISDBHSA-N 369.377 1.800 0 40 FDAB O=C([C@@H]1CC12CCC2)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 19375863 IQRBLAPCPMRYII-HNNXBMFYSA-N 352.438 1.758 0 40 FDAB O=C(CN1CCc2nnc([C@@H]3CCCN3)n2CC1)Nc1ccccc1F 19706294 OLADLXFPXXHEEG-HNNXBMFYSA-N 358.421 1.339 0 40 FDAB O=C(CSc1nnc2n1CCN2c1ccccc1)NC[C@H]1CCCO1 9651484 STPFMUVJGYARLZ-CQSZACIVSA-N 359.455 1.817 0 40 FDAB CCOc1ccc2nc(SCC(=O)N3CCC[C@@H](C(N)=O)C3)[nH]c2c1 9367067 CLEAGKYBDOUIIS-LLVKDONJSA-N 362.455 1.778 0 40 FDAB COCc1nsc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888863843 GYVGNBJDOSAVQQ-AOOOYVTPSA-N 366.422 1.200 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncc(C)cn5)C[C@@H]4C3)ncnc21 1888897111 DJGSRLCMTJSOPC-KBPBESRZSA-N 350.430 1.517 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)Nc5ccccc5)C[C@H]4C3)ncnc21 1888921684 XPKOURMLRQWFEP-ZIAGYGMSSA-N 363.425 1.963 0 40 FDAB O=C(N[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)C1CC1 1889085249 QCPZZTKJUUWJEJ-SNVBAGLBSA-N 354.336 1.638 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccn3)CC2)n1 1889108826 ZROHXGSMHIKMPR-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4ncn(C)n4)C[C@@H]32)CC1 1565551164 AVBZPCGGUQNCPG-UKRRQHHQSA-N 367.457 1.253 0 40 FDAB Cc1cccc(F)c1C(=O)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565556165 XONPUPVQIWXHLD-UHFFFAOYSA-N 370.428 1.943 0 40 FDAB Cc1ccc2oc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2n1 8798750 CPPZUFVJGAADQG-UHFFFAOYSA-N 359.407 1.756 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2ccccc2C)c(=O)c3=O)cc1 8849249 VHUFMBCZQOJUGG-UHFFFAOYSA-N 364.405 1.922 0 40 FDAB CCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)s1 12180691 LZRRQJYPZWPMLY-UHFFFAOYSA-N 367.431 1.904 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(C)C)CC2)cc1 12441399 DOQJDQPSOXQWMR-UHFFFAOYSA-N 361.442 1.648 0 40 FDAB COc1c(C)cnc(CN2CCC(NS(=O)(=O)C3CC3)CC2)c1C 1851032802 ALEYFVVIPGSFKP-UHFFFAOYSA-N 353.488 1.753 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NS(=O)(=O)C1CC1)CC2 2055738821 SQXQAYHPZKQNLK-JTQLQIEISA-N 365.411 1.137 0 40 FDAB CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cccc(Cl)n1)C2 2055773011 JNJXOWPWHKJHFF-CXAGYDPISA-N 351.834 1.881 0 40 FDAB Cc1cc(C)cc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)c1 2055731814 ZPUBWZVLQZHYBK-OAHLLOKOSA-N 363.483 1.988 0 40 FDAB COc1cccc(N2C[C@]3(COCCN(C(=O)C4CC4)C3)OCC2=O)c1 2055803594 OJQCPWOFGCTLHJ-LJQANCHMSA-N 360.410 1.066 0 40 FDAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(C(=O)NC(C)C)C[C@H]4C3)ncn2)n1 2086889816 MSOUSRHLMPNKJZ-HZPDHXFCSA-N 369.473 1.765 0 40 FDAB COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2)c1N 4035786 CBHQLVSKRVBYFX-UHFFFAOYSA-N 366.381 1.760 0 40 FDAB CC(C)CNC(=O)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 32103171 QXZMHQVJOWFMGO-CQSZACIVSA-N 353.444 1.381 0 40 FDAB Cc1nc(-c2ccc(CCNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)cs1 32819254 VSGFHDYHWQRLEF-UHFFFAOYSA-N 370.434 1.327 0 40 FDAB COc1cccc(CNC(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 78877953 HTRPMUWONZZQAE-HNNXBMFYSA-N 350.415 1.947 0 40 FDAB NC(=O)[C@@H]1CC[C@H](C(F)(F)F)N(CC(=O)NCc2ccc(F)cc2)C1 79075075 UNLBJCASCGIPDR-DGCLKSJQSA-N 361.339 1.570 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 8394946 ITSHUUPIHGNTFU-UHFFFAOYSA-N 361.398 1.831 0 40 FDAB C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 22912206 GJPXNONTXWABGY-GOSISDBHSA-N 372.513 1.494 0 40 FDAB COCCNC(=O)c1nc(NS(=O)(=O)c2ccccc2)sc1C 12324143 HBDYNYKRERBMAV-UHFFFAOYSA-N 355.441 1.629 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2)nc1 42497583 JVSRSLLHVAJFNT-CQSZACIVSA-N 369.512 1.218 0 40 FDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 980834 IOOORWJXJIJRSY-UHFFFAOYSA-N 361.261 1.596 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1 9288579 UBFPANHYVGUYIX-KBPBESRZSA-N 350.440 1.795 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1 9288627 RAUQCPFTHNBTSP-OCCSQVGLSA-N 366.439 1.496 0 40 FDAB COc1ccccc1OC[C@@H](O)CN1CCN(Cc2cccnc2)CC1 61722086 VEANKWAFPJKYEZ-SFHVURJKSA-N 357.454 1.648 0 40 FDAB C1Cc2sc3nc(CN4CCOCC4)nc(N4CCOCC4)c3c2C1 23994976 MXAPJDREPOKANY-UHFFFAOYSA-N 360.483 1.849 0 40 FDAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1 106743930 LXRTVLQWNPPRTH-GHXNOFRVSA-N 365.363 1.448 0 40 FDAB NS(=O)(=O)c1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1 24684872 KVLDPURJPSMLBZ-MDZDMXLPSA-N 352.437 1.424 0 40 FDAB O=C(c1cnn2cccnc12)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142622 LYAFCZKDCSAHCO-STQMWFEESA-N 367.384 1.918 0 40 FDAB C[C@@H]1C(=O)[C@]23[C@H](O)C[C@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@@H]1[C@H]3O 108480734 GPITUBGISIVOSF-UJWKWIMCSA-N 352.471 1.118 0 40 FDAB C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@](C)(O)CN(C)C)C[C@@H](C)O1 107592832 UNUFRAXFPLLOCL-SPYBWZPUSA-N 364.490 1.734 0 40 FDAB COc1cccc(CN2CCC3(CC(NC(=O)c4cnccn4)C3)C2)n1 108531990 ULWANGPYXVSQNO-UHFFFAOYSA-N 353.426 1.665 0 40 FDAB Cc1ccoc1C(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108528231 LKRZKLFJEJDHMI-ZDUSSCGKSA-N 356.444 1.291 0 40 FDAB COc1cc(C(=O)Nn2cnc3ccccc32)cc(Cl)c1OCC(N)=O 10136119 YIPNFKVQVWVBQM-UHFFFAOYSA-N 374.784 1.946 0 40 FDAB CCOC(=O)c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 58173908 PUBRAUXMAPFGHQ-LBPRGKRZSA-N 355.437 1.937 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNc2ncnc3cc(F)ccc23)C[C@@H](C)O1 58218520 WJGZFVSEHWUMRX-VXGBXAGGSA-N 368.434 1.620 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 58291355 IHRZRBIGOMIVKD-KRWDZBQOSA-N 367.515 1.426 0 40 FDAB CC(=O)N(CCCNC(=O)CCN1C(=O)COc2ccccc21)C(C)C 48312850 NDZWORBMWXMBCA-UHFFFAOYSA-N 361.442 1.565 0 40 FDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@@H]2CCCCNC2=O)c(C)c1 45666829 CRHQASMFQJFIHN-OAHLLOKOSA-N 360.458 1.860 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C[S@@](C)=O)c2)C1 48467289 GBJKLPDFLWOLMI-MYYSRTQBSA-N 352.456 1.916 0 40 FDAB COc1ccccc1[C@@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O 12993345 RBPQBIBQIQMQEY-CYBMUJFWSA-N 353.382 1.315 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3cccn3C)cc2)n1 12931981 UINODWUZBOUENT-UHFFFAOYSA-N 365.437 1.987 0 40 FDAB O=C1NC2(CCCCCC2)C(=O)N1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 13008000 RFDFZZSBPLCIFT-CQSZACIVSA-N 369.487 1.240 0 40 FDAB O=C(O)Cc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 13421341 FETSFWRYRJOBGM-OAHLLOKOSA-N 357.362 1.649 0 40 FDAB O=C(COC(=O)CN1CCCCCC1=O)NCC1(c2ccccc2)CC1 22343651 IWCIJWGRSPIEAL-UHFFFAOYSA-N 358.438 1.780 0 40 FDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NC(=O)Nc1ccccc1F 6055133 JMMAVPXGCDNIEI-OAHLLOKOSA-N 374.324 1.857 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 4515472 NWQLGJJRKASSGC-BBATYDOGSA-N 359.382 1.855 0 40 FDAB COc1ccc(COC[C@H](O)CN2CCN(C(=O)C(C)C)CC2)cc1 14202079 VISSMUBQWPZXGZ-QGZVFWFLSA-N 350.459 1.373 0 40 FDAB COc1cc(OC)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 5538664 AJPFKVLDQRZXSG-NSHDSACASA-N 372.377 1.987 0 40 FDAB O=C(COC(=O)CN1CCCCCC1=O)NCCc1ccc(F)cc1 5538718 LBKWEUDBZVVBIJ-UHFFFAOYSA-N 350.390 1.430 0 40 FDAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 26977513 AWOMQEFLZAHQJT-LLVKDONJSA-N 360.863 1.889 0 40 FDAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 4992820 GYJAMKDNQXLWAO-LBPRGKRZSA-N 360.439 1.199 0 40 FDAB C[C@]1(NC(=O)CN(Cc2ccccc2F)C2CC2)CCS(=O)(=O)C1 16395503 IFHFTOAFKVJEGS-KRWDZBQOSA-N 354.447 1.484 0 40 FDAB CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CCOCC1 20366951 YMBYTPQLOCQMSL-MDWZMJQESA-N 361.423 1.607 0 40 FDAB Cc1cscc1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 176828880 QDUZIONTNUVZAD-UHFFFAOYSA-N 373.482 1.646 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1 32747325 SNCJDVXRJKEOQO-UHFFFAOYSA-N 358.375 1.455 0 40 FDAB CC(C)Cc1noc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)n1 548007481 ULTMFNUFZXBBLE-GFCCVEGCSA-N 361.406 1.104 0 40 FDAB O=S1(=O)CCC(O)(CN2CCC[C@H]2Cc2cc(F)ccc2F)CC1 517721050 PPOUHZHQVDBOPC-HNNXBMFYSA-N 359.438 1.911 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2cccnn2)C1 225416441 JZAFIPOXWADBFM-KRWDZBQOSA-N 354.410 1.607 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCC3)ccc21 225677415 OSPPBGBJJPXMNV-UHFFFAOYSA-N 355.485 1.364 0 40 FDAB COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(C)=O)s1 222710772 HLAYYYKXSKRUIX-UHFFFAOYSA-N 370.456 1.416 0 40 FDAB CC(=O)N1CCC(N2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)CC1 85436180 HQGNWNWKODBVAV-GOSISDBHSA-N 357.458 1.014 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224177680 VPQVXQSJMKJRIU-UHFFFAOYSA-N 356.426 1.489 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(C)(C)CN1CCOCC1 331288978 VNJFKKSRRXQLKE-UHFFFAOYSA-N 370.515 1.983 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@H](c2ccncc2)C(=O)N3)cn1 96199555 RJRMSHXIWCLVNM-OAHLLOKOSA-N 351.410 1.459 0 40 FDAB CN1Cc2c(C(=O)N3CCCCC3)ncn2-c2ccccc2S1(=O)=O 96266101 JAHQROJMTSSPBJ-UHFFFAOYSA-N 360.439 1.633 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)[nH]n1 96223458 YKUFMMUQOQVQOD-KDOFPFPSSA-N 356.430 1.408 0 40 FDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CC(F)(F)C3)C2)n1 96207003 HFUPDYPUVUUIME-PBHICJAKSA-N 351.397 1.706 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 245224260 UBOKTTMKVJUYSR-YUTCNCBUSA-N 353.396 1.791 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257324963 WQYAENBCEFCVRU-BFYDXBDKSA-N 356.825 1.362 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@H](C[C@H](C)C(=O)O)C2)c1 585091629 WUAKKBUEAFKKLR-QWHCGFSZSA-N 368.455 1.605 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)[C@H](C(=O)N(C)C)C1 257277356 NXQSXUWBVLUSTG-KRWDZBQOSA-N 371.437 1.849 0 40 FDAB CO[C@H]1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)C[C@@]12CCCO2 257301657 RZHQWMNFTFGSRW-HKUYNNGSSA-N 361.442 1.853 0 40 FDAB O=C(NC[C@]1(O)CCN(c2ncccn2)C1)c1ccc2c(c1)CCCC2 257237719 HHVMXIYXBVWCLM-HXUWFJFHSA-N 352.438 1.727 0 40 FDAB Cc1noc(C)c1CC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257298535 RMDHXVSZAZEAMJ-INIZCTEOSA-N 357.401 1.528 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1cnn(C)c1)CC[C@H]2O 257324502 WOYKDIRCFCGAMM-BQJUDKOJSA-N 368.481 1.617 0 40 FDAB Cc1noc(CN2CCCC[C@@H](N=c3cnc4ccccc4[nH]3)C2=O)n1 643699795 DJJIXCNTYQMITC-OAHLLOKOSA-N 352.398 1.736 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 648048891 AHMAISPKRDPXDM-AWEZNQCLSA-N 374.359 1.839 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 36593342 RQFDUHWQJFYRPF-BDJLRTHQSA-N 358.398 1.637 0 40 FDAB biogenic O=C(Cc1c(F)cccc1Cl)N[C@H]1CCN(c2ccc3nncn3n2)C1 390832074 XAYNEWSBIWBPDY-NSHDSACASA-N 374.807 1.854 0 40 FDAB Cc1cc(CN2CCC[C@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)n(C)n1 585099625 SPAYKORWGIJUEC-IBGZPJMESA-N 355.442 1.056 0 40 FDAB CCOCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@@H]2C 585097826 RGZNFKJZELJJEF-CYBMUJFWSA-N 350.444 1.889 0 40 FDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)CCc1c(C)n[nH]c1C 585277085 FTHNVBRRQOCPJH-HOTGVXAUSA-N 350.463 1.491 0 40 FDAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 585100816 XSUUQALVDBERBI-FQEVSTJZSA-N 373.501 1.390 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 68126181 JFKPEOCYQWPMIX-UHFFFAOYSA-N 351.458 1.821 0 40 FDAB O=C(O)C[C@H](CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 1032822 LRIYBXFUWYWNAR-INIZCTEOSA-N 354.410 1.774 0 40 FDAB O=C(c1cccnc1O)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615162342 WHWRRWSNTSDGMT-JKSUJKDBSA-N 352.431 1.322 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1615205113 XRJFAECSIZMAPZ-OAGGEKHMSA-N 372.512 1.228 0 40 FDAB CCOC(=O)C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CC1 5204905 RRQGTFBXTHLGGV-INIZCTEOSA-N 362.426 1.755 0 40 FDAB COc1cc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc(OC)c1OC 12114799 WGBWOYMIDJOOBI-UHFFFAOYSA-N 369.381 1.823 0 40 FDAB O=C(O)CCC(=O)SC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16041924 DGVVVAKDZUPXEM-WDEREUQCSA-N 366.464 1.677 0 40 FDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16637317 LSVDURQTNYAMHP-LBPRGKRZSA-N 358.460 1.629 0 40 FDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16638483 KCSPLBJPXGGGNF-UHFFFAOYSA-N 358.460 1.631 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17076405 HTSWKCQLFDXXHD-DNIRFERGSA-N 373.331 1.371 0 40 FDAB Cc1ccc(-c2cnc(NC(=O)c3cc(=O)n(C)c(=O)[nH]3)n2C)cc1C 19666192 BFDISKNLMVJNBJ-UHFFFAOYSA-N 353.382 1.343 0 40 FDAB Cc1nc(C)c(C(=O)N2CCc3nnc([C@H]4CCCCN4C)n3CC2)o1 19706314 KVSGGCKFAIJLMT-CQSZACIVSA-N 358.446 1.738 0 40 FDAB Cc1cccnc1CNC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O 19750557 VOEZESWRWMIDOG-UHFFFAOYSA-N 354.410 1.008 0 40 FDAB C[C@@H](NC(=O)Cn1cc(C(=O)NCc2ccccc2)ccc1=O)C1CC1 19751641 QQKCOKOIGYMMOL-CQSZACIVSA-N 353.422 1.693 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1C(=O)O 4410298 WAQUWHJCIHEJSC-LICLKQGHSA-N 361.379 1.656 0 40 FDAB C[C@]1(C(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC=CCC1 1614940754 VZEOOUGBPYJSGD-KRWDZBQOSA-N 370.515 1.633 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565546980 CTLLSOYRDRSDLJ-HXUWFJFHSA-N 366.421 1.289 0 40 FDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3cccnc3)cc21 5252430 RCDULCNCAPKEPP-UHFFFAOYSA-N 352.394 1.636 0 40 FDAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C 9571847 NYRWIXDAHACLBC-UHFFFAOYSA-N 372.356 1.272 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)N(C)Cc3ccccn3)C2)o1 2055759341 NGWFWXRKXNOAMS-FOIQADDNSA-N 369.421 1.730 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@](C(=O)NCC3CC3)(n3ccnc3)C2)o1 2055772590 ZJRAVRIPZHOLMA-IBGZPJMESA-N 356.426 1.942 0 40 FDAB Cn1cccc1[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 21154277 BHVRWHVCAILQEU-KRWDZBQOSA-N 367.446 1.516 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775972372 YBPLSEQKQRWMEE-UHFFFAOYSA-N 352.394 1.446 0 40 FDAB COc1nc(CNS(=O)(=O)c2cccc(Cl)c2C)nc(OC)n1 575605603 CGFPOOXCMZWMFM-UHFFFAOYSA-N 358.807 1.329 0 40 FDAB Cc1cnc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cn1 585502285 QZIMUJMQYADIJY-UHFFFAOYSA-N 353.426 1.383 0 40 FDAB Cn1cccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c1=O 575604950 IXOOYZIGCDFAEQ-FQEVSTJZSA-N 356.422 1.430 0 40 FDAB COc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1NS(C)(=O)=O 40062507 MYKDCUXIDHWLHH-UHFFFAOYSA-N 358.416 1.896 0 40 FDAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCO2 40039068 CXWCTTBZFTWDCG-AWEZNQCLSA-N 369.425 1.841 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102005638 WWDVLZKMJFIERE-OFQRWUPVSA-N 351.472 1.604 0 40 FDAB CC(=O)N1C[C@H](C(=O)O[C@@H](C(N)=O)c2ccccc2)Oc2ccccc21 21488240 DTNYNUGFCVXIGO-IAGOWNOFSA-N 354.362 1.570 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102337638 RAQGODYBPDFUIG-GASCZTMLSA-N 373.384 1.174 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)C1 33005329 MKLJYKIOGLTMOH-UKRRQHHQSA-N 350.415 1.836 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 6392214 TXOXZPIGFGMWIT-QXSJWSMHSA-N 364.829 1.867 0 40 FDAB Cn1c(=O)c2c(nc(N3CCCC3)n2Cc2ccccc2Cl)n(C)c1=O 629272 QKGCBEPKXQPKTN-UHFFFAOYSA-N 373.844 1.736 0 40 FDAB C[C@@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 57620432 IJORRUOJAUUQJY-CQSZACIVSA-N 361.467 1.344 0 40 FDAB Cc1cc(N)nc(SCC(=O)NC(=O)NCCc2cccs2)n1 9221059 YIIJOBFMOSADMK-UHFFFAOYSA-N 351.457 1.589 0 40 FDAB CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3015288 UNFKESKQADLFTP-UHFFFAOYSA-N 368.480 1.854 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 42669173 IDUPEKIGWIVZHG-AWEZNQCLSA-N 356.419 1.146 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3nccs3)CC2)cc1 54620994 IKZKZJKENDLBBQ-CQSZACIVSA-N 360.483 1.979 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 106060542 MKLDJEGVOUONAK-OWYFMNJBSA-N 358.504 1.368 0 40 FDAB CCOC(=O)COn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21 1304928 WPRIRGVNFFTTIQ-UHFFFAOYSA-N 370.361 1.302 0 40 FDAB O=C(NCCCN1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 20478871 MPJHLKDFKXDZBY-YJBOKZPZSA-N 361.467 1.095 0 40 FDAB Cc1ccccc1C[S@](=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 58196490 BKPVOKIWXGWPRR-AREMUKBSSA-N 374.462 1.821 0 40 FDAB COc1cc2oc(=O)c(CC(=O)NCCC(=O)O)c(C)c2cc1Cl 2120847 JXBGIIKDQFUWPW-UHFFFAOYSA-N 353.758 1.897 0 40 FDAB biogenic CCNc1nc(Cl)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1 2322882 KWDNTJYIBLKUHN-UHFFFAOYSA-N 357.761 1.498 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H](O)C2)sc(C(C)=O)c1C 3342786 VIZNFMFGITVDCB-LBPRGKRZSA-N 368.455 1.831 0 40 FDAB Cn1nc(C(=O)OCC(=O)Nc2cccc(F)c2)c2ccccc2c1=O 3304132 PLYFAJONDZQOOC-UHFFFAOYSA-N 355.325 1.868 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2cnccn2)CC1 11086949 UFMKRMSGQNTHHT-UHFFFAOYSA-N 367.331 1.006 0 40 FDAB COc1ccccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12887143 NZIJTNVPEPCMQV-UHFFFAOYSA-N 365.389 1.706 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 12919723 FKBCSZDXPQCZQE-HNNXBMFYSA-N 354.472 1.646 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)C[C@@H](C)O1 13148399 GTODZIATXSOLIM-OKILXGFUSA-N 351.447 1.657 0 40 FDAB Cc1ccn2c(=O)cc(COC(=O)c3cccc(S(C)(=O)=O)c3)nc2c1 18357576 VANCTIWDXPKZLN-UHFFFAOYSA-N 372.402 1.763 0 40 FDAB O=C1CCC(c2ccc(Br)cc2)=NN1[C@@H]1CCS(=O)(=O)C1 14095987 GDJIWNJVXJXNQY-GFCCVEGCSA-N 371.256 1.963 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CCCCC1 14158792 MCOQKMLIRLIASP-UHFFFAOYSA-N 366.483 1.904 0 40 FDAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccco1 6669956 QPENTZZACLJGOO-LBPRGKRZSA-N 353.382 1.864 0 40 FDAB COC(=O)/C=C1\N=C(Nc2nc(C)cc(C)n2)N(c2ccccc2)C1=O 4834822 PHGNDLWFBPEKOC-UVTDQMKNSA-N 351.366 1.965 0 40 FDAB Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 71279447 VEPVARCWQVAIKZ-NEPJUHHUSA-N 363.443 1.717 0 40 FDAB COc1ccccc1NC(=O)CSc1nnc(-n2nc(C)cc2C)n1N 7530376 GMMHIRYDWLZOLC-UHFFFAOYSA-N 373.442 1.534 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(c2nc3ccccc3s2)CC1 8366664 DEUICZVFSPVESI-UHFFFAOYSA-N 370.434 1.553 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCCN1CCCC1=O 8512582 DDQHUYVRJWKXAI-UHFFFAOYSA-N 372.252 1.852 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H]4CCCN4C3=O)c2C)no1 9762779 RFKASXIOYCURJE-AWEZNQCLSA-N 356.382 2.000 0 40 FDAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cn[nH]n1 72311714 NBRJQNJQWYJFRS-SFIVQVFOSA-N 359.474 1.778 0 40 FDAB COc1c(C)cc(CN(C)Cc2nc(CS(C)(=O)=O)no2)cc1C 72304880 DPIDLZBGLKMUKC-UHFFFAOYSA-N 353.444 1.872 0 40 FDAB C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@@H]1O 61997691 RLUORQGMBKDXPO-HAPGVSDASA-N 352.434 1.675 0 40 FDAB biogenic O=S(=O)(Cc1ccccc1CNCc1cscn1)N1CCOCC1 73647252 GTLSGHJVIUCFFL-UHFFFAOYSA-N 367.496 1.595 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 75104546 VWOBQRPMBHRDBA-CQSZACIVSA-N 365.430 1.770 0 40 FDAB COc1ccc(-c2nc(CNC(=O)[C@@H]3CCc4nnc(C)n4C3)no2)cc1 89740884 LXPVBYPWZVKKFY-CYBMUJFWSA-N 368.397 1.524 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 75612190 IDSPBXJYHPZVNY-ZBFHGGJFSA-N 364.442 1.894 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)COC)ccc1OCC 408585367 FRVYAPMEMBTGTE-NSHDSACASA-N 360.432 1.967 0 40 FDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408708558 KELGWTROYWSKSJ-UHFFFAOYSA-N 369.421 1.626 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(C(=O)O)c1 507619182 UUQCOVDWPQHCAH-UHFFFAOYSA-N 351.336 1.892 0 40 FDAB O=C(CCN1CCOCC1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 72390007 MBTUUQPHHXMJEO-OAHLLOKOSA-N 371.441 1.560 0 40 FDAB CCSc1nnc(NC(=O)Cn2nc(-c3ccncc3)ccc2=O)s1 56901060 CALRNEPSEIIAGM-UHFFFAOYSA-N 374.451 1.908 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)NCCc1ccc2c(c1)OCO2 39981775 DYBFHEYAPNFFOO-UHFFFAOYSA-N 354.362 1.500 0 40 FDAB COC(=O)C[C@@H](c1c(O)cc(C)[nH]c1=O)c1cc2ccccc2n(C)c1=O 72405163 RZKPQOIQMVJMIG-CYBMUJFWSA-N 368.389 1.936 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1F 226686798 ABFWHSUBQJWXTD-UHFFFAOYSA-N 353.375 1.489 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(N2CCOCC2)n1 49411105 XGQCOIKKYKGUGE-UHFFFAOYSA-N 362.817 1.680 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3c(c2)OCO3)cc1 224857721 RRNGYCCYOKBOFQ-UHFFFAOYSA-N 365.363 1.704 0 40 FDAB Cc1cnc(NC(=S)NCCN2CCOCC2)c(Br)c1 223891841 LLRWVDPMTWNIKB-UHFFFAOYSA-N 359.293 1.771 0 40 FDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)nn1 96074849 CEBWAWYGBUTIST-GOSISDBHSA-N 356.430 1.328 0 40 FDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3nnc4ccccn34)C2)n1 95473858 QQALEDLQFSKYKC-OAHLLOKOSA-N 365.441 1.669 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccco3)CC2)[C@@]2(CCN(C)C2=O)C1 96036401 FWLVIHDXICQMDA-IBGZPJMESA-N 359.426 1.213 0 40 FDAB CS(=O)(=O)NCc1ncn2c1CN(C(=O)C1CCCCC1)CCC2 96259440 VGUXIMFOKZJNPG-UHFFFAOYSA-N 354.476 1.245 0 40 FDAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)[C@H]2CCOC2)cc1 248048742 QGXAZGWKYFNUEX-XJKSGUPXSA-N 352.394 1.935 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 250676808 QEMDEGFSODTGJP-WBVHZDCISA-N 372.421 1.796 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)C 257312996 UQOLHTGCCOZIPX-QGZVFWFLSA-N 357.458 1.094 0 40 FDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)n1 257309439 UAYLKRMAIUKWEB-AWEZNQCLSA-N 357.366 1.476 0 40 FDAB CC(C)(C(=O)O)n1cc(NC(=O)C2CCN(c3cnccn3)CC2)cn1 262778165 IMWRKRSAAUGDJW-UHFFFAOYSA-N 358.402 1.348 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 643805915 UOTHABJJXABGDJ-HXUWFJFHSA-N 359.470 1.515 0 40 FDAB Cn1ncc(C(F)(F)F)c1C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 659160686 XRLWXGMRWCNQDV-UHFFFAOYSA-N 371.319 1.811 0 40 FDAB O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CC[C@H](OC(F)F)C1 606442737 OFUNRKZSLAIQGG-ZDUSSCGKSA-N 374.409 1.829 0 40 FDAB O=C(NCc1cnc(C(F)(F)F)nc1)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 663228623 FGCZVHMMXYOHOE-WDEREUQCSA-N 358.320 1.192 0 40 FDAB Cc1nnc([C@H]2CN(Cc3cnnn3Cc3ccccc3)C[C@@H](C)O2)o1 668650182 XQWOCDVPENZUGY-CXAGYDPISA-N 354.414 1.980 0 40 FDAB Cc1sc(C(N)=O)cc1NC(=O)c1ccnc(N2CCN(C)CC2)c1 676185000 XGNITVKQXFAAAR-UHFFFAOYSA-N 359.455 1.555 0 40 FDAB O=C(CCn1c(O)nc2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 604419777 ZOJQXNGYMQFKLE-XOBRGWDASA-N 371.437 1.646 0 40 FDAB Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cnn(CC(=O)O)c2)c1C 647744039 OJVQJGFTLJVJQD-UHFFFAOYSA-N 351.384 1.240 0 40 FDAB O=C(CC1CC1)NC[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575403217 GPPAKTCYBXQTSY-OAHLLOKOSA-N 358.438 1.930 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C1 575424203 SYTWEPCHTCMSTC-JKSUJKDBSA-N 367.448 1.040 0 40 FDAB C[C@@H](C(=O)OCC(=O)OCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 725421448 APGGNJLOKYOUBN-IUODEOHRSA-N 362.378 1.873 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)cn1 585111736 ACVLGZGAZMNMDT-HNNXBMFYSA-N 354.414 1.587 0 40 FDAB O=C(CN1CCCC1=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585284985 KYMQBQGZTFMJQS-CDHAZOANSA-N 350.390 1.083 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 585290952 YJKMATDAYVFFFU-XOFDQXTASA-N 370.453 1.874 0 40 FDAB Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)n[nH]1 585098278 SWTGQNWETHVKQV-AWEZNQCLSA-N 353.430 1.730 0 40 FDAB CCN1CCN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)CC1 56965501 FATXBNNPGPVIGM-UHFFFAOYSA-N 365.503 1.488 0 40 FDAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc(F)c(-n4nnnc4C)c3)C2)n[nH]1 517334286 GIJYJQVHBXWQAH-NSHDSACASA-N 371.380 1.558 0 40 FDAB O=C(O)CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 5570012 CYMGKIYLVZCIJI-VIFPVBQESA-N 366.189 1.045 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3sccc23)c1 5938611 BPYUVORZABZHMR-UHFFFAOYSA-N 364.408 1.356 0 40 FDAB Cc1cc(C(=O)N2CCC(c3nc(C)cc(N4CCOCC4)n3)CC2)on1 12142952 KNKNJWFRSPSKSS-UHFFFAOYSA-N 371.441 1.938 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccccc1 12146213 PNWMGWGDOBOYKS-GOSISDBHSA-N 363.417 1.954 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3cnccn3)C2)cnn1C(F)F 12252713 YALYGLPNDGJEBO-LLVKDONJSA-N 357.386 1.945 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c1 16187722 UFHCJNXFBRJJSE-UHFFFAOYSA-N 356.444 1.383 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16194371 KHDSJWJHNVFHQW-UHFFFAOYSA-N 356.444 1.049 0 40 FDAB CC1CCN(c2nc([C@H]3CC(=O)N(Cc4ccccn4)C3)cc(=O)[nH]2)CC1 19497041 RQNBUTQGCXQWMC-HNNXBMFYSA-N 367.453 1.917 0 40 FDAB C[C@H](CN1CCOCC1)NC(=O)CCc1nc2cc(Cl)ccc2n1C 19714212 GHOWWKMSBXCGBQ-CYBMUJFWSA-N 364.877 1.996 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c(O)n1 643550965 AHLBZKNGSXKKMZ-WRWLIDTKSA-N 354.406 1.855 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1C 653496914 LHJRBGCJNIYRJK-CQSZACIVSA-N 364.423 1.681 0 40 FDAB CCc1c(C)ncnc1N1CCN(c2nc3ccccc3c(=O)n2C)CC1 1888878961 PPAICRDFJTZGHI-UHFFFAOYSA-N 364.453 1.921 0 40 FDAB COc1ccnc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n1 1888897331 AXYDZNDUDFJCBP-UHFFFAOYSA-N 364.409 1.974 0 40 FDAB COc1ccccc1OCC(=O)NCCn1ccc(-c2cnccn2)n1 240178515 YYEZSXVIUCTUHA-UHFFFAOYSA-N 353.382 1.544 0 40 FDAB Cc1nc(C2CCOCC2)cc(N2CCN(Cc3nnc(C)o3)CC2)n1 2086962028 PCEKUDYEKRNTQD-UHFFFAOYSA-N 358.446 1.693 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1F 10594611 KJGXNWQWEGJIAP-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB O=C(c1ccco1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 23135438 CNWIIGANUJZGAT-UHFFFAOYSA-N 364.365 1.940 0 40 FDAB NC(=O)c1cc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)ccn1 2298041642 VYJNYSLHTFLRIF-LBPRGKRZSA-N 352.385 1.655 0 40 FDAB COc1ccccc1CNC(=O)c1nnn(Cc2ccc(F)cc2)c1N 4852318 TZXHZTUNQVQMHK-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCC2)CC1 23250615 YKKRUMOIVPKLQR-KRWDZBQOSA-N 358.486 1.562 0 40 FDAB C[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)N1CCCC1 40081952 UWYUZQKWMLXEQY-INIZCTEOSA-N 370.453 1.536 0 40 FDAB CC(=O)N[C@H](CC(=O)NCCC(=O)Nc1ccccn1)c1cccs1 40105349 ZHKBVAODTYNYAW-CYBMUJFWSA-N 360.439 1.855 0 40 FDAB CC(C)(CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)N1CCOCC1 40267999 DINMFRBZDILESY-UHFFFAOYSA-N 374.363 1.266 0 40 FDAB O=C(Cn1cnc2ccsc2c1=O)N1CCN(c2ccccn2)CC1 31789198 PEQCMSLWBIRXNQ-UHFFFAOYSA-N 355.423 1.202 0 40 FDAB O=C1S/C(=C/c2ccc(OCCO)cc2)C(=O)N1CN1CCOCC1 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362.466 1.782 0 40 FDAB NC(=O)C(=O)c1cn(CC(=O)NCCOc2ccccc2)c2ccccc12 408571093 NLMIZVPEBSTQMC-UHFFFAOYSA-N 365.389 1.505 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)/C=C/c1cccs1)C2 306136027 PGXFOXGIOLZZAR-IHVVCDCBSA-N 370.496 1.318 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)c1cnc2ccccn2c1=O 32899927 WPLODGPJHVZWDU-UHFFFAOYSA-N 350.378 1.625 0 40 FDAB CCCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32817783 CVCAMZSVLSTDHJ-UHFFFAOYSA-N 374.459 1.237 0 40 FDAB CC(=O)N[C@H](CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31612005 LRZHUSPQUMXRDV-UONOGXRCSA-N 358.847 1.211 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)CC1 32096429 MMJTXCZLDLVMDA-UHFFFAOYSA-N 367.858 1.848 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@](O)(c2cccs2)C2CC2)CC1 77173599 RQZDYQDLDFCERI-MRXNPFEDSA-N 372.512 1.134 0 40 FDAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCOCC1 49093323 YMEMRRBCWRPYKE-UHFFFAOYSA-N 358.364 1.081 0 40 FDAB C[C@H]1CN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)C[C@@H](C)N1CCO 571021321 RJBAWCORPXHSFB-FDFVQJQPSA-N 350.381 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FDAB COC(=O)c1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1 33324532 BXYJFXIQMMXVJU-UHFFFAOYSA-N 364.361 1.731 0 40 FDAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 8160960 GONBZKGAEPAHLF-OAHLLOKOSA-N 359.407 1.386 0 40 FDAB O=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccc2O)CC1 46810498 CGFLGZYZEAIAEI-UHFFFAOYSA-N 350.378 1.363 0 40 FDAB C[C@@H]1[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCC[C@H]1C 104262963 LGPIWWNSWVIXLV-RYRKJORJSA-N 369.465 1.999 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccnn2C)c1 23193541 AAHDSTQIVSLAHT-UHFFFAOYSA-N 350.444 1.381 0 40 FDAB CC1CCC(N(C)C(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 24243403 NDBZBAORINZUPK-PQUAAJSLSA-N 364.534 1.308 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102592228 QCUPPTXXHCVMAC-ZJMHZOEWSA-N 352.390 1.687 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1 106795745 IOXCXVRWFTUMSY-MRXNPFEDSA-N 359.403 1.742 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1OCC(=O)NC1CC1 56175207 YYZATNDQLLBMKW-ZDUSSCGKSA-N 361.442 1.775 0 40 FDAB CN1CCN([C@@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)CC1 26779976 YXLQXNFQHITSNL-WDEREUQCSA-N 374.696 1.835 0 40 FDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)C1=NN(C)C(=O)CC1 58224457 ONSPSOJXLKQLNP-UHFFFAOYSA-N 351.790 1.450 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccn(CCc2ccncc2)n1 58201557 ZSJHJMDCQVEUGT-UHFFFAOYSA-N 374.408 1.813 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Cc3ccccc3O)CC2)C1 58244847 MCXPVBVMLBBWNL-IAGOWNOFSA-N 373.497 1.583 0 40 FDAB CCNC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(F)(F)F 58209187 HIIIZDCHQGALNG-VIFPVBQESA-N 367.397 1.294 0 40 FDAB CCCn1c(S[C@@H](CCO)C(=O)O)nc2cc(S(N)(=O)=O)ccc21 12628275 HXRYHHUZFXUWFS-LBPRGKRZSA-N 373.456 1.021 0 40 FDAB O=C1CN(c2ccc(NC(=O)N3CCC[C@H](N4CCCC4)C3)cc2)CCN1 58357805 AIBMWXZVINRAQT-SFHVURJKSA-N 371.485 1.715 0 40 FDAB CCCN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)CC1 36383954 VORFCNZFGWCNRT-UHFFFAOYSA-N 355.460 1.370 0 40 FDAB COCCOc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cn1 48367319 DRWGMSRQIMSHCM-CXAGYDPISA-N 365.455 1.177 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCCO3)cc1 12995646 AMAIWWUDNPFELS-UHFFFAOYSA-N 370.405 1.903 0 40 FDAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 17300206 HYEAJPBOPCOEBU-UHFFFAOYSA-N 368.455 1.383 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 306130809 JQANFGNCBFRQHD-UMVBOHGHSA-N 359.455 1.118 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncn1C 5126687 DAJFKSMGAIEJBR-UHFFFAOYSA-N 369.472 1.105 0 40 FDAB CC1(C)C[C@@H]1C(=O)N/C(=C/CCCCSC[C@H](N)C(=O)O)C(=O)O 13831255 DHSUYTOATWAVLW-HPTVMLIKSA-N 358.460 1.433 0 40 FDAB Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 13810844 TWDLOXYMNAZNLF-UHFFFAOYSA-N 353.426 1.419 0 40 FDAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCNC(=O)C3)c2C)cc1 39996854 NNXAKTAYEHHDIN-CMDGGOBGSA-N 352.438 1.828 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 18174949 VJPQXXSBUBPQDB-UHFFFAOYSA-N 374.466 1.684 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 4502181 OWBYOMXQYJRXOI-QMMMGPOBSA-N 354.193 1.865 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2C[C@H](CCNS(C)(=O)=O)C1 306144358 ZDIYKBVAZXSZRG-CQSZACIVSA-N 367.475 1.059 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CN(C)Cc2ccccc2C)c2ccccc2O1 9053968 XHNWTBHVQZODMG-IBGZPJMESA-N 367.449 1.967 0 40 FDAB Cc1noc(C)c1C[C@@H](C)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 96005424 SDMWCSUOBACCRG-LLVKDONJSA-N 369.487 1.543 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)c1cncn1-c1ccc(F)cc1 9834026 CEQHSPWEIPDLCE-UHFFFAOYSA-N 356.357 1.993 0 40 FDAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Cc1nc2nc(C)cc(C)n2n1 88269429 LLIBAXAQNKJXQX-UONOGXRCSA-N 359.430 1.522 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 89505731 RRTMQMGHMADQJH-QUCCMNQESA-N 370.497 1.579 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)C(=O)c2cn(C)nc23)cs1 306135388 OPMKRKFVRGDQOQ-UHFFFAOYSA-N 359.455 1.445 0 40 FDAB CN(CC(=O)NCCCOC1CCCC1)S(=O)(=O)c1ccccc1 61255651 ZLEYDNZYLGOPIB-UHFFFAOYSA-N 354.472 1.773 0 40 FDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCc2ccccc2C1 33727846 HKPUMCZXHUTWKR-VBKFSLOCSA-N 351.362 1.800 0 40 FDAB COc1ccc(CC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1 70655659 GBDMAGKJHMQPKR-UHFFFAOYSA-N 372.425 1.484 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c1 32647400 FPBCOWNGUKAIJV-UHFFFAOYSA-N 357.370 1.094 0 40 FDAB CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C(C)(C)C)O2)no1 77262433 OUDYAARWPPFEMY-CWRNSKLLSA-N 353.463 1.350 0 40 FDAB biogenic,in-vitro COc1ccc(CNC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1 238895168 QYYLSUFJIMLRJR-IAGOWNOFSA-N 369.421 1.540 0 40 FDAB C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCOCC1 226754862 PKUFVYBMILTCHH-SNVBAGLBSA-N 368.231 1.962 0 40 FDAB CN(C)S(=O)(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 225963574 HXUMVSAJCHNRHL-UHFFFAOYSA-N 361.467 1.630 0 40 FDAB CCOCCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224463944 ZOVKCTFKQKCJKF-UHFFFAOYSA-N 372.487 1.784 0 40 FDAB COc1ccc(Br)cc1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C 193818885 QCJKQSAURDBGTK-RNCFNFMXSA-N 370.247 1.782 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(=O)OC)c2)s1 224830561 WQLJPHYSXRHVGR-UHFFFAOYSA-N 370.412 1.474 0 40 FDAB C[C@H](NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)c1ccnc(O)c1 576970618 NQXKFXQGQOFKDF-BUXKBTBVSA-N 355.394 1.371 0 40 FDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(CCc1ccccc1)CC2 96216612 GDXYRAMREIYKFU-QGZVFWFLSA-N 352.500 1.649 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccco2)n(C)n1 248077307 ZNJNFPRTPKZIQE-OAHLLOKOSA-N 358.442 1.733 0 40 FDAB COCCCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2cccnc2N1 253597047 ZJKMGFUADCBVHZ-NNSOFZPJSA-N 372.469 1.912 0 40 FDAB Cc1cc(N2C(=O)OC[C@H]2C)nc(C2CCN(S(C)(=O)=O)CC2)n1 257241047 HWJWPSRJQKJLEB-LLVKDONJSA-N 354.432 1.269 0 40 FDAB COc1cccc(Cc2cnc([C@H]3CCN(S(=O)(=O)N(C)C)C3)o2)c1 257209731 BRRFXMBOVIQSOK-AWEZNQCLSA-N 365.455 1.870 0 40 FDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 257288913 PWEUXSBHYICRGZ-OAQYLSRUSA-N 357.498 1.390 0 40 FDAB Cn1cnc2cncc(C(=O)N3CCC([C@@H]4CC[C@H](C(=O)O)O4)CC3)c21 1775958291 PCJMBYPNVQMAEC-LSDHHAIUSA-N 358.398 1.453 0 40 FDAB COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640875453 YLVNHMXNYGKILU-OAGGEKHMSA-N 352.862 1.995 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cnn(-c3ccccc3)c2C)C1 644033235 OGGRFWNHWXDGNN-LJQANCHMSA-N 356.426 1.284 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc(Cl)sc1Cl 1616045020 UFZUIHBZOUVYND-SFYZADRCSA-N 373.283 1.666 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](C2CCCCC2)C1 680416009 BQCPMYIRRJZAOF-HOTGVXAUSA-N 358.504 1.608 0 40 FDAB O=C(NCCn1ccnc1-c1ncccn1)Nc1ccc2c(c1)OCO2 96103933 NLGLUKWCJXALII-UHFFFAOYSA-N 352.354 1.891 0 40 FDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)C1 96365301 ICJYIUZQAMQDHS-LBPRGKRZSA-N 371.402 1.654 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 585282995 LTPLZOKJFRPJLS-FQEVSTJZSA-N 372.396 1.991 0 40 FDAB O=C(OCc1ccccc1)N1CCOCCNCCOCCOCC1 584906338 WAWXKEHYXGZSNR-UHFFFAOYSA-N 352.431 1.278 0 40 FDAB COc1ccc(CN2CCc3oc(C(=O)N4CC[C@@H](OC)C4)nc3C2)nc1 585112472 PYMPJHVHKCOMGM-OAHLLOKOSA-N 372.425 1.497 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)CCc3ccc(C)cc3C)C2)C1 685942898 SPNHDIKTSZIKOH-MRXNPFEDSA-N 357.454 1.041 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCC[C@H](c4ccnn4C)C3)[nH]2)CC1 685942835 WTBGHCAWFUVEFH-HNNXBMFYSA-N 356.474 1.972 0 40 FDAB CN1N=C(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)CCC1=O 60319779 OXZMQHPVXZWLAS-UHFFFAOYSA-N 352.435 1.358 0 40 FDAB CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1O 5386059 WMHXMNUIYVIEAL-VIFPVBQESA-N 361.379 1.396 0 40 FDAB COc1ccccc1NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc2[S@@]1=O 5824036 ZXVIFYTUOVPUQV-ODCWNRFASA-N 358.375 1.331 0 40 FDAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cn1cncn1)c1ccccc1O2 12326313 GULKPFPMTCMBQP-HNAYVOBHSA-N 369.425 1.299 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[nH]c1=O 13582089 CVAKXESPQPZQBB-UHFFFAOYSA-N 351.771 1.671 0 40 FDAB COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 19446091 YENWSLMVIZNSGK-XLPNERPQSA-N 360.410 1.138 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19501984 ZHTHIOFSQYRLSB-WZTLGTBRSA-N 364.829 1.927 0 40 FDAB CCn1cc(CN2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cn1 19524977 SECLHXPOJJEVEY-UHFFFAOYSA-N 362.499 1.859 0 40 FDAB COc1ccc(/C=C/C(=O)NC(=S)Nn2c(C)nnc2SC)cc1 6320444 MUBGRBHIAWFKGV-RMKNXTFCSA-N 363.468 1.975 0 40 FDAB COc1cc(C(=O)OC[C@@H]2COC(=O)O2)ccc1OC[C@H]1COC(=O)O1 627276245 POWPBPYJLQWUSG-WDEREUQCSA-N 368.294 1.302 0 40 FDAB CN(C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1)S(=O)(=O)C1CC1 1888876345 KEZCDWAWDOXAJH-UHFFFAOYSA-N 362.430 1.895 0 40 FDAB Cc1cc(=O)n(CC(=O)N2CCC(COc3ccncc3C)CC2)cn1 1889136096 IKDBEBOLCSLCLC-UHFFFAOYSA-N 356.426 1.573 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)n1 1565543226 MBFMAAKXYPZUTO-LJQANCHMSA-N 369.425 1.357 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4csnn4)C[C@H]32)CC1 1565547580 LOCHUKXZHWKESA-JSGCOSHPSA-N 370.482 1.976 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1-n1cnnn1 6667984 GFBDKURKSRSNIN-YNEHKIRRSA-N 363.443 1.385 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccc(F)c1 9571275 RHGUUHXFPFDAOU-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cccc3[nH]ccc23)CC1 2055746033 BXVDYARNWGALGY-UHFFFAOYSA-N 366.469 1.516 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(C(=O)C3CC3)C2)C1 2055835196 GIVOCSIWDFIYKZ-IBGZPJMESA-N 356.426 1.588 0 40 FDAB O=c1cc(N2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)nc2ccccn12 2086866209 RSMSINJMHYYDFB-OKILXGFUSA-N 351.385 1.801 0 40 FDAB CCOC(=O)c1cnc(NC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)s1 585150572 SIYRANRZWKXXAA-VIFPVBQESA-N 362.411 1.565 0 40 FDAB O=C(NCCNc1cc(-n2cccc2)ncn1)c1ccc2c(c1)OCO2 75172254 NVBYYZNIGATFKY-UHFFFAOYSA-N 351.366 1.838 0 40 FDAB Cc1nn(-c2ccccn2)c2ncc(C(=O)NCC(=O)NC(C)(C)C)cc12 40090028 UZKFKROMWXTLNM-UHFFFAOYSA-N 366.425 1.768 0 40 FDAB CCN(CC)C(=O)N1CCN(CN2C(=O)CN(c3ccccc3)C2=O)CC1 40149272 JUARJKHOIMEVNV-UHFFFAOYSA-N 373.457 1.492 0 40 FDAB COc1cccc(CN(C)C(=O)CCn2nnc3ccccc3c2=O)c1 32193646 RXYZUORESSPPHV-UHFFFAOYSA-N 352.394 1.849 0 40 FDAB CC(C)=CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 20745180 ZYNDTMGDWXJDFX-MRXNPFEDSA-N 355.438 1.677 0 40 FDAB CN(C)S(=O)(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1 32825349 FXCLRZIWJKRFGB-UHFFFAOYSA-N 352.435 1.298 0 40 FDAB Cc1ccccc1CN1CCN(C(=O)c2cccnc2-n2cncn2)CC1 29921377 FLGHMVNGHWRKEJ-UHFFFAOYSA-N 362.437 1.929 0 40 FDAB COc1ccc(Br)cc1[C@@H]1C(C(N)=O)=C(C)N=C2N=NNN21 936943 DFSNUSSLXFTYKY-LLVKDONJSA-N 365.191 1.815 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 79318674 QLHLGLHSXVDDBZ-ZWKOTPCHSA-N 364.511 1.758 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 2736244 JEOLWQPVXWMWMG-QPNXVFALSA-N 373.361 1.721 0 40 FDAB CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 4875336 BSDNCQDSNWIWDM-QGZVFWFLSA-N 356.474 1.810 0 40 FDAB CSCc1nnc(SCC(=O)NCC(C)(C)N2CCOCC2)o1 22094642 FJJYYVINGBHAKF-UHFFFAOYSA-N 360.505 1.252 0 40 FDAB Cc1ccc2nc(COC(=O)CNC(=O)COc3ccccc3)cn2c1 8460029 WBMXOPLDIRVLOH-UHFFFAOYSA-N 353.378 1.881 0 40 FDAB C[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 46951110 XUYKHSZGJCPFLR-HIFRSBDPSA-N 356.513 1.548 0 40 FDAB COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1 812578 VKPLBOPLYIVTRL-UHFFFAOYSA-N 363.351 1.523 0 40 FDAB aggregator O=C1CN(C(=O)c2cc(O)c(OCc3cccc(Cl)c3)cn2)CCN1 61722088 ASASNIGGHOGSOM-UHFFFAOYSA-N 361.785 1.592 0 40 FDAB CS(=O)(=O)CCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 47696766 QSWMAYQEEIFDOX-HNNXBMFYSA-N 374.462 1.744 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2nccs2)CC1 55122028 AWCBWJKSRIDEMV-UHFFFAOYSA-N 366.468 1.477 0 40 FDAB CCNC(=S)N1CCN(c2nc(C(C)C)nc3c(C)nn(C)c23)CC1 28559498 ZIWWBLRDWKWFFP-UHFFFAOYSA-N 361.519 1.812 0 40 FDAB CC(=O)N1CCN(CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 58178235 JYOOFOVYMKDXRZ-UHFFFAOYSA-N 367.515 1.363 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58247797 QQAYDWKOGLGLOP-ROUUACIJSA-N 371.441 1.391 0 40 FDAB Cc1ccc(NC(=O)C2CCN(CC(=O)NC(=O)NC3CC3)CC2)nc1 58343475 KHKJGPGUEXINMR-UHFFFAOYSA-N 359.430 1.029 0 40 FDAB Cc1cnc2c(S(=O)(=O)N3CCN(c4cnccn4)CC3)cccc2c1 28057557 ZTROXKFUWGGHOJ-UHFFFAOYSA-N 369.450 1.844 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022827 HQGLQIHGUGXLHH-AWEZNQCLSA-N 352.398 1.788 0 40 FDAB O=C(N[C@H](N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccccc1 28294275 DLZLVYBSRRTICU-WMZOPIPTSA-N 372.446 1.402 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 3371079 YPNOGXJVRXPISI-UHFFFAOYSA-N 368.798 1.783 0 40 FDAB O=C(CNS(=O)(=O)Cc1ccccc1)NCc1ccc2c(c1)OCO2 12935378 SDYZQPXXEBDQTJ-UHFFFAOYSA-N 362.407 1.151 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccccc1F 12901727 PMMQBDXMMOXZSR-UHFFFAOYSA-N 368.368 1.451 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)ccc21 13306945 GLWIEHDUUVTSOS-HNNXBMFYSA-N 352.412 1.223 0 40 FDAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)N1CCOCC1 4081636 MUKKACSUTKWROH-GTNSWQLSSA-N 364.423 1.132 0 40 FDAB biogenic O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(c2ncccn2)CC1 17299202 TYYGCCBATKADAR-AWEZNQCLSA-N 371.466 1.492 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)c(=O)oc2c1 13623813 YBUVQKFUGKSYNX-LLVKDONJSA-N 363.391 1.085 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cn2ccc(C)cc2n1)c1ccccc1 5165638 WIMMTVQXLRRCQR-INIZCTEOSA-N 366.377 1.996 0 40 FDAB NC(=O)[C@H]1CN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCO1 65263529 PDFAIXDRACJDKS-IAGOWNOFSA-N 357.385 1.692 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 4475869 HUOVFTMQCBZIAH-HXUWFJFHSA-N 367.405 1.779 0 40 FDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)COc1ccc(OC)cc1 65575560 KGBKAQJJEOLKEQ-OAHLLOKOSA-N 352.456 1.844 0 40 FDAB Cn1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 14140868 YSSANODKLBMYEE-ZDUSSCGKSA-N 352.391 1.351 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC(C)CC3)C2=O)cc1 14120004 OPQLIMGYFHMOSS-LJQANCHMSA-N 374.441 1.225 0 40 FDAB COc1ccc(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 14199874 KTXIHWWXIWIZBO-CHWSQXEVSA-N 358.460 1.190 0 40 FDAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 4505315 ODCHVKHAWWRKHE-CYBMUJFWSA-N 361.485 1.673 0 40 FDAB Cn1c(=O)n(CCC(=O)N2CCN(c3nccs3)CC2)c2ccccc21 14350769 SECSICWETRYWHH-UHFFFAOYSA-N 371.466 1.535 0 40 FDAB COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 5558993 BSOQQWLMYGZOQB-MFZJUKSHSA-N 369.373 1.526 0 40 FDAB biogenic O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)NCCc1ccccc1 6840229 DPAAJOYJXPNNFD-UHFFFAOYSA-N 363.417 1.417 0 40 FDAB COc1cc(CNCCCSc2nnnn2C)cc(OC)c1OC 4993824 KNUIDONZDLZSHB-UHFFFAOYSA-N 353.448 1.508 0 40 FDAB NC(=O)c1ccsc1NC(=O)CSc1nnc2n1CCCCC2 8133315 DWVLYWOVVIZHQP-UHFFFAOYSA-N 351.457 1.896 0 40 FDAB C[C@H](O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 96003344 VTQJIWSSCFKIHY-PMIASWJSSA-N 352.456 1.196 0 40 FDAB CC1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)CC1 19796879 QVGUTDFEOFKXIU-HOTGVXAUSA-N 357.497 1.358 0 40 FDAB O=S1(=O)C[C@H](N2CCCC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797215 LXXMMNNDYMGFDR-KBPBESRZSA-N 363.888 1.375 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 19797432 FRTRPPIZTOZWBT-NSHDSACASA-N 372.830 1.315 0 40 FDAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccco1 19991076 JSWCRKSAXNTSFB-IBGZPJMESA-N 356.378 1.377 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)no1 306133851 MXVCBIPZHXPLED-HNNXBMFYSA-N 365.459 1.208 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)cc1 95462101 GAEODWLIRXILOU-LLVKDONJSA-N 355.334 1.407 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 9961985 RPVFTKMIWIIIQP-UHFFFAOYSA-N 365.499 1.730 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408654779 KNQZXUQNMVMLKU-BEYOIGNWSA-N 373.361 1.153 0 40 FDAB O=C(C1CC1)N1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306138922 SKVIHDNCDUKQAM-OAHLLOKOSA-N 355.442 1.682 0 40 FDAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(NC(C)=O)c2)c1C 524733565 WETHRZNKZQYAJD-UHFFFAOYSA-N 373.409 1.779 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 34871958 MHUYISNYFMSHLZ-CYBMUJFWSA-N 359.517 1.215 0 40 FDAB NC[C@@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218156357 ZDHSECTWLXIEPS-FGTMMUONSA-N 361.419 1.292 0 40 FDAB NC(=O)c1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccn1 131140239 AZMQBJHWUDKBCM-UHFFFAOYSA-N 351.332 1.921 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2ccsc2)no1 40153541 BJYBSPLNTDLUBN-GFCCVEGCSA-N 356.473 1.702 0 40 FDAB COc1ccc(O[C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nn1 225436124 INYFXVVOTGQYDE-LBPRGKRZSA-N 370.365 1.073 0 40 FDAB Cc1nn2c(nnc3c(=O)n(NC(N)=S)ccc32)c1-c1ccccc1 40391049 RBSVDKLRIXFXKS-UHFFFAOYSA-N 351.395 1.202 0 40 FDAB COc1ccc(C(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 85436093 JUHVTTOHWCFRPE-MRXNPFEDSA-N 359.426 1.436 0 40 FDAB biogenic,in-vitro COc1ccc(-c2csc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)n2)cc1 44441056 RJFXNEPIJCKAPW-UHFFFAOYSA-N 372.406 1.685 0 40 FDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 333132356 WZFGCTPZYIZCCG-RCCFBDPRSA-N 370.449 1.937 0 40 FDAB O=C(c1ccncc1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061757 TWGYBAUNPZINLW-LLGFUMIMSA-N 360.417 1.879 0 40 FDAB CS(=O)(=O)[C@](Br)(I)[C@H](O)C1CC1 96521067 CBFODURESBYQGA-PHDIDXHHSA-N 369.018 1.286 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)N(C)C)C2 97952804 OYEZREYIVAUQLI-IBGZPJMESA-N 359.474 1.119 0 40 FDAB O=C(Cc1ccccn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109007 WHGPGQFUUJHKDM-UZLBHIALSA-N 353.422 1.711 0 40 FDAB COc1cccc(CN2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)c1 247865288 ARNMWWBBDMZZLX-GOSISDBHSA-N 374.481 1.925 0 40 FDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)n1 248149696 SVAJNRJEPCMLTA-MRXNPFEDSA-N 356.426 1.653 0 40 FDAB CC(C)n1nccc1-c1cnc([C@@H]2CCCN2S(=O)(=O)N(C)C)cn1 257278687 ODFZGPNJQVGLCY-HNNXBMFYSA-N 364.475 1.864 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC(c3ccn4nccc4n3)CC2)CC1 257227952 FRSUSAGRPKLKBG-UHFFFAOYSA-N 357.458 1.282 0 40 FDAB Cc1ccc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)nc1 253601730 DNCLPXIIJMLBMW-HNNXBMFYSA-N 364.467 1.446 0 40 FDAB COc1nc(OC)nc(N2CCC[C@H]2c2cccc(CNC(C)=O)n2)n1 257272337 NCAUOELJJUQVTO-AWEZNQCLSA-N 358.402 1.261 0 40 FDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NCCCN(C)C)cc2NC1=O 252496570 PLRSPILPBDCOOO-MRXNPFEDSA-N 369.487 1.806 0 40 FDAB C[C@]1(O)CN(C(=O)Cn2nnc3ccccc32)CC[C@@H]1Oc1ccccc1 257251898 JSTVKYQIEMNZHD-ICSRJNTNSA-N 366.421 1.862 0 40 FDAB O=C(CCc1ccc(C(=O)O)cc1)N[C@H]1CCN(C2CCOCC2)C1=O 630262346 LIYRZSWUTMVTSG-INIZCTEOSA-N 360.410 1.214 0 40 FDAB CCn1cc(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 631458532 RVHWCKJZQXWADJ-WBVHZDCISA-N 354.454 1.970 0 40 FDAB COc1cccc([C@@H](C(=O)O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 634692484 BRGANSKPJYNUTG-BBRMVZONSA-N 370.471 1.424 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1 643720762 MOWLPFFAPNNFTO-LJQANCHMSA-N 355.442 1.623 0 40 FDAB O=C([C@H]1Cc2ccccc2O1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575402945 FYAPWWUIVHUWIL-NVXWUHKLSA-N 367.405 1.619 0 40 FDAB Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@H]2C)n[nH]1 585097573 MCCDHWJPGSZYER-CQSZACIVSA-N 353.430 1.730 0 40 FDAB Cc1cccc(C[C@H]2CCN(C(=O)/C=C/CN3CCOCC3)C[C@H]2O)c1 585291137 KOGJYLZXJQRQBB-NQWKQXNDSA-N 358.482 1.635 0 40 FDAB CN(C)[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 599310453 ZQRHJZAKWUJDEJ-LSDHHAIUSA-N 373.906 1.483 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cn(C)c3ccccc23)NC(=O)N[C@@H]1C 5261551 ZJANFAMSQNMYLH-LLVKDONJSA-N 371.393 1.854 0 40 FDAB Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O 12602157 OXISCWNJCVOSOZ-XHSDSOJGSA-N 366.531 1.805 0 40 FDAB biogenic,in-vitro CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(CC)CC1 19501935 COHOEXQJVRXWGX-INIZCTEOSA-N 372.473 1.929 0 40 FDAB Cc1c(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cnn1C 19553160 LXTMZPFTILNWFI-AWEZNQCLSA-N 364.409 1.504 0 40 FDAB CN1c2ccc(NS(=O)(=O)CCC(F)(F)F)cc2N(C)S1(=O)=O 390832084 XCJFNIZAPGWJAT-UHFFFAOYSA-N 373.378 1.512 0 40 FDAB COc1ccc(OCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24688857 GBXCUUSCBKLFRD-CYBMUJFWSA-N 356.444 1.004 0 40 FDAB NC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2ncnc3[nH]cnc23)C1 2037844571 XLRYMFATLBNWBE-SFHVURJKSA-N 366.429 1.238 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@@H]2CCOC2)nc1 252537513 LMGSFRPTVCOLOW-CYBMUJFWSA-N 351.403 1.504 0 40 FDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)Cc1ccc(F)cn1)CC2 1614932578 LRGFQCUQKFCMCS-IBGZPJMESA-N 363.433 1.783 0 40 FDAB O=C(c1csnn1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 1614933504 GSJLEQMHHLIMKG-KRWDZBQOSA-N 357.439 1.588 0 40 FDAB CN(C)C(=O)COC[C@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 1565556799 WNGYFDKLRPNLKM-CQSZACIVSA-N 374.428 1.534 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565554652 WXEIJRGGQNNQJN-HOTGVXAUSA-N 365.437 1.037 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4csnn4)C[C@H]32)CC1 1565547581 LOCHUKXZHWKESA-OCCSQVGLSA-N 370.482 1.976 0 40 FDAB Cc1nc(C(=O)N2CCc3c(COCC(=O)N(C)C)cncc3C2)cs1 1565551438 QIDNMSPJRLMWIS-UHFFFAOYSA-N 374.466 1.650 0 40 FDAB O=C(N1CCO[C@@H]2C[C@H](COCCN3CCCC3)C[C@H]21)C1(F)CCC1 1565549114 LUHYOUVYIURNOS-BRWVUGGUSA-N 354.466 1.997 0 40 FDAB O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 709925 GTYPLIRTHXRNOY-UHFFFAOYSA-N 367.448 1.540 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)NCCCN(C)C)CC2=O)cc1OC 4479802 YPCVHVQMDVLQBJ-CYBMUJFWSA-N 364.446 1.060 0 40 FDAB COc1ccc(CCNC(=O)NCc2nnnn2-c2cccc(F)c2)cc1 9616039 UYSZALRQTITDPY-UHFFFAOYSA-N 370.388 1.852 0 40 FDAB CC(C)NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767915 KHCUCZVEWNMSSB-UHFFFAOYSA-N 351.410 1.984 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccnc1-c1cnccn1 575610226 URVPMDBMUHJJJB-UHFFFAOYSA-N 364.365 1.064 0 40 FDAB O=C1[C@H]2C[C@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 585387408 QWRRVZZOFQZTRK-TXEJJXNPSA-N 374.340 1.083 0 40 FDAB COc1ccccc1CN1CC[C@@H](c2nn(CCN)c3nccnc23)C1 19570040 VGQXWXNINCWXSM-OAHLLOKOSA-N 352.442 1.783 0 40 FDAB COC(=O)CC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)OC 32069617 KFLVRJSTKKVMSK-LSDHHAIUSA-N 364.398 1.264 0 40 FDAB COCCNC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 32094694 UTNKRXWVEJDDBI-UHFFFAOYSA-N 352.337 1.999 0 40 FDAB O=C(Cn1ccc2cc(Br)ccc21)N[C@@H]1C=CS(=O)(=O)C1 20722342 SXUCLHLYQYBSCZ-GFCCVEGCSA-N 369.240 1.831 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C)cc2OC)c2ccccc2O1 29767509 FQPGVRFAPYDADB-GOSISDBHSA-N 370.405 1.923 0 40 FDAB O=C1CN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CCN1 46317303 CQOFARAOTMFPRS-UHFFFAOYSA-N 353.357 1.374 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 102699532 MEACFAGMDIVMDW-BETUJISGSA-N 364.409 1.957 0 40 FDAB Cc1cc(NC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n(C)n1 52797096 ZXJAIZSLHICNIR-UHFFFAOYSA-N 357.414 1.774 0 40 FDAB Cc1ccc(SCC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 22302348 SIIKCTBXGDDERK-ZDUSSCGKSA-N 371.480 1.276 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 22409466 MHYKBUPZBGVZPS-UHFFFAOYSA-N 352.437 1.081 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)NC[C@H](C(CC)CC)N1CCOCC1 58440492 QXYOAVOKAPYNGW-GDBMZVCRSA-N 356.511 1.337 0 40 FDAB O=S(=O)(NC[C@H]1CCCO1)c1cnc(Cl)c(Br)c1 703780 ZPULEELXLKAJLW-SSDOTTSWSA-N 355.641 1.955 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 22932512 ZCFRLNXYMUCQNB-QGZVFWFLSA-N 372.513 1.816 0 40 FDAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCCN(c2ncccn2)C1 54017020 UTGIAGLTJWOQFV-INIZCTEOSA-N 363.421 1.646 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 23045970 NYMANGPCMVTNJY-AWEZNQCLSA-N 355.350 1.139 0 40 FDAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1CC 23991837 NSFOSLPUXFSGRG-QWHCGFSZSA-N 367.446 1.170 0 40 FDAB COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 22518522 INPXRCXCXGCHPX-UHFFFAOYSA-N 366.414 1.917 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1 20768836 JACDLVVUZJJAPY-UHFFFAOYSA-N 367.471 1.002 0 40 FDAB COc1cc(OC)cc([C@@H](NC(=O)c2ccc[nH]c2=O)c2nccn2C)c1 24969922 RGWXDZSOXOKFBR-MRXNPFEDSA-N 368.393 1.645 0 40 FDAB O=C(c1cccc(C(=O)N2CCCC[C@@H]2CO)c1)N1CCCC[C@@H]1CO 1457710 RFKJZBHUNYXHFI-QZTJIDSGSA-N 360.454 1.661 0 40 FDAB O=C(Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 20033355 MPERIDRAPVMMAG-UHFFFAOYSA-N 374.462 1.566 0 40 FDAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(CN2C(=O)CNC2=O)c1 25449155 FWXBZUUUKMIFHL-MRXNPFEDSA-N 365.389 1.992 0 40 FDAB CS(=O)(=O)Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1 57044900 KDESUSDLIJAIMU-UHFFFAOYSA-N 368.455 1.280 0 40 FDAB COc1c([C@@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc2c(c1OC)OCO2 35326525 NSQKFLDFACNKPV-GFCCVEGCSA-N 371.349 1.534 0 40 FDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1cccs1 27078619 BSGWJRVKPJGFEF-UHFFFAOYSA-N 363.464 1.959 0 40 FDAB CC(C)c1noc([C@H](C)N2CCN(CCNC(=O)c3ccco3)CC2)n1 58014233 OTBRMCNXMTVTRY-AWEZNQCLSA-N 361.446 1.895 0 40 FDAB O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ncccn2)CC1 58157537 BUETXUUSSCIWLJ-UHFFFAOYSA-N 356.817 1.620 0 40 FDAB Cc1nn2c(=O)cc(CN3C[C@H](C(N)=O)Cc4ccccc43)nc2s1 58294675 VEAQWWWAUBOUSI-GFCCVEGCSA-N 355.423 1.124 0 40 FDAB Cc1ccc(OCCNC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 36727641 ZTQJKHGNGYAZIK-UHFFFAOYSA-N 355.398 1.024 0 40 FDAB COc1ccc([C@H](CNC(=O)c2cnccn2)N2CCOCC2)cc1OC 12816791 KCCLSOVAIYYMPP-INIZCTEOSA-N 372.425 1.297 0 40 FDAB O=C(COCc1nc2ccccc2s1)N1CCN(C(=O)C2CC2)CC1 12891128 SDOSWHNDWWDHHA-UHFFFAOYSA-N 359.451 1.894 0 40 FDAB Cc1nc(-c2ccco2)nc2sc(C(=O)NN3CC(=O)NC3=O)c(C)c12 12949322 YWSXAWPTHXOGSR-UHFFFAOYSA-N 371.378 1.765 0 40 FDAB O=C(CC[C@H]1NC(=O)NC1=O)NCC(=O)Nc1cc(Cl)ccc1Cl 12978806 DIBBEJNEZQHDBV-SECBINFHSA-N 373.196 1.036 0 40 FDAB O=C1N=C(SCC(=O)N2CCCCC2)NC(=O)[C@H]1Cc1ccccc1 4118133 AMWPEUQMCUNGRF-UHFFFAOYSA-N 359.451 1.603 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5053312 SFFNKJJLNNYPQB-OAHLLOKOSA-N 364.745 1.648 0 40 FDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCc1nnc2ccccn12 14227444 VUFMEUGMCRQQAN-UHFFFAOYSA-N 371.828 1.862 0 40 FDAB CCCNC(=O)NC(=O)COc1cccc(I)c1 5452976 CTDNZTDJYWUZMQ-UHFFFAOYSA-N 362.167 1.906 0 40 FDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 6548106 OIGBULAXRGCNKH-UHFFFAOYSA-N 371.372 1.813 0 40 FDAB Cc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(C)c1S(=O)(=O)N(C)C 6653181 YYQIZCMYZCRAOQ-LBPRGKRZSA-N 364.471 1.628 0 40 FDAB O=C(Cn1cnnn1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6849927 YBGCNJRUJZSZHA-UHFFFAOYSA-N 359.777 1.568 0 40 FDAB CCOC(=O)C1=C(CSc2nc(C)cc(N)n2)NC(=O)N[C@H]1CC 7049085 OBQQOEOOJXQPJY-VIFPVBQESA-N 351.432 1.368 0 40 FDAB CC(C)c1nnc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 8916249 KBAPUCLAOWPLBG-UHFFFAOYSA-N 361.836 1.761 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1 20729233 USMRWQXJIFLTNA-CYBMUJFWSA-N 357.370 1.757 0 40 FDAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 7411747 RBLBSXIIMBFGKI-FQEVSTJZSA-N 373.453 1.951 0 40 FDAB COCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021902 CRMMGIAVJUNCAL-MFCZKXCZSA-N 371.437 1.100 0 40 FDAB Cc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)NC2CC2)c(=O)[nH]1 9314301 AMGNQYRQDJHPFD-UHFFFAOYSA-N 354.410 1.850 0 40 FDAB Cc1c(C)n(Cc2ccncc2)c2ncn(CCN3CCOCC3)c(=N)c12 9419721 SWQXCAQEYFOKJL-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(CC(=O)N(C)C)CC1 96316511 XZTGZTWUYVDAFF-INIZCTEOSA-N 368.481 1.873 0 40 FDAB CN1CCN2C[C@@H](Nc3nc(-c4ccncc4)nc4c3cnn4C)C[C@H]2C1 72473707 VSYMVBHDLSAALK-GJZGRUSLSA-N 364.457 1.226 0 40 FDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3ncon3)cc2)C1 95393086 VPQRPCLVGDPKBH-CZUORRHYSA-N 372.425 1.740 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1c(C)cc(=O)oc1C 72299919 QRQBTGUNQDTBCZ-CYBMUJFWSA-N 365.382 1.358 0 40 FDAB O=C(CCCNC(=O)c1ccsc1)NN1CCc2ccccc2C1=O 95983228 JAIROHKRBBJOFF-UHFFFAOYSA-N 357.435 1.988 0 40 FDAB CN(C)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 28324933 XMMXPQNMNFOXHQ-UHFFFAOYSA-N 372.513 1.913 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cnn(C)c1)C2 306131800 KPVXAOZSDVMBBX-MRXNPFEDSA-N 369.469 1.568 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 21702809 LLQNDYCMAKYROT-INIZCTEOSA-N 364.379 1.455 0 40 FDAB CCOC(=O)c1sc2nc([C@@H](C)N3CCOCC3)[nH]c(=O)c2c1C 23673729 WNGHDAWFGIXIDK-SNVBAGLBSA-N 351.428 1.863 0 40 FDAB O=C(Cn1ccc2ccccc21)N1CCCN(C(=O)c2cnn[nH]2)CC1 1529171709 AAEBPPBVXMVIFK-UHFFFAOYSA-N 352.398 1.134 0 40 FDAB COc1ccccc1CC(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527582759 ZLRRKXDNDNWHOR-CVEARBPZSA-N 356.426 1.007 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3cccnc3)CC(=O)N1CC2 72342194 MUYRLWDCYGKJKY-INIZCTEOSA-N 367.405 1.681 0 40 FDAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(S(C)(=O)=O)CC1 32089888 ADDCFPZIMUCOMP-OAHLLOKOSA-N 351.428 1.179 0 40 FDAB COc1ccc(Nc2nc(N3CCC(C(N)=O)CC3)nc3n[nH]nc23)cc1 70655787 QFANLGXPOHHGMN-UHFFFAOYSA-N 368.401 1.202 0 40 FDAB Cn1c(=O)n2n(c1=O)C1(C=CC2)[C@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 45071342 YDAUPNKJBZKOFU-PBFLXZGTSA-N 367.302 1.845 0 40 FDAB NCCOCCOCCOCCOCCOCCOCc1ccccc1 82220312 MKMNQQTUZLGTRU-UHFFFAOYSA-N 371.474 1.245 0 40 FDAB CS(=O)(=O)C(Br)(Br)C(=O)c1cccc(N)c1 96518468 RMJUUUCKVQCNGC-UHFFFAOYSA-N 371.050 1.940 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 583652530 SSSXCZCJKHPBGR-GFCCVEGCSA-N 371.422 1.910 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccoc1)CC2 96254600 SFXURFDFNAEZDO-UHFFFAOYSA-N 355.442 1.977 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(Cc1nccs1)C2)NCc1cccnc1 96206661 SWICTPCSAOULAN-QAPCUYQASA-N 358.467 1.693 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1ccc2c(c1)OCO2 97531318 MUYFLQOTVQAXMJ-AWEZNQCLSA-N 367.361 1.822 0 40 FDAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)ncn1 248117165 LZJKLZRWOUQQCS-ZDUSSCGKSA-N 359.405 1.751 0 40 FDAB Cn1cc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)cn1 248102020 FBZRVDYIJFAOPH-GOSISDBHSA-N 351.410 1.858 0 40 FDAB CNc1cc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)nc(C)n1 257325276 WSFYCCFERPQACN-HNNXBMFYSA-N 353.492 1.388 0 40 FDAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCC(N)=O)CCO2)n1 257317373 VJNBOCYOYXTCEN-MRXNPFEDSA-N 372.425 1.773 0 40 FDAB Cc1cc(F)ccc1CC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257209545 BQUTVTFIHYQARD-LJQANCHMSA-N 358.417 1.614 0 40 FDAB CN1C(=O)C2(CCN(C(=O)c3cnco3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 257330419 XOHREIPGOBTPDM-WBVHZDCISA-N 369.421 1.861 0 40 FDAB COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2c1nc(C)cc(C(F)(F)F)n1 544393604 BOWVMYGSDHBKLR-CNVPUSNMSA-N 373.331 1.733 0 40 FDAB Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257249633 JJDJCRSQNOQABC-ZHALLVOQSA-N 362.470 1.365 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)c3cnc4cccnn34)C[C@H]2NCC2CC2)cn1 1087000510 AAVRSUMYMOBGSD-JKSUJKDBSA-N 365.441 1.071 0 40 FDAB Cc1nc(C)c(S(=O)(=O)N[C@@H](C(=O)O)c2c(C)nn(C)c2C)s1 548534069 PCKWELLKRMAEGF-LLVKDONJSA-N 358.445 1.214 0 40 FDAB O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1sccc1-n1cnnn1 629265767 YEKAFIXVBHTJAU-GXFFZTMASA-N 359.415 1.345 0 40 FDAB Cc1nc([C@](C)(NS(=O)(=O)c2cnn(C3CCC3)c2)C2CC2)no1 1669417656 UXLZSZLDWGRWOQ-OAHLLOKOSA-N 351.432 1.903 0 40 FDAB CC(C)[C@@H](CO)NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1775968440 GITOVCGNEBXZKY-QGZVFWFLSA-N 360.454 1.715 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575402595 CHUXXKRUEJGZIF-KRWDZBQOSA-N 354.410 1.845 0 40 FDAB O=S(=O)(NC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21)C1CC1 585111670 FALOFCBICULLCQ-INIZCTEOSA-N 364.446 1.661 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H](O)C1)C2 585104583 QOBRIAUDCCMONL-RBUKOAKNSA-N 374.481 1.860 0 40 FDAB NC(=O)c1cn(C2CCN(C(=O)NCc3ccc(Cl)s3)CC2)nn1 585123207 YLASQSJLBKZTFG-UHFFFAOYSA-N 368.850 1.639 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccccc3C(C)(C)C)C2)C1 685941198 AJWKMWLHFAIJGQ-CYBMUJFWSA-N 357.454 1.403 0 40 FDAB Cc1cc(C)n(CCN2CCN(S(=O)(=O)c3cccs3)CC2)n1 75156489 JDYOBWVWBPFBTF-UHFFFAOYSA-N 354.501 1.568 0 40 FDAB COc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)ncn1 545890240 TVJOZYGTZJNMJJ-UHFFFAOYSA-N 354.336 1.929 0 40 FDAB Cc1nccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615155113 HZBDZWOEXFZVOD-IBGZPJMESA-N 370.384 1.572 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615156302 IVLZPZUZWLQMMA-IBGZPJMESA-N 372.400 1.597 0 40 FDAB C[C@H]1CCCCN1C(=O)Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12 12184177 CCUATRJQAVOYJG-ZDUSSCGKSA-N 366.425 1.015 0 40 FDAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@H](C)N2CCCC2)C3)C1 19079435 FSIZJCAMKKZQAE-HOCLYGCPSA-N 371.485 1.181 0 40 FDAB CCCC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CCC)[nH]c(=O)c2C1 19501606 DGCMLAJIVRKTRF-HNNXBMFYSA-N 360.458 1.918 0 40 FDAB CCn1nc(-c2nnc3n2CC[C@@H](C(=O)OC)C3)c2ccccc2c1=O 601043621 FTNMCIMPPRZUBQ-LLVKDONJSA-N 353.382 1.410 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)C2)n1 225406599 GYHGBWFBQPVAHE-KXBFYZLASA-N 368.437 1.836 0 40 FDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 19706472 SVJDBKXCZNOIEE-AWEZNQCLSA-N 356.430 1.609 0 40 FDAB CC(C)N1CC[C@H](N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)C1=O 1888864365 WOHWSWQGJZKGDJ-SFHVURJKSA-N 369.513 1.974 0 40 FDAB Cc1nc2ncnn2c(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1C 1888897400 FNAWVXRKIYHPQY-UHFFFAOYSA-N 368.445 1.355 0 40 FDAB O=C(c1cnn[nH]1)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901144 AFGABQAPDIEXRZ-LBPRGKRZSA-N 368.372 1.942 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(Cl)n3C)CC2)cc1 18034216 WPNVMNNKHAUGMM-UHFFFAOYSA-N 368.890 1.888 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 23896050 KIODVGYREYEBOJ-GOSISDBHSA-N 374.462 1.955 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1614938634 YRVYYLNTJZGAEC-DLBZAZTESA-N 354.454 1.826 0 40 FDAB C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]12CCN(c1ccsc1)C2=O 1614937188 HZQLLLYONHVHOM-MLGOLLRUSA-N 370.496 1.384 0 40 FDAB Cc1ncnc(N(C)CC2CCN(c3ncnc4ncn(C)c34)CC2)c1F 2087022429 ITKWSFBKPZOKPQ-UHFFFAOYSA-N 370.436 1.954 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n[nH]1 1565546535 GCUOEOKHRCXVRR-LJQANCHMSA-N 367.409 1.667 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2927679 BXLMNVKJUCONPG-KGLIPLIRSA-N 365.389 1.402 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)CCC2 3361608 GIHJDXZOTFCEJK-UHFFFAOYSA-N 356.403 1.959 0 40 FDAB Cc1cccc(-n2ccn(CC(=O)NCCc3ccccc3)c(=O)c2=O)c1 4569966 KKEVNYWTIUPNDZ-UHFFFAOYSA-N 363.417 1.667 0 40 FDAB CC(C)NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107394 CCGLVWBRKSMOEU-UHFFFAOYSA-N 352.391 1.755 0 40 FDAB O=C(NCc1ccccc1Cl)C(=O)NCc1n[nH]c(=O)c2ccccc12 11027567 LVORKPLIASKFDP-UHFFFAOYSA-N 370.796 1.509 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CN2CCN(c3nccn3C)CC2)cc1 11695739 UEKDKFPRNRTIOZ-UHFFFAOYSA-N 356.430 1.139 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(F)cc1F 12180688 VYOUQEHSKNMYHZ-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB COCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC2CC2)CC1 2055747513 CRECCPUTDGOYNR-UHFFFAOYSA-N 361.442 1.393 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)cc1 2086860575 YJWMYAWKYPWFQS-CQSZACIVSA-N 368.524 1.882 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncnc3[nH]ccc23)C1 585605528 ISKMBKLLXACFMS-UHFFFAOYSA-N 359.393 1.713 0 40 FDAB CC(C)N1C[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1=O 31239009 QLLUQIKYBONAON-SFHVURJKSA-N 372.513 1.572 0 40 FDAB NC(=O)CC[C@@H]1CCCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)C1 100725822 BASIQHTYRJTKCI-LBPRGKRZSA-N 367.409 1.294 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 32760038 AWOHIPUTAPKFTK-MRXNPFEDSA-N 355.394 1.755 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)COc2cccc3ccccc23)CC1 32754820 DIKIGSIMXWTDGI-UHFFFAOYSA-N 362.451 1.713 0 40 FDAB Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)C(=O)N1CCNC1=O 32776045 RQRNKWNGVILRPU-CYBMUJFWSA-N 355.394 1.878 0 40 FDAB CC(C)[C@H](C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 79318659 QLHLGLHSXVDDBZ-MSOLQXFVSA-N 364.511 1.758 0 40 FDAB O=CN1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 10282921 CTNHVLJCYAFWGJ-UHFFFAOYSA-N 357.273 1.983 0 40 FDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(Cc2cccs2)CC1 22691884 RNIAVJQXPUNAHB-UHFFFAOYSA-N 354.439 1.682 0 40 FDAB CCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(OC)c2)C1=O 12408596 IJRSQNARSRGIER-AWEZNQCLSA-N 359.304 1.926 0 40 FDAB C[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)n1c(=O)oc2ccccc21 24115081 JVXTZFSTRYCJJB-GFCCVEGCSA-N 365.345 1.907 0 40 FDAB Cc1cc(NC(=O)CCN2CCN(CC(=O)Nc3ccccc3)CC2)no1 24250180 YPEZWOHMNKTKBF-UHFFFAOYSA-N 371.441 1.568 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1 55087861 AIRYQUNVCGKLCM-UHFFFAOYSA-N 357.414 1.255 0 40 FDAB COC(=O)c1occc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 24909778 XCSWFLMGMNILHQ-UHFFFAOYSA-N 352.364 1.968 0 40 FDAB COc1ccc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1 104279718 XQQABXVZVPSCQV-MRXNPFEDSA-N 355.398 1.221 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C1CC1 9516092 PHVNJPITOOVTLI-JTQLQIEISA-N 358.427 1.864 0 40 FDAB CCn1ncc2c(C(=O)NCC(=O)N(C)C)cc(-c3cccs3)nc21 25466400 ONUORQPHKIWVEV-UHFFFAOYSA-N 357.439 1.998 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 27472816 AQLHMDWFBGREJN-DZGCQCFKSA-N 374.528 1.546 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)C1 58186288 SLFROOPNWNPJLQ-AWEZNQCLSA-N 366.487 1.253 0 40 FDAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 58228644 CTZCNQHGZFJMNZ-UHFFFAOYSA-N 356.382 1.939 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)N1CCN(c2nccs2)CC1 45130739 LAINCAMHEFGYOS-UHFFFAOYSA-N 360.439 1.946 0 40 FDAB COC[C@@](C)(O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Br 72304527 RVRGJSSTYQXWOR-XPTSAGLGSA-N 364.211 1.869 0 40 FDAB CCOc1ccccc1-c1noc(Cn2nnn(-c3cccs3)c2=O)n1 11656936 ROSRVLXJYNFOQR-UHFFFAOYSA-N 370.394 1.988 0 40 FDAB C[C@H]1C[C@@H](OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C(=O)O1 12799401 SKBFQJHAIVOISR-ZUZCIYMTSA-N 369.329 1.937 0 40 FDAB O=C(Nc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1)c1cccs1 12867575 FBFKHOGNGQSTAH-NSHDSACASA-N 364.448 1.917 0 40 FDAB O=C1O[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2ccccc21 12817860 QPWLCOYQQDPGFU-INIZCTEOSA-N 354.362 1.346 0 40 FDAB Cc1noc(C)c1CSCC(=O)OCn1nnc2ccccc2c1=O 3459857 HMBZAOLDCJCVHQ-UHFFFAOYSA-N 360.395 1.830 0 40 FDAB COc1ccc(NC(=O)[C@H](NC(=O)CNC(C)=O)c2ccc(C)cc2)cc1 3615100 LBXLJNVLJXWKRS-LJQANCHMSA-N 369.421 1.936 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38834256 HILRJARLKXBAAA-INIZCTEOSA-N 362.407 1.861 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCC3(CC1)OCCO3)C2=O 24998136 DOEWHKUUYCRGCM-UHFFFAOYSA-N 358.394 1.347 0 40 FDAB CCc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2NC(C)=O)c1 4185056 GSDLPPZTQOCNCB-DUQPFJRNSA-N 365.426 1.370 0 40 FDAB COc1ccccc1OCCNC(=O)CCCN1C(=O)NC(C)(C)C1=O 39978216 PIMFFEFQGWFMLM-UHFFFAOYSA-N 363.414 1.301 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 14077407 ROTFGMUSMABANP-OKILXGFUSA-N 372.469 1.551 0 40 FDAB CCN1C[C@@H](CN(C)C(=O)c2nc3nccc(C)n3n2)Oc2ccccc21 65529773 CLXCYNPXCUCDMY-CQSZACIVSA-N 366.425 1.792 0 40 FDAB CCCCN(CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 14138191 BHGSMALTWDIJKU-CYBMUJFWSA-N 350.440 1.529 0 40 FDAB Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 24130911 LSWJJXUAJYPQMR-UHFFFAOYSA-N 357.366 1.124 0 40 FDAB CC(=O)OC[C@H]1C[C@@H](COC(C)=O)[C@H](COC(C)=O)C[C@H]1COC(C)=O 61953312 GCCOZZKHVAOYJZ-XLAORIBOSA-N 372.414 1.497 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1C 9114792 CJQXOPQAKWHVQI-SNVBAGLBSA-N 367.402 1.588 0 40 FDAB CCC[C@H]1NC(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O 14736657 VXNRDWVLZXICRH-CYBMUJFWSA-N 363.414 1.083 0 40 FDAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7093959 LYYFPDPKHGCTGD-VXGBXAGGSA-N 367.496 1.699 0 40 FDAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)N3CCNC3=O)o2)c1 7297721 VPSBBNQRJMVHJQ-LLVKDONJSA-N 362.411 1.989 0 40 FDAB CC[C@H]1CCCCN1C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 7784576 KZKGTMWQVAVBFF-AWEZNQCLSA-N 356.492 1.541 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)cc1 409298046 VOQCSMAVAUIYMP-NXEZDXNNSA-N 357.362 1.271 0 40 FDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3OCC)C2=O)CC1 20798712 FPUVLEPNXHDLKE-MRXNPFEDSA-N 374.437 1.992 0 40 FDAB CCn1ccnc1CN1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972361 BFLMUFQFJAIMJQ-AWEZNQCLSA-N 373.423 1.574 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(C(=O)O)CCCC1 95969642 DBHVXRCVADPHSV-SNVBAGLBSA-N 358.391 1.006 0 40 FDAB Cc1cccc2c(CCNC(=O)N3CCN(S(C)(=O)=O)CC3)c[nH]c12 74507165 LCYOBYCHRCGJSN-UHFFFAOYSA-N 364.471 1.306 0 40 FDAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)n1 72203525 MWXNLCZXFUJQRX-JTQLQIEISA-N 354.432 1.709 0 40 FDAB COc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 331473657 SAFQQTVZIHJZMJ-OAHLLOKOSA-N 361.442 1.205 0 40 FDAB CN1[C@@H](CCC(=O)N2CCCC2)CNC(=O)[C@@H]2[C@H]1CCN2CC(C)(C)C 35442385 OWARZJKXMRLXJF-JZXOWHBKSA-N 364.534 1.308 0 40 FDAB biogenic,in-vitro NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(F)cc(F)c2)CC1 71768169 LRDGIIIYMHUOMH-UHFFFAOYSA-N 351.397 1.911 0 40 FDAB CN(C)CCNC(=O)COc1nn(-c2ccccc2)cc1Br 227151533 CYUHNBCMXNHEIA-UHFFFAOYSA-N 367.247 1.691 0 40 FDAB CCN1CC[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 328682915 DGGCMXDUIMCFMB-UKRRQHHQSA-N 353.829 1.826 0 40 FDAB CC(C)CN1C[C@H](C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)CC1=O 570775842 XRENUWASEZBPLJ-RHSMWYFYSA-N 360.410 1.368 0 40 FDAB Cc1ccc(CCNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)o1 223242978 ZHBQIYNIFWXSEK-MSOLQXFVSA-N 360.385 1.984 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224328588 BQSJTEBAOXRJAI-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB Cc1cc(N(C)C)nc(CNC(=O)CN(C)C(=O)c2ccccc2F)n1 224191826 APZSQJBOCBAEHG-UHFFFAOYSA-N 359.405 1.379 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 96106245 CFUQPWNECXYTGD-HNNXBMFYSA-N 356.426 1.905 0 40 FDAB O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCOc2c1ccc(F)c2F 333951324 YXCKQNUOVHBJCJ-SNVBAGLBSA-N 371.365 1.710 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)C1 330680776 FZNIEJSXTZYJSR-AAEUAGOBSA-N 357.480 1.708 0 40 FDAB CN(C)S(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 96044962 MRTIHTDNWFVKNK-AWEZNQCLSA-N 356.492 1.333 0 40 FDAB CC(=O)N1CCN(C(=O)CN2CCC[C@]2(C)Cc2cccc(F)c2)CC1 580711571 HWHGYPWPTKGFGI-HXUWFJFHSA-N 361.461 1.913 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21 253493315 SVVCURARBTVVBW-AWEZNQCLSA-N 354.501 1.831 0 40 FDAB CN(C)c1nccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 540488499 UYYOMCFSSFXFEG-INIZCTEOSA-N 368.441 1.143 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)cc1OC 257227710 FQOBSHBDVLTCSM-QAPCUYQASA-N 364.442 1.454 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NCc1cnc([C@H]2CCCCO2)nc1 257341143 ZIZXRISZCCTYOW-CYBMUJFWSA-N 351.432 1.239 0 40 FDAB COCc1ccc(C(=O)N2CC[C@H](c3ncc(CNC(C)=O)[nH]3)C2)cc1 257344614 ZXZMKUXFRFECNH-INIZCTEOSA-N 356.426 1.822 0 40 FDAB Cc1cc(OCC(=O)NC2(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)CC2)no1 1775997169 BDTKAJWSWNACFF-IUODEOHRSA-N 361.442 1.905 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)n1cnnn1 604418708 NTYQHKOLNWODPI-SJCJKPOMSA-N 359.430 1.862 0 40 FDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H](CCSC)NC(N)=O)C1 599357594 UDYQDFCMJSDSEU-STQMWFEESA-N 353.492 1.399 0 40 FDAB CN(C)[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 599310451 ZQRHJZAKWUJDEJ-GJZGRUSLSA-N 373.906 1.483 0 40 FDAB CCc1nc(CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)cs1 1615550571 VHNDQUCQPDKKHV-UHFFFAOYSA-N 365.499 1.878 0 40 FDAB COc1ccc2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)[nH]c2c1 96120336 LTMLXABAEZJAEN-UHFFFAOYSA-N 365.455 1.578 0 40 FDAB Cc1ccc(OCc2nnc3n2CCN(C(=O)C2CC(O)C2)[C@@H]3C)cn1 585097652 PAYOBEUGEDJQLJ-IYXRBSQSSA-N 357.414 1.235 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@H]12 585109407 NPLULTQCAPCIDT-BZUAXINKSA-N 364.467 1.520 0 40 FDAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 585113568 WFKVHGFBGHRUJL-IBGZPJMESA-N 373.432 1.319 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1ncc2c1CCCC2 585288229 SCSJGKVVVXLMEA-NUJGCVRESA-N 351.447 1.039 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCc3ccccc32)cc1 56052868 MLCQVFYBOZANOH-UHFFFAOYSA-N 366.464 1.866 0 40 FDAB O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615124463 XJSGLDBVYBNCCC-NRFANRHFSA-N 371.481 1.897 0 40 FDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(F)cc1 5241246 GHFRNCYGBRJYJB-GFCCVEGCSA-N 360.341 1.949 0 40 FDAB CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1N[C@H](C(=O)O)C(C)(C)S1 5540065 HQEJTFRMUYHJJT-YRGRVCCFSA-N 366.439 1.242 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)CC1 5791931 MWPQREVCESGFQO-SFHVURJKSA-N 365.380 1.990 0 40 FDAB Cn1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@@H]32)c2ccccc21 11612290 GDCBDHYZDGAKAU-UTUOFQBUSA-N 371.443 1.807 0 40 FDAB O=C1NC2=C(C(=O)N(CCN3CCCCC3)C2)[C@H](c2cccc(F)c2)N1 12113447 KCDXIXXQFFPQRO-KRWDZBQOSA-N 358.417 1.762 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cnn4cccnc34)cc2n1 12154049 KENRQBCAHDKYFG-AWEZNQCLSA-N 363.381 1.763 0 40 FDAB CN(C)c1nc(O)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 12367328 OLKJCPLRRZBQRX-LBPRGKRZSA-N 356.382 1.607 0 40 FDAB Cc1ccc(C)c(N(CCCC(=O)NCCCN(C)C)S(C)(=O)=O)c1 14397449 ALOQUOPMCRXIFQ-UHFFFAOYSA-N 369.531 1.918 0 40 FDAB CC(C)CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17127725 MPDQLEKUGFMZCG-UHFFFAOYSA-N 354.472 1.412 0 40 FDAB CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 19446051 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369.425 1.091 0 40 FDAB CCCCN1C(=O)c2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc2C1=O 24975362 FMLIBNHVCSJAJW-UHFFFAOYSA-N 372.406 1.890 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C(F)(F)F)nc1 26257748 OEVMBDBNSDZTEY-UHFFFAOYSA-N 356.304 2.000 0 40 FDAB COCCn1nc(C(=O)Nc2cc(C)nn2Cc2ccccc2)ccc1=O 44048915 ZVZDCVZESRPNAI-UHFFFAOYSA-N 367.409 1.695 0 40 FDAB CC(C)OC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1 37868526 BEYOQOUVIABFTO-UHFFFAOYSA-N 361.387 1.485 0 40 FDAB O=C1C[C@H](C(=O)NCc2nnc3n2CCCCC3)c2ccc(F)cc2N1 48276200 MWLNCEAPIFQZMP-ZDUSSCGKSA-N 357.389 1.886 0 40 FDAB CCCCN1C(=O)C(=O)N(Cc2nc(-c3ccc(OC)cc3)no2)C1=O 48286793 LDEIXONWTHBKNV-UHFFFAOYSA-N 358.354 1.836 0 40 FDAB Cc1cc(C(=O)NC[C@]2(COc3ccccc3)C[C@H](O)[C@H](O)C2)n(C)n1 107430609 ZPILFUJUURDMJT-IZZQQSIFSA-N 359.426 1.039 0 40 FDAB biogenic,in-vitro CSc1nc2nc(C)c(CC(=O)NCC(=O)NC(C)(C)C)c(C)n2n1 12750009 GXQJJGGPCGEJSF-UHFFFAOYSA-N 364.475 1.036 0 40 FDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)N1 12732321 FXBROOOTAMTYMJ-NWDGAFQWSA-N 358.423 1.948 0 40 FDAB COc1ccc(CCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1F 58419649 OMTZFPRKMDNQFO-UHFFFAOYSA-N 372.462 1.649 0 40 FDAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(F)ccc21 2265160 SGKBUIGNKZVLMY-MRXNPFEDSA-N 364.402 1.738 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2O)CC1 22797100 WLRRWFOCNSIFTK-JTQLQIEISA-N 354.790 1.282 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911010 HXBUZIJXHJDHRC-MWLCHTKSSA-N 359.348 1.661 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12870771 GUVRDSHTEPKWMV-UHFFFAOYSA-N 373.434 1.739 0 40 FDAB COC(=O)[C@H](N)Cc1cc(Br)c(O)c(Br)c1 2539052 XIWWDKTXRPGESF-MRVPVSSYSA-N 353.010 1.960 0 40 FDAB CCN(CC)C(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 12843943 SMSYHIOUMGQTOP-LBPRGKRZSA-N 356.444 1.481 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@@H]1CCOC1=O 3453743 PDXUCZCSAMFMDA-OAHLLOKOSA-N 367.423 1.642 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 12921639 HEADPSSTMFSHNJ-UHFFFAOYSA-N 352.350 1.610 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)N1CCCCC1)O2 64988373 JBLSETIIDWIFMZ-MRXNPFEDSA-N 352.456 1.925 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4495891 LSNRCEHPMWZTCJ-CYBMUJFWSA-N 371.368 1.464 0 40 FDAB O=C1c2ccccc2S(=O)(=O)NN1CC(=O)N1CCCc2ccccc21 6549790 AZVLQYYXSNQRHQ-UHFFFAOYSA-N 371.418 1.315 0 40 FDAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1N(C)S(C)(=O)=O 5554034 LDTWKGOIBWMFQZ-UHFFFAOYSA-N 350.462 1.168 0 40 FDAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6662021 NNDFMCHVAZEJHQ-UHFFFAOYSA-N 353.488 1.155 0 40 FDAB COCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 4815948 GFGMFXYNDQOGKM-UHFFFAOYSA-N 350.400 1.768 0 40 FDAB CN(C)CCNC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 9052682 AVRQBJJCBVYZBJ-UKTHLTGXSA-N 351.403 1.540 0 40 FDAB Cc1ccc(C)c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 4943412 FSDVOJVDBMIAAX-UHFFFAOYSA-N 355.398 1.079 0 40 FDAB CN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1 80502967 XFNNFLMBYHSWTK-IBGZPJMESA-N 373.497 1.748 0 40 FDAB CNc1snc(C)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 16552002 ZVCMWUBMARDGIE-UHFFFAOYSA-N 374.466 1.999 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)c1C 8326069 DNVUGUADPQWSIK-JTQLQIEISA-N 365.386 1.342 0 40 FDAB CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1C 8390548 QRKLGHBDUQFPPP-UHFFFAOYSA-N 351.384 1.980 0 40 FDAB NC(=O)c1ccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)cc1 8312794 MTHXCWRGRHWHIH-UHFFFAOYSA-N 353.367 1.599 0 40 FDAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCCCC(=O)OC 9389778 VEJCKEAXEWQUOL-UHFFFAOYSA-N 369.849 1.941 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 24482314 MYQZMJVRQKAPCV-UHFFFAOYSA-N 361.345 1.986 0 40 FDAB CCCCCn1cnnc1SCC(=O)NCC(C)(C)N1CCOCC1 27758685 BWUWTRGDCIMNBL-UHFFFAOYSA-N 369.535 1.787 0 40 FDAB COC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 9313684 KRLGUPHCGJESPC-SECBINFHSA-N 357.204 1.247 0 40 FDAB O=C(NCCCc1n[nH]c(=O)[nH]1)c1nn(-c2ccccc2F)c2c1CCC2 72306791 UUVUXODDMVGTGS-UHFFFAOYSA-N 370.388 1.274 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NCCNC(=O)c1nc2ccccc2s1 72400293 DLWCJBCFZZWQML-VXGBXAGGSA-N 361.423 1.499 0 40 FDAB CCN(CC)C(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252109 LXYVWPAGCASFNC-UHFFFAOYSA-N 358.460 1.972 0 40 FDAB COC(=O)CCN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@H](C)C1 95985653 IVXURRWHBOQXKB-OAHLLOKOSA-N 371.441 1.973 0 40 FDAB Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)O)C[C@H]3NC(=O)CCCC[C@H]32)cc1 212417277 KRSBXMRZWXCXFG-RBSFLKMASA-N 366.439 1.270 0 40 FDAB O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CCc2nnnn2CC1 566565404 JBRJHCQUGJNKJB-GFCCVEGCSA-N 351.370 1.847 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 72334915 KTYBZLFHFRLGHC-AWEZNQCLSA-N 370.409 1.289 0 40 FDAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30944535 WYCOUTWNJCCALD-GOSISDBHSA-N 363.477 1.876 0 40 FDAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 78238093 YRUMMWJJFIIDDV-UHFFFAOYSA-N 371.478 1.294 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 229919524 UGHYKAZVRXKAKA-DEXNDLTESA-N 362.401 1.803 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058340 OXOYRJMYMCUJTE-FZMZJTMJSA-N 372.418 1.047 0 40 FDAB Cc1ccc(NC(=O)c2cnc3[nH]nnc3c2)cc1C(=O)N1CCOCC1 569374763 XDRMRZOSTCJLJA-UHFFFAOYSA-N 366.381 1.386 0 40 FDAB CNc1ccccc1C(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 569789573 RKOSRWMBHLAUGO-UHFFFAOYSA-N 359.451 1.840 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCc1nccc(N2CCCC2)n1 224155901 IMUIUSMVQRABGX-UHFFFAOYSA-N 362.455 1.872 0 40 FDAB C[C@@H](C(=O)NCCCN(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224410484 VQANQCWQPVWSRT-NSHDSACASA-N 363.430 1.187 0 40 FDAB COc1cccc(CC(=O)N2C[C@H]3CCC[C@@H](OCC(=O)N(C)C)[C@H]3C2)c1 96054604 IWEIRBSCDQUYJS-NZSAHSFTSA-N 374.481 1.970 0 40 FDAB O=C(NCCC(=O)N1CCC[C@@H]1c1nnc2ccccn12)c1cnccn1 95476357 VSUSKKJDXDPMJQ-CQSZACIVSA-N 365.397 1.003 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3ccccc3)CC2)CN1S(C)(=O)=O 96220774 ZKRLOERZDCDNPG-KRWDZBQOSA-N 352.500 1.949 0 40 FDAB O=C(Cc1cccs1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124225 PSBSSFUOXRTUFF-UHFFFAOYSA-N 355.427 1.010 0 40 FDAB Cn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1CCOC2 96104011 GALSFQMKBWNPBD-LBPRGKRZSA-N 372.400 1.301 0 40 FDAB COc1cc(N2CCC[C@]3(CCN(C(=O)Cc4ccccn4)C3)C2)ncn1 96216525 GTFMVMJTHOJJLC-FQEVSTJZSA-N 367.453 1.942 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1 247554629 WZIIVINMJMBXIR-HNNXBMFYSA-N 366.487 1.281 0 40 FDAB CN(C)c1cc(N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)ncn1 248136164 RTORBDXZKCKTPT-INIZCTEOSA-N 362.474 1.724 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cccc3[nH]ccc13)C2 247528682 OALBLASSIDHWQI-HNNXBMFYSA-N 363.483 1.698 0 40 FDAB CCCCN1CCOC[C@H]1C(=O)NC1CCN(C(=O)OC(C)C)CC1 585083037 VOCLBHZIDPTSHJ-INIZCTEOSA-N 355.479 1.613 0 40 FDAB NC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccco2)CC1 585080670 DUPJWJITHUKQQC-UHFFFAOYSA-N 352.398 1.683 0 40 FDAB CN1CCN(c2ccc(C(=O)N[C@H]3CCC(=O)NC3(C)C)cc2F)CC1 585080445 TVHLQYBQIYRRAE-INIZCTEOSA-N 362.449 1.365 0 40 FDAB COCCN1C(=O)CO[C@H]2CCN(C(=O)/C=C/c3ccccc3)CC[C@@H]21 257339919 ZDSWGNBHKORGGH-VUOWKATKSA-N 358.438 1.565 0 40 FDAB CN(C)c1cncc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1 257271998 NARMZWWANJOESL-MRXNPFEDSA-N 351.414 1.651 0 40 FDAB CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccccn3)C2)ncn1 257224992 FEJUVQZUHPUWCB-IBGZPJMESA-N 354.458 1.861 0 40 FDAB Cc1nccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257286304 PLBVLFMLMMVXQC-GOSISDBHSA-N 359.405 1.423 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccoc1)N1CCSCC1 253404448 RAXIQBXFMKUATA-HNNXBMFYSA-N 363.439 1.395 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCc1cnn(C)c1C 257221355 DORNONAOOOXJPZ-QGZVFWFLSA-N 357.458 1.620 0 40 FDAB Cc1nc(Cn2cc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)nn2)no1 280104351 DWUURTZCGIXEOI-SNVBAGLBSA-N 354.370 1.877 0 40 FDAB CCN(C(C)=O)c1ccc(NC(=O)c2cncc(N3CCOCC3)c2)cn1 617542165 QMCRWVYUPYRPHM-UHFFFAOYSA-N 369.425 1.938 0 40 FDAB CCn1cc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)cn1 619065560 IKQCZEPNFPCDPL-UHFFFAOYSA-N 353.470 1.988 0 40 FDAB Cc1nc(C(=O)NCC(=O)N2CCCO2)nn1-c1ccccc1C(C)C 627880784 WRVADJASLDZLBG-UHFFFAOYSA-N 357.414 1.593 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC1CCC(C(F)(F)F)CC1 643433070 NYVMJSYYRMHLPP-ILDUYXDCSA-N 371.377 1.455 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)N1CCC(Cc3cccnc3)CC1)N(C)C2 644407237 AOLAIRFFIZAIGO-KRWDZBQOSA-N 354.458 1.277 0 40 FDAB CCN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@@]12CCOC2 1615589742 SMAZGNGKBJODKI-LJQANCHMSA-N 371.441 1.387 0 40 FDAB Cc1nonc1CN1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91587293 RYDFMQJWWSJQPX-UHFFFAOYSA-N 372.473 1.869 0 40 FDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1ccc2nsnc2c1 390831306 RDWRSDVRCCZVHX-UHFFFAOYSA-N 353.363 1.112 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 585278797 VJJPNCQQYSQTST-FQEVSTJZSA-N 357.454 1.710 0 40 FDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 585102980 NMZUXYONHPWKDP-RXAXTNIFSA-N 359.470 1.149 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)cn1 585112033 HJWWSQCLNFMEEM-MRXNPFEDSA-N 357.462 1.369 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CC(C(=O)NC1CCC1)=NO2 585101071 AZVSVMDFBAQACN-UHFFFAOYSA-N 360.414 1.711 0 40 FDAB OC1(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CCCC1 585281826 BQEXMLZINOPQLY-GOSISDBHSA-N 357.397 1.712 0 40 FDAB CN(C)[C@]1(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CCSC1 683390787 DWUIDLVCTLSJSN-INIZCTEOSA-N 366.512 1.883 0 40 FDAB O=C(NCCn1cnnn1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 1622327855 CTCCAKJYFKRFQB-OAHLLOKOSA-N 366.828 1.809 0 40 FDAB Cn1nccc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@@H]12 1549160883 BRYQVOUDVMCTOE-GOSISDBHSA-N 367.453 1.311 0 40 FDAB O=C(C1CC1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595381 RBQFNOIBJUEVQP-GOSISDBHSA-N 369.465 1.458 0 40 FDAB CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594933 HZXPTWNIQZVQHQ-KBAYOESNSA-N 365.543 1.384 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C(C)C)N(C)C)C2=O 19715391 KPUDVHVXYTVCLV-FVRSWCFKSA-N 352.479 1.190 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(NS(C)(=O)=O)CC2)cc1 11717410 VIAYGIHXRQSGAD-GFCCVEGCSA-N 367.471 1.230 0 40 FDAB CCc1nc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc(O)c1F 1888853675 JYVKHNTVPQLJQL-STQMWFEESA-N 364.421 1.205 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20037262 GRULCHHJWDMLEM-UHFFFAOYSA-N 361.261 1.476 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(I)cc1 11637701 GUMZMYDQPDROPQ-UHFFFAOYSA-N 372.162 1.769 0 40 FDAB CCCCNC(=O)CN1CCN(C(=O)CCc2c(C)noc2C)CC1 36383667 ORXOSOGTFHVAAB-UHFFFAOYSA-N 350.463 1.285 0 40 FDAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCC(Oc2ncccn2)CC1 240104281 UOIHEIBWZSDDNM-MRXNPFEDSA-N 370.409 1.723 0 40 FDAB CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCCN(c2ncnc3[nH]cnc23)C1 2037843562 FKJOIZSMMIETDQ-QGZVFWFLSA-N 354.418 1.336 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1 1614929311 NAXWYOHWDCGREH-WBTNSWJXSA-N 359.426 1.310 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1F 1565522764 OZSXRTBERLICSX-CQSZACIVSA-N 372.462 1.710 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)CC4(O)CCC4)CC[C@@H]3C2)nc1 1565554474 SDIOJYBTYKWEKX-IAGOWNOFSA-N 374.485 1.398 0 40 FDAB COCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152825 IDCJYXYEMPADSP-QGZVFWFLSA-N 371.437 1.652 0 40 FDAB Cn1cc(C(=O)N2CCCC2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9820111 PPFPAWMDJHXJGC-UHFFFAOYSA-N 372.812 1.907 0 40 FDAB CN(C)CCN[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 22809405 XSFNALZOVIVQME-GFCCVEGCSA-N 358.236 1.382 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(Cc5noc(C)n5)C[C@@H]4C3)ncnc21 2086865163 QPRWFZKKWLNTFJ-CHWSQXEVSA-N 354.418 1.106 0 40 FDAB NC(=O)COc1ccc(CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 40114612 LPNQJCSKUZFNDX-MRXNPFEDSA-N 367.405 1.335 0 40 FDAB CN(Cc1cccc(NC(=O)c2nccnc2N)c1)C(=O)C(F)(F)F 31372539 XIGOIDYXRLVESQ-UHFFFAOYSA-N 353.304 1.832 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102081854 MLBZDPXVBJLMEN-DSIZOQBWSA-N 371.389 1.452 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804129 GRRBOVXGOUVJPI-AWEZNQCLSA-N 372.469 1.127 0 40 FDAB CCOC(=O)COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1OCC 2488659 YXLYRWBDRGRGSP-IAQYHMDHSA-N 355.412 1.815 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102697855 POSRWIXJLINBHA-BETUJISGSA-N 358.394 1.942 0 40 FDAB CC(C)CCOc1cccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 4399788 KDGHZXOHCWNIHM-AWEZNQCLSA-N 355.456 1.794 0 40 FDAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O 4998695 MZLWFLUEPHIIIE-ZDUSSCGKSA-N 373.434 1.634 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 4998602 WUKFWUAJNRGOFE-CYBMUJFWSA-N 366.439 1.545 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(Br)cc1 6462618 SMLVXJWTQISULN-UHFFFAOYSA-N 369.248 1.972 0 40 FDAB CCNC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 8297340 PONADFBLYIMDSO-CAOSSQGBSA-N 361.446 1.400 0 40 FDAB biogenic,in-vitro CC(C)CN1CCO[C@@H](CNC(=O)CCNC(=O)NC2CCCCC2)C1 22694131 NGRJBKCGPQXWSX-KRWDZBQOSA-N 368.522 1.481 0 40 FDAB CC(C)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823836 UEFIHSNHOQTBFZ-UHFFFAOYSA-N 351.414 1.515 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)/N=c2/sccn2C)C(C)C)cc1 104999949 JNXNATYUEVTPEM-UVTIVQHFSA-N 367.496 1.825 0 40 FDAB C[C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)n1cncn1 57262035 PGSVRHITFRIHAA-NWDGAFQWSA-N 362.821 1.765 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)N1CCOCC1 21152529 OQRRGBCLIDXDJE-QGZVFWFLSA-N 361.417 1.733 0 40 FDAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(F)c1 101128037 OKOBURQTIGWXHJ-PASDCYSWSA-N 366.385 1.992 0 40 FDAB CCc1cc(=O)n2nc(NCCC(=O)Nc3ccc(C)cn3)sc2n1 58154066 OTOVHAJQPLBRBO-UHFFFAOYSA-N 358.427 1.858 0 40 FDAB Cc1cccc(CNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)n1 58209943 ZFAOWNOSBVAGSR-HNNXBMFYSA-N 371.363 1.763 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1C(N)=O 28241089 MUBQXLKEQIUSNJ-UHFFFAOYSA-N 362.411 1.052 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCn2cnc3ccccc3c2=O)n(C)n1 11659842 ZXZQBLXITDAONF-UHFFFAOYSA-N 369.381 1.010 0 40 FDAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O 20466120 YLUHKVOJUYWROD-IEBFPQEESA-N 368.518 1.713 0 40 FDAB biogenic,in-vitro Cc1csc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)n1 306134951 OCFZPDKJKJNTAL-UMVBOHGHSA-N 359.455 1.118 0 40 FDAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(CCO)CC1 12869902 STPYIJPKUKNPGH-UHFFFAOYSA-N 373.689 1.945 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1 13046093 ZPUXBKQQIGTMPS-UHFFFAOYSA-N 372.406 1.941 0 40 FDAB COC(CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)OC 4073458 BAXANVBZWHLBDL-IBGZPJMESA-N 357.410 1.229 0 40 FDAB biogenic Cc1csc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n12 6116193 BKLYJNWFXZOLGY-UHFFFAOYSA-N 357.391 1.538 0 40 FDAB O=C(c1occc1-c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 70720273 UJHDVMPMEHVSRB-MRXNPFEDSA-N 374.462 1.892 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306128250 GVFWIBCODBIJRL-MRXNPFEDSA-N 366.425 1.782 0 40 FDAB COc1ccc([C@@H]2Nc3ncnn3[C@@](O)(C(=O)O)[C@@H]2c2ccccc2)cc1 72332380 HWZOXYWSBHJKOO-GJYPPUQNSA-N 366.377 1.967 0 40 FDAB CC(C)[C@@H](C(=O)NCc1cccc(NS(C)(=O)=O)c1)N1CCCC1 84410692 ZFOCYGJAXRNURL-INIZCTEOSA-N 353.488 1.795 0 40 FDAB CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 95939405 ZRGXYTSCMBQLTI-NSHDSACASA-N 356.227 1.504 0 40 FDAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)C1CC1 9952243 UTILTOAUPINOBH-JTQLQIEISA-N 360.443 1.469 0 40 FDAB Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccn(CCC(N)=O)n1 89689136 PQQVPPCKTVYPPM-UHFFFAOYSA-N 371.441 1.099 0 40 FDAB Cc1ccccc1S(=O)(=O)NC(=O)c1cncc(N2CCOCC2)c1 89696822 FRXUPWQBZXKXRZ-UHFFFAOYSA-N 361.423 1.345 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 32770717 IIEDKGAHCFDEDU-UHFFFAOYSA-N 361.467 1.741 0 40 FDAB CC(C)n1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 306123470 AODHQLWZAFNRIE-HUUCEWRRSA-N 369.473 1.252 0 40 FDAB C[C@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cncc(Cl)c3)c2C1 408500144 OEAMICGNTUMUFQ-VIFPVBQESA-N 354.819 1.633 0 40 FDAB COC(=O)CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 32641259 PFGIUDACKVWLCZ-CYBMUJFWSA-N 359.831 1.071 0 40 FDAB COc1cc2ncn(CCC(=O)NCc3ccncc3)c(=O)c2cc1OC 31819153 PAUFWSPKBQMESP-UHFFFAOYSA-N 368.393 1.515 0 40 FDAB C[C@@H]1CCN(c2cc(C(=O)N3CCN(c4cnccn4)CC3)ccn2)C1 530981146 FVVQYUDFKBPOCH-OAHLLOKOSA-N 352.442 1.680 0 40 FDAB CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2CC(=O)NC2CCCCC2)C1 72372848 DRVCDDROAGWNCN-INIZCTEOSA-N 374.489 1.226 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(c2ccncc2)CC1 70895871 RRFACUDSVDZVFX-UHFFFAOYSA-N 370.428 1.870 0 40 FDAB Cc1cc(C)nc(N2CC=C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)n1 72324146 QDLDJADKOPQVJH-HNNXBMFYSA-N 352.394 1.883 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)[C@H](C)n4cccn4)nnc23)n1 225748451 MYLAAXVVVFFEIS-JTQLQIEISA-N 352.358 1.162 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 328919998 AVTMZLLEDZXIKZ-BZUAXINKSA-N 358.446 1.511 0 40 FDAB COc1ccc([C@H]2CN(C)C[C@@H]2NS(=O)(=O)N2CCCCC2)cc1 91617056 FZTRHPKRWULPEU-SJORKVTESA-N 353.488 1.413 0 40 FDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccco2)CC3)C1=O 96036487 DUSBTXXZWLKODM-HXUWFJFHSA-N 359.470 1.963 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cc(C)on4)CC3)[C@@H]1CN(C)C2 96143839 ZHPOEVZYJAGSSS-HNAYVOBHSA-N 360.458 1.293 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1c1ncccn1 96240400 HJEQCCPVKLGANS-OAHLLOKOSA-N 355.442 1.952 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)c1 248025169 NQAWGWHGGXHHRG-DJIMGWMZSA-N 364.467 1.253 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)[C@@H](O)CO 253590284 FFPUNPBUZDTHJI-RSVDHACXSA-N 368.514 1.445 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 257282037 OSAZHSFKZIAALC-QGZVFWFLSA-N 374.462 1.940 0 40 FDAB CC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)on1 257257169 KOISKJZLPXSQKU-GOSISDBHSA-N 359.430 1.377 0 40 FDAB CCOC(=O)C1CCC(NC(=O)c2cn(C3CCOCC3)nn2)CC1 589329134 XPSHBTFHTLRBBQ-UHFFFAOYSA-N 350.419 1.481 0 40 FDAB CCC[C@H](C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1)S(N)(=O)=O 618352717 UTYFMOBOCXBHGW-DLBZAZTESA-N 367.515 1.219 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NC[C@@H]2CCC(=O)N2)c1 619138735 PPCJGITWQQEMJB-IRXDYDNUSA-N 357.454 1.693 0 40 FDAB O=C(Cn1ccc(C(F)F)n1)N[C@H]1CCS(=O)(=O)c2ccccc21 623720064 UMWKYUYSKFYBPL-NSHDSACASA-N 355.366 1.856 0 40 FDAB CO[C@@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)[C@](C)(C(=O)O)C1 630473918 NGHMUQLUHQVKNF-LPHOPBHVSA-N 372.425 1.705 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)NCCOc2ccccc2)cn1 630657148 UKMKSBCEWQBWQX-CVEARBPZSA-N 358.398 1.037 0 40 FDAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 635015542 GDKHTFACFZKJDR-INIZCTEOSA-N 352.818 1.726 0 40 FDAB COc1cc(C(=O)N2CCN(CC(F)(F)CO)CC2)c2ccccc2n1 636134347 IFDZPDJIVXQMKB-UHFFFAOYSA-N 365.380 1.629 0 40 FDAB COc1ccc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)cn1 641047602 LYHFXOGJYSYIAT-UHFFFAOYSA-N 358.446 1.338 0 40 FDAB CCOc1cccc(S(=O)(=O)N2CCC[C@]2(COC)C(=O)NC)c1 643703779 BWPRFBFLCYBERO-INIZCTEOSA-N 356.444 1.001 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1noc(-c2ccccc2F)n1)[C@@H]1CCOC1 656734386 LOGVKDVYMZGZQC-ZWNOBZJWSA-N 371.390 1.669 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(-n3cncn3)nn2)cc1OC 96103357 QPYXFDZHSBCEIF-UHFFFAOYSA-N 354.370 1.047 0 40 FDAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 646034667 AEWYOKABDMXFFO-OAHLLOKOSA-N 353.440 1.823 0 40 FDAB CN1CCC[C@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585284151 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370.388 1.345 0 40 FDAB CCS(=O)(=O)Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 812559 XWYLSWHLAGOSQI-GOSISDBHSA-N 374.418 1.861 0 40 FDAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)cc1 1344188 MENRFQLQUXINHZ-MRXNPFEDSA-N 372.473 1.723 0 40 FDAB C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3ccco3)cn2)C[C@H](C)O1 32930446 SCLLXOGGHMXWGC-KBPBESRZSA-N 372.425 1.334 0 40 FDAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 4559887 IHIIXTOFXQNUHT-WOYTXXSLSA-N 351.399 1.116 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 103136768 NRSPOXZIUNTYIF-KCQAQPDRSA-N 353.513 1.529 0 40 FDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@H](O)C1 22738102 FDGYOJUAZVHWRT-AWEZNQCLSA-N 364.423 1.355 0 40 FDAB CCOc1ncccc1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 23101866 AJJDSLGSEATAGT-YJYMSZOUSA-N 374.441 1.597 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C)C(=O)N1CCNC1=O 24202231 KDFIITXMUBYEIQ-WBMJQRKESA-N 371.393 1.434 0 40 FDAB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24610954 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FDAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000121 GIVKVALVDZENMS-UHFFFAOYSA-N 353.378 1.656 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2nccs2)CC1 14121654 XXCDJCMULPTAOG-UHFFFAOYSA-N 367.452 1.425 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@H]3C(=O)N(C)C)CC2)c1 22516550 XVTWSZNTGMSZDC-IBGZPJMESA-N 372.513 1.192 0 40 FDAB O=C(Nc1ncn[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6759135 OXHZMYYLWJVNRU-NSHDSACASA-N 355.807 1.250 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2C1=O 7407657 DLYSZTWMFYYWRY-UHFFFAOYSA-N 369.352 1.519 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c1 16084896 ISTVIVMVBCSNLF-UHFFFAOYSA-N 362.367 1.447 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 7984962 RNNLQJQMOQCADE-UHFFFAOYSA-N 364.379 1.171 0 40 FDAB O=C([C@H]1CN(C(=O)c2ccccc2)c2ccccc2O1)N1CCOCC1 16964266 LYRNPHNQMAEFNX-GOSISDBHSA-N 352.390 1.953 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCCc1nc2ccccc2[nH]1 9743353 WKAHUFUBTVGJCX-UHFFFAOYSA-N 362.389 1.908 0 40 FDAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 9762293 XWMZCWPHWHCINE-UHFFFAOYSA-N 354.453 1.545 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)cc1 408596409 UUKZNIQSQYBKJU-STQMWFEESA-N 358.460 1.293 0 40 FDAB COC[C@H](C)Nc1nc(N[C@@H](C)COC)nc(OCC(F)(F)F)n1 95431444 NCEACDSVHNYPFV-IUCAKERBSA-N 353.345 1.706 0 40 FDAB CN1CCC[C@@H]1CCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 89427982 KXPZKQLRVAYPEN-UYAOXDASSA-N 356.514 1.894 0 40 FDAB C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@H]1CN(c1nc3ccccc3o1)C2 1052505487 YTQNYOIZLUTTCD-WTOJCKNJSA-N 354.410 1.249 0 40 FDAB NC(=O)C1CCN(C(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)CC1 89866569 ZTCXRHUUDAFSIQ-UHFFFAOYSA-N 366.465 1.981 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3cccs3)C1)OC2 306142901 XNTQCCVGJNZOEA-QGZVFWFLSA-N 362.455 1.222 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1)N1CCCC1 21708719 CBZHDUNMBHRPIA-UHFFFAOYSA-N 369.263 1.157 0 40 FDAB O=S1(=O)[C@@H]2[C@H]3CN(Cc4ccncc4)C[C@@H](O3)[C@H]2CN1c1ccccc1 306124032 BDRMWUTVQOJJMU-MKXGPGLRSA-N 371.462 1.499 0 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CCn1cc(NC(=O)Cn2nc(-c3ccccc3)c(OC)cc2=O)cn1 96184128 RPDYPAQRQSDUPM-UHFFFAOYSA-N 353.382 1.774 0 40 FDAB Cc1nc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c2cnn(C)c2n1 583615121 DZKUGNPPDCHJEM-QGZVFWFLSA-N 356.434 1.332 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 96036748 PPSSQQOGSFDIRF-MRXNPFEDSA-N 358.417 1.658 0 40 FDAB Cc1cc(CN2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)no1 96039788 YJISKDPLPTZYPC-SJLPKXTDSA-N 351.447 1.459 0 40 FDAB COc1ccc(CN2CCOC[C@]3(C2)CN(c2ccoc2)C(=O)CO3)cc1 96051401 UBBKSAWYUVGZBD-FQEVSTJZSA-N 372.421 1.923 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccncc2)C1 248140599 BUNXXQDEGKHLST-DOTOQJQBSA-N 351.472 1.540 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1CN(c2ncccn2)Cc2ccnn21 247468242 DJIOUPWTMRFLAS-HNNXBMFYSA-N 354.439 1.655 0 40 FDAB CCc1ncnc(O[C@@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)c1F 240122405 VYQSFBWACZIITA-CQSZACIVSA-N 372.400 1.588 0 40 FDAB Cc1ccc2nc(C(=O)N3CCOC[C@@H](Cc4ccncn4)C3)cn2c1 257263614 LQTIKHSXJWZSSZ-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB Cc1nccc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)n1 257258907 KWAXVDMLKLCAMW-IAGOWNOFSA-N 370.384 1.176 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(S(=O)(=O)c2cccs2)CCO1 257302714 SDZFKAJJDYGAGJ-NSHDSACASA-N 354.457 1.366 0 40 FDAB CC(=O)N1CC(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)C1 257200472 ADMMQUYJHSHLAS-FXAWDEMLSA-N 355.438 1.130 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)Cn2c(C)nc3ccccc32)[C@H]1O 257208532 BMNPMQAWGJKNNA-SZVBFZGTSA-N 353.426 1.730 0 40 FDAB Cc1c(C(=O)N2CCOc3c(F)ccc(F)c32)nnn1-c1ccn(C)n1 650779208 UUVIMWHCWJXNFP-UHFFFAOYSA-N 360.324 1.627 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)c2c(C)n[nH]c2n1 653183688 IKQRXOBABQHDOA-SQWLQELKSA-N 357.458 1.933 0 40 FDAB CCn1c(O)nc2ccc(C(=O)N3C[C@H](C)S(=O)(=O)[C@H](C)C3)cc21 655092026 RYBPAOOMFNHZLJ-PHIMTYICSA-N 351.428 1.409 0 40 FDAB COc1ccc(CN2CCCN(C(=O)NCc3cn(C)nn3)CC2)cc1 679950269 NAGBUEGHHGVPDN-UHFFFAOYSA-N 358.446 1.241 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](C2CCCCC2)C1 680416012 BQCPMYIRRJZAOF-JKSUJKDBSA-N 358.504 1.608 0 40 FDAB O=C1CN(C(=O)CCC(=O)N2CCC(Cc3ccccc3)CC2)CCN1 604419679 SXGVKCSFEOWJCL-UHFFFAOYSA-N 357.454 1.206 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1c1ccnn1C 1615546400 GVFVWJIPAJFSGE-HZPDHXFCSA-N 355.442 1.223 0 40 FDAB O=C(NS(=O)(=O)C1Cc2ccccc2C1)C(F)(F)C1CCOCC1 1119506030 XXWXYJLWDLVZNW-UHFFFAOYSA-N 359.394 1.662 0 40 FDAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 96025755 CAUDSFZXBIZNJL-GFCCVEGCSA-N 368.436 1.513 0 40 FDAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 96121837 WBBKMAWLAQTULR-UHFFFAOYSA-N 364.876 1.167 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095730 GJGGVKQYPKNYSH-XOKHGSTOSA-N 353.426 1.524 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NC(=O)c3ccccc3F)cc2N1 585270853 DGOCXKWORIFBIU-UHFFFAOYSA-N 350.327 1.275 0 40 FDAB Cc1ccsc1CN1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 585112797 WQCQCCAKAULPLN-AWEZNQCLSA-N 354.501 1.749 0 40 FDAB C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 55992852 RSUXJCSWEPGGMA-PRHODGIISA-N 373.240 1.980 0 40 FDAB O=S1(=O)N=C(N2CCN(c3ncc(Cl)cn3)CC2)c2ccccc21 748274124 UMEBCWMJFFRQEN-UHFFFAOYSA-N 363.830 1.401 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 11037304 ZMWBUQFLJNJWCL-UHFFFAOYSA-N 374.418 1.076 0 40 FDAB C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCO1 12220950 XVTHLVBNNRGHCE-MRXNPFEDSA-N 374.409 1.367 0 40 FDAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 13673198 RKLFJJMNKPGDMB-UHFFFAOYSA-N 362.407 1.878 0 40 FDAB COc1ccc2cc(C)c3nn(CCNC(=O)[C@@H]4CCCO4)c(=O)n3c2c1 19126641 PERVXGASSZNEAK-INIZCTEOSA-N 370.409 1.261 0 40 FDAB CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797211 UPAMWYIETRQGAL-SWHYSGLUSA-N 365.904 1.667 0 40 FDAB Cn1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1=O 1888890076 MSTPSNZRQQLMPU-CALCHBBNSA-N 373.478 1.138 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3cccc(OCC)c3)nnc12 1419244 VGNBEPZAABECLP-UHFFFAOYSA-N 370.369 1.534 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N[C@H]1CCCc2ccccc21 3906849 JATVXLOZGGBNNT-ZDUSSCGKSA-N 355.419 1.945 0 40 FDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1cccc(N2C(=O)CCC2=O)c1 4079293 CMCJEHJEZFSQQH-UHFFFAOYSA-N 363.329 1.476 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccn1C)N(C)C 11898980 WQQFGMMPMOKLRV-INIZCTEOSA-N 358.442 1.069 0 40 FDAB CCn1cc(CN2CCO[C@@H]3[C@@H](CNC(=O)c4cnccn4)CC[C@H]32)cn1 2055725625 NNMPXYILNZZNCH-KBAYOESNSA-N 370.457 1.102 0 40 FDAB CC1=C(C(=O)OC2CCCCCC2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 19461913 ZHCUUKBAHUCMNI-UXHICEINSA-N 357.406 1.902 0 40 FDAB O=C(NCCCN1CCc2ccccc21)[C@H]1CC(=O)N(CC(F)(F)F)C1 40080475 KMCTUFNVVMPGDH-AWEZNQCLSA-N 369.387 1.966 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)[C@@H]1C 40073999 HTYFXNDBXJDGFA-MGPQQGTHSA-N 370.471 1.855 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2NCCc3ccccc32)c1=O 20410572 AVNAWCYTAVVXTB-KRWDZBQOSA-N 365.389 1.475 0 40 FDAB biogenic CCCCn1nc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1=O 21238869 NPTHXGHTMQVSER-UHFFFAOYSA-N 360.395 1.470 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)no1 102127515 OOXNRHZZPBFGQS-VXGBXAGGSA-N 363.370 1.030 0 40 FDAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 32759012 ZKAZVQAXSZONQH-AWEZNQCLSA-N 364.471 1.841 0 40 FDAB O=C(C1CC1)N1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 32902488 RJQWARCDYWURCO-IBGZPJMESA-N 371.462 1.696 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2c(c1)OCO2 7699020 GSSZIQLPHQUTCT-UHFFFAOYSA-N 350.352 1.324 0 40 FDAB O=C([C@H]1CN(Cc2cncc(Cl)c2)[C@@H]2CCO[C@H]12)N1CCCCO1 108524857 AQUXQGDXXLKITD-ARFHVFGLSA-N 351.834 1.878 0 40 FDAB COCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560289 ZINYHBXMNRPDBF-UHFFFAOYSA-N 356.444 1.246 0 40 FDAB C[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C[C@H](C)O1 23749086 QCIDXGIBRWAEQE-UWVGGRQHSA-N 359.348 1.268 0 40 FDAB CCn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 24002791 VBGJJBXRYRVXAY-UHFFFAOYSA-N 361.471 1.861 0 40 FDAB Cc1ccc2nc(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)n2c1 24032106 PNEOZVSJEISTMX-UHFFFAOYSA-N 352.394 1.554 0 40 FDAB CCOc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55387428 TUILNPIYUCFMNW-DLBZAZTESA-N 366.483 1.556 0 40 FDAB CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 25205634 QDGMUFZPCAOBBA-UHFFFAOYSA-N 355.460 1.038 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)no1 101452327 FZVHAHMWMSEPNE-DRRHNWJESA-N 355.350 1.179 0 40 FDAB CC[C@@H](C)NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506785 NADZIHDCVZNPEB-SNVBAGLBSA-N 367.500 1.930 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(=O)OC)c1C 23324032 MVGOXUITHXQZNP-UHFFFAOYSA-N 370.427 1.291 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 10088090 GDGHBRSTZKXZCS-SNVBAGLBSA-N 350.444 1.104 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)n(C)c2ccccc21 24662917 IQGYFJKPHYOIGG-CQSZACIVSA-N 367.405 1.638 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1c(=O)n(C)c3ccccc31)C[C@H]2O 36391017 TVQZRAOUHMCAIV-MRXNPFEDSA-N 369.421 1.864 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(OC)c(F)c1 12895761 NZIMMPCIVKEYIV-UHFFFAOYSA-N 366.414 1.814 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 48467287 GBJKLPDFLWOLMI-OYLFLEFRSA-N 352.456 1.916 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 3595952 OTZRLQDVYPZBBP-HXPMCKFVSA-N 373.409 1.912 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1 14084917 NFYBXPNYCLNRSH-AWEZNQCLSA-N 365.503 1.421 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)cc2C1=O 65562739 UUKLPIPOIQLNEA-CQSZACIVSA-N 373.434 1.050 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)c1 14168534 PPRLDTRNIIFURF-UHFFFAOYSA-N 370.361 1.676 0 40 FDAB O=C(CCc1n[nH]c(=S)[nH]c1=O)Nc1ccc2c(c1)OC(F)(F)O2 14200245 HXMCZXAAWCRJOB-UHFFFAOYSA-N 356.310 1.720 0 40 FDAB Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 408547341 ZBITVBIMLDAYMQ-HNNXBMFYSA-N 353.488 1.232 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1 6652991 PHJSUHKFLZTHJW-UHFFFAOYSA-N 368.455 1.496 0 40 FDAB CN(C)C(=O)COc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 66159969 UUHMSDIPLYWZKJ-MRXNPFEDSA-N 360.458 1.856 0 40 FDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(C(N)=O)cc1 7467566 UAGDZBQBRSGYTB-UHFFFAOYSA-N 370.405 1.984 0 40 FDAB CCOC(=O)C1CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 7663599 FXYIXCSGFHUTHC-ZDUSSCGKSA-N 359.426 1.635 0 40 FDAB CC1([C@H]2CCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)OCCO1 96011021 LLEFHFZZOZMBEA-OALUTQOASA-N 374.481 1.889 0 40 FDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCN(C3CC3)CC2)C1 96005397 MAYRGAJHLWCBLE-KRWDZBQOSA-N 369.531 1.277 0 40 FDAB COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1coc2ccccc12 96013380 ANVQKRDMQRAPRB-UHFFFAOYSA-N 366.376 1.795 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1Cl 7883150 MWDVPWTXDKFHID-GFCCVEGCSA-N 353.831 1.999 0 40 FDAB O=C(CNC(=O)C(=O)NCc1ccco1)Nc1cccc2ccccc12 9387888 ZYLQPDNHZXQLLE-UHFFFAOYSA-N 351.362 1.804 0 40 FDAB O=C(COC(=O)c1ccc(Cl)s1)NCCN1C(=O)CSC1=O 9515264 WRNZHHIWEFCIKB-UHFFFAOYSA-N 362.816 1.370 0 40 FDAB CN(C)C(=O)NC[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 306135450 ORAOVPRDKCDITH-SFHVURJKSA-N 357.458 1.728 0 40 FDAB COC(=O)CC1CCN(C(=O)Cn2nc3c(cc2=O)CCCCC3)CC1 72403101 ZBDRGNCSIDCYDB-UHFFFAOYSA-N 361.442 1.314 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)n1 95472573 WHYGITQSEHUSHK-UHFFFAOYSA-N 374.378 1.775 0 40 FDAB COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccncc2)C1 95983677 HTUSXPGRSXZWEJ-OAHLLOKOSA-N 361.442 1.639 0 40 FDAB CCCNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063977 UAULGKMXZYIDHC-UHFFFAOYSA-N 354.428 1.741 0 40 FDAB COc1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)cc1NS(C)(=O)=O 89547929 VOYDGRHQCTUSAW-UHFFFAOYSA-N 366.399 1.019 0 40 FDAB O=C(CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)Nc1ccccc1 89845650 PSIHYNVTVQJQJJ-LJQANCHMSA-N 371.412 1.954 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 22786170 JWQKLQWDZAXNHG-MRXNPFEDSA-N 358.486 1.527 0 40 FDAB COc1ccccc1OCc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)o1 27980226 CNUURADQWCPLQX-LBPRGKRZSA-N 365.407 1.784 0 40 FDAB O=C(O)[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504909 NQRJUERJIVZLHG-HLLBOEOZSA-N 350.367 1.829 0 40 FDAB CCN1CCN(c2ncc3c(=O)n(Cc4cccnc4)ccc3n2)CC1 39404017 JYFDPXLZWVTQQJ-UHFFFAOYSA-N 350.426 1.377 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 567556577 ZALRSKQBCOVCLQ-NRXISQOPSA-N 368.499 1.579 0 40 FDAB CC(=O)NC[C@@H]1CN([C@H](C(=O)O)c2cccc(Br)c2)CCO1 566360018 OPLGNFIDIBFOHL-KGLIPLIRSA-N 371.231 1.412 0 40 FDAB Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C(C)C)CC2 72346823 FJLLWOJHNMXYOU-UHFFFAOYSA-N 374.485 1.541 0 40 FDAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCC(C(N)=O)CC1 225433594 ZNUJJIMXXGBXPT-JTQLQIEISA-N 361.373 1.872 0 40 FDAB biogenic,in-vitro C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 77100094 JZKFZVHTTKLQNV-ZBEGNZNMSA-N 367.365 1.133 0 40 FDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc21 225842989 YZNCLWCSRJJQIL-UHFFFAOYSA-N 373.434 1.289 0 40 FDAB COc1cc(C(=O)NCc2cc(C)nc(N(C)C)n2)cc(OC)c1OC 224233184 KPSYMPFLMLSHBC-UHFFFAOYSA-N 360.414 1.807 0 40 FDAB Cc1cccc(OCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 223960593 LURXQBJRYCXWAL-OAHLLOKOSA-N 354.472 1.470 0 40 FDAB O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(S(=O)(=O)C1CC1)C2 96159772 ZIGBMEQRWSAEIL-KRWDZBQOSA-N 352.431 1.742 0 40 FDAB CS(=O)(=O)c1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cc1 96112799 SBGVQTGPKVJTMR-AWEZNQCLSA-N 372.450 1.696 0 40 FDAB biogenic,in-vitro CC(C)NC(=O)N1CCN(Cc2ccccn2)C[C@@]2(CC(=O)N(C)C2)C1 97952766 IXEYVGKSNJNTKK-IBGZPJMESA-N 359.474 1.166 0 40 FDAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)CC1 96228462 BLKRFBJFMNTCBA-PXNSSMCTSA-N 358.486 1.340 0 40 FDAB CCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251376 PCGMUGRBNQDALC-JXFKEZNVSA-N 371.485 1.458 0 40 FDAB COc1ccc(CN2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3C2=O)cc1 96080755 SFNWLQZVZMVUKP-CJNGLKHVSA-N 350.440 1.078 0 40 FDAB CCN1C[C@@]23CN(C(=O)c4cccc(Cl)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146038 ALXLEDGPCNFJIE-YCPHGPKFSA-N 370.858 1.357 0 40 FDAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4cnccn4)C3)CC2=O)cs1 96239370 CUHRISKWSHOWOP-QGZVFWFLSA-N 357.439 1.506 0 40 FDAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3ccc4ccccc4c3)C[C@@H]21 247533953 PWHQKAIAUCQIJD-KZNAEPCWSA-N 374.462 1.476 0 40 FDAB COCCNC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ncn(C)c21 248073564 YAVIVGBWLLQQIT-MRXNPFEDSA-N 367.453 1.763 0 40 FDAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1cccnc1 253590882 GVZVFYCHPWWOPQ-HNNXBMFYSA-N 355.442 1.256 0 40 FDAB O=C(Cc1ccc(F)cc1F)NCCn1nnc2ccc(F)cc2c1=O 253407405 WIZQKKDYVVLLAU-UHFFFAOYSA-N 362.311 1.568 0 40 FDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257296031 RAXAXMCMXMOVTD-LJQANCHMSA-N 357.458 1.816 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 257203866 ARZILKHSUQMVIM-CQSZACIVSA-N 353.386 1.028 0 40 FDAB O=C(O)CC1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 262387596 FDTFVPGJBBOPCC-OAHLLOKOSA-N 351.447 1.628 0 40 FDAB CC(=O)N[C@]1(c2nc(C)no2)CCN(Cc2cnc3ccc(C)cn23)C1 643722706 PVXNFRSCRZKGKK-GOSISDBHSA-N 354.414 1.571 0 40 FDAB Cn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644072392 HWKSNXYBUBDYHY-UPJWGTAASA-N 356.264 1.505 0 40 FDAB Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H](Cc1ccncc1)C(=O)O 655599150 KVSJGCQFQWEWQY-MRXNPFEDSA-N 367.409 1.486 0 40 FDAB CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCc1nc(-c2ccco2)no1 1775960969 OPDDYPRIMGHLEB-SCRDCRAPSA-N 374.397 1.109 0 40 FDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2ccnn21 585112029 KGIROLBZTDDUFK-GFCCVEGCSA-N 368.846 1.418 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585098739 YQIAKRVYEMREQE-WWGRRREGSA-N 356.426 1.894 0 40 FDAB COc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCO 585262520 JYWXHFRYRIOQGG-KRWDZBQOSA-N 361.438 1.938 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3scnc3C)C2)OC1 585103670 CMOOGFHDUOQWHM-CYBMUJFWSA-N 359.517 1.372 0 40 FDAB COCCNC(=O)C[C@@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1 585099050 GUCFAKHDTATURZ-MRXNPFEDSA-N 359.474 1.315 0 40 FDAB Cc1cc(C)cc(C2(C(=O)NCCN3CCS(=O)(=O)CC3)CC2)c1 77178171 TVQBEJGJYPPGQJ-UHFFFAOYSA-N 350.484 1.182 0 40 FDAB C#CCOc1ccc(Cl)cc1/C=C1\NC(=S)N(CC(=O)OC)C1=O 8091978 IFAZPSKXJQXZME-WQLSENKSSA-N 364.810 1.583 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2cccnc2)c1 12118152 LFFFAQFOCVYFKL-FUHWJXTLSA-N 355.394 1.849 0 40 FDAB CN1[C@@H](C(=O)N2CCCCCC2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129772 XTQFWRHJCUNOBV-JKSUJKDBSA-N 369.462 1.808 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1OCC 17319726 BHEPMEOXMPUJIT-UHFFFAOYSA-N 358.460 1.095 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)n1 19290872 FROKTSUHKGWNCA-ZDUSSCGKSA-N 350.382 1.195 0 40 FDAB O=C(Cc1ccccc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19370278 GARXZPZCMMMIBI-CQSZACIVSA-N 351.366 1.669 0 40 FDAB CCn1cc(-c2cc(C(=O)NC3=NS(=O)(=O)c4ccccc43)no2)cn1 19719249 NTLSNFRYTRGUBY-UHFFFAOYSA-N 371.378 1.437 0 40 FDAB CN1CCO[C@H](c2c(C(=O)N3CCNC(=O)C3)sc3ccccc23)C1 19696891 LQXSYPRTGFWTEL-ZDUSSCGKSA-N 359.451 1.476 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)C1CC1 7087779 FCXWEZBZOXNTLR-VVVCHXIZSA-N 351.353 1.647 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4n[nH]cc34)C[C@@H]2C1 1888926473 WRUFJMMAYJVPEW-BETUJISGSA-N 370.438 1.110 0 40 FDAB C[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)N(C)C 28948344 UHUFKCTZIGIGCD-VIFPVBQESA-N 353.473 1.451 0 40 FDAB COc1ccc2nnc(CNC(=O)CCc3c[nH]c4ccccc34)n2n1 238879913 OZNWTQVCINWWMR-UHFFFAOYSA-N 350.382 1.863 0 40 FDAB CCc1ccc(C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)cn1 1565553593 FMRUBFLGRWHCEB-UHFFFAOYSA-N 363.425 1.899 0 40 FDAB O=C(c1cc(F)ncc1F)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565555775 HEBMDCDGIUGWDZ-XJKSGUPXSA-N 363.364 1.926 0 40 FDAB CCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4248604 HNGBPPFQQXZLSV-UHFFFAOYSA-N 353.382 1.383 0 40 FDAB CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3=COCCO3)o2)c1 5241455 DFUOMRRWZLELKP-UHFFFAOYSA-N 365.367 1.461 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2[C@@H]1C 8710216 RMVHGSAOVWCXEP-SNVBAGLBSA-N 372.816 1.961 0 40 FDAB Cn1cccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c1=O 42379684 XZVNXAZIOPETPN-UHFFFAOYSA-N 356.407 1.101 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(COCc2ccccc2)CC1 49028673 FRIZCWRNSVUBML-UHFFFAOYSA-N 371.437 1.382 0 40 FDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 575415607 GITOFMNJNOCSRZ-OAHLLOKOSA-N 366.439 1.609 0 40 FDAB Cc1cc(-c2noc(CNS(=O)(=O)c3cn(C(C)C)cn3)n2)no1 585149446 SQROCOLNGVQEMA-UHFFFAOYSA-N 352.376 1.289 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncnc3[nH]cnc23)C1 585605718 GXFRXXQAAVVSNQ-UHFFFAOYSA-N 360.381 1.108 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CCN(C[C@H](O)c2ccco2)CC1 85436716 GZNPFNUFUTUODN-HNNXBMFYSA-N 358.423 1.776 0 40 FDAB CC(C)(C)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 16213671 FTYDRMHDLHPTOK-UHFFFAOYSA-N 357.501 1.792 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1csc(-c2ncccn2)n1 40153538 CJBLRICXEHPRPK-ZDUSSCGKSA-N 367.500 1.504 0 40 FDAB O=C(Cn1ccccc1=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 40072286 CKVMPIHOHACDIQ-UHFFFAOYSA-N 358.373 1.364 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 40154068 SKKOYNAJOGPFTQ-MGNBDDOMSA-N 370.365 1.091 0 40 FDAB COc1ccccc1N1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 102348252 VVQRUZQWXIOJRE-IYBDPMFKSA-N 355.438 1.726 0 40 FDAB COc1cc([C@H]2[C@@H]3[C@@H](C)N(C)C(=O)N(C)[C@@H]3N(C)C(=O)N2C)ccc1O 1025817 DBLJYIVEHBFBMD-GCUJQHFUSA-N 362.430 1.767 0 40 FDAB biogenic Cc1csc([C@@](O)(CC(=O)N[C@@H]2CCCCNC2=O)C(F)(F)F)n1 70004647 OBSPSCBVEHUZAD-RNCFNFMXSA-N 365.377 1.376 0 40 FDAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCc3nncn3CC)ccc2NC1=O 78953523 FUQCKERHGNNKGX-RISCZKNCSA-N 372.429 1.968 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1c(Cl)cccc1Cl 4619576 YCIFNFMOUNAELF-UHFFFAOYSA-N 368.180 1.369 0 40 FDAB COc1ccc(C(=O)NCCN(CCO)C(=O)c2ccc(OC)cc2)cc1 6793499 CRVCPUGCUUWPLI-UHFFFAOYSA-N 372.421 1.568 0 40 FDAB CC1(C)NC(=O)N(CCC(=O)OCc2nnc(-c3ccccc3)o2)C1=O 7558516 SPIASSOCHDHRFX-UHFFFAOYSA-N 358.354 1.500 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081191 SCFSYXWTXWATKA-MWDDYTRKSA-N 357.337 1.359 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298456 DZSZSFDLBIDLDC-QBIMZIAESA-N 367.453 1.640 0 40 FDAB biogenic,in-vitro Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 22382663 AZSDACFQKNOMQH-GFCCVEGCSA-N 363.439 1.855 0 40 FDAB Cc1cccc(-n2c(C)nnc2SCc2cc(=O)n3nc(N)[nH]c3n2)c1 103936754 UBSCVNYMAYJZSS-UHFFFAOYSA-N 368.426 1.490 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)no2)cc1 23953535 WFIRIXNHPFFPJH-UHFFFAOYSA-N 351.428 1.944 0 40 FDAB O=C(NCCn1cc(Br)cn1)c1ccc2c(c1)OCCO2 28247077 ZEXBKNOAUDAUMW-UHFFFAOYSA-N 352.188 1.847 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCC2(c3ccccc3)CCCCC2)nn1 56971755 VVTNLBSGSYESLS-UHFFFAOYSA-N 369.469 1.998 0 40 FDAB Cc1cc(=O)oc2c(C)c(OC[C@H](O)CN3CCC(C(N)=O)CC3)ccc12 35686206 DIGPTNCXZVGUHV-OAHLLOKOSA-N 374.437 1.347 0 40 FDAB COc1ccc(CCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58245249 FVRXSFZVKMHWQC-UHFFFAOYSA-N 354.472 1.510 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc3[nH]cnc3c2)c1 25125477 AGTXYUOEXLUUDL-UHFFFAOYSA-N 372.450 1.888 0 40 FDAB CCOC(=O)c1[nH]c(CSc2nnnn2C)c(C(=O)OCC)c1C 3331506 DDHBFUMWWYWUMS-UHFFFAOYSA-N 353.404 1.492 0 40 FDAB C[C@H](C(=O)OCn1nnc2ccccc21)N1C(=O)C(=O)c2ccccc21 59319709 JNSHRJWKXIHRHO-LLVKDONJSA-N 350.334 1.550 0 40 FDAB C[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1Cl 12857265 BVDHLJUFXYDDPC-GFCCVEGCSA-N 357.801 1.960 0 40 FDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)CC2(CCCC2)C1=O 12911079 YPBKVWHYSGKSOI-LBPRGKRZSA-N 358.394 1.739 0 40 FDAB Cc1cc(C)c(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)c(C)c1 4251405 PRALICQUNZIAQE-UHFFFAOYSA-N 358.427 1.777 0 40 FDAB Cc1nc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n(CC(C)C)c1C 5152027 NWACQTGNGZABBB-ZDUSSCGKSA-N 359.517 1.551 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNc2ccc3nnnn3n2)s1 14141035 SWGGXIRXJVIPRP-UHFFFAOYSA-N 367.460 1.223 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O 14242453 UYEOSZIWVIALIX-HXUWFJFHSA-N 370.453 1.051 0 40 FDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(F)ccc21 4686453 FMHXXMRQTXBOHB-HNNXBMFYSA-N 350.375 1.347 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccn3)CC1)C2=O 7074700 PFJBRJDSKODWTN-BEFAXECRSA-N 357.458 1.662 0 40 FDAB CN1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 19369714 MOQULQNPQAOHCR-HNNXBMFYSA-N 373.291 1.453 0 40 FDAB C[C@@H](C(=O)c1c[nH]c2ccccc12)n1cnc2c1c(=O)n(C)c(=O)n2C 8011918 QYHZQGMYSNSLJU-JTQLQIEISA-N 351.366 1.359 0 40 FDAB CC(C)Cn1c(N)c(-c2csc(-c3ccccn3)n2)c(=O)n(C)c1=O 9451913 ATHAYUBWRGZMBI-UHFFFAOYSA-N 357.439 1.971 0 40 FDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(=O)[nH]c1 9479397 SIZQRGVATSYEJC-UHFFFAOYSA-N 357.366 1.247 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)NC3CCCC3)C[C@H]21 306134095 NDGPJPDCNYSFRJ-JSGCOSHPSA-N 361.446 1.057 0 40 FDAB CCN(C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CCN(c2ccccc2)C1=O 72289074 ZTBJPNWBDZUCRO-HNNXBMFYSA-N 370.413 1.028 0 40 FDAB COC(=O)c1cc(F)ccc1S(=O)(=O)NCCc1csc(C)n1 95442280 FIXAJINHZNFAEP-UHFFFAOYSA-N 358.416 1.898 0 40 FDAB Cn1cc(S(=O)(=O)N2CCC(CN3CCc4ccccc43)CC2)cn1 95957606 YRUZCLMMQJXMCN-UHFFFAOYSA-N 360.483 1.884 0 40 FDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2[nH]nc(C)c2C)c1 95972478 ADZALECRNNVADI-UHFFFAOYSA-N 357.457 1.848 0 40 FDAB O=C(CCCn1c(Cc2ccncc2)nnc1N1CCOCC1)NC1CC1 1505342605 BINJDQXDZSAAFE-UHFFFAOYSA-N 370.457 1.159 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38728977 SRTMXFLSZCZLMV-DLBZAZTESA-N 358.438 1.804 0 40 FDAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)NC1CC1 73743391 OQNUEZPLBVYFAB-UHFFFAOYSA-N 351.406 1.876 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 39984319 HESAPCQQBUJAIW-UHFFFAOYSA-N 367.361 1.912 0 40 FDAB Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(-n2cnnc2)c1 70461912 CVPJVCUHBHAKGG-UHFFFAOYSA-N 354.439 1.873 0 40 FDAB COc1ccccc1N1CCN(Cn2nc3c(cc2=O)CCCC3)CC1 73140424 XHLSDFVTFZNYBJ-UHFFFAOYSA-N 354.454 1.910 0 40 FDAB CC(C)CN1C[C@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O 40087028 XPKHWUKZLMJNGD-GOSISDBHSA-N 372.513 1.429 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)/C=C/c3cccnc3)n2)n1 75163007 KPAXMBOVGFROPH-FNORWQNLSA-N 364.409 1.270 0 40 FDAB COc1cncc(O[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1 225397104 SIXZZGFSJRTTJO-TUPIDYKKSA-N 361.423 1.939 0 40 FDAB CCS(=O)(=O)C1CCN(C(=O)NC2CCN(CC(C)C)CC2)CC1 192462955 DBYWFUQMRKFGFQ-UHFFFAOYSA-N 359.536 1.716 0 40 FDAB NC(=S)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391544 PALDLPJOCXXZJD-UHFFFAOYSA-N 355.358 1.032 0 40 FDAB Cn1nc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)ccc1=O 42379916 VTLSPGHDUIMPLP-LLVKDONJSA-N 371.422 1.912 0 40 FDAB O=C1CC[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)[C@H](c2ccccc2)N1 571983643 AEIJNZYJZCVTLD-HIFRSBDPSA-N 358.410 1.971 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@]2(C)CC(c3cccs3)=NO2)CC1 226749745 OQOVFEIFBLQOLB-MRXNPFEDSA-N 351.428 1.932 0 40 FDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2 96083582 WBLTUYHQXRAETB-VHDGCEQUSA-N 356.419 1.128 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 96226145 QHXCIBBQLCFMLM-QAPCUYQASA-N 358.398 1.255 0 40 FDAB COCC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145362 TZHSLUDPRZRECS-HZPDHXFCSA-N 352.456 1.086 0 40 FDAB O=C(COC[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2)N1CCCC1 96220512 FBCVBIWCYQITNY-QUCCMNQESA-N 359.470 1.702 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc1O2 96079906 LIQSOWLKBMRMEZ-HNNXBMFYSA-N 364.467 1.831 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1nc(C)cs1)CC2 247936712 DUVZGDIIYSHNET-CQSZACIVSA-N 373.544 1.572 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1 255189905 SWJZYMIMFABQEN-CQSZACIVSA-N 366.464 1.728 0 40 FDAB Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2N)cc1 255187703 GGFSSBDTJHYMMY-UHFFFAOYSA-N 354.453 1.660 0 40 FDAB CCn1nccc1-c1cc(C2CCN(S(=O)(=O)N(C)C)CC2)ccn1 257234072 GRYAWXGLVKWYTK-UHFFFAOYSA-N 363.487 1.951 0 40 FDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1 257274725 NMJKLBSSWYOMAE-BDXSIMOUSA-N 366.433 1.179 0 40 FDAB Cc1nnc(COC2CN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)C2)o1 644215291 WPMHBTMQUIFFJM-KXBFYZLASA-N 355.394 1.846 0 40 FDAB Cc1nnc(CNC(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)n1C 644352946 YNFVXJULHJKHSJ-IBGZPJMESA-N 357.458 1.157 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1c[nH]nc1-c1ccccc1F)N(C)C2 644452939 UACNVSOEWKBJGY-AWEZNQCLSA-N 355.377 1.568 0 40 FDAB COC(=O)[C@H]1CCn2c(nnc2-c2nn(C(C)C)c(=O)c3ccccc23)C1 601043497 BUZKVGDPMUBRDR-LBPRGKRZSA-N 367.409 1.971 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)c2c(C)n[nH]c2n1 653183686 IKQRXOBABQHDOA-LZWOXQAQSA-N 357.458 1.933 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCCCc2ccccc2)C1 674454230 XEECKNWNUBRPEM-DLBZAZTESA-N 351.468 1.671 0 40 FDAB CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(=O)n(C3CC3)c1)C2 1775956883 XLJOFXJYEUGPAF-HBXLWWENSA-N 359.470 1.393 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cnc2ccsc2c1 647927246 GGJMAOZVDMMFCO-CQSZACIVSA-N 356.425 1.551 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390830904 OFYQZUDJGHJOLI-UHFFFAOYSA-N 369.381 1.579 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2[nH]ccc2c1 575615192 CKIAVNLENIQNKL-INIZCTEOSA-N 361.467 1.549 0 40 FDAB C[C@@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cnccn1 585098020 QLEKMGQBPKYVQN-CYBMUJFWSA-N 354.414 1.055 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)n[nH]1 585108583 IJFYJBQQICFVLA-PMPSAXMXSA-N 374.372 1.597 0 40 FDAB CCCC[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)O 59961209 UBKLPQHGIRZRHG-KBPBESRZSA-N 352.387 1.033 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(CC(F)(F)F)CC1 188330179 QOARBOUNBTVAGN-UHFFFAOYSA-N 355.382 1.844 0 40 FDAB Cn1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1=O 661178881 BOASWQVVYKVXDU-CALCHBBNSA-N 351.406 1.002 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@H]3C)nc12 12117690 HTRGKUPYJKCMSL-CQSZACIVSA-N 371.441 1.498 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3cccnc3)C3CC3)ccc21 12362069 NGGYWAOCCCTXNF-UHFFFAOYSA-N 359.407 1.880 0 40 FDAB CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccncc2)no1 12529833 HENJWRSMPSKISI-ZFWWWQNUSA-N 350.382 1.702 0 40 FDAB biogenic,in-vitro CC(C)(C)NC(=O)CN1CCN(C(=O)c2coc(Br)c2)CC1 12917686 KVRTZDINIPAYGF-UHFFFAOYSA-N 372.263 1.715 0 40 FDAB Cc1cc(C)n([C@H](C(=O)NC2=NS(=O)(=O)c3ccccc32)C(C)C)n1 19659595 CKHJAPBYFJDACW-HNNXBMFYSA-N 360.439 1.962 0 40 FDAB Cc1cnc2c(C(=O)N3CCO[C@@](C)(C(=O)NC4CCCC4)C3)cnn2c1 19746930 CWAZEQFLQQJIHA-LJQANCHMSA-N 371.441 1.328 0 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O=C(N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccnnc1 2055739251 OWVDDBHDMACENR-GFCCVEGCSA-N 367.365 1.275 0 40 FDAB O=C(CC1CCOCC1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731765 TVLBPZLNDQGZOA-HUUCEWRRSA-N 363.458 1.031 0 40 FDAB Cc1cc(C)cc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c1 22997015 POEVGBJSGVRHGC-QGZVFWFLSA-N 363.458 1.397 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618256779 WXHSRJUFQIFCBV-UHFFFAOYSA-N 363.364 1.996 0 40 FDAB COc1ccc(Nc2cc(C)nc(NCCNS(C)(=O)=O)n2)cc1 42380935 KWOGAVNUZHIQKF-UHFFFAOYSA-N 351.432 1.498 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(O)cc1 32104701 LWXDIZPIXSIAEB-CYBMUJFWSA-N 353.378 1.500 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 51673849 CEFMTVVZKFKXJY-HOTGVXAUSA-N 370.446 1.703 0 40 FDAB CN(C)c1ccc(-c2noc(C(=O)NCCCN3CCOCC3)n2)cc1 20718176 HFCPYHBIOPIBBC-UHFFFAOYSA-N 359.430 1.255 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 32778297 AOMAVRIACGNNDM-CYBMUJFWSA-N 366.421 1.383 0 40 FDAB Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102374418 IECQJDHZFPLEGC-HZPDHXFCSA-N 370.405 1.106 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 814562 YLNGQDBBXZTQLR-GFCCVEGCSA-N 362.407 1.399 0 40 FDAB CCS(=O)(=O)C[C@H](C)NC(=O)COc1ccc(Br)cc1 78682036 DKPQVCXYQIRFSF-JTQLQIEISA-N 364.261 1.767 0 40 FDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1nnnn1C1CC1 32929888 IPRHHNROFRSCAJ-SECBINFHSA-N 369.834 1.603 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3nccs3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4906331 NVVNHYDQXQRFEH-FOKACVKASA-N 356.400 1.478 0 40 FDAB CNC(=O)NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087585 ADMFGKKHUVJVIX-UHFFFAOYSA-N 360.370 1.720 0 40 FDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCO2 6439045 PWMJZNWXMPEUBS-CYBMUJFWSA-N 371.349 1.186 0 40 FDAB O=C(Cn1nnc(-c2ccsc2)n1)c1c[nH]c(C(=O)N2CCCC2)c1 8543927 WOXNFWWTZLXBAC-UHFFFAOYSA-N 356.411 1.849 0 40 FDAB O=C(COC(=O)C1(O)CCCCC1)NC(=O)NCCc1cccs1 22473956 BTJFERDVTVPIBD-UHFFFAOYSA-N 354.428 1.355 0 40 FDAB Cc1c(NS(=O)(=O)c2ccc(N)cc2)c(=O)n(-c2ccccc2)n1C 702195 QLVNBMGCYQQDDV-UHFFFAOYSA-N 358.423 1.867 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1 851184 LGXVYMUFDRXPPG-KGLIPLIRSA-N 366.439 1.577 0 40 FDAB C[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104691695 FHVJNOOBLXSNLS-QCQGSNGOSA-N 368.437 1.436 0 40 FDAB Cc1cc(S(=O)(=O)NCCO)c(Br)cc1Br 54363024 XTBMBBZJCGUFKZ-UHFFFAOYSA-N 373.066 1.791 0 40 FDAB Cn1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1=O 23652432 MFEUAUVQDWUETH-UHFFFAOYSA-N 367.331 1.157 0 40 FDAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCNC(=O)c1ccco1)(C3)C2 25922813 XKBCOPGQIWOYRC-JNKARSBBSA-N 373.453 1.601 0 40 FDAB Cc1occc1C(=O)N1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 56864868 LZVZVZSYPRRIRW-OAHLLOKOSA-N 362.474 1.787 0 40 FDAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c(C)n1C(C)C 26169318 JNSJNHYFRMEWAU-UHFFFAOYSA-N 370.519 1.293 0 40 FDAB NC(=O)c1nnc2sc(-c3ccc(I)cc3)nn12 57339036 AYXMHEJWVLJQAP-UHFFFAOYSA-N 371.163 1.556 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 57280339 OQAHEHJVUFVZOG-UHFFFAOYSA-N 351.472 1.267 0 40 FDAB O=C1NCCN(S(=O)(=O)c2cc(F)cc(F)c2)[C@H]1c1ccccc1 58198437 WENULVKCLHZZHB-HNNXBMFYSA-N 352.362 1.827 0 40 FDAB CCN1C[C@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1=O 58231957 PSOWMPTZWGGBCI-WCQYABFASA-N 353.444 1.104 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)Cn1c(-c2cccs2)noc1=O)C(=O)OC 58216140 SDFSKISOUWZRTJ-BXKDBHETSA-N 353.400 1.269 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102815149 KOSFCNDKMPLCEK-AZHAFVHUSA-N 364.423 1.446 0 40 FDAB Cc1c([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)cnn1-c1ccc(F)cc1 45517970 VAIBMCKLRDFHQB-LLVKDONJSA-N 355.373 1.905 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 3331872 QFEMPIOXDCLFNL-GOSISDBHSA-N 350.422 1.816 0 40 FDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@H]1C[C@H]1C)c1ccccc1Cl 36758250 GCEYRTHUVHYVRO-OSMZGAPFSA-N 352.818 1.833 0 40 FDAB CCOc1ccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)cc1 12794578 ASKKOYGBXITMJN-UHFFFAOYSA-N 358.423 1.855 0 40 FDAB Cc1cc(C)n2ncc(C(=O)NCCS(=O)(=O)Cc3ccccc3)c2n1 48300623 JUPQLHUWQNGDFY-UHFFFAOYSA-N 372.450 1.691 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(F)c1 12987113 NTBXOQMPBNMMEB-UHFFFAOYSA-N 368.368 1.451 0 40 FDAB CCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)cc1 4177189 QYUPWROQYIIZKQ-MRXNPFEDSA-N 357.414 1.247 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 8894345 CLJUUJOXOWYFJZ-HXUWFJFHSA-N 364.357 1.992 0 40 FDAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCNCC2)cc1 5358490 WOXMQVAPYCIJBZ-CYVLTUHYSA-N 365.433 1.898 0 40 FDAB CC(C)n1nnnc1SCC(=O)N(C)C[C@H]1COc2ccccc2O1 14140880 NBTOKARLVYWTIV-LBPRGKRZSA-N 363.443 1.645 0 40 FDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F 6542533 SKTFPSDMLPPMQT-GFCCVEGCSA-N 365.430 1.932 0 40 FDAB COC(=O)c1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC)cc1 4649796 VJSBWJNRJPOCLH-RVZJWNSFSA-N 360.366 1.130 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 4942548 BECKWQGGBLSFNK-UHFFFAOYSA-N 369.420 1.297 0 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PCRXBBMUOOQBSS-INIZCTEOSA-N 359.426 1.561 0 40 FDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)COc1ccccc1)C2 96071525 WLBJEGQLMKCWER-KRWDZBQOSA-N 352.456 1.482 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230752 YEZNKYFKDZHBMC-GJRWTSMGSA-N 360.410 1.370 0 40 FDAB O=C(COC[C@@H]1CN(CC2CCOCC2)Cc2cncn21)N1CCCC1 247727112 DENGZKPMGGOVLJ-SFHVURJKSA-N 362.474 1.305 0 40 FDAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCCC(=O)O 257247295 IYIKAKUZVHWQSW-IBGZPJMESA-N 372.425 1.284 0 40 FDAB CS(=O)(=O)N1CCC(Cc2cnc(-c3cnc4ncccn34)cn2)CC1 257302954 SFDDCDYTTQUBHH-UHFFFAOYSA-N 372.454 1.400 0 40 FDAB CN(C)CCOc1cccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1 257292093 QJYCPUIILBVKCL-OALUTQOASA-N 372.469 1.662 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(c2cc(C(C)C)ncn2)CC1 673818929 USOBUWOVWCFFSP-UHFFFAOYSA-N 356.492 1.477 0 40 FDAB CC(=O)NCc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)cc1 681836755 JCIBMRIBHLREEO-HUUCEWRRSA-N 359.386 1.354 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(Cc2ccc3ccccc3n2)CCO1 681940803 CUGGVLVBHUSAGF-QGZVFWFLSA-N 357.410 1.369 0 40 FDAB COc1cccc(-c2noc(SCC(=O)N3CCOCCN3)n2)c1 615498450 DXEPKOQJRPTCEI-UHFFFAOYSA-N 350.400 1.201 0 40 FDAB O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)C1 575420850 FCSUPQHQRDODQL-KGLIPLIRSA-N 359.469 1.043 0 40 FDAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 585111487 BSUWHRPRTJTMKI-GFCCVEGCSA-N 373.384 1.873 0 40 FDAB Cn1cc(N2C[C@H](C(=O)NCCc3noc4ccccc34)CC2=O)cn1 585123908 MZURQRNJKKCAHW-GFCCVEGCSA-N 353.382 1.273 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)C1 585271534 HECYXCVSTNVSIJ-GOSISDBHSA-N 368.861 1.825 0 40 FDAB C[C@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)CC1(O)CCC1 585097328 KCWFFHBJABXZOB-ZDUSSCGKSA-N 357.414 1.460 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3c2ccn3C)C1 685942819 OTTQLTISMDWPOB-OGHNNQOOSA-N 353.426 1.591 0 40 FDAB C[C@H](C(=O)Nc1ccc(-c2cn3ccnnc3n2)cc1)N1CCCC1=O 72346649 WBJGLZRNUGJELM-GFCCVEGCSA-N 350.382 1.741 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)n(C(C)C)c3ncccc32)CC1 12144861 YFGRBCFGCGFQIN-UHFFFAOYSA-N 374.441 1.581 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1 12161086 IMRXXQOBWWCFDT-AWEZNQCLSA-N 356.386 1.731 0 40 FDAB Cc1cc(C)n(CCC(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)n1 12181476 UEPXMAQVHZPBKO-UHFFFAOYSA-N 370.457 1.158 0 40 FDAB COc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(C)n1 12224474 XAHBYEDAULKZJC-UHFFFAOYSA-N 366.418 1.444 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1 12338280 UJGWGQVDNQFEAF-UHFFFAOYSA-N 363.420 1.981 0 40 FDAB Cn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)sc2n(C)c1=O 12422760 QLCNWQAAGXOKIK-UHFFFAOYSA-N 355.419 1.892 0 40 FDAB CN1CCN(C(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)CC1 13609808 FLXDNHCDXUFEAU-UHFFFAOYSA-N 367.496 1.685 0 40 FDAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O 13667495 AFGIXFAUZUYTIZ-GFCCVEGCSA-N 361.895 1.481 0 40 FDAB CN(C)CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 13670555 XPJFKQPYGIGTRC-UHFFFAOYSA-N 361.467 1.803 0 40 FDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c1 14113099 AABHGGTYEKYDMH-UHFFFAOYSA-N 363.395 1.504 0 40 FDAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024902 UQEJBFKDYKPUQF-KZDUYQQSSA-N 355.438 1.862 0 40 FDAB CN(C)Cc1cc(-c2ccc(CNC(=O)Cn3ccnc3)cc2)nn1C 19288881 JKEUHSUNXCOWQU-UHFFFAOYSA-N 352.442 1.662 0 40 FDAB CC(C)(C)OC(=O)N1CC[C@]2(COCc3cnc(S(C)(=O)=O)nc32)C1 503853016 UNBGXDKKOSTRFB-MRXNPFEDSA-N 369.443 1.289 0 40 FDAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NC[C@H]1CCCO1 16980759 FBMHOTJUQDNTER-OAHLLOKOSA-N 373.457 1.417 0 40 FDAB COCCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C(C)=O)C2 19018061 XDLXZOIRKMEKKC-HNNXBMFYSA-N 362.430 1.177 0 40 FDAB CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888897263 GESMUJWIAHJVJV-UHFFFAOYSA-N 365.434 1.210 0 40 FDAB COCc1nsc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 1888906206 BKQPKAHUJIQEAZ-UHFFFAOYSA-N 372.458 1.486 0 40 FDAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565551748 RHEWTFVUKWGMAJ-OALUTQOASA-N 354.454 1.844 0 40 FDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)CCc1ccc[nH]1)CC2 1565543908 KXJVLUODWWSUQI-UHFFFAOYSA-N 354.454 1.974 0 40 FDAB O=C(NCc1ccco1)c1ncn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565553052 ILTUYJAMSUJMGP-UHFFFAOYSA-N 372.425 1.444 0 40 FDAB COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250386 ARURWVXZJDISHH-UHFFFAOYSA-N 359.411 1.774 0 40 FDAB Cc1nnc2sc(SCC(=O)N3CCCc4ccccc43)nn2c1=O 4347044 CRRCHDYIJPFVAQ-UHFFFAOYSA-N 373.463 1.926 0 40 FDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC2CCCC2)n1 9038023 RYUMTLNFDNSMLT-UHFFFAOYSA-N 372.429 1.214 0 40 FDAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 9572730 WVJGAFBVFFOQFJ-UHFFFAOYSA-N 360.391 1.778 0 40 FDAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccccc1 9827466 OUWPIAAYWXJDNX-UHFFFAOYSA-N 360.439 1.385 0 40 FDAB CCOCC(=O)N1CCC[C@](Nc2ccccc2)(C(=O)NCCOC)C1 2055751424 VTRCBBIYKKCDLL-LJQANCHMSA-N 363.458 1.259 0 40 FDAB COc1ccc([C@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C2CC2)cc1 40024448 OKALQVXEZXXTAH-VEGGFIAOSA-N 369.421 1.373 0 40 FDAB CCOC(=O)[C@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 40119904 IOJQHTIDHBZTMZ-AWEZNQCLSA-N 370.471 1.839 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)[C@@H]1Cc2cc(Cl)ccc2O1 40108972 USZDFPZBQRNWET-HNNXBMFYSA-N 355.785 1.936 0 40 FDAB Cc1occc(=O)c1OCc1noc(C(=O)NCCc2ccc(O)cc2)n1 32092661 DGTLBFVODVNXRL-UHFFFAOYSA-N 371.349 1.588 0 40 FDAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(CC(=O)N(C)C)CC1 20738076 ZKXAAELBIPOUMA-SFHVURJKSA-N 358.442 1.308 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4ccnc(Cl)c4)CC3)ncnc21 21133623 JVTFQZYINUAOSV-UHFFFAOYSA-N 357.805 1.374 0 40 FDAB O=S(=O)(c1ccc(Cl)c2ccccc12)N1CCN(CCO)CC1 41092080 KTPQBZMXOXXJQG-UHFFFAOYSA-N 354.859 1.792 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3ccsc23)C[C@H](C)O1 29625467 ISOWLCPEOJCDNS-QWRGUYRKSA-N 356.473 1.542 0 40 FDAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1C 2664841 GLRVIMYETHTHAJ-UHFFFAOYSA-N 356.378 1.963 0 40 FDAB Cc1nc(CN2CCN([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)cs1 32889904 ARMGEYSHSDQNRZ-CZUORRHYSA-N 352.504 1.253 0 40 FDAB Cn1c2ccccc2n2c(=O)c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 1332632 PXLAYMIVKCTYNC-UHFFFAOYSA-N 368.780 1.884 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cnccn1 6486420 UXUPMXIIYZZSHO-UHFFFAOYSA-N 362.773 1.384 0 40 FDAB CSCC[C@H]1NC(=S)N(Cc2ccc(CS(C)(=O)=O)cc2)C1=O 55180108 ITXUHOBUNIJEED-CYBMUJFWSA-N 372.537 1.570 0 40 FDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1cccs1 69950448 MVPABRRBJVQVNU-QGZVFWFLSA-N 369.446 1.840 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(C(=O)c3ccco3)CC2)c1 23466406 HDXZWGZDWCCEND-QGZVFWFLSA-N 372.421 1.680 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccco2)cc1 9254741 TWQLBGGUKACUSR-GFCCVEGCSA-N 364.423 1.508 0 40 FDAB CS(=O)(=O)N1CCCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 24921566 NOUVUKZZYPEHOD-UHFFFAOYSA-N 363.842 1.385 0 40 FDAB O=C(c1ccc(-n2cccc2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12543450 HMSMZTSQBGEJIO-GOSISDBHSA-N 373.478 1.422 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 34857682 KKKIXOAAKNSIRJ-OAHLLOKOSA-N 353.488 1.049 0 40 FDAB CN(CC(=O)N[C@@H]1CCC[C@H]1CO)S(=O)(=O)c1ccc(Cl)cc1 107155172 CEFJNHAPOHNSTG-SMDDNHRTSA-N 360.863 1.238 0 40 FDAB CCOC(=O)c1ccc(N2CCN(Cc3occc3C(=O)OC)CC2)nc1 26141302 AUHPGTBRYOILFO-UHFFFAOYSA-N 373.409 1.960 0 40 FDAB CSCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O 1750410 UACLIWBIBXDRJS-ZDUSSCGKSA-N 365.407 1.803 0 40 FDAB biogenic Cn1ccnc1CCNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58051143 CAGJAGWOLCVHBD-UHFFFAOYSA-N 352.402 1.773 0 40 FDAB COc1cc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)ccc1O 58277998 DTAGHMSFTLASKU-HNNXBMFYSA-N 361.442 1.945 0 40 FDAB COC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 58343480 DZDOPQYCXDVWBD-AWEZNQCLSA-N 351.378 1.211 0 40 FDAB O=C1CN(c2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2)CCN1 58357806 AIBMWXZVINRAQT-GOSISDBHSA-N 371.485 1.715 0 40 FDAB C[C@@H]1CCc2c(sc3c2-c2ncnn2-c2nnc(SCC(N)=O)n2-3)C1 2452033 VZMQRZZVODZYEU-SSDOTTSWSA-N 373.467 1.592 0 40 FDAB CC(=O)N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)CC1 12765471 VMZVWHWFUCTQLU-UHFFFAOYSA-N 374.828 1.499 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c2ccccc2O1 28935834 VAYUHQQPZFTCEE-RISCZKNCSA-N 371.359 1.540 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)cc1 45741815 CJQGDEQXYKMYAI-ZDUSSCGKSA-N 350.444 1.782 0 40 FDAB COc1ccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cn1 45716248 JGIHQRGPPCPALK-AWEZNQCLSA-N 373.335 1.785 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12855465 YXQXTGQEYGBKKL-HNNXBMFYSA-N 365.455 1.055 0 40 FDAB CN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12813265 JGAVPHADXHNOAI-ZDUSSCGKSA-N 352.485 1.694 0 40 FDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC[C@H]1CCCO1 3440687 UZTBCGNCQIHINJ-GOSISDBHSA-N 369.417 1.761 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCn2c(=O)n(C)c3ccccc32)n1 48408425 QDVLICFERFAKNU-AWEZNQCLSA-N 369.469 1.996 0 40 FDAB Cc1ccn2c(=O)cc(COC(=O)c3ccc4c(c3)OCC(=O)N4)nc2c1 18962752 GWYMBARFFGPLDW-UHFFFAOYSA-N 365.345 1.691 0 40 FDAB Cc1noc(C)c1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13723360 YYQOMLRVXDRHSW-UHFFFAOYSA-N 354.370 1.186 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 13720485 FSVGOQZDZFLVOT-HNNXBMFYSA-N 353.440 1.116 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCN(c4ccccc4F)CC3)nc2n1 5426584 DOSLCAISQQQBMP-UHFFFAOYSA-N 354.389 1.843 0 40 FDAB COC(=O)CSc1nc2nc(C)c(-c3ccccc3OC)c(N)n2n1 20676306 FPJFPMPOPXXENJ-UHFFFAOYSA-N 359.411 1.956 0 40 FDAB CN(C)CCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 4676861 XYJFKVMLEXATPE-INIZCTEOSA-N 361.829 1.604 0 40 FDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1cccs1 5629192 CYGUHNVYMAQAOA-UHFFFAOYSA-N 359.407 1.818 0 40 FDAB O=C(COC(=O)c1n[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 4864513 RPTOQOJFKMBJOA-UHFFFAOYSA-N 353.334 1.765 0 40 FDAB CN(C)C(=O)[C@@H](OC(=O)c1ccccc1-n1cnnn1)c1ccccc1 6846843 FJCIMZOXGOUXII-INIZCTEOSA-N 351.366 1.649 0 40 FDAB COc1ccc(-c2cc3ncn(CC(=O)OCC(N)=O)c(=O)c3s2)cc1 7142370 MBXLBFGRTPMEKO-UHFFFAOYSA-N 373.390 1.162 0 40 FDAB CCNC(=O)CNC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7535401 WWRSUMFJAUGIAL-UHFFFAOYSA-N 369.447 1.765 0 40 FDAB C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCOCC1 68737675 HVCVIZHRZJNLFF-ZDUSSCGKSA-N 356.422 1.828 0 40 FDAB O=C(COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCNC1=O 9532706 TURNNNFZTROIJL-UHFFFAOYSA-N 374.393 1.365 0 40 FDAB Cn1c(SCc2nc3ccccc3c(=O)n2CC(N)=O)nnc1C1CC1 8129122 HQISXYHXOJIORY-UHFFFAOYSA-N 370.438 1.180 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cc(Cl)ccc1O 8151846 HGSJHYRBQYFPJF-GFCCVEGCSA-N 357.790 1.906 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1c(=O)oc3ccccc31)C2=O 8328454 ZYFFRZYVJNBWGX-UHFFFAOYSA-N 372.381 1.126 0 40 FDAB COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC1CCCCC1 91681190 JGUUPXWKLKUOMO-UHFFFAOYSA-N 354.472 1.985 0 40 FDAB CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN(Cc2ccccc2)C1 91932811 PHHTWIJGNGRNPP-SFHVURJKSA-N 356.470 1.180 0 40 FDAB Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306131984 KUUGXEZCWBUCHC-ZDUSSCGKSA-N 353.386 1.354 0 40 FDAB Cc1noc(CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)n1 95959349 FJSVRAANOPVELH-UHFFFAOYSA-N 359.386 1.794 0 40 FDAB CN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3Cl)c(=O)c21 62007010 UUBRHBPJXLMTSM-UHFFFAOYSA-N 364.814 1.604 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)cc1 409298044 VOQCSMAVAUIYMP-DEXNDLTESA-N 357.362 1.271 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(F)c(F)c1F 548529381 GPNWHBUNKIPLDW-CBAPKCEASA-N 353.318 1.262 0 40 FDAB CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C)C1 30879581 LNOTUQIJLODBCV-KBPBESRZSA-N 350.444 1.811 0 40 FDAB biogenic,in-vitro Nn1c(SCc2cc(=O)n3ccccc3n2)nc2cc(F)ccc2c1=O 71768826 ZYKGSDWEXFPWRW-UHFFFAOYSA-N 369.381 1.550 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1 223838333 SJAYXYNCNVVHTB-UHFFFAOYSA-N 360.391 1.929 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccco2)cc1 225606181 DLFVQVLLQHGVOB-UHFFFAOYSA-N 350.440 1.958 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 75166808 JBLNONYQWHALAT-AWEZNQCLSA-N 369.439 1.827 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(OC)ccc2OC)s1 223161062 CNEZAGBJOFGQJC-UHFFFAOYSA-N 372.428 1.705 0 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CCn1nc(-c2nnc3n2CC[C@H](C(=O)OC)CC3)c2ccccc2c1=O 601044340 OXUSRMZEFAOXPE-GFCCVEGCSA-N 367.409 1.800 0 40 FDAB O=C(NCC[C@H](O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 85436529 YOBCXOSGYAMRHZ-HNNXBMFYSA-N 356.378 1.271 0 40 FDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(O)CC3)cc2NC1=O 257173173 FSBLZHGQKTXYLA-INIZCTEOSA-N 368.455 1.722 0 40 FDAB Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257340172 ZEWUERUWNZQQDE-SFHVURJKSA-N 359.430 1.658 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1ccc2c(c1)CCC2 257205885 BAYUMTZDZCAXEK-HXUWFJFHSA-N 352.438 1.679 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 257222044 DRQSHEIVGVGSEP-KRWDZBQOSA-N 356.474 1.876 0 40 FDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1CNC[C@H]1c1cn(C)cn1 1614995893 NRMSNKALVCVYJX-NXEZZACHSA-N 373.404 1.857 0 40 FDAB CN1CCS(=O)(=O)C[C@H]1CC(=O)NCc1ccc(C2CC2)cc1F 644472265 BMOYUAUEUKHRRP-OAHLLOKOSA-N 354.447 1.438 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@@H]2C 585096893 FDACWBJXRHKAFS-GFCCVEGCSA-N 358.398 1.803 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCOC[C@H]3c3ccnn3C)[nH]2)CC1 685942998 ZNRSHPPVYQIGIJ-INIZCTEOSA-N 358.446 1.166 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 52638554 DFRDEQGFMMQQPS-CYBMUJFWSA-N 370.409 1.670 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](C(=O)O)C1 62133974 VNWNTXDKRYEESP-LBPRGKRZSA-N 355.232 1.814 0 40 FDAB O=C([C@H]1CCCN(c2ncc(Br)cn2)C1)N1CCOCC1 67348881 JVPYORFMPIRPOR-NSHDSACASA-N 355.236 1.314 0 40 FDAB COc1nn(C)cc1C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 96103725 PJWBJVHGYBRYGU-UHFFFAOYSA-N 357.336 1.951 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c(F)c1 1549161688 JPVKAIVSPQWBBF-UHFFFAOYSA-N 354.403 1.451 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12145210 JLJAJPXFQIUUPA-GFCCVEGCSA-N 353.469 1.786 0 40 FDAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NC(=O)c1ccco1 12723389 LATBTLKOISXBND-UHFFFAOYSA-N 356.334 1.520 0 40 FDAB C[C@H](C(=O)NCCCN(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13647287 MGKGOXRNVCVMFV-GFCCVEGCSA-N 361.895 1.562 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 16206468 LFCKMOARDGLFOI-LBPRGKRZSA-N 355.412 1.580 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1OC 16609152 PDESSJWRBSXHAJ-UHFFFAOYSA-N 370.471 1.583 0 40 FDAB Cn1cc(-c2csc(NC(=O)C[C@@H]3SC4=NCCN4C3=O)n2)cn1 19661161 YHERNZNOURRXMB-JTQLQIEISA-N 362.440 1.186 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCN(Cc4cccnc4)C3)nc2n(C)c1=O 19743055 MVUJKIYCZIRFHB-HNNXBMFYSA-N 365.437 1.407 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CCNS(=O)(=O)N(C)C 19749128 LXGLGGYCGGWWIH-AWEZNQCLSA-N 372.491 1.001 0 40 FDAB CC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)cc1 101116672 GWKWOCQMPAIOIZ-GJZGRUSLSA-N 350.440 1.825 0 40 FDAB COc1cccc2ncnc(N3CCN([C@H]4CCNC(=O)CC4)CC3)c12 514840400 AGXCWAIFTZNTRL-CQSZACIVSA-N 355.442 1.429 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 225404839 KQEHVWWCCMITFB-GFCCVEGCSA-N 357.414 1.703 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888853454 CPZZETVPPRYZNI-TXEJJXNPSA-N 356.382 1.105 0 40 FDAB O=C(NC[C@H]1CCCO1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888870139 FFOQJENAYNPXHP-GFCCVEGCSA-N 365.409 1.209 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2ccc(C)cc2)c(=O)c3=O)cc1 8849260 IWAUANALMVSTBT-UHFFFAOYSA-N 364.405 1.922 0 40 FDAB COCCNC(=O)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8893063 JFZSOOMYGABNNS-OAHLLOKOSA-N 353.488 1.544 0 40 FDAB COc1ccc(CCNC(=O)CSc2ccc(NC(C)=O)nn2)cc1 11738758 ORXCRHZJAYYBBV-UHFFFAOYSA-N 360.439 1.895 0 40 FDAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cccnc1C(N)=O)C2 2055751386 QOGQNOABABMUDQ-CQSZACIVSA-N 369.425 1.080 0 40 FDAB O=C(N1CCC1)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2)CC1 2055772912 VENWUQOAFPPROK-UHFFFAOYSA-N 374.466 1.295 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2cccc(F)c2)CC1 2055773087 UMDMMESQMDGEEA-UHFFFAOYSA-N 360.433 1.776 0 40 FDAB CCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055739309 QUIVPYPMYFQLEU-UHFFFAOYSA-N 363.433 1.914 0 40 FDAB CSc1ncccc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003650 VVOXYOYUIKISBM-UHFFFAOYSA-N 369.512 1.738 0 40 FDAB CCc1cc(=O)n(CC(=O)N(C)c2cccc(C)c2)c(N2CCOCC2)n1 49411165 FCGPTVLRWAPRPH-UHFFFAOYSA-N 370.453 1.614 0 40 FDAB CN1CCN(C(=O)Cn2cc(C=O)c3cc(Br)ccc32)CC1 22277261 WICYRRQYTXENFZ-UHFFFAOYSA-N 364.243 1.990 0 40 FDAB C[C@H](Sc1nncs1)C(=O)NCc1ccnc(N2CCOCC2)c1 40153886 GJCPHVNXWIRVPX-NSHDSACASA-N 365.484 1.567 0 40 FDAB C[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N(C)c1ccccc1 40108038 GBVZQVYQMAWIAD-ZBFHGGJFSA-N 353.488 1.442 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1F)NCCN1CCc2ccccc2C1 31339589 HZAYYFAMCMEQJW-UHFFFAOYSA-N 373.403 1.869 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1c[nH]c2cc(F)ccc12 50766460 XPBXKNRYTJQWOK-UHFFFAOYSA-N 358.373 1.284 0 40 FDAB CCNc1nc(NCOC)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 20744992 CAVXDCDGZDVZLT-UHFFFAOYSA-N 369.385 1.657 0 40 FDAB CN(C)CCNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101709544 MAYJFWOWLAZYBE-UHFFFAOYSA-N 362.861 1.236 0 40 FDAB CCn1c(SC[C@@H](O)COc2ccccc2)nnc1N1CCOCC1 32751096 RTPJQXJWKSFSMV-AWEZNQCLSA-N 364.471 1.667 0 40 FDAB O=C(Cc1cn2ccsc2n1)Nc1cccc(CN2C(=O)CNC2=O)c1 32828139 UKONOJPGLHVLKB-UHFFFAOYSA-N 369.406 1.629 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1nncs1 79495655 JJRVOGSOCUUVHU-UHFFFAOYSA-N 371.422 1.992 0 40 FDAB Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 4938771 APTOFABGNBAWOX-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 6101471 RHFVJSHDMNQTMO-UHFFFAOYSA-N 358.181 1.825 0 40 FDAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)s1 6679418 GDTKYDJIZSHQEF-UHFFFAOYSA-N 360.486 1.973 0 40 FDAB COC(=O)c1ccccc1N(C)C(=O)CN1CCN(Cc2ccco2)CC1 22843698 PXCGNJHGQPWLOQ-UHFFFAOYSA-N 371.437 1.847 0 40 FDAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(=O)NC1=O 100498062 AEMKVHDKSZHGIU-UONOGXRCSA-N 362.382 1.286 0 40 FDAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCOC(C)(C)C3)n2)c1 61719882 UBWLMXMLTLAXSV-OAHLLOKOSA-N 371.437 1.993 0 40 FDAB C[C@H]1CN(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 25099956 DRSFGUKYQBMZOO-VBQJREDUSA-N 366.483 1.213 0 40 FDAB Cc1ccc(Oc2ccc(OCC(=O)NN3CC(=O)NC3=O)cc2)cc1 25613136 WZBDCFVRFYONCP-UHFFFAOYSA-N 355.350 1.749 0 40 FDAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(c2cnccn2)CC1 25343190 IXFKKZIRKZKZCG-UHFFFAOYSA-N 364.409 1.808 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)NC[C@@H]1COc2ccccc2O1 25984442 JSESJHRFDKOSDJ-CYBMUJFWSA-N 354.362 1.368 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCCN1 44492919 QTMFCUYLLDNEKI-LLVKDONJSA-N 363.277 1.878 0 40 FDAB C[C@H](NC(=O)CN1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCO2 26934295 SMHGYBJNXBTNCM-AWEZNQCLSA-N 362.426 1.474 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)c1ccco1 57835969 AGVDFSICZHROCB-CQSZACIVSA-N 356.378 1.972 0 40 FDAB CCCCn1c(N)c(N2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O 58124245 UVRBXOBIYUKKAF-UHFFFAOYSA-N 357.458 1.241 0 40 FDAB Cn1nc(CC(=O)N2CCN(c3nccs3)CC2)c2ccccc2c1=O 10270160 IJPOWDRSIQFCAM-UHFFFAOYSA-N 369.450 1.281 0 40 FDAB O=C(NCCn1nc2ccccn2c1=O)c1ccn(-c2cccc(F)c2)n1 58223222 QUJOISARBQHXHQ-UHFFFAOYSA-N 366.356 1.251 0 40 FDAB C[C@H](NC(=O)CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 22199537 YUSOOHWWFNZKMV-SFHVURJKSA-N 372.513 1.494 0 40 FDAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-n2cnnn2)cc1 3345219 QFBRCSMZZPJPGV-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 27976210 VSUJWVXPTHBFBI-ZDUSSCGKSA-N 372.473 1.855 0 40 FDAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1CC 36389573 NSFOSLPUXFSGRG-STQMWFEESA-N 367.446 1.170 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2ccsc2c1=O 12876675 NTBOFGRJUDPVFB-UHFFFAOYSA-N 371.418 1.888 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3406716 LIZUBUCEMJZDLL-DUXPYHPUSA-N 374.374 1.771 0 40 FDAB COc1ccc(CC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12997284 HGXWSWTWEHMHIZ-UHFFFAOYSA-N 355.350 1.589 0 40 FDAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2nc[nH]c(=O)c12 8662423 NHQRAKRMKGWELY-UHFFFAOYSA-N 355.423 1.650 0 40 FDAB Cn1c(COc2ccc(Cl)c(Cl)c2)nc2c1c(=O)[nH]c(=O)n2C 63414964 HQICXUPEUZYNPO-UHFFFAOYSA-N 355.181 1.846 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 4352512 FGHKLDLTUGNPQT-ONGXEEELSA-N 367.155 1.256 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1Cl 4937998 MFUREXPEZJXEQE-UHFFFAOYSA-N 370.862 1.509 0 40 FDAB COc1cccc(CNC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)c1 9060238 WSVCFNFSFGUVNT-AWEZNQCLSA-N 366.425 1.894 0 40 FDAB COc1ccc(S(=O)(=O)NCCCOCC(C)C)cc1NC(C)=O 15364526 WTLFRSAIJVWQQG-UHFFFAOYSA-N 358.460 1.995 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)N[C@@H]1CC 7814390 ANGOBRZQWOONRJ-JGVFFNPUSA-N 365.213 1.632 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc(F)c1 7940449 QPRBFYDMHAFMPQ-UHFFFAOYSA-N 353.353 1.836 0 40 FDAB COc1ccccc1[C@](N)(C(=O)NC[C@@H](O)c1ccco1)C(F)(F)F 96007103 KJDNZRWSJNRARU-ABAIWWIYSA-N 358.316 1.854 0 40 FDAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(N)(=O)=O 29650985 PLDISZWOHYMBES-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 96999642 OHNDYPJZDQJACZ-DZGCQCFKSA-N 361.442 1.989 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)no1 72785502 RJZQTDMKUMVMRQ-UHFFFAOYSA-N 363.439 1.345 0 40 FDAB CCN(CC)[C@@H]1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 74176566 KEBHHMDKBLEGHE-OAHLLOKOSA-N 353.488 1.507 0 40 FDAB Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 95958486 MDHMJAZDGMAAND-UHFFFAOYSA-N 361.383 1.770 0 40 FDAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccccc2)CN3)cc1 20567582 WKHKSMFFALXAIX-UHFFFAOYSA-N 364.405 1.920 0 40 FDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCc1nnc2ccccn12 524733493 NVNMBPBURYWPKS-UHFFFAOYSA-N 354.418 1.373 0 40 FDAB COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1 72345421 RTMZQSFGYBWRGI-INIZCTEOSA-N 354.410 1.799 0 40 FDAB O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccc(Cl)cc1 72321845 HUGWQTYWLRLIQJ-QBPKDAKJSA-N 367.854 1.896 0 40 FDAB biogenic,in-vitro O=C(N=c1[nH]cc[nH]1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 72402678 QMSZNZDGDIYHSO-UHFFFAOYSA-N 351.410 1.987 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 36360769 MRNUBUSWZRVOTD-LBPRGKRZSA-N 372.410 1.523 0 40 FDAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218151120 LDAHIZNWKILVRD-OFQRWUPVSA-N 371.480 1.625 0 40 FDAB COCCNC(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O 72337024 OGLPNWMNOXBCPK-UHFFFAOYSA-N 374.422 1.698 0 40 FDAB COc1ccc(C(=O)N2CCN(Cn3nc(C)n(C)c3=S)CC2)cc1 40083012 VZTOTJUMMNVFGE-UHFFFAOYSA-N 361.471 1.684 0 40 FDAB O=C(c1ccccc1)[C@H](C(=O)N1CCOCC1)n1cc(Cl)ccc1=O 199407885 URNGLDFGZXOKEQ-MRXNPFEDSA-N 360.797 1.785 0 40 FDAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(F)c(F)c1 224175116 VMUBBXBWUUJCRQ-UHFFFAOYSA-N 370.381 1.070 0 40 FDAB CCOC(=O)[C@@H](C)Oc1cc(-n2c(=O)cnn(C)c2=O)c(F)cc1Cl 85389273 LMTKAJVIAGNOBK-MRVPVSSYSA-N 371.752 1.054 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc(CCc2ccccc2)n[nH]1 95473140 PSHYUXJEFJQDOF-UHFFFAOYSA-N 374.404 1.939 0 40 FDAB N[C@H]1CCc2ncc(NC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)cc2C1 333294148 JQMYSBVNWIQALB-YJBOKZPZSA-N 365.437 1.603 0 40 FDAB CC(C)NC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C)n2c1 96156610 PFLSYIMKIPGLFI-INIZCTEOSA-N 356.474 1.566 0 40 FDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nnn(C)c21 96060703 JMOMHQGPCKUQHN-AWEZNQCLSA-N 361.421 1.158 0 40 FDAB CC1CCN(C(=O)CN2CCN(Cc3nc4ccccc4n3C)CC2)CC1 96835614 DNVFJCVVVGSITO-UHFFFAOYSA-N 369.513 1.949 0 40 FDAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccc(C(N)=O)nn2)C1 583616696 DHLLEAXJKAEDPR-VIFPVBQESA-N 354.336 1.712 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)c1 96215049 IOCLQYMQYQHCNS-INIZCTEOSA-N 372.512 1.574 0 40 FDAB O=C(C1CCC1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96263726 FHPROLIWPOMHBZ-IAGOWNOFSA-N 363.483 1.634 0 40 FDAB O=S(=O)(C1CC1)N1Cc2cncn2[C@H](COc2ncccc2F)C1 247298814 DMAPQSKHBRRIBH-LBPRGKRZSA-N 352.391 1.345 0 40 FDAB O=C(N[C@]1(CO)COc2ccccc2C1)c1cn(Cc2ccccc2)nn1 529818809 DEGCWWQGFHLWSU-HXUWFJFHSA-N 364.405 1.422 0 40 FDAB O=S(=O)(N1CCOCC1)N1CC[C@H](Cc2cccc3cccnc23)C1 257247253 IYDTUMIWGKGYQQ-OAHLLOKOSA-N 361.467 1.676 0 40 FDAB O=C(c1sccc1-n1ccnn1)N1CCC[C@@H](N2CCOCC2)CC1 614431563 FLLMSOQAWLVNEM-CQSZACIVSA-N 361.471 1.656 0 40 FDAB CCN(C)C(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c1 667093828 DSFPGIGLBZGFOJ-WFASDCNBSA-N 367.471 1.866 0 40 FDAB CCCn1ncnc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)cc1 65533969 MNLBGACFYBZAMM-HNNXBMFYSA-N 356.474 1.931 0 40 FDAB Cn1[nH]c(C2CCN(C(=O)CCc3nc(-c4ccco4)no3)CC2)nc1=N 684852028 GSLFYMCDLZHOQU-UHFFFAOYSA-N 371.401 1.209 0 40 FDAB COCCN1C[C@@]2(COCCN(Cc3cc(F)ccc3F)C2)CC1=O 585105003 XQZXLDRHNWQDEX-GOSISDBHSA-N 354.397 1.662 0 40 FDAB Cn1cc2c(n1)CCC[C@@H]2NCCCN1CCN(c2ncccn2)CC1 684549967 GAZRUKJFTDCGLG-KRWDZBQOSA-N 355.490 1.389 0 40 FDAB O=S(=O)(CCc1ccccc1)N1CCC(Oc2nncs2)CC1 828388689 YJHINZYMRMGYLC-UHFFFAOYSA-N 353.469 1.954 0 40 FDAB O=C(O)COc1ccc(NC(=O)[C@@H]2CCCS2(=O)=O)c2ccccc12 514739852 YLNZPZXWOCOGRT-HNNXBMFYSA-N 363.391 1.819 0 40 FDAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5440839 SEUHZNVIXAAZSO-UONOGXRCSA-N 353.426 1.842 0 40 FDAB biogenic,in-vitro C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422763 BGIBCZTVUJRNFO-JTQLQIEISA-N 355.419 1.890 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 14607175 PEEQENIUBWLOPK-CYBMUJFWSA-N 371.397 1.118 0 40 FDAB O=C(O)/C=C/C(=O)NCCCCCCCCCCNC(=O)/C=C/C(=O)O 16990285 YXZXWVNQJSGPEN-WGDLNXRISA-N 368.430 1.621 0 40 FDAB Cc1nc2c(c(N3CCn4cnnc4C3)n1)CCN(Cc1ccccc1)C2 19286240 UAOUBTPMPGSUQO-UHFFFAOYSA-N 361.453 1.955 0 40 FDAB O=C1CN(C(=O)CN2CCCN(c3ccccn3)CC2)c2ccccc2N1 19658125 RVAQHPZNOFSRFA-UHFFFAOYSA-N 365.437 1.579 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1F 245171827 XWZJTEHNAQZKEG-XFBWCDHKSA-N 359.419 1.839 0 40 FDAB O=S(=O)(C1CC1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888866794 RMSXNTLSQHYOMI-UHFFFAOYSA-N 360.439 1.463 0 40 FDAB Cc1cc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)nc(C)n1 1888930563 SBWQCJHSFYWVFN-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCn3nc4c(c3C2)CCC4)cc1 245174502 YPTPBCRHUOWZET-UHFFFAOYSA-N 374.466 1.278 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)c1csnn1)C2 1565553424 YLAOICNDEUJSDG-DYVFJYSZSA-N 357.439 1.444 0 40 FDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cnn2ccccc12 1565554299 NKVSYNSASWYKKP-ZDUSSCGKSA-N 362.397 1.388 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC1)CC(C(=O)NC1CC1)=NO2 1565544275 CUZSOSQPXWUCIY-UHFFFAOYSA-N 358.398 1.120 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2Cc3c(C(=O)NC4CCCC4)n[nH]c3CO2)o1 1565548391 YOFSFROWZWQPPQ-CYBMUJFWSA-N 372.425 1.855 0 40 FDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)C1 4941040 WZRUSHDUTLUWEY-CHWSQXEVSA-N 368.455 1.453 0 40 FDAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccnc1 8798109 ULTCOEFNPRBOLY-UHFFFAOYSA-N 362.436 1.345 0 40 FDAB O=C(NCCCn1ccnc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 9002091 MFAIVQQTBXKQCS-UHFFFAOYSA-N 369.425 1.545 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1S(C)(=O)=O 10255999 OPANUAPLKQIERX-HNNXBMFYSA-N 358.419 1.408 0 40 FDAB Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c1cnn2-c1ccccc1 12227985 YVSZQBWKYBQMDQ-HNNXBMFYSA-N 367.409 1.186 0 40 FDAB Cc1ccccc1OCC(=O)NCc1nnnn1-c1ccc(F)c(F)c1 17136056 ITDWIVCLNNVOHW-UHFFFAOYSA-N 359.336 1.944 0 40 FDAB O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134343 FCBMHAMIBHBFHP-UHFFFAOYSA-N 372.816 1.867 0 40 FDAB O=S1(=O)N=C(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)c2ccccc21 2086864871 OQJDYDHJTXBNGJ-STQMWFEESA-N 372.425 1.738 0 40 FDAB CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19523569 VCFMLOZEDKKRPH-PBHICJAKSA-N 368.485 1.881 0 40 FDAB COc1ccc(C2(C(=O)NCCCN3CCOCC3)CCOCC2)cc1 20248177 SOYKWMDNFXXKJB-UHFFFAOYSA-N 362.470 1.582 0 40 FDAB O=c1c(NCc2ccncc2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101697496 KQHCIIUUXZGXAX-UHFFFAOYSA-N 362.433 1.612 0 40 FDAB CC(C)n1[nH]cc/c1=N\C(=O)CSc1nnnn1Cc1cccs1 101761448 NPURYOCVWHPORZ-FOWTUZBSSA-N 363.472 1.713 0 40 FDAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@@H]1CCS(=O)(=O)C1 32768587 KJLDEIBBEBIKSQ-MRVPVSSYSA-N 354.409 1.441 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 102260840 GCQONDJWRZZNSO-MCIONIFRSA-N 358.394 1.118 0 40 FDAB NC(=O)N1CCCN(S(=O)(=O)c2ccccc2Br)CC1 60363727 MAAFAGFYXWINLR-UHFFFAOYSA-N 362.249 1.224 0 40 FDAB COc1ccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)cc1OC 2640122 DRGUEVSGZDJCGE-UHFFFAOYSA-N 357.362 1.990 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 2644104 QINUAVQJLOHHPZ-UHFFFAOYSA-N 374.466 1.298 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 4264448 MTFGXXOIFDMLDH-GBIKHYSHSA-N 350.268 1.610 0 40 FDAB CC(=O)N[C@H]1[C@@H](Oc2ccc(Cl)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4275850 ZWTDRTNLJKBYAO-SUJAAXHWSA-N 371.817 1.461 0 40 FDAB C[C@@H](OCc1ccccc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 41408076 JBZFZUPDCHZJJO-APWZRJJASA-N 364.511 1.916 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1 8325088 ZWCCVGOPJOUMRP-UHFFFAOYSA-N 354.428 1.154 0 40 FDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12321193 KKAGSRRWYFQQJW-UHFFFAOYSA-N 354.457 1.180 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCC(=O)Nc2ccccc2F)CC1 22929554 DIUZDHGSEVJQSG-AWEZNQCLSA-N 362.449 1.439 0 40 FDAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CC(=O)N(C)C)CC1 23249250 FUQIVPAZAUYRDY-ZDUSSCGKSA-N 352.866 1.373 0 40 FDAB CC(C)CCC[C@H](C)NC(=O)Cn1nc(N2CCOCC2)ccc1=O 61721516 GESUPQHTSOGUMM-HNNXBMFYSA-N 350.463 1.411 0 40 FDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3190349 RMXLGUZSFUHRAL-ZDUSSCGKSA-N 356.444 1.001 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CC1 24599328 ICNIBFWOTQXHIQ-MRXNPFEDSA-N 371.462 1.943 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 25280628 NLDNDQJJDDSTLK-UHFFFAOYSA-N 368.437 1.232 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)on1 25436140 RTMYCAJWKHDJCK-UHFFFAOYSA-N 372.425 1.511 0 40 FDAB COc1ccccc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21 108528572 PRXGLPPAGJTCCK-NLWGTHIKSA-N 374.481 1.827 0 40 FDAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CCN1CC(F)(F)F 108145751 HVGHSXCNHUHBOM-VXGBXAGGSA-N 372.391 1.681 0 40 FDAB CSCC[C@@H]1NC(=S)N(Cc2ccc(CS(C)(=O)=O)cc2)C1=O 55180109 ITXUHOBUNIJEED-ZDUSSCGKSA-N 372.537 1.570 0 40 FDAB O=C1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1cccnc1 108534521 PQJWBFGTMTWXMJ-KRWDZBQOSA-N 357.454 1.849 0 40 FDAB COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)c(OC)c1 3317736 WQJSNLQTHHMSGY-UHFFFAOYSA-N 362.338 1.209 0 40 FDAB CC(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 24229844 WGMCQBFQJQOGPY-UHFFFAOYSA-N 365.397 1.577 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C 306141968 WLKFUBUFJWZUOY-HNNXBMFYSA-N 362.474 1.594 0 40 FDAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCCCC1 36358761 YZQBBCGKNPWMOX-UHFFFAOYSA-N 351.428 1.178 0 40 FDAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccccn1 36594794 POTWJGAVEPAZLQ-QGZVFWFLSA-N 366.421 1.846 0 40 FDAB C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3cnn(C)c3)cn2)CCO1 45877227 WGJSVWVUTLQNBO-CQSZACIVSA-N 358.446 1.382 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 29362139 WJMMMZXCPMTQCY-LPHOPBHVSA-N 371.481 1.535 0 40 FDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)NC(C)C 45925408 KLRAPCQBQKAGGC-OAHLLOKOSA-N 365.499 1.569 0 40 FDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)ccc1Cl 3445201 AODLZELTIMUKSO-UHFFFAOYSA-N 360.819 1.203 0 40 FDAB C[C@H](Sc1nnnn1CCc1cccs1)C(=O)N1CCNC1=O 8726731 GUNYABYIECJHIQ-VIFPVBQESA-N 352.445 1.010 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 13845271 HVBZXBHWFWXCOR-GFCCVEGCSA-N 356.444 1.244 0 40 FDAB COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4386476 GIFWVFWWAYEHPS-UHFFFAOYSA-N 373.800 1.646 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)cc1OC 14128987 QPFVXNWWFJJOFG-MLCYQJTMSA-N 361.398 1.138 0 40 FDAB COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 6608407 BTGXNBOYRMLBAK-LBPRGKRZSA-N 356.378 1.907 0 40 FDAB COc1c(Cl)cc(Cl)cc1CNCCNC(=O)c1nonc1N 4998067 HAPXZJVGRIYXPQ-UHFFFAOYSA-N 360.201 1.487 0 40 FDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc(Cl)c1 7883123 GSYHVBQDLZAPAH-LBPRGKRZSA-N 353.831 1.999 0 40 FDAB CCS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCO2 408705247 AKPONWBMKZIBIK-UHFFFAOYSA-N 354.428 1.630 0 40 FDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 19680275 OBCXBLKPQAXWKG-SNVBAGLBSA-N 358.268 1.801 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 8536498 NCDNXNAVAGPGNP-YWZLYKJASA-N 373.453 1.991 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)C1 9503935 AUQFJRANTATMRN-DYVFJYSZSA-N 368.437 1.889 0 40 FDAB COC(=O)c1ccccc1CS(=O)(=O)NCCc1csc(C)n1 95432849 SMTZENWHZCEGBZ-UHFFFAOYSA-N 354.453 1.900 0 40 FDAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)O)c2)cc1 98075706 WZXURPSCLVIOCA-CQSZACIVSA-N 362.451 1.931 0 40 FDAB O=C1CNC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 74113300 PHMMIHSBYUPSTN-UHFFFAOYSA-N 356.348 1.379 0 40 FDAB CC1CCC2(CC1)OC[C@@H](CNC(=O)CNC(=O)c1cccs1)O2 95991324 OCXXLQZALOZTGL-UIORMTCPSA-N 352.456 1.916 0 40 FDAB CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 89984947 OULLXLKXHLQRLO-GDBMZVCRSA-N 366.531 1.979 0 40 FDAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)[nH]1 23456397 DFGMCGUZYHPURW-UHFFFAOYSA-N 363.439 1.461 0 40 FDAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)O 409191787 NIQHKNLATNIKGN-BJMVGYQFSA-N 354.746 1.725 0 40 FDAB CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 35898007 UHCVYUMZZUAAFU-RHYQMDGZSA-N 352.412 1.616 0 40 FDAB 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1.796 0 40 FDAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3C(=O)CCCC[C@@H]32)cc1 248031285 QMXFQRZVLDYMQF-KKUMJFAQSA-N 351.424 1.971 0 40 FDAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)c1 257277905 NZZBVEWYUCLQTL-LBPRGKRZSA-N 351.432 1.072 0 40 FDAB Cc1ccsc1C(=O)N1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 253598260 FBONEYPGHWZXES-GFCCVEGCSA-N 368.484 1.389 0 40 FDAB CN(c1ccncn1)C1CC2(CCN(S(=O)(=O)c3cccnc3)C2)C1 257301361 RYDKZPIIQGSWSH-UHFFFAOYSA-N 359.455 1.551 0 40 FDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 253601321 PCJWOBXQWNUVIN-OAHLLOKOSA-N 369.425 1.665 0 40 FDAB O=C(O)COc1cccc(C=c2sc3nc4ccccc4n3c2=O)c1 254480273 KAOIVZGTRPILIH-UHFFFAOYSA-N 352.371 1.920 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cncnc2C)C1 257200266 ACPZQMYIBYXJDL-LJQANCHMSA-N 355.442 1.279 0 40 FDAB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1CC(F)(F)F 42663987 WTNXZJGTRNDOPI-CYBMUJFWSA-N 352.378 1.974 0 40 FDAB CN1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C(=O)O)CC3(C)C)c2)CC1 663106139 OYYOAGBFAQUFQZ-FQEVSTJZSA-N 373.453 1.443 0 40 FDAB O=C(O)c1cccc(CNC(=O)N2CCN(Cc3cccnc3)CC2)c1 635523838 BXYNQMGJVXUCSV-UHFFFAOYSA-N 354.410 1.807 0 40 FDAB COCc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 643771388 QPDYXTINRQKLIJ-OAGGEKHMSA-N 354.472 1.099 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(OC)cc(Cl)c2F)C1 644031641 FJJNYNFBRKYBPS-INIZCTEOSA-N 358.797 1.591 0 40 FDAB COCc1cc(C(=O)NCc2cc(Br)cnc2OC)no1 585124073 KCVWAZAIWDYMII-UHFFFAOYSA-N 356.176 1.917 0 40 FDAB Cc1ccn(CCC(=O)N2CCOC[C@](O)(COc3ccccc3)C2)n1 585271390 GMHBEEYMUNGKCK-IBGZPJMESA-N 359.426 1.251 0 40 FDAB Oc1nnc(O)n1-c1ccc(OCc2ncn(-c3ccccc3)n2)cc1 685285387 YCWARBXFXUQAQT-UHFFFAOYSA-N 350.338 1.838 0 40 FDAB CN(CC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(=O)c1ccsc1 69711684 ITCTZSPDPJAUBC-OAHLLOKOSA-N 365.499 1.391 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155378 HLRGUYULCSLIID-HXUWFJFHSA-N 371.437 1.033 0 40 FDAB CSc1nnc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1C 5001464 GXKGILMXTCSLCW-JTQLQIEISA-N 352.489 1.812 0 40 FDAB 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1.253 0 40 FDAB CCOc1ccc(N2C[C@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 4303435 MYLGNNRHFONKTR-CYBMUJFWSA-N 361.423 1.564 0 40 FDAB O=C(NCCCSc1nnnn1-c1ccccc1)Nc1ncccn1 10220859 DYUKAAWOMKDEKL-UHFFFAOYSA-N 356.415 1.756 0 40 FDAB COc1cccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)c1 2055731784 VPPZQUXOFDPMGY-CYBMUJFWSA-N 365.455 1.380 0 40 FDAB O=c1c2cc(N3CCOCC3)ccc2nc(S)n1CCN1CCCC1 20644533 ABZJJNYCDSEYKI-UHFFFAOYSA-N 360.483 1.618 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1C 22664439 LPTOOXHACPJOFB-INIZCTEOSA-N 360.458 1.040 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ccncc3)C2)CC1 575611954 HJMBIXQOXYGZPT-INIZCTEOSA-N 367.471 1.123 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2sccc2C)cc1 75170229 YQMCIHQHNYEAMW-CYBMUJFWSA-N 355.437 1.855 0 40 FDAB CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 40108389 QBNJYRJWKAFZOA-HNNXBMFYSA-N 353.426 1.456 0 40 FDAB CCOCCCC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40129008 IOPBATJAUCHZEG-UHFFFAOYSA-N 374.441 1.337 0 40 FDAB 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O=C(C[C@H]1N=C(N2CCOCC2)N=C1O)Nc1ccc(F)c(Cl)c1 13729800 NTECPYRDLJVVHA-GFCCVEGCSA-N 354.769 1.835 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 13948616 GFYZSHQBFBRORZ-ZDUSSCGKSA-N 360.501 1.466 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 4495894 NHUIUSQTDZKKPA-AWEZNQCLSA-N 367.405 1.634 0 40 FDAB COc1cccc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1 14108711 XDDHAXOKHXIBPP-UHFFFAOYSA-N 354.284 1.858 0 40 FDAB Cc1nc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C(N)=O)c(C)c1C 14119197 OJJDKZQPRGMWHH-UWVGGRQHSA-N 351.472 1.834 0 40 FDAB Cc1ccc(C(=O)NCCCOc2ccccc2F)cc1S(N)(=O)=O 8881868 BYMVXPPCNHYEJE-UHFFFAOYSA-N 366.414 1.980 0 40 FDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NC[C@H]1COc2ccccc2O1 6879136 BWQBNAWLACKBSL-AWEZNQCLSA-N 369.356 1.435 0 40 FDAB CC[C@@](C)(NS(=O)(=O)c1cc(N2CCCC2=O)ccc1C)C(=O)O 15083875 LWIITQRWSCAVBU-MRXNPFEDSA-N 354.428 1.653 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC2=NCCS2)ccc1OC 6944918 QCWLMMJFGPCZNU-UHFFFAOYSA-N 371.484 1.558 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2ccc(F)cc2)CC1 25361379 NGLXZSYTFGTKFT-MRXNPFEDSA-N 369.462 1.066 0 40 FDAB CN(C(=O)CSc1nnc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 5981387 AUOYIYSHDIUVRL-LBPRGKRZSA-N 367.452 1.474 0 40 FDAB Cc1cccc(-n2c(O)nc3nc(NCCN(C)C)ncc3c2=O)c1C 67263650 SRECCYCPZMXWFF-UHFFFAOYSA-N 354.414 1.472 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707811 FGFQYVGUFAVHBM-CQSZACIVSA-N 358.442 1.118 0 40 FDAB COC(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 7987737 CXMWZGFHFHHQSI-UHFFFAOYSA-N 360.322 1.249 0 40 FDAB COc1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1OC 8112011 JCAMQJPMHCOZIU-UHFFFAOYSA-N 353.378 1.730 0 40 FDAB O=C(Nc1cccnc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9367710 NSAHZYYBLZGHNC-UHFFFAOYSA-N 360.439 1.761 0 40 FDAB COc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1F 72331321 FVCBAOBMNPYQDM-UHFFFAOYSA-N 370.380 1.888 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cccc(CO)c3)ccc21 84752602 YZPQJJZRWKHAQC-UHFFFAOYSA-N 368.389 1.883 0 40 FDAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 95473740 IAPGJRFCOWHVIW-MSOLQXFVSA-N 352.390 1.886 0 40 FDAB CCOC(=O)c1cn(C)nc1NS(=O)(=O)c1ccc(C(C)=O)cc1 95466278 NEMHEILQNRRRAZ-UHFFFAOYSA-N 351.384 1.600 0 40 FDAB C[C@H](C(=O)Nc1nccs1)N1CCC(N2CCn3ccnc3C2)CC1 89598247 DMRAMNSXJGYQHI-CYBMUJFWSA-N 360.487 1.647 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccs2)c1 23239043 MJXRSEYUAWNEBB-UHFFFAOYSA-N 366.464 1.936 0 40 FDAB CNS(=O)(=O)c1ccc(N2CCN(Cc3cccs3)CC2)nc1 301171657 KGUPDDLIOBIRHU-UHFFFAOYSA-N 352.485 1.373 0 40 FDAB COc1ccccc1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 331473653 SAFQQTVZIHJZMJ-HNNXBMFYSA-N 361.442 1.205 0 40 FDAB COc1ccc(CN2Cc3ccnn3[C@@H](C(=O)N3CC(F)(F)C3)C2)cc1 306140738 VCQSUFDFBWXBMJ-MRXNPFEDSA-N 362.380 1.926 0 40 FDAB COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@@]2(CCCN(C)C2=O)C1 306126624 FAMCABTYBKIZAM-OXJNMPFZSA-N 369.469 1.662 0 40 FDAB Cc1ccc(-c2nnn(CCOc3ccc(S(N)(=O)=O)cc3)n2)cc1 31648629 NHQREPADBXBEBI-UHFFFAOYSA-N 359.411 1.375 0 40 FDAB O=C(c1c(F)cccc1F)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70997499 RZGPSMFFCLYGEN-UHFFFAOYSA-N 370.363 1.903 0 40 FDAB CC(=O)c1nnc(-c2ccc(C)cc2)n1Nc1ccc(S(N)(=O)=O)cc1 36649182 CVGWICTWYYLNOA-UHFFFAOYSA-N 371.422 1.979 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 32097213 DJLNTRRYRIRXJW-ZDUSSCGKSA-N 352.398 1.988 0 40 FDAB CCc1nn2c(nnc3c(=O)n(-n4cnnc4)ccc32)c1-c1ccccc1 40388376 VAYOZANQKXHUBH-UHFFFAOYSA-N 358.365 1.572 0 40 FDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NCCCn1ccnc1 223412937 UYZIMRXOYZSYDK-MRXNPFEDSA-N 356.426 1.589 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1C(=O)O 85344819 CVFZHDGINTUJAD-OAHLLOKOSA-N 363.391 1.667 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CO2)C1 225388134 ZAFFMMQBQZGBNC-HZPDHXFCSA-N 355.394 1.606 0 40 FDAB COC(=O)[C@@H](NC(=O)/C(C)=C(/C)C(=O)O)c1ccc(OC)c(OC)c1 199401702 NIJPRMNOPZCKLO-CMUBDUJZSA-N 351.355 1.455 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)cn1 96160528 CUPNNIFVPPNIFD-SJLPKXTDSA-N 357.414 1.072 0 40 FDAB O=C(N1CCOCC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96215859 AXGANNOOWOWRES-KRWDZBQOSA-N 350.488 1.883 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(C(=O)C1CCOCC1)C2 96060795 XDKHBULXJQFJHC-HNNXBMFYSA-N 371.441 1.279 0 40 FDAB O=C(c1ccccn1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96209682 CMXHHRHSSGMJNG-AUUYWEPGSA-N 352.394 1.134 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040464 JKROJPUXOTYSPG-WBVHZDCISA-N 352.456 1.824 0 40 FDAB CN(C)CCN(CC(=O)O)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 583650670 XGHGGYQZIRUPIB-INIZCTEOSA-N 350.415 1.333 0 40 FDAB COC[C@H]1CC2(CCN(Cc3nccn3C)CC2)CN1c1ncccn1 96240385 JAHGRHIZZYIXDG-MRXNPFEDSA-N 356.474 1.718 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cc(C)no3)cn2)CC1 257308814 TYFINSDCQUOLQN-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCCN(C(C)=O)C2)CC1 584902959 ASBLBSURSIRYEG-KRWDZBQOSA-N 374.485 1.928 0 40 FDAB Cc1ncc2n1C[C@H](C(=O)NCCc1ccc(OCC(=O)O)cc1)CC2 585139532 SQIWDPLIFQSMJB-OAHLLOKOSA-N 357.410 1.576 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccc(OC)cc1 257339853 ZDMODADXOBXJPT-MJGOQNOKSA-N 359.470 1.817 0 40 FDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)Cc2cccnc2)C1 257232475 GKZVCLHVVHLRTM-FQEVSTJZSA-N 357.429 1.859 0 40 FDAB Cc1nc(Cn2cc(C(=O)N3CC[C@H](C)c4cccc(O)c43)nn2)no1 280104330 DWUURTZCGIXEOI-JTQLQIEISA-N 354.370 1.877 0 40 FDAB O=C(CN1CCN([C@@H](C(=O)O)C2CC2)CC1)Nc1ccccc1Cl 635014886 ASWMQAFBJZVFNS-MRXNPFEDSA-N 351.834 1.759 0 40 FDAB COCCN1C[C@]2(COCCN(c3ncnc4ccsc34)C2)CC1=O 585104545 PXDYLUZKRAERAL-QGZVFWFLSA-N 362.455 1.393 0 40 FDAB Cc1noc(C)c1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 952844936 VKCXOTSTMDIFQR-IEWDOMPSSA-N 370.409 1.457 0 40 FDAB biogenic,in-vitro C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(Br)c1 96012572 GTMYWAPLRNAOSI-XLFHBGCDSA-N 354.291 1.837 0 40 FDAB O=C(CN1CCCC1=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668733 ZBAMOZDNVPVAJB-UHFFFAOYSA-N 355.398 1.460 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14137135 QWWDYDQCDFUXNF-CYBMUJFWSA-N 373.434 1.757 0 40 FDAB CCOc1ccc(-n2nnc(C(=O)N(C)Cc3nonc3C)c2C)cc1 19533641 HKSDSBWAGHADHL-UHFFFAOYSA-N 356.386 1.938 0 40 FDAB CN1CCc2c(O)nc(C3CCN(C(=O)c4cccnc4)CC3)nc2C1 19590750 XASMPSFUCIVFET-UHFFFAOYSA-N 353.426 1.585 0 40 FDAB COc1ccccc1Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 19818739 NMWIZUKOOGPVLV-UHFFFAOYSA-N 351.362 1.661 0 40 FDAB CN(c1ccccc1)c1nc(C(=O)N2CCC(O)(C(N)=O)CC2)cs1 626929217 QVBZEKZORURJLK-UHFFFAOYSA-N 360.439 1.363 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NCCc1c[nH]c2ccccc12 9364277 QVKIHJOSUKECIJ-UHFFFAOYSA-N 362.393 1.269 0 40 FDAB CCS(=O)(=O)N(C)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888876107 OQWPELRDIKNDNK-UHFFFAOYSA-N 350.419 1.753 0 40 FDAB O=C(NCC(=O)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1)OCc1ccccc1 1888941698 BQXGFMZCPJGREX-IAGOWNOFSA-N 357.454 1.856 0 40 FDAB NC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1CCc1ccccc1 1848353620 SCTMCQDNICVNTM-LJQANCHMSA-N 369.440 1.609 0 40 FDAB O=C([C@@H]1CCOC1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1776008291 CAMDFMLRKJROGQ-CYBMUJFWSA-N 359.813 1.984 0 40 FDAB CN(C1CN(c2ncnc(-c3ccccc3)c2F)C1)S(=O)(=O)C1CC1 1776008074 WYAGZLDFQBVKGG-UHFFFAOYSA-N 362.430 1.895 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnc2c(O)nccn12 238857993 KEHHWHFTWBYXBC-UHFFFAOYSA-N 361.789 1.957 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]2OCC[C@H]21 1565545987 SZCCFACIMQUODX-RCCFBDPRSA-N 372.469 1.332 0 40 FDAB CN(C)S(=O)(=O)Oc1cc2sc(=O)oc2cc1Br 1889210 LKOAKYFMWYRHRF-UHFFFAOYSA-N 354.203 1.802 0 40 FDAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 9071233 LMCLKVKBOBNCPX-UHFFFAOYSA-N 366.443 1.982 0 40 FDAB CC(C)CCNC(=O)c1cn(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c12 9659528 MKRWDKOLPIORAR-UHFFFAOYSA-N 354.410 1.793 0 40 FDAB COc1ncccc1C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732385 GDETWTJJRGKLLM-ZDUSSCGKSA-N 372.425 1.198 0 40 FDAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1 2055837484 KKVYXJGOPWHSTQ-WFASDCNBSA-N 367.331 1.938 0 40 FDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(=O)[nH]n1 207997039 AXWFEXBHUWDWFC-GFCCVEGCSA-N 353.338 1.059 0 40 FDAB COC(=O)CS[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 217557265 BMKVQCQGBMRNDF-CYBMUJFWSA-N 371.480 1.358 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CC(OCC(F)(F)F)C2)cc1 585365440 DOMCISIJMJZHIB-UHFFFAOYSA-N 353.318 1.425 0 40 FDAB N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5273905 IMMPMHKLUUZKAZ-SJLPKXTDSA-N 351.406 1.850 0 40 FDAB endogenous,in-man COc1ccccc1CCNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 25447009 TWICHERQKHIYMN-UHFFFAOYSA-N 367.405 1.720 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)cc1 40079663 QATGFCWKKRJESC-KRWDZBQOSA-N 359.470 1.596 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)[C@H](CO)NC(=O)c1ccccc1 40156484 PQNVDIUNYNNZDT-INIZCTEOSA-N 356.378 1.268 0 40 FDAB O=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1 30584061 YMWFNPZSZOGNNL-AWEZNQCLSA-N 374.466 1.937 0 40 FDAB COCCCn1c(SCC(=O)N(C)Cc2ccc(C)o2)n[nH]c1=O 29633659 ACVOJUOQQQLYGX-UHFFFAOYSA-N 354.432 1.260 0 40 FDAB CC1(C)Cc2cccc(OCCNC(=O)CN3CSCC3=O)c2O1 46301410 NFHXPPPQARVAFV-UHFFFAOYSA-N 350.440 1.428 0 40 FDAB CC(=O)N1CCN(CCNC(=O)c2cc(-c3ccccc3)ns2)CC1 78902939 AFKMIJUVPOFFSM-UHFFFAOYSA-N 358.467 1.704 0 40 FDAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 2772969 LHMHDOPIYYXELT-OAACRXHESA-N 353.758 1.950 0 40 FDAB COc1ccccc1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 3564400 MGRFZOVTMRGRGW-UHFFFAOYSA-N 364.423 1.080 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 6954699 OMQGIUAJJHJZMV-KPKJPENVSA-N 364.379 1.150 0 40 FDAB CCOC(=O)Cc1csc(SCC(=O)NC(=O)c2cccn2C)n1 7778589 JIGGGVIKGHEUPH-UHFFFAOYSA-N 367.452 1.636 0 40 FDAB COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 8277276 KOHTYPYDSHZDKP-AWEZNQCLSA-N 360.435 1.769 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1ccccc1F 8766933 MFLWRSYACKFKPY-SNVBAGLBSA-N 351.334 1.028 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 107712514 CIIBYKVIKPVFJN-IRXDYDNUSA-N 354.472 1.819 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1 851186 LGXVYMUFDRXPPG-KBPBESRZSA-N 366.439 1.577 0 40 FDAB Cn1c(=O)c2c(ncn2CCOc2ccc(C(C)(C)C)cc2)n(C)c1=O 12530391 YRFYUTJYEYTEHR-UHFFFAOYSA-N 356.426 1.810 0 40 FDAB Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1Cl 12556903 BQOOTOXXSQKBLL-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCc2sccc2C1 25466051 RNCAYVNIROOZAI-UHFFFAOYSA-N 355.419 1.998 0 40 FDAB CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 35362681 OYLOHEVDVUKLEG-UHFFFAOYSA-N 365.908 1.234 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCOc3ccccc32)ccc1OC 117011648 LBJANPIDCMFNLU-UHFFFAOYSA-N 362.407 1.643 0 40 FDAB NC(=O)NC(=O)CCN1CCC[C@H]1C1CCN(Cc2ccccc2)CC1 58008140 BOQRRDGCEHORNG-SFHVURJKSA-N 358.486 1.948 0 40 FDAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(=O)n(C)n2)CC1 3357803 QKJDQPXQCKYJJF-UHFFFAOYSA-N 361.833 1.438 0 40 FDAB C[C@@H](NC(=O)NCC(=O)Nc1ccc(F)cc1)c1nnc2ccccn12 58208552 BSDYBUOIGLSIJC-LLVKDONJSA-N 356.361 1.867 0 40 FDAB COC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3312687 NRKRZYGUUCRJGS-UHFFFAOYSA-N 354.428 1.154 0 40 FDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c1 100377217 WKKAPEKUXJUAHC-TUFGIGEDSA-N 357.362 1.059 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(CN2CCOCC2)CC1 48324260 YMCQRVCVUGXIEB-GOSISDBHSA-N 371.481 1.610 0 40 FDAB Cn1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1 28779282 DBCHUMIYMZSERQ-UHFFFAOYSA-N 362.333 1.513 0 40 FDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 36647514 RRUSTUSQDIXUQP-KRWDZBQOSA-N 372.494 1.582 0 40 FDAB O=C1CN(c2ccc(NC(=O)NCc3ccccn3)cc2Cl)CCN1 48560811 DDAQUXYUHKCOPR-UHFFFAOYSA-N 359.817 1.993 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)s1 69741169 HONUIZWQSFYBOL-LBPRGKRZSA-N 371.528 1.054 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1OC 3881894 FVDHBXQOSUJIFW-NVQRDWNXSA-N 359.378 1.113 0 40 FDAB Cc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cnn1C 13297635 OQKNZXGBRUJJEK-NSHDSACASA-N 356.382 1.649 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1cccs1 18249420 ZARCLBVUHOZSRZ-UHFFFAOYSA-N 358.467 1.888 0 40 FDAB NC(=O)c1ccc(NC(=O)Cn2c(NCCO)nc3ccccc32)cc1 5185265 GERJAAFNJBLICB-UHFFFAOYSA-N 353.382 1.178 0 40 FDAB O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 4472894 SLFHWWOYTNVNHQ-OAHLLOKOSA-N 353.378 1.370 0 40 FDAB CCOC[C@H]1CCCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 70921385 OTJVMJJKUCZKOA-AWEZNQCLSA-N 356.426 1.860 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)C3CC3)n2CC(N)=O)c1 14163177 UNDOSJFOCGKGLU-GFCCVEGCSA-N 373.482 1.746 0 40 FDAB Cc1c(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cnn1C 14240370 KDVFAVCZVZISKV-UHFFFAOYSA-N 370.425 1.513 0 40 FDAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 6627384 QTIKUFFMXYFBBL-UHFFFAOYSA-N 360.844 1.466 0 40 FDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccc1 6880778 RNYUOOIMONVKKV-UHFFFAOYSA-N 353.426 1.942 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1 6800759 FPQPOEASACUIFZ-UHFFFAOYSA-N 365.363 1.821 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 9226251 OMBOIELCLSERRU-JTQLQIEISA-N 372.830 1.925 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)C[S@@](C)=O)n2)cc1 96010498 NHDDJXAREPVOOO-BUBHHJDNSA-N 351.428 1.561 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCc1nnc(-c2ccccc2)o1 16258661 WEEPARNEPWHOHP-UHFFFAOYSA-N 363.333 1.585 0 40 FDAB CCOc1ccccc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 72307510 WPSAXEPAPKQYAZ-UHFFFAOYSA-N 356.488 1.962 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCc1ccccc1 8187959 FEHYFKIQLAEMQR-UHFFFAOYSA-N 351.362 1.294 0 40 FDAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)Nc3cccc(F)c3)N21 9304885 MKLARUYDIMNKLD-JTQLQIEISA-N 350.375 1.187 0 40 FDAB CN(C[C@@H](O)CN1CCOCC1)C(=O)c1csc(-c2ccoc2)n1 95409245 RUKLZGVAQALMNK-CYBMUJFWSA-N 351.428 1.168 0 40 FDAB COC(=O)[C@]1(NC(=O)c2cc(-c3cc(F)ccc3F)no2)CCOC1 88221730 YKRWTJGRZJKYBN-INIZCTEOSA-N 352.293 1.682 0 40 FDAB CCNC(=O)N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)Cc1ccco1)C2 306125477 CSEQBRJAVDIKJL-QAPCUYQASA-N 372.429 1.096 0 40 FDAB O=C(Cn1ncc2c(c1=O)NC(=O)CS2)Nc1ccc(Cl)cc1 65132341 PMXHCOPULBICNT-UHFFFAOYSA-N 350.787 1.580 0 40 FDAB Cc1c(C)[n+]([O-])c([C@@H](C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CC=CCC2)n1C 524734102 XCSXZLOFSVASSJ-ZIAGYGMSSA-N 374.441 1.382 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCOC)cc1Cl 408600344 AGIBKSRYDWLOGU-SNVBAGLBSA-N 364.851 1.168 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 32643063 CUSQHHHPLKJLNQ-UHFFFAOYSA-N 361.423 1.364 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(O)cc1 32096347 CGRAXZQVUJNLPF-KBPBESRZSA-N 367.405 1.889 0 40 FDAB CN1CCN(CCCNC(=O)c2nc(-c3ccc(N(C)C)cc3)no2)CC1 31806927 KNDAAYKSXVAOJT-UHFFFAOYSA-N 372.473 1.170 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1cccs1)C1CC1 75155336 KBKCQUBBHPJZPR-INIZCTEOSA-N 350.465 1.840 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 44840824 JOOCBIPAUHLLDX-UHFFFAOYSA-N 365.430 1.998 0 40 FDAB CC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccccc1)Cn1ccnc12 96144689 LTYXDOJNACXLIS-QGZVFWFLSA-N 368.437 1.436 0 40 FDAB O=C(NCCc1nccs1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473358 SZKDTYZDZZSZIN-SNVBAGLBSA-N 373.413 1.870 0 40 FDAB O=C(NCC1CC1)C1=NO[C@@]2(CCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 96225496 MVYILAKDKCZPFF-IBGZPJMESA-N 371.393 1.303 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@H]1COC 96219971 SZMRZHTXRLFCJJ-HNNXBMFYSA-N 351.447 1.573 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244482 BNYGFSRXMVPEQT-QGZVFWFLSA-N 368.503 1.455 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(CC1CC1)C2 96209937 HPMGAAVYTNPRMY-KRWDZBQOSA-N 356.532 1.939 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4ccccc4s3)C2)CN1C 248098355 YXKBCOSQPWROGX-CYBMUJFWSA-N 359.451 1.173 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)ncn1 257278888 OECGFOQFBALBPQ-MRXNPFEDSA-N 357.458 1.396 0 40 FDAB Cc1csc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)c1 257206587 BECRUGXSCMUENP-SNVBAGLBSA-N 355.441 1.397 0 40 FDAB OC[C@]1(F)CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 585080747 KMQJMUKOVPDHEA-SFHVURJKSA-N 372.868 1.957 0 40 FDAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)CCCC(=O)O 257301663 RZHYZSCFLUPZEM-UHFFFAOYSA-N 374.441 1.379 0 40 FDAB COc1cccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1OC 43979914 XZUOKYBWVLMKNE-UHFFFAOYSA-N 356.444 1.105 0 40 FDAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 287717253 YIIMWOGQVRBJKO-ZIAGYGMSSA-N 357.432 1.108 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H]1n1cccn1 624133048 GRRJEOKXJBSPOO-QXSJWSMHSA-N 361.446 1.054 0 40 FDAB COc1ccc2c(c1)C[C@H](C(=O)N1CCN([C@H](C)CC(=O)O)CC1)CO2 630220232 MTDPOGDNTIZBKO-HIFRSBDPSA-N 362.426 1.254 0 40 FDAB CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 630664390 FUIIYIYLFXAGCF-ROUUACIJSA-N 358.438 1.909 0 40 FDAB Cn1cc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c(=O)n(C)c1=O 640333672 RGRURNMSJFIUPC-UKRRQHHQSA-N 372.425 1.373 0 40 FDAB CCOc1nc2ccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2[nH]1 649140759 RIRLHXRYAQXACN-OAHLLOKOSA-N 358.442 1.945 0 40 FDAB CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cncc(F)c1 660150351 IWSDOIUEKGZUAD-AWEZNQCLSA-N 357.451 1.485 0 40 FDAB Cn1cc(CN2CC[C@H](N[C@@H]3CCCc4cccnc43)C2)c(C(N)=O)n1 1775961658 QNKSMOLEEAGZHZ-JKSUJKDBSA-N 354.458 1.156 0 40 FDAB CCCc1cc(NC(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccnn3C)C2)n(C)n1 1615551235 KZLQDMQWVBHFGX-HUUCEWRRSA-N 373.461 1.242 0 40 FDAB Cc1cnc(C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)cn1 390831605 SUEDAEBCBLUBJY-UHFFFAOYSA-N 366.381 1.073 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]21)c1ccccc1 575402464 APOIJBMRFUUHJR-BHIYHBOVSA-N 366.417 1.909 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3Cl)C2)OC1 585105379 VQBVZQKTRXMSMX-ZDUSSCGKSA-N 358.891 1.870 0 40 FDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)Cc4ccccn4)CC3)C2)cn1 585103233 AHDYWNABDWUCKL-UHFFFAOYSA-N 367.453 1.559 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cccnc2)CCO1 585283867 PIVJMVNQOLGNQK-IBGZPJMESA-N 373.384 1.386 0 40 FDAB Cc1sc2nc(-c3cccnc3)nc(N3CCN[C@H](C(N)=O)C3)c2c1C 57423102 ZPMYENOBACQPNN-ZDUSSCGKSA-N 368.466 1.634 0 40 FDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCCOc1ccccc1 58238207 QRQBVYWPOSJEBJ-ZDUSSCGKSA-N 367.496 1.963 0 40 FDAB COc1ccc(Cl)cc1CNC(=O)N1CCC2(CC1)NC(=O)CO2 1615589854 LTJIQPYFDMPJBX-UHFFFAOYSA-N 353.806 1.497 0 40 FDAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2ccc(=O)n(C)c2)on1 12337733 MWLOUXUALPBLNM-UHFFFAOYSA-N 353.382 1.420 0 40 FDAB CC(C)c1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13673558 XZWKKNSAQKYDGQ-UHFFFAOYSA-N 355.504 1.644 0 40 FDAB CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N 16756098 FUCNKILVZDDVMF-UHFFFAOYSA-N 365.459 1.637 0 40 FDAB Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 145059943 RBQPCTBFIPVIJN-UHFFFAOYSA-N 370.323 1.638 0 40 FDAB CCN(C(=O)CSc1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 5827115 BUVKJNVGUSBUIR-LBPRGKRZSA-N 367.496 1.701 0 40 FDAB COc1nccnc1N(C)CC1CCN(c2ncnc3c2cnn3C)CC1 1776009538 HKSATSWTOFMTOI-UHFFFAOYSA-N 368.445 1.515 0 40 FDAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)[C@]1(C)CC=CCC1)CC2 1565556000 TUFBVLVYXRCDNU-AUUYWEPGSA-N 360.458 1.437 0 40 FDAB O=C(c1cccc(Cl)n1)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565554396 YYHJLSJQKQGENZ-UHFFFAOYSA-N 373.844 1.544 0 40 FDAB CC[C@@H](C)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007683 QBTAIROBPTZSPE-CQSZACIVSA-N 371.437 1.598 0 40 FDAB Cc1cc(C)cc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049277 IKGBUKBVMHFNQT-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(NC(C)=O)cc1 10256160 ZHKQTIYNLXRBLV-KRWDZBQOSA-N 373.434 1.511 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccc2)CC1 2055747279 TVLSNVBKBUILFA-UHFFFAOYSA-N 369.469 1.524 0 40 FDAB Cc1cncc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)c1 2055773014 KCXGSFQMEKQBEU-UHFFFAOYSA-N 367.453 1.744 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)cc1 75155445 HCOWDSNGCXROLK-IBGZPJMESA-N 357.362 1.839 0 40 FDAB O=C(CN1CSCC1=O)/N=c1\sccn1Cc1ccccc1F 31089081 WIJPFELKRGJDQJ-ICFOKQHNSA-N 351.428 1.697 0 40 FDAB O=C(O)CCc1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12 32100285 ACCLAKQVKTUCFK-UHFFFAOYSA-N 352.398 1.468 0 40 FDAB CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 32843292 JPOAAVSSHZTAOE-UHFFFAOYSA-N 369.439 1.954 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(F)cc1)C2=O 2619773 UZJVJQJZOKBZNE-BFUOFWGJSA-N 361.417 1.985 0 40 FDAB COc1ccc(CN(C)C(=O)Cn2nnn(-c3cccs3)c2=O)cc1 29974523 SESTWJJVBMVAGD-UHFFFAOYSA-N 359.411 1.158 0 40 FDAB O=C(CNS(=O)(=O)c1ccccc1)Oc1ccc2ccc(=O)oc2c1 1090462 TUWAULJUHHUMHU-UHFFFAOYSA-N 359.359 1.677 0 40 FDAB Cc1nc(CCNCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cs1 79108839 FGXHKGNMLRBXOD-OAHLLOKOSA-N 354.501 1.514 0 40 FDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 21700031 VCAKSSCGGPVFJV-AWEZNQCLSA-N 371.455 1.712 0 40 FDAB CC1(C)OC[C@@H]([C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@H]2COC(C)(C)O2)O1 4758581 QWWCXQXIXFIHQA-FXUDXRNXSA-N 366.410 1.876 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4884816 UXXUWGNCUZDDFZ-XLPNERPQSA-N 362.401 1.803 0 40 FDAB Cc1sc(C(=O)Nc2ccccn2)cc1S(=O)(=O)N1CCOCC1 6679785 BIBFAOCRJBIQPF-UHFFFAOYSA-N 367.452 1.725 0 40 FDAB Cc1cc(C)n(NC(=O)c2c(I)cnn2C)c(=O)c1 2797652 AWHCXEWSHHVUKA-UHFFFAOYSA-N 372.166 1.187 0 40 FDAB CCN(CC(=O)NC1CCN(S(=O)(=O)CC)CC1)c1ccccc1 53796298 GSBXIPYOCKYPPG-UHFFFAOYSA-N 353.488 1.443 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)c(C)c1 22931013 HVZBMFMHDHANME-MRXNPFEDSA-N 358.486 1.527 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1 9288617 RAUQCPFTHNBTSP-GXTWGEPZSA-N 366.439 1.496 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4ncnn34)C(=O)N1CC2 1384264 PKHANAXIEVXFMP-ZDUSSCGKSA-N 351.366 1.437 0 40 FDAB CC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C)cc1 12551822 OJSVTQVXQOKOSP-AWEZNQCLSA-N 369.425 1.010 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccccc2)c1 12526254 VUFGTGLRDGZQOM-UHFFFAOYSA-N 356.425 1.443 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCc1ccc(Br)cc1 58016175 PZGHNPBCZYCSSW-UHFFFAOYSA-N 367.199 1.810 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCc1ccncc1 58178149 NYFHJWGVJUREON-UHFFFAOYSA-N 368.480 1.657 0 40 FDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58194603 AZKGWWQBQUSYCZ-GFCCVEGCSA-N 350.362 1.913 0 40 FDAB O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1cn[nH]c1 58191318 LUOWBDODESARHZ-UHFFFAOYSA-N 358.217 1.726 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420635 OWDXQNUTULMXQF-YGTYGHESSA-N 360.410 1.370 0 40 FDAB CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1 2136455 UWIUYTPBOQEPCK-GJZGRUSLSA-N 355.479 1.214 0 40 FDAB biogenic O=C(Nc1nnn[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 10386613 VXZUCZSVIPQTPE-UHFFFAOYSA-N 370.822 1.280 0 40 FDAB O=C(CN1CCN(c2nccs2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 36389901 MRPSWGVGNJYXHO-UHFFFAOYSA-N 373.482 1.712 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 3329695 YBWWYMPHEYZPTC-QGZVFWFLSA-N 352.390 1.857 0 40 FDAB CCOc1ccc(NC(=O)[C@H](C)n2ccnc2)cc1S(=O)(=O)N(C)C 45879024 FTPORNOOUQHLOL-LBPRGKRZSA-N 366.443 1.732 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2ccccc2)n1 11781211 PFSJDROQSWCDIF-UHFFFAOYSA-N 363.373 1.950 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)C[C@H](C)O1 12855558 BJOWPDFHBKKXER-GJZGRUSLSA-N 364.471 1.358 0 40 FDAB CCOC(=O)c1cc(C)sc1NC(=O)Cn1nc2ccccn2c1=O 69926853 IQFGEDOAGXXMGH-UHFFFAOYSA-N 360.395 1.681 0 40 FDAB CCOC(=O)N1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 38442608 KLGCSIWRJVFPPS-UHFFFAOYSA-N 369.849 1.609 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2=NN(C)C(=O)CC2)c1 8771229 IOACBXRHANWBNL-UHFFFAOYSA-N 366.443 1.264 0 40 FDAB COC(=O)c1ccccc1OC(=O)c1cccc(S(=O)(=O)N(C)C)c1 13141602 CZPBJCNTEFKXSH-UHFFFAOYSA-N 363.391 1.943 0 40 FDAB Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 4040391 GGCQUPWIAOIJAY-UHFFFAOYSA-N 357.389 1.221 0 40 FDAB O=C(CCc1nc(-c2ccncc2)no1)NCc1nnc2n1CCCCC2 22701188 JPJAODXKSCXJIZ-UHFFFAOYSA-N 367.413 1.699 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(CC)cc3)C2=O)C1 5054982 NKVILAYQBFTSID-KRWDZBQOSA-N 358.354 1.557 0 40 FDAB Cc1ccccc1-n1nnnc1C1(N2C[C@@H](O)C[C@@H]2C(=O)O)CCCCC1 5180465 GMLDUIVPLYJQHJ-GOEBONIOSA-N 371.441 1.650 0 40 FDAB C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)c1ccc(Br)cc1 4347935 ZTHHBZRIBQYULN-QMMMGPOBSA-N 353.172 1.830 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 14138586 RPBJRDPSMYBFBR-HNNXBMFYSA-N 363.421 1.640 0 40 FDAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nn2cnnc2)c1 6650060 RJMLKGYXMCMBBU-UHFFFAOYSA-N 373.394 1.471 0 40 FDAB NC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc2c1CCCC2 5692929 MXWKNBPZFYHVIM-UHFFFAOYSA-N 359.407 1.916 0 40 FDAB Cc1ccc2nc(COC(=O)c3ccccc3S(C)(=O)=O)cc(=O)n2c1 7470473 ZYVCKXGMAASGHZ-UHFFFAOYSA-N 372.402 1.763 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NCc3ccco3)c(=O)c12 7552867 VOXUAUYJYQQFSC-UHFFFAOYSA-N 359.338 1.384 0 40 FDAB CC(C)N1CC[C@]2(Cc3nc(=O)c(C(=O)NC4CCCCC4)cn3C2)C1 306123426 AMWIEDGMIDKHKY-FQEVSTJZSA-N 358.486 1.962 0 40 FDAB COc1ccc(CC(=O)NCc2nnc3nc(C)cc(C)n23)cc1OC 9514701 IQEIAGNQJLZJCJ-UHFFFAOYSA-N 355.398 1.617 0 40 FDAB COc1ccc(OCCOn2nnc3ccc(S(C)(=O)=O)cc32)cc1 9689946 DQQNQGLDZISRQC-UHFFFAOYSA-N 363.395 1.351 0 40 FDAB O=C(Cc1ccc2c(c1)OCC2)N1CCN(CCc2ccccn2)CC1 95480779 DERGFWPSONMFHL-UHFFFAOYSA-N 351.450 1.946 0 40 FDAB O=C(N[C@H](CO)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 95983077 BPAFYCKNRPALEX-QGZVFWFLSA-N 360.435 1.690 0 40 FDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC(=O)NC1=O 89753975 RTAXGHPNDCUDKI-KCJUWKMLSA-N 355.188 1.138 0 40 FDAB O=C(c1cnc2sccn2c1=O)N1CCN(Cc2ccccc2F)CC1 28233135 AMDLNHFQSITVRO-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)n1 306141637 WCSRLSWERYHRBQ-HNNXBMFYSA-N 363.425 1.761 0 40 FDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NC1CCC1 72325893 IUDAZIHZZXXELD-IBGZPJMESA-N 356.426 1.219 0 40 FDAB O=C(NC1=NCCS1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 72401637 HKMCVUIKMKNWHI-UHFFFAOYSA-N 371.378 1.260 0 40 FDAB CCN(CC)Cc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 71260576 QMWBZJSQXIZIFQ-UHFFFAOYSA-N 370.438 1.824 0 40 FDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 72326104 GRKFHZJGCIIBPR-IBGZPJMESA-N 357.410 1.140 0 40 FDAB COc1cc([C@@H]2c3c(C)n[nH]c3Nc3c2c(=O)n(C)c(=O)n3C)ccc1O 79494671 DQWBNTCEBBMAKO-CYBMUJFWSA-N 369.381 1.067 0 40 FDAB O=C1SCCN1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 40039230 PGJCWCLFKCTGCO-UHFFFAOYSA-N 359.448 1.258 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccccc2C)s1 225132584 OKZZHVVGEPUGJM-UHFFFAOYSA-N 356.429 1.162 0 40 FDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225510452 MLATYMWHFBGDFQ-OAHLLOKOSA-N 368.437 1.588 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCc1nc(C)cc(N(C)C)n1 224190946 DWTVIPHPQDMDTN-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccc(Cl)s1 225646252 INZCMLMTHBGGPH-UHFFFAOYSA-N 357.848 1.750 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c(CC(=O)O)c1 575985737 ZYKICZIMGQBTEJ-GTTSAUCSSA-N 371.455 1.660 0 40 FDAB COc1cc2c(cc1S(=O)(=O)N1CCC(C(N)=O)CC1)CCCC2 224958798 SOYGZGZPCVWQRO-UHFFFAOYSA-N 352.456 1.460 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H]2COCc3c(C)nnn3C2)cc1F 96199370 CZWWHJTZEYABDJ-LBPRGKRZSA-N 354.407 1.159 0 40 FDAB CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1 96267391 SSWIRKLLDDPVRX-UHFFFAOYSA-N 355.442 1.635 0 40 FDAB CN1CCN(C[C@H]2CO[C@]3(CCCN(C(=O)c4ccccn4)C3)C2)CC1 96228456 MSKMDBQXHKNYPX-FXAWDEMLSA-N 358.486 1.340 0 40 FDAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCCCO1 96037579 CKYCYPFRPDWUQT-UHFFFAOYSA-N 357.414 1.486 0 40 FDAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)C1 96306447 MQCYJOVKMODVJL-ZIAGYGMSSA-N 367.453 1.954 0 40 FDAB CN(C)C(=O)CN1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244287 GFUVGMOHZMHMDY-IBGZPJMESA-N 353.426 1.101 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583618948 LNKPHGDQJDRKFN-SFHVURJKSA-N 359.430 1.315 0 40 FDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96093880 NEGMWXNYDBMZMU-MRXNPFEDSA-N 350.422 1.884 0 40 FDAB COc1ccc(C[C@@H](C)CNS(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 581546104 VDFREROOLWVMDR-HIFRSBDPSA-N 370.471 1.505 0 40 FDAB COc1ncccc1C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96107759 MTRGKXYXORDPFN-BEFAXECRSA-N 355.394 1.938 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@@H](COc4ccccn4)CCN3C)C2)no1 248088827 BTPIWGCSBSXIJP-HNNXBMFYSA-N 356.426 1.993 0 40 FDAB COc1cccc(S(=O)(=O)N2CC3(CC[C@@H](CN(C)C)CO3)C2)c1 248097026 GVAHTUHMCRAVAG-AWEZNQCLSA-N 354.472 1.427 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc1 257211564 BZJBNYKKOCNKAJ-QGZVFWFLSA-N 354.410 1.394 0 40 FDAB Nc1cc(CC[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ccn1 257269107 MOOYKQVZGPMGCV-HNNXBMFYSA-N 355.394 1.866 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257343102 ZRMRHFWXUKAVFP-IBGZPJMESA-N 357.458 1.454 0 40 FDAB O=C(O)c1ccccc1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 262164919 KWIIYXLQGZDOJI-INIZCTEOSA-N 374.437 1.415 0 40 FDAB Cc1cccc2c(CCC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)c[nH]c12 265931463 GCKANVIESFBIND-OAHLLOKOSA-N 363.483 1.949 0 40 FDAB C[C@]1(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCc2ccccc21 608123172 CRWLIGNDRJROOF-SRWXMBJJSA-N 368.433 1.517 0 40 FDAB CO[C@@H]1CN(Cc2nc(Cc3cccc(F)c3)no2)C[C@H]1c1cnn[nH]1 621316883 FROKZZOLYPOZBF-DZGCQCFKSA-N 358.377 1.532 0 40 FDAB O=C(NCc1cccc2c1CCCN2)[C@@H]1C[C@@H](O)CN1c1ccncn1 638237723 VNAIIKIIELXIIT-PBHICJAKSA-N 353.426 1.091 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N1CC[C@@H](c2cc(O)nc(=N)[nH]2)C1 630721118 CLULETIQZAQHGW-CQSZACIVSA-N 351.410 1.874 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CCc3cccc(C(=O)O)c3C2)CC1 649257770 XSEYBVMJOAJSQZ-UHFFFAOYSA-N 359.426 1.663 0 40 FDAB Cc1cncc(CCNC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 661122763 HYXYYGFXJSQTKA-YJBOKZPZSA-N 367.453 1.816 0 40 FDAB CCN1C(=O)C[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]1c1cnn(C)c1C 666237702 MWGWIFJBBDLCLE-YOEHRIQHSA-N 359.430 1.593 0 40 FDAB COc1cc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1F 675643286 XYWLHTLAXPWBPA-UHFFFAOYSA-N 356.419 1.521 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)CCO1 681941320 BYUDRLACIQANQP-DLBZAZTESA-N 374.437 1.267 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1 585099071 HXBCHGYNFKNIFS-CYBMUJFWSA-N 355.394 1.625 0 40 FDAB Cc1nc(O)cc(C(=O)N2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)n1 585275529 CHPMIXMSCMXXQO-CZUORRHYSA-N 370.409 1.276 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)nc1 46821014 DXZYZFBJFHWNRR-CYBMUJFWSA-N 357.414 1.175 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCCC(=O)N(C)C)c2C)n1 58341843 VHEFVEFFUHQLMF-UHFFFAOYSA-N 358.446 1.033 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)cc1C 548204883 TYQJHORLQMBLSJ-CHWSQXEVSA-N 357.428 1.470 0 40 FDAB O=C(NCC1(OCCO)CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 888107110 MXFVRNWXIAXNGF-UHFFFAOYSA-N 358.797 1.856 0 40 FDAB COC1=Cc2c(nc3n(c2=O)[C@H](C(C)C)C(=O)N[C@]3(O)C(C)C)OC=C1 1772591259 OZCWRYRBOZETGX-ACJLOTCBSA-N 361.398 1.265 0 40 FDAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc(O)cc1)C(=O)O 5257870 XHLUJPISKUWZAY-INIZCTEOSA-N 373.409 1.884 0 40 FDAB CCOC(=O)Cn1cc(CN2CCn3c(CO)nnc3C2)c2ccccc21 12222166 GAUZNVPFJHEYOV-UHFFFAOYSA-N 369.425 1.304 0 40 FDAB O=C1CCc2cc(S(=O)(=O)NC[C@H]3Cc4ccccc4O3)ccc2N1 12238953 CAXOFKOQGPFIJY-CQSZACIVSA-N 358.419 1.853 0 40 FDAB CN1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3cccnc3)ncc2C1 19590358 ZCRNRZZRMXEXME-KRWDZBQOSA-N 373.482 1.775 0 40 FDAB Cn1c(=O)oc2cc(NC(=O)CN3CCC[C@H]3Cn3cccn3)ccc21 19658929 HNMVRQPFPZWDIR-AWEZNQCLSA-N 355.398 1.431 0 40 FDAB O=S(=O)(N1CCCC1)N1C[C@@H](CN2CCOCC2)c2ccccc21 19374937 LTYOTYQCIFFESJ-OAHLLOKOSA-N 351.472 1.263 0 40 FDAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888869961 VUZMRVOUTRJPIB-BETUJISGSA-N 358.471 1.925 0 40 FDAB O=C(c1ccc2nsnc2c1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888890807 LJOKCTZVIOSMLO-STQMWFEESA-N 352.423 1.690 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nc2ccccc21 1888903773 YNIJRTPPKNXHPO-BETUJISGSA-N 351.414 1.383 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccccc3N3CCCC3)C[C@@H]21 1848354326 QWBIWKQTBZSLIJ-OALUTQOASA-N 359.470 1.345 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)c1cccnc1O[C@@H]1CCOC1 245131301 VOCBVEFBVAEGFH-CQSZACIVSA-N 366.381 1.155 0 40 FDAB Cc1nc2c(c(N3CCN(c4ccc5nnc(C)n5n4)CC3)n1)CCC2 2087026209 CFAQOJKYRTWLLE-UHFFFAOYSA-N 350.430 1.346 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccc(F)cc2)CC1 2055772821 JBLXNZMQGRTFON-UHFFFAOYSA-N 374.416 1.416 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccnnc1 2055739253 OWVDDBHDMACENR-LBPRGKRZSA-N 367.365 1.275 0 40 FDAB O=C(CC1CCOCC1)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739383 TYZUEIADQRKPOC-AWEZNQCLSA-N 361.442 1.605 0 40 FDAB COc1ccc2cc(C(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)[nH]c2c1 1775966304 WYITXZIAKQQOSU-UHFFFAOYSA-N 369.356 1.595 0 40 FDAB COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 26455775 YPMYAGKRYUGMMW-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NC[C@H]1CCCO1 4329602 OWVBUCOFOFJRBO-SNVBAGLBSA-N 355.441 1.185 0 40 FDAB COc1ccc2nc(Cl)c(CNCCO)c(N3CCOCC3)c2c1 12186147 WFXJZGINFOWDAL-UHFFFAOYSA-N 351.834 1.815 0 40 FDAB CN(C)C(=O)CNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8359313 MWXOORYNNRQKDJ-UHFFFAOYSA-N 373.482 1.500 0 40 FDAB O=C(CCNC(=O)C1CCN(CC(F)(F)F)CC1)Nc1ccccn1 40154466 ORQPCCGDPUJEEJ-UHFFFAOYSA-N 358.364 1.801 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2c(F)cccc2Cl)CC1 40162235 OIUAOTMWPYOXHG-AWEZNQCLSA-N 369.868 1.844 0 40 FDAB O=C(Nc1ccccc1)C1CCN(C(=O)COC(=O)C2(O)CCCC2)CC1 51177442 GTLMJKGCHUIFHW-UHFFFAOYSA-N 374.437 1.712 0 40 FDAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NCC(F)(F)F 3419602 XNZYZRKZUODHJZ-UHFFFAOYSA-N 365.783 1.957 0 40 FDAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 3841751 XYKUAINKUQDSAB-REWJHTLYSA-N 351.428 1.254 0 40 FDAB biogenic,in-vitro CCOC(=O)CNC(=O)CSc1nnc2c(C)cc3ccccc3n12 4213881 UDLHGVXJPMPDPA-UHFFFAOYSA-N 358.423 1.962 0 40 FDAB CCc1nnc(NC(=O)Cn2nc(-c3ccccc3OC)ccc2=O)s1 4375470 PDLCUMGBNCGGRQ-UHFFFAOYSA-N 371.422 1.972 0 40 FDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc3c(c2)OCO3)N1 12347248 BWQPLKKGAMQHKH-MEDUHNTESA-N 357.366 1.045 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(NC(=O)c2cccs2)cc1 22220165 FUAJTZZVXSJJTE-UHFFFAOYSA-N 373.390 1.709 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)[C@@H](C)N1CCOCC1 104598562 VSWNJZYHXINCJN-SCTDSRPQSA-N 373.497 1.446 0 40 FDAB CCn1c(CCC(=O)NC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 12520475 OZGNXRLXKDZUDJ-UHFFFAOYSA-N 366.487 1.764 0 40 FDAB Cc1cn2c(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c(C)nc2s1 104868183 FHJWUUPSFHVCCO-GQUDHXATSA-N 361.492 1.987 0 40 FDAB Cn1c2ccc(Br)cc2c2nnc(SCC(N)=O)nc21 1366209 YFLJYJNUTVBZNZ-UHFFFAOYSA-N 352.217 1.856 0 40 FDAB CCCN1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1 25562489 MORDHHJSKVGMNX-QGZVFWFLSA-N 350.459 1.665 0 40 FDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCO)c1 3217948 UKBAFBKZBZUCBX-CQSZACIVSA-N 374.462 1.939 0 40 FDAB O=C(NCc1ccc(O)cc1)C(=O)Nc1ccccc1N1CCOCC1 62021207 NXVOTJNPLOEZGH-UHFFFAOYSA-N 355.394 1.484 0 40 FDAB O=C(Nc1ccccc1)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 44578614 IAPUYGCNHKSABC-RDJZCZTQSA-N 372.446 1.917 0 40 FDAB CCCNC(=O)CNC(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1 58163206 QQDSFJYSUGYWPD-UHFFFAOYSA-N 350.444 1.176 0 40 FDAB COc1cccc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)n1 108525932 AVQRTFXTSVABEF-OALUTQOASA-N 354.454 1.961 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](C)O[C@H](C)C1 58291099 JVSIXBYAROMUFQ-ZACQAIPSSA-N 361.490 1.259 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 48275461 AUBYFHLJNQQBRI-BBRMVZONSA-N 374.441 1.937 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cn3cncn3)cc2)c1 11289328 PJMRVCCWKLOUQO-UHFFFAOYSA-N 360.381 1.769 0 40 FDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)c1 3301094 NKFMCIDLZXBLBF-UHFFFAOYSA-N 352.390 1.857 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N2CCOCC2)nc1 29028409 AXOXJPDTFNBKDH-UHFFFAOYSA-N 355.394 1.919 0 40 FDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nccnc1N 12816483 ASGCBFHBPANLJC-UHFFFAOYSA-N 353.304 1.788 0 40 FDAB CCN1CCc2c(cccc2-n2nnc(C(=O)N3CCOCC3)c2C)C1 69570282 VTXDYIQTHPOXJL-UHFFFAOYSA-N 355.442 1.426 0 40 FDAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1 12933620 JBCKYUAFLBMMRR-UHFFFAOYSA-N 352.865 1.042 0 40 FDAB CCn1cc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)c(C(N)=O)n1 28234658 KFEWGLAZRPLHCG-QMMMGPOBSA-N 372.351 1.800 0 40 FDAB CCn1nnnc1SCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 8750263 YKSYDZCVHCLXFJ-UHFFFAOYSA-N 357.443 1.629 0 40 FDAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCCN2CCOCC2)CC1 408708404 ZERCNHPDQTZCCR-UHFFFAOYSA-N 367.534 1.936 0 40 FDAB CCn1cc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)c(C(N)=O)n1 28234663 KFEWGLAZRPLHCG-MRVPVSSYSA-N 372.351 1.800 0 40 FDAB Cc1nc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)oc1C 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355.423 1.962 0 40 FDAB CNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 67477899 MBXCZCSMTMLGLC-KRWDZBQOSA-N 357.454 1.205 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1nc(-c2ccccc2)no1 9303245 OUBBGXBRBYMSID-UHFFFAOYSA-N 361.361 1.763 0 40 FDAB Cc1ccc(-n2nnnc2SCn2nnc3ccccc3c2=O)cc1 7813468 LZIPFMPKOGFIDS-UHFFFAOYSA-N 351.395 1.825 0 40 FDAB Cc1cc(CC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)no1 96005172 CSFPOTOXFPZMPV-INIZCTEOSA-N 363.439 1.958 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)c2cccc(NC(N)=O)c2)cc1 8303004 KZODBWBDHGYXNG-UHFFFAOYSA-N 356.382 1.897 0 40 FDAB C[C@H](OC(=O)c1cc(Br)ccc1N)C(=O)NC(=O)NC1CC1 9469562 OWCDBIDSPASMJN-ZETCQYMHSA-N 370.203 1.565 0 40 FDAB CCCCc1nc(C)sc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 95472425 FOXNHVSNPNOQTD-UHFFFAOYSA-N 374.532 1.358 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21 9843794 JPYYTJWRDZOGSW-UHFFFAOYSA-N 366.421 1.326 0 40 FDAB O=C(C[S@@](=O)Cc1nnnn1-c1ccccc1)Nc1cccc(F)c1 72274719 HTUXSCDYCVUFEB-RUZDIDTESA-N 359.386 1.689 0 40 FDAB Cc1cc(C)n2nc(CCCOC(=O)CNC(=O)CC3CCCC3)nc2n1 95952858 DWKSKJXYJMFUPS-UHFFFAOYSA-N 373.457 1.913 0 40 FDAB NC(=O)C(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12 408565712 CWLIJNYZGWCTPF-UHFFFAOYSA-N 361.401 1.894 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@@H]2CCOc1ccccn1)C(F)(F)F 306131859 KRGOUQRYJMCLHE-NSHDSACASA-N 366.361 1.791 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)C(=O)NCCC2 211129247 PTQZVQBRDMWYKK-NOZJJQNGSA-N 359.407 1.986 0 40 FDAB O=C(NCCCn1ncccc1=O)c1coc(NC(=O)c2cccs2)n1 62023083 JIMLRSSREAKIAI-UHFFFAOYSA-N 373.394 1.365 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c(C)c1 224221575 WEFFQCNMCPRHCQ-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225882371 QOXMFLQFBTWUSF-UHFFFAOYSA-N 364.519 2.000 0 40 FDAB CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1 89223210 BXOSYQSFTOLZST-UHFFFAOYSA-N 361.402 1.906 0 40 FDAB CCCNC(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 48987636 IEYUNVNLYIVYFW-UHFFFAOYSA-N 361.402 1.638 0 40 FDAB COc1ccc(CCNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1OC 40285705 UUXAKHVPKAFMCE-UHFFFAOYSA-N 360.414 1.352 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 96229241 HSMQQDCVYDJSMU-RHSMWYFYSA-N 351.472 1.768 0 40 FDAB CC(C)n1cnc2nnc3ccc(C(=O)NCCN4CCOCC4)cc3c21 96146568 RXMCGDZBCBKVNR-UHFFFAOYSA-N 368.441 1.622 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(C(=O)c1ccco1)C2 96060783 ZJLUPZMYEYOZSG-ZDUSSCGKSA-N 353.382 1.760 0 40 FDAB COc1ncccc1CN1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1 96187409 CRRVDWDUVMJDNJ-ZDUSSCGKSA-N 355.442 1.996 0 40 FDAB O=C(c1cccnc1)N1CCOC2(CCN(c3ncc(F)cn3)CC2)C1 96158945 PZLQUWOLRVNQGN-UHFFFAOYSA-N 357.389 1.522 0 40 FDAB COCCN(C)C(=O)c1ccc2nnc3nc(C)n(CCN(C)C)c3c2c1 96264285 OAUSCVSSMZSYGE-UHFFFAOYSA-N 370.457 1.568 0 40 FDAB COc1ncccc1CN1C[C@@H]2OCCN(c3ccnc(N(C)C)n3)[C@@H]2C1 96248874 MUOWOTOLFIKYDR-CVEARBPZSA-N 370.457 1.036 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccccc1C)C2 248154059 LCFVQJSTEMJDAA-MRXNPFEDSA-N 351.468 1.590 0 40 FDAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCC1CCOCC1 247841971 FTBXKNQJISDORX-GOSISDBHSA-N 362.474 1.352 0 40 FDAB Cn1nccc1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 248035454 MQNLSAJGOKGLRT-QGZVFWFLSA-N 351.410 1.858 0 40 FDAB O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257279164 OFHDIDKGKVSYRI-ROUUACIJSA-N 351.406 1.376 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 257280295 OKIITLFZJBDPMX-MRXNPFEDSA-N 360.435 1.598 0 40 FDAB CCOCC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(C(=O)O)c2)[C@H]1O 257343819 ZUNVMMGDDZZQOM-VYDXJSESSA-N 351.399 1.541 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCCN1c1nccs1 593071567 JYBINRRQRFFGQQ-CYBMUJFWSA-N 355.427 1.404 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)c1 575404596 NYXRDNKEKRYOCJ-KRWDZBQOSA-N 354.410 1.943 0 40 FDAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 585110092 HWBJQWCNEAXBQP-ZBFHGGJFSA-N 368.437 1.301 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@@H]2OCC[C@@H]21 585109307 IEVUQICQQJJYOI-ZOBUZTSGSA-N 370.409 1.232 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1Cc1ccc(F)cc1 585277717 OLZCUKJFOZCABW-ROUUACIJSA-N 358.417 1.761 0 40 FDAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cnccn4)CC3)[C@H]2C1 585106132 PSMHIJUATCHWMC-XHSDSOJGSA-N 371.485 1.175 0 40 FDAB COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c(c1=O)O[C@H](C)C2 1772591620 IUHGCYSFZSKKDN-SECBINFHSA-N 374.345 1.998 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2nnc(C)o2)c1 5801849 UXLHHDCUQLMYMT-UHFFFAOYSA-N 371.390 1.905 0 40 FDAB CN(C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)OCCO2 12222339 RBQHZGYHICPUCT-UHFFFAOYSA-N 355.438 1.986 0 40 FDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc2c(c1)OC(F)(F)O2 13637559 NKWDNEFUAITYFU-UHFFFAOYSA-N 352.249 1.492 0 40 FDAB Cc1ccc(CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 14196923 ZMJUAPUAERVZKR-UHFFFAOYSA-N 373.478 1.664 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 16816731 XGQPGDPZJXUECH-UHFFFAOYSA-N 363.345 1.496 0 40 FDAB CCn1nnc2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)ccc21 18099882 JSFIFPDENQJZJU-UHFFFAOYSA-N 362.393 1.960 0 40 FDAB O=C(NCCS(=O)(=O)N1CCCC1)c1cc(-c2cccc(F)c2)no1 19666750 QOVUHBRTHVCHDA-UHFFFAOYSA-N 367.402 1.636 0 40 FDAB Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](CC(N)=O)C1 624803139 PMWWNOLQWXWBQI-LBPRGKRZSA-N 354.414 1.054 0 40 FDAB O=C1COCC(=O)N1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 575609331 WAHNCMAIAZTXHO-UHFFFAOYSA-N 360.454 1.579 0 40 FDAB COc1nc(N2CCO[C@H](C(=O)N3CCCC3)C2)ncc1Br 1888853925 XRKLTJIIFMSURF-NSHDSACASA-N 371.235 1.075 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccnn5C)C[C@@H]4C3)n1)CCC2 1888866298 UOMLFEXDLFVTNX-KBPBESRZSA-N 352.442 1.216 0 40 FDAB Cc1nnc(N2CC(NC(=O)COc3cccc4c3OC(C)(C)C4)C2)s1 1888866574 RDNFAXRQZJZBQQ-UHFFFAOYSA-N 374.466 1.944 0 40 FDAB O=C(CCc1cccnc1)NCCNS(=O)(=O)c1cccc(Cl)c1 25133013 GBQGJAZRCPPDGR-UHFFFAOYSA-N 367.858 1.762 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 239310277 IHIIXTOFXQNUHT-BPKGMFCQSA-N 351.399 1.116 0 40 FDAB Cn1cc(-c2cncc(N3CCN(c4ncnc5c4CCC5)CC3)n2)cn1 2087144449 DEVVSYWUCDPSJK-UHFFFAOYSA-N 362.441 1.482 0 40 FDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cc(F)ncc1F 1565554666 DFBWTXWEEIJTLT-JTQLQIEISA-N 359.340 1.413 0 40 FDAB O=C(O)CCCC(=O)NCc1cccc(CNC(=O)CCCC(=O)O)c1 4491908 SCPOSKOAACWLNE-UHFFFAOYSA-N 364.398 1.429 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cn(CC3CC3)nc2[C@H](COCC2CC2)C1 2055751372 PHCGWRUJBJINRU-INIZCTEOSA-N 368.503 1.425 0 40 FDAB Cc1nnc2ccc(N3CCN(c4ccc(-c5ccncc5)nn4)CC3)nn12 1775973577 OKCVTPCKOZHCME-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cn1ncc2c(N3CCN(c4ccc(-c5ccccn5)nn4)CC3)ncnc21 1775974917 XDAPORCJLQHHKI-UHFFFAOYSA-N 373.424 1.542 0 40 FDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(-c2ccccc2F)nn1 2298049980 YPETZWZNFOPNGP-UHFFFAOYSA-N 361.402 1.724 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCCOc1ccccc1 12376789 SBFVSBYSDOKHQP-UHFFFAOYSA-N 373.800 1.278 0 40 FDAB CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 20290819 BRQKJFGXLTZDEQ-UHFFFAOYSA-N 361.398 1.508 0 40 FDAB C[C@@H]1C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C(=O)N1c1ccc(F)cc1 21267742 ZUKQCBPSOYCQBU-SNVBAGLBSA-N 364.377 1.607 0 40 FDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 32771454 HHCRQRLEERJSSZ-UHFFFAOYSA-N 366.892 1.432 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C(N)=O)C1 41132589 CECSEIBMABSNSX-DZGCQCFKSA-N 359.426 1.024 0 40 FDAB COc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1OC 32859783 HFEXUYGUCLSMKA-UHFFFAOYSA-N 359.382 1.220 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1oc(-c3ccc(Br)cc3)cn12 824761 VLTMGWXDIYFISG-UHFFFAOYSA-N 361.155 1.897 0 40 FDAB CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030458 QPYBTRNKKVMMBO-ZDUSSCGKSA-N 359.469 1.176 0 40 FDAB CCCN1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 7989995 VOVMSLFMOYYBFQ-UHFFFAOYSA-N 360.501 1.026 0 40 FDAB COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298630 XIFIBIODRLQQQX-UNEWFSDZSA-N 359.430 1.044 0 40 FDAB biogenic,in-vitro O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2Cl)n1 102015041 HBVYMVMNUDDMMT-XDQVBPFNSA-N 358.785 1.647 0 40 FDAB O=c1cc(CN2CCN(Cn3cnc4ccccc43)CC2)nc2ccccn12 23057842 RRYMTAVWFLPABS-UHFFFAOYSA-N 374.448 1.820 0 40 FDAB CCN1CCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 22037436 GBPSMZOVQPUGMC-MRXNPFEDSA-N 371.485 1.449 0 40 FDAB COc1cccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 23995687 VKQLPSCYOHPDGP-UHFFFAOYSA-N 367.449 1.769 0 40 FDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974619 LRCHODVTSKRQBF-LLVKDONJSA-N 360.863 1.885 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 43282934 XTXXZGCAQALIAI-MRXNPFEDSA-N 363.439 1.859 0 40 FDAB Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c2c(=O)[nH]n(C)c2n1 24985455 JXJMDIWPXBTQFW-UHFFFAOYSA-N 367.365 1.779 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@H]1CSC[C@H]1O 54360900 SNUHTYWYVCGUSW-KZHSWYDLSA-N 364.448 1.315 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1Cc2ccccc2O1 25153104 INNQNYNCLQCWOX-GFCCVEGCSA-N 352.437 1.146 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)N2CCCN(c3nccs3)CC2)C[C@@H](C)O1 106864922 ALTNJGPPAOQPLT-ZNMIVQPWSA-N 352.504 1.680 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CN1Cc1ccccc1 25342795 VMHHXTBUFHUPPK-QGZVFWFLSA-N 365.437 1.174 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1cnn2cccnc12 100141289 OVAWPTVRBXBKAT-IUODEOHRSA-N 359.393 1.982 0 40 FDAB CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1 24050975 WYXFHGAQAKFZLX-UHFFFAOYSA-N 351.449 1.837 0 40 FDAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 12666145 JPTKTCKIQNHCFD-CQSZACIVSA-N 354.410 1.580 0 40 FDAB CCN(CC)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cn1 48173912 VFXOGLWOLUXUJZ-UHFFFAOYSA-N 355.464 1.037 0 40 FDAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCOCC2)cc1C 26969799 BRTDWROMPOFLDJ-HNNXBMFYSA-N 370.496 1.226 0 40 FDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 3344760 CUNISKAGCXSWLF-SFHVURJKSA-N 358.438 1.404 0 40 FDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1nc2nccc(C)n2n1 58215199 HUQDTVHPQUQLHJ-UHFFFAOYSA-N 373.800 1.902 0 40 FDAB Cc1c(OCC(=O)NCCCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2116969 PLHRIGXRIVDEPH-UHFFFAOYSA-N 359.378 1.950 0 40 FDAB biogenic CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 10374573 IAIDWCKIIQQYBL-UHFFFAOYSA-N 357.451 1.479 0 40 FDAB C[C@@H]1C[C@@H](OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C(=O)O1 12799396 SKBFQJHAIVOISR-MEBBXXQBSA-N 369.329 1.937 0 40 FDAB Cn1c(=O)n(CC(=O)NCCc2ccc3c(c2)OCO3)c2ccccc21 48300810 DUXRLQMMPHRQNW-UHFFFAOYSA-N 353.378 1.428 0 40 FDAB CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 11566118 UYQZNKFLLFQLNB-UHFFFAOYSA-N 356.444 1.337 0 40 FDAB CCOP(=O)(OCC)[C@@]1(CO)COCC2(COC(C)(C)OC2)N1 306145845 SEPAPVYDXKQHKO-AWEZNQCLSA-N 353.352 1.083 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1cccc(F)c1 18166052 WOZWBXINCJVZTD-JKSUJKDBSA-N 367.340 1.758 0 40 FDAB CC(C)CCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 13815782 KZLLABWWTTXZLK-UHFFFAOYSA-N 361.490 1.712 0 40 FDAB COC(=O)c1ccccc1NC(=O)[C@H](C)n1nnc2ccccc2c1=O 5270461 GLWLBFCANMFJRZ-NSHDSACASA-N 352.350 1.778 0 40 FDAB O=C(OCc1nc2ccsc2c(=O)[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 14093492 LUQLRNKRUCQMPP-SNVBAGLBSA-N 361.423 1.819 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1 65553775 POHZBLBFTFBFAO-TVQRCGJNSA-N 364.439 1.943 0 40 FDAB COc1cc(OC)cc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 7764322 IEHGCIWHIMJMHA-LJQANCHMSA-N 369.377 1.816 0 40 FDAB CCOC(=O)c1sc2ncn(C[C@@H](O)COC(C)C)c(=O)c2c1C 84795612 BNNYPUGIDGTKDX-LLVKDONJSA-N 354.428 1.729 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(=O)O 95970168 CULJVBIKMHZMDS-DOMZBBRYSA-N 370.471 1.945 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 95959131 NVXUXZQTZVEOSP-HIFRSBDPSA-N 352.456 1.483 0 40 FDAB C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccc(F)cc1Cl 75105799 ZDTQNZFJVDTIRI-SECBINFHSA-N 351.765 1.994 0 40 FDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cccc(OC)c3n2)NC1=O 22607743 ILKTVZWFPLUOPQ-JTQLQIEISA-N 357.370 1.024 0 40 FDAB Cc1ccc(C)c(N(CC(=O)N2CCCCC2)S(=O)(=O)N(C)C)c1 20244554 BYDZPXTUTJORGJ-UHFFFAOYSA-N 353.488 1.929 0 40 FDAB COc1ccccc1C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2C)cc1 67896928 NHBBFYGMOZNJLM-VQIMIIECSA-N 370.405 1.838 0 40 FDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1OC 25652478 AYBGNOZHZNOCTN-LBPRGKRZSA-N 365.407 1.822 0 40 FDAB CC(C)(C)c1csc(NC(=O)CCN2C(=O)c3nccnc3C2=O)n1 72402223 PXQKKOHLALJXNI-UHFFFAOYSA-N 359.411 1.855 0 40 FDAB CCOC(=O)C1(C(=O)OCC)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217998523 IWNZBBYDESTGED-LBPRGKRZSA-N 360.815 1.999 0 40 FDAB COc1ccc(CCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 71768183 MUXICSXRELGOLN-UHFFFAOYSA-N 373.497 1.960 0 40 FDAB Cc1nn(C)cc1CN1CCc2nc(N3CCC(C)CC3)[nH]c(=O)c2C1 72347468 PNMYLJOBPZQGTD-UHFFFAOYSA-N 356.474 1.606 0 40 FDAB CCn1nnc(C)c1C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 572333835 CBIISUNCSMMYNX-UHFFFAOYSA-N 371.470 1.882 0 40 FDAB CC(=O)NC1CCC(N2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)CC1 225495157 FSNSFTKQUPLYOM-ACBHZAAOSA-N 360.502 1.840 0 40 FDAB biogenic,in-vitro CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccco1)CCN(C(=O)C(C)C)C2 97952793 ZOYLZTFVXZGKNA-LJQANCHMSA-N 361.442 1.459 0 40 FDAB Cc1cnc(C(=O)N2CCc3c(CNc4ncccn4)n[nH]c3C2)cn1 96090959 DMGKHTVCHVWNFW-UHFFFAOYSA-N 350.386 1.109 0 40 FDAB CCNS(=O)(=O)c1ccc2c(c1)N(Cc1nc(C(=O)O)co1)CC2 582551749 NCWYJLMEZYEGAB-UHFFFAOYSA-N 351.384 1.234 0 40 FDAB COCC(=O)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244240 JBFWNYBMJOMWML-GOSISDBHSA-N 358.398 1.328 0 40 FDAB CN1CCN(C(=O)c2nn(C)c3c2CCN(Cc2ccccc2)C3)CC1 96187498 LURBTWLVDUIFCF-UHFFFAOYSA-N 353.470 1.366 0 40 FDAB Cc1ccc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)cc1 248051602 BEACZVFAJXPTBH-QGZVFWFLSA-N 373.478 1.853 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3csc4ccccc34)C2)CN1C 247721680 BINAUPUBUNIMHK-HNNXBMFYSA-N 373.478 1.101 0 40 FDAB CC(C)(C(=O)NC[C@]1(O)CCN(c2ncccn2)C1)c1ccc(F)cc1 257274746 NMLIIZCASXSBSA-LJQANCHMSA-N 358.417 1.651 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)CCn1ccnc1)CC[C@H]2O 257217366 CYQBZBQKMGRYGH-PXCRPINLSA-N 368.481 1.580 0 40 FDAB Cc1ncsc1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257233208 GOGDUGWWUYYDIU-MRXNPFEDSA-N 350.419 1.747 0 40 FDAB N[C@@H]1C[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257234486 GTSCWKCXKIMYAT-CGXNFDGLSA-N 371.456 1.856 0 40 FDAB O=S(=O)(C1CCCCC1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257325392 WSTHVZWQJFKZFS-ZDUSSCGKSA-N 355.460 1.336 0 40 FDAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)COCc2ccc(C)cc2)C1 1775960273 CJDOPWJNKMIOFU-IRXDYDNUSA-N 358.442 1.606 0 40 FDAB CO[C@]1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCSC1 96097632 AVBLFMBDAUUXEK-HNNXBMFYSA-N 358.485 1.189 0 40 FDAB O=C(O)Cc1csc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 606145709 UMBNKRIZYGHVLI-NSHDSACASA-N 366.443 1.637 0 40 FDAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc21 96120158 YKWXMBRSGREEPT-UHFFFAOYSA-N 364.427 1.147 0 40 FDAB CN1C[C@@H](COCc2ccncc2)CC12CN(C(=O)c1ccncc1)C2 585093784 FYJOKPCQKUQTDG-KRWDZBQOSA-N 352.438 1.840 0 40 FDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1cccn1C 585097376 KMMXGEJMJLSGPH-CYBMUJFWSA-N 352.398 1.808 0 40 FDAB Cn1nnc2c1[C@H](COCCN1CCCC1)CN(C(=O)C1(F)CCC1)C2 585110759 CDFUQSQZNOLDFO-AWEZNQCLSA-N 365.453 1.246 0 40 FDAB O=S(=O)(c1ccccn1)N1CCC2(CC1)CO[C@@H](CN1CCCC1)C2 585103771 JASGDGZNZIHRHU-MRXNPFEDSA-N 365.499 1.737 0 40 FDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2c[nH]c3ccc(OC)cc23)C1 585279014 RXUKRIVDSNIUBN-IBGZPJMESA-N 359.426 1.670 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)s1 48234897 IQRWYHIWKMGPMF-UHFFFAOYSA-N 368.436 1.487 0 40 FDAB CC(C)CN1CC(=O)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 56998216 ANPFDDAXPMKPNQ-GJZGRUSLSA-N 356.875 1.810 0 40 FDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 96025322 XNPFRAZFZWSCSF-NSHDSACASA-N 357.375 1.513 0 40 FDAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2cc(C)n(C)n2)[C@@H]1CO 1772594932 HVXOUVWZLMYKMF-JFIYKMOQSA-N 350.507 1.920 0 40 FDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccncc3)CC1)O2 12227025 IZBMIKDOWXRWJN-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)CCNC(=O)c1ccnc(N(C)C)c1 19496410 MDCZBESOUURCIE-ZDUSSCGKSA-N 354.476 1.082 0 40 FDAB CCN(CC)C(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19526214 GCISRJRLONQXPJ-UHFFFAOYSA-N 372.469 1.092 0 40 FDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 19706523 NKKZWAGMBZASAC-INIZCTEOSA-N 355.442 1.509 0 40 FDAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cn(CCN)nn2)CC1 662376819 SIIFEPPHBVIFEO-ZDUSSCGKSA-N 362.865 1.409 0 40 FDAB O=C(c1cccc(O)n1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850037 XYPYGEHPLVLOKL-OKILXGFUSA-N 351.410 1.663 0 40 FDAB Cc1nc(N2C[C@@H]3CN(c4ncc(Cl)cn4)C[C@H]3C2)nc(O)c1F 1888855755 FRLRQDAHADGBBZ-UWVGGRQHSA-N 350.785 1.646 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)NC5CCCC5)C[C@H]4C3)nn12 1888863527 LMKXFAMSEDZICX-OKILXGFUSA-N 355.446 1.453 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)NC(C)(C)C)C[C@H]4C3)nn12 1888870010 PZWUUUCIRWZJLQ-CHWSQXEVSA-N 357.462 1.563 0 40 FDAB Cn1ccc(CN2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1=O 1776008839 QCMCSRNTBNBACH-UHFFFAOYSA-N 362.437 1.560 0 40 FDAB O=C(c1cnccn1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985098 XUPYQMPYQYIERH-IBGZPJMESA-N 352.394 1.372 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226309 PCCLFTKVSWRINF-HKUYNNGSSA-N 356.426 1.086 0 40 FDAB CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)CCc3cncnc3)C2)C1 1565550311 YKMDMBQRNIGVOA-UHFFFAOYSA-N 362.430 1.258 0 40 FDAB CCOC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518914 GQFRCPFVWXDFIX-AWEZNQCLSA-N 351.380 1.474 0 40 FDAB CCCS(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 21682704 OQMPERDEJIDEBM-UHFFFAOYSA-N 369.487 1.730 0 40 FDAB Cn1cnnc1CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 2086881925 FDAPWVHREKPQIO-YPMHNXCESA-N 352.364 1.940 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1F 585148686 BIBUXTZYNXLXRD-UHFFFAOYSA-N 372.447 1.587 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828773 UEIDZMHBDQNMHV-LSDHHAIUSA-N 354.476 1.649 0 40 FDAB O=C(c1cc(Cl)c[nH]1)N1CCN(c2nnnn2-c2ccccc2)CC1 24777038 FPGBGINVIRQYPL-UHFFFAOYSA-N 357.805 1.606 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(Br)c1 100059885 FNUWEPYQFFFCTK-JUFZMCDQSA-N 350.168 1.254 0 40 FDAB O=C(NC1CCCCC1)N1CCN(C(=O)c2cnn3cccnc23)CC1 32796100 TWTVUABPUZHHCB-UHFFFAOYSA-N 356.430 1.529 0 40 FDAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@H]1CCS(=O)(=O)C1 32768589 KJLDEIBBEBIKSQ-QMMMGPOBSA-N 354.409 1.441 0 40 FDAB CCOC(=O)[C@@H]1CCCN(Cc2cc(=O)n3nc(CC)sc3n2)C1 32758258 KYAMZQLRZAYOOE-LLVKDONJSA-N 350.444 1.489 0 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O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 813852 HJYRWAXIJIWFGE-UHFFFAOYSA-N 358.847 1.597 0 40 FDAB COC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 22931806 QOKBRFAEENAXDB-CYBMUJFWSA-N 353.850 1.766 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccncc3)cc2N1 24434921 YXSITNLDBKVMMO-HNNXBMFYSA-N 359.407 1.938 0 40 FDAB Cc1ccc2ncn(C[C@H](O)COc3ccc4c(c3)OCO4)c(=O)c2c1 58160179 FXBYANTUWKKOIT-ZDUSSCGKSA-N 354.362 1.874 0 40 FDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(-c2ncon2)cc1 107247728 OTSVAZRMLNKGMQ-UHFFFAOYSA-N 368.397 1.518 0 40 FDAB Cn1cnc(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c1 179363228 JVYKEHXOCUSPEX-UHFFFAOYSA-N 367.453 1.157 0 40 FDAB CCCN(C(=O)[C@@H](NC(=O)c1ccco1)C(C)C)[C@H]1CCS(=O)(=O)C1 10025108 VLGYSMXWVDRWKU-ZFWWWQNUSA-N 370.471 1.460 0 40 FDAB CCCCn1c(N)c(N(CCC)C(=O)c2ccccc2OC)c(=O)[nH]c1=O 8762628 UJSIOWIRVILAMS-UHFFFAOYSA-N 374.441 1.984 0 40 FDAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 8706278 VEEHMKICKLBGSW-CABZTGNLSA-N 359.430 1.887 0 40 FDAB CCOC(=O)[C@H](CNC(=O)CNC(=O)c1ccoc1)Cc1ccccc1 58304637 JPLDIJPLKDQBHS-INIZCTEOSA-N 358.394 1.548 0 40 FDAB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC[C@H]1CCCO1 11592059 OQPDXIFNOOVOBA-VHSXEESVSA-N 353.473 1.496 0 40 FDAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H]1CCCO1 60369928 QCUOVCIRUIXJKC-ZFWWWQNUSA-N 369.487 1.375 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccc(F)cc1 4139841 FIDIXZQXMRBUAT-UHFFFAOYSA-N 364.340 1.755 0 40 FDAB CC(=O)Nc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 8734028 KXLYHIZPMRVCTO-KRWDZBQOSA-N 356.338 1.350 0 40 FDAB Cc1cc(C)n(CCOC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 65541887 CUVIZEJQZCEJPQ-UHFFFAOYSA-N 363.439 1.897 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1ccccc1F 24034510 GNUQYFAFCWWTGQ-INIZCTEOSA-N 355.369 1.605 0 40 FDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6719194 BYQNBLHTRQXNBC-NEPJUHHUSA-N 368.436 1.079 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)c1cccc(F)c1 5861571 IIJVRHYGKLWOKI-STQMWFEESA-N 350.390 1.888 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)Sc3ccccc32)C1=O 5878499 VGNOCRIYTKBRED-LLVKDONJSA-N 361.423 1.715 0 40 FDAB CC[C@@H]1CCCCN1C(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9157771 JAUFSFYGAOSSEM-DZGCQCFKSA-N 365.499 1.876 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7843688 DVTVOEGWDALHDU-UHFFFAOYSA-N 366.468 1.647 0 40 FDAB COCCNC(=O)CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 71880683 OOKXTLCAGKKBMC-UHFFFAOYSA-N 358.442 1.797 0 40 FDAB COc1ccccc1CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 83980308 ZRCYCQRYDYLSRE-UHFFFAOYSA-N 373.413 1.072 0 40 FDAB NC(=O)CCCCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 95983671 NGACXARDGSVDQX-UHFFFAOYSA-N 364.405 1.771 0 40 FDAB Cn1cc([C@@H]2NC(=O)CC[C@@H]2NC(=O)Cc2c(F)cccc2Cl)cn1 75105278 FRHUBOZDNPWTKP-YOEHRIQHSA-N 364.808 1.891 0 40 FDAB CC[C@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 408713295 RTRUWPYFFPBMJK-ZDUSSCGKSA-N 367.471 1.002 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(c2cc(C)nc4ncnn24)C3)n1 306132182 LBBHRYOOZIBPHW-AWEZNQCLSA-N 367.413 1.348 0 40 FDAB CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 36379420 CSIGUMNRARWDJC-UHFFFAOYSA-N 365.430 1.918 0 40 FDAB CCOC(=O)c1c(C(F)(F)F)nc2n1CCN(C(=O)c1cc[nH]n1)C2 72347140 ZKGVQANDNJPOHZ-UHFFFAOYSA-N 357.292 1.458 0 40 FDAB COc1ccc(OCCN(C)C(=O)[C@H]2CN(c3ncccn3)CCO2)cc1 72344557 LPMJXTAXGNHQCI-QGZVFWFLSA-N 372.425 1.228 0 40 FDAB COCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217603238 KFWPRXDIPCVIRT-NSHDSACASA-N 360.432 1.146 0 40 FDAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NCc2ccccc2)c1 217472290 BQLZJKDYNMMQEG-UHFFFAOYSA-N 364.423 1.658 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218096007 ATYDAPZGAJGXBD-JZXOWHBKSA-N 361.419 1.665 0 40 FDAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)COC)CC3)cc2NC1=O 72339693 HFQRRYMZDUKPAG-OAHLLOKOSA-N 360.410 1.864 0 40 FDAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)Nc2ccccc2)c1 217504241 RQQFQDHTJBOGHD-UHFFFAOYSA-N 350.396 1.980 0 40 FDAB COc1cc2c(cc1OC)CN(Cc1ccnc(N3CCOCC3)n1)CC2 72348185 UWDOLFOXBUVDBJ-UHFFFAOYSA-N 370.453 1.889 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1 224743486 UVWCNHMOUQEURJ-UHFFFAOYSA-N 365.480 1.740 0 40 FDAB Cn1nc2c(c1NC(=O)C[C@@H]1NC(=O)c3ccccc3NC1=O)CSC2 85876733 LODGUILMWLDZHG-LBPRGKRZSA-N 371.422 1.246 0 40 FDAB biogenic CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C1 514289148 IQQCIULOYOMPQE-ZWKOTPCHSA-N 361.461 1.314 0 40 FDAB biogenic,in-vitro Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)C[C@H]3CCCCC(=O)N3)n2)c1 332709736 ZCIPBUDHDKPWQG-CHWSQXEVSA-N 356.430 1.801 0 40 FDAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(C(=O)NC(C)C)CC2 96260353 MSIHDEYIVJXRLR-UHFFFAOYSA-N 361.490 1.804 0 40 FDAB CC(=O)N1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)CC[C@H]1C(F)(F)F 583620094 XUGAZEXUPDDOAE-AAEUAGOBSA-N 358.364 1.891 0 40 FDAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N3CCCC3)CN(C(C)=O)C[C@@H]21 96143818 XHEFAJQYAFYBOQ-FXAWDEMLSA-N 361.486 1.496 0 40 FDAB Cc1nccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 331777275 GNVOYDAHBDQAQC-AWEZNQCLSA-N 360.439 1.824 0 40 FDAB COc1cc(N2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)ncn1 247923110 YPAOPSJEEMXSFE-CQSZACIVSA-N 357.414 1.730 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C2CCNCC2)CC1 257231944 GIUPTAVVBZZZGL-NRFANRHFSA-N 374.529 1.647 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cncs1 257272862 NEDUCTAIEXEDHW-MRXNPFEDSA-N 350.419 1.781 0 40 FDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257282820 OVKWEKLSAYJTSF-AWEZNQCLSA-N 350.448 1.427 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257315256 VANYWZMTLSPGNM-QGZVFWFLSA-N 356.430 1.371 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257211071 BXKOFHAPFOKPEK-LLLHUVSDSA-N 352.504 1.754 0 40 FDAB Cc1cccnc1[C@@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C 265189219 OEHXWFZDVVVKEM-GJZGRUSLSA-N 368.503 1.810 0 40 FDAB O=C(CN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)N(Cc1ccccc1)C1CC1 643962657 AORWOGLTXMVZOO-AQNXPRMDSA-N 357.498 1.755 0 40 FDAB Cc1c(C(=O)N2CCN(CCO)C[C@@H]2C)cnn1-c1ccc(F)cc1F 654551876 ZCSNOIZOLPVRFA-LBPRGKRZSA-N 364.396 1.598 0 40 FDAB CCOC(=O)[C@H](CSC(=O)c1ccc(CO[N+](=O)[O-])cc1)NC(C)=O 68605229 GTWMBKYYDRJWEY-ZDUSSCGKSA-N 370.383 1.336 0 40 FDAB biogenic CN1C[C@@H](COCc2ccccn2)CC12CN(C(=O)CC1(O)CCC1)C2 585093976 VQKGKYLWPKPKEF-INIZCTEOSA-N 359.470 1.436 0 40 FDAB CCOCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C 585098687 XDMNAFVUYKBBME-AWEZNQCLSA-N 371.441 1.077 0 40 FDAB Cc1snnc1C(=O)N1CC[C@@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 585106948 LUZBKNNBBROUIG-KDOFPFPSSA-N 356.451 1.935 0 40 FDAB CC(=O)NCCCC(=O)N1CCC[C@@]2(CCN2Cc2cnc(C)s2)C1 585101905 KWIKCWQXLQPLRN-GOSISDBHSA-N 364.515 1.935 0 40 FDAB CN1CCN(c2ncnc3c2CCN(C(=O)c2ccnc(F)c2)CC3)CC1 585110502 PKHJESWTQQVTFH-UHFFFAOYSA-N 370.432 1.004 0 40 FDAB Cc1ccc(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)cc1S(C)(=O)=O 55794373 XWWPSQZVHOVYEN-KRWDZBQOSA-N 374.462 1.958 0 40 FDAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(Cl)c(F)c2)nn1 1549159251 VLHHWCOELFNJTM-ARFHVFGLSA-N 370.812 1.135 0 40 FDAB CNC(=O)OCc1nc(S[C@H]2CCCCO2)n(C)c1COC(=O)NC 13215966 PQKMQJDWCHBYHJ-LBPRGKRZSA-N 372.447 1.751 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCCO3)ncc2C1 19018474 MDRHMJYRHMDLAA-IRXDYDNUSA-N 358.442 1.614 0 40 FDAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CCN(c2nccs2)CC1 19583294 HDDYODIAJFRCRH-UHFFFAOYSA-N 355.489 1.740 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)s1 19745430 FTJLYSAUSWDJNL-OAHLLOKOSA-N 364.515 1.824 0 40 FDAB Cc1cc(CN(C)C(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)n[nH]1 19749433 WBDZDPRTBHIURW-UHFFFAOYSA-N 370.388 1.965 0 40 FDAB CN(CC1CN(c2cc(C(F)(F)F)ncn2)C1)S(=O)(=O)C1CC1 1888849393 HNRKLCPIVQJTHT-UHFFFAOYSA-N 350.366 1.356 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC[C@H]5CCCO5)C[C@H]4C3)n1)CCC2 1888876511 SCSQEISGBGBAMG-OWCLPIDISA-N 371.485 1.530 0 40 FDAB Cc1ncc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037985131 YNVXKIRGIYHQSL-HXUWFJFHSA-N 366.421 1.681 0 40 FDAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)CCc1ccc[nH]1)CC2 1565554827 GOWLMCBXVDXUDS-UHFFFAOYSA-N 357.458 1.387 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)c4cc[nH]c4)CC[C@@H]3C2)nc1 1565554719 XZXNTSYISOTPGE-IAGOWNOFSA-N 355.442 1.735 0 40 FDAB O=C(CC1(O)CCC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565543894 ADMAVMDNEYQPNG-UHFFFAOYSA-N 365.499 1.642 0 40 FDAB CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 4061398 BFTMOODJHZARLQ-UHFFFAOYSA-N 373.438 1.745 0 40 FDAB aggregator CN(C)S(=O)(=O)c1ccc(C(=O)NCCOCC(F)(F)F)cc1 4779437 WCBQHUFWDRUXHD-UHFFFAOYSA-N 354.350 1.246 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccccc3)ccc2c1=O 6732961 GQIYVRYOQVIWLL-UHFFFAOYSA-N 367.405 1.309 0 40 FDAB COc1ccnc(N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)n1 1775974812 RFDQRGWIKYUEMS-UHFFFAOYSA-N 353.357 1.909 0 40 FDAB O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(=O)oc1 36662293 FFAOUPRABKGGOD-UHFFFAOYSA-N 354.318 1.996 0 40 FDAB COc1cccc(CN2CC[C@@H](c3nn(CCN)c4nccnc34)C2)c1 19564736 HFFOXCDTMBBQSS-OAHLLOKOSA-N 352.442 1.783 0 40 FDAB Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2cc(F)ccc2C)n1 38670732 RGZXGMMOHWIXAO-UHFFFAOYSA-N 367.450 1.689 0 40 FDAB Cc1cc(NC(=O)CCN2CCN(Cc3cn4ccccc4n3)CC2)no1 40033476 VSDRYJSAEASWQB-UHFFFAOYSA-N 368.441 1.777 0 40 FDAB COc1ccc(OC)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 31276288 BDLDFLWKIWSSFL-CQSZACIVSA-N 358.394 1.962 0 40 FDAB CCCCn1nnnc1CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 21625225 AHAQEYJQIVPSTP-SNVBAGLBSA-N 372.476 1.126 0 40 FDAB Cc1c(F)cc(C(N)=O)cc1NC(=O)Cn1ncc2ccccc2c1=O 32935192 YHWUKYKNDARCCT-UHFFFAOYSA-N 354.341 1.582 0 40 FDAB O=C(NCCc1ccccc1F)c1ccc(S(=O)(=O)NC2CC2)o1 32914184 IJVAKGMKVCSJST-UHFFFAOYSA-N 352.387 1.832 0 40 FDAB CN(C)[C@@H](CNC(=O)N1CCC(CN2CCOCC2)CC1)c1ccco1 79193219 ALALKKBSXJPATA-KRWDZBQOSA-N 364.490 1.636 0 40 FDAB CC(C)Oc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093785 GHCMMBAHVMTGNP-SFFUCWETSA-N 368.426 1.589 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccnn1Cc1cccs1 102911627 HVZJTKSHEMHHGL-OKILXGFUSA-N 370.434 1.883 0 40 FDAB COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 6625031 UQYCHIONXDUAEB-UHFFFAOYSA-N 363.439 1.947 0 40 FDAB O=C(NCC(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1)c1ccccc1 12388907 AIRXCBYMKZCYSQ-MRXNPFEDSA-N 369.421 1.564 0 40 FDAB CCn1c(=O)n(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 10269000 NPACFHMAERITCU-QGZVFWFLSA-N 352.394 1.166 0 40 FDAB CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccc(F)cc2)n(C)c1=O 10329012 JYXBKXPQWLYEIQ-UHFFFAOYSA-N 370.388 1.452 0 40 FDAB O=S(=O)(C[C@@H]1CCCOC1)NCc1ccnc(OCC(F)(F)F)c1 97104211 BYTFMELZZXIXRQ-GFCCVEGCSA-N 368.377 1.869 0 40 FDAB CCOc1ccc(-n2ccn(CC(=O)NCc3ccco3)c(=O)c2=O)cc1 22723751 UTESCROFWVDLFZ-UHFFFAOYSA-N 369.377 1.307 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 22935121 PIMOQGSVGWTXSG-KRWDZBQOSA-N 358.486 1.562 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2CCN(CC(F)(F)F)CC2)cc1 23254021 IMUALJXGXHALTB-UHFFFAOYSA-N 358.364 1.165 0 40 FDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NN4CCN(C)CC4)ccc1c23 956876 MBKRAPJVCXBYGP-UHFFFAOYSA-N 374.466 1.261 0 40 FDAB O=C(CC[C@H]1CCCO1)N1CCN(c2nnnn2-c2ccccc2)CC1 24780215 IHBJOTJYVFCFHM-MRXNPFEDSA-N 356.430 1.270 0 40 FDAB O=C(CN1CCN(Cc2cscn2)CC1)NCCc1cccs1 58244815 ZZFVJHDATGAPBB-UHFFFAOYSA-N 350.513 1.681 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cnccn1 24986020 LVGAMTVSZJUGAY-UHFFFAOYSA-N 360.439 1.581 0 40 FDAB NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2Cc3ccccc3O2)cc1 25263538 PNUCSKOFKIMABR-MRXNPFEDSA-N 363.391 1.260 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 57739647 ZNBOSXAJHREEEF-UHFFFAOYSA-N 366.462 1.004 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)Nc1ccc(-n2cncn2)nc1 48132372 CEGDCYYVCSBSQS-UHFFFAOYSA-N 361.369 1.565 0 40 FDAB COc1cccc(C[C@@H](C(=O)NCC(C)(C)CN(C)C)n2nnnc2C)c1 48291070 ZXKSJSSFTPUWFC-KRWDZBQOSA-N 374.489 1.478 0 40 FDAB Cc1ccccc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 10862233 ZWMXRPAPEIFWDW-UHFFFAOYSA-N 373.409 1.133 0 40 FDAB Cn1c(SCc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccc(F)cc1 11382654 BERZOAHFBMREBF-UHFFFAOYSA-N 361.402 1.311 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CSc2ccccc2C(=O)O)c1 12978342 JWNCCFKSBLFGLZ-UHFFFAOYSA-N 366.420 1.763 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1nnc2n1CCC2 13252447 GPYSHXGSWXFMQH-UHFFFAOYSA-N 350.400 1.052 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ncccn3n2)CC1 8753484 SIJXBUSIBMLBNG-LLVKDONJSA-N 363.443 1.407 0 40 FDAB CCCCNC(=S)NCCN1CCN(C(=S)NCCCC)CC1 13684934 MFUXKQKSHIXHKZ-UHFFFAOYSA-N 359.609 1.543 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495954 VMRRYQVKZPTZML-GFCCVEGCSA-N 357.341 1.454 0 40 FDAB COc1ccc([C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)N(C)C)cc1 14139569 ZHHAHASHZAJNAC-KRWDZBQOSA-N 366.421 1.964 0 40 FDAB O=C(NCCN1CCCC1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4699133 IGWWDXGAECSOFJ-GOSISDBHSA-N 371.412 1.623 0 40 FDAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2ccccc2)CC1 6662524 VYPQHCUSONIBQU-UHFFFAOYSA-N 350.378 1.179 0 40 FDAB Cc1nnnn1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 71284888 VJYPCBKUTYFMSI-UHFFFAOYSA-N 372.429 1.664 0 40 FDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)CN1CCN1CCOCC1 69141054 MZGKCYMVCJJLAA-MOPGFXCFSA-N 371.481 1.531 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 69621311 LFQIQBGPQOCWFO-JDNHERCYSA-N 367.858 1.910 0 40 FDAB CC(C)[C@H](CNC(=O)c1cccc(-n2cncn2)c1)N1CCN(C)CC1 72286027 GKHGECDDJVUIPN-SFHVURJKSA-N 356.474 1.269 0 40 FDAB C[C@H](OC(=O)CN1CCS(=O)(=O)CC1)c1nc2ccccc2s1 95953886 AHETYSOGAXWURX-NSHDSACASA-N 354.453 1.631 0 40 FDAB CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 95960996 UZHRWOUSQXYNOR-DGCLKSJQSA-N 353.444 1.358 0 40 FDAB NC(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@H](c2ccccc2)C1 95953994 RMYRCGYWMWXGGS-KRWDZBQOSA-N 367.405 1.253 0 40 FDAB Nc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(Cl)c1 95944692 DJPUKEYDRRTMTD-UHFFFAOYSA-N 367.814 1.732 0 40 FDAB CC(C)(O)[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89761635 IOTGYTHAMSJIMY-AWEZNQCLSA-N 361.485 1.233 0 40 FDAB COCC[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21 306137730 REKLLHSNIVXEMZ-CQSZACIVSA-N 353.448 1.016 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccccn3)CCOCC2)o1 1547138362 JIHKLRSQUCNOEV-UHFFFAOYSA-N 372.421 1.846 0 40 FDAB biogenic COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306140743 VCVZPPFHNNWOCH-UZLBHIALSA-N 374.485 1.665 0 40 FDAB O=C(Cn1c(O)nc2ccccc2c1=O)Nc1nc(-c2cccs2)n[nH]1 524733633 XQEANYZVZLVFGR-UHFFFAOYSA-N 368.378 1.587 0 40 FDAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccn4)C[C@H]32)c(OC)n1 72392595 WQSBJJZBUNQBKG-URKNILKWSA-N 356.426 1.618 0 40 FDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1 72394720 ZKDGKJDMLMKKAY-RTBURBONSA-N 353.466 1.908 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 38679374 VMMGFPRGGMRNPB-UHFFFAOYSA-N 370.409 1.544 0 40 FDAB Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccccc3)n2)cn1 36611621 FWUIWPKLOUQMFW-UHFFFAOYSA-N 368.422 1.921 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)Nc1ccc2[nH]ccc2c1 71284466 UAYXKLDUVHAVFB-UHFFFAOYSA-N 369.450 1.917 0 40 FDAB Cc1nc(C(=O)NCC(=O)NCC(F)(F)F)nn1-c1ccc(F)cc1 47179471 LBGYEFSXJPQKRV-UHFFFAOYSA-N 359.283 1.123 0 40 FDAB COCCNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(N)c1 225441276 PAECCFDOFNPLPR-UHFFFAOYSA-N 354.454 1.972 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048998 GJQUBUUFCMPCTD-UHFFFAOYSA-N 365.499 1.763 0 40 FDAB Fc1cnc(N2CCO[C@@]3(COCCN(Cc4cccnc4)C3)C2)nc1 96229426 CKVSGDXHJYWXHV-GOSISDBHSA-N 359.405 1.119 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccccn1 96231297 WFRMHJALEIUULH-KRWDZBQOSA-N 366.421 1.641 0 40 FDAB COc1cc2nc(C)n(CC(=O)Nc3cnn(C)c3)c(=O)c2cc1OC 96118712 VFXKSZLTOGSFOK-UHFFFAOYSA-N 357.370 1.094 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(OC)ccc1Cl)C2 247912132 YLYQTSUABKPYHK-NSHDSACASA-N 373.858 1.624 0 40 FDAB O=C(c1ccccc1F)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 247799000 DWXAVHPHWIFRMN-AWEZNQCLSA-N 367.442 1.882 0 40 FDAB CN(C)Cc1cnn2c(C3CCN(Cc4cncn4C)CC3)ccnc12 257308246 TVZUZTVGGFWVCL-UHFFFAOYSA-N 353.474 1.904 0 40 FDAB CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(F)c(OC)cc1OC 585084759 WRSLLDMGNYFKGU-GFCCVEGCSA-N 360.451 1.948 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)nc(N2CCOCC2)n1 257293112 QOEAMVUCWIEHNC-PXNSSMCTSA-N 373.501 1.711 0 40 FDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)NC1CCCCC1 257279603 OHIMSOSXVRZGNA-LJQANCHMSA-N 372.513 1.368 0 40 FDAB CCCC[C@H](COC)NC(=O)N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 605983500 IXAIZCFZRBULMM-OWCLPIDISA-N 357.495 1.764 0 40 FDAB CC(C)[C@@H](C(=O)NCc1nc(C(N)=O)co1)N1Cc2ccccc2C1=O 617487357 XYMGEYACXWEICI-HNNXBMFYSA-N 356.382 1.070 0 40 FDAB Cc1nc2c(F)cccc2cc1C(=O)N1CCC[C@H]1CS(N)(=O)=O 651327460 CKSDBXNUPBDYHI-LBPRGKRZSA-N 351.403 1.575 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C)n1 656857354 ASLWRNYIMOQQLQ-YVEFUNNKSA-N 356.430 1.264 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 575421514 QWXWPMXCUNTLPM-AWEZNQCLSA-N 360.501 1.464 0 40 FDAB CCOCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@@H]2C 585096847 DRBNBMVIHNZUOX-LLVKDONJSA-N 354.407 1.719 0 40 FDAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NC1CC(F)(F)C1 585095725 GAQWQWUBMBUPIT-CQSZACIVSA-N 352.385 1.871 0 40 FDAB COCCOCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111191 ILBJQLOJWPDLHG-QGZVFWFLSA-N 359.426 1.324 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102588 BBCMQZZDUMLVRS-BEFAXECRSA-N 361.442 1.783 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 585102399 GUPRNKZVFLHSKG-MJGOQNOKSA-N 374.416 1.437 0 40 FDAB Cc1ccc(=O)n([C@H](C)C(=O)N2CCN(CCc3ccccc3)CC2)n1 44395459 UEJRLFAPVVMCIH-QGZVFWFLSA-N 354.454 1.500 0 40 FDAB CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnn(C)c1 53670495 MXDDYDPEYAZNFI-UHFFFAOYSA-N 371.846 1.828 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1 12088100 LJLKTTWYCHTRGZ-UHFFFAOYSA-N 363.421 1.967 0 40 FDAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cccc3nccnc13)C2 12184545 ZVDRUXDQQZDTKM-UHFFFAOYSA-N 362.437 1.872 0 40 FDAB CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12391023 NHJQAUVTGWYNLB-UHFFFAOYSA-N 352.416 1.102 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 17076215 QEMDEGFSODTGJP-DOTOQJQBSA-N 372.421 1.796 0 40 FDAB C[C@@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)NC1=O 19460262 QCZSJHKFADFZFD-SFHVURJKSA-N 363.389 1.574 0 40 FDAB CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19523580 NHSGKNQKPKXFEJ-GJZGRUSLSA-N 368.485 1.533 0 40 FDAB CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4ncc[nH]4)C3)cc2n1 19585656 SPKURNQWKRZPFY-LLVKDONJSA-N 367.413 1.127 0 40 FDAB Cn1cnc(C(=O)N2C[C@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)c1 1888855779 ITBZSUVALMOGAG-ZIAGYGMSSA-N 354.458 1.716 0 40 FDAB CCn1cc(C(=O)N[C@@H](Cn2nccn2)C(C)C)c(=O)c2ccc(C)nc21 238814901 BFFFDSLRVXATKF-INIZCTEOSA-N 368.441 1.771 0 40 FDAB CC(=O)N[C@H]1CC2(CCN(Cc3csc(C)n3)CC2)OC[C@]1(C)O 2037849814 NZUGHAKKSQVJCP-HOTGVXAUSA-N 353.488 1.462 0 40 FDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1ncnc(C)c1C)CC2 1147068091 ZTCSFPGIFHGBML-MRXNPFEDSA-N 374.485 1.831 0 40 FDAB O=C(c1cc(F)ncc1F)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 1565554895 JNDIBZFSWOHEEY-MPKXVKKWSA-N 351.353 1.212 0 40 FDAB Cc1ccc(-c2nc(SCCO)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4341326 MCJBSSTYOJCRLC-UHFFFAOYSA-N 358.423 1.087 0 40 FDAB O=C(COc1ccccc1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 16847347 VODADEINRXBOKS-GOSISDBHSA-N 354.406 1.782 0 40 FDAB Cn1cnnc1SCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 38677148 BXIUIENRUPLWLV-UHFFFAOYSA-N 372.410 1.456 0 40 FDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CSCCC(=O)N3)nc21 77101337 RMKHIFVTDWVOSB-IUCAKERBSA-N 369.468 1.296 0 40 FDAB CCOc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)O[C@@H](C)C2 10467959 LDITTXGHZBVNSN-JTQLQIEISA-N 373.409 1.665 0 40 FDAB Cc1ccc2c(ccn2CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c1 40309356 GHLWJNHGCQQIEP-CQSZACIVSA-N 360.414 1.358 0 40 FDAB biogenic CN(Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 31284485 IODYNCUBIBWHAG-OAHLLOKOSA-N 355.394 1.386 0 40 FDAB Cn1c(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc21 100691023 LHALDEDLHSCKDI-OKILXGFUSA-N 366.421 1.531 0 40 FDAB CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755060 OOZPATWMSRBKJQ-UHFFFAOYSA-N 360.501 1.940 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@@H](C)O1 32721677 LXMZSEFUVBQYMT-ZWUHOBOKSA-N 361.394 1.336 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N(C)C 12196928 DLTVQFCHZYCAPR-CYBMUJFWSA-N 367.427 1.601 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCCc2cccs2)s1 21911732 HGYILJFWRACDLP-UHFFFAOYSA-N 358.510 1.874 0 40 FDAB COc1cccc(OCCNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 103072961 MJQCNWVZCOHAIC-IYBDPMFKSA-N 360.410 1.365 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 52410651 RHCTWQMSQSBISG-UHFFFAOYSA-N 366.487 1.641 0 40 FDAB CSc1ncc(C(=O)OCC(=O)N2CCNC2=O)n1-c1ccccc1 12531351 VJMFYRDOOHPBDE-UHFFFAOYSA-N 360.395 1.303 0 40 FDAB CCS(=O)(=O)Nc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1 55179828 KCHQVHNALYCLPT-LBPRGKRZSA-N 373.525 1.791 0 40 FDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)Cc1nc2ncccn2n1 58225309 TWCZKDJSVRQVLG-UHFFFAOYSA-N 373.800 1.522 0 40 FDAB CN1CCc2nc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)sc2C1 24152524 XQEGLGTWMNHWKI-UHFFFAOYSA-N 369.450 1.559 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(Cl)cc1Cl 25033360 URYICTDKELAHBO-GFCCVEGCSA-N 359.209 1.426 0 40 FDAB CC(C)CNC(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 35334087 XKUVXSPAHXDYCP-UHFFFAOYSA-N 356.470 1.627 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 57398821 LBGOVGCRRPBLFC-OAHLLOKOSA-N 368.503 1.218 0 40 FDAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 44215737 LTVGLGPVILZSCI-UHFFFAOYSA-N 370.453 1.093 0 40 FDAB CS(=O)(=O)c1cccc(OCC(=O)NCCc2cccc(F)c2)c1 48270980 HEJHKFFBWAQVGQ-UHFFFAOYSA-N 351.399 1.967 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)CCS(=O)(=O)C3CCCC3)ccc21 58197869 ZLMBWCHSVZLFCS-UHFFFAOYSA-N 365.455 1.563 0 40 FDAB Cc1c(/C=c2/sc3n(c2=O)[C@H]2C[C@](C)(N=3)Oc3ccccc32)cnn1C 102613248 QQZNDXLBEXIGRZ-QFGGVYDASA-N 366.446 1.502 0 40 FDAB COC(=O)c1ccc(N2CCN(Cc3nnnn3C3CC3)[C@@H](C)C2)cc1 58218504 WXTHLVIXDKTCGI-ZDUSSCGKSA-N 356.430 1.505 0 40 FDAB CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 58344249 DNACNSGORGIIFP-UHFFFAOYSA-N 359.470 1.581 0 40 FDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)C(=O)c1ccc2c(c1)CCC2 58415298 RGTMMUNRZPEDDD-KRWDZBQOSA-N 350.422 1.933 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 23019339 ZXTIZPADGUXQNK-UHFFFAOYSA-N 358.383 1.286 0 40 FDAB COc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1Cl 10660068 HBYLMKNVJSBKLV-UHFFFAOYSA-N 365.802 1.791 0 40 FDAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c2c(C)noc2n1 11207709 SQSUECWJDOFWBD-UHFFFAOYSA-N 366.424 1.479 0 40 FDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(F)c(F)c1 3434834 BVQXAJOTNGNLFV-UHFFFAOYSA-N 374.299 1.743 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3431832 RNJVYLLTXIPVBI-UHFFFAOYSA-N 359.382 1.676 0 40 FDAB COc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)O)cc1OC 13027950 AKGMIAYGLAWHLX-UHFFFAOYSA-N 369.399 1.553 0 40 FDAB O=C(COC(=O)c1ccc2ccccc2c1O)N[C@H]1CCS(=O)(=O)C1 5039322 WRYPUZIONXEDAQ-LBPRGKRZSA-N 363.391 1.006 0 40 FDAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)cn1 39538328 VQVNIZODTJNPKX-UHFFFAOYSA-N 355.441 1.089 0 40 FDAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 14071401 XXDVAPRHXPOZOE-GFCCVEGCSA-N 362.407 1.826 0 40 FDAB Cn1c(-c2ccncc2)nn(CN2CCN(c3cnccn3)CC2)c1=S 14197207 KPDRFEGEDJPSNO-UHFFFAOYSA-N 368.470 1.583 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 306133774 MVQZGKGQCJLEDG-CYBMUJFWSA-N 358.435 1.819 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204824 IOQYVKIBYATHBF-OAHLLOKOSA-N 365.430 1.656 0 40 FDAB C[C@@H](c1ccccc1)N(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 15523743 OGNOLEZWJKOMFO-AWEZNQCLSA-N 358.442 1.965 0 40 FDAB O=C(Nn1cnnc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7701528 IZXRETBPOYHESP-UHFFFAOYSA-N 369.834 1.103 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71288481 OMMBCPHGGGQIFV-QWHCGFSZSA-N 370.427 1.241 0 40 FDAB O=C(CNC(=O)C(=O)NCc1ccccc1)Nc1ccc2c(c1)CCC2 8188394 FOWLXLYVKDFPTB-UHFFFAOYSA-N 351.406 1.546 0 40 FDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 9134120 QZQADYMMZPFRPE-QGZVFWFLSA-N 372.469 1.201 0 40 FDAB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc3c(c1)CCO3)CCO2 306137784 RGIMTTFJUAPNAX-PZJWPPBQSA-N 374.481 1.898 0 40 FDAB CN(Cc1nc(C(F)(F)F)no1)C(=O)Cn1c(=O)cnc2ccccc21 95448367 IMDJXTVLZDVICM-UHFFFAOYSA-N 367.287 1.457 0 40 FDAB Cc1c(NC(=O)N[C@@H]2CCc3ncnn3C2)c(=O)n(-c2ccccc2)n1C 97002458 KANZCMUIJFWAMF-CYBMUJFWSA-N 367.413 1.212 0 40 FDAB C[C@H]1CCN(C(=O)C(C)(C)CCC(=O)N2CC[C@@H](C)[C@H](O)C2)C[C@H]1O 89419325 MGDPADAEIWZPLV-QKPAOTATSA-N 354.491 1.251 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1OC 408585862 KDCPWDQGNMKMAT-LLVKDONJSA-N 358.416 1.721 0 40 FDAB COc1ccc([C@@H](CC(=O)N[C@@H](C)C(N)=O)c2oc(C)cc(=O)c2O)cc1 1547139149 ISONGPNENJUCIJ-SMDDNHRTSA-N 374.393 1.174 0 40 FDAB biogenic COC(=O)C(=Cc1cc(Cl)c(OCC(=O)O)c(OC)c1)C(=O)OC 409053452 CTMPLLZIEPHSMZ-UHFFFAOYSA-N 358.730 1.541 0 40 FDAB CCN(CC(=O)NCCOC)S(=O)(=O)c1cc(Cl)ccc1Cl 39985408 NAXSNWJXWBEDIE-UHFFFAOYSA-N 369.270 1.767 0 40 FDAB C[C@@H](NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ncsc2c1 512076848 BWOHYKLXKWNVED-MPKXVKKWSA-N 372.450 1.211 0 40 FDAB COCc1nnc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)s1 524734542 PSROYTPICDKJQY-VIFPVBQESA-N 351.417 1.351 0 40 FDAB CC(=O)N1CCn2c(nnc2[C@H]2CCCN2CC(=O)NC2CCCCC2)C1 72372849 DRVCDDROAGWNCN-MRXNPFEDSA-N 374.489 1.226 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1F 30291294 CHUJPHKOWZCFQO-LLVKDONJSA-N 353.371 1.953 0 40 FDAB Cn1nccc1/C=c1\sc2n(c1=O)[C@H]1C[C@@](C)(N=2)Oc2ccccc21 71785079 ZSFIWBDBJOVWJB-VLEIINIZSA-N 352.419 1.193 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c(N2CCOCC2)n1 49411099 JBLLEFWFRBBRTK-UHFFFAOYSA-N 364.352 1.305 0 40 FDAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1N1C(=O)CCC1=O 225731176 UIPBMNQHLGAFFH-UHFFFAOYSA-N 366.439 1.960 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)NC1CCC2(CC1)OCCO2 46190582 PWGCXXNMPZYYQT-UHFFFAOYSA-N 371.231 1.413 0 40 FDAB COc1ccc(OCc2cn(CC(=O)NCCc3ccco3)nn2)cc1 227168140 GMJADZXDPCCQAZ-UHFFFAOYSA-N 356.382 1.818 0 40 FDAB CN1CC[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 225957268 ZYGCKGMYSGASFW-BDJLRTHQSA-N 368.480 1.543 0 40 FDAB O=C(c1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224316934 QVKQTVMFSXLAGC-UHFFFAOYSA-N 353.426 1.276 0 40 FDAB Cc1c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cnn1-c1ccccc1 44227345 XKBRWPKQIKKGDY-UHFFFAOYSA-N 374.466 1.431 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccncc2)s1 224920900 OSDCFKIYBPGZRC-UHFFFAOYSA-N 355.445 1.396 0 40 FDAB O=C(COCc1nc(-c2cccnc2)no1)N[C@@H](CO)Cc1ccccc1 96182076 DOGWUYMPEUVZHT-MRXNPFEDSA-N 368.393 1.368 0 40 FDAB Cn1ccnc1CN1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96158215 LSXMZTFFDNSHNG-HXUWFJFHSA-N 353.470 1.872 0 40 FDAB CN(C)[C@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2C)C1 96147574 RKIXEOBZKCZZHN-KRWDZBQOSA-N 368.485 1.858 0 40 FDAB O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 583623230 ZGOGDRMEGOPMPT-MJBXVCDLSA-N 371.459 1.656 0 40 FDAB Cn1cc([C@H]2CCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C2)cn1 604776993 UOSSCOYQTNLNQF-AWEZNQCLSA-N 371.441 1.817 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)CCCn2cccn2)CC[C@@H]1O 257233393 GPCMHMFHJKVHDQ-WMZOPIPTSA-N 358.442 1.798 0 40 FDAB Cn1nc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cc1C(F)(F)F 257254573 KDSHYASYRGDOFI-VIFPVBQESA-N 355.320 1.954 0 40 FDAB CCn1ccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCC3)CC2)n1 257311724 UKTNDSQAOFJXAA-UHFFFAOYSA-N 370.457 1.882 0 40 FDAB CN(c1cccnn1)C1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 264268026 ADBQJNKCEVMCKN-UHFFFAOYSA-N 365.437 1.560 0 40 FDAB Cc1nnc(COC2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)o1 644211773 DQNPFGYCTBBFMA-QGZVFWFLSA-N 356.426 1.770 0 40 FDAB CCn1ccnc1CNC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 644961307 CBZQREGJWIYOPP-BETUJISGSA-N 364.352 1.915 0 40 FDAB Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1=O 1179236740 PQOIBWBLSZBMGU-GFCCVEGCSA-N 354.366 1.241 0 40 FDAB CC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(COC2CCC(CO)CC2)nn1 1775960696 ASBSIUIYQLSTKB-XPJGSDBHSA-N 350.463 1.651 0 40 FDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@]1(C2CCCC2)CCNC1=O 626716163 YXOIHVQAYHGPLC-DJJJIMSYSA-N 360.458 1.949 0 40 FDAB Cc1ccc(OC[C@H]2CCn3nccc3CN2C(=O)C2CC(O)C2)cn1 585097794 QDFOYZYMVLFURO-ARWYELJZSA-N 356.426 1.537 0 40 FDAB CCn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615159686 PGGRKBNWICZRFH-HXUWFJFHSA-N 368.437 1.941 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccnn3C)CC1)O2 12225793 MMGYYXNTELMKQH-UHFFFAOYSA-N 354.410 1.526 0 40 FDAB O=C1CN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)CCN1 12252736 MXKMWPRMGASIDO-UHFFFAOYSA-N 372.450 1.219 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16194349 VQOPDVKLYCHFQX-UHFFFAOYSA-N 356.444 1.003 0 40 FDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)Cc3ccccc3F)C[C@H]1C2 19021894 FTJGLEGJULWZEH-WBVHZDCISA-N 370.428 1.499 0 40 FDAB COCCC(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 19585629 HBDDEAKNFBLNNC-LBPRGKRZSA-N 359.430 1.127 0 40 FDAB Cn1nc2c(c1C(=O)N1CCC[C@]1(C)C(=O)N1CCOCC1)CCCC2 19746555 IUDGMBNPGQQIJB-LJQANCHMSA-N 360.458 1.152 0 40 FDAB CC(=O)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762152 JKOKKRPCGJOIGQ-IBGZPJMESA-N 369.421 1.627 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@@H]4C3)ncnc21 1888903855 AMGAJKWKRKMJDT-RYUDHWBXSA-N 367.388 1.106 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3cccc4c3OCCO4)CC2)nc1 1889184611 BKMCBWCLESEMPL-UHFFFAOYSA-N 371.393 1.940 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)s1 239432882 WUAXYCQUAVWMLP-VEOFNUSFSA-N 371.415 1.182 0 40 FDAB O[C@H]1CCN(Cc2cnc[nH]2)c2ccccc2OCCCCOC[C@H]1O 2037972653 RGFDTMMWIVTNCX-ZWKOTPCHSA-N 361.442 1.717 0 40 FDAB Cc1nccc(CN2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037981005 QFTCRIFCIIFMMO-ZHALLVOQSA-N 356.401 1.407 0 40 FDAB O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565549775 CHXGMMRMAIHKIZ-UHFFFAOYSA-N 364.409 1.582 0 40 FDAB COc1ccc(CN2CC3(CCN(C(=O)C4CC(O)C4)CC3)CC2=O)cc1 1565545291 FCDKAIBMAYKBCA-UHFFFAOYSA-N 372.465 1.807 0 40 FDAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NC[C@@H]1CCCO1 4377062 UTPIDRNJJFRKSE-ZDUSSCGKSA-N 370.438 1.574 0 40 FDAB NC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 4328735 GBVNZXKKNVUBQS-UHFFFAOYSA-N 358.832 1.786 0 40 FDAB COc1cc(C(=O)N2CC[C@@]3(C[C@@H](Nc4nccs4)CO3)C2)on1 2055844909 UFSOFVGTAPNPMA-MEBBXXQBSA-N 350.400 1.625 0 40 FDAB CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](c2ccccc2)C1 30030260 OTJYOHDBHWVHAL-OAHLLOKOSA-N 356.451 1.478 0 40 FDAB COc1cccc(-n2ccnc2SCC(=O)N[C@@H]2CCCCNC2=O)c1 40127545 DADBXVFVLCWQMK-OAHLLOKOSA-N 374.466 1.758 0 40 FDAB CCNC(=O)COc1ccc(CNC(=O)c2cccc(C)n2)cc1OC 40121425 UXACIPBXYVAGPI-UHFFFAOYSA-N 357.410 1.844 0 40 FDAB COc1c2c(cc3c1[C@@H](CC(=O)[C@@]1(C)CCOC1=O)N(C)CC3)OCO2 20111684 ZEBJLZFDIVCYJM-CWTRNNRKSA-N 361.394 1.865 0 40 FDAB biogenic CCOCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898430 KRCQIYYRIBPCEK-UHFFFAOYSA-N 368.499 1.771 0 40 FDAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 32815640 RAHLNMWHAHUPNF-UHFFFAOYSA-N 366.395 1.561 0 40 FDAB CC(C)CNC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030053 HPLYGRSELCBVCM-AWEZNQCLSA-N 359.469 1.033 0 40 FDAB Nc1nc(N[C@H](CN2CCOCC2)c2ccccc2)cc(-n2cccn2)n1 79106248 KZHDBVVAGFZJEJ-MRXNPFEDSA-N 365.441 1.730 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2559962 KQKWBQWQIAVCLZ-JSGCOSHPSA-N 350.415 1.800 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O 96305041 RACLPXXKTVVWAJ-JXFKEZNVSA-N 371.485 1.657 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)Cn1c(C)csc1=O 22370721 UOJOTTNMUIHZPU-UHFFFAOYSA-N 350.396 1.086 0 40 FDAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(CC(=O)NC2CC2)CC1 22799735 RZMUGMYSAFEWOH-ZDUSSCGKSA-N 373.432 1.833 0 40 FDAB CC(C)(C)c1ccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 23257563 PQVWYYKFXURBRW-UHFFFAOYSA-N 372.513 1.819 0 40 FDAB O=C(c1ccc(O)nn1)N1CCN(Cc2nc3ccccc3s2)CC1 23730929 ZPDDTHDLLMLIRG-UHFFFAOYSA-N 355.423 1.750 0 40 FDAB Cn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)sc2n(C)c1=O 12422747 XFXZGTQAMQJEAK-UHFFFAOYSA-N 363.826 1.882 0 40 FDAB CCOCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC)o2)cc1 24745501 SJXZVSSJEDXIJC-UHFFFAOYSA-N 352.412 1.654 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(c2cnccn2)CC1 25343443 LRWPVJJOVFATFP-HNNXBMFYSA-N 363.421 1.640 0 40 FDAB COCCN([C@@H]1CCSC1)S(=O)(=O)c1cccc2nsnc12 26870430 MGJAAOPZHMAJTQ-SNVBAGLBSA-N 359.498 1.834 0 40 FDAB C[C@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3O 100359662 GPITUBGISIVOSF-LVRVDCMYSA-N 352.471 1.118 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 58218927 PECGXAFQDTZFMF-UHFFFAOYSA-N 359.813 1.555 0 40 FDAB NC(=O)CCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 58213152 UHFLBSSJXAAOAP-UHFFFAOYSA-N 354.248 1.975 0 40 FDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 58332380 VWDFXYKCRODFPL-AWEZNQCLSA-N 366.483 1.715 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N2CCc3cc(OC)ccc32)ccc1O 58494638 REEPLTBXEWBSAK-UHFFFAOYSA-N 363.391 1.939 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 28325084 LQTKRXZBCOWBKP-CQSZACIVSA-N 362.407 1.225 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 20460936 ISOYHYGQBZJPCI-UHFFFAOYSA-N 360.454 1.934 0 40 FDAB O=C(COC(=O)c1ccc(Cl)cc1O)NCCN1C(=O)CSC1=O 3333130 HKKZGJWMJWYDPT-UHFFFAOYSA-N 372.786 1.014 0 40 FDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccnc1N1CCOCC1 45520885 AYXRLYHKHBRYCB-GOSISDBHSA-N 366.465 1.923 0 40 FDAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nn1cnnc1)C(F)(F)F 2421039 XOTJLBYTKXNDTH-CYBMUJFWSA-N 357.292 1.073 0 40 FDAB biogenic Cn1cccc1C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1 12820084 TVCKUKDGRRMVTH-UHFFFAOYSA-N 364.423 1.157 0 40 FDAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3442783 CJOJMMBKHQVTDY-SECBINFHSA-N 355.851 1.556 0 40 FDAB O=C(O[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 62580458 VRCDNZOEYAEMQL-GWCFXTLKSA-N 357.815 1.423 0 40 FDAB NC(=O)COc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1 12911658 YMHLOCMFNYGKRX-UHFFFAOYSA-N 369.377 1.305 0 40 FDAB CS(=O)(=O)NC1=NC2=N[C@H](c3ccccc3)C[C@@H](c3ccccc3)N2N1 13122574 KISCFENOGNFEAC-HOTGVXAUSA-N 369.450 1.954 0 40 FDAB Cc1c(NC(=O)CNC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C 8987977 HKPFWYRKGFHMRQ-UHFFFAOYSA-N 370.434 1.914 0 40 FDAB COC(=O)c1ccoc1COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 14198138 SIUCGMRDDQSDGQ-UHFFFAOYSA-N 372.333 1.475 0 40 FDAB CCCN1C(=O)C(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O 14139077 ICXLTQWVFYRGNM-UHFFFAOYSA-N 372.425 1.039 0 40 FDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 6562831 SEDBGFKFSJKSAV-UHFFFAOYSA-N 367.290 1.754 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(Cl)cc1 15027219 KUEWOEAFYTVSDS-KRWDZBQOSA-N 357.841 1.868 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4942115 VJRRGVUYOXJSEL-PTBVWIJOSA-N 357.362 1.569 0 40 FDAB CC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2Cc1ccccc1 9184241 NLVPLTPETDRBDE-UHFFFAOYSA-N 358.419 1.776 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccn3)CC1)C2=O 7074705 PFJBRJDSKODWTN-HNAYVOBHSA-N 357.458 1.662 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)C1 7131676 RHPNNKAARDUMLZ-ZMZPIMSZSA-N 365.380 1.990 0 40 FDAB Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1=O 67806076 BPICIVLNUYHSAZ-UHFFFAOYSA-N 374.828 1.925 0 40 FDAB O=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669483 AZVFZJIZPKGLQP-MRXNPFEDSA-N 371.422 1.355 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2)CC1 7609229 AKFBFMPMYPJBDN-UHFFFAOYSA-N 351.406 1.761 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc(-c3ccsc3)no2)c1 16117568 PCMYTDZHBWPRIB-UHFFFAOYSA-N 366.424 1.258 0 40 FDAB Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)NCCN(C)C 96230911 NSWFOXZDTZCDHB-UHFFFAOYSA-N 359.405 1.234 0 40 FDAB CCNC(=O)NC(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 23248752 BHRFALHXXJSRGS-UHFFFAOYSA-N 372.391 1.669 0 40 FDAB COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1S(=O)(=O)N(C)C 72295728 MFBBUDLVDRZGMN-TZMCWYRMSA-N 370.471 1.226 0 40 FDAB O=C1c2ccccc2CS(=O)(=O)N1CCn1c(=O)oc2ccccc21 95350472 YBFZGHDENWRRMH-UHFFFAOYSA-N 358.375 1.580 0 40 FDAB CC(=O)N(C)CCCC(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1 95469134 UROPHRJOGMZGOD-UHFFFAOYSA-N 366.487 1.887 0 40 FDAB Nc1cccc(C(=O)N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)c1 95944670 VIQMDCBSHWNNLP-UHFFFAOYSA-N 373.478 1.947 0 40 FDAB CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cn2cncn2)cc1 89621405 CZBNCJRYBHFLII-CQSZACIVSA-N 365.459 1.229 0 40 FDAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCCCCC1 20490937 RGJNLWWFXFFKHR-UHFFFAOYSA-N 366.483 1.865 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408625735 UBSGAIFLZZBIIJ-ZJUUUORDSA-N 364.851 1.167 0 40 FDAB O=C(NCCCO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408595616 QWJXGIINMIGHNE-QGZVFWFLSA-N 362.451 1.075 0 40 FDAB CN1C(=O)COc2ccc(C(=O)Cn3cnc4ccc(F)cc4c3=O)cc21 36358893 HJNWMFNUXBOWDR-UHFFFAOYSA-N 367.336 1.774 0 40 FDAB O=C(CN1CCCCCC1)N1CCc2nnc([C@@H]3CCCNC3)n2CC1 72370882 QREZMHQCRVMBCH-MRXNPFEDSA-N 360.506 1.006 0 40 FDAB NC(=O)CSc1ccccc1NCC(=O)NC(=O)NC1CCCC1 32759710 HAURUQCUWXKXKO-UHFFFAOYSA-N 350.444 1.444 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@]1(CO)COc2ccccc2C1 529819225 ICSKALMTXJJWPO-VIZZQPHQSA-N 355.390 1.697 0 40 FDAB O=C([C@H]1CC=CCC1)N1C[C@H]2Cc3cnc(N4CCOCC4)nc3[C@H]2C1 72342360 JJNCEXPSUVXRHE-UAGQMJEPSA-N 354.454 1.768 0 40 FDAB O=C(NCCc1ccncc1)C1CN(C(=O)COc2ccccc2F)C1 70637476 RHZPDVXQXPOVSV-UHFFFAOYSA-N 357.385 1.417 0 40 FDAB COc1ccc(-n2nnnc2C2(N3CCOCC3)CCCC2)cc1OC 35622601 VWHAGIFNAGXEGH-UHFFFAOYSA-N 359.430 1.781 0 40 FDAB CCn1cc(CN(C)S(=O)(=O)c2ccsc2C(=O)OC)c(C)n1 72334182 WGOUKYHWJJOFCF-UHFFFAOYSA-N 357.457 1.880 0 40 FDAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccncc4)C[C@H]32)c(OC)n1 72392583 KSLQYJMIGCRGNN-ZSZQSSIHSA-N 356.426 1.618 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nnc([C@@H]2CCCO2)s1 41107453 DRECPFCFTLCREU-LBPRGKRZSA-N 357.395 1.807 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O 48401112 SNRJUUACLRUCGV-MRXNPFEDSA-N 357.410 1.614 0 40 FDAB CN(CC(C)(CO)CO)c1ccc(F)cc1S(=O)(=O)C(F)(F)F 89895839 GWVRSAYPUSTKDO-UHFFFAOYSA-N 359.341 1.546 0 40 FDAB C[C@@H]1Cc2cc(C(=O)NCCCO)ccc2N1S(=O)(=O)c1ccccc1 223380125 QPGHWSLIJBPEPI-CQSZACIVSA-N 374.462 1.939 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 576204410 FOKROFJGPRLHNG-NSHDSACASA-N 354.409 1.284 0 40 FDAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 222605102 ATIHUVKHEYAPRJ-CQSZACIVSA-N 368.455 1.782 0 40 FDAB CC(C)C(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96145092 OJEOCABVYNFWQL-UHFFFAOYSA-N 366.483 1.964 0 40 FDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1ccncc1)CC2 96059553 IMNQEZIEPGEKRT-UHFFFAOYSA-N 362.437 1.961 0 40 FDAB O=C(Cc1ccco1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96209622 PJOXVJZFZBZHOQ-HNNXBMFYSA-N 358.398 1.049 0 40 FDAB CCN(CC)CCC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O 584906978 YGRSBHYHAVGBPG-SFHVURJKSA-N 372.469 1.775 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@](C)(C(=O)NCC2CCOCC2)C1 257331768 XUEMXYBHHTXWOK-SFHVURJKSA-N 364.446 1.092 0 40 FDAB Cc1cncc(C(=O)N2CC3(C[C@@H](Oc4nccc(C)n4)CCO3)C2)c1 253602236 LTMPOIRASIQADG-INIZCTEOSA-N 354.410 1.941 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)C3CCOCC3)ccnc12 257322959 WIFWHQHWZIMKDI-OAHLLOKOSA-N 371.441 1.521 0 40 FDAB Cc1nc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cn1C 618255474 QIZDUIRQLMWORB-ZDUSSCGKSA-N 373.438 1.514 0 40 FDAB CC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCN1Cc1ccccc1 274175417 IZTITACOSRHWOG-KRWDZBQOSA-N 367.515 1.391 0 40 FDAB O=C(Cn1c(O)nnc1O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1637027981 FWOFCILMRJUGQM-UHFFFAOYSA-N 356.304 1.409 0 40 FDAB O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1cc(-n2cccc2)ccn1 620108150 SDQHYUBFUSBIQX-INIZCTEOSA-N 353.426 1.892 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 623088239 BKDLNUIDUCDCMK-RHSMWYFYSA-N 367.409 1.924 0 40 FDAB CC(=O)NC[C@H]1CCCCN1Cc1nnc2n(C)c(=O)c3sccc3n12 626157349 OAYBPBINOKGNOV-GFCCVEGCSA-N 374.470 1.133 0 40 FDAB CN(Cc1cn2cccnc2n1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 671564033 UZJLBJUOIRSVAC-MAUKXSAKSA-N 353.474 1.978 0 40 FDAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CNC2=O)C1 390825847 IMJLHHFOUJJMCD-UHFFFAOYSA-N 352.350 1.250 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CCN(c3nccn4cnnc34)C2)cc1F 575414694 WAIUADUEOOBSBC-GFCCVEGCSA-N 356.361 1.281 0 40 FDAB CN1Cc2ccccc2CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1=O 585105680 BVMUJMAVHADDJI-UHFFFAOYSA-N 355.438 1.075 0 40 FDAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cccc(O)c1 585097518 KYVMABSHYLONGL-CQSZACIVSA-N 366.421 1.747 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](CC(=O)N2CCCO2)C1 585095711 FATXRUPEPKATST-OAHLLOKOSA-N 356.382 1.340 0 40 FDAB CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3nc(C(C)(C)C)no3)C2=O)nn1 548335041 LQRKTBNMVQOJDE-NSHDSACASA-N 361.406 1.203 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496189 KNVMWZZOFDJBPK-HNSFDTNUSA-N 364.829 1.927 0 40 FDAB Cc1cc2nc([C@H](C)NS(=O)(=O)c3cccc(F)c3)cc(O)n2n1 19129799 GLHCONSJMWCLLD-JTQLQIEISA-N 350.375 1.922 0 40 FDAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)[C@@H]1CCCO1)CC2 19711254 IKFOLJNJOVGWJE-INIZCTEOSA-N 359.474 1.391 0 40 FDAB CCc1noc(CCC(=O)N2CCO[C@@H](C(=O)N3CCCCCC3)C2)n1 19747144 YUQRNSPTOOCTEH-CQSZACIVSA-N 364.446 1.195 0 40 FDAB O=C1NCCOCCOc2ccc(NCC3CC3)cc2CN2CCC[C@@H]12 643573056 JZXNAHFJMBRVOX-SFHVURJKSA-N 359.470 1.998 0 40 FDAB CCc1noc(COC2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)C2)n1 644220909 RXNDEWQSCCEPPQ-MRXNPFEDSA-N 357.410 1.980 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889205656 GRVMPPRWNUOVKQ-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB COc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(C(N)=O)cc1 25892942 MQJCAPKSGWJWED-UHFFFAOYSA-N 356.382 1.803 0 40 FDAB CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@@H](C(=O)Nc2ccccc2)C1 1614927813 CGQNHEUTXXBIEG-HNNXBMFYSA-N 370.457 1.215 0 40 FDAB CN(C)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941600 WMIRTJRHEVREEZ-UHFFFAOYSA-N 359.455 1.235 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708564 YXDMQFMAUWNJSX-UHFFFAOYSA-N 350.378 1.172 0 40 FDAB COc1cc(C)c(C)cc1S(=O)(=O)NCCCn1ncccc1=O 23241996 IGYJBNJDZKHQLP-UHFFFAOYSA-N 351.428 1.237 0 40 FDAB CN(C(=O)[C@H]1CCOC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 585594407 KURQMIJHLJDMJA-LBPRGKRZSA-N 358.446 1.105 0 40 FDAB COC[C@@](C)(O)CNC(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 75170449 DQAHVLUJGQJBMQ-SFHVURJKSA-N 363.414 1.232 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2ccco2)cc1 77111323 OVNBYTLLUCMXPA-AWEZNQCLSA-N 352.412 1.383 0 40 FDAB CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 8877554 RBSLXNXCAHHADY-UHFFFAOYSA-N 374.871 1.808 0 40 FDAB C[C@@H]1C[C@@H](Sc2nc(C3CC3)nc3c2c(=O)nc(O)n3C2CC2)C(=O)O1 40040144 AWTKAAINXIXNJB-GMSGAONNSA-N 374.422 1.901 0 40 FDAB Cc1nc(CN2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cs1 31259727 RWFJYCQQIAFLSY-UHFFFAOYSA-N 368.466 1.990 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCC(=O)N2CCCCC2)c1 32444761 WMGISEUQPCMRFA-UHFFFAOYSA-N 354.428 1.072 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102085330 KTPAOCHQVWUUSJ-ZMPPFODHSA-N 373.380 1.971 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(OC)cc(OC)c1 32797442 HYWLGYVKEMMYDS-UHFFFAOYSA-N 353.371 1.320 0 40 FDAB Cc1noc(-c2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)n1 46714236 GAXDZIQCJFYODD-UHFFFAOYSA-N 361.365 1.951 0 40 FDAB CNC(=O)OCc1nn(-c2ccc(OC)cc2)c(C)c1COC(=O)NC 1574679 OFKZYIOPNPWKSP-UHFFFAOYSA-N 362.386 1.901 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSC(C)(C)N1C=O 1761431 GZCNYXSDXQZKMU-KGLIPLIRSA-N 350.440 1.197 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](OCCCc2ccccc2)C1 79940158 KQTFEDJUUUPDQF-IRXDYDNUSA-N 366.483 1.607 0 40 FDAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@@H]13)[C@H](O)O2 6067800 JDEYOKPHRJVBQO-QLYFQRBWSA-N 364.482 1.875 0 40 FDAB in-vitro Cc1cc(CNC(=O)COC(=O)c2cccc(-n3cnnn3)c2)ccc1F 22195508 RIGOUZXOBAQIOM-UHFFFAOYSA-N 369.356 1.583 0 40 FDAB C[C@@H](NC(=O)CSc1nc2ncccn2n1)c1ccc2c(c1)OCO2 10074300 VSDQATSZFPOTLL-SNVBAGLBSA-N 357.395 1.823 0 40 FDAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22624418 HNRICWQAVRLHFQ-HNNXBMFYSA-N 368.499 1.945 0 40 FDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc[n+]1[O-])CC3 47298706 HJSXKSDTHLAUQF-UHFFFAOYSA-N 351.362 1.786 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CSC[C@H]1C(=O)NCc1ccccc1 24666023 HQMRHMSPFVIQJZ-KRWDZBQOSA-N 372.494 1.797 0 40 FDAB O=C(NCCc1cc(F)cc2c1OCOC2)c1cccc(-n2cnnn2)c1 57267176 MEUVWIAEKPCTCK-UHFFFAOYSA-N 369.356 1.640 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C)cc2C)CC1 26792934 JDVFDAIPFVHBHP-UHFFFAOYSA-N 368.499 1.860 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 52411093 QODCZLAYHBRNLD-UHFFFAOYSA-N 374.422 1.636 0 40 FDAB Cn1c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc2ccccc21 55039277 XKWWNRYCPMZIMT-OAHLLOKOSA-N 361.467 1.123 0 40 FDAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC1=NCCS1 44817355 AXSNKVHCJMIZGL-UHFFFAOYSA-N 355.485 1.904 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)c2cc(=O)[nH]c3ccccc23)n1 58210438 HSDFMHQVHMVUTR-UHFFFAOYSA-N 350.378 1.990 0 40 FDAB COc1cc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc(OC)c1OC 58292067 KBWHFIAREFJWEJ-OCCSQVGLSA-N 364.442 1.757 0 40 FDAB COCCNC(=O)CN(C)c1nc(C)nc2c1cnn2-c1ccc(F)cc1 58281844 APVHBOMTLDIBBT-UHFFFAOYSA-N 372.404 1.462 0 40 FDAB CC(C)N(Cc1ccccc1)C(=O)Cn1nnn(-c2cccs2)c1=O 10812860 XLBKCEATZJMTBY-UHFFFAOYSA-N 357.439 1.928 0 40 FDAB Cc1c([C@H](C)NC(=O)c2ccc(=O)n(C)n2)cnn1-c1ccc(F)cc1 45517972 VAIBMCKLRDFHQB-NSHDSACASA-N 355.373 1.905 0 40 FDAB O=C(O)CC(=O)N1CCN(C(=O)COc2cccc3ccccc23)CC1 2456447 YBFFPLDWYWMMNH-UHFFFAOYSA-N 356.378 1.364 0 40 FDAB O=C1NC(=O)[C@H](CCC(=O)OCc2nn(-c3ccccc3)c3c2CCC3)N1 63968490 DZGVHIFMGOSIIR-AWEZNQCLSA-N 368.393 1.392 0 40 FDAB CCCCc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 13815732 QAPXLKNXGRCHEJ-UHFFFAOYSA-N 353.426 1.928 0 40 FDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1ccc(F)cc1 408998349 BBNJRCDSYLZPAY-CYBMUJFWSA-N 368.361 1.178 0 40 FDAB Cc1cc(NNS(=O)(=O)c2ccc3c(c2)CCCC3)n2ncnc2n1 14069201 MEBHYAZVNIANFA-UHFFFAOYSA-N 358.427 1.617 0 40 FDAB c1ccc(-n2nnnc2N2CCN(Cc3cn4ccccc4n3)CC2)cc1 9113119 BFYAMSWCRNJLOP-UHFFFAOYSA-N 360.425 1.632 0 40 FDAB COc1ccc(-c2noc(CN(C)C(=O)N3CCOCC3)n2)cc1OC 4943774 PDSRHUIFOCZWFJ-UHFFFAOYSA-N 362.386 1.638 0 40 FDAB Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7007663 QMGIDIKUZFJSGP-PVAXWEITSA-N 359.407 1.338 0 40 FDAB O=S(=O)(NCCOc1ccccc1F)c1ccc2c(c1)OCCO2 7215841 IKPMZONJVOTFAR-UHFFFAOYSA-N 353.371 1.954 0 40 FDAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cc1F 7348977 NFBRVLKAXMTWGR-GFCCVEGCSA-N 366.418 1.929 0 40 FDAB O=C1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CCN1 68465516 VZIODWTZCIGGJS-UHFFFAOYSA-N 351.406 1.432 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179477 GMQRPDHUTLTSOV-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB COc1ccc(/C=C/C(=O)NCCN2CCOCC2)c(OC)c1OC 408578990 XXHVMSLWZSGSIH-FNORWQNLSA-N 350.415 1.174 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)Cl)c1C 17076015 FYLPDVQTTMKAKE-LLVKDONJSA-N 370.809 1.810 0 40 FDAB NC(=O)[C@@H](CNC(=O)c1noc(-c2cccnc2)n1)Cc1ccc(F)cc1 72314102 TYSBTOSCAOSLHI-CYBMUJFWSA-N 369.356 1.345 0 40 FDAB CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)O 9646858 HIHBEBSIPCAWQW-LBPRGKRZSA-N 362.835 1.429 0 40 FDAB in-vitro Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 73796828 OWYBOYRBGSGZDN-GOSISDBHSA-N 369.469 1.888 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C(=O)O)cc2N1 95949221 BPKQGKNEEJSYCT-CQSZACIVSA-N 374.374 1.222 0 40 FDAB O=C(Cn1nnnc1Cc1ccc(Br)cc1)NCC1CC1 74393180 VDAVUPJIYPHSAG-UHFFFAOYSA-N 350.220 1.553 0 40 FDAB Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 175885967 LSXJUCBFPBURRL-SJORKVTESA-N 369.473 1.825 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1-n1cnnn1 35312999 KCQXAOZSEDRHMO-UHFFFAOYSA-N 373.394 1.178 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ncccn2)CC1 34895995 AZDOEVVHTKZKER-CQSZACIVSA-N 360.462 1.146 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 408596278 RXBVOTKOYRMXRS-VIFPVBQESA-N 351.808 1.205 0 40 FDAB CCn1nc2ccn(-c3ccc(C(=O)N(C)CCN(C)C)cc3)nc-2c1=O 306141208 VOKUIWGVDKVJGV-UHFFFAOYSA-N 368.441 1.187 0 40 FDAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCOC)c3)c2)n1 71768476 QFLVYLGJOFHYRY-UHFFFAOYSA-N 356.386 1.646 0 40 FDAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3cccnc3)CC(=O)N1CC2 72342195 MUYRLWDCYGKJKY-MRXNPFEDSA-N 367.405 1.681 0 40 FDAB CCc1nnc2c(=O)n(CC(=O)NCc3ccccc3)c3ccccc3n12 64871528 IGWWYDLZIHYFDO-UHFFFAOYSA-N 361.405 1.923 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1 35380279 JYHGTXASYDZOHV-KRWDZBQOSA-N 353.422 1.773 0 40 FDAB CSCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 16031615 KIVAZABCMOTWSV-CYBMUJFWSA-N 365.407 1.672 0 40 FDAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)c2csc(NC3CC3)n2)cc1 71285548 ZOSSCPLEKQNMLO-UHFFFAOYSA-N 366.468 1.337 0 40 FDAB CCCNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 44839725 SGVWPIRVIMNHLW-UHFFFAOYSA-N 365.433 1.932 0 40 FDAB CCCSc1nnc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 224236021 KCRQQWMJHGAWJZ-SECBINFHSA-N 364.518 1.650 0 40 FDAB CC(C)[C@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccnc1 572703125 HQFUUHRSVZADOU-KRWDZBQOSA-N 365.499 1.894 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96240536 OIAIDMYPZZHZKF-XLIONFOSSA-N 369.469 1.900 0 40 FDAB Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)c1 96225652 VSNQHJQIXGLIHV-UZLBHIALSA-N 371.437 1.651 0 40 FDAB COc1cc(=O)n(CC(=O)Nc2nnc(C)s2)nc1-c1ccccc1 96184119 AMVRFOAEKRCCQO-UHFFFAOYSA-N 357.395 1.718 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccccn1)C=C2 96223316 RNMCJEVCUKXWSE-UHFFFAOYSA-N 367.405 1.771 0 40 FDAB CN1CCNC(=O)[C@@H]1CC(=O)N[C@H](Cc1cccs1)c1nccs1 248018017 GUUBBLMTXBVKIB-OLZOCXBDSA-N 364.496 1.425 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cncc(-c4nccn4C)n3)C2)n1 257238851 HMTYJKNUAGNCGV-ZDUSSCGKSA-N 351.414 1.315 0 40 FDAB Cc1nn(C)cc1CCC(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257224915 FDXXRQXQBSSMPE-IBGZPJMESA-N 357.458 1.156 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3OCC)C2=O)C1 250527469 YIAKWINIQFMXMA-ZBFHGGJFSA-N 374.437 1.992 0 40 FDAB CNC(=O)c1sc2ncccc2c1C1CCN(S(C)(=O)=O)CC1 257255071 KFZOVSPXLQWVFS-UHFFFAOYSA-N 353.469 1.795 0 40 FDAB Cc1nn(C)c(C)c1CN1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257294738 QVMONSGIEOFJTA-RTBURBONSA-N 354.454 1.649 0 40 FDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)Cc1ccccc1F 260790502 BWTXWTXRLQOULM-XEZPLFJOSA-N 354.447 1.892 0 40 FDAB CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)c2cc(C)cc(C)c2)CC1 1775991336 KXFNUHJCMGLWCB-MRXNPFEDSA-N 362.470 1.812 0 40 FDAB Cn1ccnc1CN(C(=O)NCCC1(CN)CC1)[C@H]1CC12CCNCC2 1775960292 DHAGTBQHUCXFNC-HNNXBMFYSA-N 360.506 1.203 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2nc(C)nc(O)c2C1 636283711 NWXFPMROYLSGAZ-QGZVFWFLSA-N 352.394 1.306 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)NCCc2cn3ccccc3n2)cnn1C 649284722 VAQBWAZTEUHLOE-SJORKVTESA-N 352.442 1.038 0 40 FDAB O=C(O)C[C@@H]1C[C@H](C(=O)O)N(S(=O)(=O)/C=C/c2ccccc2Cl)C1 1772770635 FSENYMTVWNRIFI-ZOLRFCATSA-N 373.814 1.890 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 298115743 YLDLTKCLLBIGAG-RPLLJCPNSA-N 368.389 1.284 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585111712 GKUHFXLACZHNNF-INIZCTEOSA-N 352.435 1.518 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(C)cc3)C2)OC1 585104433 INBJKBHTLZYSED-QGZVFWFLSA-N 352.500 1.915 0 40 FDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2C(=O)/C=C/c1c(C)nn(C)c1C 585289877 LSYRKEVNIXHIPF-ZJDHVTHPSA-N 374.485 1.270 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCc2ncc(CN3CCOCC3)n2CC1 585110615 IYYAOSHUTWNNJY-UHFFFAOYSA-N 354.401 1.145 0 40 FDAB CC(C)(C)n1nc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1C1CC1 685941819 IWVSRALJMUHITF-GOEBONIOSA-N 359.430 1.815 0 40 FDAB O=C1NN(c2cccc(C(=O)N3CCOCC3)c2)C(=O)[C@H]2CC=CC[C@H]12 58264951 YJZBKGOSDDCZFR-HOTGVXAUSA-N 355.394 1.119 0 40 FDAB CC(=O)N[C@@]12CCN(S(=O)(=O)c3ccc(C)c(C)c3)C[C@@H]1CN(C)C2 19712979 LEFAWOWLHKFXMG-FUHWJXTLSA-N 365.499 1.134 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1F 5332791 ASWONMRWYDHIOQ-NNFUDEMPSA-N 366.385 1.992 0 40 FDAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)on1 12118365 DLEPTHHAHZQDTG-OAHLLOKOSA-N 371.441 1.478 0 40 FDAB Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 12187744 YEVDJWHNJPCHBU-GFCCVEGCSA-N 364.427 1.198 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19406370 PAXPJAGSGSLUKE-CYBMUJFWSA-N 360.439 1.778 0 40 FDAB CCNC(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19528335 MGLIVVMZKWNDBP-HNNXBMFYSA-N 359.470 1.819 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)[nH]1 19937482 IDLQNHLWZVJWCP-UHFFFAOYSA-N 360.845 1.931 0 40 FDAB COc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCOC3)CC2)c(C)c1 575609238 ZVTNJKNOPVTETA-MRXNPFEDSA-N 368.499 1.783 0 40 FDAB CC(C)(C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134719 MMSJXQFWPCINPK-UHFFFAOYSA-N 364.400 1.631 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2C(=O)O)c1 9537195 SOOHHWWYCMGWAE-OAHLLOKOSA-N 368.455 1.715 0 40 FDAB Cn1nc(C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n(C2CC2)c1=O 1888860270 JUJHIQJUTZZLTJ-UHFFFAOYSA-N 372.351 1.698 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(C)nc5ccnn45)C[C@@H]3C2)n1 1888876297 KQUOMURLFICCRI-OKILXGFUSA-N 351.414 1.409 0 40 FDAB CN(C)C(=O)c1ccc2c(c1)CCCCCNCC[C@H](O)[C@H](O)CO2 2037977752 CJRIKCHFPONBOQ-DLBZAZTESA-N 350.459 1.195 0 40 FDAB CCc1ccc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cn1 1565551921 MEDCHAAVGFRBBS-UHFFFAOYSA-N 367.453 1.802 0 40 FDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cnn4ccccc34)CC2)C1=O 1565554733 YHAJWXMVWLSPKF-FQEVSTJZSA-N 370.453 1.826 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 4328752 VCFKWCNHNAAHMX-SECBINFHSA-N 358.489 1.910 0 40 FDAB CC(C)CC(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 4328352 KXPZUGRIBALYLD-JTQLQIEISA-N 358.489 1.910 0 40 FDAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccn3)n2)cc1 9660875 APDNMOKMMSHOFO-UHFFFAOYSA-N 350.378 1.744 0 40 FDAB C[C@H]1Oc2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2NC1=O 12417051 CCICZPGCXMHHPA-LLVKDONJSA-N 360.391 1.994 0 40 FDAB COc1ccc([C@H](O)CNS(=O)(=O)c2c(F)cccc2F)cc1OC 207963822 RFMRRJPUUWDVPR-CYBMUJFWSA-N 373.377 1.994 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1cccn1C)N(C)C 38674844 NBJNIQXSVQWUAJ-AWEZNQCLSA-N 355.435 1.754 0 40 FDAB CCOc1cc(S(=O)(=O)N[C@H](CC)CO)ccc1Br 11566176 CSAHWAVGWXLWDC-SECBINFHSA-N 352.250 1.897 0 40 FDAB O=C(Cc1cccc(F)c1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19293750 KCPNWFDIDSOGMW-CQSZACIVSA-N 368.416 1.401 0 40 FDAB COc1cc(C)c(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1OC 40071116 XDXVLCDKQRSXTG-LBPRGKRZSA-N 356.444 1.070 0 40 FDAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 30530694 DVJGGRAAZFQQGS-AWEZNQCLSA-N 354.366 1.190 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20213827 DQRQFOWLFDSGCP-QGZVFWFLSA-N 359.426 1.498 0 40 FDAB C[C@@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)N1CCOCC1 11823180 MKUOFBDKLWXBIN-GFCCVEGCSA-N 351.476 1.553 0 40 FDAB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O)c1ccco1 2644171 OHICDVITFNVSRF-UHFFFAOYSA-N 356.334 1.838 0 40 FDAB CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2 1346663 SCGOKQHUDIRMPA-UHFFFAOYSA-N 360.410 1.990 0 40 FDAB COC(=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 32990274 GNZSDAQFKHEMRE-HNNXBMFYSA-N 356.378 1.526 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nc(N)ns3)CC2)[C@@H]1C 79059035 DTJJMNUETWNUSJ-UPJWGTAASA-N 352.508 1.183 0 40 FDAB COCCn1cc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 79479794 BUVYVFKFSQSAEP-CQSZACIVSA-N 350.440 1.134 0 40 FDAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2384987 TYYLDKGBCJGJGW-WMZOPIPTSA-N 367.405 1.555 0 40 FDAB endogenous,in-man COc1cccc(Nc2nnc(S[C@@H](C)C(=O)NC(N)=O)s2)c1 3601423 KLKQFDSNDFLULO-ZETCQYMHSA-N 353.429 1.966 0 40 FDAB Cc1cc2nc(N3CCCCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C 4830576 OGQTVPDRDZUIRB-MHORFTMASA-N 361.442 1.255 0 40 FDAB Cc1cc(C)c(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1C 6636947 YQMFKRZAJLZVBR-UHFFFAOYSA-N 374.828 1.895 0 40 FDAB CN1CCN(C(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)CC1 19858075 WMERRSDPVGKEJH-UHFFFAOYSA-N 365.433 1.744 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 8988104 JRRPSKIRWYXFAH-UHFFFAOYSA-N 359.338 1.130 0 40 FDAB Cn1cnnc1CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 42044411 SYMUDALCHWWFKN-OCABNYQQSA-N 371.485 1.639 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(-c2ccccc2)no1 12377028 GWMZAKGGOODFFV-UHFFFAOYSA-N 368.368 1.964 0 40 FDAB CNC(=O)NC(=O)[C@@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 23717886 GXDSCCPRBKSWLV-YOEHRIQHSA-N 355.394 1.613 0 40 FDAB O=C(CCn1cncn1)Nc1ccc2nc(N3CCOCC3)sc2c1 24029609 STMPYFZHWAJZPO-UHFFFAOYSA-N 358.427 1.753 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)ccn3)C2=O)cc1 12558401 QMTMHPYSZJOVNQ-IBGZPJMESA-N 368.393 1.804 0 40 FDAB O[C@H]1C[C@](CNCc2cccc(Cl)c2)(COc2cnccn2)C[C@H]1O 107430525 XLPKXVAFNFMGJN-ALXJQNPVSA-N 363.845 1.801 0 40 FDAB biogenic,in-vitro Clc1ccc(OCCN2CCN(c3ccc4nnnn4n3)CC2)cc1 57373665 UMKFLAXGGGWDJH-UHFFFAOYSA-N 359.821 1.374 0 40 FDAB CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 57475963 OUEUCTDNPXCNQA-ZDUSSCGKSA-N 359.469 1.129 0 40 FDAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H](Cc1ccccc1)n1cnnn1 26720679 IASYMOCTKRRULM-LJQANCHMSA-N 373.420 1.959 0 40 FDAB NC(=O)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 12634391 SNTJFICAGVFZPR-UHFFFAOYSA-N 352.394 1.728 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12617456 LYEOXJGZFHQNBA-STQMWFEESA-N 358.394 1.942 0 40 FDAB CS(=O)(=O)NCCNC(=O)CCc1ccc(Br)cc1F 58218596 VVSYBDUOKJNETQ-UHFFFAOYSA-N 367.240 1.186 0 40 FDAB O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 58209596 AGLPGWSUGJIZGD-UHFFFAOYSA-N 366.468 1.077 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCS(=O)(=O)C3CCCC3)cc12 48264855 YGPYCRNZIJEDNC-UHFFFAOYSA-N 350.444 1.963 0 40 FDAB Cc1nc(NCC(=O)N2CCN(c3ccccc3)CC2)c2cnn(C)c2n1 58266824 YWKTTZMMABZYGB-UHFFFAOYSA-N 365.441 1.432 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 107234009 LFWAFEGDDNHVLL-PKOBYXMFSA-N 371.462 1.799 0 40 FDAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@H]3CC=CC[C@H]3C1=O)C[C@H]2O 36391033 LNCSVXCSWBZMGT-VNHYZAJKSA-N 372.421 1.462 0 40 FDAB NC(=O)CSc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 2400220 DNSXVRRMCZYMJS-UHFFFAOYSA-N 359.802 1.694 0 40 FDAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)NC1CC1 29463058 IRPDBCAXQXISMY-UHFFFAOYSA-N 352.394 1.613 0 40 FDAB CCCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n[nH]c1=O 13074448 UCPKEEHGOAAENQ-WDEREUQCSA-N 355.464 1.478 0 40 FDAB O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)NCc2ccc(Cl)cc2)N1 13608612 OPAWKRDPDFMHHA-CHWSQXEVSA-N 367.858 1.136 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)nn12 9339144 WCNSUZQYKQPPMC-UHFFFAOYSA-N 351.414 1.437 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1C 6202974 SYZPVAIUBOOOAG-CYBMUJFWSA-N 352.456 1.683 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(C)c(=O)c2ccccc12 5298350 SKAXISXWPKGTNZ-INIZCTEOSA-N 365.389 1.448 0 40 FDAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCNC(=O)C(C)(C)C 65474619 YSIMQWCSBHMLCV-UHFFFAOYSA-N 371.522 1.661 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1F 14072167 MEIYWQVAOABKTR-SNVBAGLBSA-N 359.332 1.845 0 40 FDAB CCn1c(=O)n(CCC(=O)Nc2nc(CC(N)=O)cs2)c2ccccc21 14139671 MDYAMNCVEJPSDN-UHFFFAOYSA-N 373.438 1.336 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@H]1C 14229118 SWUXJHOKPUPNKL-JTQLQIEISA-N 363.370 1.156 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 5456834 GQJKHDBZFYSGNL-UHFFFAOYSA-N 373.409 1.684 0 40 FDAB O=C(NCCc1c[nH]cn1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992838 JPXASYQHORFPEW-SNVBAGLBSA-N 374.836 1.305 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2ccccc2OC)c(N2CCCC2)n1 67256852 YDPMIFSHXMTHMM-UHFFFAOYSA-N 372.425 1.637 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccc(C)cc3)c(=O)cc2C1 67318865 USHAKGJBBXBIOW-UHFFFAOYSA-N 370.409 1.705 0 40 FDAB C[C@@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccccc4)nc23)C1 71328198 JHWRBPXHSGZOFF-CQSZACIVSA-N 366.425 1.766 0 40 FDAB CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccc(F)cc1 8121293 NMINSTSYBGVAKA-UHFFFAOYSA-N 355.369 1.992 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O 81700962 MKQVRVKGQWLMMC-APWZRJJASA-N 354.406 1.590 0 40 FDAB COC(C)(C)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 96000256 AWBJHFHRISJAEA-HNNXBMFYSA-N 354.472 1.636 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COc1ncccc1F)CCS2(=O)=O 306134551 NRHRNHCNUUXBAW-JHJVBQTASA-N 368.430 1.271 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCC2)c(F)c1 72306648 ZMJRPEWKFOWQQM-UHFFFAOYSA-N 364.406 1.757 0 40 FDAB CCCNC(=O)CN(C)C(=O)CN[C@@H](CN1CCCC1)c1ccccc1 95462571 SOUBILCTPDBVQQ-SFHVURJKSA-N 360.502 1.398 0 40 FDAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 409112791 BYNDNTBQYFZTDL-CQSZACIVSA-N 372.487 1.783 0 40 FDAB OC[C@H]1CCCN1c1cc(NCCc2nnnn2-c2ccccc2)ncn1 509497072 ZBUDOTYNQYWWMG-OAHLLOKOSA-N 366.429 1.068 0 40 FDAB CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)C1(C)C 555897278 VWAABTJMZBAGDT-FRIZHTMISA-N 360.458 1.078 0 40 FDAB COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1-n1cnnn1 36352907 GJGBQBCJVZUMMX-MRXNPFEDSA-N 353.338 1.449 0 40 FDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1nnc2ccccn12 524732948 FJGZCUWKZPHLFB-UHFFFAOYSA-N 368.445 1.415 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306129030 HRWSXFJJOYCKLJ-IJEWVQPXSA-N 364.467 1.270 0 40 FDAB COc1ncccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1snnc1C 72347680 OXVQNCGVTVCRAB-GTKHYJCHSA-N 360.439 1.905 0 40 FDAB COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c(=O)[nH]c2c1 79190010 ADFAJKYFUMSQBJ-UHFFFAOYSA-N 353.422 1.762 0 40 FDAB biogenic Cc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 72369567 RZDYDBDYRGSMHT-LLVKDONJSA-N 352.416 1.438 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O 71287956 UPYSBGLRICVFOB-KBPBESRZSA-N 366.439 1.694 0 40 FDAB Cn1ccnc1-c1cnc(N2CCC(C(N)=O)CC2)nc1-c1ccco1 72340769 QMUSSYIAPRDMSN-UHFFFAOYSA-N 352.398 1.839 0 40 FDAB COC(=O)Cc1nn(CC(=O)Nc2ccccc2F)c(=O)c2ccccc12 40384858 GYJXUVASBZVBOZ-UHFFFAOYSA-N 369.352 1.890 0 40 FDAB COc1ccc(-c2c3c(=O)n(-c4nc(C)n[nH]4)ccc3nc3ncnn23)cc1 40287700 AHQVWSIZIHOUFY-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccs2)cc1 40161108 RMYURXBYOGOSTK-LLVKDONJSA-N 366.464 1.934 0 40 FDAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 77184858 PJICFKFZYKKQCU-FQEVSTJZSA-N 374.412 1.560 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)c1ccccc12 96058402 HESAZZIGOPFORC-HNNXBMFYSA-N 352.456 1.487 0 40 FDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CC1=O 331509364 TXMPCAGKOYCSHK-XHDPSFHLSA-N 365.396 1.875 0 40 FDAB COCCC(=O)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244243 ZCODSMFYHXKKHV-IBGZPJMESA-N 372.425 1.719 0 40 FDAB COc1cccc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)c1 96159818 XZDABUUPMWWCAM-OXQOHEQNSA-N 358.438 1.683 0 40 FDAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1cc(-c2ccco2)[nH]n1 95478337 JIRKXJLEILHONA-UHFFFAOYSA-N 365.349 1.103 0 40 FDAB COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1cccc(Cl)c1)C2 96206949 XXOTZCDVEBNHDF-QAPCUYQASA-N 352.862 1.941 0 40 FDAB CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccc(OC)cc1)C2 96143461 WICNGEAHGLCIOR-HXUWFJFHSA-N 373.453 1.238 0 40 FDAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccccn2c1=O 96114176 FPHDOCDYVCIJQN-GFCCVEGCSA-N 370.361 1.809 0 40 FDAB biogenic COc1cccc(CC(=O)N2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)c1 247907291 SVKCKQWVPCYDRQ-SFHVURJKSA-N 374.481 1.578 0 40 FDAB COCc1ccc(C(=O)N2CC[C@@H](c3ncc(CNC(C)=O)[nH]3)C2)cc1 257344615 ZXZMKUXFRFECNH-MRXNPFEDSA-N 356.426 1.822 0 40 FDAB COC(=O)[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccnn1C 592706780 WNTFKLRCDQPJFF-XHDPSFHLSA-N 360.345 1.016 0 40 FDAB CCOc1ccc(O[C@@H](C)c2nnc3n2CCS(=O)(=O)CC3)cc1 630951169 JFDBVDBZEBSAOA-LBPRGKRZSA-N 351.428 1.788 0 40 FDAB COC(=O)c1cnn(CC(=O)N(C)[C@H](c2ccc(F)cc2)c2ncc[nH]2)c1 1144362506 KVIODFHUUSAPCR-MRXNPFEDSA-N 371.372 1.780 0 40 FDAB CNC(=O)CC1CCN(C(=O)N[C@H]2CCc3ccccc3NC2=O)CC1 654627239 KCCXCZFONPVFHV-INIZCTEOSA-N 358.442 1.498 0 40 FDAB Cc1cc(F)ccc1C[C@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)O)C1 656716077 FTQUEVKPDABZBR-JSGCOSHPSA-N 358.435 1.696 0 40 FDAB CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)[C@H]3CCCC3(C)C)CC1)OC2 1775962935 YKRSUUVGQPILQB-OAHLLOKOSA-N 374.485 1.960 0 40 FDAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cccc(O)c1 585098196 RTDYMECMGUCVRI-AWEZNQCLSA-N 368.437 1.971 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCOCC1 585112863 WFLOWOPZJREPBU-KRWDZBQOSA-N 356.426 1.587 0 40 FDAB COc1ncc(C(=O)N2CCC[C@@](O)(COc3ccccc3C)C2)cn1 585277028 ROSQATUZCQEXJM-IBGZPJMESA-N 357.410 1.840 0 40 FDAB CCc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)s1 49736959 GTSYHAFCNABJOC-HNNXBMFYSA-N 359.561 1.861 0 40 FDAB CN(CCO)C[C@@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 85470203 MWPRHNBRWLETGW-OAHLLOKOSA-N 352.500 1.711 0 40 FDAB CC(=O)OCC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615125292 YSOABWWXSIHNRK-SFHVURJKSA-N 364.373 1.113 0 40 FDAB O=C(c1cccs1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161680 JHQLDSNFXOLZMD-CYBMUJFWSA-N 361.423 1.016 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5021924 LKCMZCRNFAJNBM-SFHVURJKSA-N 357.366 1.087 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1N1CCCCS1(=O)=O 5439602 FCRYANADSYYVBU-OAHLLOKOSA-N 352.456 1.834 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3noc(C)n3)cc2C[C@H]1C 19286077 RHLIYWVQOXWSGG-SECBINFHSA-N 350.400 1.154 0 40 FDAB CC(C)NC(=O)[C@H]1CN(C(C)C)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450157 QQCOFVMVHJQNBK-HOTGVXAUSA-N 361.490 1.262 0 40 FDAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2C(=O)C(C)(C)C)n1 19767116 ADMQFBVYCFURDS-HNNXBMFYSA-N 360.458 1.967 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc21 13534829 BTYDBRQJDPCKKO-UHFFFAOYSA-N 358.450 1.406 0 40 FDAB c1cc2c(N3CCN(c4cc(N5CCCC5)ncn4)CC3)ncnc2cn1 1889186498 VILRFVYWUFNSOY-UHFFFAOYSA-N 362.441 1.742 0 40 FDAB O=C(Cc1ccc(F)cc1F)N1CCN(c2cc(O)nc(O)n2)CC1 1775995207 HWQMMTGCYCANAT-UHFFFAOYSA-N 350.325 1.057 0 40 FDAB Cc1nnc(CN2C[C@@H](c3cncn3C)[C@H](CNC(=O)C3(C)CC3)C2)s1 1775962749 BUXRUNBIGWTHFR-ZIAGYGMSSA-N 374.514 1.712 0 40 FDAB CC(C)CNC(=O)c1cc2c(CNC(=O)[C@H]3CCOC3)nn(C)c2s1 1565544066 FBABMYPHDGUISZ-NSHDSACASA-N 364.471 1.673 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3cccc(N)c3C2=O)c1 990918 ZLGUMVNUDPLVDS-UHFFFAOYSA-N 354.318 1.643 0 40 FDAB CNC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21 4359062 CTAKZUGIZKPMHX-UHFFFAOYSA-N 363.373 1.953 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 5234427 AYUOOUUEVWCLKN-SRTKAIALSA-N 350.367 1.989 0 40 FDAB biogenic 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biogenic O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32091619 SKBUJINFYJEQTB-OAHLLOKOSA-N 368.416 1.839 0 40 FDAB COCCCNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101709660 JZVPCIFFMYBNAV-UHFFFAOYSA-N 363.845 1.711 0 40 FDAB Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1C 102129176 KKCVMRZNFSEJPZ-GJZGRUSLSA-N 372.421 1.709 0 40 FDAB O=C(CN1CCC(CCc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 29806485 KGEQEIRDWAKZCO-GOSISDBHSA-N 364.511 1.635 0 40 FDAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCOCC1 32980141 OYBODJKJHMEWTG-HNNXBMFYSA-N 352.456 1.162 0 40 FDAB O=C(Cc1ccccc1)NCCC(=O)OCC(=O)c1ccc2c(c1)OCO2 21860836 BXPOWIOEQNOTBI-UHFFFAOYSA-N 369.373 1.890 0 40 FDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1-n1cccn1 52845254 WVAUBTVPICQYQJ-LJQANCHMSA-N 372.494 1.810 0 40 FDAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(Cl)cc1 4275849 ZWTDRTNLJKBYAO-YXMSTPNBSA-N 371.817 1.461 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 6421909 RJOWQBLQLYHHMZ-UHFFFAOYSA-N 353.787 1.878 0 40 FDAB Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCCCC1 6586495 YILKFLWHRCZYJR-UHFFFAOYSA-N 356.492 1.589 0 40 FDAB CCn1c(C)cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1C 8942807 VHGLNRMVWVCJPX-UHFFFAOYSA-N 365.455 1.420 0 40 FDAB O=C1CC2(CCN(C(=O)C3CCOCC3)CC2)CN1Cc1cccnc1 108530606 LCDNFODGCKLSSJ-UHFFFAOYSA-N 357.454 1.849 0 40 FDAB CSc1ccc(CN(C)[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 37477365 YQLOGBCPLWTVLG-OCCSQVGLSA-N 356.513 1.532 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC)(C(=O)OC)N[C@H]2c1ccc(Cl)cc1 100420677 UMBNESFENUNIQZ-AHXJXLJNSA-N 364.829 1.927 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCN2C(=O)c3ccccc3C2=O)n1 23709820 CZPHLFXHAIDNQZ-UHFFFAOYSA-N 354.410 1.693 0 40 FDAB CCN(CC)C(=O)CSc1nnc(SCc2cc(C)no2)n1N 24420329 JOEYGPKDZURSJA-UHFFFAOYSA-N 356.477 1.541 0 40 FDAB NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1 55091530 YSQVQWQOLOSOSC-INIZCTEOSA-N 371.462 1.697 0 40 FDAB Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1 20141565 WVPCKKPGMIBUOB-GOSISDBHSA-N 352.442 1.960 0 40 FDAB CNC(=O)C1CCC(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 58015618 OOPTVIGLQJJIJJ-UHFFFAOYSA-N 364.442 1.676 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccn2)cc1 12606287 LVCAPOQTEMNWGQ-UHFFFAOYSA-N 362.411 1.347 0 40 FDAB CCOc1ccccc1CNc1nc2[nH]c(C)c(CC(=O)OC)c(=O)n2n1 100641667 BUTZEECRFNIYMW-UHFFFAOYSA-N 371.397 1.452 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)NCC(=O)NC3CCCCC3)cnc12 58153486 BBEYEUVSHRZYDK-UHFFFAOYSA-N 370.453 1.660 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCOCC1 58166384 RVTANWARMWFMAE-INIZCTEOSA-N 365.455 1.643 0 40 FDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 58162620 IYJYXRKBPNSDTQ-GJZGRUSLSA-N 368.455 1.241 0 40 FDAB Cc1cc(C)n(-c2ccc(NC(=O)CCC(=O)N3CCOCC3)cn2)n1 48166460 MSQDWKGMAKHFFC-UHFFFAOYSA-N 357.414 1.462 0 40 FDAB CCOC(=O)C1=C(N)OC2=C(C(=O)O[C@@H](C)C2)[C@@]12C(=O)Nc1ccccc12 2294389 KYKFYHXAKITAHY-ZRNGKTOUSA-N 370.361 1.230 0 40 FDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1F 3334836 NULRYQHDAKPZJA-UHFFFAOYSA-N 355.301 1.880 0 40 FDAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36365575 JIYDFCOIRLCOAU-QGZVFWFLSA-N 359.382 1.016 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCOCC2)cn1 45890139 JKQBEYRREKJFMD-UHFFFAOYSA-N 365.393 1.267 0 40 FDAB CCOC(=O)c1cc(NC(=O)c2ccc(=O)[nH]c2)cc(C(=O)OCC)c1 12760620 XDIMDMAXSNYHPH-UHFFFAOYSA-N 358.350 1.981 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccco2)cc1 3443093 XKUABSORGUSYAU-UHFFFAOYSA-N 352.412 1.663 0 40 FDAB CCc1noc([C@H](C)N2CCN(C(=O)c3cc(C(C)=O)cn3C)CC2)n1 112036852 SVVYQFPSLOFDDW-LBPRGKRZSA-N 359.430 1.692 0 40 FDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC 4065434 SABAMPQTLVPIKP-INIZCTEOSA-N 364.398 1.911 0 40 FDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1n[nH]c2c1CCC2 9541545 MSDDFGZIFWRCJW-UHFFFAOYSA-N 362.444 1.058 0 40 FDAB CNC(=O)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 6087494 JZNDKONMNHVPIM-UHFFFAOYSA-N 356.407 1.889 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)Nc3nc(C(C)(C)C)cs3)cnc21 14069952 QFPWZRHMKJODRT-UHFFFAOYSA-N 360.443 1.913 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2=NCCS2)c1 6651799 HBVBHLAIBXWKBR-UHFFFAOYSA-N 359.448 1.689 0 40 FDAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(C(N)=O)CC1 4821939 SALWNNUYLVAWRY-UHFFFAOYSA-N 372.425 1.399 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1cccc(F)c1 5861576 IIJVRHYGKLWOKI-CHWSQXEVSA-N 350.390 1.888 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccc2c(c1)OCCO2 15184135 JQNPNVNATDPCLP-UHFFFAOYSA-N 359.426 1.802 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Nc2cccc(C)c2)s1 8091046 TZEKJYSBEKRKKE-UHFFFAOYSA-N 352.441 1.971 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@H](CCSC)C1=O 8129658 URSDGSLIBSOTCS-LLVKDONJSA-N 351.428 1.616 0 40 FDAB O=C(O)CCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8429579 IMMOFIBRQGMAMX-UHFFFAOYSA-N 368.455 1.846 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)[C@@H](C)C1 84715013 DPQXAMLNYUGFKX-YESZJQIVSA-N 373.497 1.989 0 40 FDAB CCOc1ccccc1NC(=O)[C@H](C)N(C)CCCN1CCN(C)CC1 95405696 PPNMSCFHNXRXRX-KRWDZBQOSA-N 362.518 1.982 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(F)cc1 20245170 AQKCQQBGFIUDJN-UHFFFAOYSA-N 352.391 1.472 0 40 FDAB Cc1ncsc1CN1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 306129327 IASRPLRHFGHRIZ-LBPRGKRZSA-N 355.489 1.144 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)COC3)C2 306132923 LWKXNEOQARQQIO-INIZCTEOSA-N 365.451 1.383 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCS[C@@H](c2cccs2)CC1 219467426 QFESCLJQUOSHFY-CYBMUJFWSA-N 365.480 1.695 0 40 FDAB COc1cc2ncn3c(=O)n(CC(=O)NC4CCCC4)nc3c2cc1OC 72389515 FAHLTTHJMPCHPU-UHFFFAOYSA-N 371.397 1.120 0 40 FDAB CC(=O)NCC(=O)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353573 SGFHBFVTWJGWQB-KRWDZBQOSA-N 367.453 1.120 0 40 FDAB COCCNC(=S)Nc1nc(OC)cc(N2Cc3ccccc3C2)n1 225897140 IROCPHQBWUGWQU-UHFFFAOYSA-N 359.455 1.938 0 40 FDAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cncn1 329477376 OGONKOATJRJQKU-JWTNVVGKSA-N 367.453 1.962 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229853015 XBJPWUIUZSUXFV-AWBCAMRRSA-N 363.753 1.234 0 40 FDAB COc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)ccc1C 577306395 JPIXAPUOPUKJSI-WMLDXEAASA-N 356.426 1.687 0 40 FDAB Cc1cc(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)on1 96207455 JRCKJIMCKYCICX-CQSZACIVSA-N 353.382 1.926 0 40 FDAB Fc1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)cc1 96052361 ZNOUBTJUXXVMAQ-UXHICEINSA-N 364.461 1.908 0 40 FDAB Cc1ccccc1CNC(=O)N1CC[C@@H]2CN(C)S(=O)(=O)[C@@H]2CC1 96263763 AQPDKIKBFSKHPD-HZPDHXFCSA-N 351.472 1.560 0 40 FDAB Cn1cccc1C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 96241358 GACMJBOAGCWRPC-UHFFFAOYSA-N 373.478 1.979 0 40 FDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)no1 96066295 GECYBUAOAXULJH-JQHSSLGASA-N 356.426 1.674 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCC12CCOCC2 582114287 GEISKUHOAASODE-CVEARBPZSA-N 359.536 1.586 0 40 FDAB COc1ccc(-c2nn(CC(=O)NC[C@@H]3CCCO3)c(=O)cc2OC)cc1 96183138 FNRKQNABQUCCQO-HNNXBMFYSA-N 373.409 1.223 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN([C@@H]3CCOC3)C2)O1 248021441 FOXYSEKAGOZVIK-NEWSRXKRSA-N 350.459 1.750 0 40 FDAB Cc1cccc(CO[C@H]2[C@@H]3COCCN3C[C@H]2NC(=O)c2ccoc2)n1 247864207 HPYVCWZQUQBXAE-FGTMMUONSA-N 357.410 1.381 0 40 FDAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 539237601 BMHBFFRULITGKZ-UHFFFAOYSA-N 365.411 1.534 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)c4ccccn4)C3)ccnc12 257266390 MCUPSYCPIKTONK-LBPRGKRZSA-N 350.382 1.114 0 40 FDAB CCOc1cccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 585655832 XXHGIMNXPVRUBW-AWEZNQCLSA-N 370.409 1.892 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1sccc1OCC)C2 253383891 MXXNKUTXKQXUGC-LBPRGKRZSA-N 373.496 1.813 0 40 FDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 257297466 RHIVSUWDUKPDFT-ZWKOTPCHSA-N 359.470 1.890 0 40 FDAB CCc1nccn1CC(=O)NCc1cncc([C@H]2CCCN2C(C)=O)n1 257330633 XPGFYSSHCBPWFA-MRXNPFEDSA-N 356.430 1.235 0 40 FDAB CO[C@H](C)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 268958304 XBJFEHCEGQOUBG-LSDHHAIUSA-N 355.504 1.136 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 274217911 OFFBGGFPUJAHHW-HOTGVXAUSA-N 367.471 1.194 0 40 FDAB COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(N)nc2C)CC1=O 82097375 RQRDSTWPUALVOT-UHFFFAOYSA-N 369.425 1.102 0 40 FDAB COCC1(CC(=O)N2CCCCC[C@@H](Nc3ccc4nnnn4n3)C2)CC1 1615611247 ZIRRCFPGPUYPSH-CQSZACIVSA-N 373.461 1.519 0 40 FDAB CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1=C(C)OCCS1(=O)=O 1632697564 RDPRWULPMQMKQZ-QMTHXVAHSA-N 357.403 1.694 0 40 FDAB COc1cc([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)ccc1OC(C)C 643164467 HNFVHCQPAGRCHP-LLVKDONJSA-N 361.398 1.773 0 40 FDAB Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)ccc1N1CCOCC1 655596382 FGOXUTMQNWKULD-QGZVFWFLSA-N 369.421 1.652 0 40 FDAB CCc1nc(S(=O)(=O)Nc2cnccc2-n2ccnn2)cn1CC1CC1 663298406 NFEPXSUMKBZIGB-UHFFFAOYSA-N 373.442 1.632 0 40 FDAB Cc1noc(CC(=O)N2CC[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)n1 585106569 BKFMXRNGBRGRSM-HNAYVOBHSA-N 354.410 1.395 0 40 FDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCCCO2 585094746 KHGDRNDMNNMQGD-CQSZACIVSA-N 357.410 1.795 0 40 FDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 55992156 CRNWBXFGLSSAIC-CQSZACIVSA-N 351.472 1.313 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615161524 ZQAYFNOVEYEZME-LJQANCHMSA-N 354.410 1.458 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1 12186283 SZCHLWKPHPNQJZ-UHFFFAOYSA-N 369.400 1.716 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1cccc(F)c1 13632470 FRVHYNKSVADAMH-UHFFFAOYSA-N 357.451 1.194 0 40 FDAB CCC(=O)O[C@@H](C)CN(C[C@@H](C)OC(=O)CC)C(=O)[C@@H](C)OC(=O)CC 17322735 DGBWIFZBEHDPBK-HZSPNIEDSA-N 373.446 1.840 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)Cc1ccccn1)CC3 19126031 HYTANVVBKGNJRX-UHFFFAOYSA-N 354.435 1.789 0 40 FDAB CN(C)c1cccc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c1 225630425 VUWKDJQBNAUTCQ-UHFFFAOYSA-N 368.441 1.164 0 40 FDAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)O 16899957 ISNDLHIPIULAAM-VXGBXAGGSA-N 370.814 1.294 0 40 FDAB Cc1cc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)nn1C 1888879437 VNXJEHHRLCLIKC-UHFFFAOYSA-N 354.414 1.702 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ncccc5F)C[C@H]4C3)nn12 1888881980 GMXBNYFHJFLORZ-BETUJISGSA-N 367.388 1.175 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037841134 XKUDNICZSHVCRP-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB COc1cccc(C(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037985665 RKJLBDJVHSDCKL-LJQANCHMSA-N 362.426 1.174 0 40 FDAB O=C(CC1(O)CCC1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565555668 MSMBILDABMCOGV-GOEBONIOSA-N 350.484 1.712 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 1565548613 GJFNTEDVIKRFKE-XLSPSMHOSA-N 355.438 1.315 0 40 FDAB Cc1nc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cs1 1565549024 LQTZUUYYMSHQJE-WMLDXEAASA-N 365.499 1.793 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4632239 QBLGRWTYFRDGFV-JCKWVBRZSA-N 362.382 1.361 0 40 FDAB CCOc1cc(-c2nnn(CC(=O)O)n2)cc(Br)c1OC 10336089 RLQAQRKJHIBVDT-UHFFFAOYSA-N 357.164 1.595 0 40 FDAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)o2)c(C)c1 16847879 RNGXUOPXKXXCOI-CYBMUJFWSA-N 364.427 1.716 0 40 FDAB Cc1ccc(C(=O)N2CCn3c(COCc4cccnc4)nnc3C2)cn1 2055717928 ITZMLOYVICLPEG-UHFFFAOYSA-N 364.409 1.749 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccc(F)cc2)CC1 2055708244 WOZRBXLUUBODOJ-UHFFFAOYSA-N 360.433 1.776 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3nccs3)CC2)[nH]1 2055713779 KMMLKIKRBJWDLM-UHFFFAOYSA-N 371.470 1.125 0 40 FDAB Cc1ccc(N2C[C@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1C 22664444 LPTOOXHACPJOFB-MRXNPFEDSA-N 360.458 1.040 0 40 FDAB CCOc1ccccc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 44450170 YCCVCQQIQMSSGW-UHFFFAOYSA-N 352.378 1.954 0 40 FDAB O=C(Nc1nc2ccccc2[nH]1)C1CN(c2cc(-n3ccnc3)ncn2)C1 575608335 FOEWLUAJFCVFQV-UHFFFAOYSA-N 360.381 1.614 0 40 FDAB CC(=O)OC(C)(C)C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390832188 XWTWCMAMVDHZAZ-OAHLLOKOSA-N 353.440 1.717 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H]3CCCNC3)C2)C1 12123011 OYMZQVUMGOIAEN-UTKZUKDTSA-N 371.481 1.788 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC(C)C)C2)n(C(C)C)n1 2332241572 IDWRJFNUGMMTNN-BFHYXJOUSA-N 353.467 1.710 0 40 FDAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 24753303 KUERNYSTURPNFI-UHFFFAOYSA-N 359.407 1.732 0 40 FDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Br)cc1 40088516 KXJWWBCAASAPBQ-AWEZNQCLSA-N 368.275 1.666 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F 20734040 PYBQGDIJKZQXGJ-HNNXBMFYSA-N 350.325 1.518 0 40 FDAB COC(=O)c1cn(-n2c(C)nnc2C)cc2c(=O)n(-c3ccccc3)nc1-2 101718327 YSIZVIIPLPRDAF-UHFFFAOYSA-N 364.365 1.445 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102246164 BEFORCFFPINKCM-VTPLQMEGSA-N 362.430 1.728 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3N3CCOCC3)nc2n1 2634245 VBXAPXARYALBOP-UHFFFAOYSA-N 352.398 1.830 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)c1cc(Cl)ccc1OC 6462606 SLCKBHLRUWOWMB-UHFFFAOYSA-N 354.823 1.872 0 40 FDAB Cc1ccc2nc(COC(=O)CCn3c(C)csc3=O)cc(=O)n2c1 7984888 ROYOJWYQLGQRTD-UHFFFAOYSA-N 359.407 1.668 0 40 FDAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCNc1ncccn1)(C3)C2 47106281 SECUQNAXJWYJSY-MYMYQCDVSA-N 357.458 1.480 0 40 FDAB C[C@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 103059333 RVKUQAVFGAMYNL-LNFKQOIKSA-N 364.475 1.384 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2oc(=O)ccc2c1 103604276 SAWAUXKCVFVOSI-OKILXGFUSA-N 354.362 1.907 0 40 FDAB COc1ccc(-c2nc(C)c(C(=O)N3CCNC(=O)C3)s2)cc1OC 12408528 LBJBCQOMUNDGQL-UHFFFAOYSA-N 361.423 1.708 0 40 FDAB CCc1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)o1 630647582 BOXUKTSFMSBYKN-HOTGVXAUSA-N 357.410 1.971 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cnn(Cc3ccccc3)c2)s1 105055579 YIYPCCZXAPUVQS-FRCVOOFRSA-N 367.474 1.906 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)N1 24865493 HNRYXLWTDJAMIK-UHFFFAOYSA-N 366.381 1.034 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(NN)n2Cc1ccc(Cl)cc1Cl 12580823 FTTNMJFMZIFQSR-UHFFFAOYSA-N 355.185 1.064 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nnc2ccccc21 9387553 AGUFRGFQHFVNHC-UHFFFAOYSA-N 370.365 1.874 0 40 FDAB O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cccc(N2CCNC2=O)c1 57172523 NVEVTYMVFNQFID-UHFFFAOYSA-N 374.347 1.863 0 40 FDAB Cn1cnc2c1c(=O)n(CCCN1CCCc3ccccc31)c(=O)n2C 12520655 RTCNYWWUKDUSCJ-UHFFFAOYSA-N 353.426 1.277 0 40 FDAB C[C@H]1CCN(C(=O)COC(=O)CNC(=O)C2CC2)c2ccccc2S1 47846542 HSVLCTPFDHLLCP-LBPRGKRZSA-N 362.451 1.973 0 40 FDAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1 72314015 CGQKDTILCNAKLM-UHFFFAOYSA-N 360.395 1.961 0 40 FDAB O=C(Cc1csc(Cc2ccccc2)n1)NCCCc1n[nH]c(=O)[nH]1 72306795 RPGXECRANMBJGJ-UHFFFAOYSA-N 357.439 1.437 0 40 FDAB COc1cc(C(=O)N[C@H](C)c2ccncc2)cc(OC)c1OCC(N)=O 48265014 RJTUSYZWTSVQNB-LLVKDONJSA-N 359.382 1.454 0 40 FDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 3344759 CUNISKAGCXSWLF-GOSISDBHSA-N 358.438 1.404 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F 36576038 WCWVFYSOCLGELG-PSLIRLAXSA-N 364.352 1.907 0 40 FDAB Cc1cc(Br)c(S(=O)(=O)N(CCO)CCO)cc1C 11566240 JFTLREPJJJSZRQ-UHFFFAOYSA-N 352.250 1.041 0 40 FDAB COc1cc(CNC(=O)c2nccnc2N)ccc1OCc1ccncc1 48367627 QQHLULKKMMPSGG-UHFFFAOYSA-N 365.393 1.971 0 40 FDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(N(C)C)c1 3400143 QZEHATDTKBZDCA-UHFFFAOYSA-N 356.378 1.875 0 40 FDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 49580891 HHHPYWQMMUGGEK-BLLLJJGKSA-N 356.426 1.936 0 40 FDAB O=C1COc2cc(C(=O)NS(=O)(=O)c3cccc(Cl)c3)ccc2N1 42301107 VMMJKCGGDFCSDF-UHFFFAOYSA-N 366.782 1.790 0 40 FDAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 18515559 PZSDVINRPBANBE-JTQLQIEISA-N 357.432 1.164 0 40 FDAB CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2ccn(C)n2)cc1 69982179 XEBXONRGXQVNFK-UHFFFAOYSA-N 352.416 1.588 0 40 FDAB CSCC[C@H](NC(=O)Nc1ccc(CN2CCOCC2)cc1)C(=O)O 5266813 MPYKGRVKKYXGFN-HNNXBMFYSA-N 367.471 1.847 0 40 FDAB CN(CCS(=O)(=O)NCc1ccco1)S(=O)(=O)c1cccs1 14020617 PSSWQSZYGKGRBJ-UHFFFAOYSA-N 364.470 1.081 0 40 FDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 65591474 GTNKMFZORTYOHO-HIFRSBDPSA-N 367.515 1.451 0 40 FDAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 14141322 ZNPNGOQAMHXJAZ-OAHLLOKOSA-N 354.410 1.795 0 40 FDAB CCN1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 5439178 ZDXJVCPDZSMJOS-UHFFFAOYSA-N 351.472 1.394 0 40 FDAB Cc1c(CC(=O)Nc2nnn[nH]2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8992561 VHZJPOQSPASGEO-UHFFFAOYSA-N 369.381 1.899 0 40 FDAB O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 5689441 OCRCFIFATINALS-UHFFFAOYSA-N 359.451 1.839 0 40 FDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 7216595 HHCNRUDSYIOEOO-NSHDSACASA-N 371.402 1.903 0 40 FDAB Cn1cc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cn1 15639066 GMJWMBIHFOGLKT-HVHJFMEUSA-N 354.410 1.981 0 40 FDAB COC(=O)Cn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O 7753499 FLSOMRRKMKBKEE-UHFFFAOYSA-N 363.439 1.576 0 40 FDAB CNC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 68928375 AXUCKBGCCGNJRH-LLVKDONJSA-N 354.401 1.615 0 40 FDAB O=S(=O)(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccnc1 96002630 GDDPVVBEHHXDEB-CQSZACIVSA-N 373.413 1.773 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24029799 SRGHOTYKBHLMJJ-LBPRGKRZSA-N 351.403 1.477 0 40 FDAB COc1ccc(C(=O)N2CC[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 69451988 LLDQFERCAMSIJQ-ZDUSSCGKSA-N 368.455 1.198 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 9337194 QFHHSJVPJVHKNG-UHFFFAOYSA-N 361.789 1.739 0 40 FDAB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1nccs1 97285904 BXIOVYDJHDJHDT-HNNXBMFYSA-N 353.469 1.858 0 40 FDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1 84325941 FTVYWHKINABXIM-UHFFFAOYSA-N 357.458 1.574 0 40 FDAB COc1ccc(NC(=O)NCCCN2CCCC2=O)c(Br)n1 83937333 CWVUCRBREKQJOZ-UHFFFAOYSA-N 371.235 1.987 0 40 FDAB CNC(=O)C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 96999866 XTDQSCMGRHVCNR-ZBCRRDGASA-N 373.453 1.418 0 40 FDAB Cn1c(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 74070536 LQLYPKSUHHYNJP-CQSZACIVSA-N 350.426 1.896 0 40 FDAB O=C(Cc1ccon1)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998360 IHRCAXYHIZLQDA-GOSISDBHSA-N 368.437 1.557 0 40 FDAB CN(CCCNS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccccc1 89346022 QCBDIWHVKRKOIC-UHFFFAOYSA-N 369.487 1.186 0 40 FDAB COCCN1CNC2=N[C@H](c3cccnc3)n3c(nc4ccccc43)N2C1 20638636 WSPUVOICDXGJEM-KRWDZBQOSA-N 363.425 1.621 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCc1ncccn1)CN(Cc1ccoc1)C2 306139648 TWORGBBXPZJAID-CQSZACIVSA-N 352.398 1.219 0 40 FDAB COc1ccccc1-n1cnnc1SC[C@@H](O)COC[C@@H]1CCCO1 32751045 SIPFUJIXGHUENH-KBPBESRZSA-N 365.455 1.925 0 40 FDAB Cn1nnc2c(C(=O)NCc3noc(-c4ccccc4F)n3)ccnc21 514056394 CMCYJPVIGFUYEK-UHFFFAOYSA-N 353.317 1.482 0 40 FDAB Cn1cc2c(n1)N(C(=O)c1ccccc1)CC[C@H]2NC(=O)[C@@H]1CCCO1 306124894 CBRCIZAFYMBLBI-CVEARBPZSA-N 354.410 1.807 0 40 FDAB Cn1cc(-c2ncccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cn1 529083058 WUKQQIDKFKGHPL-JXQWACKNSA-N 359.455 1.999 0 40 FDAB COc1cc(OC)cc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c1 35289974 OXECCXXDFKEVHB-UHFFFAOYSA-N 371.422 1.924 0 40 FDAB O=C1CCc2ccc(OCc3noc(C(=O)N4CCOCC4)n3)cc2N1 32092893 AKUMOJLRMQDUNN-UHFFFAOYSA-N 358.354 1.006 0 40 FDAB COc1ccc(S(=O)(=O)CCNC(=O)c2sc(C)nc2C)cc1 72403516 MYTDWQLGJCNGJD-UHFFFAOYSA-N 354.453 1.972 0 40 FDAB Cc1cc(C)nc(Nc2cccc(CC3CCN(CC(N)=O)CC3)n2)n1 72363503 CHBWOBQVXBZARS-UHFFFAOYSA-N 354.458 1.972 0 40 FDAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCCCCC1 36358553 MTTZFHKGYPEBMC-GJZGRUSLSA-N 373.519 1.336 0 40 FDAB Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(F)(F)F)c3)C2)n1 227153810 CEMCOVDJPJOBCO-SECBINFHSA-N 356.308 1.171 0 40 FDAB Cn1cccc1C(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 96083204 KWKPXBJWKWDAHQ-YSVLISHTSA-N 357.410 1.554 0 40 FDAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc[nH]3)CC2)O1 96243661 DLVBBOXZPGAWHV-HNNXBMFYSA-N 371.441 1.266 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247451343 ZYHGBFXNNVTIAA-JHJVBQTASA-N 357.439 1.209 0 40 FDAB O=C(N[C@@]1(CO)COc2ccccc2C1)c1cn(Cc2ccccc2)nn1 529818808 DEGCWWQGFHLWSU-FQEVSTJZSA-N 364.405 1.422 0 40 FDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)CCn4ccnc4)C[C@@H]32)nn1 257255209 KGOAIHJHTBTUFY-IXDOHACOSA-N 354.458 1.745 0 40 FDAB Cc1cccc(Cl)c1N1CCN(S(=O)(=O)N2CCO[C@H](C)C2)CC1 585083752 FWQHBVDHMMUZBZ-CQSZACIVSA-N 373.906 1.736 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@H]2CCOc1ncccc1F 253488785 BURWXPOBPPPZCZ-CQSZACIVSA-N 372.462 1.515 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1OC 257315836 VCYPKUWBVAXAFM-APWZRJJASA-N 359.470 1.815 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 257321264 WAWVZYAPWMIRKI-GFCCVEGCSA-N 351.414 1.885 0 40 FDAB CCc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)c1 252140018 GSDLPPZTQOCNCB-DFBDCSAJSA-N 365.426 1.370 0 40 FDAB Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257208819 BNRWCHNZFDEXIT-LJQANCHMSA-N 357.458 1.204 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)c4ccc(C)nc4)C3)ccnc12 257229784 FZLYEOICAIYHRH-AWEZNQCLSA-N 364.409 1.422 0 40 FDAB O=C(c1cccc2c1OCCO2)N1CCO[C@@H](CCc2ccncn2)C1 257337045 YRDIWIOZODSLCZ-HNNXBMFYSA-N 355.394 1.722 0 40 FDAB Cn1nccc1C1=CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1 289107767 SHKGBDNSTWPHSU-UHFFFAOYSA-N 351.410 1.389 0 40 FDAB C[C@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccco4)C3)c2)NC(=O)NC1=O 676169091 PYLMAVQXHHKVLK-DNVCBOLYSA-N 369.377 1.548 0 40 FDAB Cn1cnc2cc(C(=O)NCc3ccncc3O[C@H]3CCNC3)ccc21 685941057 PGEIDQUDUOVGFR-HNNXBMFYSA-N 351.410 1.639 0 40 FDAB Cc1c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cnn1-c1ccc(O)nn1 1261222759 WHMJNBZBMAZVBE-UHFFFAOYSA-N 364.365 1.215 0 40 FDAB CCN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@]12CCOC2 1615589741 SMAZGNGKBJODKI-IBGZPJMESA-N 371.441 1.387 0 40 FDAB Cn1cccc(C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)c1=O 390832344 YUAKMFOONKKDSJ-UHFFFAOYSA-N 374.462 1.605 0 40 FDAB Cc1cc(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)on1 585273491 RWBYWHFDGGKMMQ-VIFPVBQESA-N 365.367 1.130 0 40 FDAB Cc1ccnn1CCC(=O)N1CCOC[C@](O)(COc2ccccc2)C1 585279352 YIGDBJFYEWXCNP-IBGZPJMESA-N 359.426 1.251 0 40 FDAB CC(C)N(Cc1cccnc1)C(=O)c1nn(C)cc1CN1CC[C@@H](N)C1 685942914 SYHIJCHOHXMGQQ-QGZVFWFLSA-N 356.474 1.399 0 40 FDAB Cc1ccc(F)c(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 47346301 IPVOXRVQFVTRGX-UHFFFAOYSA-N 362.405 1.433 0 40 FDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 85558120 PODXNIKMTUKFLU-SFHVURJKSA-N 371.481 1.358 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cncc(-n2ccnn2)c1 548960579 IHUJGGLIRZQZMA-UHFFFAOYSA-N 351.366 1.406 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)O 5415536 LTLGHWWAISDESV-SCVCMEIPSA-N 369.830 1.977 0 40 FDAB CCCCCn1c(-n2nc(CC)cc2CC)nc2c1c(=O)[nH]c(=O)n2C 12518778 WORHUFQBEQXMGN-UHFFFAOYSA-N 358.446 1.924 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)NCc4cccs4)CC3)ncnc21 13534969 ADHRHNFAEVOIDJ-UHFFFAOYSA-N 372.458 1.335 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2cccs2)cc1 14049951 PXYSBUCZXQNOJQ-LBPRGKRZSA-N 368.480 1.782 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC(C)C)cc1C 16283038 HBJKRCNDXXZDTF-UHFFFAOYSA-N 372.487 1.555 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1C 17967894 KSBKGTKWFUQFHH-PHIMTYICSA-N 366.414 1.601 0 40 FDAB CN1C(=O)[C@]2(N=C(N)NC(N3CCCc4ccccc43)=N2)c2ccccc21 19339156 LYFBFFDXMCLLEJ-FQEVSTJZSA-N 360.421 1.543 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406863 VVIVPJDIFGIEBR-MROQNXINSA-N 373.379 1.983 0 40 FDAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19499101 JRMDHWOVFJKNGC-HNNXBMFYSA-N 358.442 1.528 0 40 FDAB O=C(c1cnc(N2CCOCC2)nc1)N1CCc2[nH]c3ccccc3c2C1 19657112 JDDZQHNLXJXOON-UHFFFAOYSA-N 363.421 1.993 0 40 FDAB Cn1cccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1=O 206785530 NUUVIZMPXIBHHF-GFCCVEGCSA-N 366.343 1.808 0 40 FDAB Cc1nc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)cs1 1888864356 UCKZATHWHUBGJO-UHFFFAOYSA-N 363.418 1.926 0 40 FDAB CC(=O)N1C[C@@H]2C[C@H](C)N(c3ncnc4c3nnn4-c3ccccc3)[C@@H]2C1 1888890772 POKUBDKOAJXUTA-DUVNUKRYSA-N 363.425 1.656 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccnc3C)CC2)n1 1889085223 JQJVZSNZNJNAEM-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB Cc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1I 28626118 RFPMGQHOBUEOSE-SECBINFHSA-N 373.194 1.952 0 40 FDAB Cc1nc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cs1 1565550008 MJYKEVVGTXJZIQ-UHFFFAOYSA-N 357.443 1.642 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n(N)c1=O 2455507 RYIQGDRQWYZJFW-UHFFFAOYSA-N 359.333 1.410 0 40 FDAB COc1ccccc1CCNC(=O)CSc1nc(=O)[nH]c2c1CCC2 5154256 RNBMJKSFYHQBSE-UHFFFAOYSA-N 359.451 1.718 0 40 FDAB CCc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC)cc1 9827341 PTRKMLIDSCZCLU-UHFFFAOYSA-N 362.455 1.415 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCCN(C(=O)CCF)C2)C1 2055835105 XLTYGROOIRJLIS-GOSISDBHSA-N 362.405 1.537 0 40 FDAB NC(=O)C1CCN(C(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)CC1 35592785 LCVYNUCMBARHGQ-UHFFFAOYSA-N 357.366 1.337 0 40 FDAB OCCNc1nc(N2CCOCC2)nc2c1cnn2-c1ccc(Cl)cc1 225523862 MEILCHLTJDOTKV-UHFFFAOYSA-N 374.832 1.710 0 40 FDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cn1C 50255920 YWMWOFVEWOEYLG-UHFFFAOYSA-N 368.503 1.532 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1 32895814 YOABRIJTTDROID-GHMZBOCLSA-N 357.457 1.847 0 40 FDAB CCn1c(=O)c2c(nc(SCC(=O)c3ccccc3)n2C)n(C)c1=O 887137 MERASFQLGJOACG-UHFFFAOYSA-N 358.423 1.429 0 40 FDAB CN1C(=O)[C@@](Cl)(C(Cl)(Cl)S(=O)(=O)O)C(=O)c2ccccc21 3594032 DGYVPAAOTRNBOS-SNVBAGLBSA-N 372.613 1.843 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 4968883 NIGPLAIZKZNEAE-UHFFFAOYSA-N 355.460 1.705 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 7881089 JRJTVASSOOJVRT-HNNXBMFYSA-N 352.456 1.688 0 40 FDAB C[C@@H](C(=O)NC1CCN(C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 47246479 DWDDHPSCPBWMSB-LBPRGKRZSA-N 354.447 1.731 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1[nH]c(CC)c(C(=O)OC)c1C 9428762 LZAFJHJXZTUMGE-VIFPVBQESA-N 353.375 1.063 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccnn1C 47458436 GHYYUVBWOOSWDB-MRXNPFEDSA-N 356.426 1.740 0 40 FDAB Cc1ccc(CN(C)C(=O)CSc2nc(C)c(CCO)c(=O)[nH]2)o1 24754755 QCHXHRQSKFFYGL-UHFFFAOYSA-N 351.428 1.265 0 40 FDAB O=C(NCc1cccnc1-n1ccnc1)NC[C@H]1COc2ccccc2O1 26388577 RXORCVMXCFTJKG-HNNXBMFYSA-N 365.393 1.907 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@H]1c1cccs1 35351284 HTOVFDMRHJHWCW-KRWDZBQOSA-N 363.508 1.962 0 40 FDAB COc1ccc(OCCC(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3294021 GUZZZSIEFIQCKV-UHFFFAOYSA-N 352.387 1.632 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nncn2C)C1 48278059 HCLXNLMPEKLXHY-UKRRQHHQSA-N 359.430 1.569 0 40 FDAB COc1ccc(COC[C@H](O)CNC(=O)[C@@H]2COc3ccccc3O2)cc1 58377558 JTQXNDDXCLGRNI-BEFAXECRSA-N 373.405 1.529 0 40 FDAB Cc1ccccc1NC1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 58324501 RJSQGHPSFTVCFV-UHFFFAOYSA-N 365.499 1.128 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCc1cccs1 3330295 SDFDVCRVMIGRDV-UHFFFAOYSA-N 357.391 1.355 0 40 FDAB Cc1c(Cl)cccc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12864256 UGEYCMSWEKBUJK-UHFFFAOYSA-N 358.785 1.846 0 40 FDAB CN(C)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1 3434333 IKBKIJUVLCHOHN-UHFFFAOYSA-N 353.382 1.679 0 40 FDAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)O)c1 408709808 XFJURTAOSRJTFL-AWEZNQCLSA-N 369.421 1.361 0 40 FDAB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NC(C)C 8475859 WZTUTVFMYPUBTR-UHFFFAOYSA-N 352.412 1.905 0 40 FDAB CCCn1c(SCC(=O)Nc2ccc(/C=C/C(=O)O)cc2)n[nH]c1=O 12979920 VSVXXTWALOQXNZ-VMPITWQZSA-N 362.411 1.810 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1nc2ccccc2s1 12948948 AQBIOHJTKIBUKT-UHFFFAOYSA-N 366.402 1.616 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 48759728 RRYWGAQYIXGCMJ-QGZVFWFLSA-N 372.469 1.183 0 40 FDAB CCN1CCc2c(cccc2-n2nnc(C(=O)N3CCOC[C@H]3C)c2C)C1 69653098 PVXWXEXFBBQJPP-CQSZACIVSA-N 369.469 1.815 0 40 FDAB O=C(O)Cc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 13421342 FETSFWRYRJOBGM-HNNXBMFYSA-N 357.362 1.649 0 40 FDAB COCCNC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 4085597 OJWOUQLPTRCXRW-LBPRGKRZSA-N 354.410 1.905 0 40 FDAB biogenic Cc1ccccc1[C@@H]1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 4496023 MKOBSRTZKUIXLM-CQSZACIVSA-N 367.405 1.869 0 40 FDAB O=C(O[C@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5571981 PLSSMFYHYUYGRU-AWEZNQCLSA-N 371.386 1.085 0 40 FDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)cc1 408587677 BVXSFOWPJWJGKA-CYBMUJFWSA-N 358.460 1.295 0 40 FDAB Cn1cnnc1SCC(=O)Nc1nnc(COc2ccccc2)s1 9227597 ZYAZYLJVHTUUOB-UHFFFAOYSA-N 362.440 1.976 0 40 FDAB Cn1ccc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)n1 18949057 YDLIDIVXOCLHPJ-GFCCVEGCSA-N 373.438 1.220 0 40 FDAB Cc1cc(NC(=O)CCn2[nH]c(=O)ccc2=O)ccc1Br 7327502 ZTFMRDVCKYZMHY-UHFFFAOYSA-N 352.188 1.636 0 40 FDAB CN(CC(C)(C)O)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 96000314 UIZRZJHTANCTME-HNNXBMFYSA-N 354.472 1.324 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O 7814871 HHPWZXCXRJUODN-GFCCVEGCSA-N 352.350 1.111 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3c(F)cccc3F)nc2n1 8283060 XUIOVZVTRNTBAZ-UHFFFAOYSA-N 361.308 1.815 0 40 FDAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 9302683 MYTHDDPRIDIHPS-WOCWXWTJSA-N 367.405 1.210 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2cnn3ccccc23)[C@@H]1c1ccnn1C 502333611 PHVSULBPWQZIED-CXAGYDPISA-N 352.398 1.160 0 40 FDAB O=C(c1ccccn1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761991 HKSMDPGKRXOFNR-UHFFFAOYSA-N 368.368 1.701 0 40 FDAB COc1ccccc1OCCNC(=O)[C@@H](C)n1nnc2ccccc2c1=O 80337883 DKLRMYGCXBXMSL-CYBMUJFWSA-N 368.393 1.556 0 40 FDAB COCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 223408748 QHLSLGALCNMVBK-UHFFFAOYSA-N 366.439 1.785 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)CC1 223041675 BMNLYYYFVGLAAK-UHFFFAOYSA-N 366.418 1.826 0 40 FDAB O=C(c1cccnc1O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760112 XDDMHJHCVVLBHM-UHFFFAOYSA-N 366.377 1.268 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccsc1)C2 96050187 XZERYHAVRGQEPY-IBGZPJMESA-N 370.478 1.983 0 40 FDAB Cc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)o1 96086870 BIJJTEQOELTJSN-UHFFFAOYSA-N 354.414 1.464 0 40 FDAB NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1 91964581 ZELBHHHQOZNQAA-XJKSGUPXSA-N 367.453 1.232 0 40 FDAB Cc1oncc1C(=O)N1C[C@H](C)[C@]2(CCN(Cc3cccnc3)C2=O)C1 96201725 YFOCALZBKKWLBY-DJJJIMSYSA-N 354.410 1.889 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cccnc1)C2 96110083 SZWSYVLTZJWADF-YLJYHZDGSA-N 352.438 1.584 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)no1 96145568 MSUCVJNBRGJKOC-GDBMZVCRSA-N 369.487 1.895 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 98063894 CVHPBMVWVNRGJY-UONOGXRCSA-N 359.426 1.765 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cnn(C)c2C2CC2)[C@@H]1c1cncn1C 583621183 OLRJMJCCJDCBEZ-KBXCAEBGSA-N 356.474 1.844 0 40 FDAB COc1cc(C)ccc1S(=O)(=O)N1Cc2cncn2[C@@H](CN(C)C)C1 248130647 QEHSXVUJCPVYBD-HNNXBMFYSA-N 364.471 1.507 0 40 FDAB O=C(C[C@H]1CN(Cc2ccoc2)Cc2ccnn21)NCC1CCOCC1 247863357 NPVJHOPXEZQLSV-SFHVURJKSA-N 358.442 1.966 0 40 FDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1cnccn1)C[C@H]2c1ccccc1 257292239 QKQADXALZQEFHK-BQJUDKOJSA-N 366.465 1.674 0 40 FDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)c3ncccn3)CC[C@@H]2O1 257265174 LXPZXYUJZWHTAQ-SIXWZSSISA-N 354.410 1.960 0 40 FDAB O=C(Cn1cccnc1=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257282468 OTWIONUVRXCTDX-XKQJLSEDSA-N 357.385 1.698 0 40 FDAB Cc1nc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cs1 257335345 YJTUAOSKADTXAX-OAHLLOKOSA-N 359.442 1.689 0 40 FDAB O=C(O)Cc1ccc(O[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2O)cc1 257239616 HQDHLKJZWKWRPI-IAGOWNOFSA-N 359.353 1.717 0 40 FDAB NC(=O)C[C@@H]1COCCN1C(=O)c1ccn2cc(C(F)(F)F)nc2c1 616149810 NQSZPWDDMVQRET-SNVBAGLBSA-N 356.304 1.070 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)cc1 1653951906 SWDCUTOUXGVWJN-AWEZNQCLSA-N 351.410 1.952 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccc(Br)cn2)C1 643755057 JTCVNLKAHFUYBL-HNNXBMFYSA-N 356.264 1.649 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1cccc(C)c1Br 643940406 HAHDUQJHOOLVGL-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB CCn1c(O)nc2cc(C(=O)N[C@H](c3cnn(C)c3)C(C)C)ccc2c1=O 1134484624 CUDGGGZPNOXZGS-INIZCTEOSA-N 369.425 1.983 0 40 FDAB O=C(NCCc1nc(=O)o[nH]1)[C@@H]1CCOc2ccc(Br)cc21 651926132 HGAVFZJTWUIRCC-SECBINFHSA-N 368.187 1.350 0 40 FDAB CC[C@](C)(O)CN1CC2(C1)CN(C(=O)CCc1c(C)n[nH]c1C)CCO2 1775960487 OKPJUBASTQQMAY-SFHVURJKSA-N 364.490 1.033 0 40 FDAB CCN1CCO[C@@H](CNCc2cn3cccnc3n2)[C@@H]1c1ccnn1C 1775959163 JMWCVFFABBKSRM-IRXDYDNUSA-N 355.446 1.014 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC[C@@H](O)c3cccs3)cc21 96025966 LRIWRYONDDRXEB-GFCCVEGCSA-N 368.436 1.595 0 40 FDAB Cn1ccc(CC(=O)N2CCN3C[C@@H](OCc4ccccc4F)C[C@@H]3C2)n1 585107958 MTHROLIRMQLDGP-MSOLQXFVSA-N 372.444 1.604 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102589 BBCMQZZDUMLVRS-DNVCBOLYSA-N 361.442 1.783 0 40 FDAB CO[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Cc1cccc(F)c1 585278345 CGSIWACPSGCPIS-AEFFLSMTSA-N 350.434 1.564 0 40 FDAB O=C(Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2)NC1CCCCC1 49006577 FFCQWIZQVVLDBL-UHFFFAOYSA-N 362.455 1.293 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C[C@H](O)c3cccc(F)c3)CC2)no1 51282166 WRTZBKNMYVZZLI-INIZCTEOSA-N 362.405 1.412 0 40 FDAB CCn1c(N)c(C(=O)CN(Cc2ccco2)C2CCCC2)c(=O)[nH]c1=O 53139764 XTSXOPLMRPDUKY-UHFFFAOYSA-N 360.414 1.359 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)c(C)s1 548535871 WTPQHMJXVHTARF-LBPRGKRZSA-N 354.453 1.982 0 40 FDAB O=C(c1cccc(F)c1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161131 DKXLHYPYMLAESC-HNNXBMFYSA-N 373.384 1.093 0 40 FDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6891317 VSFTUOYAOAQOFH-JTQLQIEISA-N 363.277 1.984 0 40 FDAB O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1CCCO 5040368 RSJUHPLPJMCPRA-UHFFFAOYSA-N 361.423 1.020 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc[nH]c2=O)n1 16046711 DSJPKPLNHWCZON-UHFFFAOYSA-N 352.354 1.551 0 40 FDAB CCn1c2ccccc2n2c(=O)n(CC(=O)Nc3cccc(C)n3)nc12 19524281 MXRFWCUIEOXGBG-UHFFFAOYSA-N 350.382 1.813 0 40 FDAB Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O 19750251 RBWWTZRHICYIIJ-LLVKDONJSA-N 371.441 1.205 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(F)c1)C2=O 8769170 GNVAWRQWGDHRBM-UHFFFAOYSA-N 362.405 1.561 0 40 FDAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)NC1CCCC1 5574206 MUDDJXWOWDPFST-NSHDSACASA-N 354.428 1.662 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 7021570 AALKYVVFYGHEJA-UHFFFAOYSA-N 361.373 1.516 0 40 FDAB O=C([C@H]1CN(c2ncccc2Br)CCO1)N1CCSCC1 1888850046 ZUGWIIUHILABMR-GFCCVEGCSA-N 372.288 1.625 0 40 FDAB O=C(NCC(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1)OCc1ccccc1 1888941697 BQXGFMZCPJGREX-CALCHBBNSA-N 357.454 1.856 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1)N1CCCC1 32233610 CFKSXBDLDXXGRH-UHFFFAOYSA-N 357.414 1.050 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 244986067 JDXYUHMMUJHLEB-OAHLLOKOSA-N 363.414 1.600 0 40 FDAB CC(=O)c1cc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)n[nH]1 1565548585 FSQJKWKFMFRIPQ-LALPHHSUSA-N 359.386 1.339 0 40 FDAB COC1(CC(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)CCC1 1565546056 RSKWIONVHIJBPG-UHFFFAOYSA-N 358.446 1.523 0 40 FDAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)O1 1565547147 LCZACQSZCAUWOM-LPHOPBHVSA-N 354.491 1.408 0 40 FDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(C(=O)C2(F)CC2)CC3)C1=O 1565549058 OGZFUSBCSAYIDI-GOSISDBHSA-N 365.449 1.198 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(CC(=O)N1CCCC1)C2 2055747578 JMKVDXFKIOBICL-SFHVURJKSA-N 362.499 1.093 0 40 FDAB O=C(NCC1(N2CCOCC2)CCC1)C(=O)Nc1ccc(F)c(Cl)c1 1775973394 AKOLWJSXAVMHRE-UHFFFAOYSA-N 369.824 1.789 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)ncnc21 2086865037 CHVJBCSCLMCEBJ-HUUCEWRRSA-N 364.457 1.826 0 40 FDAB Cc1cccc(NC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)c1 374821687 GBDPWNUAYVCMOD-UHFFFAOYSA-N 351.472 1.433 0 40 FDAB O=C(c1ccc(Br)o1)N1CCN(CCn2ccnc2)CC1 75158019 MTIAYFWVZVGOBX-UHFFFAOYSA-N 353.220 1.697 0 40 FDAB CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 248086854 SSBAWYYRBSCSAF-VGWMRTNUSA-N 369.506 1.508 0 40 FDAB biogenic COc1ccc([C@H](CC(=O)N2CCN(C)CC2)NC(=O)C(F)(F)F)cc1 20386560 OBRYANFMSQRTTA-AWEZNQCLSA-N 373.375 1.579 0 40 FDAB COc1ccc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101257741 MECZODGKPVYBGH-APYUEPQZSA-N 355.394 1.624 0 40 FDAB aggregator CC[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 32895869 JNQRUBJTQOYXDZ-LBPRGKRZSA-N 356.444 1.701 0 40 FDAB Cn1c(=O)c2c(ncn2CCCc2nc(-c3cccs3)no2)n(C)c1=O 21602521 BHPOXDQSDPVERJ-UHFFFAOYSA-N 372.410 1.178 0 40 FDAB CCCCN(C)S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997469 NXZCKKVWMQQWHZ-UHFFFAOYSA-N 360.457 1.174 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccc(F)cc1 2631733 XGGYAPCRIUYGRO-UHFFFAOYSA-N 362.382 1.329 0 40 FDAB O=c1c2ccccc2nc2n1-c1nonc1-n1c-2nc2ccccc2c1=O 1505454 ADYWHWWBKTYXBR-UHFFFAOYSA-N 356.301 1.448 0 40 FDAB O=C(CSc1nncs1)NC[C@@H]1CN(Cc2ccccc2)CCO1 22239241 HMJHOVGEBSJDBM-CQSZACIVSA-N 364.496 1.647 0 40 FDAB COc1ccc(NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)cc1 7580904 BHXZELXAVLPHHJ-UHFFFAOYSA-N 358.350 1.355 0 40 FDAB C[C@H](c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C 625746 XYZANEIHMIWFLG-SECBINFHSA-N 363.215 1.806 0 40 FDAB CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 659291 LOKWEVMJYNGBJT-UHFFFAOYSA-N 358.423 1.461 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)NCc1nnc2n1CCCCC2 41821147 GGBPIVLYYBTQGF-UHFFFAOYSA-N 351.410 1.747 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccccc2c1=O 8429749 QLEJLBFPDRVEJV-AWEZNQCLSA-N 365.389 1.695 0 40 FDAB CCn1ncc(S(=O)(=O)Nc2ncn(Cc3cccc(F)c3)n2)c1C 2804497 VAQSIVWFSRGTBL-UHFFFAOYSA-N 364.406 1.791 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 23743166 ADPQGJJJXVVXJD-MRXNPFEDSA-N 363.414 1.690 0 40 FDAB CN(Cc1ccsc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 24384868 OZRMXJSGOZJMDH-UHFFFAOYSA-N 369.446 1.778 0 40 FDAB CCN(CC(=O)Nc1ccccc1C(N)=O)C[C@H]1COc2ccccc2O1 52896261 ACCXMPSTMZEMLT-AWEZNQCLSA-N 369.421 1.886 0 40 FDAB O=C(Cc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635397 QCOPNVDAJBFEDJ-RDJZCZTQSA-N 352.862 1.736 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NC[C@H]3CCCO3)cc2)C1=O 19797414 URFKSIZNCSUIAN-CQSZACIVSA-N 366.439 1.298 0 40 FDAB CSCC[C@H](C(=O)O[C@@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O 3289338 BZKFGRNXEYERHW-CHWSQXEVSA-N 363.391 1.263 0 40 FDAB O=C(CCNC(=O)[C@H]1CCCN(c2ccccn2)C1)Nc1ccccn1 58217602 SYCSIORZSVYDRC-HNNXBMFYSA-N 353.426 1.838 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccccc1N1CCOCC1 48250174 ZQBTTZLGWDQMCM-OAHLLOKOSA-N 371.437 1.893 0 40 FDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCCCC2)c2ccccc21 44901446 LHHOLJZCQFQTPX-INIZCTEOSA-N 372.469 1.201 0 40 FDAB CCN(CCCO)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 72304996 KEGALJBYQYJONC-AWEZNQCLSA-N 373.375 1.997 0 40 FDAB CC(C)[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 10926749 CVPFOFNXYHCESP-SFHVURJKSA-N 351.410 1.943 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCO[C@H](C)c1ccccc1 36701008 VTQJAUIXPAMRLG-CQSZACIVSA-N 359.426 1.588 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nnc(C(C)C)s1 12765162 VOUGCCUFQKFVKI-UHFFFAOYSA-N 356.429 1.570 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 12783009 TUVUNHMQRQQDOQ-CQSZACIVSA-N 363.439 1.407 0 40 FDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)c1 13057316 QUEDBQARJOHDDL-UHFFFAOYSA-N 351.403 1.544 0 40 FDAB O=C1CCCN1C[C@H](O)CN1CCC(OCc2ccc(F)cc2)CC1 91888122 ARFHQMBPHQCZFI-QGZVFWFLSA-N 350.434 1.790 0 40 FDAB CC1=NNc2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2[C@@H]1C 8725401 DNXAGFZMVNDEJR-UTSBKAFOSA-N 364.409 1.973 0 40 FDAB O=C(O)CCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49550123 WILXOJPIUQWYLJ-UHFFFAOYSA-N 351.362 1.654 0 40 FDAB O=c1c2c3c(sc2ncn1Cc1nnnn1-c1ccccc1)CCC3 17653285 VVAITACUANJUDI-UHFFFAOYSA-N 350.407 1.971 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 13793933 LPYXIDCCWVBLIA-AWEZNQCLSA-N 354.428 1.616 0 40 FDAB COc1ccc(C(=O)NCCCNC2=NS(=O)(=O)c3ccccc32)cc1 4539252 ZNTIUTGOYMABGM-UHFFFAOYSA-N 373.434 1.554 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O 4515203 OYXJWJRKDQMNFU-APPDUMDISA-N 362.386 1.106 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc2O1 6646382 DMESURZQGYTTSX-LLVKDONJSA-N 351.156 1.935 0 40 FDAB Cc1cc(NNS(=O)(=O)c2cccc(C(F)(F)F)c2)n2ncnc2n1 8920307 XZXASSWYTCRGTO-UHFFFAOYSA-N 372.332 1.757 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976095 YCFOBXORKLGKJF-GXTWGEPZSA-N 350.415 1.365 0 40 FDAB O=C(Nc1nccs1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 15905593 MYRUJLQRUFUBIV-KOFHJDLBSA-N 357.391 1.657 0 40 FDAB NC(=O)c1ccc(CNC(=O)C2CCN(c3ccc(Cl)cn3)CC2)o1 81018739 GAVHXRRIBLEKHV-UHFFFAOYSA-N 362.817 1.960 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)CC1 8058483 KANPYOBLKQGMFX-NSHDSACASA-N 366.439 1.706 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12 8294764 ZWHRVCQBISKHQT-UHFFFAOYSA-N 368.368 1.702 0 40 FDAB COc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1Br 9366494 GYGMCKQVBYDQHD-UHFFFAOYSA-N 357.160 1.166 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1 9537182 LHTSZMVRSZODED-CQSZACIVSA-N 354.428 1.406 0 40 FDAB C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1 83967039 NCKZOGRHSOSJQA-ZFWWWQNUSA-N 364.877 1.197 0 40 FDAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20481569 ROTCLFJOKWAQJF-KRWDZBQOSA-N 367.515 1.562 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306140143 ULSDSZQHHAEPOY-DOTOQJQBSA-N 370.428 1.573 0 40 FDAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)nc1 22243199 HDQKTTRPEHGFGO-UHFFFAOYSA-N 357.414 1.190 0 40 FDAB CC1=C(C(=O)N(C)Cc2nccn2C)[C@@H](CCc2ccccc2)NC(=O)N1 67771370 QYMAAGCKOOCYFG-MRXNPFEDSA-N 367.453 1.967 0 40 FDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)cc(O)n1 548021585 LNPXERDQVSITNV-KBPBESRZSA-N 374.420 1.298 0 40 FDAB O=C1c2ccccc2N(C(=O)CN2CCOCC2)CN1c1ccccc1 31290966 VCRQLDNIOXNDMT-UHFFFAOYSA-N 351.406 1.970 0 40 FDAB in-man Cc1nccn1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O 526052331 BNLRAXSQDBEUKR-HNNXBMFYSA-N 355.398 1.213 0 40 FDAB Cc1cc(C)nc(Nc2cc(C3CN(C(=O)CN(C)C)C3)nc(C)n2)n1 72382776 KASZSCQKEUSBHV-UHFFFAOYSA-N 355.446 1.423 0 40 FDAB CCN1CCN(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)CC1 40089511 KZWQGHRNPYIZEO-UHFFFAOYSA-N 358.486 1.571 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C(=O)N(C(C)C)c2ccccc21 40286501 LLDXMDVEDYEZEE-RHSMWYFYSA-N 372.469 1.199 0 40 FDAB O=C(c1cc(Cl)c(C(=O)N2CCOCC2)c(Cl)c1)N1CCOCC1 45919951 GYZLILNMTNHJIP-UHFFFAOYSA-N 373.236 1.938 0 40 FDAB O=C(Cc1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224329064 ZLCUMGYAUSIWFM-UHFFFAOYSA-N 367.453 1.205 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2O1)NCc1cccnc1 96218646 ZIJNTSXJDUGSTF-IPMKNSEASA-N 352.438 1.772 0 40 FDAB CC(=O)NCC(=O)N1Cc2nc(COCc3csc(C)n3)oc2C1 96086741 PRWWZYITCMOBDN-UHFFFAOYSA-N 350.400 1.135 0 40 FDAB CCS(=O)(=O)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 96218085 UHRKPEWKAGQROD-CYBMUJFWSA-N 352.416 1.405 0 40 FDAB COCCn1cnc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2c1=O 96231005 URPLAPFBMMBQDH-UHFFFAOYSA-N 353.382 1.507 0 40 FDAB COCCNC(=O)[C@@H]1CCC[C@@H](NCc2nccs2)CN(C)C(=O)C1 96113444 GDQIDXOBVVYLEJ-ZIAGYGMSSA-N 368.503 1.013 0 40 FDAB biogenic,in-vitro COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2cccc3c2n(c1=O)CC3 95480824 BPXJDGBWNLYZNX-CYBMUJFWSA-N 353.378 1.990 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C[C@@H]1C(=O)O 96157058 BROWALSQFAGHPO-QGZVFWFLSA-N 373.453 1.680 0 40 FDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)s1 96218702 ZIIVXBOKGWWFTN-PBHICJAKSA-N 359.455 1.401 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 247843330 OUARJRSQPUDRLG-SFHVURJKSA-N 365.437 1.751 0 40 FDAB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N[C@H]1CSC[C@H]1O 245229042 LRSBSEDSEOGQGJ-TUAOUCFPSA-N 352.437 1.238 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ncon2)C(C)C)c1 585082008 PKQFKUPCWPTMAX-ZDUSSCGKSA-N 352.416 1.495 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 257333202 YAPUWLYROPTBIS-IBGZPJMESA-N 374.462 1.988 0 40 FDAB CN(CC(=O)N1CCOC[C@H]1CCc1cnccn1)Cc1cccnc1 257211010 BXCBTRHZBVTEMH-GOSISDBHSA-N 355.442 1.164 0 40 FDAB O=C(c1cccc([C@H]2CCCN(Cc3c[nH]cn3)C2)n1)N1CCOCC1 257311534 UJYJRPGQRFCNMV-HNNXBMFYSA-N 355.442 1.657 0 40 FDAB C[C@]12CN(Cc3ccc(Cl)cc3)C[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 1616033185 MKZVDSACFNQOKN-URLQWDBASA-N 361.873 1.756 0 40 FDAB Cn1cc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(=O)n(C)c1=O 640333667 RGRURNMSJFIUPC-DZGCQCFKSA-N 372.425 1.373 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(F)cc1Br 643944441 DLKHMDOZAUDSIP-CQSZACIVSA-N 359.195 1.695 0 40 FDAB Cc1ccccc1-c1cc(NC(=O)CN2CCCC[C@H](O)C2=O)n(C)n1 644379321 OZPNIIQIODKLDE-INIZCTEOSA-N 356.426 1.707 0 40 FDAB CO[C@@](C)(C(=O)O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 663026149 MMODZANAXAYKTM-OAHLLOKOSA-N 360.332 1.844 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575402940 FUPYOEHXMMTUDV-INIZCTEOSA-N 354.472 1.878 0 40 FDAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1 585111038 BCMZHDXCFIYVRK-INIZCTEOSA-N 368.437 1.930 0 40 FDAB COCCOCC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111190 ILBJQLOJWPDLHG-KRWDZBQOSA-N 359.426 1.324 0 40 FDAB Cn1cc(NC(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)c(C(N)=O)n1 1535992173 LZJLYEXDXIHSFF-UHFFFAOYSA-N 361.365 1.661 0 40 FDAB Cc1ccc(S(=O)(=O)N(CCC(=O)NCCO)c2ccccc2)cc1 98067215 YEFCLGQTOHANPY-UHFFFAOYSA-N 362.451 1.689 0 40 FDAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16576516 FMIAEPPSNNRGTK-JTQLQIEISA-N 364.851 1.120 0 40 FDAB CN1CCCC[C@H]1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 19659454 DNWYAXJNYZWJLX-HNNXBMFYSA-N 353.488 1.428 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3sc(Cl)cc3C2)CC1 575615445 FTBBWNYQVRROPH-UHFFFAOYSA-N 362.904 1.958 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1 31578928 YVAPKQXHENLFBW-UHFFFAOYSA-N 353.426 1.968 0 40 FDAB COCCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 6939875 HQDKPKOUYHQIBS-UHFFFAOYSA-N 350.440 1.613 0 40 FDAB 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Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)[C@@H]4CCOC4)C2)CO3)cn1 1565554362 YKJNAKIKRZABJV-FOIQADDNSA-N 353.422 1.986 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3Cc4nc(N5CCCC5)ncc4[C@@H]3C2)c1=O 1565544943 VIEQBLPURLWISJ-CZUORRHYSA-N 365.437 1.187 0 40 FDAB CC1CC(C(=O)N2CC[C@H]3C(=O)N(Cc4ccncc4)CCO[C@H]3C2)C1 1565548540 DUWWYOSZEILHNS-SYNTWQANSA-N 357.454 1.704 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2cccc(C)c2)c(=O)c3=O)cc1 8849254 GGRFIEHQCHUDET-UHFFFAOYSA-N 364.405 1.922 0 40 FDAB CCOC(=O)CCNC(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9039891 CMRUCDKWBLZHLD-LBPRGKRZSA-N 351.378 1.431 0 40 FDAB CCOc1ccnc2c1c(=O)n(CC(=O)OCc1ccccc1)c(=O)n2C 9571928 ZMLUBKWOIGLUAI-UHFFFAOYSA-N 369.377 1.237 0 40 FDAB COc1ccc(C)cc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 13700304 FGEDBHSXUNTDIT-UHFFFAOYSA-N 367.413 1.795 0 40 FDAB O=C(CC1CC1)N1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713251 NLCXOBXDVJAXIZ-UHFFFAOYSA-N 356.426 1.910 0 40 FDAB CCn1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)cn1 2055718390 QGMQVELTKXPYLJ-UXHICEINSA-N 355.486 1.816 0 40 FDAB O=C(CC1CC1)NC[C@H]1CCC[C@]2(CCN(C(=O)C3CC(O)C3)C2)O1 2055819414 KSHPPKDKLHHNKT-YBSITQRDSA-N 350.459 1.214 0 40 FDAB O=S(=O)(/C=C/c1ccccc1)NCC1(OCCO)CCSCC1 1775971213 YBMOYJWYMYBYEN-AWNIVKPZSA-N 357.497 1.851 0 40 FDAB COc1c(C)cnc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)c1C 2086861037 ADGXYZQUZTVCSM-MRXNPFEDSA-N 365.499 1.483 0 40 FDAB Cn1ccc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1=O 2298041631 ADMULRPLXQDMPC-HNNXBMFYSA-N 353.413 1.855 0 40 FDAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@H]1CCCO1 2298109323 NSVMYFVGHWGORD-LSDHHAIUSA-N 373.444 1.251 0 40 FDAB CCS(=O)(=O)NCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 31222250 HIHFIMGMJKCMQX-UHFFFAOYSA-N 362.835 1.170 0 40 FDAB O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32072128 KIEJKKXMQWZRSN-MRXNPFEDSA-N 350.426 1.700 0 40 FDAB O=C(O)CNC(=O)CNC(=O)Cc1csc(-c2ccccc2Cl)n1 20739084 IWYFXOVIXKVKLC-UHFFFAOYSA-N 367.814 1.323 0 40 FDAB CCN(CC)CCCNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O 101703047 MATQINPLCNMZMO-UHFFFAOYSA-N 371.485 1.148 0 40 FDAB C[C@@H]1C(=O)N(CC(=O)NC[C@@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 21269589 SOAKFBUCUXZIAB-RISCZKNCSA-N 365.817 1.792 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102085583 ZJTNIJBTGKXQIH-IYVPYFHTSA-N 359.353 1.583 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)N1 21473616 QRTJGXRCPFTTBO-UHFFFAOYSA-N 354.410 1.691 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccc(F)c(F)c2F)c(=O)c1C(N)=O 32859777 LHXHZVWBZBBTHN-UHFFFAOYSA-N 353.300 1.620 0 40 FDAB C[C@H](C(=O)c1ccc(OC(F)F)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 1095678 YWTYNILPGZYHEN-MRVPVSSYSA-N 364.308 1.469 0 40 FDAB CN1C[C@H](NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CCC1=O 78840578 ZRFNWTNFDFVFSV-QGZVFWFLSA-N 357.454 1.844 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(C)o2)NC(=S)N[C@]1(O)C(F)(F)F 4192794 TYGJYWAOSBTOMZ-VDDIYKPWSA-N 352.334 1.537 0 40 FDAB CCCN(CN1C(=O)NC2(CCCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 22014620 HGGBWJQQAVSPRV-CQSZACIVSA-N 371.503 1.488 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(N2CCOCC2)nc1 22428279 DIIXRIGXAQMAFC-UHFFFAOYSA-N 351.370 1.146 0 40 FDAB CC(=O)Nc1nc(Cn2c(S(C)(=O)=O)nc3ccccc32)cs1 22865728 KDTSQZWVCDCDFM-UHFFFAOYSA-N 350.425 1.903 0 40 FDAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 22914424 WGRLJDYRWRDKFQ-IRXDYDNUSA-N 372.513 1.191 0 40 FDAB COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccccc3)C2=O)c1 24086888 WYXIESVUCHIOFA-QRWLVFNGSA-N 370.405 1.902 0 40 FDAB Cc1noc(C)c1CC(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 21493680 GPGKIJMBZNYBFK-UHFFFAOYSA-N 352.412 1.828 0 40 FDAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCC(c2ccccc2)=N1 106762936 JHPKCXRGBNHINM-NJAFHUGGSA-N 354.454 1.741 0 40 FDAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1N1CCOCC1 12533477 ILJYFDZUFSSUKX-UHFFFAOYSA-N 360.443 1.575 0 40 FDAB Cn1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 25306964 MBUDOBWUUWDWOI-NSHDSACASA-N 354.457 1.521 0 40 FDAB CCCn1c(O)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 12533628 DVQBIHOIHSTWBZ-UHFFFAOYSA-N 361.471 1.835 0 40 FDAB COc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408619 ANDPXSQZOZVBOZ-DLBZAZTESA-N 366.483 1.556 0 40 FDAB COC(=O)c1ccc(CSC2=NN3CCS(=O)(=O)N=C3S2)cc1 3268344 SFTDKIFDYFYMSV-UHFFFAOYSA-N 371.465 1.726 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c([C@]3(O)C(=O)Nc4ccc(F)cc43)c2N)n1 3254031 GPMRWLZQHCWMJX-SFHVURJKSA-N 368.372 1.497 0 40 FDAB COc1cccc(CC(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1 58190820 KYHLCCYBQXVVOL-UHFFFAOYSA-N 358.398 1.910 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OC[C@H]3CCCCN32)cc1 58160529 VIEJIVVLDKMNMZ-HZPDHXFCSA-N 360.410 1.972 0 40 FDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3380523 RRSUJIILTFVQBP-UHFFFAOYSA-N 369.324 1.817 0 40 FDAB CCN(CC)C(=O)C1=CC(c2cccc(OC)c2)=NS(=O)(=O)N1C 20467482 ZGLAYNZHNWQWCL-UHFFFAOYSA-N 351.428 1.427 0 40 FDAB COc1ccc(C[C@@H]2CCCN2CC(=O)NC2CCN(C(C)=O)CC2)cc1 59406131 ALSGEHGDGKOFHF-IBGZPJMESA-N 373.497 1.829 0 40 FDAB CN1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 48325277 JGLYDRZXIKLHIX-IBGZPJMESA-N 367.449 1.697 0 40 FDAB CC(C)(CNC(=O)c1ccc(-c2ccccn2)[nH]c1=O)N1CCOCC1 48325678 FZZYLOSMTHCYAG-UHFFFAOYSA-N 356.426 1.278 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)C1=O 48310153 OJFZSMAPWUWKCC-OXQOHEQNSA-N 370.453 1.890 0 40 FDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 3441951 OIXRLGLBVYAZHL-ZDUSSCGKSA-N 352.412 1.632 0 40 FDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(OC)nc1 12922809 JGAQLXQGBQDQRC-UHFFFAOYSA-N 371.393 1.962 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CC2CCCC2)CC1 12908033 TUOIMWIDQORPKN-CYBMUJFWSA-N 361.494 1.305 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 13095815 OJQNYDPUEYKYOS-ZACCUICWSA-N 364.423 1.724 0 40 FDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13007102 QUBZWLZDMXUHJW-VXGBXAGGSA-N 368.411 1.248 0 40 FDAB COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 4145289 HRXJCJCATKPSHE-YOEHRIQHSA-N 357.410 1.667 0 40 FDAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc2c1OCCO2 8985395 JBTXFEDQYSVUQC-UHFFFAOYSA-N 356.382 1.219 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 9691485 UNJYOXUAKSJJMI-LLVKDONJSA-N 352.334 1.948 0 40 FDAB O=CN1CCN(c2ncc3c(n2)C[C@H](c2ccccc2F)CC3=O)CC1 5274307 JXPYUCWGGICQIS-ZDUSSCGKSA-N 354.385 1.807 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 9604297 UUQWDYYMTPHRNH-UHFFFAOYSA-N 369.425 1.326 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)[C@@H]3COc4ccccc4O3)nc2s1 5321316 UHENJJRFSREHES-ZDUSSCGKSA-N 373.390 1.597 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1c1nc(C(F)(F)F)nc2ccccc12 9606220 GYZLXRAJECSNCT-LLVKDONJSA-N 368.315 1.517 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC[C@H]1c1cccs1 9112808 OVSBBVQERLHYGL-AWEZNQCLSA-N 355.423 1.854 0 40 FDAB O=C1[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CN1c1ccccc1 96008909 AQAPODGKGYPIJW-OAHLLOKOSA-N 374.418 1.542 0 40 FDAB O=C(COc1ccccn1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5984031 SRAPCOFNOGCMOI-MRXNPFEDSA-N 360.435 1.676 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 7047856 UYWGNINDMDMFFL-CYBMUJFWSA-N 373.409 1.197 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCCC[C@H]2C)c(=O)[nH]c1=O 7525028 WQEWKERAESHGDD-CYBMUJFWSA-N 365.478 1.146 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 8086935 GKGYCQDBDQFSDW-LRDDRELGSA-N 350.440 1.378 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)c1 69242889 AGYXVPLXSRPBIY-MRXNPFEDSA-N 361.442 1.554 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccccc3c2=O)CC1 22234465 DMZIXPQAZKOLFC-UHFFFAOYSA-N 357.410 1.936 0 40 FDAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 8328023 OSJHEMRUWSYBRV-IBGZPJMESA-N 374.441 1.811 0 40 FDAB O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 97009897 CUWQKZRVZVHIPQ-OAHLLOKOSA-N 351.834 1.602 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1N1CCCC1=O 20455905 HCZQUEAFHDGKNK-UHFFFAOYSA-N 350.396 1.894 0 40 FDAB Cc1nn(C)c(C)c1CCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 97358789 LHPDSWCCPHADOE-UHFFFAOYSA-N 355.446 1.750 0 40 FDAB O=C(c1ccccc1)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 95998333 UIGDOXICSQQDFD-LJQANCHMSA-N 371.481 1.614 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OC)C1=O 408549816 ZPSMBOALRQTJCV-UXBLZVDNSA-N 369.171 1.523 0 40 FDAB CNC(=O)c1cccnc1N1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 548334440 MTNZCJLQGXLHJQ-QGZVFWFLSA-N 359.455 1.448 0 40 FDAB COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408597688 VUWCPSWZCFIDHM-WEVVVXLNSA-N 355.144 1.435 0 40 FDAB COc1cc2ncn(CCC(=O)Nc3nccs3)c(=O)c2cc1OC 32095710 GIRRPTXDGCLGLN-UHFFFAOYSA-N 360.395 1.899 0 40 FDAB O=S(=O)(NC[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1Cl 657087308 XZNIGCDYVMLRSZ-ZDUSSCGKSA-N 370.254 1.440 0 40 FDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 49605852 CCWTYDALPMNXFE-LJQANCHMSA-N 371.481 1.746 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3O2)C1 225807725 WNYKTBLVRIOVCD-DOMZBBRYSA-N 357.366 1.305 0 40 FDAB CN(C)S(=O)(=O)CCC(=O)N1CCN(CC2CC2)c2ccccc21 137377769 MRUIXEXVZIGLDC-UHFFFAOYSA-N 351.472 1.531 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4ccco4)C3)C2)cn1 96225943 FAVBLMFAUPNMRJ-SFHVURJKSA-N 369.381 1.055 0 40 FDAB Cc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@@H]2C1 96216999 OIDZQMWNYUKJRE-RRFJBIMHSA-N 351.472 1.290 0 40 FDAB COC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)N1S(C)(=O)=O 96209356 UOEISLPMHXYLIV-MRXNPFEDSA-N 353.488 1.487 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 96036094 JGUYLAXRYIGMTN-QGZVFWFLSA-N 365.503 1.227 0 40 FDAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCCCC1 95929439 LZQYBPCYLORLKF-UHFFFAOYSA-N 357.428 1.594 0 40 FDAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(N)c1 96518238 RTBXYQBBBAJVCW-SECBINFHSA-N 373.599 1.824 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(F)cc1 243544083 OGKUAAAQMHKAOL-UHFFFAOYSA-N 350.415 1.904 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(CC1CCOCC1)C2 248119879 JSNIALGDSVMPMR-QGZVFWFLSA-N 361.486 1.663 0 40 FDAB O=S(=O)(C1CC1)N1Cc2cncn2[C@@H](COc2ncccc2F)C1 247298800 DMAPQSKHBRRIBH-GFCCVEGCSA-N 352.391 1.345 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2cnn(C)c2)C3)nc1 248099191 DKLSMSUSERLPAP-OAHLLOKOSA-N 356.430 1.252 0 40 FDAB CCC1(N2CCOCC2)CCN(C(=O)NCc2noc(C3CC3)n2)CC1 585123228 HJFBEGVYMFAIRV-UHFFFAOYSA-N 363.462 1.733 0 40 FDAB CC(C)(C)c1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)[nH]n1 257240811 HVHIOCKSICQUKP-XNRPHZJLSA-N 350.463 1.051 0 40 FDAB Cn1c(CN2CCO[C@H](CCc3cc(O)ncn3)C2)nc2ccccc21 257337221 YRXTXLXPCPMQAY-OAHLLOKOSA-N 353.426 1.903 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCCc2ccncc2)cn1 257200319 ACVYRWPTHDMNRC-UHFFFAOYSA-N 363.421 1.876 0 40 FDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccnc(N3CCCC3)n2)n1 257243592 IHRHGMJCTBSKLE-MRXNPFEDSA-N 356.430 1.454 0 40 FDAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ccccn2)[C@@H]1O 257331418 XSTUEMWPAKIIDM-MYFFOXHASA-N 360.385 1.593 0 40 FDAB Cn1cnc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1=O 635468180 VUDHCTJHQSCDLR-UHFFFAOYSA-N 364.409 1.585 0 40 FDAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cnn(Cc2ccccc2)c1 1615553716 UMMCNGLXIWSKNA-UFYCRDLUSA-N 366.465 1.942 0 40 FDAB CCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1764395862 XJBMKJJSNSHVLO-OAHLLOKOSA-N 374.489 1.402 0 40 FDAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)c1cccnc1)c1ccccc1 96025538 OLVOIVBGIWPGPW-AWEZNQCLSA-N 366.464 1.709 0 40 FDAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2cn(C)c3ccccc23)C1 585281393 WZWYKSIDNCGSND-LJQANCHMSA-N 359.426 1.172 0 40 FDAB CO[C@H](CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O)C1CCCC1 585097985 FPHAXSWYOVYNJH-BEFAXECRSA-N 359.426 1.758 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CN1C[C@@H]2[C@@H](CCC[C@]2(O)c2ccc(F)cc2)C1 57796837 QXVOYZVKASRLFL-ZLXGRDSLSA-N 373.428 1.630 0 40 FDAB CC1(C)COC[C@H]1NC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 516910071 IZTDPIBSYIHYGI-CQSZACIVSA-N 359.492 1.011 0 40 FDAB O=C(c1csnn1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153410 CUEYCFPFSFUZAS-MRXNPFEDSA-N 362.386 1.325 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 1629001157 COFXXGFBDNEJHY-OAHLLOKOSA-N 359.451 1.949 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)CSc2nc(N)cc(N)n2)c1C 5939926 GNSXHLYFLJHHGR-UHFFFAOYSA-N 360.443 1.105 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 14607437 SPFVQORJZWVGPZ-DLBZAZTESA-N 358.438 1.632 0 40 FDAB CC(C)n1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cn1 19454913 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358.479 1.813 0 40 FDAB Cn1cccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 77184074 MSSNSDNFZKXNKN-CYBMUJFWSA-N 371.315 1.712 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1 40050409 RFMPRISNVWZCOO-UHFFFAOYSA-N 370.362 1.485 0 40 FDAB COC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 30593039 PBJZXPQEXMTXMS-UHFFFAOYSA-N 366.370 1.529 0 40 FDAB O=C(CCC(=O)Nc1ccc(Cl)cc1)NCCCN1CCOCC1 20146363 UKJXQAWWPRNQKN-UHFFFAOYSA-N 353.850 1.897 0 40 FDAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 31276286 BDLDFLWKIWSSFL-AWEZNQCLSA-N 358.394 1.962 0 40 FDAB Cc1cc(=O)c(C(=O)NCCC(=O)N2CCCC2)nn1-c1ccccc1F 32768737 RCBJZPZBORRXED-UHFFFAOYSA-N 372.400 1.422 0 40 FDAB Cc1cccc(NC(=O)CN2C(=O)C(=O)N(CC(F)(F)F)C2=O)c1C 32777525 PCMNPBKCQQGOJM-UHFFFAOYSA-N 357.288 1.595 0 40 FDAB CCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1OCC 32870598 XISLAKDBDXTAPD-UHFFFAOYSA-N 361.398 1.740 0 40 FDAB O=C1CN(C(=O)c2cccn(Cc3ccccc3)c2=O)[C@H]2CCCC[C@H]2N1 79102455 BYEWCFAZLRURLJ-MSOLQXFVSA-N 365.433 1.780 0 40 FDAB O=c1n(CN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3ncn12 57730973 LPMQUZXRZFRWPY-UHFFFAOYSA-N 374.448 1.820 0 40 FDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)NCc2cccnc2)C1 107264467 SSPWAVYIYWEEAC-JFIYKMOQSA-N 356.426 1.592 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 118915307 AODPIQQILQLWGS-NMNUQJTMSA-N 366.498 1.653 0 40 FDAB in-vitro CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(=O)n(C)n1 58691306 KOPFZIZMDTWXLB-UHFFFAOYSA-N 354.179 1.954 0 40 FDAB O=C(NCC(=O)N1CCN(C(=O)N2CCCCC2)CC1)c1ccccc1 24502177 OOAJXLQMUZEAIH-UHFFFAOYSA-N 358.442 1.167 0 40 FDAB O=C(NCCNC(=O)c1cccnc1OCC(F)(F)F)c1ccco1 24789644 HHFPGDOPEPLNGS-UHFFFAOYSA-N 357.288 1.776 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H](ON2C(=O)c2ccccc2)[C@@H]2[C@@H](C)C(=O)N21 105488715 IGNFLHPTHATALL-DMRZNYOFSA-N 371.393 1.949 0 40 FDAB CCOC(=O)c1sc(NC(=O)Cn2nnc3ccccc3c2=O)nc1C 1328187 HEEYAWUFAIUKRA-UHFFFAOYSA-N 373.394 1.372 0 40 FDAB COc1ccc(NC(=O)COC(=O)CSc2nnc(N)s2)cc1 3332046 XBZVVKSEYGSRHG-UHFFFAOYSA-N 354.413 1.403 0 40 FDAB COC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC(C)CC1 58227469 BHDGDUXBDVHOLD-SHBDPFAUSA-N 350.459 1.873 0 40 FDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1 58457613 UXZYEYZPVZZESY-SNVBAGLBSA-N 367.851 1.819 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3C2)cc1 67897481 WPDIDYKFQDLMAB-MSOLQXFVSA-N 367.405 1.342 0 40 FDAB biogenic,in-vitro C[C@H]1CN(C(=O)C2CCN(Cn3c(=O)oc4ccccc43)CC2)C[C@@H](C)O1 45801744 RVGUAIHHMLJMSZ-GASCZTMLSA-N 373.453 1.900 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccccc2)c(=O)[nH]c1=O 3407556 BSJVQCGCMYTOCD-VAWYXSNFSA-N 356.426 1.985 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccco2)cc1 3451743 XHXYSOQRAJCBAT-UHFFFAOYSA-N 365.411 1.223 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccco1 62521591 RDUADCDROJKWCB-OAHLLOKOSA-N 356.426 1.816 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC(=O)NC1CCCC1 3516739 PJTVWEDDGZBVMT-LJQANCHMSA-N 370.409 1.148 0 40 FDAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cnc2n(c1=O)CCS2 12996835 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306132778 LRZUHOLJVFBYTN-GZBFAFLISA-N 361.471 1.062 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(C(C)=O)c1 22759886 SSNMTJJYYRHTRP-SFHVURJKSA-N 372.446 1.751 0 40 FDAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F 31811951 AGZOKHPEBQCMNA-MRXNPFEDSA-N 364.352 1.908 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217532726 AXFZPHBFMADBJR-NSHDSACASA-N 368.411 1.903 0 40 FDAB COc1ccc(CCCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36217351 YHSPPMVIKCNUKZ-UHFFFAOYSA-N 370.456 1.416 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1 70639340 IOYXSZQCKIDJKS-CQSZACIVSA-N 351.424 1.586 0 40 FDAB CCOC(=O)[C@H]1C(=O)CN2CCc3c([nH]c4ccccc34)[C@]12C(=O)OCC 73258313 FGPODTSCBRPJFL-UZLBHIALSA-N 370.405 1.546 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3Cl)ccc21 49550533 NFLPRFGWEWCWHM-UHFFFAOYSA-N 372.812 1.785 0 40 FDAB C[C@@H]1N=Cc2c([nH]c(=O)n(C)c2=O)N1C(=O)c1ccc(OC(F)F)cc1 226820467 RHIRASSOECVFEY-MRVPVSSYSA-N 364.308 1.100 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1 40069403 DXBQNBQGDNLBIO-UHFFFAOYSA-N 363.439 1.002 0 40 FDAB COc1ccc(-n2nc(C(=O)NC[C@@H]3CCN(C(C)=O)C3)cc2C)cc1 576931806 ZQHPHDZDYQYPGO-HNNXBMFYSA-N 356.426 1.788 0 40 FDAB Cc1nnc([C@]23COC[C@H]2CN(C(=O)c2cn(C)c4ccccc24)C3)o1 96220120 QNTBSLMBAQKKKJ-BFUOFWGJSA-N 352.394 1.910 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccc(C)n(C)c2=O)n1 257277881 NZWNSBCMQWVGSM-CQSZACIVSA-N 357.414 1.048 0 40 FDAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c(OC)c1 260892713 DUWZXMOAAPDXOW-GFCCVEGCSA-N 358.460 1.631 0 40 FDAB COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cc(C)n1 1775957079 BRMWNDJTMILNGJ-KGLIPLIRSA-N 357.414 1.539 0 40 FDAB COc1cccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cccnc3)CC2)c1 94992920 PSFXBVJXYVLNAD-HNNXBMFYSA-N 368.437 1.557 0 40 FDAB CCC[C@@H](C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1)S(N)(=O)=O 618352719 UTYFMOBOCXBHGW-IRXDYDNUSA-N 367.515 1.219 0 40 FDAB CO[C@@H]1CN(C(=O)COc2cccc3ccccc23)C[C@H]1c1cnn[nH]1 622170836 OXDZAJKREJVPDN-MAUKXSAKSA-N 352.394 1.978 0 40 FDAB O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N[C@H]1CCN(C2CCC2)C1=O 624217640 BEJBDVLHDVMODZ-YOEHRIQHSA-N 360.433 1.857 0 40 FDAB CN(CCO)S(=O)(=O)c1ccccc1CN[C@H]1CCCn2ccnc21 655730246 NTXTXJVBXGLWOE-HNNXBMFYSA-N 364.471 1.121 0 40 FDAB CC(=O)NC[C@@H]1CN([C@@H](C(=O)O)c2ccccc2Br)CCO1 659787381 HFISHJWAMKVIDJ-BXUZGUMPSA-N 371.231 1.412 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 585112896 XYOHAZUYXWANFI-QGZVFWFLSA-N 363.487 1.473 0 40 FDAB O=C(c1ccco1)N1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 585112047 HOHPWBSINDHSBR-ZDUSSCGKSA-N 364.427 1.145 0 40 FDAB COCCn1ccc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)n1 585099035 FITLTXURPYHKFO-INIZCTEOSA-N 359.430 1.177 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CC[C@@H](Nc4ncccn4)C3)[nH]2)CC1 685942544 SJHIXLXKRKUMOQ-CQSZACIVSA-N 355.446 1.336 0 40 FDAB CCOC(=O)O[C@H]1[C@@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 5201863 GBCMJKZDSFXSIL-RDGWLKQMSA-N 354.355 1.375 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccc4c(c3)OCCO4)C[C@H]21 12120007 SKLHAQVZOIBIQR-HIFRSBDPSA-N 367.405 1.652 0 40 FDAB CCn1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 12142568 BSODFVVSRADHLY-MAUKXSAKSA-N 354.458 1.791 0 40 FDAB COc1ccc(CC(=O)NCc2nc(-c3cccnc3)n[nH]2)cc1OC 12144610 JMHJHNZTGKXFCU-UHFFFAOYSA-N 353.382 1.743 0 40 FDAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O 12529630 IQIYJFNACXICEA-OVYGPGRDSA-N 365.405 1.286 0 40 FDAB biogenic,in-vitro COc1ccc(Cl)cc1C(=O)Nc1ccnc2c1c(=O)n(C)c(=O)n2C 13011020 PFVRNHSLJKYHGH-UHFFFAOYSA-N 374.784 1.547 0 40 FDAB C[C@@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)N1CCOCC1 19080236 MIDDQQWVXPCHCY-HNNXBMFYSA-N 369.469 1.659 0 40 FDAB COCCCN1C[C@@H](C(=O)N(C)C[C@@H]2OCCc3ccccc32)CC1=O 19585986 BSVOQLWUQUQKJS-WMZOPIPTSA-N 360.454 1.644 0 40 FDAB CC(C)C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694969 IRPPFGYTBRMZGH-HNNXBMFYSA-N 356.430 1.556 0 40 FDAB O=C(c1ccc2c(c1)OCCO2)N1CCc2nnc([C@H]3CCCN3)n2CC1 19706515 JJHDZAQVNGHRTB-CQSZACIVSA-N 369.425 1.172 0 40 FDAB CN=c1ncc(C(=O)N2C[C@@H](OC)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 643587433 DWPSGATXKGLSEO-WRWLIDTKSA-N 368.437 1.354 0 40 FDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)c3cnc[nH]3)C2)nn1 1888869420 LEOUMHCUZCLJDD-GFCCVEGCSA-N 365.459 1.587 0 40 FDAB Cc1cc(OC[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ccn1 1776001189 DDFTVAHFIHEATF-CQSZACIVSA-N 350.444 1.603 0 40 FDAB CC1CCN(C(=O)[C@@]23CCO[C@@H]2CCN(C(=O)c2csnn2)C3)CC1 1614935717 WRZLFHDWHBCZEB-RHSMWYFYSA-N 364.471 1.418 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@]2(CCN(C(=O)[C@@H]4CCOC4)C2)CO3)cn1 1565554365 YKJNAKIKRZABJV-QRWLVFNGSA-N 353.422 1.986 0 40 FDAB Cc1ccn2c(=O)nc(SCC(=O)NCCc3ccccc3)nc2c1 4503882 YVKFIDRUYXHGIJ-UHFFFAOYSA-N 354.435 1.849 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NC(=O)C1CCOCC1)CC2 2055745647 PZNXRTURKZSAIU-ZDUSSCGKSA-N 373.409 1.598 0 40 FDAB O=C(C[C@H](NCCN1CCOCC1)C(=O)O)Nc1ccc(Cl)cc1 19938604 DMKZAWAACICIQX-AWEZNQCLSA-N 355.822 1.044 0 40 FDAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1 23135736 FBIJIKGKJWWFMZ-UHFFFAOYSA-N 374.466 1.944 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206905704 DITYMTJATBRGFR-ONEGZZNKSA-N 351.370 1.012 0 40 FDAB CN(c1cc(C(F)(F)F)ncn1)C1CN(c2ccc3nncn3n2)C1 585592806 SSBQMWHZPFVKCA-UHFFFAOYSA-N 350.308 1.258 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCO2 40039069 CXWCTTBZFTWDCG-CQSZACIVSA-N 369.425 1.841 0 40 FDAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1 20510438 AWCARUJMXUYUSS-UHFFFAOYSA-N 363.439 1.738 0 40 FDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102403558 NNKUMMYCKDGKMD-GJZGRUSLSA-N 358.394 1.977 0 40 FDAB COc1ccc(NC(=O)N[C@@H](C)CN2CCCCC2)cc1-n1nnnc1C 102542318 DGKFXKJCAXCLDO-ZDUSSCGKSA-N 373.461 1.975 0 40 FDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)CC1 32901453 BMEWVVWNLIONPZ-UHFFFAOYSA-N 367.409 1.841 0 40 FDAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1cc(C)ccc1C 4569037 YSVLWEZRMAGNEW-ATIWLJMLSA-N 365.426 1.424 0 40 FDAB OC[C@@H]1O[C@H](n2ccc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 4775766 XAYGKALBZYZZRV-BORJPKMPSA-N 373.434 1.335 0 40 FDAB CC(C)CCNC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 6368380 OWRNJMBPQYJBIU-ACJLOTCBSA-N 367.446 1.193 0 40 FDAB CCOC(=O)[C@]12CC[C@@](C(=O)OCC)(CC13OCCO3)C1(C2)OCCO1 104153188 VQFWJRLZWUTYHC-IYBDPMFKSA-N 370.398 1.159 0 40 FDAB N=C(N)NC(=N)Nc1ccc(-c2ccc(NC(=N)NC(=N)N)cc2)cc1 8614414 IIWFFCZNXIUDNS-UHFFFAOYSA-N 352.406 1.013 0 40 FDAB O=C(NCCNC(=O)[C@H]1COc2ccccc2O1)c1c[nH]c2ccccc12 12391547 OMNIXHIDVZEGEA-GOSISDBHSA-N 365.389 1.854 0 40 FDAB CCC(CC)NC(=O)COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 23584744 MEHZPFHGISLIOH-UHFFFAOYSA-N 367.446 1.335 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccnc1N1CCCC1 23763005 ZLUSQPCSWGPLQC-UHFFFAOYSA-N 374.422 1.638 0 40 FDAB C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCS(=O)(=O)C1 24448212 XGIMVNZTOYOCSO-BZNIZROVSA-N 370.858 1.386 0 40 FDAB COc1ncc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 100121149 QUUYWUJHNLPWBQ-RHSMWYFYSA-N 368.441 1.374 0 40 FDAB COc1ccc(Cl)cc1CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24680804 BOIAMUHZEXRAFH-AWEZNQCLSA-N 374.890 1.821 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420671 HSGRKWCSKYMMPD-QOIOWGMHSA-N 374.437 1.673 0 40 FDAB CCc1nc2ccccc2n1CC(=O)OCc1nc(N)nc(N(C)C)n1 10535264 IICOXLFSJYZFIM-UHFFFAOYSA-N 355.402 1.175 0 40 FDAB CCCN1CCc2c(sc3c2c(NCCN(C)C)nc2nnnn23)C1 2328666 NDYIDNSQDRRZCJ-UHFFFAOYSA-N 360.491 1.476 0 40 FDAB Cc1cc(=O)n2nc(NC[C@H](CC(C)C)N3CCOCC3)sc2n1 12886011 ZUDVYIXUWSQIOC-ZDUSSCGKSA-N 351.476 1.618 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 92562100 VKRFWMYWSFIDAQ-UPJWGTAASA-N 358.410 1.609 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc(Cl)cc1 39983223 QRRKVFMGYUPDBG-CYBMUJFWSA-N 363.888 1.755 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCC4)C3=O)n2)cc1 5298150 SCJSGGLULSVENC-UHFFFAOYSA-N 367.413 1.870 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 8969494 MIARWAPCVSXGAO-UHFFFAOYSA-N 353.334 1.100 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1 14253125 KQAVAUGLYDLSDP-JTQLQIEISA-N 367.383 1.075 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 14232367 GVNBHMGMYLRJGQ-QGZVFWFLSA-N 353.422 1.854 0 40 FDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1nnn(-c2ccccc2)c1=O 14201661 UNKHGBYSSRYBDE-LLVKDONJSA-N 369.347 1.618 0 40 FDAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 4768422 FGDXYGRLAFTMJD-SNVBAGLBSA-N 369.472 1.626 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O 6847866 OYOSTEYFBOVJOA-SFHVURJKSA-N 372.429 1.839 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)cc2)C1=O 15842720 JAISRTUCJOVTFL-LBPRGKRZSA-N 359.407 1.324 0 40 FDAB CC(=O)[C@@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 71811564 KUUNOBSECYCVLF-GFCCVEGCSA-N 358.427 1.530 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc2sccn2c1=O 9690627 SMZOVASHSLVBCX-ZDUSSCGKSA-N 358.423 1.916 0 40 FDAB COc1cc(NC(=O)COc2ccccc2CC(N)=O)cc(OC)c1OC 83921457 MLVDPNGECZJWED-UHFFFAOYSA-N 374.393 1.758 0 40 FDAB CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)N(C)C1CCCCC1)CC2 97020680 MSOXWLLJIMUEMR-HZPDHXFCSA-N 360.520 1.748 0 40 FDAB C[C@H](CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)S(N)(=O)=O 95453359 PCUQZQMYJCOOMJ-MRVPVSSYSA-N 361.349 1.646 0 40 FDAB COC(=O)N[C@@H](C(=O)N1CCC(NC(=O)c2cccs2)CC1)C(C)C 95953401 GQXNXZVBSWAJJH-CQSZACIVSA-N 367.471 1.850 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 408610817 WAJISHMRRFFZOU-JSGCOSHPSA-N 356.444 1.047 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3OC)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 33938624 NMLBEPAFAIBCIS-XLPNERPQSA-N 360.410 1.282 0 40 FDAB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)NC1=S 39556813 QPMUOZGFUVITBH-GDNBJRDFSA-N 368.462 1.951 0 40 FDAB Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1ccnc(NC(=O)C2CC2)c1 509530971 ZFCUBNIAYKQYHA-UHFFFAOYSA-N 362.393 1.900 0 40 FDAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 524733873 XSWQAHTYWSHCKT-LBPRGKRZSA-N 353.378 1.325 0 40 FDAB CCn1c(=O)n(CCC(=O)NCCC(=O)N2CCCC2)c2ccccc21 32847917 UWNHVQAZZAFDAO-UHFFFAOYSA-N 358.442 1.342 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)c1 72374073 QBQGJFIIPBIONI-MRXNPFEDSA-N 355.442 1.686 0 40 FDAB CSCC[C@H]1NC(=S)N(Cc2ccccc2Cn2cncn2)C1=O 32826011 SFYLOUGEOHJOOM-CQSZACIVSA-N 361.496 1.665 0 40 FDAB Cc1c(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)nnn1-c1ccn(C)n1 560464599 ZKJVRHYJSRDISB-GFCCVEGCSA-N 370.417 1.189 0 40 FDAB Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1-n1cnnn1 33082233 MQABRTPZCCXAAQ-UHFFFAOYSA-N 372.410 1.595 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1 72374376 NXGNGVNXCRKXMG-MRXNPFEDSA-N 368.441 1.315 0 40 FDAB O=C(Cn1ccccc1=O)NC1CCN(C(=O)CCc2ccccc2)CC1 48300376 DUJXWCRTFFODGD-UHFFFAOYSA-N 367.449 1.588 0 40 FDAB CCN1C[C@@]23CN(C(=O)c4ccc(Cl)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146037 SZLDZCJVCBCKHY-YCPHGPKFSA-N 370.858 1.357 0 40 FDAB CN(C)c1ccc(N2CCC[C@]3(C2)CN(c2cnccn2)CCO3)nc1 96226445 ZCGGVKJAZIJRGJ-IBGZPJMESA-N 354.458 1.813 0 40 FDAB O=C(c1cccs1)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 96051350 DSLMCVUVTKRNAR-GOSISDBHSA-N 373.434 1.418 0 40 FDAB COC(=O)c1nc(NC(=O)Cn2cnc3sccc3c2=O)sc1C 95476524 HCWKSDQJYMGYNG-UHFFFAOYSA-N 364.408 1.648 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 257337082 YRGXZGUWRXARQP-HYVNUMGLSA-N 354.472 1.741 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCc2cc(OC)no2)C1 257338429 YXJMOIYZXDHNSU-CYBMUJFWSA-N 359.430 1.929 0 40 FDAB CNc1cncc([C@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3)on2)n1 257312366 UNOWNRJGBVNNDN-CQSZACIVSA-N 353.386 1.884 0 40 FDAB CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2F)C1 546251575 DDJRDXCVKNNMKU-LLVKDONJSA-N 358.391 1.203 0 40 FDAB COC(=O)CCCCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O 590368312 XVRGCMOOXWATMS-NWDGAFQWSA-N 351.403 1.600 0 40 FDAB COc1cnccc1N1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 684527032 KSSKUMLSKCLROA-OAHLLOKOSA-N 366.421 1.865 0 40 FDAB CN1C(=O)CC[C@H](C(=O)Nc2nc3ccccn3n2)[C@H]1c1nccn1C 1775959777 WOYTZMLAUFXALT-FZMZJTMJSA-N 353.386 1.011 0 40 FDAB COC(=O)CCN1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1=O 602920204 SCPBIPXFBBWBMN-INMHGKMJSA-N 368.380 1.548 0 40 FDAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cn(C)cn1)CC2 630162190 YOLFIXHPCQFVOM-AWEZNQCLSA-N 359.382 1.652 0 40 FDAB O=S(=O)(CC[C@H]1CCc2ccccc21)N1CCN2CCOC[C@@H]2C1 641420549 CDRBBGWCUXYZFF-SJORKVTESA-N 350.484 1.453 0 40 FDAB COc1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)cc1Br 643745731 QUVWZIUXZXKDPC-OAHLLOKOSA-N 357.248 1.660 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1C 653496911 LHJRBGCJNIYRJK-AWEZNQCLSA-N 364.423 1.681 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298189387 CZROBCCMLZQCKO-IYVPYFHTSA-N 368.389 1.609 0 40 FDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 575404757 OFEBOCVHEGKFNE-HNNXBMFYSA-N 353.357 1.916 0 40 FDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N3CCCCO3)C2)c1 585095791 KZSSETAIWRIGSJ-QGZVFWFLSA-N 369.425 1.728 0 40 FDAB CN1C[C@@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CC1=O 585103961 HQPODBYDFNPJGX-SFHVURJKSA-N 358.467 1.886 0 40 FDAB Cc1snnc1C(=O)N1CCOC[C@H]1c1nccc(N2CCCCC2)n1 585113157 PTIUOSXGYSTSEE-ZDUSSCGKSA-N 374.470 1.841 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)N(Cc2cn(-c3ccccc3)nn2)C1 685940302 CVJGESLGHFMPTJ-CZUORRHYSA-N 357.414 1.021 0 40 FDAB C[C@H](CNC(=O)NCc1ccccc1NS(C)(=O)=O)Cn1cccn1 50148609 YBCSCKKVZNQPAE-CYBMUJFWSA-N 365.459 1.390 0 40 FDAB COc1ccc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1OC 72283980 GNUYAWQAVSLHCL-OAQYLSRUSA-N 370.449 1.957 0 40 FDAB CC1([C@H]2CCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)OCCO1 96011023 LLEFHFZZOZMBEA-RBUKOAKNSA-N 374.481 1.889 0 40 FDAB O=C(c1csnn1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153963 DAHHLTWTXHFKHK-QGZVFWFLSA-N 358.423 1.576 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 11211902 LIQBFRRSDRQDNX-CYBMUJFWSA-N 352.412 1.765 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3391752 LNAXEYIKYOOCKU-NYYWCZLTSA-N 354.362 1.989 0 40 FDAB COCCN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)O)C1=O 8104515 SUXWPULCBYGYDB-XYOKQWHBSA-N 367.379 1.841 0 40 FDAB Cc1ccc(-c2nc(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)no2)cn1 19215040 WZIHQZYNLSBXAQ-CQSZACIVSA-N 355.398 1.425 0 40 FDAB COc1ccccc1C(=O)NCc1cc(=O)[nH]c(N2CCC(C)CC2)n1 19497059 FRMKCVCSVYGUKZ-UHFFFAOYSA-N 356.426 1.945 0 40 FDAB COc1nn(CC(=O)N[C@H](C)Cn2nc(C)cc2C)c(=O)c2ccccc12 19573692 JNCOFPDUKZTSPV-CYBMUJFWSA-N 369.425 1.423 0 40 FDAB COc1ccccc1N1CCN(Cc2cnn3cccnc23)[C@@H](C)C1=O 19715805 SMDXDTDRMJOTIC-AWEZNQCLSA-N 351.410 1.975 0 40 FDAB O=C(C[C@H](NCCN1CCOCC1)C(=O)O)Nc1cccc(Cl)c1 22458122 JBIXTTYEQVXTPI-AWEZNQCLSA-N 355.822 1.044 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)n1 1888866656 YZIVOYSTNFKYHP-IRXDYDNUSA-N 358.467 1.683 0 40 FDAB Cn1ccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1=O 25218122 GSKIWQALLPFTJY-UHFFFAOYSA-N 357.385 1.559 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238951595 XATVNVHTNOIISI-OKILXGFUSA-N 365.389 1.532 0 40 FDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)o1 2720179 INOJXWCAKSXYEY-UHFFFAOYSA-N 352.416 1.915 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1N1CCCC1=O 10188510 XAYPMEOGCVRNBL-UHFFFAOYSA-N 352.394 1.772 0 40 FDAB O=c1c2cccnc2nc(S)n1CCN1CCN(c2ccccc2)CC1 20618248 FWHHOFIJGVXXDR-UHFFFAOYSA-N 367.478 1.902 0 40 FDAB COc1ccccc1OCC(=O)NC[C@H](c1cccn1C)N1CCOCC1 21152540 PQJPRZQMYNFFFJ-QGZVFWFLSA-N 373.453 1.602 0 40 FDAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(F)cc1F 22997092 ZNLULDJDKKMDKJ-HNNXBMFYSA-N 371.384 1.059 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)cc1OC 575621158 VMGFCNMZXRLNRX-ZDUSSCGKSA-N 371.437 1.669 0 40 FDAB Cc1nc2ccc(C(=O)N3CCc4nc([C@@H]5CCNC5)ncc4C3)cc2[nH]1 19576714 HLDRQUISPLTDOJ-CQSZACIVSA-N 362.437 1.937 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)on1 73005642 NLVPXZRAEJANBE-UHFFFAOYSA-N 363.439 1.345 0 40 FDAB CC(C)[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 40033607 JFGHDVGFXKMZGX-HOCLYGCPSA-N 358.891 1.930 0 40 FDAB NC(=O)Cn1c(SCC(=O)NCc2cccs2)nnc1C1CC1 40072654 RDMCSUQTZULYJP-UHFFFAOYSA-N 351.457 1.111 0 40 FDAB Cc1cccc(CS(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)o2)c1 40127593 CDCSLZXKDLAPDH-UHFFFAOYSA-N 357.453 1.953 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@@H]2CS[C@]3(C)CSCC(=O)N23)cc1 40146484 GTJJMDOYXVYCAY-BLLLJJGKSA-N 366.464 1.819 0 40 FDAB CCCN1CCc2c(sc3c2c(N2CCOCC2)nc2nnnn23)C1 20519101 VCUAIVRPPPKPFF-UHFFFAOYSA-N 359.459 1.339 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCCN1C(=O)CNC1=O 32950637 NZRNJYAHOGLJSM-QWHCGFSZSA-N 373.409 1.228 0 40 FDAB COc1ccc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)cc1OC 79482327 QCOQVAMVOHASFK-UHFFFAOYSA-N 369.381 1.869 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCn2c(=O)n(C)c3ccccc32)on1 21922317 DKKUVZXKPAUTOM-GFCCVEGCSA-N 372.381 1.597 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4131629 AYUOOUUEVWCLKN-PAURTPPISA-N 350.367 1.989 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 6321651 WZJSMRJXHKEPAY-OAHLLOKOSA-N 368.499 1.991 0 40 FDAB CCOc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679548 UOXRMJSLRAKLQS-UHFFFAOYSA-N 359.407 1.799 0 40 FDAB C[C@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 8303992 WUOKGNHEQNAYTG-CQSZACIVSA-N 371.462 1.987 0 40 FDAB CCn1cc(NS(=O)(=O)c2cnn(C)c2C)c(C(=O)NCC(C)C)n1 2804667 AQUSWPUDVPFMMA-UHFFFAOYSA-N 368.463 1.132 0 40 FDAB C[C@H](NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccccc1 102084275 LZUYCICNJCUOBS-WDANSMFJSA-N 350.418 1.917 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1nncn1C 47331448 SGFAKBDZVDJPFU-MRVPVSSYSA-N 350.322 1.753 0 40 FDAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2C(N)=O)c1 9064290 OKJBEDDGEPBDQC-UHFFFAOYSA-N 359.407 1.930 0 40 FDAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 106857914 XXGLCVJYUUMLJT-UVPYHEFZSA-N 372.556 1.718 0 40 FDAB COc1ccc2c(c1)c([C@H](NCCCN(C)C)C(=O)O)cn2CC(=O)O 106472697 YEHNKCAJEDQCSB-KRWDZBQOSA-N 363.414 1.402 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@@H]1[C@H]1O[C@H](c2ccccc2)O[C@@H]1CO 43771935 FRNYWYUVZQQBQN-DWIKVQACSA-N 358.390 1.937 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)CCn2cnc3ccccc3c2=O)CC1 26126001 PZHWJOHZUVIIHN-OAHLLOKOSA-N 371.437 1.977 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@@H](c4ccco4)[C@@H](C)C(=O)[C@H](C)[C@@H]3[C@]23C=C[C@H]1O3 105368507 VEGDJTLZYKPHPF-WAEVFHGRSA-N 371.389 1.499 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCCC1 58023821 NOBVQBZJVADDTL-UHFFFAOYSA-N 357.414 1.539 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C[C@@H](C)O1 48289855 LKYLRXXOGAESAL-HUUCEWRRSA-N 368.503 1.516 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 3368116 QWIFDPXLVPGSGN-UHFFFAOYSA-N 359.451 1.557 0 40 FDAB c1cc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)cs1 107739660 GADBELFIJSVHHF-ZWKOTPCHSA-N 352.500 1.830 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)c1 10032155 XKWCPRJDMIQPHB-SFHVURJKSA-N 361.398 1.768 0 40 FDAB O=C(Cn1cc(NC(=O)[C@H]2COc3ccccc3O2)cn1)NC1CCCC1 58193286 WREVSPLPXFSYCC-QGZVFWFLSA-N 370.409 1.720 0 40 FDAB Cc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cn1 58202682 PQBGGRKYJIPPCW-UHFFFAOYSA-N 353.426 1.254 0 40 FDAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 2129774 HHYDWBXMJDQMPQ-UHFFFAOYSA-N 359.378 1.948 0 40 FDAB biogenic CCN(CC)C(=O)c1ccccc1NCC(=O)NCC(=O)N1CCCC1 58370168 XPDQPHIOEIARBY-UHFFFAOYSA-N 360.458 1.319 0 40 FDAB CCNC(=O)C1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 58404586 JFOQENRRGVMRBZ-KSSFIOAISA-N 370.515 1.560 0 40 FDAB Cc1ccc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)s1 306138423 RXGJIORHKSDLMT-ZBFHGGJFSA-N 372.494 1.804 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)Cn1ncc2ccccc2c1=O 13008018 TXGGWGOGWYJUHU-UHFFFAOYSA-N 350.378 1.154 0 40 FDAB COc1cccc(-c2noc(CNC(=O)C(=O)NCc3cccs3)n2)c1 8850189 ILWOUEKOWLCTON-UHFFFAOYSA-N 372.406 1.739 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1cccc(C(=O)O)c1 13247470 SKTAMSRYZLRGKV-UHFFFAOYSA-N 373.390 1.442 0 40 FDAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NC[C@H]4CCCO4)c3)c2)n1 65250922 FNWQRJOBIGGAHZ-CYBMUJFWSA-N 368.397 1.789 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1 65553771 POHZBLBFTFBFAO-RNCFNFMXSA-N 364.439 1.943 0 40 FDAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C)O1 14114589 JONWUQMPWOBLFA-KBPBESRZSA-N 359.426 1.179 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccs1 5603128 LARZSSJRGDXQFU-UHFFFAOYSA-N 368.436 1.727 0 40 FDAB O=C(CCc1cscn1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005240 PMUPGIQZTLKTLS-HNNXBMFYSA-N 371.528 1.929 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc1 96000572 QYDGKMJADDZQPN-CQSZACIVSA-N 367.427 1.541 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](C)C1 9317754 IPQSTVCRFMSTPP-QWRGUYRKSA-N 359.430 1.013 0 40 FDAB Cc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)nc2n1 23077588 QWNMKQXIHZOVCC-UHFFFAOYSA-N 356.361 1.591 0 40 FDAB COc1ccc(C(C)=O)cc1CN1NS(=O)(=O)c2ccccc2C1=O 9478415 UGYCIQOPXAIXRQ-UHFFFAOYSA-N 360.391 1.747 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 8131431 HWYKKMSQAJVWKH-LJQANCHMSA-N 374.416 1.195 0 40 FDAB O=c1c(=O)n2c(nn1Cc1ccccc1)[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306140330 UQBOQGCYEUCWEC-IAGOWNOFSA-N 364.405 1.276 0 40 FDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 95422072 GOWPSQAKHXLQFT-TZMCWYRMSA-N 369.849 1.790 0 40 FDAB CNC(=O)[C@@H]1CCCN(C(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1 95465617 MYLJHMKUHUPLPW-MLGOLLRUSA-N 358.360 1.811 0 40 FDAB Cc1cc(CSc2ncccc2C(=O)NCCNC(=O)N(C)C)no1 95983423 IYBMJRGWVUJZNW-UHFFFAOYSA-N 363.443 1.671 0 40 FDAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118933018 FFPUNPBUZDTHJI-FOUKZPRJSA-N 368.514 1.445 0 40 FDAB O=C1CCCN1C[C@H]1CO[C@@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]12 306134804 NYLUHWIOMOBWOF-GZBFAFLISA-N 368.430 1.084 0 40 FDAB COc1ccc(Cl)c(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c1 548531575 UVVCTCWAJLVUNK-JOYOIKCWSA-N 363.819 1.507 0 40 FDAB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CCNC(N)=O)CC2 548680655 TXGAEKFDAGJENF-LBPRGKRZSA-N 351.476 1.014 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccco1 12146224 HXZBJVOKYAOXBT-MRXNPFEDSA-N 353.378 1.547 0 40 FDAB biogenic COc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC 31280358 NGXMUTFUCHDZNU-UHFFFAOYSA-N 362.426 1.415 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCn3ncccc3=O)CC2=O)cc1C 38510172 DQQYMPBOGALXHM-OAHLLOKOSA-N 354.410 1.029 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cnc(O)c(Cl)c2)C1 225808950 MIVKIHCTPJJTSJ-JTQLQIEISA-N 350.762 1.533 0 40 FDAB C[B-]1(C)n2cc(Br)c[n+]2[B-](C)(C)[n+]2cc(Br)cn21 195759606 XSVIVCSHJDIRIR-UHFFFAOYSA-N 373.698 1.899 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccc(C)cc2)s1 224177930 LSCGBOHLKOATOC-SNVBAGLBSA-N 370.456 1.551 0 40 FDAB Cc1nc([C@H]2CCN(C(=O)N=c3nc(Cc4ccc(F)cc4)[nH]o3)C2)n[nH]1 572824499 QGSFIMPILBMPJF-LBPRGKRZSA-N 371.376 1.669 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)cc1 96260879 LNTFZIBHUMSYRV-MRXNPFEDSA-N 366.483 1.786 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226020 UJRYWQNMMDYYRR-GOSISDBHSA-N 369.381 1.686 0 40 FDAB CN(C)C(=O)N[C@@H]1COC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 96220722 QQEREMKDHWNDOA-AWEZNQCLSA-N 367.471 1.270 0 40 FDAB O=S1(=O)CC[C@H](COCc2ccccn2)C12CN(Cc1ccccn1)C2 247345893 UMDMZGXCLABPSW-MRXNPFEDSA-N 373.478 1.683 0 40 FDAB CN(C(=O)c1noc2c1CCCC2)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257262454 LLLNOSOEBTWCPG-QGPMSJSTSA-N 357.410 1.991 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)CC1 257288864 PWAHEOYEGRULMI-KRWDZBQOSA-N 359.474 1.460 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 257307468 SYSVGCNRFRICCH-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB COCC(=O)N1CCC[C@@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257322144 WETCPLLVKPYJCN-ZDUSSCGKSA-N 370.409 1.664 0 40 FDAB COCC(=O)N1CCC(c2nc(C)cc(N3C(=O)OCC3(C)C)n2)CC1 257331723 XTZTUECAJGOTEN-UHFFFAOYSA-N 362.430 1.873 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 250351654 JXVHXGYUUXFQNQ-HEHGZKQESA-N 369.462 1.743 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCCN1c1nccs1 593071568 JYBINRRQRFFGQQ-ZDUSSCGKSA-N 355.427 1.404 0 40 FDAB C[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1nc(Cc2ccccc2)no1 1621909439 KRSJMIOFUOFNKY-NILFDRSVSA-N 368.397 1.439 0 40 FDAB CCn1cc(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 631458529 RVHWCKJZQXWADJ-DOTOQJQBSA-N 354.454 1.970 0 40 FDAB Cc1nnsc1C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390832176 XUPQKCUHFNGGFX-ZDUSSCGKSA-N 351.453 1.849 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 585276424 JOLDGBACLBFBER-SFHVURJKSA-N 350.390 1.180 0 40 FDAB O=C(NCC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn21)c1cccnc1 585112788 WPOVPKWJTPRDMK-INIZCTEOSA-N 368.441 1.671 0 40 FDAB C[C@H](NC(N)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 56252945 VXDUYNRLXZLKGE-NSHDSACASA-N 373.375 1.927 0 40 FDAB CCCc1nc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 54983767 LYZVGPDXIDZCPN-MRXNPFEDSA-N 372.425 1.649 0 40 FDAB CN1CCN(C[C@H](O)CN(C)C(=O)Nc2ccccc2C(F)(F)F)CC1 78599496 NJYVGLNAJUFLPB-CYBMUJFWSA-N 374.407 1.777 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3c[nH]nc3C)CCOCC2)o1 1547138682 PLMHNTHMMUPSHM-UHFFFAOYSA-N 361.398 1.440 0 40 FDAB biogenic CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 14607667 XIFAIJWJKIENMR-OAHLLOKOSA-N 357.414 1.314 0 40 FDAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 15674020 SNOPVTZBYJOGSF-CJNGLKHVSA-N 353.382 1.843 0 40 FDAB biogenic,in-vitro CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19448311 LMQDHWAVMPLVNN-QGZVFWFLSA-N 367.453 1.909 0 40 FDAB COc1cccc(OC)c1OCC(=O)N1CCN(c2nccs2)CC1 19568220 NIFNKZSZPDVSRW-UHFFFAOYSA-N 363.439 1.888 0 40 FDAB CCCc1nnsc1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 19749198 VIMITQFVZWCSTA-LLVKDONJSA-N 360.505 1.425 0 40 FDAB CCCN1CCN(Cc2nnc([C@]3(OC)CCOC3)o2)C(C)(C)C1=O 644271306 SWGCLBDERQBHFV-KRWDZBQOSA-N 352.435 1.164 0 40 FDAB Cc1csc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 5101515 HKDOAOMRRSZMPQ-UHFFFAOYSA-N 354.457 1.830 0 40 FDAB O=S(=O)(c1cccc(Cl)c1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1256744252 WJDJYUNWRRDSIB-STQMWFEESA-N 364.858 1.887 0 40 FDAB CN(C)c1ccc(N2CCN(c3ncnc4cc(F)ccc34)CC2)nn1 1889149334 AUMDRRVFBRXCDY-UHFFFAOYSA-N 353.405 1.952 0 40 FDAB CN1CC[C@H](N2CCC[C@@H](COc3ncc(Br)cn3)C2)C1=O 1848573071 AXRHCPJWROPBPX-YPMHNXCESA-N 369.263 1.561 0 40 FDAB Cc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 34876461 QQOWUJIOZSJPNE-SFQUDFHCSA-N 361.426 1.958 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC(Oc2cccnc2)C1 238869170 MMBGKWPDTOWNPO-ZDUSSCGKSA-N 355.369 1.863 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542587 PRHHRXFJSBCQSQ-BEFAXECRSA-N 355.394 1.416 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@@H]2CN(C(=O)c4cc[nH]n4)C[C@@H]32)CC1 1565546502 DFVXZHYPSQIIRV-UKRRQHHQSA-N 352.442 1.848 0 40 FDAB O=C(NCc1cccnc1)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 49411258 SLMDZFLEOKABSG-UHFFFAOYSA-N 363.425 1.978 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCc1nc(C2CCOCC2)no1 575616344 IWXCBKOPYQJHJP-UHFFFAOYSA-N 358.354 1.188 0 40 FDAB COc1ccc(CCNC(=O)c2c(O)nc3cc(C)ccn3c2=O)cc1 9830176 COEUBPXCYUHLNE-UHFFFAOYSA-N 353.378 1.690 0 40 FDAB biogenic COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc[nH]n3)CC2)c1 40108718 WFUZZMMVOLBJMC-UHFFFAOYSA-N 359.386 1.313 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102553408 XPIDJFNFPXORRP-XBFCOCLRSA-N 356.378 1.736 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102697918 LYEOXJGZFHQNBA-BETUJISGSA-N 358.394 1.942 0 40 FDAB Cn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)n1 2774984 IGVAIKBMBCNUFP-UHFFFAOYSA-N 356.308 1.250 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@]2(CCOC2)C1 79093750 BXVLOGFHAJDSDE-GOSISDBHSA-N 364.467 1.724 0 40 FDAB CC(C)Oc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093788 GHCMMBAHVMTGNP-DZVNLGKHSA-N 368.426 1.589 0 40 FDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 6138690 BBBBWCWNVHZLBF-CYBMUJFWSA-N 370.471 1.631 0 40 FDAB CC1(C)O[C@@H]2[C@H](O[C@@H]([C@@H]3COC(=O)O3)[C@H]2OC(=O)c2ccccc2)O1 4783395 PNZYAHZGYPKPDY-DKBOKBLXSA-N 350.323 1.624 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NC12CC3CC(CC(C3)C1)C2 6312811 BJDVPHHCCRQMCN-YVUYRNPXSA-N 354.450 1.879 0 40 FDAB COc1ccccc1CN(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 53238334 DAPAKTUURMZMPA-UHFFFAOYSA-N 359.470 1.787 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 102014715 PBQSOYUQUYWTCE-QAETUUGQSA-N 353.378 1.607 0 40 FDAB C[C@@H](C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)n1ccnc1 46901448 AFWNHXNNFZBOTD-SCLBCKFNSA-N 355.398 1.419 0 40 FDAB CN(C(=O)COC(=O)CNC(=O)c1ccccc1F)C1CCCCC1 8136877 HMKMDNHDWXQAIK-UHFFFAOYSA-N 350.390 1.890 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 106136268 DDRPTEKVHQQNDO-CABCVRRESA-N 356.470 1.942 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@H](C)c1cnn(C)c1C)C2=O 25003201 FJOHYUAKORBEAZ-GFCCVEGCSA-N 354.410 1.900 0 40 FDAB Cc1csc(=O)n1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12574801 YBYAILAPWGNCGM-HNNXBMFYSA-N 360.414 1.997 0 40 FDAB O=C(NCCCOCCc1ccccc1)N1CCN(c2ncccn2)CC1 56458338 HYSTYBZFGJSMDY-UHFFFAOYSA-N 369.469 1.958 0 40 FDAB CCOC(=O)c1c(NC(=O)CNCCCN(C)C)sc2c1CCC2 25265996 YSVIYUPNRSSXRK-UHFFFAOYSA-N 353.488 1.893 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCC(=O)N1CCNC1=O 58200823 LZNCGCBOVWFMEY-ZDUSSCGKSA-N 358.442 1.831 0 40 FDAB CC(C)OCCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245782 KKTDSCYLCIPXSF-UHFFFAOYSA-N 357.476 1.474 0 40 FDAB CCCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 58263163 DANSKXHDQRZAMM-CQSZACIVSA-N 353.440 1.742 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2cccc(F)c2)c(=O)[nH]c1=O 12791311 AAIILLSGWYZICZ-UHFFFAOYSA-N 362.405 1.654 0 40 FDAB Cc1cccc(C)c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12775602 PVXYNXUULPYQPL-CYBMUJFWSA-N 363.439 1.407 0 40 FDAB CC(=O)c1ccc(N2CN=c3s/c(=C\c4ccccc4)c(=O)n3C2)cc1 2259240 CFFQZUDEDYZVOU-WQRHYEAKSA-N 363.442 1.996 0 40 FDAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCN4C(=O)CNC4=O)cc3c2C1 113192170 OKJOTIGTNGUODX-LLVKDONJSA-N 354.410 1.574 0 40 FDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccnc2)cc1 67896313 VRQXHNLOQDBEKV-SJLPKXTDSA-N 355.394 1.615 0 40 FDAB biogenic,in-vitro CCc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)s1 12924968 FWUYLAYKAYZZJZ-QGZVFWFLSA-N 371.422 1.433 0 40 FDAB CSCC[C@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 3886732 VFHKSFCDPODZMG-CYBMUJFWSA-N 371.484 1.193 0 40 FDAB in-vitro NS(=O)(=O)CCCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 64037282 AHDWYCBQXZUOPY-UHFFFAOYSA-N 373.478 1.658 0 40 FDAB Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 301272785 HTMOGGNWYFEFET-UHFFFAOYSA-N 372.454 1.252 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1 14121560 JPOHKSZVUGJVIB-UHFFFAOYSA-N 361.511 1.500 0 40 FDAB CCOC(=O)c1sc(NC(=O)Cn2c(=O)n(C)c3ccccc32)nc1C 14111103 QYFIHOBXSNWXFV-UHFFFAOYSA-N 374.422 1.920 0 40 FDAB Nc1nonc1-n1nnc(C(=O)O)c1CSc1ccc(Cl)cc1 5483274 ZWDGEPYABVXDDV-UHFFFAOYSA-N 352.763 1.876 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1 71334896 JCQFUZQOQADRPC-OAHLLOKOSA-N 353.426 1.940 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(C(N)=O)cc1 16733542 CXCCIYDPPHJECR-UHFFFAOYSA-N 370.434 1.792 0 40 FDAB C[C@@H](C[C@@H](C)O)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 96009061 KGUPWCVDXBVPQQ-LSDHHAIUSA-N 368.499 1.679 0 40 FDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnsc1Cl 8324535 GCOYBUJDGKMTMO-CQSZACIVSA-N 350.787 1.921 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CNC(=O)OCc1ccccc1 69432457 UVJKWCNXYKZHEV-INIZCTEOSA-N 353.378 1.356 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)CCC(=O)N2CCOCC2)c(C)c1 9513500 NXMVOKNIKROLQE-UHFFFAOYSA-N 361.442 1.306 0 40 FDAB COC(=O)C[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 95360981 FQHFRWOWDFXQRT-MRXNPFEDSA-N 372.421 1.893 0 40 FDAB C[C@H](CC(=O)N1CCCC[C@H]1CN1CCOCC1)NC(=O)C1CCCC1 72277568 YGWIWDJTMPUJHM-AEFFLSMTSA-N 365.518 1.785 0 40 FDAB Cc1nc(CN2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)oc1C 95972357 QGBCXDDETZKJII-AWEZNQCLSA-N 374.407 1.962 0 40 FDAB CC(C)n1ncc2cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cnc21 9950498 OYHLDETZOZTSSQ-UHFFFAOYSA-N 370.413 1.912 0 40 FDAB O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709388 RXUDHAKEESNDBH-UHFFFAOYSA-N 351.406 1.876 0 40 FDAB Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)c2c(C)nn(C)c2n1 25343511 GOJSCGXURSRSHO-UHFFFAOYSA-N 351.414 1.338 0 40 FDAB CCOc1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 35648436 CMBANAGOIJMIAE-LAPSENCUSA-N 353.421 1.732 0 40 FDAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 217723278 SKXODGIGRBZPHC-UHFFFAOYSA-N 364.379 1.358 0 40 FDAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1)C(C)C 32124461 XOKKHASNEUDXDR-HOCLYGCPSA-N 357.414 1.659 0 40 FDAB biogenic COc1ccccc1C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974878 ALWRLKZSNCINOP-UHFFFAOYSA-N 364.409 1.633 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cnn(C)c3)CC2)C1 76063005 LEFCFHHEPSNVLN-HUUCEWRRSA-N 362.478 1.074 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cccc(F)c1 224303956 VWJGTBSHERCJES-UHFFFAOYSA-N 366.418 1.870 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)ccc1F 225420462 WDOBBTCQJQSOCJ-JTQLQIEISA-N 367.358 1.156 0 40 FDAB COc1ccc2cnn(CC(=O)NCCc3ccncc3)c(=O)c2c1OC 80331444 NTZMZINLDQSHQH-UHFFFAOYSA-N 368.393 1.168 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(S(C)(=O)=O)C1 96244550 YDLMEPOXGWLRGS-MRXNPFEDSA-N 352.460 1.040 0 40 FDAB CC(C)CN1CCCn2c(nc(CNC(=O)c3cccn3C)cc2=O)C1 96068138 AABSHZGBUPPZFB-UHFFFAOYSA-N 357.458 1.374 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)n1 96106943 OFTRFINUHBDZAL-MRXNPFEDSA-N 356.426 1.796 0 40 FDAB Cc1occc1C(=O)N1C[C@H]2[C@H](CC(=O)N3CCOCC3)COC[C@H]2C1 96057238 GGXPAJORDPIRBJ-INMHGKMJSA-N 362.426 1.172 0 40 FDAB COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96064987 SXXYYXVYDXGPPO-DLBZAZTESA-N 355.456 1.901 0 40 FDAB CCn1cc(C(=O)NCc2nccnc2C2CCN(C(C)=O)CC2)cn1 257205368 AYSBDHQMKYMMFC-UHFFFAOYSA-N 356.430 1.349 0 40 FDAB COc1ccccc1Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccn1 257236594 HCXHMXILLGKQQI-HNNXBMFYSA-N 360.435 1.598 0 40 FDAB Cc1nccn1CC(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257247507 IZHNWOVMHKOLTO-UHFFFAOYSA-N 356.474 1.524 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2ccnnc2)C3)n1 253600825 AKAAIPZVVCYMDK-HNNXBMFYSA-N 369.425 1.665 0 40 FDAB CO[C@H](C(=O)N1CC[C@@]2(NC(=O)Cc3cn(C)nc3C)CCC[C@@H]12)C1CC1 1775992685 UODDDKUZJYQNOK-KPFFTGBYSA-N 374.485 1.336 0 40 FDAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1nnn(C)n1 661087661 XQLNASAVHAMHIT-YGRLFVJLSA-N 350.810 1.535 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@]1(C(=O)O)CC1(C)C 663052210 KPYCATNPSOTJLH-LXIYXOSZSA-N 366.437 1.292 0 40 FDAB CO[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 96388218 BOAFSTWFGCTSCS-OAHLLOKOSA-N 358.435 1.301 0 40 FDAB O=C(O)[C@H](C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 573975576 YFDBYRPQHAMZJI-AWEZNQCLSA-N 358.847 1.510 0 40 FDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccncc3)cc2NC1=O 585281386 IWLIKTVWCQJTKP-CYBMUJFWSA-N 361.379 1.310 0 40 FDAB CO[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Cc1ccccc1F 585275591 DMSOSYXLLLINER-PBHICJAKSA-N 359.401 1.639 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cc(OC)cc(OC)c1)C2 585103409 OWAVEUUELRLRFI-OAHLLOKOSA-N 369.483 1.729 0 40 FDAB O=C(c1ccnc(F)c1)N1CCc2ncnc(N3CCOCC3)c2CC1 585110486 HUIZBHHAOPAFBC-UHFFFAOYSA-N 357.389 1.088 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585113027 ZZMXWKNTCODKJR-CQSZACIVSA-N 370.425 1.658 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585269058 JEHGLYOKKZXVQT-LJQANCHMSA-N 366.433 1.279 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n(C)n1 52129939 KTEIMIDMHFUBFQ-UHFFFAOYSA-N 373.432 1.573 0 40 FDAB O=C(NCc1ccccc1)NC1(C(=O)NN2CCCCC2=O)CCCC1 58167530 QRPIZUGJRRWXNO-UHFFFAOYSA-N 358.442 1.842 0 40 FDAB O[C@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@H](O2)[C@@H]1n1cncn1 952844656 DXXPUWPPCYKLRJ-ARILJUKYSA-N 371.224 1.400 0 40 FDAB biogenic,in-vitro COC(=O)Cn1ncc2ccc(NC(=O)Cc3nc(C4CC4)n[nH]3)cc21 1652962132 SKUBJUFGFKSLLU-UHFFFAOYSA-N 354.370 1.386 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccs1 5272676 XTGWXFNGSWYCSL-UHFFFAOYSA-N 350.421 1.599 0 40 FDAB CN(C)CC(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12325454 OEXUXMBTPSDXOJ-UHFFFAOYSA-N 358.417 1.740 0 40 FDAB Cc1cnc(-c2nc(O)cc(C3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cn1 13227802 VZZUGZLREPRUAO-MRXNPFEDSA-N 369.425 1.833 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 13576157 ZRSUSFADMZKWGR-JEEVEMCESA-N 355.438 1.842 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 15894255 BWKIEMWIVKCKOU-DFYYWFRZSA-N 370.405 1.222 0 40 FDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 16755726 TYAPZJNLLGEADQ-UHFFFAOYSA-N 369.834 1.084 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CN1C[C@H](C)O[C@H](C)C1 19130412 BTHVVWMTLAJHEY-QSJFSLAZSA-N 369.469 1.735 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CC(=O)NC(C)C)CC1(CCN(C)CC1)O2 19218550 WUVZPAXOSMNZAR-UHFFFAOYSA-N 359.470 1.819 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19457580 DPGSIUNLBOLENH-HOTGVXAUSA-N 368.485 1.703 0 40 FDAB CCN1CCN(c2nc(O)cc([C@H]3CC(=O)N(C4CCCCC4)C3)n2)CC1 19528234 CZUWDVYSXSWJFC-HNNXBMFYSA-N 373.501 1.973 0 40 FDAB CCN1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694937 KCCZFCNEZHAINZ-INIZCTEOSA-N 355.442 1.702 0 40 FDAB CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2O)C1 631971712 PCJGHVDNIJNEBH-QWRGUYRKSA-N 360.863 1.971 0 40 FDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNC2CCCC2)C1 643551229 WWCQDPWXLVLLNF-PKOBYXMFSA-N 366.889 1.739 0 40 FDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCOC(C)C)C3)cc1 8718098 KCXLZMCLGKQIEH-QGZVFWFLSA-N 359.426 1.961 0 40 FDAB CN(C(=O)CN1CCOCC1)C1CCC2(CC1)CNCc1ccccc1O2 19586720 GSBIVNWCIYOGBP-UHFFFAOYSA-N 373.497 1.641 0 40 FDAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCCCN1CCCC1=O)C(C)C 22625433 UWFOKVKUWVQANS-GOSISDBHSA-N 359.470 1.878 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc(C)on5)C[C@@H]4C3)n1)CCC2 1888868585 LGYMBXZNPINNMV-KBPBESRZSA-N 353.426 1.779 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccnc3)C2)cc1 238847869 ITGHGPPGPBLKOM-UHFFFAOYSA-N 361.423 1.235 0 40 FDAB Cc1cc(C)n(CC(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 2037839752 CEOXAJSSLMYTFS-HXUWFJFHSA-N 368.437 1.534 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)n1 1615065400 MBFMAAKXYPZUTO-IBGZPJMESA-N 369.425 1.357 0 40 FDAB C[C@@]1(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)CC=CCC1 1565548727 IYAYTWGTHGAUNO-UXHICEINSA-N 362.470 1.599 0 40 FDAB COCCNC(=O)CSc1nc2c(-c3ccccc3)c(C)nn2c(=O)[nH]1 9107550 HKBOPQIVNZYULU-UHFFFAOYSA-N 373.438 1.248 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccccc1 9571215 YCJNCRUVGGOGHH-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB O=C(Cc1ccccc1)NCCn1ncc2c(N3CCOCC3)ncnc21 11665979 QFXYFUNSAMEZPW-UHFFFAOYSA-N 366.425 1.022 0 40 FDAB CC(C)(C)c1ccc(=O)n(CC2CCN(CC3(O)CCOCC3)CC2)n1 585499926 RGFUIFCUUUZBPH-UHFFFAOYSA-N 363.502 1.794 0 40 FDAB Cc1ccsc1[C@@H]1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 4496040 IKOMDKCIFGYZDX-GFCCVEGCSA-N 373.434 1.931 0 40 FDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)nc1 40047132 DKYIIIUXJDQTLL-LJQANCHMSA-N 366.465 1.923 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NCCN2CCc3ccccc3C2)cc1 31338674 BZCMMAAKGZLJRZ-UHFFFAOYSA-N 351.450 1.899 0 40 FDAB CC[C@H](c1ccncc1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101208810 FIDQPCJQNVSDMJ-ONMISFSYSA-N 353.422 1.798 0 40 FDAB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccnc1 20663987 VIJNMZGRLBMMHK-UHFFFAOYSA-N 354.410 1.396 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1 60348838 KQFNMXKHCMNLQB-HNNXBMFYSA-N 354.428 1.561 0 40 FDAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCOCC1 862171 JSCIWZXBKYHBLK-UHFFFAOYSA-N 352.391 1.772 0 40 FDAB Cc1cccc(NC(=O)CSCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 32970986 IBBWULMSBMSAEN-INIZCTEOSA-N 370.496 1.360 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@@H](C)[C@H](C)N2 18010312 IQNMVFBOBKVYSC-QWRGUYRKSA-N 370.413 1.609 0 40 FDAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 4040864 LXIQMFKOABADKQ-SMWSNZAOSA-N 357.362 1.411 0 40 FDAB C[C@@H]1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2C)CC1 4489277 URXLDHINOKWZPK-QZTJIDSGSA-N 364.534 1.406 0 40 FDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cc(Cl)ccc2O)s1)c1ccncc1 103018518 VJSLRMGSKWQEDB-SRKDFGFSSA-N 358.806 1.683 0 40 FDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@@H](O)c1ccccc1 6626688 AFDOVFBOEGXHJE-ZWKOTPCHSA-N 359.422 1.961 0 40 FDAB Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)COc2ccccc2)n1 46866878 VYPZKLDKZUFOAX-INIZCTEOSA-N 358.442 1.590 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@](C)(O5)[C@H]1O 100393648 WVIJKZGJRVKCQR-WWLPJLAXSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro CC[C@@H](C)CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1 55196689 JBWSEFTXCOGZLI-CQSZACIVSA-N 358.446 1.563 0 40 FDAB C[C@@H](NC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)c1ccco1 25258714 XCFXWRSRUFVNNP-GFCCVEGCSA-N 361.423 1.976 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)s1 25239547 LLWNFTLZHGNZEQ-UHFFFAOYSA-N 368.436 1.836 0 40 FDAB NC(=O)NCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 106922397 KAWDHKLQSWPRDB-UHFFFAOYSA-N 352.866 1.727 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(-n3cnnn3)cc2)n1 58305219 ULYSXDKQSFKYIT-UHFFFAOYSA-N 351.370 1.124 0 40 FDAB CN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12764771 DLOWRWZPLXESOB-LLVKDONJSA-N 370.475 1.834 0 40 FDAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 12766471 VVOXWEDQZBGZDE-UHFFFAOYSA-N 367.453 1.510 0 40 FDAB CC[C@@H]1CCCCN1C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 29485829 LWKAXQIITLZAID-CYBMUJFWSA-N 350.415 1.973 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 12997339 GVDWPZWWLJYZDY-UHFFFAOYSA-N 351.428 1.068 0 40 FDAB CC(C)Oc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(C)C1=O 13690400 ZBYJKPWZJRNBRR-UHFFFAOYSA-N 355.416 1.123 0 40 FDAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@@H]1CCS(=O)(=O)C1 6436789 ICNZWPUMZFKZDW-LLVKDONJSA-N 357.453 1.243 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@H](CNC(=O)c3cscn3)C2)cn1 306131174 JYDXJXPJOWPDDC-CYBMUJFWSA-N 371.470 1.135 0 40 FDAB C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@@H]3C[C@@H]1[C@H]2CO3 14441561 FALAMCOLIJTCTR-AZQGZKSISA-N 356.422 1.881 0 40 FDAB biogenic O=C(OCC(=O)N1CCc2ccccc2C1)c1n[nH]c(=O)c2ccccc12 6649321 BBZCFRNDSXSOOI-UHFFFAOYSA-N 363.373 1.665 0 40 FDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCCCO2 7423166 CKJRPZFKIOKUPV-UHFFFAOYSA-N 373.394 1.624 0 40 FDAB COc1ccc(CN2CCN(C(=O)c3nccnc3N)CC2)cc1OC 23239779 HGRXCINUAJNPKD-UHFFFAOYSA-N 357.414 1.034 0 40 FDAB O=C1CN(C(=O)CN2CCCN(CC(F)F)CC2)c2ccccc2N1 91083044 OCICKZLRHYQNTP-UHFFFAOYSA-N 352.385 1.245 0 40 FDAB C[C@](O)(C(=O)NCCn1c(C2CC2)n[nH]c1=S)c1cccc(F)c1 81422552 NOSSALNPVYZLMC-MRXNPFEDSA-N 350.419 1.981 0 40 FDAB COc1ccccc1-n1nnnc1SCc1nnnn1-c1ccccc1 8313067 JMMQEPNSGUCDDV-UHFFFAOYSA-N 366.410 1.939 0 40 FDAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1nccs1 19853803 MEVKHDBMOPXSPS-UHFFFAOYSA-N 362.396 1.548 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccco1 72032629 TXFCJGYCRCZTRN-INIZCTEOSA-N 369.421 1.359 0 40 FDAB CC(C)(C)OC(=O)[C@H](O)CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 95456544 RSHDICADAPJTET-HZSPNIEDSA-N 363.410 1.380 0 40 FDAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-n2cn[nH]c2=O)c1 95942909 MVEIYLVOFJWVCO-OAHLLOKOSA-N 357.414 1.536 0 40 FDAB CS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1 306123605 ARJOSEQPWOEOKO-IAGOWNOFSA-N 372.462 1.125 0 40 FDAB COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(C(=O)O)sc2C)n1 547962039 XWPYEOTWUCSKSZ-MRVPVSSYSA-N 359.429 1.959 0 40 FDAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C 67870911 SOZNBMHVMPDFQK-WNRNVDISSA-N 352.523 1.515 0 40 FDAB biogenic,in-vitro O=C(O)[C@H]1CCCC[C@H]1C(=O)OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)O 3843346 PDZQDZYDKNSOJM-LVEBTZEWSA-N 370.398 1.855 0 40 FDAB biogenic C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cccn3)cc2)C1 32491635 KFHNZDRRFNOVMY-CQSZACIVSA-N 362.455 1.942 0 40 FDAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(F)c(F)c1F 35267938 YEMJAWVAFWEEHC-ZDUSSCGKSA-N 371.359 1.366 0 40 FDAB Cc1ccc2oc(C(=O)Nc3nc(S(C)(=O)=O)ns3)cc(=O)c2c1 32593574 COFKAHZCJKLMBZ-UHFFFAOYSA-N 365.392 1.609 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@H](O)c3ccc(F)c(F)c3)cnc12 31297234 FWEUGBSTKOOLKN-INIZCTEOSA-N 373.359 1.833 0 40 FDAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccccc2F)CC1 70461888 VTTKBZOJGUTXGU-UHFFFAOYSA-N 366.400 1.951 0 40 FDAB O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1COc2ccccc2O1 138899866 ZNUOISOGOILODA-HXUWFJFHSA-N 368.433 1.975 0 40 FDAB CC(=O)NC[C@@H]1CN([C@H](C(=O)O)c2cc(Cl)cc(Cl)c2)CCO1 569130719 XJYOOFLLGJXCTO-KGLIPLIRSA-N 361.225 1.956 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C[C@H](C)O1 40039858 LOKYPKOGDUUIIX-KBPBESRZSA-N 373.906 1.816 0 40 FDAB O=C([C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2)N1CCCN(c2cccnn2)CC1 527487275 GYUGSMQDSXORPL-QHSBEEBCSA-N 370.375 1.871 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3ccccc3F)cc2)n1 44919111 XMDDGLKHUMJXEU-UHFFFAOYSA-N 354.345 1.271 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CCOCC1)C2 96050203 ZCLSNAOCICGQJY-FQEVSTJZSA-N 372.469 1.148 0 40 FDAB CCN1C[C@H]2CCN(C(=O)COc3ccccc3)CC[C@H]2S1(=O)=O 96145533 ZZYUAZCCQYNPDW-GDBMZVCRSA-N 352.456 1.338 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224353 UVGUZYTUUHCDCP-LJQANCHMSA-N 351.410 1.527 0 40 FDAB c1ccc(CN2CCOC[C@]3(C[C@H](CNc4ncccn4)CO3)C2)nc1 96240493 UJIVQZOAGQGYIW-APWZRJJASA-N 355.442 1.591 0 40 FDAB CCS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96219146 GKJXRFWIZATTJK-MRXNPFEDSA-N 356.488 1.898 0 40 FDAB COCCN1CC2(CCN(C(=O)N3CCCC3)CC2)[C@@H](COC)C1=O 96208237 TWJAMDPUYMNMRM-HNNXBMFYSA-N 353.463 1.036 0 40 FDAB Cc1cnc(C(=O)N2Cc3ccnn3[C@H](COCC3CCOCC3)C2)cn1 253601255 NMLFMLSOVXKAOU-KRWDZBQOSA-N 371.441 1.622 0 40 FDAB NCCCOc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 257235264 GXCLBHSYDODLRC-RTBURBONSA-N 356.422 1.679 0 40 FDAB Cc1cnc([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)s1 257291963 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19287883 FGJISIGCGBRLLD-CYBMUJFWSA-N 358.442 1.972 0 40 FDAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3ccncc3)C1)CNC2=O 19562880 RHIHAOSKXADCFH-FQEVSTJZSA-N 367.405 1.887 0 40 FDAB CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3cccnc3)ncc2C1 19590359 ZCRNRZZRMXEXME-QGZVFWFLSA-N 373.482 1.775 0 40 FDAB CCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699791 ITKAQDQTDHMVJG-HNNXBMFYSA-N 364.490 1.430 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 515283105 IRIFUTXWBYDCRB-HNNXBMFYSA-N 357.458 1.493 0 40 FDAB CO[C@]1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CCSC1 225623646 LBRQIDBVWXPFFF-INIZCTEOSA-N 357.497 1.661 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643670902 QNBKMEFQVUPADZ-ZDUSSCGKSA-N 350.448 1.110 0 40 FDAB COCCNc1cc([C@@H]2CCCN(C(C)=O)C2)nc(-c2cnccn2)n1 19017025 GFZJSLMEGZSFBP-CQSZACIVSA-N 356.430 1.718 0 40 FDAB CC(=C\C(=O)O)/C=C(\C)C[C@](C)(O)CCCC[C@@H](O)[C@H](CO)C(=O)O 253390588 NFWPIHPKFCOGJO-ATANMFFLSA-N 358.431 1.719 0 40 FDAB biogenic,in-vitro COc1ccc(-n2ccn3c(=O)n(C[C@@H]4CCCOC4)nc3c2=O)cc1 1888885416 HNJKZBVLJRZLDU-ZDUSSCGKSA-N 356.382 1.082 0 40 FDAB CCc1cc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)ncn1 1888890750 ZAHGYZQDVKZDFJ-UHFFFAOYSA-N 364.457 1.958 0 40 FDAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)NC[C@H]1CCCCCN1 1262579476 QULGGZAMTCHACS-ZWKOTPCHSA-N 358.486 1.867 0 40 FDAB Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)nn1-c1ccc(F)cc1 1262826785 QYVDMUHRMBRWFB-UHFFFAOYSA-N 353.375 1.122 0 40 FDAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775986161 YHFBNFVNNQRYFL-NSHDSACASA-N 362.336 1.398 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007747 CFFASJGYQGCLNX-LBPRGKRZSA-N 372.347 1.638 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 1565545249 CAMFRLKRVPIDCB-QFBILLFUSA-N 369.425 1.428 0 40 FDAB C[C@@]1(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)CC=CCC1 1565552550 ZLHSJHUAVHDHJR-GOSISDBHSA-N 354.414 1.736 0 40 FDAB Cn1c(=O)c2nc(SCc3ccc(Cl)cc3)n(C)c2n(C)c1=O 4571056 NCQSIHYMDWOLLH-UHFFFAOYSA-N 350.831 1.916 0 40 FDAB CCOc1cccc2s/c(=N/C(=O)CN3C(=O)CCC3=O)n(CC)c12 12378123 WQGMUQWACZYHNT-ISLYRVAYSA-N 361.423 1.698 0 40 FDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC[C@@H]1CCCO1 12440180 KSCXZRACFQHTMX-HNNXBMFYSA-N 367.409 1.268 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)no1 2055745637 PTDGAQSGWFBMQD-GFCCVEGCSA-N 358.398 1.931 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]2C1 2055731572 GLRCBTISRNAYFK-YQQAZPJKSA-N 354.410 1.916 0 40 FDAB O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccco1)N1CCOCC1 36079000 WUPHSNKMIRKMJF-INIZCTEOSA-N 350.440 1.773 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CN2CCC(COC)CC2)n1 264819695 DCQKNEJUCNCJSZ-UHFFFAOYSA-N 355.460 1.546 0 40 FDAB CCCCc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)s1 206252677 GYCFPLHRBCTGMQ-GFCCVEGCSA-N 373.438 1.960 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1Cn1cccn1 40153110 XXHSGSPCQIUVNW-AWEZNQCLSA-N 352.394 1.959 0 40 FDAB O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)NC2CC2)o1 30568976 SUNSUURDIXZIPX-UHFFFAOYSA-N 354.413 1.702 0 40 FDAB 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CCN(C(=O)COc1ccc(C(C)=O)cc1OC)[C@H]1CCS(=O)(=O)C1 7200952 ZTTNKPXARSJPIZ-AWEZNQCLSA-N 369.439 1.312 0 40 FDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)n1 860055 DLZGGVMFHTYWQY-UHFFFAOYSA-N 364.383 1.389 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1 956180 BAKQYXOZTXNIPX-UHFFFAOYSA-N 364.785 1.519 0 40 FDAB O=C(Nc1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 54450408 LIZOXVXRNKXVLB-UHFFFAOYSA-N 364.402 1.759 0 40 FDAB COC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12460399 VIALWFCXECRMMS-UHFFFAOYSA-N 367.361 1.505 0 40 FDAB NC(=O)c1nn(CC(=O)Nc2cccc3cccnc23)c(=O)c2ccccc12 9550072 OAMABNKJRFILOK-UHFFFAOYSA-N 373.372 1.682 0 40 FDAB CC1(NC(=O)/C=C\C(=O)O)CCC(C(C)(C)NC(=O)/C=C/C(=O)O)CC1 104389710 CDUVZYADGAPCSX-GUBXDBFYSA-N 366.414 1.228 0 40 FDAB CC(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 21596144 OKBMSJVKFISGRF-UHFFFAOYSA-N 353.316 1.925 0 40 FDAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)on2)c1=O 57427135 NQRSLJMSJRKYMI-UHFFFAOYSA-N 362.411 1.960 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)Nc1ccc2c(c1)OCCO2 58268931 PZUIXGJIDUJCKW-UHFFFAOYSA-N 352.354 1.755 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NC[C@H]1COc2ccccc2O1 58357515 VXWJJYJEQLZBAF-HNNXBMFYSA-N 356.378 1.869 0 40 FDAB Cc1cccc2nc(C(=O)NCc3ccc(N4CCOCC4)nc3)cn12 10719389 LWLHSBLJUZRRIQ-UHFFFAOYSA-N 351.410 1.804 0 40 FDAB COc1cc2ncn(CCC(=O)Nc3cccnc3)c(=O)c2cc1OC 36359615 ZZBNVRNNEIVCAW-UHFFFAOYSA-N 354.366 1.838 0 40 FDAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O 2359016 VUGAMOPKCDRVGL-GFCCVEGCSA-N 351.362 1.697 0 40 FDAB COc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc(OC)c1 10997500 KWDBLFHYUGPHNG-QWRGUYRKSA-N 371.411 1.009 0 40 FDAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1cc(F)ccc1F 3321421 KRFYLOJYRTWCHZ-UHFFFAOYSA-N 373.319 1.800 0 40 FDAB COc1cc([C@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)ccc1O 8770421 FNWGZLSTQXDWAB-HNNXBMFYSA-N 363.395 1.432 0 40 FDAB COC(=O)c1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 3649467 AQHKXFZTZOXKER-UKTHLTGXSA-N 353.359 1.745 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 5091445 FXKOEGOMRUZZAP-KRWDZBQOSA-N 358.354 1.612 0 40 FDAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)N1CCOCC1 19956995 LKBCBMUPJMORIU-UHFFFAOYSA-N 371.422 1.060 0 40 FDAB Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCS(=O)(=O)C2)no1 39998377 LSBMUCQGZYINQU-NSHDSACASA-N 367.452 1.587 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 5212121 BUQVSQFHFAWWOD-NXEZZACHSA-N 352.387 1.211 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)NC3=NCCS3)c2)[C@H]1C(=O)O 71286772 UDUNDEBFTYGEQQ-NEPJUHHUSA-N 361.423 1.815 0 40 FDAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 306143388 YAYHVFJPZKKEGW-FUHWJXTLSA-N 359.470 1.558 0 40 FDAB CCCN(C(=O)COC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 7786254 DVAPYSPUCPQCPZ-HNNXBMFYSA-N 353.440 1.578 0 40 FDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 8501329 NVLHOGKIQBGRCL-UHFFFAOYSA-N 366.377 1.728 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2ccccc2O1 9531942 DIGONLHLMPDEHU-CQSZACIVSA-N 354.334 1.406 0 40 FDAB 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FDAB COc1ccccc1N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 264641474 VMARIKSBNBGFSY-AWEZNQCLSA-N 357.376 1.980 0 40 FDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nncs2)n1 49548214 LWFKRRJBLBUQJY-UHFFFAOYSA-N 361.358 1.548 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3cnn(C)c3)C[C@H]1CN(CCOC)C2 96055959 NCGGVGWKDOKAFX-HKUYNNGSSA-N 364.490 1.144 0 40 FDAB c1cc(CN2CCOC[C@@]3(C2)CN(Cc2nccs2)CCO3)ccn1 96049831 GMKULKWDVJVRAR-GOSISDBHSA-N 360.483 1.642 0 40 FDAB CCCCS(=O)(=O)NC[C@H]1COCc2c(-c3ccoc3)nnn2C1 96199395 UZFOINBKSLJZTN-GFCCVEGCSA-N 354.432 1.404 0 40 FDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)nn1 96042778 SSBXBOFUSIKYFY-GVDBMIGSSA-N 353.426 1.480 0 40 FDAB Cc1cccc(CN2CC3(CCN(Cc4cnn(C)c4)CC3)OCC2=O)n1 96062177 URNXKZCUTVONJK-UHFFFAOYSA-N 369.469 1.517 0 40 FDAB Cc1c(NC(=O)c2cnc3[nH]nnc3c2)cccc1C(=O)N1CCOCC1 536654118 GLHFTASVLZGMRC-UHFFFAOYSA-N 366.381 1.386 0 40 FDAB OC[C@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]12 245204642 FMZUHGYZWYNSOA-GNVSMLMZSA-N 358.390 1.937 0 40 FDAB C=CC(=O)NC1[C@H]2CC(NC(=O)OC(C)(C)C)C[C@H]1CS(=O)(=O)C2 585122704 MNHNLEADEVOVMO-PZFKGIAWSA-N 358.460 1.005 0 40 FDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2cnn3cccnc23)n1 257217680 DABXQPLRUZKPRI-OAHLLOKOSA-N 351.414 1.558 0 40 FDAB Cc1ccccc1C(=O)NC[C@]1(O)CCN(c2cc(N(C)C)ncn2)C1 257274778 NMPDGYGYPIMUCP-LJQANCHMSA-N 355.442 1.222 0 40 FDAB COCc1c(C(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)noc1C 257242912 IERXJGHFNXNSDA-INIZCTEOSA-N 359.430 1.958 0 40 FDAB Cc1cc(-c2nccs2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257261720 LINQFDDRHGAFDW-LBPRGKRZSA-N 353.473 1.852 0 40 FDAB Cc1ccsc1C(=O)N1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257328134 XEHPYMHVLPVSOW-SNVBAGLBSA-N 355.441 1.397 0 40 FDAB C[C@@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C[C@H]1n1ccnc1 268361145 HCZAONMFSQOTMU-CZUORRHYSA-N 367.409 1.408 0 40 FDAB CCN1C(=O)CC[C@H](CNC(=O)c2cnnc(C)c2)[C@H]1c1nccn1C 1775959455 YYDXMAUWFSBFMV-CJNGLKHVSA-N 356.430 1.248 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCN(c3cc(C)nn3C)C1=O)C2 636860352 ROMVMMDSLWIVTH-OAHLLOKOSA-N 369.425 1.568 0 40 FDAB CC(C)c1ccsc1C(=O)N1CCN(C(=O)N2CCNCC2)CC1 638479172 CFIYZFXEJCBNFU-UHFFFAOYSA-N 350.488 1.655 0 40 FDAB Cc1ncsc1CCC(=O)N1[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 1615545661 CKENBLGVTSLSKJ-KKUMJFAQSA-N 363.483 1.765 0 40 FDAB Cc1noc(COC2CN(C(=O)c3ccc(O[C@@H]4CCOC4)cc3)C2)n1 644210525 RNDGVRRVMRXTGT-OAHLLOKOSA-N 359.382 1.587 0 40 FDAB CN1CC[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)S1(=O)=O 648292150 UPUXREZPHGUGIT-SSDOTTSWSA-N 368.299 1.364 0 40 FDAB Cc1noc(C(F)F)c1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 648456112 ZHSUPVMRGSCNIY-VIFPVBQESA-N 372.349 1.885 0 40 FDAB NS(=O)(=O)c1sccc1C(=O)NC[C@@H](O)CCc1ccccc1 1154121400 PJJWPOAAEZIWCY-LBPRGKRZSA-N 354.453 1.119 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]21)c1ccsc1 575402508 BIPJFUPRHPQHIO-DJIMGWMZSA-N 372.446 1.971 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)cc1 57398950 OYFXLALEGTWOHG-CQSZACIVSA-N 353.426 1.828 0 40 FDAB O=C1NC(=O)[C@H](Cc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)N1 95462726 TVSNBDQEXRBZTF-LBPRGKRZSA-N 369.312 1.814 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153250 CFZLKLWLIRJTQW-IBGZPJMESA-N 372.400 1.447 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1OC 12219451 MSPBOUXLMVQTHH-HIFRSBDPSA-N 368.455 1.335 0 40 FDAB Cc1nnc(SCC(=O)N2CCC(C(=O)c3ccnn3C)CC2)s1 12337220 XHQBSHPXUZUYAK-UHFFFAOYSA-N 365.484 1.794 0 40 FDAB Cn1c(=O)n(C)c2cc(C(=O)CSc3ncccc3C(=O)O)ccc21 12428044 FLMLCUDOHXUZMC-UHFFFAOYSA-N 357.391 1.945 0 40 FDAB CCc1nnsc1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19521858 CTNYPCOEYBICIB-NSHDSACASA-N 359.455 1.623 0 40 FDAB CN(C)C(=O)Cn1cccc(C(=O)Nc2ccc3ncn(C)c3c2)c1=O 19750019 JIHLBDJVHRJWRN-UHFFFAOYSA-N 353.382 1.076 0 40 FDAB Cc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)ncc1C(N)=O 19758305 SQOJAACLPLIZCN-NSHDSACASA-N 364.402 1.201 0 40 FDAB Cc1ccccc1OCC(=O)NC[C@@H](c1cccn1C)N1CCOCC1 21152514 GIHCRIRMUMDHFC-SFHVURJKSA-N 357.454 1.902 0 40 FDAB O=c1c(=O)n(C2CCCC2)ccn1Cc1cn(-c2ccc(F)cc2)nn1 1888881862 UAIHMPFNHLLZGE-UHFFFAOYSA-N 355.373 1.893 0 40 FDAB Cc1sc2ncnc(N3CCO[C@H](C(=O)N4CCOCC4)C3)c2c1C 1889122715 LAIFRDUWTAEEIU-ZDUSSCGKSA-N 362.455 1.372 0 40 FDAB O=c1ccc(-c2ccccc2)nn1C1CCN(CCn2nccn2)CC1 1776001167 BTKBZKYYDUXEPB-UHFFFAOYSA-N 350.426 1.839 0 40 FDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1cccc2nsnc12 238826028 DTPLFROUPPHLCW-LLVKDONJSA-N 352.445 1.286 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565544924 USWBEAQRGVDBCR-UHFFFAOYSA-N 355.442 1.201 0 40 FDAB Cc1ccc(N2C[C@]3(COCCN(C(=O)CCF)C3)OCC2=O)s1 1565556120 NLCVVHTWUKSIHE-MRXNPFEDSA-N 356.419 1.377 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 1565544790 RHJDZIQHDRBDFG-FQBWVUSXSA-N 357.454 1.023 0 40 FDAB O=C(Cn1ccn(C2CCCCC2)c(=O)c1=O)NCCc1ccccc1 1775968799 WTBUQWSNMKZZOX-UHFFFAOYSA-N 355.438 1.874 0 40 FDAB Cn1nccc1-c1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cn1 575621701 RJKPFPWSXFHSCJ-UHFFFAOYSA-N 359.393 1.993 0 40 FDAB CN1c2ccccc2N(C2CCN(C(=O)[C@H]3CCOC3)CC2)S1(=O)=O 390832507 ZTZRGAXVTJHUKD-ZDUSSCGKSA-N 365.455 1.215 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccnn1Cc1cccs1 40160113 HVZJTKSHEMHHGL-KBPBESRZSA-N 370.434 1.883 0 40 FDAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1-n1cnnn1 40284221 GJSPWTKUEWFBOC-LBPRGKRZSA-N 357.399 1.926 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(O)c1 32094939 CESKTDLPONDNOW-CYBMUJFWSA-N 353.378 1.500 0 40 FDAB CC(C)[C@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O 101413334 VUJBBBMEBUPHEF-CQSZACIVSA-N 358.423 1.883 0 40 FDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCc2sccc2C1 32765002 LKTAZGHECCGUJE-UHFFFAOYSA-N 354.453 1.853 0 40 FDAB CCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 32848287 BGAPMUGXDJZUML-LBPRGKRZSA-N 356.444 1.940 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)NCc1nc2c(s1)CCCC2 78733249 GYJVNOVSUZNLDI-UHFFFAOYSA-N 371.509 1.678 0 40 FDAB CCOC(=O)Cc1nnc2c(Nc3ccc(F)cc3)nc3nonc3n12 3012989 CSKCSVFOKGWAGR-UHFFFAOYSA-N 357.305 1.649 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)COc2ccc(C)cc2C)CC1 22276858 JYSMXXONLKROFF-OAHLLOKOSA-N 362.426 1.305 0 40 FDAB C[C@H](C(=O)O)n1ccc2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)ccc21 6958098 ILJWOMFWRQRQNL-SNVBAGLBSA-N 371.418 1.886 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@@H]3c3ccsc3)cnc21 46911502 GENFOVCYOQEUQT-CQSZACIVSA-N 357.439 1.945 0 40 FDAB NC(=O)COc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1 7580977 XGIPYQKJTQRHOP-UHFFFAOYSA-N 370.405 1.457 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 8476032 FOFKDCIKXNHUSA-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB CCOP(=O)(N[C@]1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC)OCC 12411269 BGNIUOFCUGLIBP-NSHDSACASA-N 374.252 1.635 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nccs2)CC1 23758118 UINBRIKFGHZFJN-UHFFFAOYSA-N 351.453 1.509 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)OCc2nc(-c3ccsc3)no2)C1=O 24078972 DKSYQYKHCMBRGA-OAHLLOKOSA-N 364.383 1.562 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3)[C@H]4C2=O)no1 106021904 KUCXECHSLQLWLB-HSSOGYSNSA-N 365.389 1.586 0 40 FDAB COC(=O)COc1cccc(NC(=O)c2cnc3ccc(C)cn3c2=O)c1 25468645 IHQPXUSDXZXMJY-UHFFFAOYSA-N 367.361 1.807 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1Br 100502146 RSJFUECLXYFTIV-RSUWNVLCSA-N 364.195 1.563 0 40 FDAB CNCCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1 57234776 ZBKUTPVFRKGMSV-UHFFFAOYSA-N 360.252 1.021 0 40 FDAB COC[C@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 27472826 AQLHMDWFBGREJN-ZFWWWQNUSA-N 374.528 1.546 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)CN2CCc3ccccc3C2)C1=O 58185388 AONBUQJSBSLUFW-OXJNMPFZSA-N 369.421 1.466 0 40 FDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1OC 58231367 BLBKGADFDVQWOX-ZDUSSCGKSA-N 351.428 1.963 0 40 FDAB Cc1nnc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1C 58224366 RKTKWEKTCLNMID-UHFFFAOYSA-N 356.426 1.990 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NCc1ccccc1)C2=O 3595702 UQNNZVRBQMEIDG-YJYMSZOUSA-N 372.425 1.513 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)NC1Cc2ccccc2C1 13731905 WHIODGLOGAHHSM-UHFFFAOYSA-N 361.405 1.549 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)NCc2ccc(OC)cc2)c2ccccc2O1 39992503 YBDGKKYMJSLZRI-GOSISDBHSA-N 369.421 1.325 0 40 FDAB C[C@H](COCC(F)(F)F)NS(=O)(=O)N1CCc2ccccc2C1 67430227 XNDWZAJBTBQZCY-LLVKDONJSA-N 352.378 1.847 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 80294316 NNDKSHQTHKFUPK-USXIJHARSA-N 366.483 1.832 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCCC[C@@H]2C)c(=O)[nH]c1=O 7525025 WQEWKERAESHGDD-ZDUSSCGKSA-N 365.478 1.146 0 40 FDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1ccccc1=O 7719177 WTPVPGGAAJSFNB-UHFFFAOYSA-N 371.393 1.107 0 40 FDAB CC[C@@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365067 UNFIDFDYJAICAL-ORAYPTAESA-N 374.441 1.571 0 40 FDAB CN(C)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 8225531 VILBNDKIBLOJOI-UHFFFAOYSA-N 353.469 1.897 0 40 FDAB O=C(CCn1cncn1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96937230 QLXRHDIQLBRPEF-GXDHUFHOSA-N 371.422 1.521 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)cc1 408596403 UUKZNIQSQYBKJU-CHWSQXEVSA-N 358.460 1.293 0 40 FDAB Cc1cc2c(N3CCN(C(=O)CCn4cncn4)CC3)ncnc2s1 187107229 IFIVARXCBBKCCP-UHFFFAOYSA-N 357.443 1.330 0 40 FDAB Cc1cc(N2C[C@@H](C(=O)N(C)CCN3CCCC3=O)CC2=O)ccc1F 540952283 CYWOVAMMGJCLGO-AWEZNQCLSA-N 361.417 1.568 0 40 FDAB CO[C@@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@H](C(=O)O)C1 568290510 LJKPVXKHWXTALA-NEPJUHHUSA-N 361.354 1.529 0 40 FDAB COCCN1C(=O)N[C@H]2CN(Cc3cccc4c3OC(F)(F)O4)CC[C@H]21 565821582 WGJNMELXNGYEQN-QWHCGFSZSA-N 369.368 1.623 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[S@@](C)=O)cc2)CC1 181618791 CMLPHDGZNBBFPO-OYLFLEFRSA-N 351.516 1.714 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2)cc1OC 71016670 WHXXHYVGRVBGIK-UHFFFAOYSA-N 368.386 1.760 0 40 FDAB CCOC(=O)CN1CCCN(C(=O)CCn2cnc3ccccc32)CC1 75582039 NSMZWHDXNXUALB-UHFFFAOYSA-N 358.442 1.524 0 40 FDAB Cc1ccccc1OCCC(=O)N1CCn2c(nnc2[C@H]2CCCN2)C1 72373953 IPYZDAPDWLKFGA-OAHLLOKOSA-N 355.442 1.822 0 40 FDAB O=C(CNCCN1CCOCC1)Nc1ccccc1N1CCCCCC1 35311421 SJLZJQOVAYNHAJ-UHFFFAOYSA-N 360.502 1.927 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 137590304 WJZJAHCUBCVAQP-AVYPCKFXSA-N 373.453 1.870 0 40 FDAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859662 YRIPRPADHZTQCP-UHFFFAOYSA-N 374.374 1.484 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CCCC3)C2=O)cc1 96231553 UTDURAGJIAUUDF-INIZCTEOSA-N 359.426 1.607 0 40 FDAB O=c1cc(Cn2cncn2)nc2n1CCCN(Cc1ccc(F)cc1)C2 96086882 HJMAGUNRBWWYLD-UHFFFAOYSA-N 354.389 1.428 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242400312 ATYDAPZGAJGXBD-SOLBZPMBSA-N 361.419 1.665 0 40 FDAB NCC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257216145 CTHSGZVXVKQLJJ-SNVBAGLBSA-N 366.347 1.909 0 40 FDAB O=C1CO[C@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H]2N1C1CCOCC1 257324623 WPMPHPRHQPRLJD-OALUTQOASA-N 355.438 1.759 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@](O)(CN2CCOCC2)CC1 257342501 ZOZAQGIIMQBFBS-LJQANCHMSA-N 358.442 1.252 0 40 FDAB CN(C)c1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257248024 JBRZMARPHCWXHT-MRXNPFEDSA-N 355.442 1.963 0 40 FDAB CN(C)[C@H]1CC2(CCN(C(=O)Cc3ccsc3)CC2)OC[C@]1(C)O 257260618 LDQNFXAOVSJRBG-RDJZCZTQSA-N 352.500 1.753 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@H](Cc3cnc(-c4nccn4C)cn3)C2)cn1 257315657 VCHMTYZKFPPSIL-AWEZNQCLSA-N 363.425 1.680 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@](C)(O5)[C@H]1O 253505466 WVIJKZGJRVKCQR-MIVQBHLGSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro CCn1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)c(C)n1 257266725 MEEZGQYVLBZDBA-UHFFFAOYSA-N 356.474 1.816 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)N(C)C3CCOCC3)nc(C)n2)CC1 257227501 FPOYKLDGSUUHCY-UHFFFAOYSA-N 374.485 1.936 0 40 FDAB CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257317946 VLVJXGLZHXPFOD-JFIYKMOQSA-N 356.426 1.726 0 40 FDAB C[C@@H](Oc1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1F)C(=O)O 630261083 YGZIKSHTPGDPKH-MRVPVSSYSA-N 351.338 1.671 0 40 FDAB CN(CCNS(C)(=O)=O)C(=O)c1cc(-n2cccc2)ccc1Cl 1120047731 NQMMEBWDXZSHOR-UHFFFAOYSA-N 355.847 1.752 0 40 FDAB CC(C)C[C@@](C)(CC(=O)O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 634919751 UDLYYELBAGQNNT-INIZCTEOSA-N 362.492 1.396 0 40 FDAB COC[C@]1(C(N)=O)CCCN1Cc1ccc(OC)c(Br)c1 643763340 ZZKXBQNIVKDOJR-HNNXBMFYSA-N 357.248 1.924 0 40 FDAB CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1 603154283 KDBAZDHZSCZYKT-CTDFLQNYSA-N 356.426 1.553 0 40 FDAB COc1ccc(-c2nccc(N3CCC4(CC3)NC(=O)[C@@H](C)O4)n2)cc1 1615589210 JSTUHAUYEWOHKB-CYBMUJFWSA-N 354.410 1.984 0 40 FDAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CC(F)(F)C3)C2)o1 585110874 SBOWIUYVIMCJMF-CYBMUJFWSA-N 350.369 1.898 0 40 FDAB CN(C)C(=O)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 585109794 UWXKPANGDUKKSU-TXPKVOOTSA-N 367.453 1.008 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2cccn2C1 585095194 HBOYKEAIGBOCJV-HNNXBMFYSA-N 365.499 1.886 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@@H]2OCC[C@H]21 585109304 IEVUQICQQJJYOI-UXLLHSPISA-N 370.409 1.232 0 40 FDAB Cc1cccc(CC(=O)N2CCOC[C@](O)(COc3ccccc3C)C2)n1 585278540 UMHLGZKWWJCHTF-NRFANRHFSA-N 370.449 1.910 0 40 FDAB C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1nnc2ccccn12 48331776 UVBVVJYXYMIAGT-SNVBAGLBSA-N 354.395 1.378 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1 52329654 ZZEXTAFGOCNANX-UHFFFAOYSA-N 350.352 1.745 0 40 FDAB Cn1cc(C[C@H]2CCN(C(=O)c3cccc(CN4CCOCC4)c3)C2)cn1 673744965 FSYOYZJPFFQGTI-GOSISDBHSA-N 368.481 1.957 0 40 FDAB COCCN1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)n2nccc21 1772596158 MGWAYDWJMVKQRE-UHFFFAOYSA-N 368.437 1.898 0 40 FDAB CN(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272492 XPGDCJINWBYLCP-UHFFFAOYSA-N 358.419 1.880 0 40 FDAB Cn1c(CSc2nnnn2-c2cccc(Cl)c2)cc(=O)n(C)c1=O 11522188 UQWVZUNXOHNBAA-UHFFFAOYSA-N 364.818 1.005 0 40 FDAB O=C(c1ccccn1)N1CC[C@@H](c2cc(O)nc(N3CCOCC3)n2)C1 12367170 IDHNGDXWIVDUJW-CYBMUJFWSA-N 355.398 1.044 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)c1 12811271 ZQJLYQLIAYOBCA-INIZCTEOSA-N 366.464 1.860 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1C 13360020 AEIYOCJBLOOLMQ-UHFFFAOYSA-N 362.407 1.919 0 40 FDAB O=C(c1ccccc1F)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19347635 LSIFTUMNTDUPHX-CYBMUJFWSA-N 355.329 1.879 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406878 UISDRSDIZZTEAF-QNWHQSFQSA-N 373.379 1.841 0 40 FDAB CCNC(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19528334 MGLIVVMZKWNDBP-OAHLLOKOSA-N 359.470 1.819 0 40 FDAB Cc1csc(N2CCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC2)n1 152030113 MVBJOQQWPJFTAR-UHFFFAOYSA-N 374.470 1.902 0 40 FDAB CCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@H](C)C2 4035315 SHRXVYJACCCYQU-SNVBAGLBSA-N 355.485 1.251 0 40 FDAB C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@]12CCN(c1ccsc1)C2=O 1614936114 YFOCLXLAIIJSAK-AUUYWEPGSA-N 371.462 1.811 0 40 FDAB COc1cccc(N2CCN(c3ncnc4c3n(C)c(=O)n4C)CC2)c1 2087043813 NWAXWXIUZYGZET-UHFFFAOYSA-N 354.414 1.002 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)C2(F)CCC2)[C@@H]2CCO[C@H]12 1565552691 SQJNRKXQDMBGLA-RRFJBIMHSA-N 354.422 1.037 0 40 FDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2 3043489 PGESINMPRXCOLU-UHFFFAOYSA-N 361.423 1.425 0 40 FDAB O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccccc2F)CC1 4059786 MDAYFIVWTRFDHQ-UHFFFAOYSA-N 360.414 1.451 0 40 FDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495985 KLRHCGMCXQQKSN-ZDUSSCGKSA-N 371.368 1.844 0 40 FDAB NC(=O)c1oc2ccccc2c1NC(=O)CS(=O)(=O)c1ccccc1 4496369 IMLQQNFMJIBHAG-UHFFFAOYSA-N 358.375 1.944 0 40 FDAB COc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@H]1CS(=O)(=O)C[C@H]14 4593511 HGRQOINXIAPQCS-MNOVXSKESA-N 363.420 1.330 0 40 FDAB Cc1nc(C(=O)N[C@@H]2CCc3onc(C(=O)N4CCCC4)c3C2)cs1 2055739327 RFMZCBLXBNNZLE-LLVKDONJSA-N 360.439 1.963 0 40 FDAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(=O)[nH]n1 207996997 AXWFEXBHUWDWFC-LBPRGKRZSA-N 353.338 1.059 0 40 FDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3OCC)c2n1 5271262 PSNCQKGPMIAPQP-UHFFFAOYSA-N 355.398 1.949 0 40 FDAB O=C(Cc1ccsc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633691 ADHXWUSUBQVUPM-UHFFFAOYSA-N 366.464 1.950 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)CO 40103678 SCLYPDYWWZAFGR-GFCCVEGCSA-N 373.475 1.618 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccnc1 32070177 MOVROMYQEILLLB-UONOGXRCSA-N 352.394 1.578 0 40 FDAB Cc1csc(CCNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)n1 102396392 JKLRNOMPOVIAIM-UHFFFAOYSA-N 360.464 1.960 0 40 FDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 32816094 IRMZXYGUELCKTK-QWRGUYRKSA-N 363.405 1.878 0 40 FDAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 22024836 YZIZUIKCOVMDGM-CRAIPNDOSA-N 369.421 1.955 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1ccnc(OCc2ccccc2)c1 53028983 QBRZEIZTFXKKBJ-UHFFFAOYSA-N 369.421 1.639 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1 8296911 FPONPRZKCOCGJH-FZMZJTMJSA-N 373.409 1.229 0 40 FDAB biogenic,in-vitro CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23227937 XVPRKFHFSNQACK-CYBMUJFWSA-N 363.433 1.942 0 40 FDAB O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@]46O 102954354 HCCFPODVEOBUMM-MHBAINHESA-N 350.418 1.413 0 40 FDAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1ccc2c(c1)OCO2 2957613 JZAGQYNSZCWBKP-UHFFFAOYSA-N 363.333 1.412 0 40 FDAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 24034516 SSMKKAOVCZPDRT-QGZVFWFLSA-N 351.406 1.774 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 24363783 KMMIEJDWPNETJA-UHFFFAOYSA-N 359.426 1.831 0 40 FDAB Cc1ccc(NCC(=O)Nc2ccc(C(N)=O)cc2)cc1-n1cnnn1 25742881 CVMRCMWNDPKWPG-UHFFFAOYSA-N 351.370 1.120 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)CCCn3cncn3)CC2)cc1 47828190 PQRZTXNVTQQTTQ-UHFFFAOYSA-N 357.414 1.052 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O)cc1 3290783 ZCYWGVFZWUZPOE-SFHVURJKSA-N 360.414 1.386 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58202038 UANMGHJYEDYWFJ-GFCCVEGCSA-N 367.471 1.162 0 40 FDAB Cn1c(COC(=O)CCC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 11151389 BTKMUVIDPLEFQP-UHFFFAOYSA-N 364.785 1.444 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 11371512 XVLBCKPDJAJAAC-LLVKDONJSA-N 366.491 1.930 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 45867445 SRKWUQFUWNHQTJ-ZYHUDNBSSA-N 350.385 1.356 0 40 FDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2=O)cc1 48354761 IPFDRMFUQLMISM-KRWDZBQOSA-N 351.406 1.640 0 40 FDAB CC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 11856598 LJDFPYVNFKOKLL-UHFFFAOYSA-N 356.378 1.523 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3460116 CRKGZOKMCXMINF-HXUWFJFHSA-N 363.373 1.750 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC[C@@H]1CCCO1 3420740 PODGVWGIDQSUKP-IFXJQAMLSA-N 357.410 1.065 0 40 FDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NC(=O)NCc1ccccc1 3497509 BEVARCWDXZTERR-MRXNPFEDSA-N 370.361 1.396 0 40 FDAB Cc1cc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)no1 13001967 UIEXLTMBIDODQE-QGZVFWFLSA-N 368.437 1.971 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)COC(=O)CCc1ccco1 17045395 JWVQIPMXWLPFNS-UHFFFAOYSA-N 351.380 1.798 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1OC 5008410 YRWNTYFTANXYCN-NSHDSACASA-N 368.411 1.280 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(F)cc1Cl 6101445 YHUGPWRJVIXYRR-UHFFFAOYSA-N 354.721 1.984 0 40 FDAB COc1cc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 14185622 GRDCWMLMPQHWTO-JOAKQRRISA-N 361.366 1.613 0 40 FDAB COCCCn1c(SCC(=O)N(C)Cc2ccc(C)cc2)n[nH]c1=O 14247177 OSIKRTOJIILUSW-UHFFFAOYSA-N 364.471 1.667 0 40 FDAB O=C(O)C1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 6816275 NIRXSVAVLWFEMY-UHFFFAOYSA-N 373.453 1.439 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)[C@@H]1C 7250911 SWVHDJRQBDSBSD-IOASZLSFSA-N 357.414 1.760 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2OC)c2ccccc2O1 7253096 SAAJKFNQEQJGIL-QGZVFWFLSA-N 355.394 1.647 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 8777236 VJHXXRFSDUOATI-OAHLLOKOSA-N 365.389 1.588 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1 8995618 DYMYEGALOCKDOM-UHFFFAOYSA-N 356.426 1.704 0 40 FDAB CN(CCn1c(=O)oc2cccnc21)Cc1cn(C)nc1C(F)(F)F 93204197 OFPNANGFNQIUPH-UHFFFAOYSA-N 355.320 1.874 0 40 FDAB O=C(NCCc1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 72401090 HMVXUNDMWYMPEZ-UHFFFAOYSA-N 351.414 1.095 0 40 FDAB CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 9699645 KMEPZMGKOKULBB-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB O=C(Cn1ccc(=O)c2ccccc21)NCC(=O)OCc1ccccc1 89836599 FLJXFMONLFSGCB-UHFFFAOYSA-N 350.374 1.861 0 40 FDAB CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 89984945 OULLXLKXHLQRLO-ZBFHGGJFSA-N 366.531 1.979 0 40 FDAB C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc2c(c1)OCO2 554375550 RHNRXDGVBOQSME-GXTWGEPZSA-N 355.460 1.337 0 40 FDAB COc1cc(N2Cc3ccnn3C[C@@H](OCc3cccnc3)C2)ncn1 306127299 FUOQENRASFIOBE-INIZCTEOSA-N 352.398 1.682 0 40 FDAB O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)cc2N1 524729037 AGUCDISQJNJIGG-IVMMDQJWSA-N 369.421 1.491 0 40 FDAB biogenic CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217463230 ROMADNSJSMQQOL-UHFFFAOYSA-N 374.459 1.273 0 40 FDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(-n2cccc2)cc1 675008021 NRONEQYJSCTFSY-INIZCTEOSA-N 373.420 1.924 0 40 FDAB NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)C[C@H]1c1ccccc1 516173956 QUTHRSRXHSMJNI-ILXRZTDVSA-N 367.396 1.027 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)C1(c2ccc(F)cc2)CCOCC1 147517401 IXPPGFFWGFTSOY-UHFFFAOYSA-N 370.446 1.026 0 40 FDAB O=C(c1cnccn1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061759 VMLVWXJGGQXEAY-QEEYODRMSA-N 361.405 1.274 0 40 FDAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(S(N)(=O)=O)cn1 332431444 JBTGDOYAJDZEFE-KGLIPLIRSA-N 355.460 1.395 0 40 FDAB O=C(CCCNc1ncccn1)N1CCN(CCc2ccccn2)CC1 95472647 BNNPYEJWFVHMIS-UHFFFAOYSA-N 354.458 1.451 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccncc4)C3)C2)nn1 96240563 SNPYKHLKJHRBOP-ICSRJNTNSA-N 369.469 1.900 0 40 FDAB CCOC[C@H]1C[C@@]2(COCCN2S(=O)(=O)c2cccc(F)c2)CO1 96078597 OOVIIUIGMBVCEV-GDBMZVCRSA-N 359.419 1.411 0 40 FDAB Cn1ccnc1[C@H](NC(=O)Cn1nnc2ccccc21)C1CCOCC1 583620530 LWGURUYNKWWJRO-QGZVFWFLSA-N 354.414 1.449 0 40 FDAB N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn(Cc3ccccc3)nn2)C1 583619782 HBAMSGQWJAKBJZ-TZMCWYRMSA-N 353.348 1.821 0 40 FDAB CCn1nccc1-c1cc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)ncn1 257210080 BTBSAOJMKKOXKP-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB Cc1cnn([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 584498833 HRUVSEIHQFOUJY-LBPRGKRZSA-N 362.411 1.158 0 40 FDAB CN(c1ccccc1)[C@H]1COC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 257341393 ZKDQMWLTYOTDQU-GOSISDBHSA-N 371.481 1.895 0 40 FDAB CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccc(-c2nnco2)c1 585084749 PUBZTGGYSRRZTB-AWEZNQCLSA-N 350.444 1.841 0 40 FDAB CCn1nc(C)c(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)c1C 257265359 LYIQCGHHUYPXLB-QZTJIDSGSA-N 359.426 1.842 0 40 FDAB CC(=O)N1CCCN(C(=O)c2c(-c3cccnc3)noc2[C@H](C)O)CC1 253400133 KTVALUQGPHBMLP-LBPRGKRZSA-N 358.398 1.484 0 40 FDAB biogenic,in-vitro Cc1csc(-c2ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc2)n1 656155843 GDSMVODRXDQXIM-GFCCVEGCSA-N 356.425 1.232 0 40 FDAB O=C(N[C@@H]1COc2ccc3ccccc3c2C1)[C@H]1CCc2nnnn2CC1 606444653 BIICYFXFDMZWGK-GJZGRUSLSA-N 363.421 1.899 0 40 FDAB CO[C@@H]1C[C@H](CNCCCc2ccc(C)nc2)N(c2cc(N)ncn2)C1 1775957610 DHXXMTLIGZJMGB-IAGOWNOFSA-N 356.474 1.578 0 40 FDAB CCN1C(=O)CC[C@H](CN[C@H](C)Cc2cnccn2)[C@H]1c1nccn1C 1775959806 YVBIYHBHQFCXQZ-RKVPGOIHSA-N 356.474 1.731 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1ccnnc1 585096345 JOQLNEKXXPMFBV-LBPRGKRZSA-N 366.381 1.413 0 40 FDAB CNC(=O)COc1ccccc1CN1Cc2ccccc2C[C@@H]1C(=O)OC 89386176 UMARHXWKORPCSJ-GOSISDBHSA-N 368.433 1.911 0 40 FDAB Cc1nc(N2CCN(CC(=O)c3cc(C)[nH]c3C)CC2)c2cnn(C)c2n1 106170479 KVPUIPYKAGJPCO-UHFFFAOYSA-N 367.457 1.622 0 40 FDAB O=c1cc2c(nn1CC1CCN(c3ncnc4c3CCC4)CC1)CCC2 585502068 JLQKURSANMJIKH-UHFFFAOYSA-N 351.454 1.927 0 40 FDAB CC(C)N1CCC(N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)CC1 1615156252 MJWDJDAEKRJDFH-PMACEKPBSA-N 357.498 1.971 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1c(F)cccc1F 5272464 CDKLOPCPUBKWHJ-UHFFFAOYSA-N 366.345 1.426 0 40 FDAB COc1ccc2c(C)c(CC(=O)NC[C@H]3CCCO3)c(=O)oc2c1OC 5348239 IXEWGDDNPLFSEF-GFCCVEGCSA-N 361.394 1.956 0 40 FDAB COc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 19555671 PVUMSCIGCWSRNF-UHFFFAOYSA-N 363.421 1.836 0 40 FDAB CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2cccc(Cl)c2Cl)C1 572729248 VMQMKTCQOXFTCR-PELKAZGASA-N 367.254 1.743 0 40 FDAB O=C(NC1CCCCC1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888879377 ISYBYVFVNSRCSH-KBPBESRZSA-N 355.446 1.535 0 40 FDAB O=C(NC1CCN(CCCS(=O)(=O)c2ccccc2)CC1)C1CC1 40152897 VFOCNQVOFNJTPX-UHFFFAOYSA-N 350.484 1.841 0 40 FDAB CC(C)N1CCCC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1=O 2037985874 ZIHBZXUSZUPLDO-LJQANCHMSA-N 361.442 1.479 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4305872 SNCCTANRURRUIJ-UHFFFAOYSA-N 350.378 1.172 0 40 FDAB COCCC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055704287 BHLCERKPTNJWKW-UHFFFAOYSA-N 356.426 1.876 0 40 FDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CC12CCOCC2 2055795994 GYKRBNJDOBHUEC-HNNXBMFYSA-N 373.453 1.947 0 40 FDAB C[C@H](C(=O)NCC1(CC(=O)O)CCCCC1)n1nnc2ccccc2c1=O 6760722 PLNLZJKEJPFNCB-CYBMUJFWSA-N 372.425 1.894 0 40 FDAB COc1ccc(NC(=O)NCCCNS(C)(=O)=O)c(C(F)(F)F)c1 40121821 IDCJMIODLQBKFX-UHFFFAOYSA-N 369.365 1.775 0 40 FDAB O=C1C[C@H](Nc2ccc(-n3cnnn3)cc2)C(=O)N1CCc1ccccc1 102664397 YTAGXAOAIIPMTO-KRWDZBQOSA-N 362.393 1.444 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2nc(C)cc(C)n2)nc1C 1480257 HJQKAGZFEYEJNH-CQSZACIVSA-N 356.386 1.388 0 40 FDAB Cc1cnc(CN2C[C@]3(CCCN(Cc4noc(C)n4)C3)CCC2=O)cn1 77472116 MMDNTQXZYVIPMN-LJQANCHMSA-N 370.457 1.881 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)NC(N2CCOCC2)=N1 2227370 DSNKIGLAVFZCKC-LBPRGKRZSA-N 371.224 1.509 0 40 FDAB COc1ccccc1C(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 3340914 SIOGQVQEACUGOM-UHFFFAOYSA-N 371.422 1.798 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387391 DAVNREGNPPKABN-JTNHKYCSSA-N 362.304 1.479 0 40 FDAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O 4778035 QOKXXIQSHLLVPF-SUMCQTLJSA-N 366.366 1.335 0 40 FDAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)C1 7247937 RCCLEFQIXZBSPZ-ZDUSSCGKSA-N 373.427 1.797 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCO1 22620649 WQPAIJONALGJRS-WFASDCNBSA-N 365.455 1.045 0 40 FDAB Cc1c(-c2ccnc(N3CCOCC3)n2)cnc2nc(C(F)(F)F)nn12 54201940 IUZZJMZNOYHTPC-UHFFFAOYSA-N 365.319 1.745 0 40 FDAB CN(C)CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22520100 FKIPKPMJQNCCOQ-UHFFFAOYSA-N 353.488 1.294 0 40 FDAB NC(=O)Cc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)cc1 55119397 OPRMAHPTUORPMH-QGZVFWFLSA-N 369.396 1.636 0 40 FDAB CNC(=O)C1(C(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)CC1 106013161 KCGPADHZLVZVHW-UHFFFAOYSA-N 365.861 1.519 0 40 FDAB CN(C)[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)Cc1ccccc1 56202860 LHZAXKVPDSSZPS-LJQANCHMSA-N 367.497 1.982 0 40 FDAB CC(C)CC(=O)N1CCC(NC(=O)Cn2c(=O)n(C)c3ccccc32)CC1 58173384 FGNNWQJKHJQRSK-UHFFFAOYSA-N 372.469 1.493 0 40 FDAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 100179748 ODFBEHSCYKFGNC-VOMKJEOTSA-N 356.422 1.800 0 40 FDAB CC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)O 2118762 ASSHIENCBYFCAY-LBPRGKRZSA-N 363.366 1.641 0 40 FDAB biogenic O=C1C[C@H](C(=O)N2CCCn3nccc32)CN1c1ccc2c(c1)OCO2 58434429 CBECVSSOEWOCNN-LBPRGKRZSA-N 354.366 1.402 0 40 FDAB COc1ccc([C@H](CNC(=O)C(F)(F)F)N2CCOCC2)cc1OC 58421401 VCDRIZIWLGPENS-LBPRGKRZSA-N 362.348 1.756 0 40 FDAB Cc1ccc(NC(=O)C[C@H](NCCN2CCOCC2)C(=O)O)cc1Cl 22458485 ALJAKCVTBQUEAO-HNNXBMFYSA-N 369.849 1.352 0 40 FDAB COC(=O)N1Cc2sc3nc(C)nc(NN)c3c2CN1C(=O)OC 2293380 VQYKMNJXYVLHSG-UHFFFAOYSA-N 352.376 1.351 0 40 FDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3-n3cnnn3)cn2)n1 48230123 JQMBISYIUJUJFU-UHFFFAOYSA-N 374.408 1.790 0 40 FDAB Cc1ccccc1-n1nnnc1C1(N2C[C@@H](O)C[C@H]2C(=O)O)CCCCC1 106017844 GMLDUIVPLYJQHJ-HOCLYGCPSA-N 371.441 1.650 0 40 FDAB COc1ccc(N2Cc3nc(=O)n(CC(=O)N4CCCCC4)n3C2=O)cc1 36359810 DRDLLRYYFFNDHA-UHFFFAOYSA-N 371.397 1.054 0 40 FDAB COc1cc(CNC(=O)CCN2C(=O)CCC2=O)ccc1OC(F)F 24077294 YHZTWKKDGCDGHD-UHFFFAOYSA-N 356.325 1.452 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1 10041765 WNHFTJUYRCFUNS-UHFFFAOYSA-N 355.346 1.768 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1 10385141 NWMWAJRYMKHCNA-NWDGAFQWSA-N 356.831 1.832 0 40 FDAB COc1cc(OC)nc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)n1 10900383 IGKGUGHNVJUNSK-UHFFFAOYSA-N 360.370 1.293 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)NC2CCN(CC(N)=O)CC2)cc1 45402270 NDIYVRWRCXRHAA-QGZVFWFLSA-N 360.458 1.491 0 40 FDAB Cc1cccc(C)c1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 11200603 AMWLBZNUQMYHKT-UHFFFAOYSA-N 354.453 1.708 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1 24366310 NEITWPPKXNATBC-UHFFFAOYSA-N 363.395 1.427 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 28653139 MDPWGKIYCLFYFD-PWSUYJOCSA-N 351.428 1.836 0 40 FDAB CNC(=O)Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 29360431 JRXCWHARURBVBM-UHFFFAOYSA-N 350.378 1.324 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C1CC1)[C@@H](C)C1CC1 46056518 ZVHKBYISGQFLTB-AWEZNQCLSA-N 374.485 1.637 0 40 FDAB COC(=O)c1sccc1NC(=O)CN1CCN(c2ncccn2)CC1 28927903 KCDGPMWLOFUXLW-UHFFFAOYSA-N 361.427 1.085 0 40 FDAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(C)=O)cc2)c2ccccc2O1 12932479 SJAJNXXIZDKQJV-QGZVFWFLSA-N 374.418 1.592 0 40 FDAB O=C(Cn1c(=O)cc[nH]c1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 12976811 AJWWBSBAUINWCD-LBPRGKRZSA-N 370.390 1.569 0 40 FDAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)NC1=S 3662783 AEJMVDDYDILELV-WQLSENKSSA-N 364.423 1.715 0 40 FDAB CC(CNC(=O)Cn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 14136886 RJADZGJDDMTGJU-UHFFFAOYSA-N 363.417 1.659 0 40 FDAB COC(=O)c1ccc(COC(=O)CCc2c(C)nc3nc(N)nn3c2C)o1 6587911 KVKRZHCVLCPCQM-UHFFFAOYSA-N 373.369 1.379 0 40 FDAB COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1 7212935 WVSHESZDEHFVJU-KRWDZBQOSA-N 361.419 1.984 0 40 FDAB NC(=O)c1ccc(COC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 16815811 UQSFOYHXHGRXTK-UHFFFAOYSA-N 365.382 1.832 0 40 FDAB CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 83881788 VFSKEMJVMSMXPL-QGZVFWFLSA-N 373.434 1.337 0 40 FDAB CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cccc3ccccc23)n1 83955215 IJPXWXNZSWZZJY-UHFFFAOYSA-N 359.411 1.320 0 40 FDAB COc1ccc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1OC 72283977 GNUYAWQAVSLHCL-NRFANRHFSA-N 370.449 1.957 0 40 FDAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 95970821 LEWNOVRRYJAACR-MRXNPFEDSA-N 352.412 1.163 0 40 FDAB CCCn1cnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 89960728 BDLKWPJQXZFHBD-UHFFFAOYSA-N 352.435 1.943 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc3c(s1)CCC3)C2 306126119 DNLBPGQKJOPNDA-CYBMUJFWSA-N 369.508 1.903 0 40 FDAB CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@@]12CCN(Cc1ccco1)C2 306128538 HDCKGUXQHLEUIE-IBGZPJMESA-N 372.473 1.490 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 71285302 TUNJPBPIUJGDAQ-HOTGVXAUSA-N 360.410 1.983 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O 218247494 GQNPPNGUONNVQO-KGLIPLIRSA-N 354.424 1.618 0 40 FDAB CC(C)(C)NC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 71283151 GWBLUUNJIOAVRT-UHFFFAOYSA-N 363.805 1.601 0 40 FDAB CN1c2ccc(C(=O)N3CCOCC3)cc2-c2ccccc2S1(=O)=O 33088618 SQLGDZFVNFSCRV-UHFFFAOYSA-N 358.419 1.965 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217533056 YFRFGPHQMIDODB-WCQYABFASA-N 372.443 1.289 0 40 FDAB Cc1cc(NC(=O)CN2CCN(c3ncc(Cl)cc3F)CC2)no1 79294654 FLGRYOTVKVMHJX-UHFFFAOYSA-N 353.785 1.931 0 40 FDAB CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 224192400 PMCXRXXHGGILRG-UHFFFAOYSA-N 358.470 1.908 0 40 FDAB Cn1ncc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)c1Cc1ccccc1 564019583 KPKYLOHKVRHBLU-HNNXBMFYSA-N 355.442 1.531 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccccc1Cl 223313407 MMPBOYINRIAFCM-UHFFFAOYSA-N 367.858 1.813 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc1 49404535 XCRGGYAUYPRLNS-UHFFFAOYSA-N 355.394 1.938 0 40 FDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C 225934715 SMCNQLCMGZKCDE-UHFFFAOYSA-N 356.488 1.857 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCCC(=O)O)n2)c(F)c1 49548485 FGUFZHZWFXAHGT-UHFFFAOYSA-N 363.345 1.039 0 40 FDAB Cn1c(N)c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)sc1=S 20761839 VEFKGBKQCVDHFH-ZJUUUORDSA-N 362.480 1.819 0 40 FDAB biogenic O=S(=O)(c1ccc(F)cc1)N1CC[C@]2(C[C@H](n3ccnc3)CO2)C1 96072844 UUKPOZLZXYSINW-HOCLYGCPSA-N 351.403 1.817 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](NC(=O)C1CC1)c1ccccc1O2 96079907 LIQSOWLKBMRMEZ-OAHLLOKOSA-N 364.467 1.831 0 40 FDAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C3CCOCC3)CC2)O1 96243611 ZEJLOFVNBRLLIL-KRWDZBQOSA-N 374.485 1.278 0 40 FDAB COCCNC(=O)[C@H]1CCC2(CCN(Cc3c(C)noc3C)CC2)O1 96109926 LBQMDJLPGOKBFW-MRXNPFEDSA-N 351.447 1.568 0 40 FDAB CCN1C[C@H]2CCN(C(=O)NCc3ccccc3C)CC[C@H]2S1(=O)=O 96263742 FFISACHMVWRERB-IAGOWNOFSA-N 365.499 1.951 0 40 FDAB CC(=O)N[C@]1(c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)CCNC1 581825098 ZMLOUMDIQWPVNF-QGZVFWFLSA-N 358.423 1.466 0 40 FDAB Cc1nc(CO[C@@H]2CSC3(C2)CN(S(=O)(=O)N(C)C)C3)cs1 247959432 PUYQPYWWRCODAS-LBPRGKRZSA-N 363.530 1.334 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)CN(c1ncc(F)cn1)C2 248077378 ZRAQKMGZPOIKTC-ZDUSSCGKSA-N 372.429 1.831 0 40 FDAB Cc1nc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1 248002641 CKYCAUAKWOGTJU-AWEZNQCLSA-N 368.484 1.541 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccncc2)C1 248169862 RHXOSDHCCAXPKR-DOTOQJQBSA-N 351.472 1.396 0 40 FDAB COc1ncccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257296514 RDEIZSDZFFBQPN-INIZCTEOSA-N 355.385 1.398 0 40 FDAB Cn1c(CN2CCOC[C@H](Cc3cc(O)ncn3)C2)nc2ccccc21 257334998 YIFSBNLEYAIHIA-CQSZACIVSA-N 353.426 1.760 0 40 FDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cnn(-c2ccccc2)c1 1615589430 PVPLLZNEWQOEPK-ULQDDVLXSA-N 354.410 1.333 0 40 FDAB CNc1cnc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)nc1 585278507 UAURAJIRFXEQMG-LJQANCHMSA-N 356.426 1.273 0 40 FDAB C[C@H]1Cc2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1 585098210 SADIOVNMTXXZMF-AWEZNQCLSA-N 353.430 1.432 0 40 FDAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)no1 11091614 PKGOCASEGDHATQ-OAHLLOKOSA-N 363.439 1.611 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccccc2F)cc1 12896924 LAPVOQLLVSXXSO-UHFFFAOYSA-N 351.403 1.515 0 40 FDAB CC1CCN(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 13675688 BYWRYDSHRXHEID-UHFFFAOYSA-N 367.515 1.691 0 40 FDAB C[C@H](NC(=O)/C=C\c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 17128029 IALVRPKNGOHYGE-QMOWULKGSA-N 355.394 1.010 0 40 FDAB COc1cc(COC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OC 19419256 QZZNBGSXFVUYCE-LZWOXQAQSA-N 369.458 1.699 0 40 FDAB CC(C)N1CCc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2CC1 19448607 MEKTZHFWNQGTAY-UHFFFAOYSA-N 370.453 1.135 0 40 FDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4ncc[nH]4)C3)cc2n1 19585658 SPKURNQWKRZPFY-NSHDSACASA-N 367.413 1.127 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@H](C)CO 19696612 FCOUCMXMFKIJBT-VLIAUNLRSA-N 371.437 1.762 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1 19716299 CMDZBVIEFZCDHP-HNNXBMFYSA-N 358.398 1.445 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)cn1 19749733 YUBFXZOSXVLASH-OAHLLOKOSA-N 369.425 1.613 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C[C@@H](C)O1 5154125 WMAYHSKBJXEXCX-CHWSQXEVSA-N 364.467 1.710 0 40 FDAB Cc1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(C(F)(F)F)n1 1888854155 BLFKYADIONNCJK-GFCCVEGCSA-N 372.347 1.267 0 40 FDAB O=C(c1ncccc1F)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888866297 UDIXBKPZWYTGMF-UHFFFAOYSA-N 361.352 1.695 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ccc(Br)cn2)C1)C1CC1 1888866876 OLBKYSUWTZFXAB-LLVKDONJSA-N 360.277 1.895 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1 1848353640 YEVFEMXHVJUBMW-SFHVURJKSA-N 355.413 1.567 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)on1 2037985044 WAJOXGNHKFWTLN-LJQANCHMSA-N 355.394 1.879 0 40 FDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)CC3(O)CCC3)CC2)O1 1614936819 FQLDZLPTQUGNHP-OAHLLOKOSA-N 350.459 1.358 0 40 FDAB Cn1cnc(C(=O)N2CCN3CCc4c(ncn4CC4CCCC4)[C@@H]3C2)n1 1565551874 UBRHRVMPXNHMDO-INIZCTEOSA-N 369.473 1.257 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(C(=O)C1(F)CCC1)CC2 1565544463 LJLFODHWTSPRIT-UHFFFAOYSA-N 374.460 1.609 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]2O1 1565548971 NGIAALXYVRPQJR-GDLCADMTSA-N 359.411 1.191 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ocnc2C)CC1 2055750896 JWZSNXOWQBPUCY-UHFFFAOYSA-N 372.425 1.825 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc2c(c1)OCO2 23143648 JUAUZGUHWRAHQA-UHFFFAOYSA-N 369.370 1.920 0 40 FDAB Cc1nc(C(=O)NCCn2ncc3c(N4CCCC4)ncnc32)cs1 38483705 JTNAAXGZWRCJOL-UHFFFAOYSA-N 357.443 1.621 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)OCc1cc(-c2ccccc2F)on1 38767339 HGRMMHGMVPBRCN-UHFFFAOYSA-N 359.313 1.464 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)C1 225387383 SDLDWRIWGMHTGU-GFCCVEGCSA-N 357.366 1.550 0 40 FDAB CC(=O)c1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)s1 225671711 PHYBSWDKZDGFSI-UHFFFAOYSA-N 358.485 1.281 0 40 FDAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CC(=O)Nc2ccccc21 30009859 AAFAUDLQVOUJJE-SNVBAGLBSA-N 351.366 1.642 0 40 FDAB C[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@H](C(N)=O)C2)C[C@@H](C)O1 51616815 AKYJZFJKKSWNSR-IOASZLSFSA-N 362.430 1.018 0 40 FDAB COc1cc(NC(=O)Cn2nnc(-c3ccco3)n2)cc(OC)c1OC 32769826 QYVYRRBTVKVWAA-UHFFFAOYSA-N 359.342 1.598 0 40 FDAB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2c1 32906251 ZRXFGULFSMOTFU-GFCCVEGCSA-N 362.382 1.637 0 40 FDAB CCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCOCC1 7388917 VGBYHILXIXKSQD-UHFFFAOYSA-N 351.428 1.533 0 40 FDAB Cc1ccc(C(=O)Nc2cnccn2)cc1S(=O)(=O)N1CCOCC1 10434372 TUDLHNDAYVIORP-UHFFFAOYSA-N 362.411 1.058 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)C)c1ccc(C)cc12 806614 RPSMSCGADZDPSE-KRWDZBQOSA-N 360.439 1.905 0 40 FDAB CCOC(=O)[C@@](NCCc1ccc(F)cc1)(NC(C)=O)C(F)(F)F 12412223 YYMXTSPLKATIAA-CQSZACIVSA-N 350.312 1.916 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(C(C)(C)C)n1N 23632298 XPZGYFUDJYIFSO-WDEREUQCSA-N 368.507 1.786 0 40 FDAB C[C@H](NC(=O)CNC(=O)COc1ccccc1)c1nc2ccccc2[nH]1 8775050 JXGOJQPKLUIASW-ZDUSSCGKSA-N 352.394 1.935 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 55318156 RNKMIBSJVZJGAC-HIFRSBDPSA-N 365.499 1.703 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(Cc3cc(C)no3)CC2)c1 25303639 OJSXCSLKQNULRH-GOSISDBHSA-N 373.453 1.743 0 40 FDAB COc1ccccc1COC[C@H](O)CN1CCN(C[C@H]2CCCO2)CC1 57941825 ANUUSDAMJBBMOF-RTBURBONSA-N 364.486 1.369 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)O[C@@H](C(N)=O)c1ccccc1 10137628 NPXQNZIIONWDJK-QGZVFWFLSA-N 356.378 1.585 0 40 FDAB CCN(C)Cc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1 58202985 FOJWBTOJYOSJIZ-UHFFFAOYSA-N 350.488 1.967 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1cncn1-c1ccc(F)cc1 48231661 GMCWYQHILHEYTL-UHFFFAOYSA-N 363.356 1.917 0 40 FDAB C[C@@H](CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 58392761 MSTBEFVZPTUGKP-HKUYNNGSSA-N 373.497 1.477 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 22764153 KJYUUBMOPNNIFC-VXGBXAGGSA-N 356.410 1.895 0 40 FDAB COCCOc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cn1 48367317 DRWGMSRQIMSHCM-GUYCJALGSA-N 365.455 1.177 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3nc4ccccc4[nH]3)ccc21 11615655 XZVPKQQZYQAHMJ-UHFFFAOYSA-N 371.422 1.232 0 40 FDAB CC(=O)N[C@@H](C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1)C1CCCC1 12839108 ZOGVSYDPPHFYFV-QGZVFWFLSA-N 357.410 1.970 0 40 FDAB NC(=O)Cc1csc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n1 12849247 YQMJIZZSIWTWKL-UHFFFAOYSA-N 371.422 1.369 0 40 FDAB Cn1ncc2c(NC[C@H](c3ccc(F)cc3)N3CCOCC3)ncnc21 12804232 KATVSIWEUUNNNB-MRXNPFEDSA-N 356.405 1.988 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 3497900 LDTTYQDMCIKFHS-INIZCTEOSA-N 371.345 1.795 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccc(F)cc1)c1cccs1 8936928 AKUSQMOOBHKOCV-MRXNPFEDSA-N 359.382 1.643 0 40 FDAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1 13556523 XANKLBNGMGBSQJ-UHFFFAOYSA-N 351.472 1.872 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1NC(=O)c2ccccc2N1 9157348 HRUXVQQZKOCPTM-LRDDRELGSA-N 360.439 1.714 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCCn3ccnc3)n2)cc1OC 4698600 MTEGGIRJCHLFGL-UHFFFAOYSA-N 357.370 1.770 0 40 FDAB Cc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc1C(=O)OC(C)C 4749913 FYVALLNTCNZOMD-SNVBAGLBSA-N 360.457 1.780 0 40 FDAB Cc1noc(CCNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1 67081714 AWTYJDDKBATRQS-CQSZACIVSA-N 352.341 1.982 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H]2CCCO2)NC(=O)N[C@@H]1c1ccccc1 9454218 DALBZRBRSCWMOJ-GDBMZVCRSA-N 374.393 1.580 0 40 FDAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 8112742 IWIQHONWWPIWEK-UHFFFAOYSA-N 359.817 1.209 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 8313188 QELKMHURHIAJOW-UHFFFAOYSA-N 362.389 1.927 0 40 FDAB CSCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8423792 VXKONGOMLBUJKK-UHFFFAOYSA-N 354.906 1.597 0 40 FDAB CC(C)OCCN1CCC(NC(=O)c2cc(-n3ccnc3)ccn2)CC1 95993036 JCJNUVUJCDPUNP-UHFFFAOYSA-N 357.458 1.887 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944815 LLQHSPAYVYVNBK-UHFFFAOYSA-N 369.468 1.817 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9953424 LWUXBGKGFYYAQV-HUUCEWRRSA-N 361.467 1.854 0 40 FDAB COc1cc(C)c([S@@](=O)CCN2C(=O)NC(C)(C)C2=O)cc1OC 75109532 PDLJRBNAZXBTED-XMMPIXPASA-N 354.428 1.450 0 40 FDAB Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)c1 75105661 CCOKEEDCQJRVKP-AWEZNQCLSA-N 364.409 1.829 0 40 FDAB Nc1nsc(N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)n1 75109062 JFIPWFUFITZDAC-UHFFFAOYSA-N 354.386 1.159 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(CC)C2=O)cc1 24992872 ATIVPBYTTJOPJP-FZKQIMNGSA-N 364.398 1.324 0 40 FDAB Cc1ccc(CN2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)s1 306138420 RXGJIORHKSDLMT-GDBMZVCRSA-N 372.494 1.804 0 40 FDAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(N)=O)c12 39556671 LVKLBPVLPIOBGT-ZSOIEALJSA-N 356.451 1.719 0 40 FDAB CC(C)CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72327356 LKMXSQPDNJSOKX-IBGZPJMESA-N 359.426 1.290 0 40 FDAB Cn1c(SCC(=O)NCc2cccnc2)nnc1-c1ccc(O)cc1 35289202 XCLNGUGFFZNCJL-UHFFFAOYSA-N 355.423 1.991 0 40 FDAB Cc1ccsc1CCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 675007976 INOUVQLMLHAZOR-ZDUSSCGKSA-N 356.455 1.822 0 40 FDAB O=C1CCc2cc(C(=O)OCc3cc(=O)n4ccsc4n3)ccc2N1 32841131 WQSVFIBXHZRDFU-UHFFFAOYSA-N 355.375 1.998 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21 225679771 KFVPQFUKTZKZJR-UHFFFAOYSA-N 352.441 1.165 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170961 INGWKQSKHUXYIN-VOTSOKGWSA-N 350.378 1.925 0 40 FDAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(Cl)cc1 224173768 XDPUYVALUBZNHG-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(C)C)cc1 96081243 XEMVNHOPHUXCQC-SJORKVTESA-N 366.483 1.820 0 40 FDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4cccn4C)CC[C@@H]3C2)nn1 96249802 MYOYURQNPBOWBT-NVXWUHKLSA-N 355.442 1.491 0 40 FDAB O=C1CN(C(=O)NCc2ccc(OC(F)F)cn2)[C@@H]2CCCC[C@H]2N1 332124266 GPJFIUFMOSAZGL-CHWSQXEVSA-N 354.357 1.636 0 40 FDAB Cc1cnc(C(=O)N2CC[C@]3(CC(C(=O)NCc4ccco4)=NO3)C2)cn1 96225860 PRERTENLMLHZFV-SFHVURJKSA-N 369.381 1.055 0 40 FDAB CC(C)OC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96040531 YIMNSVDWEPJQSS-GOEBONIOSA-N 357.476 1.405 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccncc1)CC2 247826152 FVVPLBHRRGLDII-MRXNPFEDSA-N 353.488 1.202 0 40 FDAB Cn1cc(CN2CC3(CC[C@@H](CNC(=O)c4cccn4C)CO3)C2)cn1 248152274 ULVRDAXFQAJPOO-HNNXBMFYSA-N 357.458 1.170 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3C)nc(O)c2C1 247960530 VIPNPUPGAQMCFP-FFSVYQOJSA-N 358.442 1.796 0 40 FDAB COc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242750676 ZVTJNXILWRHLIV-JKIFEVAISA-N 370.471 1.428 0 40 FDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)n(C)n1 247936835 STEJKGPPRRXFPZ-MRXNPFEDSA-N 371.485 1.478 0 40 FDAB CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccccc3C)C2)ncn1 257324049 WMXZZJACCBFKET-IBGZPJMESA-N 355.442 1.540 0 40 FDAB Cc1c(C(=O)N[C@@]2(CO)COc3ccccc3C2)cnn1-c1ccccn1 529819851 CNBLTZDAJILHFZ-FQEVSTJZSA-N 364.405 1.672 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(S(=O)(=O)C2CC2)C3)nc1 253600460 NXJCNDJRPSYGJO-CYBMUJFWSA-N 352.460 1.170 0 40 FDAB Cc1cc(C)n2ncc(CN3CCO[C@H](CCc4ccncn4)C3)c2n1 257225327 FFSXNINETBJZKK-GOSISDBHSA-N 352.442 1.970 0 40 FDAB Cc1[nH]c2ccc(C(=O)N3CC[C@@](O)(CN4CCOCC4)C3)cc2c1C 257234232 GSRWSABTOMOSFP-HXUWFJFHSA-N 357.454 1.694 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cncs3)CC2)cn1 257218417 DDBNCCDNGYRWJH-UHFFFAOYSA-N 359.455 1.664 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1 257214343 CLQPBWBQKDGFGQ-BRWVUGGUSA-N 354.472 1.351 0 40 FDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)[nH]n1 257241158 HWVHYBUYQDMZRI-CYBMUJFWSA-N 364.475 1.469 0 40 FDAB Cn1cncc1-c1nccnc1[C@@H]1CCCN(CC2(O)CCOCC2)C1 257270464 MUIBBPAUSFQDOK-OAHLLOKOSA-N 357.458 1.598 0 40 FDAB CCCn1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)n1 257267519 MHQBJUKLUZUFBX-INIZCTEOSA-N 356.417 1.601 0 40 FDAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)CCC(N)=O)CC2)nn1C 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Cn1ncc(Cl)c1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615128646 UNPBTJMBONGJEJ-GOSISDBHSA-N 374.828 1.722 0 40 FDAB CCN1C(=O)[C@H]2CN(Cc3cnc4ccccn34)CCN2C12CCOCC2 1772595377 QTBCZINQMNWLNG-QGZVFWFLSA-N 369.469 1.189 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 5050288 KOSWIMVJIVWSQI-CZPYZCIJSA-N 364.195 1.645 0 40 FDAB CCOC(=O)C[C@@H](NC(=O)CP(=O)(OCC)OCC)C(=O)OCC 5829381 HKSQPGNVNWWFRH-LLVKDONJSA-N 367.335 1.254 0 40 FDAB CCCCn1c(C(=O)NCc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796855 RIYKRYBXIUVKQI-UHFFFAOYSA-N 369.425 1.164 0 40 FDAB O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCN(c2ccccn2)CC1 12391543 YORCJCLRCFXATD-UHFFFAOYSA-N 369.816 1.673 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 13576266 KBKWSRPSKIHVNL-XZDOFFSESA-N 361.829 1.879 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)C(C)C)CC3)cnc12 16228191 JTXGOGONHOBUGZ-UHFFFAOYSA-N 356.426 1.032 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCc1ccc(-n2cccn2)cc1 16654712 JMEHFNKXFFOSKQ-UHFFFAOYSA-N 361.361 1.721 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(OC2CCCC2)cc1 17075859 JGDTYTOGSCYUOC-YVSFHVDLSA-N 370.405 1.815 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19446085 LPXSMCWEPXOGPJ-WZTLGTBRSA-N 364.829 1.783 0 40 FDAB COc1ccc(CN2CCc3c(O)nc(N4CCOCC4)nc3C2)cc1 19555597 PSBKHJMXWRAXCD-UHFFFAOYSA-N 356.426 1.586 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1OC 19942650 DXHDWCRMCVSABA-CQSZACIVSA-N 365.407 1.678 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)nc(O)c1F 1888847514 OIMNJTAPQPYRJS-GHMZBOCLSA-N 356.348 1.570 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)C5CC=CC5)C[C@H]4C3)ncnc21 1888867108 PZPIHNPYENZZEU-HUUCEWRRSA-N 352.442 1.707 0 40 FDAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n2nccc2n1 1888888485 ZHPJTBCBNJMDQB-IYBDPMFKSA-N 361.405 1.659 0 40 FDAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888897157 VSRAFPBPQMPNEY-OKILXGFUSA-N 350.430 1.343 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889108545 JUQBUHIXBDLONP-UHFFFAOYSA-N 365.485 1.991 0 40 FDAB CN1CCC(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 1143307308 UWVNOSBYRZEPAJ-UHFFFAOYSA-N 371.481 1.753 0 40 FDAB CC(=O)Nc1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cs1 32683039 AQCHTKLSNVFTNV-UHFFFAOYSA-N 366.487 1.866 0 40 FDAB COCCOC(=O)N[C@H]1CO[C@]2(CCCN(Cc3cccc(O)c3)C2)C1 2056225965 GIQQUTCUUHASHU-VQIMIIECSA-N 364.442 1.888 0 40 FDAB CC1CC(C(=O)N2C[C@H](C(=O)NCc3cccnc3)C[C@H]3OCC[C@H]32)C1 1614927770 BOPGRHZDGLLIAK-NLZHUQCOSA-N 357.454 1.750 0 40 FDAB CSc1nc(C)cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087130530 ZRIRPYUALRPCJL-GFCCVEGCSA-N 372.441 1.970 0 40 FDAB O=C(CCc1ccccc1F)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 1565554904 JWONTOCVNJQMOZ-JFIYKMOQSA-N 360.429 1.997 0 40 FDAB O=C(c1csnn1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@@H]2C1 1565549789 CUVSAESSLPMGPZ-INIZCTEOSA-N 372.498 1.980 0 40 FDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccc2c(c1)OCO2 4316850 QCBWHBNZNAMGLR-UHFFFAOYSA-N 359.407 1.396 0 40 FDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)o1 4338285 JGWZXCPOWBYANW-UHFFFAOYSA-N 353.313 1.915 0 40 FDAB CCOC(=O)[C@H](C)Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 4959697 QGJFULTZBNQORK-ZETCQYMHSA-N 352.372 1.241 0 40 FDAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)N1CCCC1 12230886 RNOWNIYIAHSTTI-UHFFFAOYSA-N 360.385 1.681 0 40 FDAB COc1cccc(S(=O)(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)c1 2055732305 AKSGFDWWCLTEFF-LBPRGKRZSA-N 365.455 1.581 0 40 FDAB Cc1cc(CN2CCC[C@@](C(=O)NCC(F)(F)F)(n3ccnc3)C2)n[nH]1 2055771816 AYXJDMMBCPCBLS-OAHLLOKOSA-N 370.379 1.584 0 40 FDAB COc1ccc(N2C[C@]3(COCCN(C(=O)C4CC4)C3)OCC2=O)cc1 2055803519 CMZQIHPDZNSUPO-LJQANCHMSA-N 360.410 1.066 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC2(CC1)CCN(c1ncccn1)C2 2055803550 GAUMTKPJGKBLMV-UHFFFAOYSA-N 353.426 1.157 0 40 FDAB CCCNC(=O)CSc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011413 QGWDLZWMYRJKCI-UHFFFAOYSA-N 370.460 1.151 0 40 FDAB Cc1ccc(-n2cc(C(=O)NCc3nnc4n3CCCCC4)nn2)cc1 40093436 DFMQVKJISRRVNA-UHFFFAOYSA-N 351.414 1.824 0 40 FDAB Cc1nccn1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 30697667 VDUJEHYTFHVWKK-SFHVURJKSA-N 355.398 1.166 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cn3ccccc3n2)c1 31646465 MFERDHSBXIUOJM-UHFFFAOYSA-N 360.439 1.575 0 40 FDAB CCCCCN1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773617 CFTDHYVNMCJDNL-DLBZAZTESA-N 350.484 1.999 0 40 FDAB COc1ccc2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c1 20533610 WTICZIFJXQXLEY-UHFFFAOYSA-N 360.410 1.101 0 40 FDAB COCCn1c(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)nc2ccccc2c1=O 101619063 QNWVSALUPZLZBE-KKUMJFAQSA-N 353.422 1.985 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCCN1CCCC1=O)C(=O)C2 102221632 JMUIPVFKSMGZAB-SUMWQHHRSA-N 356.488 1.314 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-n4cccn4)nc3)cc2[nH]1 32803702 TXZRBCVHZONZNT-UHFFFAOYSA-N 356.367 1.238 0 40 FDAB CCOc1cc(C(=O)OCC(=O)NC(N)=O)cc(OCC)c1OCC 2630457 LBODXWGVBYCKSF-UHFFFAOYSA-N 354.359 1.234 0 40 FDAB CC(C)(C)C(=O)N[C@@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl 820554 VTWNRLFJGIQNJT-ZETCQYMHSA-N 360.600 1.707 0 40 FDAB COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4285763 BLTWWNVPMWWWOQ-UHFFFAOYSA-N 353.469 1.718 0 40 FDAB C/C=C/COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C 4892045 QBJPQDCSSXSGNV-AATRIKPKSA-N 354.410 1.745 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N[C@]3(C)CCS(=O)(=O)C3)c2O1 6588021 MUWOYVANAPODCC-QGZVFWFLSA-N 353.440 1.472 0 40 FDAB COc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(C)(=O)=O 6849164 NXQZGFRYSIAPQG-BFHYXJOUSA-N 352.456 1.766 0 40 FDAB C[C@H](OC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 22595716 WOCKFFSOIUUYJW-HNNXBMFYSA-N 370.409 1.136 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC)cc2OC)n1 8053846 GDVUTKUPAZEWLG-UHFFFAOYSA-N 350.404 1.227 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 102616115 GSDIQTDFMBFMIT-MUIFIZLQSA-N 372.421 1.557 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)nc2ccccn2c1=O 911275 KUACZWMWGDAOBQ-LBPRGKRZSA-N 362.773 1.539 0 40 FDAB CCN(CC)S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23395969 OTQCAXPBWKGXIO-INIZCTEOSA-N 359.467 1.375 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCc1noc(-c2ccco2)n1 24045310 IXUJQHWOWBAETC-UHFFFAOYSA-N 352.306 1.783 0 40 FDAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 12538786 FJAZLYDBLZEWAC-UHFFFAOYSA-N 352.373 1.968 0 40 FDAB CN1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1 101210179 PVCBVCRKZHQQFU-IRXDYDNUSA-N 355.438 1.754 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 100187845 JUXBTDMKFADEDD-BHTHQVBYSA-N 364.195 1.645 0 40 FDAB COc1ccc(C(=O)NCCn2cnc3ccccc3c2=O)cc1OC 62001478 OQFYQPGZKWFDIB-UHFFFAOYSA-N 353.378 1.844 0 40 FDAB biogenic O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2[nH]nnc2c1 12602420 AQJQYSKTLAMNHY-GOSISDBHSA-N 369.400 1.900 0 40 FDAB O=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 48171470 IKTBDOWDFODVHA-MRXNPFEDSA-N 373.457 1.537 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)OC)ccc2C)C1 58028452 MHVYJJBTHODFST-AWEZNQCLSA-N 368.455 1.782 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 12779037 QAOGYZGRIWCVGZ-UHFFFAOYSA-N 359.382 1.585 0 40 FDAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N1c2ccccc2CC[C@H]1C 84705427 JTEXTORZIWWVML-MBNYWOFBSA-N 373.409 1.274 0 40 FDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCc1ccc(Cl)cc1 57947625 FNJZMTVESAYBGE-UHFFFAOYSA-N 365.817 1.100 0 40 FDAB CC(C)COCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58210832 AQGNIVYPNSAPCR-UHFFFAOYSA-N 362.474 1.299 0 40 FDAB CCOC(=O)c1nnc2c(-c3ccccc3OC)c(COC)nn2c1N 20636092 JEVDTFLYLUPYMJ-UHFFFAOYSA-N 357.370 1.705 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1 12823014 RGZGIDYMYWCFOL-UHFFFAOYSA-N 362.389 1.927 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1C 22268049 VXHGMBMVKKMBSY-MRXNPFEDSA-N 362.451 1.769 0 40 FDAB CCOc1cc(CNCCN(C)C)cc(Br)c1OCC(N)=O 22075606 OMEOTLJGAIWVHT-UHFFFAOYSA-N 374.279 1.363 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@H]2CCCCC2=O)cc1 3450121 GMFLFQLOUKTJQD-INIZCTEOSA-N 369.439 1.809 0 40 FDAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1nc2ncccn2n1 36618692 TXLAHHNNYBBUEW-UHFFFAOYSA-N 374.286 1.976 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 3565020 XDRPUUCHQPLCAB-UHFFFAOYSA-N 357.366 1.979 0 40 FDAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)COC)S(C)(=O)=O 22252323 LJDILTINGDACJW-NSHDSACASA-N 374.459 1.254 0 40 FDAB O=C(CCc1ccc(-n2cnnn2)cc1)Nc1nnc([C@@H]2CCCO2)s1 71286646 UKERAGFOWHXTTR-ZDUSSCGKSA-N 371.426 1.937 0 40 FDAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 14141088 FTZXWAFHCDVBOG-HNNXBMFYSA-N 369.450 1.628 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCC3)C1=O 5776811 KQEVPPQTBBWDTM-LJQANCHMSA-N 358.394 1.622 0 40 FDAB Cn1ccs/c1=N\C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7007664 QMGIDIKUZFJSGP-FJTVPBJSSA-N 359.407 1.338 0 40 FDAB COc1cccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1 7351169 DZRLESRYKDWQFH-ZDUSSCGKSA-N 364.427 1.490 0 40 FDAB O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)c1cccc2cc[nH]c12 80447345 BFQRIQGKIDLSPL-UHFFFAOYSA-N 353.382 1.476 0 40 FDAB COC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 16205987 ZIRRENZVOZHMAB-UHFFFAOYSA-N 355.412 1.581 0 40 FDAB NC(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16809701 VOQGEJADBRMYLH-SFHVURJKSA-N 366.417 1.920 0 40 FDAB Cc1csc([C@](O)(CC(=O)N[C@@H]2CCCCNC2=O)C(F)(F)F)n1 70004650 OBSPSCBVEHUZAD-NOZJJQNGSA-N 365.377 1.376 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)cc1 95462337 BGVHGJYVKDZEGT-UHFFFAOYSA-N 364.471 1.288 0 40 FDAB COc1ccc(CCc2n[nH]c(NC(=O)[C@@H]3CC(=O)N(C)C3)n2)cc1OC 95474185 KFUSEDZBIIFWOP-GFCCVEGCSA-N 373.413 1.024 0 40 FDAB COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C)c1cccc(C)c1 89488085 XEVLWCPKHREWNP-CYBMUJFWSA-N 371.441 1.718 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 75612183 IDSPBXJYHPZVNY-GDBMZVCRSA-N 364.442 1.894 0 40 FDAB COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C)CC2)n1 20414458 XKFSPLWXXTXZME-UHFFFAOYSA-N 363.853 1.607 0 40 FDAB Cn1cc2c(n1)[C@@]1(CCN(S(C)(=O)=O)C1)CN(Cc1ccccc1)C2 306123575 AQQFHTNOVJNUAZ-SFHVURJKSA-N 360.483 1.339 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)cc2)cc1 408550467 COBDRSNTRHGQAS-UHFFFAOYSA-N 368.393 1.647 0 40 FDAB CSc1nc(OCC2CCNCC2)cc(OCC2CCNCC2)n1 79440062 AFEJFSDTYQRMFR-UHFFFAOYSA-N 352.504 1.955 0 40 FDAB COCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 72334814 RGNDIDMBQCZTBE-UHFFFAOYSA-N 359.401 1.934 0 40 FDAB Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2C)c1C 32508642 NYBMUUNIIYKGJX-KBPBESRZSA-N 367.496 1.442 0 40 FDAB Cc1cc(CNC(=O)Cn2cc(COc3cccc(F)c3)nn2)n(C)n1 227169691 YBHHWMGVMNNGEF-UHFFFAOYSA-N 358.377 1.355 0 40 FDAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(N2CCCCC2)n1 49411015 UQWSSQCTFKXZSK-UHFFFAOYSA-N 358.417 1.998 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1 42645820 ACPJTDSMXOJCAU-UHFFFAOYSA-N 370.247 1.226 0 40 FDAB COCCNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225209397 BPYMHRCJPCLSIG-UHFFFAOYSA-N 373.500 1.413 0 40 FDAB CN1CCN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)CC1 225952117 YXRZDGAJTHXKFE-CQSZACIVSA-N 359.879 1.094 0 40 FDAB COCCNC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 225899420 YKXNJZYDBFNSOI-UHFFFAOYSA-N 365.381 1.265 0 40 FDAB Cc1nc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)co1 226096624 RYQVMJYIDQAYML-UHFFFAOYSA-N 363.439 1.740 0 40 FDAB CN1C(=O)N[C@]2(CCN(C(=O)Nc3cc(C4(C)CCCC4)on3)C2)C1=O 578972664 BXHAMRUJDPVKJP-KRWDZBQOSA-N 361.402 1.664 0 40 FDAB CC(C)C(=O)N1CCN(Cc2nccs2)C[C@@]2(CC(=O)N(C)C2)C1 96036053 NXOJIEJLFOLRPO-KRWDZBQOSA-N 350.488 1.292 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccc(OC)c3)CC2)O1 96144738 XLUOOVJGLVVGET-QGZVFWFLSA-N 370.453 1.528 0 40 FDAB COC1(c2nc(C3CC3)no2)CCN(CC(=O)Nc2cc(C)nn2C)CC1 583615859 DTVDKIQIFMWSCY-UHFFFAOYSA-N 374.445 1.565 0 40 FDAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2NC1=O 252494469 NWQUEOUHQBACEL-VIFPVBQESA-N 361.379 1.306 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 253472427 MEABQILMMCIRQO-STQMWFEESA-N 368.418 1.467 0 40 FDAB O=C(O)c1csc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 262753416 KROSJUXCKHUXQX-NSHDSACASA-N 366.443 1.385 0 40 FDAB C[C@](CNC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)O)c1ccccc1 263237923 BVPBUAIBGCSJFQ-HXUWFJFHSA-N 367.405 1.989 0 40 FDAB CCC[C@@]1(CO)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 278117978 LKGQPCZXJUNAIN-DOMZBBRYSA-N 360.501 1.569 0 40 FDAB COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc3nnc(O)n3c1)CC2 670416509 UODUSFDLYGGHPR-CYBMUJFWSA-N 354.366 1.869 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1=O 677976573 WPXRQGJITYNQPN-CYBMUJFWSA-N 374.445 1.062 0 40 FDAB CN1C(=O)CN(C(=O)c2c[nH]nc2[C@@H]2CCCCN2)Cc2ccccc21 685942928 UNUNIJQAJNMGBH-HNNXBMFYSA-N 353.426 1.843 0 40 FDAB CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)C[C@@H]3C=CCCC3)CC1)OC2 1775962791 FZLPWEXUIKXFQI-OAHLLOKOSA-N 372.469 1.881 0 40 FDAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2cccc4c2OCO4)C3)n[nH]1 1775958098 CUJRIMZNHHUMKU-ZDUSSCGKSA-N 355.398 1.013 0 40 FDAB COc1cc([C@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2C)cc(OC)c1O 604404466 OANMESTWKJMOAI-LBPRGKRZSA-O 351.379 1.496 0 40 FDAB biogenic NC(=O)c1cn(CC(=O)N2CCOC[C@H]2c2ccco2)c2ccccc12 604857389 MGWNYQWVZQFVMZ-INIZCTEOSA-N 353.378 1.933 0 40 FDAB CCc1ncnc(N[C@@]23CC[C@H]2CN(C(=O)c2cncnc2C)C3)c1F 1615057636 VIFWYCJZPUTSLH-KPZWWZAWSA-N 356.405 1.993 0 40 FDAB COc1cccc2c1[C@H](C(=O)N1CCN(CC(F)(F)CO)CC1)CC2 636133309 OWEHYKCHBMHBOJ-CQSZACIVSA-N 354.397 1.497 0 40 FDAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccnc1)c1ccccc1 96025539 OLVOIVBGIWPGPW-CQSZACIVSA-N 366.464 1.709 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)CCc2cn(C)c3ccccc23)C1 644039568 JZQMDNUYGZOPNW-HXUWFJFHSA-N 357.454 1.601 0 40 FDAB Cc1cncc(CCNC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 661063993 HVPXQGFKWXUJOL-KRWDZBQOSA-N 371.416 1.567 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ncncc2C1 96122829 ODPCZAWRAPVHKV-UHFFFAOYSA-N 372.450 1.460 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 575406785 SWKOFENMVIPEIQ-BZUAXINKSA-N 355.394 1.500 0 40 FDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)OC1 575406409 XONVGYIGRJCSJQ-CYBMUJFWSA-N 358.442 1.142 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@H]12 585109542 WLYICAAJGZUYAD-JFIYKMOQSA-N 371.462 1.618 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](COCc3ccccn3)CN2C)C1 585093963 TZRAPQNZUXRSPL-OAHLLOKOSA-N 356.426 1.741 0 40 FDAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2 585103749 ZSHNIRSUBQXJLE-OAHLLOKOSA-N 368.499 1.817 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109251 FHYBQUWGIFQFMF-FGTMMUONSA-N 351.406 1.628 0 40 FDAB COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 51134741 LHIZIHRKSSBTDG-UHFFFAOYSA-N 362.411 1.106 0 40 FDAB c1ccc(-c2ccc(N3CCN(c4ncnc5[nH]cnc45)CC3)nn2)nc1 1775973434 BRCZQVUIHXWKRI-UHFFFAOYSA-N 359.397 1.532 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5345287 YRSZYPUSIVCZEE-FDWVFIFESA-N 355.438 1.862 0 40 FDAB CC(C)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 5689974 VRCUOVJQCGDQBM-UHFFFAOYSA-N 369.469 1.722 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2CCC(O)(c3nccn3C)CC2)cc1 12114356 FNYBZMRBNUQBPK-UHFFFAOYSA-N 356.426 1.545 0 40 FDAB Cc1nn(CC(=O)Nc2ccccc2N2CCOCC2)c(=O)n2cccc12 12117324 OOFAMEPDBVLDNF-UHFFFAOYSA-N 367.409 1.280 0 40 FDAB COCCn1c(=O)n(CC(=O)NCc2ccc(OC)cc2)c2cccnc21 12117556 FVFHUCWLWVUPDP-UHFFFAOYSA-N 370.409 1.169 0 40 FDAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 12221927 ZQRLTFWCMZLVHS-OAHLLOKOSA-N 363.421 1.936 0 40 FDAB CC(C)NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 12893240 BWKIEMWIVKCKOU-REGYPHIPSA-N 370.405 1.222 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 12893258 BWKIEMWIVKCKOU-FORWCCJISA-N 370.405 1.222 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1O 13196607 HJGAVHDKRRXNQF-UHFFFAOYSA-N 351.336 1.298 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(O)n3)C2)c(=O)n1C 19131564 PSOMWDIRCHNDFV-ZDUSSCGKSA-N 364.405 1.972 0 40 FDAB COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19460683 MZOGZDBHDYRXRZ-XLPNERPQSA-N 372.352 1.801 0 40 FDAB COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C2CCCC2)CC1 19594050 NJDMGFHLBHKOCN-LJQANCHMSA-N 370.501 1.969 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C(=O)O)C=C1COC(=O)[C@]12O 252516651 VRZDHXFAIKNSLX-BGUWLWDXSA-N 364.394 1.600 0 40 FDAB biogenic,in-vitro Cc1nc(N2C[C@@H]3CN(c4ncc(Cl)cn4)C[C@@H]3C2)nc(O)c1F 1888855751 FRLRQDAHADGBBZ-AOOOYVTPSA-N 350.785 1.646 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2nccc(C(F)(F)F)n2)cc1 1888864409 ICLQAHTYBJQDJA-UHFFFAOYSA-N 360.317 1.073 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c21 1888890087 OCWMYSHZPFWDAB-UHFFFAOYSA-N 364.335 1.499 0 40 FDAB O=C([C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCSCC1 1889101382 KGQZSYDLWXBWRM-NSHDSACASA-N 361.389 1.881 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1Cn1nc(-c2ccc(F)cc2)oc1=O 24613198 NXCXXYOAVVRRMA-ZDUSSCGKSA-N 367.402 1.580 0 40 FDAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC 25027287 IQAQRGHBSMWZPQ-UKRRQHHQSA-N 362.426 1.469 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)CCC1 1565555588 KKGVZUJIHDWHNR-UHFFFAOYSA-N 363.458 1.752 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NCc3cccs3)ccc2c1=O 3906620 KLFLNTDXZNFHDD-UHFFFAOYSA-N 359.407 1.328 0 40 FDAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@]1(NC(C)=O)C(F)(F)F 4689249 OGIKKKPSBJAVPE-MRXNPFEDSA-N 370.327 1.913 0 40 FDAB O=C(Nc1ccc(SCC(=O)N2CCOCC2)nn1)c1cccs1 11739456 DIQKZTADZFFQJD-UHFFFAOYSA-N 364.452 1.741 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)NCc2ccco2)CC1 1848585559 NBUQEGXCDJONPD-UHFFFAOYSA-N 363.849 1.940 0 40 FDAB CC(C)CC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2ccnc2)CC1 2055713370 GFXSYLATKZTBDZ-UHFFFAOYSA-N 358.446 1.041 0 40 FDAB COc1ccc(C(=O)N2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)c(OC)c1 2055839535 GPCPZQQWMHRKAQ-UGSOOPFHSA-N 358.398 1.542 0 40 FDAB c1nc(N2CCC(COc3cc4c(nn3)CCC4)CC2)c2nc[nH]c2n1 1775967656 ZPNZCFANFSMKKT-UHFFFAOYSA-N 351.414 1.927 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCCN1c1ncccn1 585150437 OBWGMLRKXMFHJA-AWEZNQCLSA-N 355.398 1.674 0 40 FDAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NC[C@@H]1CCCO1 33171830 FNUISWVWMXFSGC-LBPRGKRZSA-N 360.439 1.564 0 40 FDAB C[C@H](C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1)n1nnc2ccccc2c1=O 6760219 VYTFPZIOZIJHNA-MEBBXXQBSA-N 368.349 1.000 0 40 FDAB O=C1N(CN2CCC3(CC2)OCCO3)c2ccccc2C12OCCCCO2 20428549 GFNMRRYTLCLCSM-UHFFFAOYSA-N 374.437 1.809 0 40 FDAB NC(=O)CN1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 40051024 XXYSOUBQVYMSJX-UHFFFAOYSA-N 351.450 1.957 0 40 FDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccc2c(c1)OCCO2 40086250 DRDKGEKASWPCEB-UHFFFAOYSA-N 372.406 1.517 0 40 FDAB CN(C)CCOc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)CC1 40115996 GCCDZCSCRHEQQF-UHFFFAOYSA-N 359.470 1.758 0 40 FDAB O=C(NCCCN1CCOCC1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 20478874 MPJHLKDFKXDZBY-MAUKXSAKSA-N 361.467 1.095 0 40 FDAB COc1ccccc1-c1nc2c(=N)n(-c3ccccc3)c(=O)[nH]c2c(=O)[nH]1 100936097 YJSYUCMTPFHXDG-UHFFFAOYSA-N 361.361 1.557 0 40 FDAB CCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904685 BCAGORNKHKYJFR-UHFFFAOYSA-N 374.484 1.448 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 922553 BJXPWOHHHCVWAP-AWEZNQCLSA-N 372.512 1.892 0 40 FDAB CN(C)CC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(C)(C)C 76016674 MCNRGJWNVBKAKU-MRXNPFEDSA-N 359.474 1.664 0 40 FDAB C[C@@H](CNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 103329405 JSIUUVALJFDELQ-KXBFYZLASA-N 351.450 1.819 0 40 FDAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1N 6247673 QNBFKCUHKQXHLA-UHFFFAOYSA-N 363.395 1.244 0 40 FDAB COc1cc(C(=O)O)cc(I)c1OCC(=O)O 7604121 SBUWOWLSJOQKJN-UHFFFAOYSA-N 352.080 1.461 0 40 FDAB O=C(NC[C@H](O)Cc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 104908912 WUYCYZGLCRXOBJ-GOSISDBHSA-N 374.462 1.560 0 40 FDAB CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 24014389 UPTZGHKPKCTNFH-VBKZILBWSA-N 372.469 1.936 0 40 FDAB CCn1c(=O)n(CC(=O)NCc2nnc3ccccn23)c2ccccc21 9835631 NIEQQTDQRLLBLW-UHFFFAOYSA-N 350.382 1.182 0 40 FDAB COC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 25380210 SEDLUVABOLCFJX-UHFFFAOYSA-N 367.361 1.777 0 40 FDAB COc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OC)cc2)cc1 1728124 FSLCSENNTORBKX-UHFFFAOYSA-N 354.318 1.787 0 40 FDAB CCOc1ccc([C@@H](C)N(C)C(=O)Cc2c(C)[nH]c3ncnn3c2=O)cc1 100772093 ZWJROPGZLDQTNR-CYBMUJFWSA-N 369.425 1.887 0 40 FDAB Cc1ccc(CN(CCN(C)C)C(=O)CN2C(=O)COc3ccccc32)o1 58203488 YZBMYIOSRDDYNV-UHFFFAOYSA-N 371.437 1.904 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2c(n1)c(C)nn2C 28557433 HWTDHIULWXXMGM-UHFFFAOYSA-N 350.426 1.943 0 40 FDAB CN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H]1CCCc2ccccc21 23056984 KLXCXDIPXINEHK-MRXNPFEDSA-N 351.410 1.666 0 40 FDAB O=C(NC1CCN(C(=O)C2CC2)CC1)NC1CCN(C(=O)C2CC2)CC1 12764238 JMRWMLPCFHDBEI-UHFFFAOYSA-N 362.474 1.088 0 40 FDAB CCOc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 12913041 RUZVWNJDKNRISG-HNNXBMFYSA-N 357.410 1.951 0 40 FDAB CCCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CCC)c(=O)n1C 5148191 HXHDBVRNWDXVGE-UHFFFAOYSA-N 360.462 1.939 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccncc1 9314286 GUFVAXNTTWFJFH-LJQANCHMSA-N 350.378 1.804 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 9313748 YEUFSVKTZREHKP-UHFFFAOYSA-N 358.423 1.542 0 40 FDAB O=C(c1cc(C2=NN=C(NC[C@H]3CCCO3)SC2)c[nH]1)N1CCCC1 8943917 MMRNNVSTRGCFLU-CYBMUJFWSA-N 361.471 1.826 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4ncccn4)CC3)c2O1 6607178 FZYAGMXRQLGXCF-UHFFFAOYSA-N 368.437 1.918 0 40 FDAB CCCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n(C)n1 92877235 UJBPZLJOLGYCDD-UHFFFAOYSA-N 365.459 1.738 0 40 FDAB COc1ccc(-c2nc3nc(O)cc(NC(=O)[C@@H]4CCCO4)n3n2)cc1 9014195 ZNENOUXCFUIDGX-LBPRGKRZSA-N 355.354 1.623 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](CNC(C)=O)C2)CC1=O 67365370 DCSFTWLXWABUIR-WMZOPIPTSA-N 371.481 1.977 0 40 FDAB Cc1nnc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 7566115 WMXJCNSEWPNWAL-UHFFFAOYSA-N 351.384 1.520 0 40 FDAB COc1ccccc1CNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 8114450 FXLSLPABUFVKKI-UHFFFAOYSA-N 374.393 1.507 0 40 FDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)cc1 19799202 PFBUETIOKWFATA-UHFFFAOYSA-N 365.434 1.517 0 40 FDAB CN(C)C(=O)CCN1CCN(CCCc2nc(-c3ccccc3)no2)CC1 83844026 FZJJOZXUYSGHHQ-UHFFFAOYSA-N 371.485 1.765 0 40 FDAB Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1-n1cnnn1 72405381 SSHVCZAYXPKHRX-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB O=S1(=O)CCN(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)CC1 97094648 HNQWOAZHOQCZFC-UHFFFAOYSA-N 374.510 1.567 0 40 FDAB N[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 85368364 KXCWCPJHGPWZCJ-CHWSQXEVSA-N 353.264 1.620 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC[C@H]1[C@@H](C)O 95993517 HRLUYHBYKOJACM-DYVFJYSZSA-N 366.483 1.811 0 40 FDAB CN(C(=O)CN1CCC[C@H]1C(=O)Nc1nccs1)c1nccs1 74314058 VNAMRCAPLAFUEX-JTQLQIEISA-N 351.457 1.666 0 40 FDAB COc1ccc(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 25432777 ZQJBNKJMGJLAAK-UHFFFAOYSA-N 353.378 1.677 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)NS(=O)(=O)C3(C)CC3)CC2=O)c1C 408346073 OQOVXQOIZJYCTL-CYBMUJFWSA-N 350.440 1.655 0 40 FDAB O=C([C@H]1CCOC1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395595 HXIXQIIYFJWBGN-RWMBFGLXSA-N 373.379 1.841 0 40 FDAB Cc1ccnn1CCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524734128 ZQQBLMDZSNUOED-URLQWDBASA-N 354.410 1.418 0 40 FDAB Cc1nc(CC2CC2)oc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 530561232 MYEOIPSGVSWNPY-UHFFFAOYSA-N 368.437 1.997 0 40 FDAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccc(F)cc3)c21)NC1CC1 72347775 NKIOPEXDBKHYRT-UHFFFAOYSA-N 368.372 1.292 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218206536 KNHZHRMPRMFWBY-NQBHXWOUSA-N 363.229 1.413 0 40 FDAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCO)c1ccccc1 217458351 FXIQASVKXXJSSF-LBPRGKRZSA-N 364.423 1.829 0 40 FDAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccn1 225512907 RGGIPGMBZMHWPN-CYBMUJFWSA-N 363.439 1.561 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 96063406 HUELYKUMOCYQTC-HKUYNNGSSA-N 356.426 1.677 0 40 FDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5nnc(C6CCOCC6)s5)[C@H]1[C@H]3[C@@H]42 578810022 PWJSISQKADRARM-BZILSLIZSA-N 357.435 1.698 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96075143 ZSXZJAXELPEUBS-CXAGYDPISA-N 366.439 1.806 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC)c(O)c2)o1 96114558 VJYYPPSLSOWFBM-GFCCVEGCSA-N 364.350 1.901 0 40 FDAB biogenic COC[C@H]1CN(C)CC12CCN(C(=O)COc1ccccc1OC)CC2 248162483 YHNIQRKXLQLYIX-MRXNPFEDSA-N 362.470 1.891 0 40 FDAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 244154202 UWRDJNUWGNOGMJ-UHFFFAOYSA-N 366.414 1.472 0 40 FDAB O=C(O)[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242723243 YIGHDHVYLNNDSZ-ZMSDIMECSA-N 350.367 1.829 0 40 FDAB O=C(NC(CO)CO)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257279138 OFDLAOLGEAWLAX-UHFFFAOYSA-N 370.449 1.557 0 40 FDAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1c(C)nn(C)c1C)C2 253387175 ZMLZSRCDUXQEJJ-HNNXBMFYSA-N 370.519 1.158 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCOC[C@H]2CCc2cnccn2)c1 257287286 PPHRULOBYUZNMM-MRXNPFEDSA-N 357.410 1.968 0 40 FDAB C[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1n1ccc(O)nc1=O 257327275 XATROIHBIRVZMZ-RDTXWAMCSA-N 359.382 1.284 0 40 FDAB O=C(NC1CCN(c2cccnn2)CC1)[C@]1(O)CCc2ccccc2C1 585081997 NJXBDOBCDBNFDA-FQEVSTJZSA-N 352.438 1.482 0 40 FDAB CN(C)Cc1cnn2c(C3CCN(C(=O)c4cc[nH]n4)CC3)ccnc12 257244060 IJRMOLDMHAYBKE-UHFFFAOYSA-N 353.430 1.534 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N[C@H](c1ccccc1)c1nccn1C)n1cnnn1 604419271 FJHIVKZFRIPOMA-IMJJTQAJSA-N 353.430 1.900 0 40 FDAB O=C1NCCN(C(=O)CN2C(=O)CCc3ccccc32)[C@@H]1c1cccs1 608195208 IADPQADMXHVYEQ-GOSISDBHSA-N 369.446 1.727 0 40 FDAB COc1ccc(CC(=O)N2CCO[C@H]3CCOC[C@@H]32)cc1OC(F)F 606446207 FSVYBBFLWYAEBR-STQMWFEESA-N 357.353 1.855 0 40 FDAB CCn1cc(O[C@@H]2CN(c3ncncc3-c3ccccc3)C[C@H]2O)cn1 624421020 MMHFRAFIUISGPU-QZTJIDSGSA-N 351.410 1.989 0 40 FDAB NC(=O)c1cccc(Oc2ccc(NC(=O)NC[C@H]3CNC(=O)C3)cc2)c1 1209227325 LMEKEFIVTRNUHL-GFCCVEGCSA-N 368.393 1.835 0 40 FDAB Cn1c(=O)c(-c2c(F)cccc2F)cc2cnc(S(C)(=O)=O)nc21 642882583 ORXOVOVHQKTVMZ-UHFFFAOYSA-N 351.334 1.677 0 40 FDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)cs1 575406655 ZOVCMBABWFKZMX-UMVBOHGHSA-N 351.472 1.701 0 40 FDAB COc1cc(C(=O)NCC(C)(C)N2CCOCC2)cc2c1OCCO2 57991791 ACVPRISWVGSVQL-UHFFFAOYSA-N 350.415 1.307 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCCSC[C@H]1CN1CCOCC1 85473304 YNKJOKKPYVSTRE-MRXNPFEDSA-N 367.515 1.890 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859208 YDLUCODCJLECIE-SUNKGSAMSA-N 364.295 1.952 0 40 FDAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 12127473 MZASNTSZLLIUNI-SNVBAGLBSA-N 368.846 1.881 0 40 FDAB Cc1nc2cc([C@H]3CCCN3C(=O)CN3CCCC3=O)nn2c(O)c1C 12336984 AOIKSEUQRAHJKU-CQSZACIVSA-N 357.414 1.338 0 40 FDAB NS(=O)(=O)Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 12799554 WXHRSDJGUNZDQH-UHFFFAOYSA-N 370.434 1.972 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 14118424 MJGZZOSVVBSRJC-GFCCVEGCSA-N 366.373 1.931 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 14607421 DGGODKVUHYOOCK-GOEBONIOSA-N 374.437 1.911 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3)C2)c2nccnc21 19021581 RWIQFQHSGSLFJM-QGZVFWFLSA-N 364.453 1.952 0 40 FDAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCN2CCCC2=O)n1 19457493 PJRVVPIXJZXKGN-NSHDSACASA-N 364.837 1.458 0 40 FDAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2C 19698488 QECGCFRMLBLVNC-CYBMUJFWSA-N 367.475 1.027 0 40 FDAB CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 161736386 ZBPQUVLXWXIPDM-CYBMUJFWSA-N 356.444 1.100 0 40 FDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 8103587 FZTNADKUTRJWRK-LCYFTJDESA-N 350.396 1.581 0 40 FDAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNCc1ccccc1N1CCOCC1 527568100 MDOICTMJAQVAND-LZLYRXPVSA-N 357.458 1.286 0 40 FDAB CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)C1 19500090 JMPDIKPNNGFJFL-AWEZNQCLSA-N 360.458 1.427 0 40 FDAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 10619825 MHBHUQMKIZVSCZ-RYUDHWBXSA-N 354.428 1.058 0 40 FDAB Cc1ccccc1NC(=O)N1C[C@@H]2CN(c3cc(=O)n(C)c(O)n3)C[C@@H]2C1 1888866510 XURIRWVRHOVKLK-OKILXGFUSA-N 369.425 1.394 0 40 FDAB Cc1nc(C2CC2)cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888875935 MOTYPJYAYOBCKN-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 15713924 MRNAXYNAYNRDOL-HUUCEWRRSA-N 367.467 1.884 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ncccn2)CC1 25785526 CTAKPOJQJJTDFC-UHFFFAOYSA-N 351.410 1.285 0 40 FDAB CN(C)c1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1 2087126152 VMCMSLUSZKNVDO-UHFFFAOYSA-N 357.340 1.267 0 40 FDAB O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565542281 NDZVAYZESHZKCG-LBPRGKRZSA-N 353.386 1.312 0 40 FDAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542639 SKQGNPPYLLJEMG-NQIIRXRSSA-N 350.418 1.740 0 40 FDAB Cc1nc(CN2CC3(CCN(C(=O)CCF)CC3)OCC2=O)cs1 1565555793 PINZJFAMIQKXBA-UHFFFAOYSA-N 355.435 1.531 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)cn1 1565554835 GSWXDFSGMSXNFA-PXNSSMCTSA-N 373.497 1.986 0 40 FDAB COC(=O)c1cc(OC)c(S(=O)(=O)NCc2ccccc2)cc1OC 1428388 HDZRWWMYYRDBEM-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB CCN(CC)C(=O)Cn1cnc2c(nnn2-c2ccc(C)c(Cl)c2)c1=O 5057365 ZGAXRMZVPLSCCB-UHFFFAOYSA-N 374.832 1.807 0 40 FDAB O=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccccc2)no1)OCO3 16843514 JQHZOKRHSMKFMZ-UHFFFAOYSA-N 364.317 1.517 0 40 FDAB O=C(NCc1noc2c1C[C@H](NCc1cn[nH]c1)CC2)C1CC(F)(F)C1 2055729999 OTCHWZBGTGLZKL-GFCCVEGCSA-N 365.384 1.706 0 40 FDAB Cn1cc(-c2ccc(CNC(=O)[C@H]3COc4ccccc4O3)cn2)cn1 575617223 UOPYCFMSVDJEDL-GOSISDBHSA-N 350.378 1.938 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C 19556512 JFIFWKRUYUJPCK-QGZVFWFLSA-N 354.458 1.608 0 40 FDAB COc1ccc(CCNC(=O)Nc2nnc(SCC(N)=O)s2)cc1 35590192 IFTMQKISRTXLIP-UHFFFAOYSA-N 367.456 1.488 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)n1 102037760 ZCQOKTUHTJWITP-NGERZBJRSA-N 352.412 1.934 0 40 FDAB CCCS(=O)(=O)NC1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 30137275 DDPXZVSEMQVGHY-UHFFFAOYSA-N 358.460 1.668 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2nc3c(s2)CCC3)=NN1c1ccc(F)cc1 30692155 XNFKGQDQXZRYCY-CYBMUJFWSA-N 373.413 1.830 0 40 FDAB CC[C@H](C)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773638 HRZJVKHSEXDYCB-BHYGNILZSA-N 350.484 1.916 0 40 FDAB CC(C)n1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20756217 IBAUKBPEXVRNMM-INIZCTEOSA-N 354.410 1.882 0 40 FDAB biogenic COc1ccccc1[C@H](C)N(C)C(=O)NCCC(=O)N1CCN(C)CC1 46227132 VFNXEWBULGMOBE-HNNXBMFYSA-N 362.474 1.562 0 40 FDAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)cn1C)c1ccc(OC)cc1 29701914 XUYRBKSKXITLOH-OAHLLOKOSA-N 365.455 1.823 0 40 FDAB CN1N=C(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)CCC1=O 60341108 HEVGQIZJJRVOOK-UHFFFAOYSA-N 351.366 1.881 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C[C@@H](O)COCc1ccccc1OC 2624920 YTOKDZGMHOHEDN-MRXNPFEDSA-N 352.475 1.809 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](C)C2)C1 78725963 HIBGSFUWXSWMEZ-SMDDNHRTSA-N 355.460 1.561 0 40 FDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3256692 NNRUNQHYDJZCOI-FZMZJTMJSA-N 359.430 1.506 0 40 FDAB CN(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1cccs1 22064484 ORHRBHSYCHPPLI-UHFFFAOYSA-N 365.436 1.354 0 40 FDAB CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 4304017 RUCQWWFOOHLMCY-LLVKDONJSA-N 355.398 1.610 0 40 FDAB COCCOc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cn1 41798773 FVBUUXHHRNOLIL-UHFFFAOYSA-N 365.336 1.640 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 7667775 IKQUOVASDRZNEE-UHFFFAOYSA-N 370.452 1.130 0 40 FDAB COC(=O)c1cc(-c2cnn(C)c2)nc2c1c(C1CC1)nn2CC(=O)O 12396313 WTKUBVNEIWIFAW-UHFFFAOYSA-N 355.354 1.580 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107228502 WUWZFHNSFUFROL-CZUORRHYSA-N 357.451 1.996 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NN1C(=O)c2ccccc2C1=O 96997080 JFZQIWWNDMYWJJ-CYBMUJFWSA-N 359.382 1.713 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCC2)cc1 55408376 SGBLWZMUUWQPAD-HOTGVXAUSA-N 357.497 1.467 0 40 FDAB C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101635529 XTYMRHPUEMVNQC-YJNKXOJESA-N 360.458 1.447 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 58296000 RWTZHURHALOQAI-OAHLLOKOSA-N 371.460 1.796 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58290977 LORDHHBKOXLAMY-BBWFWOEESA-N 369.421 1.556 0 40 FDAB CCCCc1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1 12758360 PPDAZLVBIQTMPO-UHFFFAOYSA-N 370.456 1.789 0 40 FDAB O=C(NCCNC(=O)c1n[nH]c2ccccc12)NCc1ccccc1F 58440197 WPSIBZQYWAUVAO-UHFFFAOYSA-N 355.373 1.931 0 40 FDAB COC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)ccc1F 12749110 JCCVEIMVLIQBAM-UHFFFAOYSA-N 355.325 1.961 0 40 FDAB Cc1c(NC(=O)[C@H](C)NC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3414673 HUCRMEGWVILSTP-BBRMVZONSA-N 358.442 1.580 0 40 FDAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cn1 8747434 HXOVWEMAXKTLRO-UHFFFAOYSA-N 361.423 1.461 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 12998344 OWHHBLARSFLXLG-INIZCTEOSA-N 374.418 1.074 0 40 FDAB Cn1c(=O)n(C[C@@H](O)COCc2ccc3c(c2)OCO3)c2ccccc21 12953870 UTTKZWAAJIYUJK-CQSZACIVSA-N 356.378 1.646 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccccc2OC)cc1 26788777 ZIKNHEMZJUMTKH-UHFFFAOYSA-N 356.378 1.779 0 40 FDAB CC(=O)c1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 12982831 ULVRKMYBMXQKBE-UHFFFAOYSA-N 351.362 1.921 0 40 FDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)NC1CCCCC1 409226453 STSJHEGZHIMIOH-UHFFFAOYSA-N 356.378 1.722 0 40 FDAB CCc1ccc(OCC(=O)NCCCCN2CCN(CCO)CC2)cc1 83823760 ORSGRKZBKMNNOW-UHFFFAOYSA-N 363.502 1.134 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 63457300 TXEXTUCHMLIRGG-UHFFFAOYSA-N 368.846 1.070 0 40 FDAB COc1ccccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 306129476 IEHCDDVCOUWOMY-QWFCFKBJSA-N 367.449 1.967 0 40 FDAB CCN(CC)CCn1c(SCC(=O)N(C)C)nc2ccccc2c1=O 6370101 HRJVUQGVIHVJEA-UHFFFAOYSA-N 362.499 1.919 0 40 FDAB CC(C)[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)N1C[C@H](C)O[C@H](C)C1 65512598 NWCVBPYBVOYILS-WDMOLILDSA-N 354.476 1.243 0 40 FDAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc2c(c1)OCCO2 5672404 VHPXTJCBRQVNPD-UHFFFAOYSA-N 353.338 1.451 0 40 FDAB CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 4948861 XHHLOLYYIZJTEM-MRXNPFEDSA-N 362.451 1.666 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C[C@@H](C)O1 15980302 NNEXVDOPVDSHFK-QHRIQVFBSA-N 357.410 1.016 0 40 FDAB O=C(Nn1cnnc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669487 AZVFZJIZPKGLQP-INIZCTEOSA-N 371.422 1.355 0 40 FDAB CCOC(=O)c1sc2ncnc(NCCN3CCOCC3)c2c1C 19793106 PWOSDWZCNDQBSO-UHFFFAOYSA-N 350.444 1.921 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c(C)noc2C(C)C)NC(=O)N[C@@H]1C 8394774 FNXOEJIDRKYARW-SECBINFHSA-N 365.386 1.782 0 40 FDAB COc1ccc(CCNC(=O)COc2cn(C)c(C)cc2=O)cc1OC 72326268 FDBSVZCBBFWSRV-UHFFFAOYSA-N 360.410 1.449 0 40 FDAB biogenic Cc1ccc(C)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)N(C)C)c1 20244715 POUYUQBJKYFIKR-UHFFFAOYSA-N 362.455 1.950 0 40 FDAB CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccn(Cc2cccnc2)n1 75110234 UFYLVGSRPOBIKW-UHFFFAOYSA-N 373.457 1.712 0 40 FDAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)CC3CCC3)cc2)CC1 89954531 GCHXJKMSAUCSAT-UHFFFAOYSA-N 352.456 1.864 0 40 FDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)nc(C)n1 548349593 FQVYOCORWJZLPS-KBPBESRZSA-N 373.436 1.296 0 40 FDAB O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1-n1cnnc1 38828849 MTTGIYQVOYIZLH-UHFFFAOYSA-N 364.756 1.663 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(Cl)ccc32)CC1 32094892 BQCLYXYUHKDMIK-UHFFFAOYSA-N 355.847 1.399 0 40 FDAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)Nc1ccc(F)cc1 56999921 HZIVVISXDZKDDE-UHFFFAOYSA-N 359.405 1.357 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21)C1CC(F)(F)C1 306128217 GUNMJCGHUCLYLS-RAIGVLPGSA-N 356.348 1.228 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 33784732 FHYGZKRPDJRUCH-AWEZNQCLSA-N 362.451 1.721 0 40 FDAB COc1ncccc1CN1CC[C@@]2(C1)CN(S(C)(=O)=O)c1cccnc12 306126800 FFOZRACFDYQFNN-GOSISDBHSA-N 374.466 1.409 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)s1 79480106 HVFBWIDDUFRKJO-SECBINFHSA-N 368.850 1.983 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@]1(OCCO)CCSC1 1565520002 BEKYUELGEXLDPL-NKEDHYFDSA-N 351.424 1.429 0 40 FDAB CC1(C)O[C@H]2[C@H](OCCO)C[C@H](NC(=O)OCc3ccccc3)[C@H]2O1 214484598 OCBUGPAQVZSMFX-JJXSEGSLSA-N 351.399 1.583 0 40 FDAB CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 72346595 YAFNSGRWAMGEPN-AXVVYFOYSA-N 353.422 1.199 0 40 FDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nnc1C1CC1 32910269 GHPIAKIVBDUUNK-UHFFFAOYSA-N 369.353 1.922 0 40 FDAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)CCn2cncn2)CC1 72348230 ROQDQHLZCZPVBI-UHFFFAOYSA-N 364.409 1.460 0 40 FDAB CCCS(=O)(=O)NC1CCN(Cc2ccc(C(=O)O)cc2F)CC1 568060945 URWGDJBIIVYMRX-UHFFFAOYSA-N 358.435 1.818 0 40 FDAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCSc1ncn[nH]1 225872741 UIGVURKPPVVAGY-UHFFFAOYSA-N 362.390 1.835 0 40 FDAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225558857 FYSUIXFFSPYGOV-UNEWFSDZSA-N 364.467 1.626 0 40 FDAB COCc1nn2c(=O)cc(COC(=O)CCc3ccccc3)nc2s1 41077295 SBTNNRQDLZSPTN-UHFFFAOYSA-N 359.407 1.973 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1N1CCCC1=O 77108568 VOGZBBOWKADUJV-MRXNPFEDSA-N 359.426 1.338 0 40 FDAB Cc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C 96901843 DRJVDZXBUINUKE-UHFFFAOYSA-N 355.446 1.512 0 40 FDAB Cc1nnc([C@]23COC[C@H]2CN(C(=O)c2cccc4c2OCCO4)C3)o1 96111153 ZAERXEGHFSPLJE-KZULUSFZSA-N 357.366 1.189 0 40 FDAB Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)no1 96264804 MANXQLGQQWWHQD-UHFFFAOYSA-N 360.439 1.917 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccc(C)c3)CC2)O1 96243560 HKXGPZNKLBQESR-KRWDZBQOSA-N 354.454 1.828 0 40 FDAB COc1ccc(C[C@@H](C)CNS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 581546105 VDFREROOLWVMDR-UKRRQHHQSA-N 370.471 1.505 0 40 FDAB C[C@@H]1CCCCN1CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 248048314 AKUAVLAEVFBKNY-CVEARBPZSA-N 357.502 1.703 0 40 FDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CCOC[C@H](C2CCC2)C1 584119539 RKBNEPMYWPYMEY-MRXNPFEDSA-N 358.504 1.659 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 247887604 SFKKIFUQJWSWJU-GOSISDBHSA-N 353.426 1.684 0 40 FDAB CN(C(=O)c1cccc(Cn2ccnc2)c1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257203550 AQOYYJSKAILLDC-GUDVDZBRSA-N 365.437 1.965 0 40 FDAB CN(C)c1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)ccn1 257271397 MYDIFJMCGANSKS-ZDUSSCGKSA-N 359.430 1.142 0 40 FDAB CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)nc(O)n1 257256700 KMMLRSMDYDVDHF-SFHVURJKSA-N 350.463 1.300 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)c1C 257265768 MAELSXVIQJBDJR-CQSZACIVSA-N 351.476 1.822 0 40 FDAB O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1 276569884 BEUBCPIUYGJJIM-XYJFISCASA-N 353.426 1.734 0 40 FDAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1c[nH]nc1[C@@H]1CCCNC1 643724560 QILMWNWOKQKMSJ-CABCVRRESA-N 359.474 1.398 0 40 FDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2ccnc2C1 644359060 UWXUPNBTCXGXAG-HXUWFJFHSA-N 354.454 1.643 0 40 FDAB NC(=O)N1CCC[C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 673349248 GUYASUTWQCBSAG-NSHDSACASA-N 366.853 1.251 0 40 FDAB COc1ccc2cc(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)[nH]c2c1 604372127 YZGUPPYZGRBJEL-INIZCTEOSA-N 372.469 1.313 0 40 FDAB Cn1cnnc1CN1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995588 AQQBOJSAGUIVHH-LLVKDONJSA-N 367.251 1.659 0 40 FDAB CCOCCONC(=O)N1CC[C@](c2nc(C)no2)(C(F)(F)F)C1 1775960398 JNXUBMVIAPACRY-LBPRGKRZSA-N 352.313 1.562 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccccc3Cl)C2)OC1 585105378 VQBVZQKTRXMSMX-CYBMUJFWSA-N 358.891 1.870 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 585102804 IEPPEHQJDJQXLM-YLJYHZDGSA-N 357.454 1.502 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)CN1CC1CC1 585103760 OZNRZEOPHNNWRA-GOSISDBHSA-N 360.502 1.702 0 40 FDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)/C=C/c2c(C)nn(C)c2C)C1 585289807 NYAKCCFBPBYXNF-UCFODXPJSA-N 362.474 1.584 0 40 FDAB CCCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585097916 PAHVNFZPSIJSEQ-AWEZNQCLSA-N 355.442 1.840 0 40 FDAB COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)c1 952844801 KBFNDRRKTKNXCZ-OVYGPGRDSA-N 365.817 1.361 0 40 FDAB biogenic,in-vitro Cn1nc2c(CN3CCC[C@H](CO)C3)cc(-c3ccccc3)cn2c1=O 12233833 IKCPPBVCEMVZSB-HNNXBMFYSA-N 352.438 1.904 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)N1CCN(C2CCCCC2)CC1 12472121 AZBTYHLUBOJDTE-UHFFFAOYSA-N 357.454 1.889 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1 15175892 NRDXKSYALZOBRU-UHFFFAOYSA-N 355.460 1.018 0 40 FDAB CNc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CN(C)CC2 19711059 OKYRSVJALKQEMK-UHFFFAOYSA-N 366.469 1.921 0 40 FDAB CC1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)COC1 19749429 VTOBNMUPTPQULM-UHFFFAOYSA-N 360.389 1.356 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)C)cc1OC 5403631 AVPNLVHCGJBMTF-SOFGYWHQSA-N 350.371 1.494 0 40 FDAB Cc1ccn(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1 12253109 GCBSEGFNRIQAMI-UHFFFAOYSA-N 357.439 1.438 0 40 FDAB Cc1ccnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1 1888843951 FZHOTNYWLQAOSS-UHFFFAOYSA-N 357.336 1.580 0 40 FDAB Cc1nc2ncnn2c(N2CCN(c3ncnc(C4CC4)c3F)CC2)c1C 1888876331 FMMNGNOMCGVXSZ-UHFFFAOYSA-N 368.420 1.874 0 40 FDAB O=C([C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)N1CCOCC1 1889128325 WKOCEYVRPPCXOH-OAHLLOKOSA-N 358.360 1.765 0 40 FDAB CCc1sc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 21185948 JXYHMPDANBZSSV-LLVKDONJSA-N 359.469 1.421 0 40 FDAB COc1ccc(C(=O)N2CC[C@H]3C[C@]32C(=O)NCc2cccnc2)cn1 2056224085 QVWBUFQVIWBMDO-HNAYVOBHSA-N 352.394 1.406 0 40 FDAB O=C(N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1)C1(F)CCC1 1614930121 SJIIEFGOXLTBAZ-MRXNPFEDSA-N 352.385 1.706 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)CC1=O 1614940481 OARKQXFCGFVLOP-IBGZPJMESA-N 362.474 1.583 0 40 FDAB c1cc(-c2ccnc(N3CCN(c4ccc5nncn5n4)CC3)n2)ccn1 2087044682 MKWKBGQVBIJNIN-UHFFFAOYSA-N 359.397 1.303 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@@H]2O1 1565545838 MUGQNUMROLUNPI-JLSDUUJJSA-N 371.437 1.863 0 40 FDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352426 QZRNJAMKXLOZQE-HNNXBMFYSA-N 366.845 1.801 0 40 FDAB O=C(CC1CC1)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771934 KMZYJAQOOZLLKZ-HNNXBMFYSA-N 358.364 1.679 0 40 FDAB CN(C(=O)c1cnn[nH]1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973725 ROFHUGJQVPZKJP-UHFFFAOYSA-N 353.361 1.362 0 40 FDAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccc3c(c2)CCO3)cn1 575619259 KFKJUEBEHIEOSZ-UHFFFAOYSA-N 371.422 1.291 0 40 FDAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3ccccc3=O)n2)o1 25403522 ARJRFOUUGCKJNN-UHFFFAOYSA-N 372.406 1.840 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)NCCc1c[nH]c2ccccc12 101490672 DGFDTBIMLPOKCN-UHFFFAOYSA-N 364.409 1.499 0 40 FDAB Cc1nc(CN2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cs1 30003159 MISUMXPARFFOIM-UHFFFAOYSA-N 362.499 1.846 0 40 FDAB Cc1ccc2nc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)sc2c1 40039190 ASQCWJLKZBLURD-NSHDSACASA-N 353.469 1.662 0 40 FDAB O=C(O)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](Cc3cccc(=O)n32)C1 100405439 NALKAKQYXFHVCM-WPRPVWTQSA-N 361.383 1.049 0 40 FDAB Cc1nc(C)c(CC(=O)N(C)Cc2ccccc2N2CCOCC2)c(=O)[nH]1 31221236 CLSAPJNLFUPUTD-UHFFFAOYSA-N 370.453 1.424 0 40 FDAB CN1CCN(Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)CC1 20650958 VMWLQQJYYQWKOG-UHFFFAOYSA-N 370.497 1.638 0 40 FDAB CCCN(CCC)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 46798779 JWMKXQNZCGLUSF-MRXNPFEDSA-N 373.519 1.918 0 40 FDAB Cn1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1=O 77658019 LLOLYARGEWDLTE-UHFFFAOYSA-N 352.394 1.506 0 40 FDAB O=c1oc2ccccc2n1CCCN(CCC(F)(F)F)C[C@H](O)CO 79058674 NTHZPKFMQOBSBO-LBPRGKRZSA-N 362.348 1.592 0 40 FDAB O=C(CC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 33664567 NPOOTGRWIMIZBW-UHFFFAOYSA-N 368.455 1.932 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CSc2cc(F)ccc2F)CC1 8707071 USBHGBZFBVGXMP-UHFFFAOYSA-N 350.412 1.161 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 728823 ALTWQDPIELFMJX-ZDUSSCGKSA-N 352.412 1.678 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3nnsc3Cl)CC2)no1 23353273 VGFGZQNRFQLNBX-UHFFFAOYSA-N 356.839 1.244 0 40 FDAB O=C(Cc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 42671087 SVMZXPQNDNCYCT-IBGZPJMESA-N 366.417 1.740 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 57578038 WLGAFURZCABPBS-SNVBAGLBSA-N 362.382 1.440 0 40 FDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24647158 MBYHYWKEVHUIRQ-CYBMUJFWSA-N 353.378 1.522 0 40 FDAB Cc1csc(=O)n1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12574807 YBYAILAPWGNCGM-OAHLLOKOSA-N 360.414 1.997 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccn2)n(C)c1 12536509 PHITYNUGXVUGFG-UHFFFAOYSA-N 350.444 1.381 0 40 FDAB CC(=O)c1cccc(OS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 25146645 UCIDXTMXTUVTPA-UHFFFAOYSA-N 360.347 1.187 0 40 FDAB COc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@@H]1CS(=O)(=O)C[C@H]14 1430279 HGRQOINXIAPQCS-GHMZBOCLSA-N 363.420 1.330 0 40 FDAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)NC3CC3)c(C)c2)CC1 56170345 MONODZIXHFHMCL-OAHLLOKOSA-N 373.501 1.926 0 40 FDAB Cc1nc(CCNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cs1 25999935 IADAZBWCXRAATB-UHFFFAOYSA-N 364.471 1.755 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1c2ccccc2C[C@@H]1O 57004903 RROGOMRSKVHBSO-TUKIKUTGSA-N 357.376 1.828 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57426495 ZOJGCASAZDGZQL-ZDUSSCGKSA-N 355.419 1.565 0 40 FDAB CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3F)cn2)CC1 12613812 BKJCZUAYUPILSR-UHFFFAOYSA-N 371.416 1.341 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CN1CCCN(S(C)(=O)=O)CC1 24921463 RGEDAAYWNVCTPA-UHFFFAOYSA-N 359.879 1.554 0 40 FDAB Cc1ccc(CN(CCN(C)C)C(=O)Cc2ccc(-n3cnnn3)cc2)o1 58213078 ILONFCJXWRKRIV-UHFFFAOYSA-N 368.441 1.697 0 40 FDAB Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1ccccc1 36125633 QONBGPWHWURVMG-UHFFFAOYSA-N 369.469 1.561 0 40 FDAB O=C(CN1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc(OC(F)F)cc1 45096673 HUJWVERMFRXSOB-CQSZACIVSA-N 353.369 1.970 0 40 FDAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CCCCCC1 36358552 MTTZFHKGYPEBMC-CABCVRRESA-N 373.519 1.336 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)c1ccc(N2CCCC2=O)cc1 36386047 CHNTXDJQSDDXNI-UHFFFAOYSA-N 365.437 1.608 0 40 FDAB COC(=O)c1ccc(Oc2ccc3nnnn3n2)c(Br)c1 12749162 WXGXNYDYJGDARA-UHFFFAOYSA-N 350.132 1.861 0 40 FDAB Cn1cc([C@@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 36619566 XQOSDVCIAQWUTN-LBPRGKRZSA-N 369.406 1.913 0 40 FDAB CCCS(=O)(=O)N1CCC(C(=O)Nc2nnc3ccccn23)CC1 48311256 QGNXFDOYHPWGEV-UHFFFAOYSA-N 351.432 1.120 0 40 FDAB Cn1nc(CC(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc2c1=O 29331593 RXTIPVJZOOMCBE-UHFFFAOYSA-N 374.404 1.755 0 40 FDAB COC[C@](C)(O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Br 72304529 RVRGJSSTYQXWOR-LKFCYVNXSA-N 364.211 1.869 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846626 LGKNETYUJZLZKG-LBPRGKRZSA-N 356.403 1.809 0 40 FDAB CN1CC[C@H](NCc2ccccc2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 306123774 AWJAUMPQCRFYIS-ICSRJNTNSA-N 356.470 1.522 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)[C@H]1C(=O)O 71285303 TUNJPBPIUJGDAQ-CVEARBPZSA-N 360.410 1.983 0 40 FDAB O=C(OCC(=O)N1CCOCC1)c1c[nH]c2ccc(Br)cc12 16327303 BTGUBHZARCQLPP-UHFFFAOYSA-N 367.199 1.946 0 40 FDAB CC(C)COc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 408709401 SDGTUUQCEGSFMH-UHFFFAOYSA-N 363.458 1.498 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1-c1ccccc1 71801211 BCQOACXRSDZSRP-ZJWNCGCPSA-N 355.423 1.938 0 40 FDAB COc1ccccc1NC(=O)/C=c1/s/c(=C/c2cccnc2)c(=O)n1C 96765528 VGFDDUABSUKJSH-IRYLMLMTSA-N 367.430 1.098 0 40 FDAB CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@H]1CC 9745498 OIBCEYYJYKQFCV-LBPRGKRZSA-N 356.382 1.305 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Nc2ccc(F)cc2)s1 9836251 RZHSKOMBJZCTQU-UHFFFAOYSA-N 356.404 1.802 0 40 FDAB O=C(NC(CO)CO)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 95456350 NCFYBGWBQIHSEV-UHFFFAOYSA-N 363.845 1.878 0 40 FDAB CN(C)C(=O)CNC(=O)CSc1nnc(Nc2ccc(F)cc2)s1 9951396 FFFZOBQYPAYBNS-UHFFFAOYSA-N 369.447 1.717 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCCn2ccnc2)cc1 89991189 XZWQZEZDDUABRR-UHFFFAOYSA-N 367.427 1.194 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 177126514 LEJCGFJBLQNTTJ-UHFFFAOYSA-N 358.435 1.338 0 40 FDAB CN(C)C(=O)COC1CN(c2nc(-c3cccnc3)nc3c2CCC3)C1 532276188 NQZOMKNZTRRQKM-UHFFFAOYSA-N 353.426 1.321 0 40 FDAB CN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 72241390 QNZGJXRKTJYSRQ-CVEARBPZSA-N 351.834 1.012 0 40 FDAB C[C@H](O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 31164285 KUMUOJWJSYMCFI-UWORMDEDSA-N 364.737 1.646 0 40 FDAB biogenic,in-vitro NC(=O)c1nnn(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 70998877 FRARZALPIJUUCD-UHFFFAOYSA-N 366.425 1.916 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1 79284910 QIVDYIAFHROAFQ-UHFFFAOYSA-N 363.439 1.892 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccncc1 71328872 XBQCGPCDGMHBPO-MRXNPFEDSA-N 367.453 1.618 0 40 FDAB CCCOc1c(Br)cncc1S(=O)(=O)N1CCNCC1 72210906 BQSSVQSMUCWJPR-UHFFFAOYSA-N 364.265 1.227 0 40 FDAB COC(=O)[C@H](NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O)C(C)C 71328813 WWHLEGJWFFTUHK-GOSISDBHSA-N 373.409 1.233 0 40 FDAB COc1ccccc1OCc1cn(CC(=O)NCc2cc(C)n(C)n2)nn1 227161287 CEIITVUNDPGWFD-UHFFFAOYSA-N 370.413 1.224 0 40 FDAB Cc1nc(C)c(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)nc1C 583619212 VGHLUKKNXDPZFF-CXAGYDPISA-N 356.430 1.227 0 40 FDAB Cc1cnc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cn1 96085105 JOIJQNJDNHEUJP-UHFFFAOYSA-N 351.366 1.946 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 96264948 XOMBMOLHDRTEON-IBGZPJMESA-N 362.437 1.626 0 40 FDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(C(=O)c2ccco2)CC3)C1=O 96036509 VZSOCYHQKHAZLP-HXUWFJFHSA-N 373.453 1.603 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCC(C)C)C2=O)cc1OC 96220839 QOYXNRKRPGSKPJ-ZDUSSCGKSA-N 363.414 1.287 0 40 FDAB biogenic CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)C(=O)N1CC(C)C 96261690 FDUKEJSHEVKAIE-QIIPPGSGSA-N 367.515 1.866 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1 257334957 YHZRFNDJPCJFEO-OAHLLOKOSA-N 352.398 1.523 0 40 FDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257327962 XDNSTWJTPLVZKN-SFHVURJKSA-N 357.458 1.951 0 40 FDAB CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ncccn2)C1 257278128 OAXYMJVSOHUTME-LJQANCHMSA-N 360.433 1.898 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccnc2c1ncn2C 618463439 QNFLCFXHSVJFCD-SWLSCSKDSA-N 354.414 1.692 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 623287850 LFNGYVGEIURGOJ-SUMWQHHRSA-N 351.406 1.634 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(c2nc(-c3ccccn3)nc(C)c2C)C1 643721374 YOOAWUVMZFNLQH-IBGZPJMESA-N 355.442 1.623 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 643879428 RUFTUGQDWWPFTR-MRXNPFEDSA-N 351.790 1.414 0 40 FDAB Cc1ccc(N2CCC(C(=O)N[C@H](Cc3ccncc3)C(=O)O)CC2)nc1 655601280 OQQILNPGCJYWOA-QGZVFWFLSA-N 368.437 1.814 0 40 FDAB CN1CCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ncnc3[nH]cnc13)CC2 1775992640 UEURIPPPUDYAMC-IQUTYRLHSA-N 369.473 1.455 0 40 FDAB CN(C)c1nc(CNC(=O)c2cccc(C(F)(F)F)c2)nc(N(C)C)n1 575604074 PXNUAFXPLTXMHT-UHFFFAOYSA-N 368.363 1.952 0 40 FDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cccn2C1 585099151 QHOZIPBUSBBXCV-CYBMUJFWSA-N 365.430 1.584 0 40 FDAB NC(=O)Cn1cc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cn1 57882222 YCZTZOFJLPTFTC-UHFFFAOYSA-N 369.381 1.901 0 40 FDAB CCNC(=O)Cn1nnc(-c2ccccc2I)n1 58157313 BHCRLBCEVYXMCY-UHFFFAOYSA-N 357.155 1.081 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)c(O)n1 1615143996 YCGUMOLASGBKCU-FQEVSTJZSA-N 356.422 1.850 0 40 FDAB Cn1cncc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615123293 SVZFDAYMLJLUHB-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB O=C([C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12)N1CC(O)C1 1772595564 FZOYZUGZHSBYJX-HBFSDRIKSA-N 372.465 1.298 0 40 FDAB C[C@H](C(=O)NCCCN1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13675207 RSLDBDHAHLIQBN-CQSZACIVSA-N 371.478 1.582 0 40 FDAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(S(N)(=O)=O)cc1 15763385 IUTXMHOPKANUAM-GFCCVEGCSA-N 358.419 1.987 0 40 FDAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2c(s1)CCCC2 15879937 KIPTWBMEFOKZML-SSDOTTSWSA-N 351.457 1.807 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c(OC)c1 19552549 WFUBSNPREDCLSE-ZDUSSCGKSA-N 358.398 1.070 0 40 FDAB CS(=O)(=O)CC1(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)CC1 581183132 PHYFAEKQMBTJOQ-SFHVURJKSA-N 355.475 1.877 0 40 FDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCC1 920871 GFIMFYKNKWFQDE-UHFFFAOYSA-N 358.485 1.646 0 40 FDAB Cc1cc2c(N3CCN(c4cc(-n5cccn5)ncn4)CC3)nccn2n1 1889205696 LRGDGPYEMCVMIL-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CCn2c(C)cc3ccccc32)CCN1C(C)=O 1848353774 WSSOCROCYNZQNY-GOSISDBHSA-N 370.453 1.145 0 40 FDAB Cc1noc(C)c1C(=O)NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1 1775963738 BDDLULIKDNCXDO-LBPRGKRZSA-N 359.386 1.678 0 40 FDAB biogenic,in-vitro O=C(c1ccncc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007828 GMHUPEHJEGXXJK-UHFFFAOYSA-N 350.300 1.984 0 40 FDAB COCCOC(=O)NC[C@@H]1CCC2(CCN(c3cnccn3)CC2)CO1 1614939604 WSYWXKJFDRLHNV-HNNXBMFYSA-N 364.446 1.615 0 40 FDAB Cn1cc(C(=O)N2CCCC2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9820495 UNGNDLWDNLBABB-UHFFFAOYSA-N 356.357 1.393 0 40 FDAB Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 11027419 CQTAGXQDCWUCAN-UHFFFAOYSA-N 365.455 1.481 0 40 FDAB Cn1c(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3ccccc3)C2)cccc1=O 2055739412 WLQBGXGJJTZKPA-HLLBOEOZSA-N 367.405 1.254 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055746101 KMFPNHMHAXKTHG-UHFFFAOYSA-N 374.445 1.200 0 40 FDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 22769303 MJNWXSVOISNWKO-KRWDZBQOSA-N 371.437 1.394 0 40 FDAB Cn1cc(C(=O)N2CCN(c3cc(O)nc(O)n3)CC2)c2ccccc21 1775967823 BFOJKKIVSIKWAP-UHFFFAOYSA-N 353.382 1.342 0 40 FDAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)NC2CC2)C1 2332241731 YLZGIVRWRRVHFD-NILFDRSVSA-N 356.430 1.336 0 40 FDAB CC(=O)N1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 40009655 ARERCILQTMSTAN-UHFFFAOYSA-N 359.426 1.319 0 40 FDAB Cc1ccc(CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C(C)C)o1 40151005 ZGCWBUUAMJMRKL-UHFFFAOYSA-N 370.409 1.584 0 40 FDAB CN1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 20289859 LGFAHXITKDXGHL-UHFFFAOYSA-N 363.842 1.019 0 40 FDAB COc1cc2ncn(CC(=O)NCc3ccncc3)c(=O)c2cc1OC 20725300 HEICUXLKOJMJNE-UHFFFAOYSA-N 354.366 1.125 0 40 FDAB CCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 20716482 XDRURCLAIBSOMQ-GOSISDBHSA-N 374.441 1.056 0 40 FDAB CN(Cc1nnc2n1CCCCC2)C(=O)Cc1n[nH]c(=O)c2ccccc12 32882476 ZFVVCTRRSWDZSH-UHFFFAOYSA-N 366.425 1.442 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 32870603 FOLNDBFPAZEFPI-UHFFFAOYSA-N 371.393 1.984 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 21699782 ZASCBLNPMUYOLI-HNNXBMFYSA-N 371.455 1.727 0 40 FDAB O=C(CSc1cccc[n+]1[O-])NC(=O)c1ccc(OC(F)F)cc1 2636270 ANJOBMACTYEXFO-UHFFFAOYSA-N 354.334 1.970 0 40 FDAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccc1 1289924 LRFKRLRQHXRGQF-MRXNPFEDSA-N 352.390 1.899 0 40 FDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2)n1C 3531752 NGSKZMSMEBSNKD-UHFFFAOYSA-N 355.423 1.869 0 40 FDAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CC(C)C)n(C)c1=O 12231634 XWKJOPIOCNDODN-UHFFFAOYSA-N 374.445 1.002 0 40 FDAB N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@H]1OCc1ccccc1 4530749 BOSPELTZTUYCQA-RPZLJYRGSA-N 357.406 1.731 0 40 FDAB CCOc1cc(CNn2cnnc2)cc(Br)c1OCC(N)=O 7601876 HENSZDWCJKCBLO-UHFFFAOYSA-N 370.207 1.047 0 40 FDAB 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CCCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711113 SQHNELQEPOIESA-UHFFFAOYSA-N 351.422 1.407 0 40 FDAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21 9060815 YQZNDRWVTQUCPO-MRXNPFEDSA-N 352.394 1.312 0 40 FDAB O=C(COc1ccc(-n2cnnn2)cc1)NCc1ccc2c(c1)OCO2 6786092 BSMZYJCTQNJKHT-UHFFFAOYSA-N 353.338 1.086 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 9041653 BQPRKTRRRFQRNX-UHFFFAOYSA-N 352.350 1.287 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 4803815 QNNIUYVHICCSAR-UHFFFAOYSA-N 358.463 2.000 0 40 FDAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4829740 NISYFCNMNCMJDZ-GFCCVEGCSA-N 354.410 1.830 0 40 FDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15038234 CKXUHLPQXGHTPH-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 5952923 HPUAWZDBWNFJTB-OPQQBVKSSA-N 350.268 1.610 0 40 FDAB C[C@@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1c1ccc2nncn2n1 306137346 QTSWOERIHJKYIP-GFCCVEGCSA-N 366.429 1.574 0 40 FDAB C[C@H](Oc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 7233723 AMQDZHAYJUKUBQ-NSHDSACASA-N 360.341 1.874 0 40 FDAB Cc1cc(C)n2c(CNC(=O)c3cncc(Br)c3)nnc2n1 8327151 YDEBEGHDELPFJS-UHFFFAOYSA-N 361.203 1.829 0 40 FDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 69597020 CMGLZRYZULNPCA-LLVKDONJSA-N 360.443 1.659 0 40 FDAB CC(=O)N1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1 9835276 VVDOYGZUEDWGSV-UHFFFAOYSA-N 353.422 1.189 0 40 FDAB Cn1ccc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)n1 306140800 VEKBMQWSVHBDOK-BQFCYCMXSA-N 356.426 1.509 0 40 FDAB COC(=O)c1ccc(OC)cc1NC(=O)COc1cccc(C(N)=O)c1 95394287 JTHTXMCIBSYHQC-UHFFFAOYSA-N 358.350 1.598 0 40 FDAB COc1cc(Br)c(CNC[C@@H]2CC[C@H](C(N)=O)O2)cc1OC 95414161 WRVBYVLLUBDEOY-CMPLNLGQSA-N 373.247 1.589 0 40 FDAB CN(C)C(=O)CNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 73404186 SUZYCQGBLSAJKH-OAHLLOKOSA-N 368.275 1.790 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(NCCc2cccs2)s1 9951916 LJYBDGRASDVJOV-UHFFFAOYSA-N 357.486 1.802 0 40 FDAB C[C@@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 408497904 KCTHHYZZSWLWRO-PWSUYJOCSA-N 364.423 1.544 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccccc1Cl 33767022 YPELKAVYIVSDQP-OWYFMNJBSA-N 371.817 1.461 0 40 FDAB Cc1ccc(NC(=O)c2cn3cccnc3n2)cc1C(=O)N1CCOCC1 516612749 DVWLWWOTUQRTCR-UHFFFAOYSA-N 365.393 1.762 0 40 FDAB O=S(=O)(c1cnn(C(F)F)c1)N1CCN(Cc2ccc(F)cc2)CC1 36614766 NGYUZBPHIQECHQ-UHFFFAOYSA-N 374.388 1.924 0 40 FDAB C[C@H](NC(=O)c1coc(CS(C)(=O)=O)n1)c1ccc2nc(O)oc2c1 1557755904 URISYDZCEKTMST-QMMMGPOBSA-N 365.367 1.557 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCO)c(Cl)c1 71286881 QTLHJGRMSNJLFE-NWDGAFQWSA-N 354.790 1.357 0 40 FDAB CN(C)C(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1 38261683 IMDPUVYIEFDORV-UHFFFAOYSA-N 350.488 1.397 0 40 FDAB COC(=O)CCN(C(=O)Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 32641496 WSUSPQDFXQGALX-HNNXBMFYSA-N 353.440 1.116 0 40 FDAB CNc1ncc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cn1 72374385 BZNRXLOUVZBYOP-CQSZACIVSA-N 368.441 1.635 0 40 FDAB C[C@@H](O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 71614569 CCMCYVCBDITGSI-MRVWCRGKSA-N 366.414 1.073 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 226628239 NWIQAZVQQALPMD-NOXHYTERSA-N 353.296 1.901 0 40 FDAB CC(C)NC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96253472 MTGPBBNEQABTNJ-DVOMOZLQSA-N 361.398 1.561 0 40 FDAB Cc1cccc(COC[C@H]2CC3(CCN(S(C)(=O)=O)CC3)CO2)n1 96110794 MFSANOGJOCVSLY-MRXNPFEDSA-N 354.472 1.737 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3cocn3)CC2)CN1c1ncccn1 96215757 XQVYHLRKUHZUMJ-AWEZNQCLSA-N 357.414 1.612 0 40 FDAB O=C(c1ccc[nH]1)N1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 96254143 CILGFLHTZUOYKL-UHFFFAOYSA-N 368.441 1.414 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccs2)C[C@]2(CNC(=O)C2)C1 96035985 UBSWKGHVKGENAK-KRWDZBQOSA-N 350.488 1.490 0 40 FDAB Cc1cccc(CN2CCO[C@@]3(COCCN(c4cccnc4)C3)C2)n1 96229458 QTONPQDBRYUOHR-FQEVSTJZSA-N 354.454 1.893 0 40 FDAB Cc1nc(CN2CCO[C@@H]3CN(c4nnc(C)s4)C[C@@H]3C2)cs1 96219848 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CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)CN3CCOCC3)cc2)C1 19711865 QOOIZRTYFCLELL-MSOLQXFVSA-N 361.442 1.314 0 40 FDAB CNCc1cc(NC)nc([C@@H]2CCCN2CC(=O)NC2CCCCC2)n1 19760433 SCEJCAGZSXQNAK-INIZCTEOSA-N 360.506 1.824 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCC(N2C(=O)COCC2=O)CC1 575606062 CUIYHJMPGUSJTL-UHFFFAOYSA-N 350.802 1.259 0 40 FDAB COCc1nsc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888863845 GYVGNBJDOSAVQQ-UWVGGRQHSA-N 366.422 1.200 0 40 FDAB O=S1(=O)N=C(N2C[C@H]3CN(c4ncncc4F)C[C@@H]3C2)c2ccccc21 1888930431 PUTJRXCKEGEPHA-RYUDHWBXSA-N 373.413 1.133 0 40 FDAB COc1nccnc1N(C)CC1CCN(c2ncnc3c2ncn3C)CC1 1776009897 XRZBWTGDGLRMBA-UHFFFAOYSA-N 368.445 1.515 0 40 FDAB CN(C(=O)c1ccncc1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523293 JUHORWOJOVZYOB-UHFFFAOYSA-N 363.425 1.748 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)N3CCCC[C@H]3CCO)CC2=O)cc1 5190565 TXGAFZOAJCPKHM-CABCVRRESA-N 361.442 1.747 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1 7419767 IJGLFZRAXHMGGO-UHFFFAOYSA-N 371.372 1.983 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccncc2)cs1 13792624 ACOZGEFIURBKHM-ZDUSSCGKSA-N 366.468 1.958 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@H](NS(=O)(=O)C1CC1)CC2 2055738822 SQXQAYHPZKQNLK-SNVBAGLBSA-N 365.411 1.137 0 40 FDAB COCCNC(=O)C(=O)NCc1ccc(C(=O)c2cccs2)s1 206678017 XIWYEMFUGZMJBB-UHFFFAOYSA-N 352.437 1.419 0 40 FDAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1 40073541 DLLDTAZKKBZECK-UHFFFAOYSA-N 357.413 1.318 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COCC(F)(F)F)cc1 32873750 FXXWNTHTDYLYTF-GFCCVEGCSA-N 351.346 1.682 0 40 FDAB CC1(C)NC(=O)N(CCN2CCC(C(=O)Nc3ccccc3O)CC2)C1=O 32804020 RMDRCBIQXFQKCU-UHFFFAOYSA-N 374.441 1.373 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CC1 2620064 IBAYAJYNGKWLPF-UHFFFAOYSA-N 352.390 1.905 0 40 FDAB Cc1ccc(-n2nnnc2S[C@H](C)c2nc(-c3nc[nH]n3)no2)cc1 78899238 XRMBXYQWGFRHHY-SECBINFHSA-N 355.387 1.992 0 40 FDAB CN(Cc1ccc(O)cc1)C(=O)Cn1cc(Br)ccc1=O 52963695 NCEPALSQMGIFTP-UHFFFAOYSA-N 351.200 1.975 0 40 FDAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 6324805 HDXQZZCJOIWHTE-GFCCVEGCSA-N 358.460 1.775 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1S(=O)(=O)N(C)C 7978307 JTRRECHAXXSJKX-HNNXBMFYSA-N 371.459 1.045 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(F)cc1 12227159 SNJBROLHNMFKSG-UHFFFAOYSA-N 360.389 1.625 0 40 FDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc(OC)c1OC 35326500 OMAMLFIQFDEOSH-CQSZACIVSA-N 357.366 1.814 0 40 FDAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1COc2ccccc2O1 57475968 VSWGBXHFIULQQA-HNNXBMFYSA-N 361.423 1.754 0 40 FDAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 57669788 FZHYNYOZDRKSDL-HNNXBMFYSA-N 360.437 1.854 0 40 FDAB CCOc1ccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 26957827 DBETVXVRLSINPR-INIZCTEOSA-N 356.488 1.720 0 40 FDAB Cc1noc2ncc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc12 27267044 QIHVWXCMMJSHQU-UHFFFAOYSA-N 352.354 1.115 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(-n2cncn2)nc1 48279791 GRCXNZLHFZRPAD-UHFFFAOYSA-N 351.366 1.292 0 40 FDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCn1cccn1 48291074 UVVRLMPVUPFMKN-INIZCTEOSA-N 357.393 1.307 0 40 FDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Cl)nc1Cl 58110470 NQOVUJPOYWSULT-UHFFFAOYSA-N 354.259 1.924 0 40 FDAB C[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCOCC1 58194007 HCXUARMSCAGUTE-AWEZNQCLSA-N 359.426 1.181 0 40 FDAB CCC(=O)NCC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 58226660 LAPMYNYKQHOAMW-UHFFFAOYSA-N 356.220 1.338 0 40 FDAB CCN1CCC(N(C2CC2)S(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 58209342 JFTFQETUFNMABH-UHFFFAOYSA-N 365.499 1.684 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 10578390 NUQPIKWYHIFMSA-IBGZPJMESA-N 366.377 1.683 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1cscn1)C2=O 48356051 KNNHWDAEDYVSFD-MEDUHNTESA-N 350.444 1.602 0 40 FDAB COCCN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1=O 91834894 DOBHMKHZYDHFKW-UHFFFAOYSA-N 373.497 1.258 0 40 FDAB COc1ccccc1C(=O)COC(=O)Cn1nc(O)c2ccccc2c1=O 4278097 SQVWZYNMPWAEJX-UHFFFAOYSA-N 368.345 1.537 0 40 FDAB CCCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(=O)n(C)c(=O)n(C)c21 13864893 KHYBKMFSLNFYIC-BETUJISGSA-N 360.458 1.567 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1csc(NCc2ccccc2)n1 6373429 QNXAEWKWYGTVOW-UHFFFAOYSA-N 360.395 1.464 0 40 FDAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCN(c3ncccn3)CC2)cc1 14182674 KDEPRSSKMJUURO-AWEZNQCLSA-N 353.426 1.828 0 40 FDAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(CC)c1=O 20757928 OHHPTXDFJFVILC-MRXNPFEDSA-N 354.410 1.711 0 40 FDAB biogenic O=C(CSc1nnc(CN2CCCC2=O)o1)Nc1ccc(Cl)cn1 6582821 XEIZGLCIGRMJFK-UHFFFAOYSA-N 367.818 1.971 0 40 FDAB Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)cc(=O)oc2c1 6658926 NERMHQDJUAPPCD-UHFFFAOYSA-N 372.421 1.917 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CNC(C)(C)C 24969337 VBEYJMXABGSJBT-UHFFFAOYSA-N 353.488 1.604 0 40 FDAB CC(=O)Nc1ccc(C(=O)Cn2cnc(I)n2)cc1 4815200 WSLWDBOPWMKHSH-UHFFFAOYSA-N 370.150 1.724 0 40 FDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1 5938451 UZTYWYJXNZGYPB-ZDUSSCGKSA-N 350.382 1.728 0 40 FDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ccccc2)CC1 7069378 LEYZNOGTHMWBPN-IBGZPJMESA-N 362.437 1.806 0 40 FDAB C[C@H](C(=O)N1CCCC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 7244182 IFNJVWLASXNRCI-MRXNPFEDSA-N 374.485 1.404 0 40 FDAB Cn1cc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2CO)cn1 71285690 XVZBVNZOCAMERQ-UHFFFAOYSA-N 368.393 1.292 0 40 FDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 7699903 XWBRLIDJSULYCZ-NSHDSACASA-N 352.416 1.566 0 40 FDAB Cc1cccc(OCCNC(=O)Cn2nnc(-c3cccc(F)c3)n2)c1 7735351 XPAJLMCBWSFFON-UHFFFAOYSA-N 355.373 1.983 0 40 FDAB CN1CCN(c2ccccc2NC(=O)c2ccccc2-n2cnnn2)CC1 7719024 JMLYZZVKHZQUFL-UHFFFAOYSA-N 363.425 1.666 0 40 FDAB CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2I)C1 72343547 DXKSKAJMWXFOJD-JTQLQIEISA-N 374.226 1.873 0 40 FDAB CCN1CCN(C(=O)[C@@]2(CCOC)CCN(C(=O)OC(C)(C)C)C2)CC1 75106029 ZQDBRFMBPLYVCN-LJQANCHMSA-N 369.506 1.814 0 40 FDAB CC(C)n1cc(NC(=O)C(=O)NCC[S@](=O)Cc2ccccc2)cn1 75105786 KNAQJSPARZJSNR-RUZDIDTESA-N 362.455 1.468 0 40 FDAB CC(C)(C)[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)C(N)=O 89694542 PCOPBVVQVZFQRV-IUODEOHRSA-N 350.438 1.851 0 40 FDAB CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 89984946 OULLXLKXHLQRLO-GOEBONIOSA-N 366.531 1.979 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)NC3CCCC3)C[C@H]21 306134096 NDGPJPDCNYSFRJ-OCCSQVGLSA-N 361.446 1.057 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(Cl)c1 408636163 MDSKDDLQXSAQNT-UHFFFAOYSA-N 364.851 1.168 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 20902212 SJFBVGCCSKGGKG-UHFFFAOYSA-N 351.472 1.267 0 40 FDAB CN1CCC[C@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn12 306124851 CAVGSWCMTBVITA-INIZCTEOSA-N 357.458 1.163 0 40 FDAB COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 524734366 WUCDIRHVDOWINE-CYBMUJFWSA-N 357.362 1.687 0 40 FDAB Cc1ccccc1[C@@H]1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CCS1 219268824 HVIYUOORXMAJJB-INIZCTEOSA-N 373.478 1.942 0 40 FDAB Nc1ncnc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1Cl 567767168 DIMHNOKOAZKZNH-NHYWBVRUSA-N 358.833 2.271 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2cccc(F)c2)c1 40266634 KMKXXFKOAOOOBT-UHFFFAOYSA-N 354.345 1.365 0 40 FDAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225538192 HGYZQUHRTSBGOQ-NSHDSACASA-N 354.428 1.816 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)nc(N2CCCC2)n1 226746918 IYJXRVYLMMXKTG-CQSZACIVSA-N 357.458 1.516 0 40 FDAB Cc1ccc(O[C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)nn1 225424906 CZTRGFSQQIJSGL-ZDUSSCGKSA-N 354.366 1.373 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 89212873 IKFPBBWPRNOQQM-CQSZACIVSA-N 368.455 1.959 0 40 FDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)NCc3ccccc3)CCN2C1=O 85436127 ILAXZARKWQUWJT-MRXNPFEDSA-N 368.441 1.252 0 40 FDAB biogenic,in-vitro CCc1cccc(CC)c1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 192889061 LIISXONABUSDHD-UHFFFAOYSA-N 351.428 1.010 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccnc1)C2 96230429 RNCJLGXZEMUBBW-FQEVSTJZSA-N 350.422 1.645 0 40 FDAB COc1ccc(-c2[nH]nc(C)c2CC(=O)NCCCN2CCOCC2)cc1 95476015 MOOOQTZVIWSRAY-UHFFFAOYSA-N 372.469 1.775 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccccn1)C2 96060777 NPNNBZACARLEAY-HNNXBMFYSA-N 350.426 1.921 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@H](Oc1ncccc1F)CO2 96107041 OKSRIOSXSDKYRH-AWEZNQCLSA-N 358.373 1.853 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2noc3c2CCCC3)C1 583618834 QEKZBDMIQIQHLM-DOMZBBRYSA-N 354.414 1.953 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccc(F)cc21 245806999 QDLYFPLWXFMRKI-ZBFHGGJFSA-N 354.447 1.438 0 40 FDAB Cn1cnc2c1[C@H](C(=O)N1CCOCC1)CN(Cc1ccccc1F)C2 248061198 UPMJXCAYFUKRKE-OAHLLOKOSA-N 358.417 1.517 0 40 FDAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCCN4CCOCC4)[C@H]32)Oc2ccccc21 248012371 WEHSMKAKMIUGAX-CCMRYFRJSA-N 370.449 1.495 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCc1ccccc1Cl)C2 247915935 ZLLFMNMRGAIQDA-AWEZNQCLSA-N 371.886 1.935 0 40 FDAB Cn1c(=O)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)c2ccccc21 257248508 JDYVHHANUQQZIY-NYYTWLDWSA-N 354.454 1.472 0 40 FDAB CCn1nccc1-c1cncc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257275612 NQCLRZYPXSKXEM-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H]1c1nccc(CN(C)C)n1 257222045 DRQSHEIVGVGSEP-QGZVFWFLSA-N 356.474 1.876 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257337487 YSZYVRQADYWING-IRXDYDNUSA-N 354.472 1.633 0 40 FDAB COC(=O)CCCCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O 590368311 XVRGCMOOXWATMS-NEPJUHHUSA-N 351.403 1.600 0 40 FDAB Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)Nc1cc(C2CC2)[nH]n1 616334593 ZFLNQXGDOXLKRM-UHFFFAOYSA-N 350.382 1.922 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)O)[C@@H]4CCC[C@@H]43)cc2C1=O 630276574 WMHHVUBXKJYDMR-WHOFXGATSA-N 356.378 1.628 0 40 FDAB CCn1nc(C)c(C(=O)N2C[C@H](NC(=O)c3occc3C)C(C)(C)C2)n1 1775989183 GELASUYWUYXFOT-ZDUSSCGKSA-N 359.430 1.788 0 40 FDAB COC[C@]1(CC(=O)NCCn2nc(C)c(C)c2C)CCCN1C(C)=O 585280789 PBGJIKHZXZLWGU-GOSISDBHSA-N 350.463 1.342 0 40 FDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585276987 FGEOWDAPMDNZDB-FQEVSTJZSA-N 353.422 1.800 0 40 FDAB CCN1C(=O)CO[C@H](C(=O)NCc2ccncc2OC)[C@H]1c1ccccc1 584480066 QDUULXOCIUPZAV-MOPGFXCFSA-N 369.421 1.695 0 40 FDAB CCOC[C@@H]1CN(C(=O)c2ncn(C)n2)Cc2cnn(CC3CCCC3)c21 585110839 NCDAEEVEOYBKJJ-INIZCTEOSA-N 372.473 1.978 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 5230037 AQWUIVTXGDBZIR-JTQLQIEISA-N 369.805 1.237 0 40 FDAB CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440166 WGJHQYFFGWZSBX-MWDXBVQZSA-N 358.373 1.366 0 40 FDAB biogenic,in-vitro CC(C)n1c(=O)oc2cc(S(=O)(=O)NCc3nccn3C)ccc21 12117043 OKUQLEVZDRRKDZ-UHFFFAOYSA-N 350.400 1.387 0 40 FDAB COc1ccccc1CCC(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 12323810 QXTCTWKFJKMFQS-UHFFFAOYSA-N 366.425 1.643 0 40 FDAB Cc1nc2cc(N[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2o1 12606448 KGIKJUPEWFGBLF-GXFFZTMASA-N 351.428 1.582 0 40 FDAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)O2 19218791 ZINOEHFYYWKAKR-IBGZPJMESA-N 357.410 1.105 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cn1 19238821 REJAWSKWJIVTJE-CQSZACIVSA-N 362.393 1.560 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526767 KNVMWZZOFDJBPK-KHSSZTOVSA-N 364.829 1.927 0 40 FDAB CN1CCc2nc(C3CCN(C(=O)COC[C@H]4CCCO4)CC3)ncc2C1 19590676 JKCMPFLBILFJOT-QGZVFWFLSA-N 374.485 1.366 0 40 FDAB COCC(=O)N1Cc2cn(C)nc2[C@H](C(=O)Nc2ccccc2OC)C1 19701592 SFVUVEJEPZPYTB-CYBMUJFWSA-N 358.398 1.140 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 6391061 HZHVFHOFYQQAKM-OVCLIPMQSA-N 368.393 1.863 0 40 FDAB C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 15919773 VHRSUDSXCMQTMA-TXQDGASVSA-N 374.477 1.804 0 40 FDAB in-vitro CCc1ncnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1F 1888913575 LOACIHMCKIDCDY-UHFFFAOYSA-N 373.436 1.131 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4nccc(N(C)C)n4)CC3)nn2)n1 1889139442 HIDAFZPNPXBHIC-UHFFFAOYSA-N 365.445 1.153 0 40 FDAB NC(=O)CCS(=O)(=O)CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 25401293 VWJQKGXIAAHYQY-LJQANCHMSA-N 372.490 1.924 0 40 FDAB CCn1cc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 2037840435 MQTHGGCQXPAIBL-LJQANCHMSA-N 354.410 1.551 0 40 FDAB Cc1cnc(C)c(OC2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 2086949984 BWBZESSHKIDCLG-HUUCEWRRSA-N 362.474 1.572 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4nncn4C)CC3)nc(C)n2)n1 2087143866 QLGCBANCIHDWLN-UHFFFAOYSA-N 367.461 1.038 0 40 FDAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 4338476 URYJPMAKINUDFV-UHFFFAOYSA-N 352.412 1.284 0 40 FDAB Cc1ncnc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1C 2055796022 LSFJBLMFCXKCBB-INIZCTEOSA-N 372.469 1.488 0 40 FDAB CN(C)C(=O)COCC[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ccnn21 2055751344 MWPDFDKDRYOVAY-CQSZACIVSA-N 370.400 1.307 0 40 FDAB O=S1(=O)N=C(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)c2ccccc21 2086864870 OQJDYDHJTXBNGJ-CHWSQXEVSA-N 372.425 1.738 0 40 FDAB Cc1ccsc1S(=O)(=O)N1CC[C@]2(COCc3cncnc32)C1 503872301 LYNODVNMSQEVKO-OAHLLOKOSA-N 351.453 1.709 0 40 FDAB COc1ccc(CNC(=O)NCc2cn(-c3ccncc3)nn2)cc1OC 575616812 NBCGHVXMXBCGIY-UHFFFAOYSA-N 368.397 1.679 0 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Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)no1 21592046 VAHWMIPKZWRUNF-LBPRGKRZSA-N 360.370 1.399 0 40 FDAB COc1cc(CNCCNc2cc(C)nc3ncnn23)cc(OC)c1OC 76020653 OTAOTYNXJXLCGP-UHFFFAOYSA-N 372.429 1.660 0 40 FDAB O[C@@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@@H]1CCCO1 79076643 VNOPHRLKZSECQJ-ROUUACIJSA-N 354.454 1.806 0 40 FDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 7046699 XJVNOCIYXFATOS-UHFFFAOYSA-N 372.421 1.799 0 40 FDAB O=C(NCc1ccccc1Cl)C1=CC=CN2CCS(=O)(=O)N=C12 7973641 KOULKMZZIWNICW-UHFFFAOYSA-N 351.815 1.454 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2nccs2)CC1 22384811 MOTGYDGGBZTWLZ-CYBMUJFWSA-N 360.439 1.815 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)nc2)NC(=O)N[C@@H]1C 22860360 DHAKIVHNOOVOSR-MRVPVSSYSA-N 353.762 1.410 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1I 100201932 AGMFLMVSSRHZDV-BJDJZHNGSA-N 367.142 1.734 0 40 FDAB CC[C@H](C)c1ccccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC 25027291 IQAQRGHBSMWZPQ-DZGCQCFKSA-N 362.426 1.469 0 40 FDAB CCNC(=O)CN(CC)C(=O)NCCOc1cccc(Br)c1 56488863 UJGHTLSYTOOGSF-UHFFFAOYSA-N 372.263 1.996 0 40 FDAB O=C(Nc1ccncc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 17585466 CDHQWJZVEZGPMT-UHFFFAOYSA-N 370.434 1.881 0 40 FDAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)COc2ccc3c(c2)OCO3)C1=O 58174458 UINLMWKTHDYRDF-WCQYABFASA-N 350.371 1.122 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 58282504 YUZUBIINZBGBGW-KRWDZBQOSA-N 367.515 1.467 0 40 FDAB COc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 58217857 FHPZOSSFPQUJKJ-UHFFFAOYSA-N 368.333 1.217 0 40 FDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CNC(C)=O)s1 58210622 MRSKUAWLHMCZMK-UHFFFAOYSA-N 356.473 1.329 0 40 FDAB C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 12684102 FPSGQTXRBCCLBB-AWEZNQCLSA-N 365.389 1.817 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 3371951 LKCYSGAUTVXVNT-MRXNPFEDSA-N 365.341 1.955 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCc1ccccc1 36391760 YRWZCIHACJIDMR-UHFFFAOYSA-N 351.450 1.803 0 40 FDAB CC(C)[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)NC(N)=O 11379315 DZCKZJKSXXIMDP-GFCCVEGCSA-N 366.491 1.915 0 40 FDAB O=CN1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 11866172 MQHRCWZFGVAEKO-UHFFFAOYSA-N 350.216 1.704 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(Nc2ccccc2OC)s1 3494447 PGQGQXSFPNPJPL-UHFFFAOYSA-N 353.429 1.838 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)C[C@H](C)O1 3463603 GTODZIATXSOLIM-KBPBESRZSA-N 351.447 1.657 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)nc2n1 13007314 MHCMOKQBLWADSW-UHFFFAOYSA-N 360.324 1.388 0 40 FDAB C[C@H]1C[C@@H](C)CN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)C1 13371289 MLBFLRPNYQDQOP-FSDCSDTHSA-N 371.524 1.604 0 40 FDAB C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 3978058 JYGXADMDTFJGBT-DLQWHNFBSA-N 362.466 1.782 0 40 FDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 4158679 UXEDYYWVDVLBNH-DDHJBXDOSA-N 355.460 1.943 0 40 FDAB COC(=O)[C@H](C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 13986102 QSPRPPUZJYAPRS-VIFPVBQESA-N 366.443 1.108 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 14185572 NSBXXHICALXSDK-CJNGLKHVSA-N 354.472 1.920 0 40 FDAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N3CCNC3=O)c12 14158801 YNZOBVDMADIJGC-UHFFFAOYSA-N 370.321 1.500 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O 14242452 UYEOSZIWVIALIX-FQEVSTJZSA-N 370.453 1.051 0 40 FDAB O=S1(=O)C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H](O)C1 111939393 SYTWEPCHTCMSTC-CVEARBPZSA-N 367.448 1.040 0 40 FDAB NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9189896 QBENOUDXVJEUEV-IBGZPJMESA-N 362.389 1.315 0 40 FDAB CCCNC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 8233832 YZCVLKPOBOXDMD-UHFFFAOYSA-N 357.204 1.248 0 40 FDAB CC(C)[C@@H](OC(=O)CCCc1nc(-c2ccccc2)no1)C(=O)NC(N)=O 17278144 LGUNGRWMWIGKNA-OAHLLOKOSA-N 374.397 1.822 0 40 FDAB Cc1cccc(C)c1N(CC(=O)NCCCn1ccnc1)S(C)(=O)=O 9526067 DNQDPQWBVORWEJ-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB COc1cc(C(=O)NCC(=O)NC2=NCCS2)ccc1OC(F)F 9607142 NMROGSRORFUSLG-UHFFFAOYSA-N 359.354 1.245 0 40 FDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC[C@H](CN2CCOCC2)C1 72297573 XEOINXPOIRIDGX-GOSISDBHSA-N 371.481 1.537 0 40 FDAB Cc1cccc(NC(=O)CN(C)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 89686646 LHBGGEWYFKRUOS-HNNXBMFYSA-N 353.488 1.598 0 40 FDAB Cc1ccoc1C(=O)O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 30967345 RNYGNNJUQBBZKE-SNVBAGLBSA-N 352.368 1.419 0 40 FDAB O=S(=O)(NCCc1ncc2ccccn12)c1ccc2c(c1)OCCO2 31773177 UNGSYJORKPNEFC-UHFFFAOYSA-N 359.407 1.627 0 40 FDAB CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 1531952245 KBYHUUUCEVJBCY-GOSISDBHSA-N 361.405 1.883 0 40 FDAB COC[C@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217668957 ROAHYKJCCRBPMO-WDEREUQCSA-N 360.432 1.145 0 40 FDAB O=C(O)C[C@@H]1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 559337190 ABPBBDFZJWWWJB-ZETCQYMHSA-N 360.775 1.260 0 40 FDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2ccc3c(c2)OCO3)C1(CO)CO 218158917 ZNKDZULSNXGWAO-DLBZAZTESA-N 362.403 1.326 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(O)(c2ccccn2)CC1 72346650 HYNVUUIRMVCHCO-UHFFFAOYSA-N 350.382 1.181 0 40 FDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(-c2ccco2)on1 70640985 HQHYXTWRKDUOIW-UHFFFAOYSA-N 366.337 1.107 0 40 FDAB CN1CCN(CC(=O)N(Cc2ccccc2)CC2CCOCC2)CC1=O 329691681 ZTVKZEFDXUZNKN-UHFFFAOYSA-N 359.470 1.216 0 40 FDAB Cc1ccn2ncc(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)c2n1 531821870 IUPMRBMFVYQIDO-UHFFFAOYSA-N 356.407 1.298 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)Cc3cccs3)cc2)c1=O 75163205 PVEFQLVXNVPLGY-UHFFFAOYSA-N 359.411 1.318 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 41778447 YPKRHRJXIUWWED-UHFFFAOYSA-N 352.843 1.977 0 40 FDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 229930013 NLDPJKAUWOWACW-ZFRZLUBXSA-N 350.802 1.537 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccnc1 225853696 KNLOBZNAJQLPAW-UHFFFAOYSA-N 363.439 1.912 0 40 FDAB Cc1ccc(N2CCC3(CC2)CCN(S(=O)(=O)C2CC2)CC3)nn1 96158492 WWEFJBAPJUEYTF-UHFFFAOYSA-N 350.488 1.960 0 40 FDAB CN(C)C(=O)CN1C[C@@H]2CN([C@@H]3CCOC3)CC[C@]2(c2ccccc2)C1 96083273 TVENHBIRKTWDRL-SFHLNBCPSA-N 357.498 1.439 0 40 FDAB Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 95477520 MWWCYWNEHSCLFP-ZDUSSCGKSA-N 351.403 1.370 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CCCN(c3ccc(OC)nn3)C2)s1 95476749 ANPVKSGWVYCKHV-JTQLQIEISA-N 364.431 1.338 0 40 FDAB O=C(Cc1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2NC3)CC1 333317294 TUAIAZZSECYXOZ-UWWQBHOKSA-N 359.445 1.427 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96048971 DARULEUWTBCNQS-UHFFFAOYSA-N 359.470 1.702 0 40 FDAB O=C(OCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O 245240330 PDZQDZYDKNSOJM-SYQHCUMBSA-N 370.398 1.855 0 40 FDAB Cn1ccc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)n1 248151562 UJSDHTKWPUPEKD-AWEZNQCLSA-N 351.472 1.563 0 40 FDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257268293 MLALQXSTJQTWIJ-OAHLLOKOSA-N 355.398 1.323 0 40 FDAB CCCn1cc(-c2cncc(C[C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257297087 RFTNMYJRACQYIC-CQSZACIVSA-N 363.487 1.964 0 40 FDAB Cn1cc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCC2)cn1 257230215 GBIKQNNBCKLVRA-YRXWBPOGSA-N 370.453 1.195 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)n1 257316977 VHUVALDMLDGWIN-JQHSSLGASA-N 353.422 1.868 0 40 FDAB COc1cc2c(cc1OC)CCN(C(=O)c1cnc(N(C)C)cn1)CC2 679444424 RPOKYKIIRKYULD-UHFFFAOYSA-N 356.426 1.801 0 40 FDAB C=CC(=O)N1CCO[C@H](C(=O)N2CCN(c3cccc4[nH]ccc34)CC2)C1 1775986641 HNPLUTXFHTWYCF-SFHVURJKSA-N 368.437 1.230 0 40 FDAB CO[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1C 96105152 ZRLKELQAUHDTCA-GOSISDBHSA-N 370.405 1.844 0 40 FDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(C(=O)c1ccccc1F)C2 585112705 UAFIPSLVDQFHKJ-NSHDSACASA-N 361.373 1.777 0 40 FDAB CC1(C)C[C@]2(CCCN2C(=O)Cn2cc(Cl)cn2)[C@H](CC(N)=O)O1 585287891 GTLNUKMMUJDILB-BLLLJJGKSA-N 354.838 1.341 0 40 FDAB Cc1cccc(CC(=O)N2CCO[C@](CO)(Cc3cccc(F)c3)C2)n1 585277997 OLGFPEYUXFSZDZ-HXUWFJFHSA-N 358.413 1.904 0 40 FDAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(C)cn3)[C@H]2O)cc1 952844969 XEIXLDSRMLXYKW-OVYGPGRDSA-N 374.397 1.048 0 40 FDAB biogenic,in-vitro Cc1cc(N[C@]23CC[C@H]2CN(C(=O)c2cnc(C)s2)C3)nc(CO)n1 1615057164 FDISIVHHWZSWBT-SJCJKPOMSA-N 359.455 1.759 0 40 FDAB COCCNC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 8104755 KPWHWEYADHYGHV-MDZDMXLPSA-N 364.423 1.534 0 40 FDAB CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085973 QIZZIWSJXBYETA-YJYMSZOUSA-N 358.442 1.464 0 40 FDAB C[C@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 12144561 YCRYPCNXPRXTJG-AWEZNQCLSA-N 368.437 1.295 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2cc3ncccc3cn2)CC1 12224261 RWOXWXTVEVILIO-OAHLLOKOSA-N 359.451 1.771 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 19210561 IUOCSPUKEORDBZ-NARAOEGZSA-N 368.389 1.970 0 40 FDAB O=C(c1cn[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344389 RHSJWKJLFLYKEB-JTQLQIEISA-N 356.411 1.636 0 40 FDAB CCn1c2ccccc2n2c(=O)n(CC(=O)Nc3ccc(OC)nc3)nc12 19524280 NODYHUKEBIPADL-UHFFFAOYSA-N 366.381 1.513 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)C1CC1 1889099137 TULDJOVOGPSBDS-VIFPVBQESA-N 350.366 1.546 0 40 FDAB COc1cc(CN2CCC[C@H](O)C2)ccc1OCCN1CCOCC1 1138532280 HHRRYTCSBNWFJO-KRWDZBQOSA-N 350.459 1.363 0 40 FDAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCc1ccco1 34876805 UARMGXFTCNHFJC-UHFFFAOYSA-N 360.389 1.567 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846830 ZCAWVSFHVVQFJX-FQEVSTJZSA-N 366.421 1.905 0 40 FDAB O=C(NC[C@@]1(OCCO)CCSC1)c1ccc(C(F)(F)F)nc1 1565519988 BBPVEASVADPRII-ZDUSSCGKSA-N 350.362 1.715 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc21 4100388 WAUPONHQWMOTRG-UHFFFAOYSA-N 351.410 1.937 0 40 FDAB CC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9569933 KJWMMIUGMNMKGA-UHFFFAOYSA-N 371.478 1.440 0 40 FDAB O=C(NCc1cccnc1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9708743 YRGAVAXMHFTXIO-UHFFFAOYSA-N 364.405 1.562 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccco1 9822840 QLJZZBVVMCNBRZ-UHFFFAOYSA-N 363.377 1.664 0 40 FDAB O=C(N1CCCC1)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055796178 LEFJONQHGDDVFE-IBGZPJMESA-N 373.457 1.003 0 40 FDAB COCC(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3c(C)noc3C)C2)C1 2055806585 OGXXGRIDTMUOOC-MRXNPFEDSA-N 357.401 1.998 0 40 FDAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCNCC2)cc1 19360207 ULJUCAJAAGVESL-UHFFFAOYSA-N 350.488 1.445 0 40 FDAB COCCN1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 23127570 XAXJBLHTGLQJMY-UHFFFAOYSA-N 370.471 1.095 0 40 FDAB Cc1nccn1-c1cccc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 2298063158 RECPBHXKZBWNPO-UHFFFAOYSA-N 364.453 1.597 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCCS(=O)(=O)Cc1ccccc1 40090074 IGQLPKPVZQKDFG-CYBMUJFWSA-N 364.423 1.129 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCCOc1ccc2c(c1)OCO2 40121779 PBFOGJDQELDZLT-UHFFFAOYSA-N 369.439 1.658 0 40 FDAB COc1c2c(cc3c1[C@H](c1c(O)[nH]c(=S)[nH]c1=O)N(C)CC3)OCO2 20412316 HUHLUSPAYUWBMW-LLVKDONJSA-N 363.395 1.453 0 40 FDAB biogenic COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3nccs3)CC2=O)cc1 20733867 KLRBDOCIQOFGRQ-LLVKDONJSA-N 374.422 1.260 0 40 FDAB CC(C)(CNS(=O)(=O)CCn1cnc2ccccc21)N1CCOCC1 32847981 CIKIKHTYIXNSCR-UHFFFAOYSA-N 366.487 1.067 0 40 FDAB Cc1cccc(C)c1N1C(=O)C[C@H](SC(C)(C)[C@@H](N)C(=O)O)C1=O 257886 PGNBRVSLALBTIU-FZMZJTMJSA-N 350.440 1.859 0 40 FDAB CC(=O)Oc1cc2c(cc1[C@H](NC(N)=O)c1ccc3c(c1)OCO3)OCO2 1587168 PQPYAULYKAWJHL-QGZVFWFLSA-N 372.333 1.827 0 40 FDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)NS(=O)(=O)N1CCCCC1 78989443 SYWXQXCURAWJEL-UHFFFAOYSA-N 366.418 1.401 0 40 FDAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1cccnc1 12296880 MRPBKNXVSXWLRT-UHFFFAOYSA-N 363.421 1.947 0 40 FDAB biogenic O=C(Nc1cccc(F)c1)NC1CCN(CC(=O)N2CCOCC2)CC1 4908503 USXBFGFHEXYCMV-UHFFFAOYSA-N 364.421 1.270 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCn2cc(Br)c(C)n2)CC1 2804812 MECMTVLAZZRRPV-UHFFFAOYSA-N 373.251 1.645 0 40 FDAB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1NC(=O)c1ccccc1 8334744 JWABVDLSVOPFNL-UHFFFAOYSA-N 352.350 1.238 0 40 FDAB O=C(NCc1ccncc1)c1cc(Br)ccc1-n1cnnn1 12322761 LVHSNXAWQFYTQR-UHFFFAOYSA-N 359.187 1.750 0 40 FDAB Cn1nc(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 2922869 MZUVFLIDDBCWJJ-ZDUSSCGKSA-N 365.389 1.432 0 40 FDAB NS(=O)(=O)CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 103951611 BYVDOBKQEHYPBG-UHFFFAOYSA-N 365.480 1.951 0 40 FDAB O=C(CCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCc1ccco1 103508092 KGSRZTCMIKWQGQ-GJZGRUSLSA-N 369.421 1.484 0 40 FDAB NC(=O)[C@H]1CC(C(=O)NCCOc2ccccc2)=NN1c1ccccc1 25645934 HJTWFKZWGDAGKU-QGZVFWFLSA-N 352.394 1.302 0 40 FDAB CNC(=O)CN1CCC(NCc2ccc(Br)cc2F)CC1 35273415 YZSFQCZFIUAZSJ-UHFFFAOYSA-N 358.255 1.888 0 40 FDAB CC1(NC(=O)/C=C\C(=O)O)CCC(C(C)(C)NC(=O)/C=C\C(=O)O)CC1 104389706 CDUVZYADGAPCSX-PEPZGXQESA-N 366.414 1.228 0 40 FDAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22228061 RQVPWEGVAYVXDL-UHFFFAOYSA-N 360.501 1.343 0 40 FDAB CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 118929146 CEOUYEBWMNZTMV-URZBOBFWSA-N 366.498 1.797 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccc(F)cc1 50115376 TVAUXWOUBYHXQU-UHFFFAOYSA-N 358.377 1.086 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)CN2C(=O)NC(CC)(CC)C2=O)c1 58202684 UOLNREQHJJHIES-UHFFFAOYSA-N 374.485 1.865 0 40 FDAB Cn1cc(S(=O)(=O)N2CCN(Cc3cccc(F)c3F)CC2)cn1 22276622 OLFGRSBHSAYAIL-UHFFFAOYSA-N 356.398 1.205 0 40 FDAB CCOc1ccc(OCC)c(NCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 28651401 ZPWBGWQMILKKAM-LBPRGKRZSA-N 356.444 1.199 0 40 FDAB CCc1ccc([C@@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12761854 BYKBDZAXMIJJTG-CQSZACIVSA-N 351.410 1.869 0 40 FDAB OCCN1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 48343342 CWRKZVRFLILYPB-UHFFFAOYSA-N 373.276 1.671 0 40 FDAB CN(CCOc1ccccc1)C(=O)c1ccccc1CN1C(=O)CNC1=O 11238727 ACCBIZLCMBZEAD-UHFFFAOYSA-N 367.405 1.889 0 40 FDAB CN(C)C(=O)COC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3451313 VWTYHDCTGPQLHC-UHFFFAOYSA-N 365.367 1.189 0 40 FDAB COC(=O)c1cc(NCC(=O)Nc2ccc(C(N)=O)cc2)c(F)cc1F 12947760 NRLDMJYQBWTWFT-UHFFFAOYSA-N 363.320 1.901 0 40 FDAB Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3609705 QJVNTBKXIMRBGQ-UHFFFAOYSA-N 374.462 1.907 0 40 FDAB Cn1c(=O)c2c(nc(OCc3ccco3)n2Cc2ccccc2)n(C)c1=O 13509972 XRFBLWWMRPCQSJ-UHFFFAOYSA-N 366.377 1.654 0 40 FDAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 13725153 NZENMJPRAKLLFF-GFCCVEGCSA-N 366.464 1.665 0 40 FDAB COc1cc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@H]2O)cc(OC)c1O 9047788 WCEZOVIEJRGHEA-BLLLJJGKSA-N 365.407 1.346 0 40 FDAB COCc1nnc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)s1 71285655 NQVIURJDVQWENI-UHFFFAOYSA-N 368.850 1.983 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(C(=O)NCCO)c(Cl)c1 71286882 QTLHJGRMSNJLFE-VXGBXAGGSA-N 354.790 1.357 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 6560545 QWTDWHBQQQDEPW-UHFFFAOYSA-N 365.411 1.708 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2nc3ccccc3[nH]2)n(C)c1=O 6657730 MZLWVAAUYXYJSE-UHFFFAOYSA-N 356.411 1.102 0 40 FDAB Cc1c(C(=O)NCC(=O)NCC(C)C)nnn1-c1ccc2ncccc2c1 66768550 RUMVBCBPLBSXFM-UHFFFAOYSA-N 366.425 1.626 0 40 FDAB COCCN(CCOC)C(=O)Cn1cnc2ccc(Cl)cc2c1=O 6848967 LETKYWQCNPJJOI-UHFFFAOYSA-N 353.806 1.171 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCO2)c1 6934052 DKZVXGCQSKEKGM-LBPRGKRZSA-N 358.435 1.765 0 40 FDAB COC[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 83897917 JYYATRNIPVWYDP-GJZGRUSLSA-N 362.451 1.213 0 40 FDAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1N 7203970 HJUGYBQRNIJXOC-MRVPVSSYSA-N 372.219 1.811 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ncccn2)CC1 7735570 SMWQOHMNOSSRQX-CQSZACIVSA-N 369.400 1.317 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 78926092 PQDLOTZTSIUQSK-HUUCEWRRSA-N 372.469 1.584 0 40 FDAB O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1cc(=O)n2ccsc2n1 8155970 GVBLSFTWOJTRMN-ZDUSSCGKSA-N 371.374 1.589 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@H](O)c1cccc(F)c1 69106323 XQPZEOATDUKPHZ-INIZCTEOSA-N 355.373 1.939 0 40 FDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 8324151 PZGLQSGHPJYXND-QGZVFWFLSA-N 371.437 1.277 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 69565211 DFEVASPLJSAWDI-ZDUSSCGKSA-N 363.462 1.845 0 40 FDAB CCN(CCO)C(=O)CCn1cnc2ccc(Br)cc2c1=O 97177287 AZYMUEPIHXNSMD-UHFFFAOYSA-N 368.231 1.390 0 40 FDAB COc1ncccc1NC(=O)N1CCN(C2(C(N)=O)CCCCC2)CC1 72305806 SCTQSVQLDCCAEM-UHFFFAOYSA-N 361.446 1.428 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnn(C)c3)N=C2O)cc1 95477415 KKQVWWWWNCWNSE-CQSZACIVSA-N 357.370 1.082 0 40 FDAB CNC(=O)C1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 73648124 UHRDQQCNOOMRHL-QFBILLFUSA-N 372.513 1.224 0 40 FDAB CC[C@@H](CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)Oc1cccc(F)c1 95992619 DAFSWLCHITYUFZ-GXTWGEPZSA-N 372.418 1.338 0 40 FDAB Cc1cc(CC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)no1 95999355 LWQODAUJNQLNPZ-UHFFFAOYSA-N 361.423 1.129 0 40 FDAB COC(=O)c1cc(NC(=O)N2CCO[C@H](CN(C)C)C2)c(F)cc1F 89314220 CHELDHRDVLCBOH-SNVBAGLBSA-N 357.357 1.546 0 40 FDAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1 89368743 MQWYIPHHYLNZJS-WCQYABFASA-N 355.460 1.018 0 40 FDAB C[C@H](C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1)N1CCc2ccccc2C1 89980772 ASZXZXJMOOKIEJ-XYPHTWIQSA-N 351.468 1.942 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(C(CO)CO)C2)n1 72363676 CGYJAMNCULZUCE-CQSZACIVSA-N 358.446 1.160 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 546254619 GNLYVZUATKBSOF-JTQLQIEISA-N 360.457 1.372 0 40 FDAB O=C(NC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1)c1ccnnc1 306129702 IKKWBVJMMIKGHJ-HNNXBMFYSA-N 363.425 1.130 0 40 FDAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339055 ZBWNBYKUNFBPOB-NKSTXHLWSA-N 357.454 1.619 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@H](C)c2ccccc2)nc(=O)[nH]c1C 31618343 VBLIIEVGFGDKQN-SNVBAGLBSA-N 361.423 1.834 0 40 FDAB Cc1nnc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)o1 39580404 QFYPAYLEIPBRPW-UHFFFAOYSA-N 359.791 1.639 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCCC[C@@H]1C 36416286 JUGPPZMJVOASHL-HEHGZKQESA-N 372.421 1.909 0 40 FDAB COc1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cn1 72339910 ZGNPHNNXIZXBKW-UHFFFAOYSA-N 350.382 1.601 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cnns3)C2)cc1 188210463 TVXKEKOLLMHKGE-GFCCVEGCSA-N 366.468 1.886 0 40 FDAB C[C@@H]1CN(C(=O)N=c2nc(Cc3ccc(F)cc3)[nH]o2)CC[S@](=O)C1 563103165 KWRLGXIKHHVJNW-NDHGSNPTSA-N 366.418 1.454 0 40 FDAB COc1ccccc1[C@@H](NC(=O)Cn1ccccc1=O)c1nccn1C 48289021 VCEBQFULVGDAPO-GOSISDBHSA-N 352.394 1.496 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1F 224223402 UMIQYFQFIYAUTK-UHFFFAOYSA-N 370.381 1.070 0 40 FDAB O=C(Nc1ccc(F)cc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436107 ZTFXFWKENJWNIS-MRXNPFEDSA-N 362.405 1.958 0 40 FDAB biogenic,in-vitro Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C(=O)CC2CC2)C1 96244607 GVDJYVBZBVZNGU-FQEVSTJZSA-N 372.469 1.422 0 40 FDAB OC[C@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)C[C@H]1CN1CCOCC1 91255002 PUTPGWRZHKWFIK-QZTJIDSGSA-N 374.460 1.588 0 40 FDAB COCCN1CCOCC12CCN(C(=O)c1nn(C)c3ccccc13)CC2 96226164 DEHGVYUXKXHETF-UHFFFAOYSA-N 372.469 1.527 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106133 ZSRDPNRNNJHISJ-MRXNPFEDSA-N 354.410 1.962 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)sc1C 247557538 XWAKJMMJUZZJPF-ZDUSSCGKSA-N 368.484 1.308 0 40 FDAB Cn1cc(CN2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)cn1 248152279 ULVRDAXFQAJPOO-OAHLLOKOSA-N 357.458 1.170 0 40 FDAB CCOC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](OCC)[C@@H]1OCC 253618110 RFYAWWPXHYUJQA-NFOTXUCKSA-N 369.397 1.292 0 40 FDAB Cc1ccn(CCC(=O)N(C)[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257322423 WFXLCAZUFNFJQI-ZHALLVOQSA-N 358.442 1.796 0 40 FDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)Cc3cccnc3)CCO2)ccn1 257220681 DLSAJTNNHKFBIB-GOSISDBHSA-N 354.454 1.945 0 40 FDAB Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 257244077 IJTIPHVOMCRQIK-FPAYPSAMSA-N 371.437 1.758 0 40 FDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1ccccc1F 257249889 JKDOPCUGXUVPGU-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC[C@H](C)C2)n1 260737519 LNPWCYCWQXWCGO-ZDUSSCGKSA-N 364.519 1.856 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 285176373 UIYTYEYEYCCKQX-UHFFFAOYSA-N 365.411 1.656 0 40 FDAB CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)Cc2cncc3ccccc23)n[nH]1 1648840739 GUEYKUSTWBCNOY-ZBFHGGJFSA-N 351.410 1.792 0 40 FDAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cnc(C)[nH]1)CC2 630160939 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COc1ccc(CCNC(=O)N2CCN(CCn3ccnc3)CC2)cc1 75158033 LDEVYNDDGLHPGS-UHFFFAOYSA-N 357.458 1.462 0 40 FDAB Cn1nc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)ccc1=O 77177532 CVKOOBPTCLPRRJ-UHFFFAOYSA-N 371.422 1.912 0 40 FDAB O=C(NC[C@H]1COCc2c(-c3ccc4c(c3)OCO4)nnn2C1)C1CC1 96199414 AERYTKWKIPWIEO-LLVKDONJSA-N 356.382 1.346 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)C2CCC2)C1 96244604 HSMVCSLLSIUNRG-HXUWFJFHSA-N 372.469 1.422 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@]2(COCCN(Cc3cc[nH]n3)C2)C1 96228853 RKZIVDUJGLHIEO-HXUWFJFHSA-N 369.469 1.488 0 40 FDAB CCn1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)cn1 249694972 QAJARDZMMVAMHN-INIZCTEOSA-N 364.515 1.602 0 40 FDAB Cc1ncsc1C(=O)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257289566 PZFPQSQXSPMRIP-CYBMUJFWSA-N 357.439 1.826 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(O)cc1 257274974 NNMBVIOIQWTGNE-IAGOWNOFSA-N 366.483 1.740 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)ncn1 257290085 QBMYCZJUURRTBQ-QGZVFWFLSA-N 353.426 1.926 0 40 FDAB CNc1cc(C)nc([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)c1 257220797 DMENFAVXMGIVGB-KRWDZBQOSA-N 356.426 1.584 0 40 FDAB COCCOc1cc(C(=O)N[C@@H](C(=O)OC)c2ccc(F)cc2)ccn1 253471823 FWRDKOPEJIOIFG-MRXNPFEDSA-N 362.357 1.890 0 40 FDAB COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CCc3cnccn3)CC2)c1 634508766 LODJXRSHRMCGFJ-VQTJNVASSA-N 366.465 1.976 0 40 FDAB Cc1nsc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)n1 1615589315 GOVYVMCHJCLPHO-KGLIPLIRSA-N 351.476 1.729 0 40 FDAB COc1cccc(C[C@H](N)C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 638287280 DMUCQEJFACMVIP-KRWDZBQOSA-N 370.453 1.744 0 40 FDAB O=C(N=c1ccn(CCN2CCOCC2)[nH]1)N1CCC(c2ccon2)CC1 606444947 MUXLTTNBPVXMPQ-UHFFFAOYSA-N 374.445 1.037 0 40 FDAB CO[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)s1 96104730 IOTGFEAPVCFDIX-CYBMUJFWSA-N 360.501 1.532 0 40 FDAB O=C(c1ccncn1)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093108 CMATWGFYDCKHTA-MRXNPFEDSA-N 350.369 1.587 0 40 FDAB Cn1nc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)c2c1CCC2 585275256 BEXSYAVPFMXOLS-LJQANCHMSA-N 359.401 1.704 0 40 FDAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cnn(CC(N)=O)c1 47295089 FEXSEGHIAUGCLV-UHFFFAOYSA-N 369.381 1.805 0 40 FDAB COc1ccc(C)cc1CC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 685942297 HTIQUXYZECFVQX-ARFHVFGLSA-N 358.442 1.346 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(OC)cc2)NC(=O)N[C@@H]1C 6083257 CKJXBBBGHXIKGU-OFFHKIPUSA-N 374.393 1.770 0 40 FDAB Cc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccc(F)cc1 13639238 NUUADLXVEGFDIE-UHFFFAOYSA-N 368.416 1.935 0 40 FDAB CCOc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 9910189 OEVIXSVEYACCBR-OAHLLOKOSA-N 368.455 1.987 0 40 FDAB O=S(=O)(C1CC1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843903 WUJBNKGAZDLYSC-GHMZBOCLSA-N 361.389 1.961 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888875737 VCROZPHMSQDKND-VXGBXAGGSA-N 354.457 1.505 0 40 FDAB Cc1nc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)nc(O)c1F 1888890470 YDQDWOHJPCOMRN-UHFFFAOYSA-N 368.372 1.535 0 40 FDAB Cc1cc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)ncn1 1889138789 YHLMYOOMEQXRKR-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1cncc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037978410 VDIRIVPILHZZSS-FQEVSTJZSA-N 366.421 1.681 0 40 FDAB Cn1ccnc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984508 CUOLTFSTBNSCFG-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB COc1cc(OC)nc(N2CCC3(CC2)OC(=O)N(CC(F)F)C3=O)n1 2087095724 RYLQGYHJHAPDDT-UHFFFAOYSA-N 372.328 1.077 0 40 FDAB O=C(NCCc1ccccc1)c1ncn2c1CN(C(=O)[C@@H]1C[C@H]1F)CCC2 1565550457 DGPQDPVCGSVYIZ-HZPDHXFCSA-N 370.428 1.946 0 40 FDAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)NC1CCCC1 22766453 UXMUSTKVHDAPOR-OAHLLOKOSA-N 351.472 1.296 0 40 FDAB Cn1c(CN2CCN(S(=O)(=O)c3cccnc3)CC2)nc2ccccc21 38670670 KNNDHGQNSOJXBO-UHFFFAOYSA-N 371.466 1.475 0 40 FDAB Cc1ccn2c(=O)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)nc2c1 4503896 MMTCEEPNIPPSGQ-UHFFFAOYSA-N 369.406 1.228 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1 46466613 XUGFNCDEGZFXST-CYBMUJFWSA-N 357.435 1.772 0 40 FDAB O=C(OCC(=O)N1CCOCC1)c1ccccc1C(=O)c1ccccc1 2626003 SPKVNPFDWWKKRL-UHFFFAOYSA-N 353.374 1.933 0 40 FDAB CNC(=O)[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 78619879 VAEHGGMKUSLEGT-SNVBAGLBSA-N 350.362 1.943 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O 12291673 SSICLJLOGUOCHS-LBPRGKRZSA-N 353.378 1.799 0 40 FDAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)nn12 41815154 RRBMCEGXOLMLGS-SNVBAGLBSA-N 357.399 1.133 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCN1C(=O)c3ccccc3C1=O)CS2 6944143 YLLZFRBBJIOYSA-PXAZEXFGSA-N 360.391 1.237 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N(CCc1ccccc1)Cc1ccccc1 23010845 RTHGOKBYULWODD-UHFFFAOYSA-N 363.417 1.808 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 23078570 KPLWOMMUDDEPFR-DYVFJYSZSA-N 365.430 1.677 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 23127081 JCIVSGZEKZWZIZ-UHFFFAOYSA-N 357.414 1.926 0 40 FDAB C[C@H]1CCCCN1C(=O)CCn1c(=O)oc2cc(S(N)(=O)=O)ccc21 23192195 GQZQKKFGUDNARN-NSHDSACASA-N 367.427 1.033 0 40 FDAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCN(c2cnccn2)CC1 47790340 HVLIJUOPKFDZLF-UHFFFAOYSA-N 368.426 1.744 0 40 FDAB CC(C)[C@H](C)NC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134278 XTURRABQEZUYLG-LBPRGKRZSA-N 362.455 1.781 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cccnc2S)c1 25128828 RGSDCIHCKHYZFV-UHFFFAOYSA-N 365.480 1.695 0 40 FDAB CC(C)NC(=O)CN(C)C[C@H](O)COc1cccc(Br)c1 25234984 WVLDYCVITRLHCG-ZDUSSCGKSA-N 359.264 1.645 0 40 FDAB CC(C)OCCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 25712239 DITPGROILQICOF-UHFFFAOYSA-N 359.426 1.867 0 40 FDAB COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@@H]2CC(NC(=O)C2CC2)C3)cc1 100426011 BVZDFQCZDXLEFX-HUUCEWRRSA-N 364.467 1.906 0 40 FDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 111888141 JADAURZBQGCQFB-NEXKZYMUSA-N 352.394 1.770 0 40 FDAB O=C(CSc1ncccn1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 3350914 FYVBVRFDDKKNLG-CQSZACIVSA-N 369.512 1.917 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)COCc3ccccc3Cl)CC2)N1 45037477 IOWOVQIPNIUGKA-UHFFFAOYSA-N 351.790 1.057 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(F)c1 12775733 OMQOSQVSWJLGIH-NSHDSACASA-N 367.402 1.238 0 40 FDAB Cc1cccc(COCC[C@@H]2CCOC23CN(C(=O)c2cc[nH]n2)C3)n1 306123881 AZKXOQKUAKQOGC-OAHLLOKOSA-N 356.426 1.951 0 40 FDAB Cc1cc(NC(=O)COC(=O)C2CCN(C(=O)c3ccco3)CC2)n(C)n1 11086853 INMRNJDESUKUSB-UHFFFAOYSA-N 374.397 1.356 0 40 FDAB COc1ccc(OC)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 11428295 DWFWWWRHIIHKDL-UHFFFAOYSA-N 357.370 1.176 0 40 FDAB COC(=O)c1ccc(OCC(=O)N2CCO[C@H](C)C2)c(Br)c1 29019869 HIURLSIORLLWCJ-SNVBAGLBSA-N 372.215 1.862 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccnc2Cl)CC1 29361063 KTRUOGHAQYWKPD-CQSZACIVSA-N 364.877 1.894 0 40 FDAB CCN(CCCNC(=O)c1[nH]c2c(c1C)C(=O)CCC2)S(C)(=O)=O 59887524 MGOROQWBWNJCTR-UHFFFAOYSA-N 355.460 1.244 0 40 FDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(CC(N)=O)cs2)C1=O 12878198 JRVJRKBZDKSPAZ-SNVBAGLBSA-N 374.422 1.314 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1cnn(C(C)C)c1)CC2 306143278 XXQLVVVYZVPZIG-OAHLLOKOSA-N 374.489 1.542 0 40 FDAB O=C(O)CC1(CNC(=O)Cn2ncc3ccccc3c2=O)CCCCC1 49545947 NLATZIRWERNMNM-UHFFFAOYSA-N 357.410 1.938 0 40 FDAB COCCN1CCc2c(cccc2-n2nnc(C(=O)NC(C)C)c2C)C1 69979642 XQNUDFBMJCOFRW-UHFFFAOYSA-N 357.458 1.718 0 40 FDAB Cn1nc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)ccc1=O 22284009 OKNONDHIZMQUCF-UHFFFAOYSA-N 350.382 1.576 0 40 FDAB COc1ccc(CCNC(=O)CCC(=O)NC[C@@H]2CCCO2)cc1OC 4616471 OHXROEUEUVPJNU-HNNXBMFYSA-N 364.442 1.438 0 40 FDAB CC(C)(C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965104 IAXCBRTXVCJXLW-UHFFFAOYSA-N 370.471 1.919 0 40 FDAB COc1ccc(CC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1OC 15703890 RKHSAYVKFZTTHL-LLVKDONJSA-N 366.414 1.802 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1cccc(NC(=O)c2cccs2)c1 7498584 AITUHGJCDGEAJH-UHFFFAOYSA-N 373.390 1.709 0 40 FDAB O=C(NCc1ccccc1N1CCOCC1)c1nc2ccccc2c(=O)[nH]1 68368768 UHMSNBIMKNYBAC-UHFFFAOYSA-N 364.405 1.690 0 40 FDAB Cc1nn(CC(=O)Nc2cccnc2Cl)c(C)c1S(=O)(=O)N(C)C 7777633 BRILKZIPJFXNAF-UHFFFAOYSA-N 371.850 1.437 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCN(C(=O)C2CC2)CC1 7987692 DMNPDNYMVCTZRL-UHFFFAOYSA-N 373.844 1.924 0 40 FDAB COc1cccc(N2CC[C@H](CNC(=O)NCc3ccc(C(N)=O)o3)C2)c1 83208578 MCXATIKMHZZVEB-CYBMUJFWSA-N 372.425 1.713 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cccnc2)c2cc(Cl)ccc21 9306440 SPEAIZNFKXZSAE-HNNXBMFYSA-N 372.812 1.575 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)NCc3ccco3)CC2)c1 9591371 FJNLBAUWONUZPH-UHFFFAOYSA-N 363.439 1.804 0 40 FDAB COc1ccc(CNC(=O)CN2CCC([C@H](O)c3nccn3C)CC2)cc1 89756803 HUTRXUOZYVPTFQ-IBGZPJMESA-N 372.469 1.491 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 306135494 OSSISFQMNNZEJA-IBGZPJMESA-N 370.384 1.373 0 40 FDAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1 219427563 RTXUWJDIGABYIL-UHFFFAOYSA-N 372.446 1.970 0 40 FDAB Cc1cnc(N)c(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)c1 72373412 AJFYMFYKJGRNLS-HNNXBMFYSA-N 372.469 1.650 0 40 FDAB CCOC(=O)C[C@H](c1cnn(CC)c1C)c1oc(CO)cc(=O)c1O 72400327 OISQCDOUSVGDKI-GFCCVEGCSA-N 350.371 1.448 0 40 FDAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 36634003 GKPSHCBTUKQSCW-INIZCTEOSA-N 359.426 1.709 0 40 FDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217703914 ASTWVICYOUJSMG-UHFFFAOYSA-N 364.423 1.956 0 40 FDAB COC(=O)C[C@H](c1sc(N(C)C)nc1C)c1c(O)cc(C)[nH]c1=O 72403669 DMFCQLMVOGYJRQ-JTQLQIEISA-N 351.428 1.915 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)Cc2ccccc2C(=O)O)CC1 72406377 ILQXGAGXUGUIBG-UHFFFAOYSA-N 357.410 1.877 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC[C@]1(O)CCCc2occc21 1565523375 MJQZJQOBSQNWKR-OAHLLOKOSA-N 371.436 1.630 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 45865961 ICBPKFCFFADWDX-UHFFFAOYSA-N 371.436 1.908 0 40 FDAB O=C(O)[C@@H](c1ccc(Br)cc1F)N1CCS(=O)CC1 566358418 VNERMINBPDUESY-LLVKDONJSA-N 350.209 1.778 0 40 FDAB CN(CC(=O)NCc1ccnc(N2CCCC2)n1)C(=O)c1ccccc1F 224204747 CLJZORHGLVPEDK-UHFFFAOYSA-N 371.416 1.604 0 40 FDAB CN(C(=O)c1cccc(N2CCCCS2(=O)=O)c1)[C@@H]1CCCC[C@H]1O 224390148 JSMZYDSXXIFTLR-IAGOWNOFSA-N 366.483 1.992 0 40 FDAB Cc1ccc(C(=O)N2CCN(C=O)CC2)c(I)c1 225023403 ZFCHBDHWRMJAAD-UHFFFAOYSA-N 358.179 1.514 0 40 FDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2cnccn2)n1 96056645 JVEWCTXVBTUSKR-IAGOWNOFSA-N 351.410 1.586 0 40 FDAB COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)cc1 96056566 SIUABPWCZURLQC-WOJBJXKFSA-N 373.497 1.593 0 40 FDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@@H]21)c1cnccn1 96056220 WJDHCTMLXQKWFK-YQQAZPJKSA-N 358.467 1.805 0 40 FDAB CCC1(CC)[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)cn2)C[C@H]1OC 332431447 JBTGDOYAJDZEFE-UONOGXRCSA-N 355.460 1.395 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)Nc2ccccc2)C[C@]2(CNC(=O)C2)C1 96143321 CUJDYTCTHACBTK-LJQANCHMSA-N 358.442 1.525 0 40 FDAB CCN(CC)CCCNC(=O)C(=O)N[C@H]1C(=O)N(C(C)C)c2ccccc21 97957219 SYBUVJNOZMTUEN-QGZVFWFLSA-N 374.485 1.447 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2F)cc1OC 243316945 LKZVLJNVMZBNJT-UHFFFAOYSA-N 368.386 1.760 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)s1 247830082 KUMBYRWLNQAAEL-CYBMUJFWSA-N 368.484 1.389 0 40 FDAB CCS(=O)(=O)CCN1CC2(C[C@@H](OCc3cnccc3C)CCO2)C1 247842041 QJWMJUUZWHFXDY-KRWDZBQOSA-N 368.499 1.575 0 40 FDAB Cc1ccc(OCCN2CCOCC2)c(-n2cc(C(=O)O)ccc2=O)c1 257214276 CLJCWURXBLBQMR-UHFFFAOYSA-N 358.394 1.555 0 40 FDAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 253401496 NBEUPOJAIOMIFK-INIZCTEOSA-N 355.479 1.366 0 40 FDAB biogenic,in-vitro CCc1nccn1CC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257234849 GVIYIZWSNOJMOE-INIZCTEOSA-N 356.417 1.140 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)C1 253602762 RLBNPKFZAZVPAZ-CVEARBPZSA-N 357.502 1.560 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cnn(C)c3)C2)cc1 257208666 BNCVHJIMGHSNHK-LJQANCHMSA-N 358.442 1.138 0 40 FDAB Cc1ncc(CNC(=O)CCc2cnn(C)c2C)c([C@@H]2CCCN2C)n1 257232721 GMCBQMVMJLMHSZ-KRWDZBQOSA-N 356.474 1.843 0 40 FDAB O=C(O)c1cccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 262213330 QBQPWRZYCUXCJJ-INIZCTEOSA-N 360.410 1.025 0 40 FDAB CC(C)n1nnnc1CN1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962843 NWGUXZGOTVSJAN-UHFFFAOYSA-N 362.478 1.248 0 40 FDAB COc1ncc(Cl)c(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)n1 1775956969 IWIQXLMCYVGRID-KOLCDFICSA-N 350.810 1.643 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1cnn(C)c1-c1ccccc1)N(C)C2 644467845 AFNXRZTVVGIWTO-OAHLLOKOSA-N 351.414 1.440 0 40 FDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1 659204401 PXIRVSVYPQSEAZ-STQMWFEESA-N 364.446 1.926 0 40 FDAB C[C@@]1(C(F)F)CN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCO1 664642010 JXVMRHMMQRJGTN-DYVFJYSZSA-N 368.384 1.643 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3ccncc3C)C2)c1 585278474 SYLHMWFFQZIXAC-FQEVSTJZSA-N 356.422 1.981 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c2C2CCC2)C1 685943504 XQPKOGNZZLHKCM-SQWLQELKSA-N 357.458 1.706 0 40 FDAB COc1ccnc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)n1 77936894 JFSLUCLYSFWGPB-UHFFFAOYSA-N 352.402 1.096 0 40 FDAB C[C@H](O)CN1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 85436915 DXLPZWYNHCSUPH-SFHVURJKSA-N 359.514 1.466 0 40 FDAB C=CCOc1c(Br)cc(C=NNc2nnn[nH]2)cc1OC 5743737 GTMLHWBRMDCZRG-UHFFFAOYSA-N 353.180 1.982 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cscn3)CC1)CNC2=O 12226073 HRFSBFJRIULSMB-UHFFFAOYSA-N 373.434 1.949 0 40 FDAB CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 12255858 XLJWBGBSUKVDIO-UHFFFAOYSA-N 369.472 1.480 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)cc1 13565358 PSSUHXRLIGRCSH-KRWDZBQOSA-N 366.483 1.691 0 40 FDAB Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(N)(=O)=O 14138835 RXGALNQYTFPPQX-UHFFFAOYSA-N 359.451 1.639 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCc2ccccc2C1 14185094 IYNJICGEWCVMKY-UHFFFAOYSA-N 371.462 1.281 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccn3)C2)c2cccnc21 19021855 NWCIEPFLXPEVFB-MRXNPFEDSA-N 364.453 1.952 0 40 FDAB CCN(CC)CCNCCCS(=O)(=O)c1ccc(NC(C)=O)cc1 19366398 MRXKCFCDIPOBBM-UHFFFAOYSA-N 355.504 1.740 0 40 FDAB CCN1CCN(CCNC(=O)c2cn([C@H](C)c3ccccc3F)nn2)CC1 19528204 UPQDLFOPXBYXMV-OAHLLOKOSA-N 374.464 1.394 0 40 FDAB C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc(=O)n(C)c(=O)[nH]1 19714471 PVVODRYCHRDKTD-SNVBAGLBSA-N 358.373 1.065 0 40 FDAB O=C(NC1=NS(=O)(=O)c2ccccc21)c1cn2cc(Cl)ccc2n1 19716768 RLCYKINJMUMHDW-UHFFFAOYSA-N 360.782 1.867 0 40 FDAB Cn1nc2c(c1C(=O)N1CCC[C@@]1(C)C(=O)N1CCOCC1)CCCC2 19746554 IUDGMBNPGQQIJB-IBGZPJMESA-N 360.458 1.152 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OCC(F)(F)F)o1)CC2 654887565 KTDILXGQGIKSNR-SECBINFHSA-N 374.319 1.703 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)nc5ccccn45)C[C@H]3C2)n1 1888879195 JOBCDHOIKTWAPS-IYBDPMFKSA-N 362.437 1.950 0 40 FDAB CN=c1[nH]c([C@H]2CCCN(C(=O)COc3ccccc3)C2)cc2ccnn12 2037838552 NGVDSTRKCUURFW-HNNXBMFYSA-N 365.437 1.978 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)c4csnn4)CC[C@@H]3C2)nc1 1565553673 HPYMBLGJQHTYGG-UKRRQHHQSA-N 374.470 1.258 0 40 FDAB COC1(CC(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)CCC1 1565546552 GTIJXNRNDJVZKS-ARFHVFGLSA-N 350.459 1.432 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565551877 UGZSDDLYOLLKCL-XJKSGUPXSA-N 355.398 1.319 0 40 FDAB Cc1csc(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)c1 1565556569 NUYUTEAYYDYTOL-UHFFFAOYSA-N 372.450 1.885 0 40 FDAB COc1cccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1OC 10250787 MSJVGPJZCOLNPZ-UHFFFAOYSA-N 371.397 1.749 0 40 FDAB CCn1cc(CN2CCn3c(COCc4cccnc4)nnc3C2)cn1 2055718102 MHMDSCFTFVGBKR-UHFFFAOYSA-N 353.430 1.622 0 40 FDAB Cn1cc(C(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)cn1 1775971491 QCWQMAHJUFJFIO-UHFFFAOYSA-N 366.400 1.979 0 40 FDAB CCn1cc(C(=O)N2CCNCC2)c2nn(-c3ccccc3)c(=O)c-2c1 26422123 DKKOWBICMDHPNU-UHFFFAOYSA-N 351.410 1.204 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 43941823 GYBBLYFLGHTEGR-UHFFFAOYSA-N 351.378 1.037 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3cscc3C(N)=O)CC2=O)cc1 618257043 PVJZBDLUISRPAI-SNVBAGLBSA-N 359.407 1.847 0 40 FDAB CN(C)c1ccnc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1 2298180933 KDXCFINRZGVZHA-UHFFFAOYSA-N 355.490 1.477 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)cc1 40070191 JGOAHWFVPTWXJF-UHFFFAOYSA-N 352.354 1.039 0 40 FDAB O=c1c(Cl)c(N2CCN(CCO)CC2)cnn1-c1ccc(Cl)cc1 20030777 FRTHLHXDIMWFET-UHFFFAOYSA-N 369.252 1.654 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc2c(c1)OCCO2 40162217 LSVJJNYTDGOMIW-WYRIXSBYSA-N 373.409 1.356 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NCc3cccc(F)c3)n2)no1 40288446 YCMFJRYZFFATQU-UHFFFAOYSA-N 359.317 1.616 0 40 FDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c2c1 20722599 GYZOGQJTTWCPQG-SFHVURJKSA-N 374.441 1.008 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)CC(=O)NCCOC)c1C 21672701 MFYGDOSTJZSELS-ZDUSSCGKSA-N 367.446 1.074 0 40 FDAB C[C@@]1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)NC(=O)NC1=O 46406099 GTKREPXKDUISRR-INIZCTEOSA-N 363.370 1.681 0 40 FDAB O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCCCC1 12030073 AKYDXCGGESEOOC-HNNXBMFYSA-N 371.480 1.274 0 40 FDAB COC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1O 1098281 UJPQMJQNHFRCBK-UHFFFAOYSA-N 354.340 1.308 0 40 FDAB OC(C[n+]1cccc(Br)c1)C[n+]1cccc(Br)c1 1595142 UKEPJUCMOUPSGA-UHFFFAOYSA-N 374.076 1.848 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCCc3ccncc3)CC2=O)c(OC)c1 79474790 KIHYXLLVTUVTJX-HNNXBMFYSA-N 369.421 1.811 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc(-n2ccnc2)nc1 33042906 URYDLNDKFHNDAC-UHFFFAOYSA-N 350.304 1.799 0 40 FDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967780 DROAIXTZIKFBFA-UHFFFAOYSA-N 372.425 1.677 0 40 FDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCC2)c(=O)[nH]c1=O 6221651 MKPPOWQLDUZACG-UHFFFAOYSA-N 360.414 1.845 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)/C=C/c2ccccc2)c(=O)[nH]c1=O 6549645 OMAKIHCDXVOAHH-MDZDMXLPSA-N 372.425 1.222 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(N)=O)sc1C 6679958 HDUBTBDHRBXTER-UHFFFAOYSA-N 354.409 1.743 0 40 FDAB CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1 608336 JTAGHJPZEDNHHA-UHFFFAOYSA-N 371.437 1.834 0 40 FDAB in-man C[C@H]1CN(C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 22926900 VCFHPAWZCQLQSY-BETUJISGSA-N 365.455 1.141 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)NC2CCC3(CC2)OCCO3)cc1 47672819 KKJNOECLOQHJLD-UHFFFAOYSA-N 362.426 1.617 0 40 FDAB COc1ccc(CNC2=NN/C(=c3\ccc4c(c3)OC(=O)N=4)CS2)cc1 104981070 XRLMHWFOPMZTTO-NTCAYCPXSA-N 368.418 1.333 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CC1 24599325 ICNIBFWOTQXHIQ-INIZCTEOSA-N 371.462 1.943 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 100117468 PZCSHKFGVWACGW-PWAOUJBFSA-N 368.481 1.748 0 40 FDAB O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1-n1cncn1 25004286 IDXZCMQITZZQPI-UHFFFAOYSA-N 350.382 1.705 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(=O)[nH]c2ccccc12 25290371 RVNMEXHPVHXCIJ-UHFFFAOYSA-N 364.405 1.690 0 40 FDAB CCN(C(=O)[C@@H](C)Sc1ncc2ccccn12)[C@@H]1CCS(=O)(=O)C1 26591829 HTDYOJLNBHHKHC-TZMCWYRMSA-N 367.496 1.851 0 40 FDAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)NC(=O)NC1CC1 58178355 ZIPAESBITCBVRH-CYBMUJFWSA-N 354.451 1.354 0 40 FDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCC3(N(C)C)CCCC3)cc2)o1 44903464 OMQLRNBSPZKHHM-UHFFFAOYSA-N 371.441 1.974 0 40 FDAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1cccnc1-n1cncn1 48234618 IROPVMKHODZBGQ-UHFFFAOYSA-N 359.393 1.707 0 40 FDAB CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 3351175 AABNPINSHNGBSO-UHFFFAOYSA-N 368.455 1.463 0 40 FDAB COc1ccc(CNC[C@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)cc1 107283831 TYRFKYZWFZGFDO-ACDBMABISA-N 358.438 1.761 0 40 FDAB biogenic,in-vitro CN1CCN(C2=NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)CC1 12972917 ZUDZFQBCDHSUNT-CYBMUJFWSA-N 350.419 1.400 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O 13027840 HAOTYFREEMGRGZ-VIFPVBQESA-N 364.217 1.695 0 40 FDAB Cc1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)s1 8771127 YDUJZMHXMWLNGR-UHFFFAOYSA-N 354.457 1.127 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)O)C2)cc(C)c1C 13260674 DAPROGFBBDJPLE-LBPRGKRZSA-N 354.428 1.148 0 40 FDAB COCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9238431 OESNDIUNJMLBGJ-STQMWFEESA-N 367.862 1.762 0 40 FDAB CCOC(=O)c1sc2ncn(CCN3CCOCC3)c(=O)c2c1C 19794330 GTVFUZJBZIBHFC-UHFFFAOYSA-N 351.428 1.275 0 40 FDAB O=C(COC(=O)CNC(=O)c1cccs1)NC(=O)NC1CCCCC1 7563676 RIJBLCKJKOCNFN-UHFFFAOYSA-N 367.427 1.180 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc(C)nc3onc(C)c23)NC(=O)NC1 9316101 HVSSJWJFZKNUHI-UHFFFAOYSA-N 374.353 1.126 0 40 FDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 7955758 BXZPXQLNIUYROH-UHFFFAOYSA-N 356.474 1.837 0 40 FDAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 69203365 ZDBLQLSIPPQBIK-SKDRFNHKSA-N 366.361 1.225 0 40 FDAB CC(=O)N[C@H](CC(=O)NCc1nnc2ccccn12)c1ccc(C)cc1 18110441 DVZBKHBAAMZLOJ-MRXNPFEDSA-N 351.410 1.921 0 40 FDAB NC(=O)C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C1CCOCC1 89857564 OKCHNBGLBSLQSO-MRXNPFEDSA-N 366.425 1.898 0 40 FDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C[C@H](O)c2ccco2)CC1 27197639 PMXGOKFZMAOZJR-KSSFIOAISA-N 358.394 1.297 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)O 548534201 KXYSREPCCRYYHN-LBPRGKRZSA-N 352.387 1.751 0 40 FDAB O=C(C[C@H]1CN(Cc2cccnc2)Cc2ccnn21)NCc1ccccn1 306143011 XQRACDIIUNQPRX-IBGZPJMESA-N 362.437 1.937 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 408624510 QOIURWBFLPHWNA-UHFFFAOYSA-N 352.456 1.765 0 40 FDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709403 SFBLEVGFIUMMDG-AWEZNQCLSA-N 371.393 1.443 0 40 FDAB CC(C)N(C)c1cccc(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1 517950875 ZUPWIDYENJRVTJ-SFHVURJKSA-N 359.430 1.689 0 40 FDAB CCC[C@@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704727 RXSRNMZTCQPAGV-OLZOCXBDSA-N 370.471 1.917 0 40 FDAB Cc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1N1CCCC1=O 30859515 OFIXWWRCTWSREC-UHFFFAOYSA-N 362.455 1.687 0 40 FDAB CN(C)S(=O)(=O)CCNC(=O)CC1(Cn2cccc2)CCCCC1 524733429 RARIODGBKQXMJG-UHFFFAOYSA-N 355.504 1.836 0 40 FDAB C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCC2)n1Cc1ccccc1 555181312 ZQJIHYQBKIMZGG-CQSZACIVSA-N 363.487 1.927 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)/N=c2\sccn2C)C(C)C)cc1 32971809 JNXNATYUEVTPEM-UPTRSRDDSA-N 367.496 1.825 0 40 FDAB CC(=O)c1nnc(-c2cccs2)n1Nc1ccc(S(N)(=O)=O)cc1 36649157 NQEDFVNXMFKPOB-UHFFFAOYSA-N 363.424 1.732 0 40 FDAB CCOC(=O)C1=C(C)N=c2s/c(=C/N(C)C)c(=O)n2[C@H]1c1ccccc1 32666279 PHBSGDITBQHQQR-UKYUDJEDSA-N 371.462 1.269 0 40 FDAB COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 72382510 DAFRRGQALPCBRG-CQSZACIVSA-N 356.430 1.898 0 40 FDAB COc1ccc(C[C@H](CO)CNC(=O)c2cccc3oc(O)nc23)cc1O 568198217 WOIUEFIKYBWBPJ-LBPRGKRZSA-N 372.377 1.829 0 40 FDAB CCOCCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223423150 XMFOSVYPKFLYHX-UHFFFAOYSA-N 362.879 1.644 0 40 FDAB C[C@@H]1CCc2nc(NC(=O)C3CCN(S(N)(=O)=O)CC3)sc2C1 44917436 AHHFSZZCQWUZPY-SECBINFHSA-N 358.489 1.122 0 40 FDAB CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CCCC4)cn23)C1 96156268 BHCTWCQKEHAYHU-CYBMUJFWSA-N 356.430 1.436 0 40 FDAB Cn1nc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c2c1CCCC2 583124305 QQSCNJOXRJICOZ-CYBMUJFWSA-N 359.455 1.999 0 40 FDAB O=C(N[C@@H]1C[C@H]1c1ccco1)N1CCC[C@H](N2CCCS2(=O)=O)C1 579327988 SVFQODXUUXGCKB-BFHYXJOUSA-N 353.444 1.345 0 40 FDAB Cc1noc(CN2CCN(C(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CC2)n1 580393015 VYNQFCDEDFIYPK-MHDGFBEUSA-N 374.363 1.378 0 40 FDAB CN(C)C(=O)N1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96215556 GOFPENOVVAJYAC-QGZVFWFLSA-N 369.462 1.984 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2ccco2)C[C@@]2(CC(=O)N(C)C2)C1 97952770 MVESXQVNZJZBMY-SFHVURJKSA-N 362.430 1.004 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106120 HONVQEIPBSEFTO-HNNXBMFYSA-N 352.456 1.824 0 40 FDAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3cc(C)on3)C2)C1 96228496 AHEOFIPOVAIDGA-QAPCUYQASA-N 351.447 1.573 0 40 FDAB Cc1cccn2c(=O)c(C(=O)NCc3ccnc(N4CCCC4)c3)cnc12 90998146 XKDGFIWQTIESQV-UHFFFAOYSA-N 363.421 1.928 0 40 FDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccncc2F)CC3)cn1 96199810 BTFKONFVCMAEEQ-CQSZACIVSA-N 357.389 1.233 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230750 YENWSLMVIZNSGK-XTDOFWJNSA-N 360.410 1.138 0 40 FDAB CN(C)c1cc(N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)ncn1 248137363 RZKSAZFHLPGZIC-MRXNPFEDSA-N 355.442 1.892 0 40 FDAB O=C(c1cccnc1O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257281474 OPIVNBNDKVJIEL-KRWDZBQOSA-N 369.412 1.876 0 40 FDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)CCc2cccnc2)n1 257218456 DDFGXQKLGCRPRQ-INIZCTEOSA-N 355.442 1.779 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCc1ccc([C@H](O)c2cccs2)s1 85562197 IUSJOOSMGTVQSZ-MRXNPFEDSA-N 364.448 1.657 0 40 FDAB CCc1nccn1CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257298173 RKMDTPRKRKTMEZ-GPMSIDNRSA-N 358.442 1.708 0 40 FDAB Cc1ccccc1CC(=O)N1CC[C@@H](n2ccc(O)nc2=O)[C@](C)(O)C1 257310843 UGWPUCPKTVAKMJ-DNVCBOLYSA-N 357.410 1.024 0 40 FDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 262437372 PFKRSESHBCDJMC-SECBINFHSA-N 368.333 1.508 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)N=c3cc[nH]cc3F)CC(=O)N2C2CC2)cnn1C 621931511 ZBZLVDKNFYUKRK-SJCJKPOMSA-N 357.389 1.375 0 40 FDAB O=C(Cn1cc(C(=O)O)cn1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 630235348 BRQYRPKJCBROOF-BXUZGUMPSA-N 369.299 1.632 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2ccc(C)cc2-c2cnn(C)c2)C1 643757513 NXELEIMFKVGOSJ-HXUWFJFHSA-N 356.470 1.859 0 40 FDAB Cn1cc(-c2noc(CNC(=O)c3cncc(Br)c3)n2)cn1 390831589 SRTWTCNFWLRPDG-UHFFFAOYSA-N 363.175 1.558 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)c(=O)n1C 585273993 XVQVRHLGERGEKG-FQEVSTJZSA-N 356.422 1.140 0 40 FDAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)COc2ncccn2)C1 585276949 QFQOGCKNFZXWJI-LJQANCHMSA-N 357.410 1.596 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1 218870002 NKKWYKLDYMFZQB-UHFFFAOYSA-N 370.434 1.987 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCCc2cncs2)[C@H]1c1nccn1CC 1614621887 JKFCAADKAMNLMT-ZFWWWQNUSA-N 361.471 1.628 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615155474 IDJJFJOCDQAPBY-HXUWFJFHSA-N 366.421 1.823 0 40 FDAB COCCN1C(=O)CC2(CCN(Cc3ccncc3)CC2)n2nccc21 1772596552 RSWMPZSMKLENHO-UHFFFAOYSA-N 355.442 1.653 0 40 FDAB Cn1c(=O)c2c(nc(NN)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 12559272 FCOSJOPVFGFTBH-UHFFFAOYSA-N 369.212 1.074 0 40 FDAB O=C(COc1ccc(Br)cc1)NCCCN1CCOCC1 17171337 MNZUGBHPCYMRLI-UHFFFAOYSA-N 357.248 1.666 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCCN)CC2)C1 19019753 CCZBVWDHTHLOGT-HXUWFJFHSA-N 359.470 1.918 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1 19716300 CMDZBVIEFZCDHP-OAHLLOKOSA-N 358.398 1.445 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)c2nccc3ccccc23)Cc2cn(C)nc21 19701346 UJCSQKFUHLLHEJ-INIZCTEOSA-N 363.421 1.796 0 40 FDAB Cc1noc(C)c1CN1CC[C@@H](N(C)C2=NS(=O)(=O)c3ccccc32)C1 1888875965 WESZIGDAQGXWAN-CQSZACIVSA-N 374.466 1.947 0 40 FDAB O=C([C@H]1CN(c2nc3ccc(F)cc3s2)CCO1)N1CCOCC1 1889133897 FRLCWMBUOWBSPM-CYBMUJFWSA-N 351.403 1.499 0 40 FDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)CC3(O)CCC3)CC2)CO1 1565553915 HFPUJSXYFIMJCT-CQSZACIVSA-N 353.463 1.008 0 40 FDAB CN(C)C[C@@H]1C[C@@H]2CN(C(=O)Cn3ccccc3=O)CC[C@@H]2N1CC1CC1 1565548902 LUNSTZMGSRHBAH-QYZOEREBSA-N 372.513 1.111 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(F)cc1 8954701 PLMJEYSLQPRLQD-UHFFFAOYSA-N 363.370 1.621 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N(C)C)c(C)c1 11897971 GDBWFKQOOUXYPU-MRXNPFEDSA-N 351.472 1.923 0 40 FDAB O=C1CCC2(CCN(S(=O)(=O)C3CC3)CC2)N1CCN1CCCC1 2055819326 ADTVFHCTCKAHIQ-UHFFFAOYSA-N 355.504 1.031 0 40 FDAB Cn1cc(-c2noc(CNS(=O)(=O)Cc3noc4ccccc34)n2)cn1 575414819 WYMCJPQMLOVKRP-UHFFFAOYSA-N 374.382 1.231 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 85557456 TXWOVFJKEBTETC-CQSZACIVSA-N 354.414 1.443 0 40 FDAB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 96222889 FSKUKYUFPMNTBI-CYBMUJFWSA-N 361.350 1.348 0 40 FDAB biogenic Cc1cc2c(cc1S(=O)(=O)N[C@@H](C)CCCC(C)(C)O)OCC(=O)N2 30952773 FSARTWAEUVLCQV-LBPRGKRZSA-N 370.471 1.934 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3)cc21 40287265 HQJJOOLYLLJALU-UHFFFAOYSA-N 373.796 1.950 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F 20734044 PYBQGDIJKZQXGJ-OAHLLOKOSA-N 350.325 1.518 0 40 FDAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccccn1 21774512 BXJMGYSAKFELNY-UHFFFAOYSA-N 352.188 1.526 0 40 FDAB Cc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1-n1cccc1 8711019 MMXLIFWIVRCFMA-UHFFFAOYSA-N 361.467 1.940 0 40 FDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1 42631920 WJOWDQXPISQQEC-QGZVFWFLSA-N 366.550 1.700 0 40 FDAB CCCc1nnc(SCC(=O)N2CCOCC2)n1C[C@@H]1CCCO1 1355928 DGINYBHIHLJYKN-ZDUSSCGKSA-N 354.476 1.361 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)s1 79480108 HVFBWIDDUFRKJO-VIFPVBQESA-N 368.850 1.983 0 40 FDAB Cc1cc(C)n(NC(=O)c2cc(-c3cccs3)on2)c(=O)c1C(N)=O 2806792 LFCCEHLOCJMWCM-UHFFFAOYSA-N 358.379 1.664 0 40 FDAB O=C1C[C@@H](N2CCN(C[C@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 22030159 YFFUAAZLPPQPTP-QZTJIDSGSA-N 357.454 1.111 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cc(OC)ccc1OC 2710024 QMYZESAKBWMZIA-CQSZACIVSA-N 372.377 1.568 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 53698235 JBSNCEPEQNIQEE-UHFFFAOYSA-N 352.437 1.394 0 40 FDAB NS(=O)(=O)c1cccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 8133357 QDMZKUHQPQQZSP-AWEZNQCLSA-N 363.370 1.217 0 40 FDAB Cc1nc2cc(C3CCN(C(=O)Cn4cncn4)CC3)nn2c(O)c1C 100137383 UETBBESGSJCVAJ-UHFFFAOYSA-N 355.402 1.049 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24689557 LTYXINWSEFIJPV-CQSZACIVSA-N 374.890 1.958 0 40 FDAB COc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[nH]3)cc2)N(C)C)cc1 25451089 VDKBHVGFWPPZJY-KRWDZBQOSA-N 366.425 1.908 0 40 FDAB COCCNC(=O)CN1CCN(c2ncnc3sc(C)c(C)c23)CC1 57381167 IUAHMLMWSABXFN-UHFFFAOYSA-N 363.487 1.193 0 40 FDAB CNC(=O)[C@H](C)CN(C)C(=O)CSCC(=O)Nc1ccc(C)cc1 72311389 UTIJAZZTJUOPPI-CYBMUJFWSA-N 351.472 1.507 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)CO1 26821936 XJINMYWNNOBQNC-UWVGGRQHSA-N 369.411 1.481 0 40 FDAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 1926293 KPBFTANIWIBOAD-UHFFFAOYSA-N 361.379 1.770 0 40 FDAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 12647485 HZOVZILYTAQGJP-UHFFFAOYSA-N 355.398 1.467 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC3(CC2)OCCO3)CC1=O 28090440 XAYZPHKRRZCCJW-INIZCTEOSA-N 358.438 1.967 0 40 FDAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(F)c1 10507296 SQFNDMNMQKTNTF-CYBMUJFWSA-N 367.439 1.799 0 40 FDAB O=C1CN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CCN1 28932862 CWWIWFFCKYVICW-UHFFFAOYSA-N 367.453 1.900 0 40 FDAB COC(=O)c1ccc(OCC(=O)N2CCO[C@@H](C)C2)c(Br)c1 29019865 HIURLSIORLLWCJ-JTQLQIEISA-N 372.215 1.862 0 40 FDAB CCc1ccc(NC(=S)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36846162 YMKCXAPYXYLZGJ-AWEZNQCLSA-N 369.512 1.229 0 40 FDAB Cc1oc(C)c(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 12792165 NHMPAZDTCBIUPU-UHFFFAOYSA-N 355.460 1.303 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccncc2)cc1N1CCCC1=O 20036008 MSWDEXOUZXKYRE-UHFFFAOYSA-N 361.423 1.696 0 40 FDAB COC(=O)c1ccc2c(=O)n(C3CC(C)(C)NC(C)(C)C3)c(=O)[nH]c2c1 12861658 ZYOKOEWFDRHXMT-UHFFFAOYSA-N 359.426 1.958 0 40 FDAB CN1CCOCCOCCN(Cc2ccccc2)CCOCCOCC1 3896108 ORJWVUHAKDKQLZ-UHFFFAOYSA-N 366.502 1.500 0 40 FDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 14117916 XOAKULNCSWOHMG-UHFFFAOYSA-N 356.350 1.705 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 6510775 ZVICCEWCYHZSMX-AATRIKPKSA-N 374.315 1.734 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2)c(N2CCCC2)n1 67256884 WWLQQNOLKOCCGK-UHFFFAOYSA-N 372.425 1.637 0 40 FDAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 16444410 HTYQNHXOBXORGR-UHFFFAOYSA-N 360.439 1.298 0 40 FDAB CCOC(=O)C1=C(Cn2nnc(-c3ccccc3C)n2)NC(=O)N[C@@H]1C 8391409 HIGDNQVWNILNML-LLVKDONJSA-N 356.386 1.167 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c1 9324553 JKJGGEXPBORAHS-UHFFFAOYSA-N 359.415 1.430 0 40 FDAB Cc1cc(C)cc(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1 95469786 IVDWPJBIYCOPGE-UHFFFAOYSA-N 372.513 1.872 0 40 FDAB Cc1noc(C)c1CNS(=O)(=O)N1CCO[C@H](c2ccccc2)C1 89529384 IEPWFYPZEPRESC-INIZCTEOSA-N 351.428 1.699 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccnn1C)C2 306131090 JWJWYZIEEDFYIP-MRXNPFEDSA-N 369.469 1.568 0 40 FDAB O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cccc(Nc2nn[nH]n2)c1 1556417181 ORECBMUOQYGIFU-HNNXBMFYSA-N 350.382 1.936 0 40 FDAB COc1ccccc1S(=O)(=O)NCCc1nc(C)c(C(=O)O)s1 548202458 BBQJWJXTBHMHPJ-UHFFFAOYSA-N 356.425 1.679 0 40 FDAB CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@H]12 306125437 CQWGVABALWVFPG-YXJHDRRASA-N 363.483 1.554 0 40 FDAB CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 526280041 OGGPKAYFNXRWPE-UHFFFAOYSA-N 370.409 1.725 0 40 FDAB Cn1cc(C2CCN(C(=O)C(=O)Nc3nc4c(s3)CCC4)CC2)cn1 526924778 NPVQBVUTXIMKLL-UHFFFAOYSA-N 359.455 1.710 0 40 FDAB O=C(Cn1c(=O)n(C2CC2)c(=O)c2nscc21)Nc1ccc(F)cc1 33312406 YWHJJTGLSWVTQK-UHFFFAOYSA-N 360.370 1.732 0 40 FDAB O=C([C@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395634 MVWFHRDGAYUHNP-YNEHKIRRSA-N 355.389 1.686 0 40 FDAB O=C(COC[C@@H]1CCCO1)N(Cc1nccs1)[C@H]1CC12CCNCC2 566049395 AOMZEFVVWWRGOR-GJZGRUSLSA-N 365.499 1.809 0 40 FDAB COc1ccc(CCNc2ccc(S(N)(=O)=O)cc2C(=O)O)cc1 217535666 OXHRMMNBNLPKFZ-UHFFFAOYSA-N 350.396 1.695 0 40 FDAB CCn1cc(S(=O)(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c(C)n1 36611376 KKZWIQPJGJMGGD-NSHDSACASA-N 358.317 1.181 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226386473 LHGJBCACLIKDFZ-IZXHFZDPSA-N 365.385 1.848 0 40 FDAB Cc1cc(C)n(CCC(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)n1 225783721 TTYSIKKIHKFEGA-UHFFFAOYSA-N 369.400 1.622 0 40 FDAB O=C(NCCCn1ncccc1=O)c1cccnc1O[C@H]1CCSC1 245170777 XFXSUWTXYFALFE-ZDUSSCGKSA-N 360.439 1.343 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCO1 257215790 CRRBNVXAXDWGRT-HNNXBMFYSA-N 352.398 1.633 0 40 FDAB Cc1c(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cnn1C 257219981 DJBKKFHRKKCLDJ-STQMWFEESA-N 372.473 1.396 0 40 FDAB CC(C)c1ncc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)cn1 257274171 NJWFYFJWEAXVNX-GOSISDBHSA-N 356.430 1.103 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 257289584 PZHJBXVDZOVIJU-JTQLQIEISA-N 359.411 1.319 0 40 FDAB O=C1COCCN1CC(=O)N1CCOc2cc(F)c(Br)cc21 297861948 SYQZQKNVSVESDM-UHFFFAOYSA-N 373.178 1.172 0 40 FDAB CNC(=O)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)cc1 569456922 NFBNXJRVNCFCEH-WFASDCNBSA-N 363.414 1.776 0 40 FDAB Cn1cc(-c2noc(CNC(=O)c3cc(=O)c4ccccc4o3)n2)cn1 390830447 LERRQEDSSKPHQR-UHFFFAOYSA-N 351.322 1.507 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCCn3cccn3)CCO2)cc1 585275985 CNEFDTRHXLSWIS-FQEVSTJZSA-N 357.454 1.804 0 40 FDAB Cn1cc([C@@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2)cn1 681287633 KDKJDFQJEFHKEH-OAHLLOKOSA-N 365.437 1.926 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3ccccc3)[C@H]3CO[C@@H]2O3)n1 1534639831 JDBWHYAIAQQGHW-OVYGPGRDSA-N 358.398 1.347 0 40 FDAB O=C(CCn1nc(O)ccc1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116103 RPXYOCMYIYGQFG-CQSZACIVSA-N 353.382 1.579 0 40 FDAB Cc1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)n12 12144989 YNZZGSMNYIDGGY-STQMWFEESA-N 353.426 1.857 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N(CCCO)Cc3ccco3)cc2N1 12187961 MHXPCXDVXXYCPR-UHFFFAOYSA-N 366.395 1.184 0 40 FDAB COc1cccc(OC[C@H]2CCCN(S(=O)(=O)c3ncn[nH]3)C2)c1 12239498 YYAWIBGIYLZIOX-LBPRGKRZSA-N 352.416 1.293 0 40 FDAB Cc1nc2c(c(N3CCN(CCO)CC3)n1)CCN(Cc1ccccc1)C2 12338358 MNCUHCMGWDNGFV-UHFFFAOYSA-N 367.497 1.458 0 40 FDAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc(F)ccc3C(=O)O)ccc21 12970521 ZDXFPZQDANGVIG-UHFFFAOYSA-N 364.354 1.844 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)C2 13228093 WHJZSVOAEYVRAQ-UHFFFAOYSA-N 368.363 1.723 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19457600 ANGTZARLHBEBRS-WMLDXEAASA-N 354.458 1.709 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)cc1 5940069 QNVYCEFOJMATGE-UHFFFAOYSA-N 364.379 1.909 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 11865697 XYGBRLBTBVBFTD-RNCFNFMXSA-N 362.835 1.234 0 40 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CC(C)Cn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 6309047 NNNSMMBMHMGFEU-ZIAGYGMSSA-N 361.490 1.568 0 40 FDAB O=C(COc1ccc(F)cc1)NCCn1nc(-c2cccnc2)ccc1=O 11744145 XACLIQDLRNZYKL-UHFFFAOYSA-N 368.368 1.640 0 40 FDAB Cc1ccc(CC(=O)N2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055772103 WVKBEYVZNYFSHY-FQEVSTJZSA-N 354.454 1.840 0 40 FDAB COc1cnc(C(=O)N2CCC3(CC2)CCN(c2ncccn2)C3)nc1 2055798654 PKLVUFMGFDYRRD-UHFFFAOYSA-N 354.414 1.408 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccco4)cc1c32 101078904 RIPPETYRWSQJSN-NSHDSACASA-N 353.378 1.931 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NCCn1ccnc1-c1cnccn1 575608304 FNHZADIHMNDWFP-UHFFFAOYSA-N 361.402 1.766 0 40 FDAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cccnc1 618254487 ACFHYLAWVCUGAR-SFHVURJKSA-N 362.451 1.674 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 21058682 JVPFZDZYPCOWJS-GJZGRUSLSA-N 357.458 1.885 0 40 FDAB Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3cccs3)CC2)cn1 60348675 JOWUGDZUEQGFFT-UHFFFAOYSA-N 368.484 1.312 0 40 FDAB 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O=C(O)[C@@H]1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)[C@@H]2CCC[C@@H]12 630280264 MOHQFPYNLZBFFC-YWPYICTPSA-N 371.393 1.204 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(Cl)ccc1F 643971527 XYQNFXGAUTVFHN-ZDUSSCGKSA-N 351.783 1.733 0 40 FDAB CCc1ccc([C@H]2CNCCN2Cc2nnn(CC(F)(F)F)n2)cc1 662273745 ZORWPIOHNXPLON-CQSZACIVSA-N 354.380 1.944 0 40 FDAB O=C(Nc1ccn(Cc2ccncc2)n1)N1CC[C@H](N2CCCC2=O)C1 683029502 NPIGQQZBUUDXOE-HNNXBMFYSA-N 354.414 1.555 0 40 FDAB CCc1nc(C)cc(N2CC[C@@]3(NC(=O)[C@@H]4[C@H]5COC[C@H]54)CCC[C@H]23)n1 1775986950 LWBLZMDJEAZEEY-LIHGBGNGSA-N 356.470 1.857 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCn1nc(C(F)(F)F)cc1C1CC1 96103726 RVRVFGZGRXUZDM-UHFFFAOYSA-N 358.320 1.045 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1 585099262 ZGSLXCDHKIARFU-CQSZACIVSA-N 365.437 1.783 0 40 FDAB COCCN1CC2(CCN(C(=O)c3nnsc3C)CC2)C[C@H]1COC 585103606 KHZRLYBBAAIGIV-AWEZNQCLSA-N 368.503 1.436 0 40 FDAB CC1CCC(CN2CCC[C@]3(C2)CN(CCS(C)(=O)=O)C3=O)CC1 585099285 BHROTDJOYKAAFY-HTWSVDAQSA-N 356.532 1.782 0 40 FDAB CC(C)n1nc(C(=O)N(CC(=O)O)C2CCOCC2)c2ccccc2c1=O 584908009 YXBFFZRKLNXVAA-UHFFFAOYSA-N 373.409 1.683 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)cn1 585095582 YZXXXGOAALFYGE-QGZVFWFLSA-N 373.501 1.831 0 40 FDAB Cc1ccnc(OC[C@H]2Cc3c(ncn3C)CN2C(=O)c2cocn2)n1 585094677 GYNZTHVMRYXHHO-GFCCVEGCSA-N 354.370 1.153 0 40 FDAB COc1c(CNC(=O)c2ccccc2NS(C)(=O)=O)c(C)nn1C 96011664 DXSUCFKBUABKNV-UHFFFAOYSA-N 352.416 1.039 0 40 FDAB Cc1cc(F)c(CC(=O)N2CC(n3cnc4c(N)nc(N)nc43)C2)cc1F 1638780973 UHCYRJQUGNKQLC-UHFFFAOYSA-N 373.367 1.203 0 40 FDAB CC(C)c1nnc(NC(=O)CN(C)S(=O)(=O)c2cccs2)s1 12772720 URODTWCTSJKIDM-UHFFFAOYSA-N 360.486 1.982 0 40 FDAB COc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1NC(C)=O 12933436 DYBAKBDYFYIIGB-UHFFFAOYSA-N 367.471 1.559 0 40 FDAB NC(=O)c1cnn2c(O)cc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 643550300 BZFMJWSWNYGNAT-VIFPVBQESA-N 355.329 1.193 0 40 FDAB CCN(CC)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O 643551517 NAQWQSVKBOKDSP-AEFFLSMTSA-N 354.878 1.549 0 40 FDAB CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@]2(CCN(CCN3CCCC3)C2=O)C1 1614928163 AAYSRHKMSBSDOD-YLJYHZDGSA-N 364.534 1.119 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1 1565548929 MONHIRGZIPMSHD-IMJJTQAJSA-N 361.417 1.548 0 40 FDAB COc1cc(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)on1 1565551829 WCQLWLIXUJZUNI-KUHUBIRLSA-N 371.393 1.150 0 40 FDAB O=S1(=O)CC[C@@H](NCCn2cncc2-c2c[nH]nc2-c2ccccc2)C1 19719566 CJTKXIXAOQSAAS-OAHLLOKOSA-N 371.466 1.717 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@H](O)c3ccccc3F)c(=O)[nH]c2c1 40074163 ZZXXTWNVTDPKRT-HNNXBMFYSA-N 358.325 1.349 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1C[C@H](C)O[C@@H](C)C1 40039244 RYTIKWKBXSPLDQ-IUCAKERBSA-N 371.363 1.938 0 40 FDAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC(C)(C)C(N)=O)c12 40158093 ULKKFCCMAAHXKN-UHFFFAOYSA-N 351.410 1.937 0 40 FDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCCNc1cnccn1 32818959 USEANISLZDBQCG-UHFFFAOYSA-N 352.398 1.264 0 40 FDAB Cc1cc(=O)n2nc(COC(=O)Cn3c(=O)oc4ccccc43)sc2n1 21604270 BEGGHBKCQUOBKF-UHFFFAOYSA-N 372.362 1.111 0 40 FDAB Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)N3CCNC3=O)cc12 8757207 UHJUHUDPJXWIJJ-UHFFFAOYSA-N 364.427 1.771 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC 848837 PKIIOZAICIYOSN-AWEZNQCLSA-N 362.474 1.934 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CCO)Cc1ccccc1 76906368 FGTHLVNXFIJDKD-UHFFFAOYSA-N 363.417 1.931 0 40 FDAB COC(=O)CNC(=O)c1cn(Cc2ccccn2)c(=O)c2ccccc12 79190080 GCIBBXMBQUOTLW-UHFFFAOYSA-N 351.362 1.348 0 40 FDAB biogenic C[C@H](CNS(C)(=O)=O)OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 79106404 GFNBAKOUBWUWRQ-UKRRQHHQSA-N 368.455 1.020 0 40 FDAB O=C(Cn1ccc2c(nnc3ccnn32)c1=O)NCCC1=CCCCC1 79501156 KGGRNZVKDSHODI-UHFFFAOYSA-N 352.398 1.446 0 40 FDAB CC(=O)N[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(C)C 22061251 APLDJDNXXVMKTK-MSOLQXFVSA-N 365.449 1.476 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCn1nnnc1C 100753380 DENAAACGXCFPEL-JSGCOSHPSA-N 352.402 1.011 0 40 FDAB C[C@@H](Sc1nnc(N)s1)C(=O)N1CCN(Cc2ccccc2)CC1 22357494 UQNKSXALWKCNNI-GFCCVEGCSA-N 363.512 1.945 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 8268387 YJZBMGFWYKGRIU-BBRMVZONSA-N 370.405 1.968 0 40 FDAB O=C(Cc1cnc(-c2ccccc2F)s1)N[C@H]1CCS(=O)(=O)C1 12391103 RMNXFJHCAFEVEY-JTQLQIEISA-N 354.428 1.795 0 40 FDAB Cc1c(C)n(C[C@H](O)CN2CCN(CCO)CC2)c2c(Cl)cccc12 22918317 YRAVXVBOUFWHEE-MRXNPFEDSA-N 365.905 1.882 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C)n2)c1 57279500 TXVNUMQDVLOZQV-UHFFFAOYSA-N 374.426 1.873 0 40 FDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 104756019 HQPXDFPTFKWDST-YRRQLQLVSA-N 360.439 1.797 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 25013865 XZMBDTOMSVJLOR-UHFFFAOYSA-N 352.437 1.910 0 40 FDAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1F 56059033 AEDHXIWQWBXNRX-UHFFFAOYSA-N 372.372 1.841 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 102847764 HCNBMWSBFPQATH-HUUCEWRRSA-N 356.378 1.144 0 40 FDAB COc1ccc([C@@H](NC(=O)CN2CSCC2=O)c2nccn2C)cc1 12601208 AESWCNSDLLVTGF-MRXNPFEDSA-N 360.439 1.167 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1F 3394495 BIFMCCBUDQYFIQ-UHFFFAOYSA-N 360.341 1.560 0 40 FDAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ncccn3)CC2)C1=O 10167863 IIBALWOXPQLVHN-MRXNPFEDSA-N 351.410 1.239 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2C)c1 58193412 POWCEKYXMXSOIU-CYBMUJFWSA-N 368.480 1.943 0 40 FDAB COc1ccc(F)cc1C(=O)COC(=O)Cn1nnc2ccccc2c1=O 10868237 XVWPAYPSXFKOAJ-UHFFFAOYSA-N 371.324 1.365 0 40 FDAB CCN(CCc1ccccc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 45465508 OTILRJMQVAONGS-UHFFFAOYSA-N 351.406 1.781 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 11511295 XZXWUVLPZAKYNU-UHFFFAOYSA-N 355.346 1.880 0 40 FDAB COc1cccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 29507812 IUONEAUMAPGRAD-UHFFFAOYSA-N 353.386 1.383 0 40 FDAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(N)=O)c2)cc1 13041692 UVQSOLUKPAPGEI-GFCCVEGCSA-N 362.407 1.826 0 40 FDAB COCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408602160 HZVHFTQFPPCJBA-CYBMUJFWSA-N 358.460 1.151 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COc1c(C)occc1=O)CC2 49543546 HSGHDCDGOILUOE-UHFFFAOYSA-N 359.378 1.929 0 40 FDAB biogenic Cn1c(=O)n(CC(=O)NC(=O)NCCc2cccs2)c2ccccc21 8748023 JNPBTEOIQUCLBJ-UHFFFAOYSA-N 358.423 1.470 0 40 FDAB NC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 13856457 NBIVIGOWDSGLDH-ZDUSSCGKSA-N 369.343 1.535 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 39983574 HPKMOBSWVKMLGI-SFHVURJKSA-N 354.414 1.539 0 40 FDAB CCN(C(=O)CSc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 6612009 IKPIMGXTFFYBKN-AWEZNQCLSA-N 370.496 1.773 0 40 FDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)Nc1cccc(F)c1 67317368 ZAOHOHKHMJIMRV-UHFFFAOYSA-N 369.400 1.933 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1 9060298 NQILRDFIZLMUSS-CQSZACIVSA-N 357.462 1.170 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2O1 7253260 SJNJGXQRWFYJKP-QGZVFWFLSA-N 350.378 1.510 0 40 FDAB C[C@@H]1CCCCN1C(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 8072732 MDDDYYLAVVHHAW-MNOVXSKESA-N 359.473 1.465 0 40 FDAB C[C@]1(NC(=O)CSc2nnc(C3CCCCC3)o2)CCS(=O)(=O)C1 8428432 AKTHLBGAMOFZTB-HNNXBMFYSA-N 373.500 1.903 0 40 FDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccc(C(=O)O)cc1 27976395 ULNWUGIXJCBREJ-LBPRGKRZSA-N 367.365 1.444 0 40 FDAB COc1ccc(OC)c(-n2ccc3c(nnc4nc(SC)nn43)c2=O)c1 72452290 XCBRIBMYFZIYMX-UHFFFAOYSA-N 370.394 1.563 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccccn3)CC1)C2=O 96536885 KVODCITUTCQRKG-UZLBHIALSA-N 371.485 1.657 0 40 FDAB Cn1cc(C[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)C(N)=O)cn1 95443831 HGLBVOUGCYXAFP-INIZCTEOSA-N 372.450 1.196 0 40 FDAB NC(=O)c1cnn2c(C(=O)NCc3cccc(Br)c3)ccnc12 89774417 IBZKIMWSPUNTBD-UHFFFAOYSA-N 374.198 1.521 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 4332838 GHIWZIFENKJCLP-UHFFFAOYSA-N 369.424 1.093 0 40 FDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccn1 408709425 SRUCRCVUGHQKMJ-UHFFFAOYSA-N 354.410 1.517 0 40 FDAB Cc1cccc(C)c1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C 32508628 KSNLCWZEHRXQGD-OLZOCXBDSA-N 367.496 1.442 0 40 FDAB COCCCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@]21NC(=O)c2cccnc2N1 72342620 ZJKMGFUADCBVHZ-KMTJZVEASA-N 372.469 1.912 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 519797644 CFWFMSIZXRKNNO-UHFFFAOYSA-N 369.377 1.545 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCNc1ncccn1 524730947 DDVKQZAROQGSDU-OHNRDTAOSA-N 367.409 1.115 0 40 FDAB biogenic CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 32096352 RPHCQLMGHSLWAP-CABCVRRESA-N 367.471 1.526 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccnn1C 329699216 DACBNNMHMINXBU-UHFFFAOYSA-N 350.444 1.077 0 40 FDAB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 46541979 SCFOMLMEFPVXHH-UHFFFAOYSA-N 356.444 1.198 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1C 224195737 SAITXBGCPJVTJM-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc21 96118095 CLUUMWOHFWCUAK-UHFFFAOYSA-N 354.410 1.472 0 40 FDAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)c1ccccn1)CC2 96206416 FKHSNGREXMCFNH-INIZCTEOSA-N 357.454 1.819 0 40 FDAB CCS(=O)(=O)NCCN1CCC[C@@H]1[C@@](C)(O)c1ccc(OC)cc1 583615571 LGKVQMVNDHQODL-SJORKVTESA-N 356.488 1.306 0 40 FDAB COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC3CCCC3)c21 96198437 VNGGYDXOFIUPFV-HNNXBMFYSA-N 356.492 1.425 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2cccnc2O[C@@H]2CCOC2)cc1 244998806 KUHKVWLRSIOAQP-GFCCVEGCSA-N 363.395 1.149 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)cn1 257233316 GOSQRPWDARWMIU-CQSZACIVSA-N 352.398 1.159 0 40 FDAB O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2N1 604403849 AJJOWHQKJKKUND-OCCSQVGLSA-N 365.389 1.439 0 40 FDAB biogenic Cc1c(NC(=O)[C@@]2(C)CCN(C)C2=O)cccc1N1C(=O)N[C@H](C)C1=O 635932694 AAHXQJHMVBBARN-ADLMAVQZSA-N 358.398 1.247 0 40 FDAB COCC(=O)N1CCN(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)CC1 646453758 BLBJVKZVAWGSGV-HNNXBMFYSA-N 371.441 1.815 0 40 FDAB CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 1139799324 VKXQQKCPJNKIOX-QGZVFWFLSA-N 371.437 1.824 0 40 FDAB CCc1nc(CN2CCC[C@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)no1 660644546 KZYSNNQDZMMJHK-KBPBESRZSA-N 365.478 1.711 0 40 FDAB CN(Cc1cccs1)C(=O)Cn1cnc2c1CCNC21CCOCC1 1615589963 MQZPHGFKKWQQBL-UHFFFAOYSA-N 360.483 1.755 0 40 FDAB O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)c2occc2Br)N1 674362685 ZEZCMRHGUBZHFN-UHLUBPPHSA-N 356.176 1.150 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(OC)cc3CC2)cc1 682216801 HXIVVZXYHDSLJT-UHFFFAOYSA-N 374.462 1.844 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)C2CCCC2)CCO1 585282251 CEHDXVUKHNDCGZ-IBGZPJMESA-N 364.417 1.868 0 40 FDAB Cn1c(N2CCC(c3noc4cc(F)ccc34)CC2)cc(=O)n(C)c1=O 663919175 ZIHAWINMNAPMMY-UHFFFAOYSA-N 358.373 1.748 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 585111948 FGZVBBCRQYHSOZ-HNNXBMFYSA-N 366.512 1.973 0 40 FDAB O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)N1CCc2ccccc21 85436882 MCGMDHBXBGSHSZ-GOSISDBHSA-N 355.438 1.520 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)O 5415538 UVSYGDAIZHLVBZ-SCVCMEIPSA-N 369.830 1.977 0 40 FDAB O=C(CN1C(=O)CSC1=O)N1CCC[C@@H](c2n[nH]c3ncccc23)C1 13266729 WJNXUPPYSNFLQH-SNVBAGLBSA-N 359.411 1.359 0 40 FDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1ccc(C)cc1 14162958 FPDWPUCVTBJNHV-SJORKVTESA-N 372.469 1.339 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)NC1CCN(Cc2cccnc2)CC1 19338918 ZDTKQBFHGGCWDU-UHFFFAOYSA-N 369.421 1.970 0 40 FDAB O=C(CCn1cccn1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347237 JSMBCDZYCHZFED-UHFFFAOYSA-N 351.410 1.916 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19583477 VXCGBCPLGCFLAT-UHFFFAOYSA-N 351.410 1.985 0 40 FDAB CN1CCc2nc3cc(C(=O)N4CCCCCC4)ccc3c(=O)n2CC1 19590756 SFOXQZIMRDFWTN-UHFFFAOYSA-N 354.454 1.901 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O 8105138 MYGCQBPEVYGAPC-LCYFTJDESA-N 350.396 1.494 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)CCC(=O)O)C=C1COC(=O)[C@@]12O 514288276 AHQLBRAJSCUBQQ-PNYIKSMMSA-N 366.410 1.824 0 40 FDAB biogenic,in-vitro O=C1CCc2cc(S(=O)(=O)NCCc3ccc(C(=O)O)cc3)ccc2N1 13314040 CWZNRTLSJAQSHP-UHFFFAOYSA-N 374.418 1.791 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)Cc5cccnc5)C[C@H]4C3)n1)CCC2 1888869756 IPXSBKHIVWSTMM-IRXDYDNUSA-N 363.465 1.806 0 40 FDAB O=C(c1ccnc(O)c1)N1CCC(COc2ccc3nccn3n2)CC1 1888879091 BXYPGOYMDAZNNI-UHFFFAOYSA-N 353.382 1.761 0 40 FDAB c1nc(N2CCC(COc3ccc4nccn4n3)CC2)c2c[nH]nc2n1 1888906387 CIIIGEUYGBXNJW-UHFFFAOYSA-N 350.386 1.691 0 40 FDAB COc1cnc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)nc1 2056223410 KCOHNUWOOFGQPQ-IBGZPJMESA-N 368.441 1.798 0 40 FDAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)n1 2056224261 OETXSYMLYHSFKS-FQEVSTJZSA-N 367.453 1.922 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCC2(OC)CCSCC2)cc1 253394427 BAQKYKKTUMMUGL-UHFFFAOYSA-N 359.469 1.664 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499758 QOEVIUIVKNFKJU-UHFFFAOYSA-N 369.406 1.779 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 10876003 GRKQZCSWEKPQKO-HNNXBMFYSA-N 374.462 1.963 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)c(OC)c1 11898924 FLPIYNDPHZNCEY-INIZCTEOSA-N 374.441 1.400 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCc2nccnc2-c2cnn(C)c2)cc1 575619234 JKUWLCAZMSWGMF-UHFFFAOYSA-N 371.422 1.558 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](O)c2csc3ccccc23)C(=O)C1=O 225695238 SNLGCWQIPSZKMY-CYBMUJFWSA-N 361.423 1.335 0 40 FDAB Cc1cccc(OCCNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)on2)c1 40106398 GHWQYKNAKSWAQR-CQSZACIVSA-N 366.439 1.790 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 31100795 LZFOAKPUAGONFG-UHFFFAOYSA-N 371.478 1.872 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1-n1cnnn1 31995717 LCQKSJIWGQPQFN-CZUORRHYSA-N 358.427 1.363 0 40 FDAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1nccs1 20745615 SGTQLABJSJCKCZ-GFCCVEGCSA-N 358.423 1.641 0 40 FDAB Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1n[nH]c2c1CCC2 9329496 WKISTLJNPHNPOD-UHFFFAOYSA-N 373.417 1.741 0 40 FDAB Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 1222726 VWNFZHLHBMAZBE-UHFFFAOYSA-N 358.423 1.254 0 40 FDAB Cn1nnc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)n1 1266801 HZZPFGSWZGQXII-UHFFFAOYSA-N 368.422 1.916 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NC(=O)NC2CC2)cc1 52714695 UFCAKZSXNHAMAK-HNNXBMFYSA-N 360.414 1.086 0 40 FDAB O=C(CN1CCCCCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 33028079 BSZZMQJRECHJPB-UHFFFAOYSA-N 373.453 1.462 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21 10447590 NFHJCBLDXRFJEY-UHFFFAOYSA-N 352.394 1.821 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1F)c1ccc(F)cc1 8810794 YUXDWCSCEVUZHC-UHFFFAOYSA-N 370.377 1.878 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1OC 58340527 DHEWXDNHZJGEST-UHFFFAOYSA-N 368.386 1.760 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)NCCc1ccccc1 58195622 UHKMWQOUSTZDSW-FQEVSTJZSA-N 365.477 1.908 0 40 FDAB CCc1nc2ccccc2n1CC(=O)NCC(=O)N(C)Cc1cccnc1 58216001 PAAUWOPYPREAPO-UHFFFAOYSA-N 365.437 1.769 0 40 FDAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NC(C)C)c(=O)c1CCO 67301685 MVAAISGWSLOHEY-UHFFFAOYSA-N 363.845 1.932 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(-c3ccco3)s2)C1=O 48288624 YLTSFDQZJUBABV-OAHLLOKOSA-N 361.383 1.457 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccn3)CC2)cc1C 24972642 UFUAMSJHRJEAJH-UHFFFAOYSA-N 362.455 1.033 0 40 FDAB Cn1c(CSc2nnc(Nc3ccccc3)s2)cc(=O)n(C)c1=O 11385231 YUQSCLPKLRNBLT-UHFFFAOYSA-N 361.452 1.971 0 40 FDAB CCNC(=O)CNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 12782731 UMPDCYAXZLJMQC-UHFFFAOYSA-N 353.426 1.684 0 40 FDAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1N 11519251 MTWSRKZSZYUMGD-UHFFFAOYSA-N 356.407 1.850 0 40 FDAB COc1cccc(CNC(=O)CNC(=O)N2CC(=O)Nc3ccccc32)c1 8770170 CZDOYUPXZIPTEQ-UHFFFAOYSA-N 368.393 1.480 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 8747731 PLPVPDFSRDZIJO-LJQANCHMSA-N 359.426 1.721 0 40 FDAB CCC[C@H]1NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 14018483 OEGKVHYAARQTOP-CQSZACIVSA-N 369.443 1.036 0 40 FDAB C[C@H](C(N)=O)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 92861076 KBWYXXZEEHYMAU-SNVBAGLBSA-N 351.403 1.289 0 40 FDAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1 6694771 VQVKCQDWQIMOKF-UHFFFAOYSA-N 366.421 1.962 0 40 FDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(OC)ccc1OC 6719149 BEMNAPZCJGNBSL-DGCLKSJQSA-N 356.469 1.799 0 40 FDAB CCCNC(=O)c1nsc(C(=O)NCc2ccc3c(c2)OCO3)c1N 67334909 XGLSSOYUARLJOK-UHFFFAOYSA-N 362.411 1.524 0 40 FDAB CC[C@H](C)NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316701 QXYZVPIRYITPMQ-LBPRGKRZSA-N 361.417 1.807 0 40 FDAB COCCCn1c(SCc2cc(=O)n3c(C)cccc3n2)n[nH]c1=O 7219482 ZDFMXGWKFIZGCL-UHFFFAOYSA-N 361.427 1.217 0 40 FDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(NC(N)=O)CC1)C(C)C 80783958 USFXBPGZUSMGAD-MRXNPFEDSA-N 360.458 1.409 0 40 FDAB COc1ccc(C(=O)OCc2cc(C)on2)cc1S(=O)(=O)NC1CC1 7752454 XIAVLKDOYPSNHL-UHFFFAOYSA-N 366.395 1.789 0 40 FDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c1 8324019 FPOHARCZQKKTMU-ZDUSSCGKSA-N 374.470 1.095 0 40 FDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)N(C)c1ccccc1 9743480 UOHZLIUVBLPKBT-ZDUSSCGKSA-N 351.366 1.871 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 95479931 JJAHFMWNIMMPMT-INIZCTEOSA-N 369.425 1.834 0 40 FDAB CN(C)CCOCCNC(=O)Nc1ccc(N2CCSCC2)cc1 95943862 CBNLLIKIXLFAHF-UHFFFAOYSA-N 352.504 1.940 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCc2ccco2)c1 25128500 FGOWDKBQLLIMMQ-UHFFFAOYSA-N 350.440 1.924 0 40 FDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1 24227081 SGWYOPSIGOLZPV-UHFFFAOYSA-N 368.480 1.458 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CCC21CCN(Cc2cccnc2)CC1 306130712 JNNVDTQGINMBPP-UHFFFAOYSA-N 355.442 1.318 0 40 FDAB COc1ccc(N([C@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 408875672 GXJGCLYYDZOYIV-IUODEOHRSA-N 356.444 1.145 0 40 FDAB COC1(C(=O)N2CC[C@H](c3ccccc3)O[C@H](C)C2)CS(=O)(=O)C1 1551349122 SYNONTMTBQSWGS-UKRRQHHQSA-N 353.440 1.179 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 32641354 NXKGBDVJGVVZIX-YPMHNXCESA-N 373.858 1.460 0 40 FDAB O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccncc1 35314523 LWDLUXFCFJDJHS-UHFFFAOYSA-N 363.414 1.804 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218095849 ATYDAPZGAJGXBD-BQFCYCMXSA-N 361.419 1.665 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)c3nc[nH]c3C)C2)cc(N2CCOCC2)n1 72454266 GLMFEOWZGMNRRO-HNNXBMFYSA-N 370.457 1.673 0 40 FDAB CCN(CC(=O)NCCOC)S(=O)(=O)c1ccc2ccccc2c1 39986872 VSEBJCTYHQHZRS-UHFFFAOYSA-N 350.440 1.613 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 218355969 CQLLHGXSRBIUBY-ZIAGYGMSSA-N 372.414 1.839 0 40 FDAB O=C(NCc1nccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 80043590 FZKQHAANEFWEML-UHFFFAOYSA-N 366.468 1.359 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 225750387 IPAVQMVJBOUHJL-BFJAYTPKSA-N 357.341 1.663 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)CCSC 75157652 RFYWGKNOKANXIT-HNNXBMFYSA-N 360.863 1.907 0 40 FDAB COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OCC(=O)O 85879890 RSSHIOUDBZDNNB-LLVKDONJSA-N 359.334 1.596 0 40 FDAB biogenic O=C(c1ccc(Cl)cc1)[C@H](C(=O)N1CCOCC1)n1ccccc1=O 199403162 KLQRPQREJAEYHX-MRXNPFEDSA-N 360.797 1.785 0 40 FDAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCO 223189112 YTSMFKGXAMZWLP-LJQANCHMSA-N 358.413 1.894 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCC(N2CC[C@@H](O)C2)CC1 96099717 MCVHTQWPHLKLSF-LLVKDONJSA-N 350.893 1.621 0 40 FDAB Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2C 96251527 NJXOTKNZSFDHAH-DLBZAZTESA-N 365.499 1.398 0 40 FDAB NC1(CNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)C2CC3CC(C2)CC1C3 577942781 UEYMVEMMZXQGBH-FVOCXAOSSA-N 360.502 1.593 0 40 FDAB O=C(NC1CCC(N2CCNCC2)CC1)c1ccncc1Br 333250444 GRFJTWTUNQVRMB-UHFFFAOYSA-N 367.291 1.790 0 40 FDAB COc1ccc(C(=O)CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1 95476044 FFJLNTFGDPNHQB-KRWDZBQOSA-N 351.366 1.270 0 40 FDAB Cn1c(=O)n(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c2ccccc21 581535726 QNQAVZATJXWXHM-QAPCUYQASA-N 351.406 1.675 0 40 FDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)N1CCCC1 96108803 CAHIJSIIZKFUDV-AEFFLSMTSA-N 350.484 1.836 0 40 FDAB Cc1ccnc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)c1 247833884 MPTRIVVWJYUBNL-OAHLLOKOSA-N 364.467 1.446 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CCCCC2)C1 248037078 NEEKGVCTLUJHBD-INIZCTEOSA-N 369.469 1.936 0 40 FDAB CC1(C)COC(=O)N1c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257339777 ZDDBIGGRFRYMOA-UHFFFAOYSA-N 354.432 1.351 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](Cc3cc(C(=O)N(C)C)ncn3)C2)no1 257294399 QTYRWJXLLZPLBH-CYBMUJFWSA-N 357.414 1.570 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257319706 VTRSOFJICYPWET-LJQANCHMSA-N 357.458 1.074 0 40 FDAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)NCCN1CCOCC1 253406671 UVIHVKLAQHRNAQ-NSHDSACASA-N 351.428 1.518 0 40 FDAB biogenic,in-vitro CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(C(F)(F)F)c(O)n1 616432082 NGZDWBMKUJSLPV-CQSZACIVSA-N 361.320 1.173 0 40 FDAB CC(=O)N(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 621007896 GQKYLWHWFPHWAJ-UHFFFAOYSA-N 354.414 1.813 0 40 FDAB COc1ccc(-c2nccc(N3CCC4(CC3)NC(=O)[C@H](C)O4)n2)cc1 1615589212 JSTUHAUYEWOHKB-ZDUSSCGKSA-N 354.410 1.984 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 623287847 LFNGYVGEIURGOJ-CXAGYDPISA-N 351.406 1.634 0 40 FDAB Cc1nc(CN2CCN(C(=O)Cc3ccc(-n4ccnc4)cc3)CC2)n[nH]1 631352527 BCGMREISAYVRPG-UHFFFAOYSA-N 365.441 1.186 0 40 FDAB O=C1CN(C(=O)NCc2cc3c(nc2O)CCC3)CN1CCC(F)(F)F 637381909 SXAHXTRUWPQBSQ-UHFFFAOYSA-N 372.347 1.540 0 40 FDAB O=C(N[C@H]1COc2cc(F)cc(F)c21)N1CCC(n2cnnc2O)CC1 664646041 VBEAFZWQQONRIU-LBPRGKRZSA-N 365.340 1.742 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575405294 RZKLXHCMRLDROE-KRWDZBQOSA-N 366.377 1.695 0 40 FDAB Cn1cnc(C(=O)N2CCN3C[C@@H](OCc4ccccc4F)C[C@H]3C2)n1 585107892 CCPMPEPSLBZEKY-GJZGRUSLSA-N 359.405 1.070 0 40 FDAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)/C=C/CN(C)C)n1 585291777 FYQAEDLROSZHKK-YERXGYGTSA-N 367.457 2.100 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCCN(CCn3cccn3)CC2)c1 75162602 RQHCURWVLYERJD-UHFFFAOYSA-N 358.442 1.748 0 40 FDAB CC(C)N1CCC[C@H](N2CCN(Cc3cn4cccnc4n3)CC2)C1=O 95999473 BLHJZAFIWZZHAT-KRWDZBQOSA-N 356.474 1.246 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@@H]4CCCN4C[C@H]3CCO)CC2)cc1 1615193261 UPJSHEMBPBMYMQ-LEWJYISDSA-N 373.541 1.857 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)N1CC(O)C1 19696625 RGCUGTJAPXNBGF-HXUWFJFHSA-N 369.421 1.468 0 40 FDAB Nc1nc(N)c(C=O)c(Nc2ccc(I)cc2)n1 13215659 WKNAVAUBEFQIPL-UHFFFAOYSA-N 355.139 1.802 0 40 FDAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCOCC1 16322233 AICZGWCWJGGRSO-CQSZACIVSA-N 368.455 1.097 0 40 FDAB CC(=O)c1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)cc1 17946065 QGZCQIKHTRZCDO-INIZCTEOSA-N 358.394 1.360 0 40 FDAB CC(=O)NCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(C)=O 19021369 IESHSTODFBVGIC-SFHLNBCPSA-N 371.481 1.908 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2cc(C)n(C)n2)[C@H](C)C1=O 19658760 RGZWXRBMASWVEZ-CQSZACIVSA-N 371.441 1.413 0 40 FDAB CNC(=O)c1cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2ccccc12 19754571 WDONZXKLPJWFPY-ZDUSSCGKSA-N 363.421 1.958 0 40 FDAB CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041518 VBIURLISCRXPKO-JTQLQIEISA-N 363.277 1.888 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)co1 1888929989 KTRZGNTYWDJQMO-ZIAGYGMSSA-N 372.450 1.496 0 40 FDAB Cc1cc2c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nccn2n1 2087131789 ZBJMLYZGVZXQRJ-CQSZACIVSA-N 365.384 1.501 0 40 FDAB CN(C)c1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 11693715 ATUFNXLPPWTGQI-UHFFFAOYSA-N 355.394 1.779 0 40 FDAB O=C(NCc1ccco1)c1noc2c1C[C@H](NC(=O)C1CCOCC1)CC2 2055745646 PZNXRTURKZSAIU-CYBMUJFWSA-N 373.409 1.598 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccc(F)cc2)C1 2055772468 LHTMNUKCYXQGQF-IBGZPJMESA-N 374.416 1.507 0 40 FDAB O=C(NCc1cncc(N2CCCC2=O)c1)[C@@H]1COc2ccccc2O1 585150402 WOJPGMHLGAWLPF-KRWDZBQOSA-N 353.378 1.665 0 40 FDAB O=c1cc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc2ccccn12 2298092178 RTZLNAFDRYSRJA-UHFFFAOYSA-N 373.420 1.602 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(OC)c2C)cn1C 31722553 UFUPFJKJHMNOBE-UHFFFAOYSA-N 351.428 1.811 0 40 FDAB CCN1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@H]23)CC1 20411643 RZJXEISZQFKAGA-AHBSSGKESA-N 362.514 1.909 0 40 FDAB Cc1ccc(/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1 2665204 VSKQNTCSUBWFLG-VOTSOKGWSA-N 362.407 1.363 0 40 FDAB COC(=O)CNC(=O)CCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 78641798 LHXWKCJMJOFLLJ-ZDUSSCGKSA-N 369.412 1.323 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(C)s1 21967306 MWVZOSNLYCPNCQ-AWEZNQCLSA-N 372.512 1.624 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C)ccc2C)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4569038 YSVLWEZRMAGNEW-KFGODFMUSA-N 365.426 1.424 0 40 FDAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)C2=COCCO2)cc1 7655478 NPTVLSDBGSZCLJ-HNENSFHCSA-N 374.418 1.765 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 8169198 LETILKCLMYJHLX-UHFFFAOYSA-N 365.407 1.726 0 40 FDAB O=C(c1ccccc1F)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231361 QVVFKOWAJZHCFR-UHFFFAOYSA-N 366.400 1.759 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)no1 101452359 KUCXECHSLQLWLB-OYRIPWCXSA-N 365.389 1.586 0 40 FDAB CN1C(=O)/C(=C2/N=c3ccccc3=C2NO)c2ccc(Br)cc21 100534152 WWVVQXIBSZPELF-JQIJEIRASA-N 370.206 1.557 0 40 FDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3OC)nnc12 1409209 HMSGXGNLJSXNQD-UHFFFAOYSA-N 356.342 1.144 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 25459084 FONHDINNZFUJSY-UHFFFAOYSA-N 361.442 1.130 0 40 FDAB COc1ccccc1NC(=O)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1OC 1516271 CVKQGYZPPOLIEB-HOTGVXAUSA-N 360.366 1.003 0 40 FDAB Cc1nc(C2(NCC(=O)NC(=O)NCC(F)(F)F)CCCCC2)no1 58193181 MZFFJEZTUXQVTL-UHFFFAOYSA-N 363.340 1.515 0 40 FDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccccc2)C[C@@H](C)O1 48286940 PNDYEOBZRSJCGZ-LMMKCTJWSA-N 373.497 1.907 0 40 FDAB CN1C(=O)N(C)[C@H]2[C@@H]1N(CN1CCCCC1)C(=O)N2CN1CCCCC1 2226392 VXQIGHVZYQZUHN-IYBDPMFKSA-N 364.494 1.260 0 40 FDAB Cn1c(COC(=O)CCC(=O)c2ccc(Cl)s2)cc(=O)n(C)c1=O 10620701 MBMYUCKXOJCKBE-UHFFFAOYSA-N 370.814 1.505 0 40 FDAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCc1ccccc1OC(F)(F)F 10850673 UAUXIVPJSAOFKQ-UHFFFAOYSA-N 374.344 1.975 0 40 FDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 45669794 IDBCFWHXEKCQPQ-HUUCEWRRSA-N 359.426 1.973 0 40 FDAB CC(=O)N[C@@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C(C)C 11586642 VOMLILTUBCTLJS-LJQANCHMSA-N 374.485 1.366 0 40 FDAB COc1ccc(CCNC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1 12932380 VBUKILADXSERHF-UHFFFAOYSA-N 368.441 1.623 0 40 FDAB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(CCC(=O)O)C2=O)cc1 3635911 NUIZNSVUQCQNRG-GFCCVEGCSA-N 352.368 1.771 0 40 FDAB CCOc1cc(-c2cc(=O)n3nc(C)c(=O)nc3s2)ccc1OC(C)=O 28527229 JZBCMIVRJTXWFB-UHFFFAOYSA-N 373.390 1.811 0 40 FDAB C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@@H]1O 67903609 UGXCXZZEKHRPJT-SNCWTZQQSA-N 368.470 1.505 0 40 FDAB biogenic,in-vitro CCc1ccc(N2C(=O)C[C@]3(CC(C(=O)OC)=NN3C(C)=O)C2=O)cc1 5024233 LHVWDQOJZDBOLL-GOSISDBHSA-N 357.366 1.032 0 40 FDAB Cn1c(NN)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 13815121 MFYXGINOQGFFJH-UHFFFAOYSA-N 369.212 1.074 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)NCCc1ccc2c(c1)OCO2 39983279 ZYIWPBJNDRAJLO-UHFFFAOYSA-N 368.389 1.890 0 40 FDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 4488073 DMJUSWODEUDYHQ-UHFFFAOYSA-N 354.472 1.931 0 40 FDAB COC(=O)c1cc(NCC(=O)NC(=O)NCC(F)(F)F)c(F)cc1F 65514652 WOWSBAKMWRHNEC-UHFFFAOYSA-N 369.246 1.551 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 14164644 LWCPGYCSGZJSOB-JTQLQIEISA-N 352.350 1.609 0 40 FDAB CCc1ccccc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O 4699527 IFYXBTCEYWEZRE-UHFFFAOYSA-N 356.488 1.946 0 40 FDAB CN(C)c1nc(N)nc(CSCC(=O)N2CCC(c3ccccc3)=N2)n1 8944534 YCZHJEMWWKUHOO-UHFFFAOYSA-N 371.470 1.390 0 40 FDAB CCN(C1CCN(CCC(=O)NCC2CCCCC2)CC1)S(C)(=O)=O 66883474 HRNZHYZBDFNWHC-UHFFFAOYSA-N 373.563 1.819 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306141667 WDHLPGIRJJOCMU-UONOGXRCSA-N 357.483 1.926 0 40 FDAB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(OC)c1 4939425 KOOFEADKLUWCHQ-CQSZACIVSA-N 373.361 1.398 0 40 FDAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)[C@H]1COCCO1 68124756 GHONZDUOJNLPHP-QGZVFWFLSA-N 367.877 1.384 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 7990281 VHIAJPSLGCKNJI-CQSZACIVSA-N 373.906 1.561 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCc1nc2ccsc2c(=O)[nH]1 8135632 KARBHOKDTPJMOY-UHFFFAOYSA-N 351.409 1.650 0 40 FDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95998003 NLWAOSFXYILNPS-ZDUSSCGKSA-N 362.455 1.540 0 40 FDAB Cn1nccc1N1CCC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)C1=O 555748150 JDZQAYSUOGAJTB-XGUBFFRZSA-N 371.441 1.511 0 40 FDAB CSCC[C@@H](C(=O)N=c1cc[nH]cc1)n1c(O)nc2ccccc2c1=O 524735391 ZJNBTMKAYQVLBH-HNNXBMFYSA-N 370.434 1.852 0 40 FDAB COc1ncccc1NC(=O)CCCn1c(O)nc2ccccc2c1=O 524734842 RDHSAOCPNHYKRO-UHFFFAOYSA-N 354.366 1.925 0 40 FDAB COc1cc([C@H]2c3c(C)n[nH]c3Nc3c2c(=O)n(C)c(=O)n3C)ccc1O 79494673 DQWBNTCEBBMAKO-ZDUSSCGKSA-N 369.381 1.067 0 40 FDAB CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(N2CCOCC2)n1 49411155 JVXUKHRDIQUYSS-UHFFFAOYSA-N 370.453 1.898 0 40 FDAB CN(C)CCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398308 FOYACLPOARQDOI-UHFFFAOYSA-N 352.373 1.807 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O 48401111 SNRJUUACLRUCGV-INIZCTEOSA-N 357.410 1.614 0 40 FDAB Cc1ccc(=Nc2cccc(C(=O)N=c3ccn([C@@H]4CCNC4)[nH]3)c2)[nH]n1 573919747 XFBSOSNUICMBAL-MRXNPFEDSA-N 363.425 1.356 0 40 FDAB O=C(Cc1ccccc1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514288987 MLTXFRRXKIMEBT-YQQAZPJKSA-N 354.397 1.205 0 40 FDAB biogenic,in-vitro O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1ccsc1 96240204 NLPFKDCTIGJTFV-SFHVURJKSA-N 359.451 1.778 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)C1CCOCC1)CC2)c1cnccn1 96051542 WSGOXMUDOFTINP-MRXNPFEDSA-N 358.442 1.404 0 40 FDAB Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 96286887 JLAIWFUYIJUREY-UHFFFAOYSA-N 366.462 1.683 0 40 FDAB Cc1cccc(CNC2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)n1 96075859 XKPKKHUSGZOLMB-UHFFFAOYSA-N 358.486 1.872 0 40 FDAB CN(C)C(=O)N[C@@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 583244787 RXDHCNNUXULQOT-CMPFZWEDSA-N 362.518 1.663 0 40 FDAB CN1CCN(C[C@@H]2CO[C@]3(CCCN(C(=O)Cc4ccccc4)C3)C2)CC1 96228469 MFSVLOWSCXGOAV-IFMALSPDSA-N 371.525 1.874 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(c1ncc(F)cn1)C2 248154371 VDDIXRLVAQKQKN-ZDUSSCGKSA-N 359.405 1.370 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Oc1ccc(F)cc1 257239703 HQKJSKRICNOHAJ-LRDDRELGSA-N 358.373 1.401 0 40 FDAB Cc1[nH]c2ccc(C(=O)N3CC[C@](O)(CN4CCOCC4)C3)cc2c1C 257234231 GSRWSABTOMOSFP-FQEVSTJZSA-N 357.454 1.694 0 40 FDAB Cc1cnc(C(=O)N2CCC(c3cncc(-c4cncn4C)n3)CC2)cn1 257280056 OJGPFQXNWDHHRO-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257255808 KIXUQIVQRURRPR-SFHVURJKSA-N 355.442 1.399 0 40 FDAB Cc1ccn(C[C@H](C)NC(=O)c2cn(C[C@@H](O)c3cccs3)nn2)n1 85470504 YCAGYQFHKFOPTH-GXTWGEPZSA-N 360.443 1.397 0 40 FDAB CO[C@H](C)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 268958301 XBJFEHCEGQOUBG-HUUCEWRRSA-N 355.504 1.136 0 40 FDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CC(Oc2ccncc2)C1 594169265 GKOGMHDOQWMGKN-IBGZPJMESA-N 365.433 1.905 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccnn1[C@H](C)CC(C)C 666676797 AEPIEWAPLUOTHK-JHJVBQTASA-N 358.464 1.424 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)c3c(C)nc4ccnn4c3C)C[C@@H](C)O2)o1 619284802 XDNABKZRQQXBSV-NOZJJQNGSA-N 356.386 1.640 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1 643430760 HYSYFYOGLNJTPF-JTQLQIEISA-N 351.302 1.029 0 40 FDAB Cc1ccccc1-c1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)n(C)n1 644379322 OZPNIIQIODKLDE-MRXNPFEDSA-N 356.426 1.707 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccnn3C)C2)o1 585112188 KYWOXDPRKKBXMD-HNNXBMFYSA-N 368.441 1.895 0 40 FDAB CC(=O)N1CCC(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 80070222 PTLFBWUMUYSSMA-IBGZPJMESA-N 371.481 1.861 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC2(OCCO)CCSCC2)cc1 888106879 ARWMCZGJVMUWOW-UHFFFAOYSA-N 373.496 1.442 0 40 FDAB Cn1nccc1[C@H]1C[C@@H](NC(=O)NCC(=O)NCc2ccccc2)CCO1 1672770259 NDNPWIPUQWCGLY-DOTOQJQBSA-N 371.441 1.256 0 40 FDAB Cn1cccc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161928 QSCGVJUSFQVMJO-QGZVFWFLSA-N 372.469 1.433 0 40 FDAB CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595076 UWCQNNWGEJANSE-NXWXRZEISA-N 368.518 1.369 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 5444398 VLIXPVZDBZWYJY-OWCLPIDISA-N 359.426 1.591 0 40 FDAB O=C(NCCCCCCNC(=O)Nc1ncccn1)Nc1ncccn1 5705263 XEFNZDAWINUBKP-UHFFFAOYSA-N 358.406 1.770 0 40 FDAB Cn1cc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cn1 12143374 KBROLHIFBNMBNH-IBGZPJMESA-N 366.469 1.558 0 40 FDAB O=C(c1cc(F)cc(F)c1)N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12144582 DZQOYNXFAQZMCJ-UHFFFAOYSA-N 360.364 1.847 0 40 FDAB CS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1 12602411 QWIUHMXLXYWALV-YTQUADARSA-N 363.527 1.304 0 40 FDAB biogenic,in-vitro O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1ccc2[nH]c(=O)[nH]c2c1 14405952 YLPODZRUAXJNJR-UHFFFAOYSA-N 363.337 1.084 0 40 FDAB O=S(=O)(N[C@H]1CCCC[C@H]1N1CCNCC1)c1ccc(Cl)cc1 19358881 KFCVGEQJNNKFAJ-JKSUJKDBSA-N 357.907 1.835 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 19932631 LFZUZXMOVGDNPH-QFQXCOSMSA-N 369.531 1.590 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 7451829 KPTNNYIFPAKURB-UHFFFAOYSA-N 369.425 1.542 0 40 FDAB CC(C)CN1C[C@H](c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)CC1=O 545043505 MZQXAIFTTQQJSS-CYBMUJFWSA-N 357.414 1.805 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cncn5C)C[C@H]4C3)n1)CCC2 1888866234 DGRCOCHXOAWERQ-ZIAGYGMSSA-N 352.442 1.216 0 40 FDAB Cn1ccc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)cc1=O 1888866503 WRTOPVOLMBFYGI-UHFFFAOYSA-N 365.481 1.864 0 40 FDAB CN(C)S(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888888489 ATSYJXDDFVCETL-HOTGVXAUSA-N 373.482 1.318 0 40 FDAB Cc1cnc(N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)nc1 1888908422 NUPYKLQSGJIZPZ-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3nc(C4CC4)cn3n2)cc1 1888983049 LLTIYYOWGQRMRK-UHFFFAOYSA-N 371.422 1.184 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 2056226757 ZDUCURBPUBQYPP-QFBILLFUSA-N 373.478 1.819 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)cn1 1565548665 HNBMIRYBHSAPEA-HXUWFJFHSA-N 373.453 1.124 0 40 FDAB O=C(NCc1ccco1)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565553152 MATAFUHISBDSTJ-UHFFFAOYSA-N 372.410 1.304 0 40 FDAB Cn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@H]2COCC1CC1 1565549370 VUPZQNLXJLLIQO-INIZCTEOSA-N 359.405 1.444 0 40 FDAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(C)CC3)ccc2c1=O 3906574 UVSDAHAOBRRCBS-UHFFFAOYSA-N 358.442 1.268 0 40 FDAB NC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374368 MBLSLNHECAKNLG-CYBMUJFWSA-N 364.833 1.352 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC(O)CC2)C3)[nH]1 2055746296 LBBKRINAMKSWNQ-INIZCTEOSA-N 362.474 1.186 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCNC(=O)C2)s1 49413145 MPVNFPYPDWCYQY-UHFFFAOYSA-N 351.453 1.794 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3cnn(C)c3)C2)cc1 613972160 WEUIXZZYQBWECF-AWEZNQCLSA-N 363.439 1.775 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(Br)o1 575607626 JCQVVERHQNSCRR-UHFFFAOYSA-N 352.188 1.518 0 40 FDAB NCC(=O)N1CCC(c2c(CN3CCOCC3)sc3ncccc23)CC1 72373405 ZKQQIOSMJIZOLH-UHFFFAOYSA-N 374.510 1.793 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCCC3)c2)c1 30012167 ITLRDHBLRABPDK-UHFFFAOYSA-N 374.466 1.520 0 40 FDAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1cccnc1-n1cncn1 40121482 HTIQVEMSZUEWAC-UHFFFAOYSA-N 364.365 1.867 0 40 FDAB CC(C)(C)N1CCC(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 40156028 BWXOCGQCHFUGII-UHFFFAOYSA-N 358.442 1.069 0 40 FDAB CC[C@@](C)(CNC(=O)c1cccnc1N1CCOCC1)N1CCOCC1 40117702 ZMKJHHPHHZQAAA-IBGZPJMESA-N 362.474 1.149 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)CN3C(=O)CCOc4ccccc43)C2)n1 40156338 OLEMQZFILDTBEL-AWEZNQCLSA-N 370.409 1.900 0 40 FDAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31611997 LRZHUSPQUMXRDV-KGLIPLIRSA-N 358.847 1.211 0 40 FDAB O=C1C[C@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)nc2N1 101109334 AWJLXRXORKHPHU-HZSPNIEDSA-N 365.393 1.889 0 40 FDAB O=C(c1ccccc1)N1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 101329431 FGMODOOUCMHIFJ-CALCHBBNSA-N 353.422 1.353 0 40 FDAB COCNc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1 20745584 RSFWTDKNVUIYOW-UHFFFAOYSA-N 361.406 1.154 0 40 FDAB COc1cc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)ccc1C 52431898 DXQQFGNKOHNBKL-UHFFFAOYSA-N 352.398 1.632 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)s1 32882437 RDXQQCADILZHLY-UHFFFAOYSA-N 369.468 1.397 0 40 FDAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N)n2Cc1ccccc1 820928 OUQLAJFIRCXZFD-UHFFFAOYSA-N 361.405 1.576 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccnc3ccnn23)C1=O 76640425 OMSVONMSGWUUGO-LBPRGKRZSA-N 351.366 1.872 0 40 FDAB COc1cccc2c1OC[C@@H](NC(=O)c1ccc3c(c1)[nH]c(=O)n3C)C2 77355969 RYEIFZPSOMCEJD-ZDUSSCGKSA-N 353.378 1.609 0 40 FDAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccccn1 33171817 ZDWOEZCXKSETKC-UHFFFAOYSA-N 367.434 1.980 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 7780969 IEEAMJCZWGMQQI-JTQLQIEISA-N 362.354 1.066 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)Cc2ccc(Cl)cc2)CC1 7784761 PRKWHMSANCUXJK-UHFFFAOYSA-N 368.817 1.726 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CSCC(=O)N1CCOCC1 47024169 PMYMYLXUEQDMIU-UHFFFAOYSA-N 366.483 1.390 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc1 104028302 RLPYJBUPQMDPNO-UHFFFAOYSA-N 353.791 1.489 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1ccc(C(=O)O)cc1 8392079 GJDXZZIJGHZVAJ-HUUCEWRRSA-N 356.378 1.342 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1c[nH]c2ccccc12 104279854 KSCZIIPJSOVNCQ-KRWDZBQOSA-N 364.409 1.694 0 40 FDAB O=C(Cc1ccccc1Cl)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635399 QCOPNVDAJBFEDJ-DOTOQJQBSA-N 352.862 1.736 0 40 FDAB Cn1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 24473248 BPRMBPGIKCRKSG-GFCCVEGCSA-N 354.366 1.447 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 34852231 PAHALEPBFDIZJU-CQSZACIVSA-N 369.462 1.143 0 40 FDAB CN(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccs1 25606413 CJVTZEPGPWETPS-HNNXBMFYSA-N 356.451 1.946 0 40 FDAB COc1ccc(CCNC(=O)Cc2n[nH]c(-c3ccncc3)n2)cc1OC 35326097 DBVLCLFQIVTDGJ-UHFFFAOYSA-N 367.409 1.785 0 40 FDAB biogenic O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1nc(-c2ccccc2)no1 103067412 MRUHJJJWMBZCJG-OKILXGFUSA-N 369.377 1.955 0 40 FDAB COC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3279713 XCUNJKPAERVZFN-UHFFFAOYSA-N 363.391 1.943 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@H]2C(=O)O)cc1 107214476 QGONOYXHPYQUDC-HOCLYGCPSA-N 352.456 1.697 0 40 FDAB O=C(OCc1nc2ccccc2s1)c1cn(CC(=O)N2CCCC2)nn1 58208690 BCWRYYXDSFPAJT-UHFFFAOYSA-N 371.422 1.867 0 40 FDAB O=C1NCCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@H]1c1ccccc1 58202837 NETMWQVCXWSICM-HNNXBMFYSA-N 352.362 1.827 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 58297317 JPDFJRRRVMBLFX-LLVKDONJSA-N 366.377 1.693 0 40 FDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 48288009 HPGOESLFVZHXHM-DLBZAZTESA-N 374.466 1.057 0 40 FDAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2ncccn2)n1 48277642 KCPJROKIALXINB-UHFFFAOYSA-N 363.853 1.998 0 40 FDAB COc1cc(C(=O)OCC(N)=O)cc(NC(=O)c2cccs2)c1OC 3318663 DENSDCSYWLBDQJ-UHFFFAOYSA-N 364.379 1.660 0 40 FDAB O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCNCC1 22920592 BWKNLYBQYPWXIR-OALUTQOASA-N 373.497 1.464 0 40 FDAB biogenic,in-vitro COc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 2348903 ZMBRMQPHUQPXRG-ZDUSSCGKSA-N 359.329 1.629 0 40 FDAB COc1cccc(C[C@@H](C(=O)N2CCC(N(C)C)CC2)n2nnnc2C)c1 48333379 MDMGCNMARVOPBO-SFHVURJKSA-N 372.473 1.327 0 40 FDAB COc1ccccc1CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 17845768 HQGCSKCWWOJSDW-UHFFFAOYSA-N 356.378 1.513 0 40 FDAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)O 12925147 LSGCTCHYQAFRQC-SNVBAGLBSA-N 374.846 1.718 0 40 FDAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1C 13041178 CFSRTFAVTOURHW-AWEZNQCLSA-N 358.442 1.327 0 40 FDAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)COC 22253067 MJDKIUWXRQMHDG-NSHDSACASA-N 374.459 1.254 0 40 FDAB O=c1cc(C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)[nH]c(=O)[nH]1 6541881 WQLRIPMVUQYWNL-CYBMUJFWSA-N 357.313 1.666 0 40 FDAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCO2 20152484 WBZCNMKBBPGTMF-UHFFFAOYSA-N 360.347 1.946 0 40 FDAB CCc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 9153903 MDPJIQCEFFLARX-CQSZACIVSA-N 363.439 1.353 0 40 FDAB Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCN3CCOCC3)nc21 15682346 WMQXQWOVDCMSAR-UHFFFAOYSA-N 371.420 1.990 0 40 FDAB CC(C)Cn1ccnc(N2CC(S(=O)(=O)Nc3ccccc3)C2)c1=O 96005010 PQOLUBRZIKMSJT-UHFFFAOYSA-N 362.455 1.530 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1 8021280 OWJQOMUGJVUNRL-UHFFFAOYSA-N 355.441 1.500 0 40 FDAB Nn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1C(F)(F)F 8071768 CRZRHGUIHZGTTB-UHFFFAOYSA-N 358.349 1.836 0 40 FDAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 8258734 ZZRNEDDTSHBDPY-NSHDSACASA-N 358.350 1.808 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[C@@H]1CSC[C@@H]1O 9575507 GDADARBDJPFRRR-FDGKGQQXSA-N 370.477 1.377 0 40 FDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccccn2)CC1 9547126 FZHYAEACZDNGGS-INIZCTEOSA-N 352.442 1.437 0 40 FDAB CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 95960995 UZHRWOUSQXYNOR-AAEUAGOBSA-N 353.444 1.358 0 40 FDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 95955406 QZTXKRVPUUCAQY-INIZCTEOSA-N 366.439 1.312 0 40 FDAB COc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1Cl 36182825 RXXILMVNFLZFMP-UHFFFAOYSA-N 362.820 1.959 0 40 FDAB Cc1nc(C)c(COC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 78446173 FJTPCQPKIRFEFG-CQSZACIVSA-N 358.423 1.923 0 40 FDAB Cc1ccc(CN(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 225783865 YVPASIKQHLMKMK-UHFFFAOYSA-N 356.488 1.688 0 40 FDAB NC(=O)COc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 44702439 SUUKZGFBYIRTQH-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1c1ccc(O)nn1 530074358 AMESKKOQHASTDQ-OAHLLOKOSA-N 351.370 1.064 0 40 FDAB CO[C@H]1CCN(C(=O)c2ncccn2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96218810 XOWWLYBZYMPHDP-BBWFWOEESA-N 353.426 1.233 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccncc4)CC3)[C@@H]1CN(C)C2 96262414 SIXBKVODGRQJEO-OXJNMPFZSA-N 371.485 1.784 0 40 FDAB Cc1nccn1CC(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257239901 HRHOWNZKDGZRNG-FQEVSTJZSA-N 354.454 1.213 0 40 FDAB CC1(C)COC(=O)N1c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257215112 COSXGMHZSOVFAZ-NSHDSACASA-N 354.432 1.351 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@@H](c2cncc(-c3cncn3C)n2)C1 257200150 ACEVTQKBMWRTBF-CQSZACIVSA-N 363.425 1.995 0 40 FDAB Cn1ncc2ccc([C@@H]3CCCN(S(=O)(=O)c4cccnc4)C3)nc21 257269871 MRSKNQIKSBYNDC-CQSZACIVSA-N 357.439 1.932 0 40 FDAB Cn1c(CN2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)nc2ccccc21 257286861 PNJGWTMERVQWHY-IUODEOHRSA-N 357.439 1.005 0 40 FDAB Fc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 545346305 CBAVRFHBSVYIPX-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)NC[C@@H]1CCCCCN1 1262579475 QULGGZAMTCHACS-ROUUACIJSA-N 358.486 1.867 0 40 FDAB Cc1nn(C)c2nc(-c3ccncc3)nc(N3CCC(=O)NC[C@H]3C)c12 72417754 SZIBGELHJBPZLJ-LLVKDONJSA-N 351.414 1.449 0 40 FDAB COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2C)n1 489040076 LEEXOWMPTNHVBV-LLVKDONJSA-N 353.400 1.898 0 40 FDAB O=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 585124135 OZKOQMVJKKLPOV-BLLLJJGKSA-N 355.460 1.351 0 40 FDAB O=C(NCC1(OCCO)CCSCC1)c1ccc2nsnc2c1 828765402 MQINFOOPYJVJTK-UHFFFAOYSA-N 353.469 1.696 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)Nc1cnc(C(C)(C)C)nc1 1615554987 ZRYAHLBRKJVIQY-UHFFFAOYSA-N 359.434 1.602 0 40 FDAB CN1OC2(CC1=O)CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 1549168696 XYPBFZOQAPFEMS-UHFFFAOYSA-N 366.317 1.122 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)NC1=S 8091974 UWQYUPGCHULENE-WTKPLQERSA-N 361.206 1.930 0 40 FDAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)Cn2ccnc2)C1 12221928 ZQRLTFWCMZLVHS-HNNXBMFYSA-N 363.421 1.936 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1Cl)N(C)C 12239209 YHOSSHUEJNEGOZ-CQSZACIVSA-N 356.879 1.963 0 40 FDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 12536438 FSKIVBDNRPKDBH-UHFFFAOYSA-N 373.478 1.615 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19238241 XTPCSRBGJRJQMX-HNNXBMFYSA-N 368.485 1.937 0 40 FDAB CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCC3)CC1)C2=O 19699536 WLFYQXCDSADTLR-UHFFFAOYSA-N 362.474 1.184 0 40 FDAB Cc1cccc(CNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)n1 19749483 YKFQQAKHYFNTLF-UHFFFAOYSA-N 350.382 1.550 0 40 FDAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c(c1=O)S[C@H](C)C2 4107904 XKCFORHLNNZAMP-GHMZBOCLSA-N 369.512 1.687 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)c3cccs3)CC2)C1=O 244983860 IUEQNJYCJUDZFA-UHFFFAOYSA-N 351.428 1.263 0 40 FDAB Cc1cnc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)s1 10626856 MZLSUZZKFCVYFZ-UHFFFAOYSA-N 350.425 1.519 0 40 FDAB Cc1c(NC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 2021980 URWSDMBJVGVIQC-UHFFFAOYSA-N 364.405 1.853 0 40 FDAB COCc1nsc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)n1 1888869963 VUZMRVOUTRJPIB-STQMWFEESA-N 358.471 1.925 0 40 FDAB COc1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888890833 ZPKRZTGKIOKVQU-GFCCVEGCSA-N 367.413 1.706 0 40 FDAB Oc1cc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)nc(O)n1 1565519565 UDZUTEJDNRTAMX-UHFFFAOYSA-N 353.386 1.135 0 40 FDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl 2451540 RMJGVFYBEIBVDZ-LLVKDONJSA-N 367.254 1.871 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N(C)C)cc1F 11897918 LRTNIERKAXSEPQ-HNNXBMFYSA-N 355.435 1.754 0 40 FDAB O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 12069450 VXGVUKPYJOLOBX-UHFFFAOYSA-N 366.465 1.954 0 40 FDAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 2055822679 AMMQNDLIIMGTLB-OQOZKDDRSA-N 373.497 1.540 0 40 FDAB CN(c1ncncc1F)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593305 AFGJYCBKUXQLQO-UHFFFAOYSA-N 354.393 1.646 0 40 FDAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(c5ncccn5)C[C@H]4C3)ncn2)n1 585613827 CNBLZALKKLDNQN-HZPDHXFCSA-N 362.441 1.642 0 40 FDAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1 32917494 GORZILZTPWXYJZ-UHFFFAOYSA-N 353.400 1.705 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2cccs2)C[C@@H](C)O1 32914953 OLLCBJBIOHZFFW-BETUJISGSA-N 360.501 1.236 0 40 FDAB CCOC(=O)Cc1cc(=O)n2nc(COC)c(-c3ccc(OC)cc3)c2[nH]1 100237495 WMPIHOACVZQXKP-UHFFFAOYSA-N 371.393 1.950 0 40 FDAB COCCCN1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]2C1=O 100219240 ZPFJIQHGBMTWFK-AAEUAGOBSA-N 367.199 1.574 0 40 FDAB O=C1Oc2cc(O)ccc2[C@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 102000996 XLLALKBLIJIEGD-NQMVMOMDSA-N 351.361 1.368 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCC(=O)c1ccc(F)cc1 102081185 SCFSYXWTXWATKA-SYWGBEHUSA-N 357.337 1.359 0 40 FDAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)c1cn(C)c2ccccc12 102572476 LDALGJBARWHLPH-LRDDRELGSA-N 373.434 1.382 0 40 FDAB O=C(CN1CCOc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 76676352 PJBWMOGLFHNIMK-UHFFFAOYSA-N 357.454 1.746 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 3906501 IGDJUVKHKVQMQL-OWSLCNJRSA-N 356.422 1.606 0 40 FDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 4999829 FKLDIARPYQXRHU-CYBMUJFWSA-N 355.394 1.719 0 40 FDAB CN(C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 22461771 WEIOWKFIXCOMGF-FGTMMUONSA-N 371.481 1.971 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1 23042748 YUJAMJKROHOORI-NSHDSACASA-N 360.863 1.936 0 40 FDAB COC(=O)c1c(NC(=O)C[C@H]2SC3=NCCN3C2=O)sc(C)c1C 61719706 YOGLGPYMMLAKAN-SECBINFHSA-N 367.452 1.794 0 40 FDAB Cn1c(=O)c2c(nc(SCc3ccc(Cl)cc3)n2C)n(C)c1=O 1061932 WYVAFDXXXLTIGO-UHFFFAOYSA-N 350.831 1.916 0 40 FDAB biogenic Cn1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc(=O)n(C)c1=O 27980063 FLILRKIHMRVONN-UHFFFAOYSA-N 373.340 1.647 0 40 FDAB CCOC(=O)N1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 34871915 MCCUJXUQXFUSHM-CYBMUJFWSA-N 365.430 1.763 0 40 FDAB CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 25266548 MIFDKGGNTSXQIB-NSHDSACASA-N 360.483 1.774 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NOCc3ccccc3)cnc21 25286838 FVLYGXNDKZECHN-UHFFFAOYSA-N 354.366 1.356 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1 25717296 AAROQRWKEFRJNN-LLVKDONJSA-N 356.444 1.445 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Cl)c1 35310676 RIOKBOJAFMYALU-INIZCTEOSA-N 365.861 1.910 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccn2)S(C)(=O)=O)cc1 20239261 OTPLZUNJLPUNIE-ZDUSSCGKSA-N 363.439 1.561 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 10083642 VOXCXUHEFTWVTP-UHFFFAOYSA-N 362.349 1.112 0 40 FDAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 58180290 TXYAAWVNVGEISZ-SNVBAGLBSA-N 361.225 1.736 0 40 FDAB CCOC(=O)[C@H](CNC(=O)CNC(=O)C1CCCC1)Cc1ccccc1 58202772 UTORWABTXHFWEY-KRWDZBQOSA-N 360.454 1.831 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 10578397 NUQPIKWYHIFMSA-LJQANCHMSA-N 366.377 1.683 0 40 FDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccncc2)n1 36359885 CAUDTGWHXGQDPY-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB O=c1c2ccccc2nnn1CSc1nnnn1CCc1cccs1 10854540 HYYNWVLJQYZDPZ-UHFFFAOYSA-N 371.451 1.832 0 40 FDAB O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCc2sccc2C1 10924843 PMCPVSDKNNHPPL-UHFFFAOYSA-N 355.419 1.998 0 40 FDAB O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11055155 HAJMAYPKTCFONR-UHFFFAOYSA-N 370.431 1.717 0 40 FDAB Cc1ccc(-c2nnn(CCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 11204741 SPLWJGDMWWBQBH-UHFFFAOYSA-N 369.406 1.493 0 40 FDAB CN1CCN(c2cc(CNC(=O)Cc3noc4ccccc34)ccn2)CC1 48335926 WKCBJVQFUZBHBB-UHFFFAOYSA-N 365.437 1.834 0 40 FDAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2c(c1)CCCC2 11671877 CWYZBHADVWXMSG-CYBMUJFWSA-N 365.437 1.886 0 40 FDAB CC(=O)Nc1ccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 12868914 BYKNEWALUUANRX-UHFFFAOYSA-N 365.345 1.921 0 40 FDAB CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 13000877 JYOCRMKVXWZCOF-OAHLLOKOSA-N 350.371 1.528 0 40 FDAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38834257 HILRJARLKXBAAA-MRXNPFEDSA-N 362.407 1.861 0 40 FDAB O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCOCC1 13688668 FJDLPKQVAOBKLX-UHFFFAOYSA-N 366.849 1.348 0 40 FDAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)NC(=O)NCc1ccccc1 14197573 YPWMQZRWIFMBRD-NSHDSACASA-N 362.459 1.935 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 14110820 GQOZLQUBHWIQJU-UHFFFAOYSA-N 365.499 1.395 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCn2cccc2[C@@H]1C 14186938 XLJSJRGPGNTNKP-HNNXBMFYSA-N 370.453 1.937 0 40 FDAB COC(=O)N1C[C@H](NCCCc2ccccc2)[C@H](O)CN1C(=O)OC 4863012 LRCGOYJUWYBPGW-LSDHHAIUSA-N 351.403 1.004 0 40 FDAB Cc1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1C1CCCCC1 5865511 HZZBVSPDLUZBLX-GFCCVEGCSA-N 372.516 1.487 0 40 FDAB CCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)n[nH]c1=O 5966043 SWTSWHWWLZOXHA-UHFFFAOYSA-N 366.443 1.407 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1 67815978 DOOKSUCJJDBSRT-SNVBAGLBSA-N 355.847 1.975 0 40 FDAB COC(=O)CCCNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 16339478 WESCLQBSTGONOG-HNNXBMFYSA-N 362.426 1.664 0 40 FDAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 8131823 VYZLUOUMERSBGZ-CYBMUJFWSA-N 367.471 1.101 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 16802890 KRJOIPCMDBUXDS-OCCSQVGLSA-N 362.455 1.396 0 40 FDAB CCOCc1ccc(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 84802770 WEHOGIDSDIXDAB-UHFFFAOYSA-N 373.457 1.236 0 40 FDAB CCN(C(=O)CN1CCN(Cc2nc(C)no2)CC1)c1ccccc1C 95949323 LVDCCXLVPPBUCR-UHFFFAOYSA-N 357.458 1.857 0 40 FDAB CS[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H]1N1CCCC1 95939748 XPMGTLBYDPPXAO-JKSUJKDBSA-N 363.483 1.203 0 40 FDAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCNC(=O)C2)nc1 23381108 YDLUXOKUQMCEHL-UHFFFAOYSA-N 360.439 1.233 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 89635019 VKQSRXCLUBIDII-HIFRSBDPSA-N 363.483 1.827 0 40 FDAB Cc1ccccc1OC[C@H](O)CN1CCC(N2CCn3ccnc3C2)CC1 89696699 SVQOZZFNXNPCRT-LJQANCHMSA-N 370.497 1.911 0 40 FDAB Cc1cc(C)c2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1 20634454 YIWDQIDNVIRJMA-UHFFFAOYSA-N 368.489 1.306 0 40 FDAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(N)(=O)=O 29513026 JSGLSIPUOXKQPF-JTQLQIEISA-N 352.387 1.973 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)N2CC(F)(F)C2)C1 306125868 DEDPQHNLDODHLK-CQSZACIVSA-N 363.368 1.321 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccc(C(=O)OC)cc2)C1=O 36636256 XIZWZFKNWGBWTR-WQLSENKSSA-N 364.379 1.985 0 40 FDAB O=C(NCCCn1ccnc1)c1c(-n2cnnn2)sc2c1CCCC2 524733604 XZZHDIMMKBMALA-UHFFFAOYSA-N 357.443 1.619 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)N[C@H]1CCS(=O)(=O)C1 32097392 ZKERLKADBQUIFE-AWEZNQCLSA-N 374.422 1.643 0 40 FDAB O=C(Nc1cn[nH]c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 30664021 DNVXINCPZDITQJ-UHFFFAOYSA-N 374.466 1.938 0 40 FDAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3cc[nH]n3)nc2)CC1 72374439 BROICGIKVGYCOL-KRWDZBQOSA-N 368.441 1.170 0 40 FDAB CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326635 HRMDKELYZWLIOK-BFUOFWGJSA-N 359.426 1.431 0 40 FDAB CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)COC[C@@H]1CCCO1)C2 72390826 GBGBTDLPZNTFDM-DOTOQJQBSA-N 360.458 1.324 0 40 FDAB CN(C)C(=O)c1ccc(C2CCN(CC(=O)Nc3ccccn3)CC2)nc1 72374401 PTZZSHZFSHZSIZ-UHFFFAOYSA-N 367.453 1.997 0 40 FDAB CC(C)CN1C[C@@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O 40087029 XPKHWUKZLMJNGD-SFHVURJKSA-N 372.513 1.429 0 40 FDAB Cc1ccc2c(CCNC(=O)N3CCOC[C@H]3c3nc[nH]n3)cn(C)c2c1 576243116 AQQUGDSMVUJPMV-KRWDZBQOSA-N 368.441 1.930 0 40 FDAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc2c(c1)OCCO2 85879375 LOOJOGSCKXITCU-ZBFHGGJFSA-N 366.417 1.922 0 40 FDAB biogenic O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)c1ccno1 96206137 IDSDONOUOBYDPH-MJGOQNOKSA-N 356.426 1.871 0 40 FDAB Cc1c[nH]c(-c2nccnc2C2CCN(S(=O)(=O)N(C)C)CC2)n1 257334752 YHGHNXGYFIIYOL-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252527489 CRAYRWKZFBPTLP-HDJSIYSDSA-N 365.459 1.495 0 40 FDAB CNC(=O)c1cnn2c(C3CCN(Cc4cncs4)CC3)ccnc12 257337438 YSTPMQXCGREIID-UHFFFAOYSA-N 356.455 1.925 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@@H](Cc2cncc(-c3nccn3C)n2)C1 257308952 TYXDNEQFIVMBBO-AWEZNQCLSA-N 363.425 1.680 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)c4ccncc4)C3)ccnc12 257202890 ANVFKJGZNLQSNN-ZDUSSCGKSA-N 350.382 1.114 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1noc2c1CCCC2 257241081 HWMWJTSWAOTHGQ-GOSISDBHSA-N 357.414 1.057 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cn1C 269334131 CYCWHNWPUHYXNQ-USXIJHARSA-N 359.451 1.391 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(CCN3CCCCC3)nn2)CC1 641048131 XIXNZHHFIIOSPA-UHFFFAOYSA-N 362.522 1.296 0 40 FDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2ncnc2C1 644435574 QTFHRZPMLRCYIQ-IBGZPJMESA-N 355.442 1.038 0 40 FDAB CCCn1nc(-c2nnc3n2CC[C@H](C(=O)OC)C3)c2ccccc2c1=O 601043483 BHKLFRCWKVHNGQ-LBPRGKRZSA-N 367.409 1.800 0 40 FDAB O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc2c(c1)CCO2 96098837 QHYKNPJEPCRZEL-UHFFFAOYSA-N 370.434 1.859 0 40 FDAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)c3c(F)cccc3F)ccc21 96362661 LAPPRFMEBGKOSA-INIZCTEOSA-N 368.405 1.969 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(F)c(F)c2)C1 299207834 AXBUFMQWPIDRHE-LBPRGKRZSA-N 361.414 1.436 0 40 FDAB CCc1cc(N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)n2ncnc2n1 585088452 XXRVDBLERIXILK-ZDUSSCGKSA-N 370.417 1.371 0 40 FDAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1ccc(F)cc1 585282138 HOFKQOJTRWKQPK-HKUYNNGSSA-N 353.434 1.697 0 40 FDAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(N)=O)ccc1F 5588434 FCROSZTZUSWJHU-UHFFFAOYSA-N 366.370 1.577 0 40 FDAB N[C@H](CC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 5685281 TYQCYIMUPKUWIN-MRXNPFEDSA-N 354.362 1.854 0 40 FDAB CCn1ncc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C 12120708 LSAVGRMTPHUKRA-UHFFFAOYSA-N 350.426 1.915 0 40 FDAB C[C@H](Cc1ccccn1)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 19457048 LQFNIMDFTVXGNV-CYBMUJFWSA-N 373.434 1.364 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)C(=O)O1 19460938 USVGJAUHMFYRSI-CJNGLKHVSA-N 372.469 1.908 0 40 FDAB CCN(C(C)=O)[C@@H]1CN(S(=O)(=O)N2CCCC2)C2(CCCCC2)C1 19703820 JRPBTPLVGKUWBA-INIZCTEOSA-N 357.520 1.973 0 40 FDAB CC1(C)CN(S(=O)(=O)N2CCc3cc(F)cc(C(=O)O)c3C2)CCO1 656520484 OGWKAODIQGSTNA-UHFFFAOYSA-N 372.418 1.238 0 40 FDAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 390832519 ZXBPEIGHXZWSLL-UHFFFAOYSA-N 367.471 1.293 0 40 FDAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(=O)(=O)N3CCCC3)C2)nn1 1888876400 APGHAXUWIBKSPU-AWEZNQCLSA-N 368.503 1.815 0 40 FDAB Cc1ccc(N2CC(N(C)C(=O)c3nnc(O)c4ccccc34)C2)nn1 1888888253 ZIEKSJZRPREKHJ-UHFFFAOYSA-N 350.382 1.395 0 40 FDAB NC(=O)c1cc(I)c(Br)c(F)c1N 1857522957 UGGBZCUXUAIHRO-UHFFFAOYSA-N 358.936 1.874 0 40 FDAB Cc1cc(C(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)nc2nc(O)nc(O)c12 1300778826 AYPUBENBRONHRJ-YPMLDQLKSA-N 371.397 1.570 0 40 FDAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)C4=CC=NC(=O)C4)C3)C2)n1 2056224262 OETXSYMLYHSFKS-HXUWFJFHSA-N 367.453 1.922 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)Cn4ccccc4=O)C[C@H]3C2)cs1 1565542899 BSTYIELKKFFMSE-GASCZTMLSA-N 358.467 1.204 0 40 FDAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)cn1 2055750695 QTVHAQYZFANJJF-OALUTQOASA-N 370.453 1.974 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(F)cc2C)CC1 2055746126 OGBTZPOIXSMMRP-UHFFFAOYSA-N 373.432 1.122 0 40 FDAB Cc1cc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)on1 38479361 BOMNWKCVXFHOTO-UHFFFAOYSA-N 354.322 1.574 0 40 FDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)NC[C@@H]3CCCO3)cc21 225549963 HDKQXLLJKVOAAS-AWEZNQCLSA-N 353.444 1.699 0 40 FDAB O=C(N[C@H]1C[C@H]2C(=O)Nc3cc(Cl)ccc3C(=O)N2C1)c1cccnc1 8297014 ROSWVAREGYOVEI-WFASDCNBSA-N 370.796 1.700 0 40 FDAB biogenic,in-vitro CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 40098156 SAZWMTPOFVNBAP-UHFFFAOYSA-N 366.487 1.521 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 40005286 BCSWPSBOLVEACU-AWEZNQCLSA-N 368.430 1.112 0 40 FDAB C[C@H](NC(=O)[C@@H](C)OC(=O)CCCN1C(=O)CNC1=O)c1ccccc1 40159179 SVCXUJHQYKGSQF-QWHCGFSZSA-N 361.398 1.128 0 40 FDAB COCCCN1C(=O)[C@H]2C(c3ccc(Br)cc3)=NO[C@H]2C1=O 100219245 ZPFJIQHGBMTWFK-WCQYABFASA-N 367.199 1.574 0 40 FDAB Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102275309 ZKDGSNOLRICWTG-GASCZTMLSA-N 372.421 1.960 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C)O1 21526037 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KLRIRISYNSYJNW-SNVBAGLBSA-N 366.588 1.737 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cnn(C)c2)cc1 23796327 SFMSXAJHWVFUAC-CYBMUJFWSA-N 364.471 1.942 0 40 FDAB NC(=O)CNC(=O)c1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 59854684 QPXZOBQXXBVAAY-UHFFFAOYSA-N 366.421 1.170 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 9547603 LVIJWHVONNVWCP-IRXDYDNUSA-N 366.417 1.991 0 40 FDAB COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)O)Cn2ccnc23)cc1 105983093 LUQAMCAAEPFYDV-INIZCTEOSA-N 357.410 1.866 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC(C)(C)C)CC2)cc1 25426765 HICCTMSLTLSTSQ-INIZCTEOSA-N 370.515 1.477 0 40 FDAB c1cnc(N2CCN3CCCC[C@@H]3C2)c(N2CCN3CCCC[C@H]3C2)n1 108173699 UNSIANNRJHXUCD-HDICACEKSA-N 356.518 1.826 0 40 FDAB Cc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(Nc2cccc(F)c2)n1 57506135 QFEKVXXSDICMSL-OAHLLOKOSA-N 360.389 1.730 0 40 FDAB CCCn1c(N)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)[nH]c1=O 58124266 CVQLZPGZZNLCNT-UHFFFAOYSA-N 368.437 1.501 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C 36056159 SIUXWRARQLHTFJ-OAHLLOKOSA-N 365.499 1.277 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 58214144 PXVUNCIEALPKIG-UHFFFAOYSA-N 374.348 1.450 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(F)cc1 3355101 UBEPTTRYSZHDJG-NSHDSACASA-N 361.398 1.569 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1nc2ccccc2n1-c1ccccc1 58329914 YUDCAMSZPBPVNV-UHFFFAOYSA-N 361.361 1.514 0 40 FDAB Cc1noc(CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 58469701 DTXAZJCTFNJDBF-UHFFFAOYSA-N 355.442 1.475 0 40 FDAB CN1C(=O)c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cc2C1=O 29166251 AWLCTVSFYZNNJZ-UHFFFAOYSA-N 373.390 1.536 0 40 FDAB COc1cc2ncn(CC(=O)NCc3ccccc3)c(=O)c2cc1OC 20722673 ASWTYDOKJBIGQB-UHFFFAOYSA-N 353.378 1.730 0 40 FDAB Cc1c(C(=O)Nc2nc(CC(N)=O)cs2)sc2ncn(C)c(=O)c12 12806357 BVBOVIBLXOGWIT-UHFFFAOYSA-N 363.424 1.040 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCN(CCn2cccn2)CC1 49983270 FRFARMPMRZYLRY-UHFFFAOYSA-N 360.892 1.605 0 40 FDAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccccc1 6385718 AHTYRFBBISNDKJ-ZDUSSCGKSA-N 365.389 1.714 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)c(OC)c1 5392102 KWSBQPKXHLZCCN-UHFFFAOYSA-N 364.383 1.398 0 40 FDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2c(=O)[nH]1 6465711 WFJKYMLWRZBJHK-NSHDSACASA-N 362.349 1.817 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N3CCS[C@H]3c3ccccc3F)cnc21 14138909 QYZSFSRFVKJVSL-KRWDZBQOSA-N 373.413 1.543 0 40 FDAB O=C1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCN1 14168148 QQNXIGDYYUMUAO-UHFFFAOYSA-N 356.348 1.275 0 40 FDAB COc1ccccc1CNc1nc(-c2cccnc2)nn1S(C)(=O)=O 4732613 JILIUJWAWIXIBP-UHFFFAOYSA-N 359.411 1.769 0 40 FDAB Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(N)=O)c(=O)c1CCO 67301423 RGDROMXXGCZPLN-UHFFFAOYSA-N 355.316 1.258 0 40 FDAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 7676043 GLQFJHBQPKQCBS-NSHDSACASA-N 369.381 1.885 0 40 FDAB CNS(=O)(=O)c1cc(NC(=O)c2ccccc2-n2cnnn2)ccc1C 9336488 IZDIXKLSRNRJFD-UHFFFAOYSA-N 372.410 1.131 0 40 FDAB CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 16639706 IWBPAICRPILHIY-UHFFFAOYSA-N 365.455 1.698 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2NC1=O 8133185 CMCSPMRKFNXORZ-SNVBAGLBSA-N 372.381 1.209 0 40 FDAB CN(C)Cc1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)no1 95456891 NIJWMNKPALFHPJ-UHFFFAOYSA-N 350.463 1.501 0 40 FDAB COC(=O)c1nc(NC(=O)CCn2c(C)cc(O)cc2=O)sc1C 95479735 MYVKMUXDMHFBFI-UHFFFAOYSA-N 351.384 1.443 0 40 FDAB CC(C)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CCO1 95994536 AWYMXGLFBJJQDL-JSGCOSHPSA-N 358.435 1.376 0 40 FDAB C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)OCC(=O)NC(N)=O 95962728 JRTQQFFZWAUDCM-QMMMGPOBSA-N 371.187 1.396 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2O)C1=O)NC[C@@H]1CCCO1 409218628 WMOBVJSIKOUXDD-QENILXLESA-N 362.407 1.724 0 40 FDAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCC(=O)N(C)[C@@H]3c3cnn(C)c3)cc12 176183423 APAYEZLBQDYZGG-CZUORRHYSA-N 367.413 1.548 0 40 FDAB Cc1noc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](O)C2)c[nH]1 521396894 SKLUVPJTHRQRNS-LLVKDONJSA-N 368.415 1.017 0 40 FDAB N[C@]1(C(=O)O)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218160075 TWTUOGGRWFLNNV-HLLBOEOZSA-N 361.375 1.137 0 40 FDAB O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 35289646 ZUTRIGPSUDBJRC-UHFFFAOYSA-N 363.373 1.747 0 40 FDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218206764 KNHZHRMPRMFWBY-GMXVVIOVSA-N 363.229 1.413 0 40 FDAB Cn1cc(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)nn1 70638553 SHEWZWNSOCPPOL-UHFFFAOYSA-N 358.383 1.315 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 34862946 KOSFCNDKMPLCEK-BVIHXZOGSA-N 364.423 1.446 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 30495712 NAIPXDRVCICFDQ-UHFFFAOYSA-N 374.462 1.964 0 40 FDAB COc1ccccc1N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 72348169 KHQKUNHEHGEOGM-UHFFFAOYSA-N 369.469 1.644 0 40 FDAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)[C@@H]1CCOC1 563200386 HXPDLFCAPVGOBP-BXKDBHETSA-N 358.188 1.434 0 40 FDAB C[C@@H](Oc1ccc(NC(=O)c2noc3c2COCC3)cc1F)C(=O)O 527599301 WVWRFUTYURSWBN-MRVPVSSYSA-N 350.302 1.991 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 10923573 WTSOOPCJPVOIRY-UHFFFAOYSA-N 356.382 1.070 0 40 FDAB CS(=O)(=O)N[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 225950290 ZWCMBPKCOWLDBH-KGLIPLIRSA-N 360.863 1.616 0 40 FDAB CC(C)NC(=O)CN1CCCN(C(=O)Cc2ccccc2Cl)CC1 47638056 COJRIBGSVPIMLO-UHFFFAOYSA-N 351.878 1.941 0 40 FDAB C[C@@H](Sc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12)C(=O)O 85397315 NGAOHHBDNSFCFQ-SECBINFHSA-N 369.410 1.670 0 40 FDAB CCc1cnc(N2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)nc1 96249796 DSGPLYHWDRXMGH-IAGOWNOFSA-N 354.458 1.869 0 40 FDAB COc1ccc(CN2CCO[C@]3(COCCN(CCN(C)C)C3)C2)cc1 96049780 UFOFTTRBRLAMID-FQEVSTJZSA-N 363.502 1.160 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)O1 96208402 YXEPWNGFSMIVPW-NVXWUHKLSA-N 352.456 1.390 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccoc3)CC2)CN1Cc1ccccn1 96159109 WXSGLPBQSFLIRV-UHFFFAOYSA-N 355.394 1.708 0 40 FDAB O=C(c1ccccn1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96059588 WSNNPOOCPCXZOF-UHFFFAOYSA-N 353.426 1.280 0 40 FDAB COc1cc(N2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)ncn1 96207790 LPCHFDZKGOWPJM-BEFAXECRSA-N 354.410 1.368 0 40 FDAB CC(C)NC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C)n2c1 96156611 PFLSYIMKIPGLFI-MRXNPFEDSA-N 356.474 1.566 0 40 FDAB CN1C[C@@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)C1=O 96161384 ASMFKANHLCLVHP-KRWDZBQOSA-N 357.454 1.777 0 40 FDAB COc1cc(N2C[C@@H](C)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)ncn1 247888033 LMSKSNJNBCZOSL-AUUYWEPGSA-N 353.426 1.755 0 40 FDAB Cn1cc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cn1 248160557 XKUHDPMHWDALEV-HNNXBMFYSA-N 351.472 1.563 0 40 FDAB C[C@@H]1[C@@H](N2CN=C(NS(=O)(=O)c3ccccc3)NC2)CCC[C@H]1C 253560718 BDSNBSMJDVWFJQ-YCPHGPKFSA-N 350.488 1.966 0 40 FDAB O=C(c1csc2c1CCCC2)N1CC[C@@](O)(CN2CCOCC2)C1 257259151 KXCIAUXMJARUTR-GOSISDBHSA-N 350.484 1.536 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1OC 257265304 LYCRHMNFZQOJEF-DYVFJYSZSA-N 358.398 1.613 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257334916 YHVQRBOZBBKBHF-HNNXBMFYSA-N 356.430 1.454 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N(C)C)[C@@H]1c1ccc(OC)c(OC)c1 257330065 XMQFJOBNGVMSTC-DYVFJYSZSA-N 350.415 1.328 0 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1.983 0 40 FDAB CCn1c(CC2CCNCC2)nn(Cc2nc(-c3ccncc3)no2)c1=O 65387279 ZTAOMKXGPHFFNN-UHFFFAOYSA-N 369.429 1.100 0 40 FDAB Cc1csc([C@@H]2CCCN(C(=O)CCn3cnc4c(N)ncnc43)C2)n1 669293312 RVWMUIFQGRJGRR-GFCCVEGCSA-N 371.470 1.970 0 40 FDAB CCc1nc(C)cc(N2CC[C@]3(NC(=O)[C@@H]4[C@H]5COC[C@H]54)CCC[C@@H]23)n1 1615611437 LWBLZMDJEAZEEY-SVEVEQSESA-N 356.470 1.857 0 40 FDAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCc1ccc(O)cc1 96031977 VZWXNOBHWODXCW-VYDXJSESSA-N 363.483 1.777 0 40 FDAB biogenic CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 575405067 RHLRUJLLDBDLBP-QZTJIDSGSA-N 359.470 1.558 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cn3nc(C)nc3C)CCO2)cc1 585277150 FYLHEEFZEWROIL-IBGZPJMESA-N 358.442 1.036 0 40 FDAB CCN(CC)CCOc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 56380466 HXPXAPXLACBYAU-GOSISDBHSA-N 368.499 1.714 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1540348201 PFNNCJZZWLPKKM-INIZCTEOSA-N 357.410 1.275 0 40 FDAB COc1ccc(Br)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 85436806 LYCAHGMWCXBROZ-LLVKDONJSA-N 357.248 1.596 0 40 FDAB Cc1cc(=O)c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cn1C 550162815 IESKFSHTJYTNDC-UHFFFAOYSA-N 353.422 1.746 0 40 FDAB Cc1nc(C)c(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1 585322696 ZIAZVPGUOUZTID-UHFFFAOYSA-N 368.484 1.572 0 40 FDAB CSc1ncc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1 12203513 WKWXHBQFIJVLCF-UHFFFAOYSA-N 358.423 1.923 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1 12228358 ZORSMBHGWDZPSS-UHFFFAOYSA-N 373.438 1.930 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 12407434 SDDXJPPNLDDEHE-CQSZACIVSA-N 360.410 1.460 0 40 FDAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccnc1 15935374 WPHYWWUHUQPLIR-UHFFFAOYSA-N 363.414 1.804 0 40 FDAB CN[C@@H](ON1C(=O)[C@H](O)Oc2cc(OC)ccc21)C(Cl)(Cl)Cl 16189375 IXBJXWSSEQIOEE-MNOVXSKESA-N 371.604 1.586 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 17005649 AODPIQQILQLWGS-DUWWVACGSA-N 366.498 1.653 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccnn4C)[C@H]3C2)cc1 19211874 HAIORKIRAUUISL-KBMXLJTQSA-N 374.466 1.168 0 40 FDAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3C(=O)c3cccc(F)c3)c2[nH]1 19286505 FYPJGUFGGQUYIY-CYBMUJFWSA-N 356.361 1.267 0 40 FDAB CC1CCN(CCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 19496905 YNXFQQSSTDGVFD-UHFFFAOYSA-N 365.861 1.914 0 40 FDAB CCN1CCN(CCNC(=O)c2cn([C@@H](C)c3ccccc3F)nn2)CC1 19528203 UPQDLFOPXBYXMV-HNNXBMFYSA-N 374.464 1.394 0 40 FDAB Cc1ccccc1OCCC(=O)N1CCC[C@H](c2nnc3n2CCNC3)C1 19711025 MXRIBNGKWPPQCJ-INIZCTEOSA-N 369.469 1.865 0 40 FDAB COc1ccc(CNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC 15555215 OCBSQXIZBGZJRC-UHFFFAOYSA-N 359.411 1.735 0 40 FDAB COc1cc(CCC(=O)OCC(=O)N2CCCC2=O)cc(OC)c1OC 3490012 BHWYKNVSVVDAFA-UHFFFAOYSA-N 365.382 1.337 0 40 FDAB Cn1cc(S(=O)(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cn1 1888859269 HGOXXKGYJPFUAP-UHFFFAOYSA-N 361.349 1.001 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3ncncc3F)C[C@@H]2C1 1888866983 PYPWHOZFBPDIPT-GASCZTMLSA-N 362.430 1.514 0 40 FDAB CS(=O)(=O)CCN1C[C@]2(CCCN(Cc3cccc(F)c3)C2)C1=O 1615101382 JVEGZAPCLBEFEY-QGZVFWFLSA-N 354.447 1.295 0 40 FDAB Cc1cc(N2CCN(c3nc(C)nc4c3CCC4)CC2)n2ncnc2n1 2087026212 JTZCABYYUPHTPP-UHFFFAOYSA-N 350.430 1.346 0 40 FDAB CCCc1cc(O)nc2nnc(SCC(=O)NC[C@@H]3CCCO3)n12 4250216 MQLVIDTXVVENME-NSHDSACASA-N 351.432 1.170 0 40 FDAB COC(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21 4727622 GUBNACBPGSBIQD-UHFFFAOYSA-N 370.452 1.411 0 40 FDAB COCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(C)c2)CC1 23127569 INEHBRGQTYVJEN-UHFFFAOYSA-N 356.488 1.640 0 40 FDAB Cc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccccc3)[C@H]2C1=O 51330586 MWQKMWFOQJJWCY-DLBZAZTESA-N 363.377 1.927 0 40 FDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1cccnc1S 32018892 IIDOPRYINKJONA-UHFFFAOYSA-N 351.453 1.220 0 40 FDAB CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1 52699667 ZOTIOWIBTNLXKD-UHFFFAOYSA-N 352.394 1.927 0 40 FDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1cc(-c2ccncc2)on1 103100815 MTSGINSRAFQWFG-UHFFFAOYSA-N 368.397 1.518 0 40 FDAB Cc1ccc(N2CCN(CCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 633293 SPEJOOYTSCOEMD-SFHVURJKSA-N 356.470 1.934 0 40 FDAB CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4762882 OJANTFFQNUJOQL-NEPJUHHUSA-N 361.508 1.649 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C)c2)cc1 6860349 RWUULHIGOYOYNI-UHFFFAOYSA-N 368.393 1.647 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(Br)c2)n1 6593897 UCPROMQVPVYOJK-UHFFFAOYSA-N 369.248 1.972 0 40 FDAB CCOC(=O)CN(C(=O)COC(=O)C1=COCCO1)c1ccc(F)cc1 7735067 OPZVVLOOWQBCER-UHFFFAOYSA-N 367.329 1.153 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)OCC)CC2)c1C 7985129 IKXNOGNNSDMVAH-UHFFFAOYSA-N 351.403 1.723 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)ccc21 23098585 PDVBQRGRLOGDGP-KBPBESRZSA-N 372.469 1.564 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1COc2ccccc2O1 12172454 DUBJKLNUGCBKSS-QGZVFWFLSA-N 355.394 1.374 0 40 FDAB CCn1c(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)nc2ccccc21 10651886 IXIOUVUBYVXHMM-UHFFFAOYSA-N 364.413 1.874 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(-c2nnco2)c1 24738202 OVFCWJGDJMZQQU-UHFFFAOYSA-N 362.349 1.870 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974513 MOXQFOBKBHIWSZ-CQSZACIVSA-N 370.471 1.167 0 40 FDAB Cc1ccc([C@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C2CC2)cc1 25161661 IGFMPFZULGVPFM-ZGKFYVQTSA-N 353.422 1.673 0 40 FDAB O=C(NCCS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O 47386107 WNIIBOTTYOHEHP-UHFFFAOYSA-N 357.387 1.997 0 40 FDAB O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(N2CCNC2=O)cc1 59936381 BZRBBFMTPYZILU-UHFFFAOYSA-N 374.319 1.833 0 40 FDAB COc1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 101997562 WJPKPUSNXPCASB-IXDOHACOSA-N 354.362 1.838 0 40 FDAB O=c1cc(CO)oc(CN2CCN(c3cccc(Cl)c3)CC2)c1O 57143191 NXTFEXSIPZXRHW-UHFFFAOYSA-N 350.802 1.813 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H]3C=CCC3)c2)CC1 57272331 UDWFFWWLVRKFOS-OAHLLOKOSA-N 363.483 1.918 0 40 FDAB CCCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420311 KNQLHHBPRIXNKV-KSVNGYGVSA-N 374.437 1.760 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420191 QXYJPYRNFVYREE-QCUYGVNKSA-N 360.410 1.282 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 100897777 JDRNIXRYTRZGKC-JONQDZQNSA-N 364.829 1.867 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC(C)CC2)c1 28069598 USYMXXIGUDNERD-UHFFFAOYSA-N 353.488 1.447 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)NCCc1ccc(Cl)cc1 36390174 GMNBVBXXIYLGCF-UHFFFAOYSA-N 359.861 1.611 0 40 FDAB CCc1ccc2c(COC(=O)[C@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 10994170 JAGVNKZTERXJIF-LBPRGKRZSA-N 350.392 1.833 0 40 FDAB O=C(Nc1ccc(F)c(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12775205 RKYCMUKSILGEKD-JTQLQIEISA-N 371.365 1.069 0 40 FDAB CCOC(=O)C1=C(COC(=O)COc2ccccc2C)NC(=O)N[C@H]1C 12870424 NMSALUSWIYRESW-LBPRGKRZSA-N 362.382 1.436 0 40 FDAB COc1ccc(C(=O)NCCNc2ccc(-n3cccn3)nn2)cc1OC 19924374 KQWZOXGXLDQPFM-UHFFFAOYSA-N 368.397 1.521 0 40 FDAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCO)cc3)cc2c1 12900497 XWACKHIMKJDYCD-UHFFFAOYSA-N 369.373 1.956 0 40 FDAB biogenic CCOC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CO)cc(=O)c1O 71280154 DZZAKSJWLCMAGJ-LBPRGKRZSA-N 362.334 1.652 0 40 FDAB C[C@]1(c2cccs2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 65514456 ANKCYACAZLJSAO-APPDUMDISA-N 360.391 1.977 0 40 FDAB O=C(Cn1cnnn1)Nc1nnc(SCc2ccccc2F)s1 14167444 OBPOHLGJGQQDGE-UHFFFAOYSA-N 351.392 1.595 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)ccc21 14350517 AFHSXGJIPFXHJP-LJQANCHMSA-N 370.409 1.255 0 40 FDAB O=C(O)CCNC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1 5681192 KDMGTOHHZBDHRR-VBKFSLOCSA-N 354.362 1.754 0 40 FDAB biogenic CC(=O)NCc1ccc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)o1 6905368 OSFNDTHAYDTRAT-QGZVFWFLSA-N 359.334 1.482 0 40 FDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408954831 NOPIETNTBHTBRP-SAKMYQHLSA-N 357.362 1.093 0 40 FDAB COc1ccccc1NC(=O)NCCNc1ccc(-n2cccn2)nn1 19924205 ZGGDRISYRMPMQR-UHFFFAOYSA-N 353.386 1.905 0 40 FDAB c1cc(COCC[C@H]2CO[C@H]3CN(c4ccc5nncn5n4)C[C@@H]23)ccn1 306130056 IVIMMXLWWZHXJG-ULQDDVLXSA-N 366.425 1.577 0 40 FDAB CCOC(=O)C[C@@H](c1cnn(CC)c1C)c1oc(CO)cc(=O)c1O 72400328 OISQCDOUSVGDKI-LBPRGKRZSA-N 350.371 1.448 0 40 FDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2n(C)c1=O 95473338 QTYCHDRFZGOUGQ-CYBMUJFWSA-N 371.393 1.979 0 40 FDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Cl)cc1OC 408594168 SRBLSUYVVYIPFW-ONNFQVAWSA-N 354.746 1.725 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 11564697 LWEHAOGINRQDEH-UHFFFAOYSA-N 356.407 1.450 0 40 FDAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C(=O)O)cc2)[C@@H]1O 77263893 MCRFGFUPQNTQPR-INMHGKMJSA-N 364.442 1.155 0 40 FDAB biogenic,in-vitro O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc(N2CCCC2)nn1 557024674 GCSCVAGOGIYWOZ-QGZVFWFLSA-N 367.453 1.896 0 40 FDAB Cc1nc2ccc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)cn2n1 539919487 MEEDIFNPTBXIRC-UHFFFAOYSA-N 364.365 1.342 0 40 FDAB COc1ncc(C2(O)CCN(C(=O)c3ccccc3OC)CC2)c(OC)n1 72337530 ZHTSMRZIWLXHIH-UHFFFAOYSA-N 373.409 1.626 0 40 FDAB O=C(CSc1nc2ccccc2o1)N1CCN(CCn2cccn2)CC1 62153586 HLDWRCIKEIECTM-UHFFFAOYSA-N 371.466 1.961 0 40 FDAB CS(=O)(=O)C1(C(=O)Nc2nnc(-c3ccccc3)s2)CCNCC1 567899843 BKNFAMGHVGHZJB-UHFFFAOYSA-N 366.468 1.310 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1Cl 226686268 QGHNOATUUYJREA-UHFFFAOYSA-N 355.803 1.661 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 223306795 MYMFGERJVPNWCK-UHFFFAOYSA-N 362.451 1.974 0 40 FDAB NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 40400353 NMTQQLVNQHKMTJ-MRVPVSSYSA-N 367.287 1.443 0 40 FDAB COc1cc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 222433608 POZZNRSKEPZBQL-DJBIQUGXSA-N 353.758 1.950 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2ccc3cncn3c2)[C@@H]1c1nccn1C 573113856 KBFVKGHWBSYCSF-XJKSGUPXSA-N 352.398 1.017 0 40 FDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107522 GRSXFMRFNPIWJO-LPHOPBHVSA-N 354.410 1.852 0 40 FDAB CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1sccc1-n1ccnn1 578969989 XGEXJLXYBPGOTP-UMVBOHGHSA-N 361.471 1.653 0 40 FDAB CCN(CC)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cc(C)on3)C2)O1 96160245 CPIWFSLLUZZWPG-YJBOKZPZSA-N 351.447 1.715 0 40 FDAB CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc3O2)C1 332522651 MYOAAEQIUUPHEQ-HOCLYGCPSA-N 352.456 1.263 0 40 FDAB COc1ccc(CC(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)cc1 96220733 PJBVMXFJOPAMCR-BHYGNILZSA-N 357.410 1.788 0 40 FDAB O=C(C1CCOCC1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247888843 XZTPIIFJLMRKIN-MRXNPFEDSA-N 355.500 1.943 0 40 FDAB Cc1ccsc1CN1CC2(C1)CN(C)[C@H](C(=O)N1CCCCO1)CO2 248098784 ZKCSILZERLYGQP-HNNXBMFYSA-N 365.499 1.496 0 40 FDAB CC(=O)Nc1cc(CCC2CCN(C(=O)CN3CCOCC3)CC2)ccn1 257241257 HXIQPVUELMRLAH-UHFFFAOYSA-N 374.485 1.543 0 40 FDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc1 257242021 IARYFIOHOGXUQU-SFHVURJKSA-N 355.442 1.964 0 40 FDAB O=C(O)[C@@]1(C(=O)N2CCC(O)(CN3CCCCC3)CC2)CC=CCC1 1605909473 WNRNWJFTTXXUSC-IBGZPJMESA-N 350.459 1.637 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 614988782 DCJZZFPJIDUBFB-INIZCTEOSA-N 368.441 1.066 0 40 FDAB Cn1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 645701339 PKFZJZTWZIDDAS-MAUKXSAKSA-N 355.442 1.517 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 681943647 ZRVBXARBFXOUOH-HNNXBMFYSA-N 371.393 1.009 0 40 FDAB CN1C[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 585093752 CDQNKTTXNCCTQK-INIZCTEOSA-N 352.438 1.840 0 40 FDAB O=C(C[C@H]1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)NC1CCC1 585095394 URGQSBWIEKFLBT-NSHDSACASA-N 366.365 1.148 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]21 585108485 OVMHTINVBCAYIG-KZNAEPCWSA-N 369.396 1.875 0 40 FDAB O=S(=O)(NC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)C1CC1 585111600 DKJXGCGQFLVFIC-MRXNPFEDSA-N 364.446 1.661 0 40 FDAB O=C1CSc2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2N1 47123161 RGWXZXILUZMMGM-UHFFFAOYSA-N 366.406 1.637 0 40 FDAB Cc1ncnc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c1F 1776009348 FNYCEDSAHHYHTF-HNNXBMFYSA-N 356.401 1.824 0 40 FDAB COc1cccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C(C)(C)C)nn2)c1 1549161917 QHYGJICYCCAWTJ-LZLYRXPVSA-N 360.458 1.502 0 40 FDAB CN1CCN(c2nccc(CN3CCN(c4ccccc4F)CC3)n2)CC1 12143907 OHWSTSPRPKAMDI-UHFFFAOYSA-N 370.476 1.690 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)c3oc(C)nc3C)CC2)cn1 19749058 CWQQQMZXZPERGF-AWEZNQCLSA-N 357.414 1.815 0 40 FDAB C[C@H](CN(C)C(=O)c1cccn(CC(=O)N(C)C)c1=O)c1ccccc1 19751431 WVIZTFNHBIZEMG-OAHLLOKOSA-N 355.438 1.812 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)on1 17187599 PUYJFOLMBOCSLJ-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NCc1cccs1 4250267 PNSUBJIMBDXXQQ-UHFFFAOYSA-N 371.418 1.777 0 40 FDAB O=C([C@@H]1CN(c2cc(C(F)(F)F)ncn2)CCO1)N1CCSCC1 1888834197 KOZOXBBSAKGBSF-JTQLQIEISA-N 362.377 1.276 0 40 FDAB FC(F)(F)c1ccc(N2CCN(Cc3nnc4n3CCC4)CC2)nc1 1888853316 AOMOTDWAFIYFRZ-UHFFFAOYSA-N 352.364 1.960 0 40 FDAB O=S(=O)(c1cnc[nH]1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888869484 DBWMHIXPOLPRPX-IAQYHMDHSA-N 367.406 1.209 0 40 FDAB Cc1nccn1-c1cc(NCc2ccnc(N3CCOCC3)c2)ncn1 1888903993 GMQUVTCCFGVLEZ-UHFFFAOYSA-N 351.414 1.814 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CC1 1889099090 NEFZNKAWTTZSRZ-SECBINFHSA-N 350.366 1.546 0 40 FDAB CN1CC[C@@H](N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)C1=O 1848590199 BXLDSXFVGLRVMH-QGZVFWFLSA-N 358.417 1.478 0 40 FDAB O=S(=O)(NCCn1ccc(-c2cnccn2)n1)c1ccc2c(c1)CCO2 238933338 VGZAFHJPWODWNE-UHFFFAOYSA-N 371.422 1.254 0 40 FDAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@H]2O1 1565547667 RIYBEBYYNASAOD-RRQGHBQHSA-N 361.417 1.295 0 40 FDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H]21)N1CCCC1 1565548694 IHEDRIZYBUUPQU-IAOVAPTHSA-N 361.417 1.249 0 40 FDAB Cn1cccc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1=O 1565555053 PHNJVOSGXWXZPS-QGZVFWFLSA-N 365.433 1.521 0 40 FDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 3612681 OLHPYAIGFWDZET-HUUCEWRRSA-N 366.483 1.826 0 40 FDAB CC(C)C(=O)NC[C@@H]1N(C(=O)[C@H]2CCOC2)CCCC12CCN(C)CC2 2055747548 GDSDMENEHUZOHP-IRXDYDNUSA-N 365.518 1.498 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(CC(F)(F)F)CC1 283930078 ITBRVVBBFSAGHX-UHFFFAOYSA-N 363.405 1.755 0 40 FDAB Cc1cc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n2nccc2n1 2298048651 SBKKKCHQWYAPSB-UHFFFAOYSA-N 354.414 1.433 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)CO 40098539 FZGXIZQAHOOMTA-ZDUSSCGKSA-N 355.460 1.672 0 40 FDAB CC(C)N1C[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1=O 31239011 QLLUQIKYBONAON-GOSISDBHSA-N 372.513 1.572 0 40 FDAB COc1ccccc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 32895312 XVZOWWOIZZEYLZ-GASCZTMLSA-N 369.487 1.171 0 40 FDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102700152 MTVUEDDKKXLIRN-BETUJISGSA-N 367.405 1.702 0 40 FDAB COC(=O)CNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1 4966768 CSGUVFAQRMHRIX-UHFFFAOYSA-N 368.437 1.958 0 40 FDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cccnc1Cl 6354083 CFQQXUSVMNHORR-UHFFFAOYSA-N 373.752 1.513 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CSCC2=O)c1 7768980 NCKAMLYJQJLIBR-UHFFFAOYSA-N 371.484 1.189 0 40 FDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3c[nH]cn3)cc2O1 8764711 MJPPRYXISJUMMT-UHFFFAOYSA-N 359.382 1.597 0 40 FDAB biogenic COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100664361 FKZWULLRYFIHQO-KNNTYIFHSA-N 352.390 1.687 0 40 FDAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1OC 47410726 ORGAEJZPVCIUBR-HNNXBMFYSA-N 354.472 1.906 0 40 FDAB C[C@@H](OCC(F)(F)F)C(=O)NCCN1CCN(Cc2ccccc2)CC1 42829239 NYEQFCPEPNSZKF-OAHLLOKOSA-N 373.419 1.888 0 40 FDAB C[C@]1(NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 24447968 PGVSIEJMSCVVFX-WFASDCNBSA-N 373.862 1.133 0 40 FDAB CC(C)(C)C(=O)NC[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100306584 JWVOMBSRRJBJRP-LYKCQVCGSA-N 354.406 1.662 0 40 FDAB Cn1ccc(S(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 12581300 CELAVXCAHNDJJI-UHFFFAOYSA-N 359.402 1.123 0 40 FDAB Cc1cnn(CCCNC(=O)NCCS(=O)(=O)Nc2ccccc2)c1 58196464 RKENXZXNSINKTG-UHFFFAOYSA-N 365.459 1.323 0 40 FDAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc3c(c2)OCO3)C1=O 58174462 UINLMWKTHDYRDF-YPMHNXCESA-N 350.371 1.122 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)n1 58236875 KYFZBQRGQDIHTJ-CABCVRRESA-N 371.445 1.726 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58290972 LORDHHBKOXLAMY-YESZJQIVSA-N 369.421 1.556 0 40 FDAB Cc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(C)c2)c1 3439782 PTKBYSSHVPWNBN-UHFFFAOYSA-N 368.480 1.560 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(OCC(N)=O)cc3)cnc12 12944958 HUHBMPFFBDDGGQ-UHFFFAOYSA-N 366.377 1.208 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 5342073 HSEVBIKBHLVPEN-HXPMCKFVSA-N 373.409 1.912 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1ccccc1)Cc1ccco1 14246675 ZZFOORQRKFFSBI-UHFFFAOYSA-N 350.440 1.572 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(F)cc1 6589044 YFGXFLSLXKBPIL-LJQANCHMSA-N 369.352 1.994 0 40 FDAB COC(=O)C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ccc(OC)cc1 66095749 TWRGKLKJIVRVNN-CQSZACIVSA-N 367.427 1.320 0 40 FDAB CC(=O)c1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1 4933164 ZZSSRBNNZKXRFY-UHFFFAOYSA-N 361.423 1.367 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4942097 VJRRGVUYOXJSEL-DTWJZALFSA-N 357.362 1.569 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1CC=CCC1)n2C 7242084 MXIONBOTXLSCRW-LBPRGKRZSA-N 360.414 1.623 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 16092314 RCLOKFZMBCJARL-UHFFFAOYSA-N 370.427 1.326 0 40 FDAB COc1cccc(N2C(=O)[C@H]3NN=C(C(=O)Cc4ccccc4)[C@H]3C2=O)c1 16030460 VGNYKDGZNMOIQX-AEFFLSMTSA-N 363.373 1.324 0 40 FDAB biogenic COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1Br 7760468 TZRNANWGXSHIMD-LLVKDONJSA-N 372.215 1.910 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cnn(C)c1 8394540 YPSIPMZAZWQWML-UHFFFAOYSA-N 351.204 1.860 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 9484711 MLKDUSRDGPOSRH-LBPRGKRZSA-N 358.398 1.197 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccccn1 9419868 POTWJGAVEPAZLQ-KRWDZBQOSA-N 366.421 1.641 0 40 FDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 9503281 LTRVJKYSFBDFCS-GOSISDBHSA-N 361.398 1.137 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NC3(C(=O)O)CCCCC3)CC2=O)cc1 72276977 IIRVWAOSXCDFHW-CYBMUJFWSA-N 360.410 1.952 0 40 FDAB Cn1cc(COC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cn1 97211376 UPSGXWAZBDVJSB-UHFFFAOYSA-N 363.439 1.998 0 40 FDAB COC1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999891 RSPPYCJVRCDZOD-QGZVFWFLSA-N 366.483 1.732 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)[C@@H]1OC 95941981 MISUZDQPYUOASX-OAGGEKHMSA-N 356.444 1.140 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(F)cc1 408653307 FDYXMZDLPHICEW-BNBDDXAPSA-N 374.368 1.339 0 40 FDAB CC(=O)N1C[C@H](C(=O)NCCc2ccc3c(c2)OCO3)Oc2ccccc21 32741236 ZISLIEPHYPLNAP-LJQANCHMSA-N 368.389 1.888 0 40 FDAB CCOc1cccc(CNS(=O)(=O)c2nnc(NC(=O)CC)s2)c1 225238808 ATLJXLLWWCTMTA-UHFFFAOYSA-N 370.456 1.764 0 40 FDAB COc1ccc(CNC(=O)c2c(O)n3cccc(C)c3nc2=O)cc1OC 226822333 IGIJYGVKTHABGM-UHFFFAOYSA-N 369.377 1.656 0 40 FDAB O=C(CNC(=O)c1ncccc1O)Nc1ccccc1N1CCCC1=O 89814129 JUBMPONMBDUQLX-UHFFFAOYSA-N 354.366 1.283 0 40 FDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1nc(C(=O)O)cs1 570975321 DKTQMZQLKLOTGD-VIFPVBQESA-N 355.441 1.682 0 40 FDAB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1 224666336 ZOCHRAQFNNPSIF-UHFFFAOYSA-N 363.391 1.842 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225878878 FSSVQCLTZXTZCO-UHFFFAOYSA-N 370.482 1.750 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 230318281 OHKDKVDIUCGOLO-QAMTZSDWSA-N 357.362 1.059 0 40 FDAB COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(S(C)(=O)=O)CC2 96061369 NGRNGXUMTAQEBN-MRXNPFEDSA-N 366.483 1.443 0 40 FDAB Cc1nnc2n1C[C@@H](CNC(=O)c1cnn(C)c1Cc1ccccc1)CC2 579181606 HXEJADDFAPUIAB-MRXNPFEDSA-N 364.453 1.903 0 40 FDAB O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96062455 SPKMEIQVVRTOMG-HNNXBMFYSA-N 357.501 1.160 0 40 FDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC)c(O)c2)o1 96114557 VJYYPPSLSOWFBM-LBPRGKRZSA-N 364.350 1.901 0 40 FDAB biogenic CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1Cl 243125529 JKCGDQUERXSDIA-CYBMUJFWSA-N 360.863 1.397 0 40 FDAB Cc1cccc(COC[C@H]2CN(C(=O)c3cocn3)Cc3cncn32)n1 247874903 NNVTVRQBCSUJOO-MRXNPFEDSA-N 353.382 1.988 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1C(C)C 257274216 NJZYHSKPHRGRLV-INIZCTEOSA-N 357.458 1.163 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)cn1 257341279 ZJQYDRUEHXRIME-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(CC(=O)O)CCO3 257302279 SCHBLPVENJIKHX-URKNILKWSA-N 363.410 1.796 0 40 FDAB Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257266686 MEBDUVOBBZHSGU-GFCCVEGCSA-N 361.423 1.899 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCO[C@@H](CCc3ccncn3)C2)n1 257271000 MWLKIKGHWKILTK-HNNXBMFYSA-N 359.430 1.776 0 40 FDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3cccnc3=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257280095 OJKDYSRQKUXPKB-CYJAXWMASA-N 358.442 1.024 0 40 FDAB CN(C)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 1775960970 POASZKRNFZXENV-KSZLIROESA-N 368.437 1.392 0 40 FDAB O=C(Nc1cncnc1-n1cccn1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F 622829045 RRFAYISHWJJNRT-GHMZBOCLSA-N 371.319 1.585 0 40 FDAB C[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCc3ccccc32)CCS1(=O)=O 641459203 VGXUQLLZGGMBGR-GDBMZVCRSA-N 371.524 1.945 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2nc(Cc3ccccc3C)no2)C1 643815830 SMXJWLVEUBQBCR-LJQANCHMSA-N 358.442 1.432 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)COc1cccc2ccccc12 643953466 SNTWVLDWSSXPMB-FQEVSTJZSA-N 356.422 1.972 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(-c3ccccc3C)nn2)C1 644121918 FBZVATDDQIJNBY-CJNGLKHVSA-N 352.398 1.901 0 40 FDAB Cc1nnc(CNC(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)n1C 644352947 YNFVXJULHJKHSJ-LJQANCHMSA-N 357.458 1.157 0 40 FDAB Cc1ncn(CC(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)c(=O)c1C 575605866 NLXBQSZWUQZJRW-CYBMUJFWSA-N 362.817 1.588 0 40 FDAB COc1cccc(O[C@H]2CCN(C(=O)/C=C/c3cnc[nH]3)CC[C@@H]2O)c1 585290859 IHKBRJRCPSOEAG-ZBKUBXTQSA-N 357.410 1.862 0 40 FDAB CC[C@]1(O)C(=O)COc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1 584577029 UIRTZHCLJARLMS-HXUWFJFHSA-N 364.357 1.690 0 40 FDAB CCCn1c(=O)n(CCC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 26536435 PJYRKBXQVAKRNK-UHFFFAOYSA-N 358.442 1.327 0 40 FDAB O=C(CN1CCN(c2ccccc2O)CC1)NC(=O)NCc1ccco1 36379777 DSAOFGVSFXACGI-UHFFFAOYSA-N 358.398 1.133 0 40 FDAB O=C(CCc1nnc(-c2ccsc2)o1)NCCCN1CCOCC1 37151200 ZNIULGRTENLBTN-UHFFFAOYSA-N 350.444 1.569 0 40 FDAB Cc1noc(CNC(=O)c2nnn(-c3nc4c(s3)CCCC4)c2C)n1 56934216 AQNDQOHXNAVCIH-UHFFFAOYSA-N 359.415 1.532 0 40 FDAB C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c23)C1 11990307 VOHRCAOMJGAFJR-RYUDHWBXSA-N 361.467 1.878 0 40 FDAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3cccnc3)C1)CNC2=O 12086772 KINYHVZHGLVSEC-FQEVSTJZSA-N 367.405 1.887 0 40 FDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCCCC4)nc12)OCO3 12181952 NHYAKFCZIRLWAO-UHFFFAOYSA-N 368.393 1.699 0 40 FDAB CCn1ccnc1CN1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 19578072 YDWBVKICHVMQPW-MRXNPFEDSA-N 368.485 1.977 0 40 FDAB CN1CCCC[C@@H]1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 19659456 DNWYAXJNYZWJLX-OAHLLOKOSA-N 353.488 1.428 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc(C2CCNCC2)n1 19710166 MZPJXAUXUXAEJS-UHFFFAOYSA-N 370.523 1.004 0 40 FDAB CNc1nc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc2c1CCN(C)C2 19711549 KIDOCQKQBKOLPI-OAHLLOKOSA-N 373.501 1.781 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@H]2CCCN2C)n1 19760726 LOVJSACJKCCADJ-CQSZACIVSA-N 370.523 1.303 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 5369580 JFUOZIQMCIFVJZ-DMKPRTFPSA-N 368.433 1.498 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCC[C@@H](c4nnc5n4CCC5)C3)ccc21 518032135 BIDZBFZJSOHODQ-CYBMUJFWSA-N 366.425 1.836 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 6086295 BMBZXXQDXFQPNM-CQSZACIVSA-N 374.466 1.859 0 40 FDAB CNC(=O)c1ccn([C@@H]2CCCN(c3ncc(C(=O)O)cc3Cl)C2)n1 647453777 SZVXQPAFYRGKRY-LLVKDONJSA-N 363.805 1.831 0 40 FDAB COc1cccc(N2C(=O)CN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@H]32)c1 11983974 JLUNFUVHTWILEU-HZPDHXFCSA-N 352.456 1.165 0 40 FDAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1)C1CC1 19400379 GFDWALOEZFLYIO-PBHICJAKSA-N 353.426 1.924 0 40 FDAB Cc1cnc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)nc1 1888908402 FYFIEFDCFBTBGD-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB O=C1[C@@H]2CN(c3cc(=O)n4ccccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888910613 CCUFBMYRIAUSLD-IYBDPMFKSA-N 374.400 1.316 0 40 FDAB COc1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1889119512 CZXLBVFCQBVYIS-UHFFFAOYSA-N 369.469 1.644 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccnc2ccccc12 2037971204 CLKDFMDGNYRVQN-LNRXMEIDSA-N 364.445 1.744 0 40 FDAB COC1(CC(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)CCC1 1565551394 DLLWRSZZDDLDOY-UWJYYQICSA-N 372.465 1.799 0 40 FDAB O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565548479 CVNAQKMSZNDUFR-UHFFFAOYSA-N 351.370 1.300 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccccc2C)C1 2055771970 NLDFXERUTKLVPR-LJQANCHMSA-N 356.426 1.334 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)cc1 23106919 DXFCVWZTBNRVNZ-HNNXBMFYSA-N 358.398 1.111 0 40 FDAB Cc1noc(C)c1CC(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575614036 ZOJSCEPGCHONBN-UHFFFAOYSA-N 368.390 1.743 0 40 FDAB C[C@H]1CCc2c(nc(N)n(CC(=O)N3c4ccccc4C[C@@H]3C)c2=O)C1 12240159 SCSIMQIZTHPCCX-STQMWFEESA-N 352.438 1.928 0 40 FDAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1)C(C)C 36584491 XOKKHASNEUDXDR-ZBFHGGJFSA-N 357.414 1.659 0 40 FDAB biogenic O=C(Nc1nc2c(s1)CCC2)C1CCN(c2ccc3nncn3n2)CC1 30865636 OWPSOPPGUITYMW-UHFFFAOYSA-N 369.454 1.925 0 40 FDAB COC(=O)CCCN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32278248 YBLHNIAJJXILOM-UHFFFAOYSA-N 354.428 1.153 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cn2cncn2)cc1 32868917 RZLGYTNHRIOUOI-UHFFFAOYSA-N 370.434 1.660 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCc1nc(Cc2ccccc2)no1 32930922 OELZIDZVYBOHMT-UHFFFAOYSA-N 358.442 1.966 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 8594210 BVYIYXIMXCIUEX-VIFPVBQESA-N 353.300 1.577 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)CCc2ccccc2)no1 12029099 JGGSLDSJOCMXCY-HNNXBMFYSA-N 363.439 1.958 0 40 FDAB CC[C@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)c1ccccc1 78716872 WVSGYFGKUFZMAU-HNNXBMFYSA-N 350.382 1.868 0 40 FDAB O=CN1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 724248 ULGCYUWXZJJIEP-UHFFFAOYSA-N 361.623 1.782 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)ncnc21 23462316 HIJRURBGWPPBQA-UHFFFAOYSA-N 362.397 1.202 0 40 FDAB COc1cc(/C=c2\sc3nc4cccnc4n3c2=O)ccc1OC(C)=O 1097682 FMXIGUIBFFYXPM-DHDCSXOGSA-N 367.386 1.786 0 40 FDAB COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccccc3)C2=O)c1 24086886 WYXIESVUCHIOFA-FOIQADDNSA-N 370.405 1.902 0 40 FDAB O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 35597534 WUHICTAKMBLMDJ-UHFFFAOYSA-N 368.455 1.921 0 40 FDAB O=C(CN1C[C@@H]2CCC[C@@H](C1)C2N1CCOCC1)Nc1nccs1 100214081 PVGZOMUMHHSMLX-KBPBESRZSA-N 350.488 1.514 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21 8749437 LMNHSCXVIYGTIK-UHFFFAOYSA-N 355.442 1.605 0 40 FDAB COCCCNC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)N(C)c1ccccc12 62001429 KPLAUZLMIXKUTG-UVFQYZLESA-N 357.454 1.495 0 40 FDAB biogenic COC(=O)Cc1nnn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1 58311771 WCZAIURYJXKPNK-UHFFFAOYSA-N 356.361 1.250 0 40 FDAB CNC(=O)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 58431414 XGVPGDJGGYRTKB-INIZCTEOSA-N 367.449 1.944 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)COc2ccc3c(c2)CCC3)CC1 21841115 MHNDKFWIAFGDPO-AWEZNQCLSA-N 374.437 1.177 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(F)cc2)C1=O 3369268 GFPQNGSZVPOSKZ-UHFFFAOYSA-N 350.346 1.662 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NCCc1ccc2c(c1)OCO2 48301417 NWYRJXMAUJFREZ-UHFFFAOYSA-N 351.362 1.484 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NC(c2ccccc2)c2ccccc2)nn1 48354405 HXJXUFWOPLEWAE-UHFFFAOYSA-N 363.421 1.886 0 40 FDAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)N4CCOCC4)CC3=O)c2c1 12866461 GQZOBVLIXSHCNW-MRXNPFEDSA-N 355.438 1.726 0 40 FDAB COc1cccc(CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 18034116 FRSMYFHVKOSISW-UHFFFAOYSA-N 374.441 1.413 0 40 FDAB O=C1C(=O)N(Cc2ccco2)C(=O)N1CC(=O)N1CCCc2ccccc21 8709200 BVCOHEWNNDFEJZ-UHFFFAOYSA-N 367.361 1.550 0 40 FDAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccccn4)n3n2)n1 71283543 KVHAEJRDFXNYQV-UHFFFAOYSA-N 362.397 1.893 0 40 FDAB COC(=O)c1cccn1C1CCN(S(=O)(=O)N(C)[C@H](C)C2CC2)CC1 66917599 UMSHQEANOOOAPD-CYBMUJFWSA-N 369.487 1.887 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 15116213 FHSBLHASANVMFS-UHFFFAOYSA-N 368.846 1.650 0 40 FDAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)cn1 67750505 VPUPHPMMWMRKTQ-UHFFFAOYSA-N 364.409 1.588 0 40 FDAB O=C(Nc1ccncc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005153 SYJJDRCUIKKOAO-OAHLLOKOSA-N 352.460 1.940 0 40 FDAB CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 83851051 NSIVAFIWPJMCQL-QGZVFWFLSA-N 359.470 1.541 0 40 FDAB CS(=O)(=O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 83984673 LBEISIDXTJGVDG-NSHDSACASA-N 361.414 1.135 0 40 FDAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20495563 UCNMBVVXJQALEI-AWEZNQCLSA-N 373.906 1.817 0 40 FDAB CCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 9910188 OEVIXSVEYACCBR-HNNXBMFYSA-N 368.455 1.987 0 40 FDAB NC(=O)c1ccc(OCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 21628561 QCDHTNFHNYZFCR-UHFFFAOYSA-N 367.405 1.829 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@@H]2COc1cccnc1)C(F)(F)F 306145081 ZXHDGPUSFXBSIZ-SNVBAGLBSA-N 352.334 1.401 0 40 FDAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NCC(=O)NC2CCCCC2)c1 545545636 LOJVEABYJLYFKM-UHFFFAOYSA-N 372.418 1.560 0 40 FDAB CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708719 LLKGBJPKJMXXNC-UHFFFAOYSA-N 368.437 1.233 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)O2 34874374 ZDOBEODZHJDKSC-HDICACEKSA-N 358.463 1.961 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 408592014 NDYZDKROSFFZAM-UHFFFAOYSA-N 364.423 1.629 0 40 FDAB O=[N+]([O-])O[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1no[n+]([O-])c1Br)(C3)C2 217486639 NRDWTHHQSWDPLI-IVQVNHIISA-N 360.164 1.869 0 40 FDAB Cc1ccsc1[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 70635695 POKVMLKGZUZGMW-AWEZNQCLSA-N 368.480 1.770 0 40 FDAB Cc1nnc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)s1 62022883 IMTVWNLLGMPOQS-LBPRGKRZSA-N 370.442 1.677 0 40 FDAB CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 41262794 KRDBWUBXDJDLOZ-UHFFFAOYSA-N 350.415 1.701 0 40 FDAB CS(=O)(=O)N(CC(=O)N1CCOc2ccccc21)Cc1ccccc1 226034805 NEOKTWCDFXYIRY-UHFFFAOYSA-N 360.435 1.874 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)c1C 530417223 TYCFYSXFDXDPGP-LSDHHAIUSA-N 359.430 1.832 0 40 FDAB CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 47214827 BGLXGNIBPYAIOO-UHFFFAOYSA-N 364.464 1.262 0 40 FDAB CCc1nc(CNC2CCN(S(=O)(=O)C3CCOCC3)CC2)cs1 130601896 YYUDISHNVMRDPE-UHFFFAOYSA-N 373.544 1.768 0 40 FDAB COc1cc(N2CCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906274 LITJWZDAFFHRBQ-GFCCVEGCSA-N 351.476 1.941 0 40 FDAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc[nH]n1 80330667 BFNSVUUFZRTOQZ-OAHLLOKOSA-N 371.445 1.300 0 40 FDAB COc1cc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)cc(C)n1 583617855 ZXBLWEVHYWYJTG-GOSISDBHSA-N 359.430 1.695 0 40 FDAB CN(C)[C@@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2C)C1 96147575 RKIXEOBZKCZZHN-QGZVFWFLSA-N 368.485 1.858 0 40 FDAB Cn1c2ccccc2c2c1cc(C(=O)N1CCOCC1)n2S(C)(=O)=O 96146254 OHSYUSKQQRAFEB-UHFFFAOYSA-N 361.423 1.413 0 40 FDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)O1 96063321 GDWPPCIFNVAPOD-IEBWSBKVSA-N 350.434 1.706 0 40 FDAB O=S1(=O)N[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2Oc2ncccc21 514289567 LEBKRDBQSIIJGL-NEPJUHHUSA-N 359.398 1.383 0 40 FDAB biogenic,in-vitro O=C(c1ccnnc1)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106099 YQZMJRMKOFFWNH-QGZVFWFLSA-N 354.410 1.962 0 40 FDAB Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242701687 WKBASTRHGPAGMJ-CKEIUWERSA-N 354.472 1.728 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@H](c2cccc(-c3cnc(N)nc3)n2)C1 257341911 ZMKDVJMWOAHZEI-HNNXBMFYSA-N 357.414 1.446 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257214220 CLCWNNPJLUABMB-INIZCTEOSA-N 353.426 1.994 0 40 FDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc4ncccc4c3)C2)CC1 257301847 SAFJVEDWPHNVAJ-FQEVSTJZSA-N 354.454 1.059 0 40 FDAB O=C(Nc1ccc2c(c1)COB2O)C1(C(=O)N2Cc3ccccc3C2)CC1 1776003060 SYOKPFNVWIYVMD-UHFFFAOYSA-N 362.194 1.165 0 40 FDAB O=C(Nc1ccc2c(c1)COB2O)c1ccc(=O)n(-c2cccc(F)c2)c1 1776002753 BIBQSSSOVLLDBE-UHFFFAOYSA-N 364.141 1.447 0 40 FDAB CC(=O)N1CCN(C(=O)Cn2cc(-c3ccc4c(c3)CCC4)nn2)CC1 640790683 GTMHRCUHPMKZPE-UHFFFAOYSA-N 353.426 1.125 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C(=O)O)C2)[C@@H]1Oc1ccccc1 666543323 VDYRDJIGMYSHTM-JJXSEGSLSA-N 364.398 1.106 0 40 FDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1nc(-c2cnn(C)c2)no1 390830816 NQRFFMCRIPBOJW-JTQLQIEISA-N 371.353 1.283 0 40 FDAB O=C(C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21)N1CCOCC1 585095382 TZAUYUVJRXOQSB-MRXNPFEDSA-N 370.409 1.035 0 40 FDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1ccnn1C 585097245 JDCFUYPLLBECQE-GFCCVEGCSA-N 353.386 1.203 0 40 FDAB Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 681292275 XTCYBXJHOOFSQS-CYBMUJFWSA-N 363.439 1.760 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 97512860 WSQYGCZISUQBCA-CQSZACIVSA-N 357.458 1.544 0 40 FDAB O=C(c1ccc(O)nn1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585395777 RDEDWCASDPCQPR-AWEZNQCLSA-N 365.386 1.323 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 5875260 XCYREWYYJMGLKJ-UHFFFAOYSA-N 365.430 1.185 0 40 FDAB CC[C@@H](NC(=O)Cc1c(C)[nH]c2nc(C)nn2c1=O)c1ccc(F)cc1 12199969 DENZOROUIKROSB-OAHLLOKOSA-N 357.389 1.984 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(C)c2)CC1 13683437 OZIRLHSAIYPKEP-UHFFFAOYSA-N 368.455 1.782 0 40 FDAB O=C(CCCn1ccnc1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19403582 UEHGORIKQDVBSM-OAHLLOKOSA-N 355.442 1.572 0 40 FDAB COc1cccc(C(=O)NCc2cc(=O)[nH]c(N3CCC(C)CC3)n2)c1 19497057 FWFNOJCNLYIMAJ-UHFFFAOYSA-N 356.426 1.945 0 40 FDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(CC(=O)N(C)C)CCO1 19702653 QLLIMZZUIYDFTR-GFCCVEGCSA-N 362.455 1.117 0 40 FDAB Cc1ccc(NC(=O)c2cccc(=O)n2C)cc1C(=O)N1CCOCC1 568942672 YKYRBZDVPJYGBH-UHFFFAOYSA-N 355.394 1.418 0 40 FDAB O=C([C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCO1)N1CCOCC1 1889136150 DNVPSFJIWAGKDG-OAHLLOKOSA-N 374.359 1.645 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 245130833 UZUWUSVBHIEVFK-ZDUSSCGKSA-N 356.473 1.082 0 40 FDAB C[C@H]1SCC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 2711129 FVOLROBZMTWWLO-MRVPVSSYSA-N 357.229 1.878 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1C 4166069 SDUUAVHIXXFRMJ-UHFFFAOYSA-N 367.409 1.058 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2=CCCCC2)CC1 2055746482 MNQQFHJDJJJZLI-UHFFFAOYSA-N 359.474 1.830 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)CCc1ccc[nH]1)CC2)c1cnccn1 2055796142 CYXFKZYZUVHGHJ-QGZVFWFLSA-N 367.453 1.939 0 40 FDAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1 38483351 BPXKAVHDNTXNSQ-UHFFFAOYSA-N 352.398 1.093 0 40 FDAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c(C)c1 10233809 KGNYDINVWBLVBA-UHFFFAOYSA-N 369.425 1.048 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)ccc1=O 40068549 ZTIWFAIIWGLZBE-UHFFFAOYSA-N 371.422 1.990 0 40 FDAB CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 31284720 OAQCWJLAZOQSQJ-AWEZNQCLSA-N 355.394 1.555 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 50955069 VYFHCIDVENDUGX-UHFFFAOYSA-N 369.454 1.826 0 40 FDAB O=C(Nc1nncs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 21215024 NUIUCDQQSRWRLC-SNVBAGLBSA-N 370.431 1.717 0 40 FDAB CCOC(=O)Cc1nnc(S[C@@H](C)C(=O)N(C)C)n1Cc1ccco1 29987672 RPUCZOVHQHWQRL-NSHDSACASA-N 366.443 1.594 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)n1nnc2ccccc21 783157 ANSADXNILPKQOT-UHFFFAOYSA-N 372.406 1.141 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCC[C@@H]1CO)C2=O 79096750 HJTNHTVZXDKUOS-OOWFEOPPSA-N 351.447 1.154 0 40 FDAB C[C@@H](CNS(C)(=O)=O)OC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 79106400 GFNBAKOUBWUWRQ-DZGCQCFKSA-N 368.455 1.020 0 40 FDAB CCc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)s1 79110978 QLHLOJGDTCUVHX-GFCCVEGCSA-N 365.480 1.899 0 40 FDAB Cc1cc(=O)c(O)c(CN2CCN(CCOc3ccccc3)CC2)n1C 79480240 ZDPIQSUGXLKGHU-UHFFFAOYSA-N 357.454 1.596 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 79502009 BYPPOVZOLTUQOP-INIZCTEOSA-N 367.453 1.618 0 40 FDAB COCCNC(=O)COC(=O)c1cccc(OCc2c(C)noc2C)c1 3469883 GWVNOXVOFJIHCV-UHFFFAOYSA-N 362.382 1.790 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 6241322 RNTRZMJWDLBLJS-HIFRSBDPSA-N 370.361 1.988 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc(N(C)C)nc1 22420232 KQIRTLGMNSYCFX-UHFFFAOYSA-N 367.431 1.060 0 40 FDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NCc1ccco1 8762513 DIXOAOLMIGBPQY-UHFFFAOYSA-N 369.333 1.304 0 40 FDAB Cc1ccc([C@H](C)NC(=O)CN2CCC(NS(C)(=O)=O)CC2)cc1C 54146186 FGLREJGWMHSCTB-HNNXBMFYSA-N 367.515 1.494 0 40 FDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1cccnc1 12374790 IWKWCYHKNWYALJ-CQSZACIVSA-N 356.304 1.564 0 40 FDAB O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)N2CCCCC2)CC1 42676573 CIPTWZWHFLFBKF-UHFFFAOYSA-N 364.471 1.697 0 40 FDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 106152133 GSMKNLSBCFZLRD-SDDRHHMPSA-N 370.409 1.097 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1CN1C(=O)NC2(CCCCC2)C1=O 24992112 MBVVDIPOCWSZKL-LBPRGKRZSA-N 355.460 1.179 0 40 FDAB Cc1ccc([C@@H]2N=C(NC[C@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 104138203 CSKUUUAXGAGGTK-NVXWUHKLSA-N 353.426 1.957 0 40 FDAB C[C@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 25099949 DRSFGUKYQBMZOO-JKIFEVAISA-N 366.483 1.213 0 40 FDAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 12560523 MADQRFXDWUFDMN-UHFFFAOYSA-N 355.393 1.589 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)c1nc3nccc(C)n3n1)CC2 57331929 DJNBKSKBGXTLOL-UHFFFAOYSA-N 353.382 1.648 0 40 FDAB CN1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](c2ccccc2)C1 44225197 YXHSLZUYHFCTIU-INIZCTEOSA-N 351.410 1.011 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)Nc2ccc3c(c2)C(=O)NC3)no1 57558256 UZEBDFXBNNSOKZ-UHFFFAOYSA-N 360.395 1.537 0 40 FDAB O=C(NCCc1cccnc1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48234597 RIXRTHCPDHBJLR-UHFFFAOYSA-N 371.418 1.361 0 40 FDAB Cc1noc(CCNC(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)n1 171224832 LVEWGBRZMXKGNY-UHFFFAOYSA-N 363.443 1.458 0 40 FDAB CC(C)(C)NC(=S)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3313180 PUKIUSYHTPZWHV-UHFFFAOYSA-N 369.512 1.874 0 40 FDAB CC(=O)N(C)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 58179627 FOUIHAOILNWPGY-UHFFFAOYSA-N 374.422 1.105 0 40 FDAB COc1cc(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc(OC)c1OC 58292071 KBWHFIAREFJWEJ-TZMCWYRMSA-N 364.442 1.757 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O 2137593 SSSABMODNNUTPX-INIZCTEOSA-N 351.362 1.209 0 40 FDAB biogenic COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2146125 GJNUEPFYEZLHPP-NFFDBFGFSA-N 364.195 1.909 0 40 FDAB biogenic COc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)Nc1cc(C)on1 58408916 OQIFFRGGGSRVSP-UHFFFAOYSA-N 369.381 1.888 0 40 FDAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36359331 DEVVBVUHCZQJPT-INIZCTEOSA-N 359.382 1.166 0 40 FDAB O=C1C[C@@H](N2CCN(Cc3ccc(Cl)s3)CC2)C(=O)N1C1CC1 28741154 ZBHYXISNHKRXTG-CYBMUJFWSA-N 353.875 1.809 0 40 FDAB COCCN1CCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 48428596 USMHSFYDURHQLG-UHFFFAOYSA-N 368.861 1.834 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc4nnnn4n3)CC2)cc1 12919549 UIWJPIUEOGOWHZ-UHFFFAOYSA-N 373.442 1.093 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2Cl)s1 12945168 XUMIKXJPKIHKSR-UHFFFAOYSA-N 360.844 1.744 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 12924972 FWUYLAYKAYZZJZ-KRWDZBQOSA-N 371.422 1.433 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)COc2ccccc2)c1=O 12918249 DEVRVZMLGSVQAF-SNVBAGLBSA-N 356.300 1.406 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5053310 SFFNKJJLNNYPQB-HNNXBMFYSA-N 364.745 1.648 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1C)C1=C(COC1=O)N2 4495893 NHUIUSQTDZKKPA-CQSZACIVSA-N 367.405 1.634 0 40 FDAB O=C([C@H]1CCCCN1CC(=O)N1CCCc2ccccc21)N1CCOCC1 66893418 AXGRBEBRBUHGDL-LJQANCHMSA-N 371.481 1.679 0 40 FDAB CCN(C(=O)CSc1nnc(-c2ccco2)o1)[C@@H]1CCS(=O)(=O)C1 6654780 UFJGTLQYCJCLRT-SNVBAGLBSA-N 371.440 1.457 0 40 FDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCc1cn2ccccc2n1 23110552 NFWHFLXGIFHTIA-UHFFFAOYSA-N 351.341 1.500 0 40 FDAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 6941701 HDSYWMIZLWSQEF-UHFFFAOYSA-N 359.517 1.217 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(N)s1 7535984 MYNIMBHVEBJETO-UHFFFAOYSA-N 371.875 1.963 0 40 FDAB CCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OC 9499883 VOBRTLTVXFKKIC-UHFFFAOYSA-N 361.398 1.993 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c1C 17076198 QTNIHHISFANFRE-LBPRGKRZSA-N 372.344 1.489 0 40 FDAB Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)Nc1ccn(C)n1 84028340 HUMFSFQMEUCVJS-UHFFFAOYSA-N 374.216 1.990 0 40 FDAB O=C(NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1 95997942 BPCGGDSIZCWRPI-UHFFFAOYSA-N 361.405 1.758 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CCC21CCN(Cc2cccn2C)CC1 306137549 QZMBLADAMCJXNL-UHFFFAOYSA-N 357.458 1.262 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1 69077501 FBTWBPOLXFSTQW-UHFFFAOYSA-N 350.850 1.794 0 40 FDAB COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592305 LACFTFGEZZQLLS-DTWKUNHWSA-N 369.270 1.811 0 40 FDAB CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 36844417 UESJPGXXYVXBEI-UHFFFAOYSA-N 361.423 1.549 0 40 FDAB COC(=O)CCN(C(=O)Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 32641478 VOSHVLXNWYXKOO-ZDUSSCGKSA-N 373.858 1.461 0 40 FDAB COC(=O)c1ccc(NC(=O)COc2cc(C(=O)O)cc(C(=O)O)c2)cc1 217728870 IPOXDTVENZOSKI-UHFFFAOYSA-N 373.317 1.887 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1-n1cnnn1 36569295 ISXHFLOXVOGFKH-LLVKDONJSA-N 369.834 1.340 0 40 FDAB COC(=O)COc1c(I)cc(CO)cc1OC 34772819 WHXVDHBQLYFWSZ-UHFFFAOYSA-N 352.124 1.344 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218098453 FQVVFNIRUDSZMG-NUJGCVRESA-N 362.403 1.698 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCCOc2ccc(F)cc2)cc1 38490255 MNKMMAPUFVLIET-UHFFFAOYSA-N 360.341 1.746 0 40 FDAB O=C(N[C@@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1csnn1 96242835 VSKKRBGUYWIDNP-CQSZACIVSA-N 374.466 1.619 0 40 FDAB O=C(c1ccccc1F)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249755 ITFXRQHPOVINBR-RHSMWYFYSA-N 356.401 1.983 0 40 FDAB CN(C)CCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C 96037580 WUFMFSMEIMIEAP-UHFFFAOYSA-N 372.473 1.000 0 40 FDAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)n1 247896963 XWGPBVBZNQJASK-QGZVFWFLSA-N 359.470 1.620 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247522726 MCBCGOIOVPNFAC-CQSZACIVSA-N 374.422 1.376 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1cnccn1 257261631 LIEUSPBOUJTJSQ-YSHGAJCASA-N 368.437 1.252 0 40 FDAB CC(C)[C@H]1COC(=O)N1c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257227806 FQYVLOLYBPXWLY-CQSZACIVSA-N 368.459 1.597 0 40 FDAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCNC(=O)[C@H]1c1cccs1 585084928 KCGGIVVVVGHVIK-CYBMUJFWSA-N 372.372 1.972 0 40 FDAB COc1cncc(CN2C[C@@H]3CN(C(=O)c4cnn(C)c4C)C[C@]3(C)C2)n1 1091485400 ANMLMIULESMMQC-KUHUBIRLSA-N 370.457 1.121 0 40 FDAB CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc3c2oc(=O)n3C)C1 677424147 UHJAUANEQSIEHT-LBPRGKRZSA-N 355.398 1.763 0 40 FDAB Cc1nc[nH]c1C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575404510 MYUOMOWBHMTGAM-AWEZNQCLSA-N 351.472 1.861 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3F)C2)OC1 585105214 QKSSVVGXYQBOGQ-AWEZNQCLSA-N 356.463 1.746 0 40 FDAB CN(C)c1ncccc1CNC(=O)NCc1c(C(F)(F)F)cnn1C 585123189 BUQZEYBIHIDXKB-UHFFFAOYSA-N 356.352 1.899 0 40 FDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C1CCN(S(N)(=O)=O)CC1 47216460 HTWMOIRZSUJTKK-CQSZACIVSA-N 369.487 1.633 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1Cc2cc(Cl)ccc2O1 58159566 AHIXBNBFBQWDQU-OAHLLOKOSA-N 355.785 1.936 0 40 FDAB O=C([C@@H]1CCCCN1C(=O)c1ccco1)N1CCN(c2ncccn2)CC1 108659868 AHXLIADZSISORE-HNNXBMFYSA-N 369.425 1.413 0 40 FDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 97696052 XXJPOLCUCJXGCE-SNVBAGLBSA-N 364.217 1.313 0 40 FDAB CCN1OC2(CCN(S(=O)(=O)c3ccc(C)cc3F)CC2)CC1=O 1549162383 PPUMJUREXUNHRQ-UHFFFAOYSA-N 356.419 1.841 0 40 FDAB Cc1cc(NC(=O)COc2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 17011579 ABRSFYBLZRFULL-GFCCVEGCSA-N 367.402 1.708 0 40 FDAB CC[C@@H](Oc1ccccc1F)C(=O)NCCc1nc(C)ncc1C(N)=O 19697438 SWXPMGHQMOBEBK-OAHLLOKOSA-N 360.389 1.539 0 40 FDAB CCCN1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1=O 19746158 RWMQNNVEMXJVCM-ZDUSSCGKSA-N 361.446 1.139 0 40 FDAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13[C@@H]2O 257404067 DFBIRQPKNDILPW-KUOQEUSJSA-N 360.406 1.103 0 40 FDAB biogenic Cc1ccc(OCCC(=O)N2CCO[C@@H](C(=O)O)C2)c(Br)c1 583650573 LEYCUVPTLNIFBZ-CYBMUJFWSA-N 372.215 1.838 0 40 FDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cc(O)ncn4)C[C@H]3C2)nn1 1888844636 SICGYDNPVCPOOJ-BETUJISGSA-N 368.441 1.478 0 40 FDAB c1nc(C2CCOCC2)cc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1888876463 TXHSTQWYERGXTJ-UHFFFAOYSA-N 365.441 1.969 0 40 FDAB O=C(Cc1ccccc1F)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888913336 PQLOPOPCNPPKCB-HUUCEWRRSA-N 366.400 1.401 0 40 FDAB Cc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1ccccc1 238820058 CKVUUAATGOEUSK-UHFFFAOYSA-N 364.471 1.175 0 40 FDAB CN(C1CCN(CC(=O)Nc2ccccc2F)CC1)S(=O)(=O)C1CC1 2087068932 XMVRWQYJOXHQPP-UHFFFAOYSA-N 369.462 1.653 0 40 FDAB COc1ccc(CCNC(=O)c2cnc3ccc(C)cn3c2=O)cc1OC 8604644 OGXSXHAZMUGVNF-UHFFFAOYSA-N 367.405 1.993 0 40 FDAB COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3cn[nH]c3)CC2)c1 2055750542 BHIKYQIEYSKTHI-UHFFFAOYSA-N 357.458 1.953 0 40 FDAB O=c1cc(C2CC2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 575607426 LSBCPTUQPRVVHH-UHFFFAOYSA-N 373.478 1.978 0 40 FDAB CCc1nccn1CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19523515 VDKGQIMQXSUFEZ-AWEZNQCLSA-N 354.458 1.287 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccn(C)n3)cc(C(C)C)nc21 32455531 QJAXQXCBSXXSJB-UHFFFAOYSA-N 356.386 1.214 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)O 21164218 UUSGKLWQZVWMDK-HNNXBMFYSA-N 352.412 1.223 0 40 FDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[C@@H](O)COCc1ccccc1F 32855894 RPRYPWITYQSEFQ-AEFFLSMTSA-N 372.396 1.866 0 40 FDAB CN(Cc1ccsc1)C(=O)COC(=O)c1csc(S(N)(=O)=O)c1 21839439 FNVPJOFZYGFBSO-UHFFFAOYSA-N 374.465 1.272 0 40 FDAB CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193237 KOZWJLFVLFOFHU-NSHDSACASA-N 355.441 1.796 0 40 FDAB CN1CCN(C(=O)c2nnc3sc(-c4ccc(Cl)cc4)nn23)CC1 57354671 NJFOZNHBTWRUDQ-UHFFFAOYSA-N 362.846 1.894 0 40 FDAB CN(CC(=O)N1CCNC1=O)c1ccc(I)cc1 55906427 FHFKFFFSWBYHHT-UHFFFAOYSA-N 359.167 1.279 0 40 FDAB O=C(CN1CCN(c2ccccc2O)CC1)NCc1ccc2c(c1)OCO2 57364042 NRHPQISLIBDODD-UHFFFAOYSA-N 369.421 1.559 0 40 FDAB Cc1ccc(CNC(=O)c2nnc(CN(C)CC(=O)N(C)C)s2)cc1 44759502 GHZDAZKJQMFJKJ-UHFFFAOYSA-N 361.471 1.297 0 40 FDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cscn1 58157069 VGHRRKBALFOVGD-UHFFFAOYSA-N 353.425 1.416 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(Br)cc2O)CC1 58215520 PJLFFZZMDNVWND-UHFFFAOYSA-N 370.247 1.001 0 40 FDAB COc1ccc(Br)cc1CNC(=O)C1=NN(C)C(=O)CC1 58216680 FWYGMTCGADNXPP-UHFFFAOYSA-N 354.204 1.682 0 40 FDAB COc1ccc(S(=O)(=O)NCCCOCC2CC2)cc1NC(C)=O 21700748 NDUNDVVFAPSDPO-UHFFFAOYSA-N 356.444 1.749 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1cccc2c1OCO2 58310361 IWEMSCZYIHXGOE-UHFFFAOYSA-N 362.407 1.400 0 40 FDAB CC(C)Cn1cnc(S(=O)(=O)NCCN2CCc3sccc3C2)c1 72307542 KOGSZOCYSRVWIH-UHFFFAOYSA-N 368.528 1.937 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc(C(C)C)no2)c1 29136561 XRZLJNDOPAEVEU-UHFFFAOYSA-N 354.432 1.434 0 40 FDAB Cc1c(C(=O)N2CCNC(=O)C2)cnn1-c1cccc(C(F)(F)F)c1 29558706 GYPHXUWKNKSQGT-UHFFFAOYSA-N 352.316 1.772 0 40 FDAB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(N)=O 5626557 HPABXKNLZDFXCM-SECBINFHSA-N 354.409 1.580 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1 14728860 ZAEAWTVTACXKMC-UHFFFAOYSA-N 372.410 1.636 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCOc2ccccc21 7138081 YLGYRSHFSDZAIR-INIZCTEOSA-N 365.389 1.720 0 40 FDAB O=C(Nc1ncn[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669587 FQWMDOCMIGYZPV-OAHLLOKOSA-N 371.422 1.750 0 40 FDAB NC(=O)c1ccsc1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 16659702 YAZSZZYHDLLPQJ-UHFFFAOYSA-N 362.342 1.442 0 40 FDAB COCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 17321429 QUCQPZAIVOAPBG-UHFFFAOYSA-N 352.390 1.902 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2CCN(c3ncccn3)CC2)c1 23731775 JPOTZUMQDCKXCS-UHFFFAOYSA-N 361.471 1.049 0 40 FDAB c1cnc(NC[C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]23)nc1 306136245 PNXNKTKOBBEFMN-HDMKZQKVSA-N 354.410 1.764 0 40 FDAB Cn1cc(CSc2nnc(N3CCOCC3)n2CC(F)(F)F)nn1 95446252 CZAFFLBHLZIEPO-UHFFFAOYSA-N 363.369 1.098 0 40 FDAB CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 95960994 UZHRWOUSQXYNOR-YPMHNXCESA-N 353.444 1.358 0 40 FDAB CN(C)Cc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)cc1 72392245 AHJUZKCKQLJLHU-FQEVSTJZSA-N 359.470 1.602 0 40 FDAB Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)no1 548350841 AGEZFFVMTURDGF-STQMWFEESA-N 351.382 2.322 0 40 FDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2scnc2C)CC1 306135437 OQQYOJQEOSQUFC-UHFFFAOYSA-N 360.487 1.631 0 40 FDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1 521394607 GIKVDQRLRPYZBK-WOPSIANGSA-N 351.472 1.194 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccccc3O)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13018363 QYHDAPSRVVKNBC-BLDNINTCSA-N 365.382 1.727 0 40 FDAB biogenic CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2S(C)(=O)=O)nc1C 72345481 YLFZFDVCTIGKPI-AWEZNQCLSA-N 354.476 1.754 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(N)=O)c3)ccc21 72264781 UKVIPUWSUQBTRN-UHFFFAOYSA-N 361.379 1.514 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN(c2ncnc(N)c2OC)CC1 568768087 GAWULELEJUCBCV-UHFFFAOYSA-N 370.457 1.391 0 40 FDAB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)[C@H]1CCn2ccnc2C1 329083508 SPNLPBYPSIYALC-BJLQDIEVSA-N 368.481 1.976 0 40 FDAB COc1ccccc1CNC(=O)c1coc(NC(=O)c2cnccn2)n1 75157965 LTQLEXAFGFVQMG-UHFFFAOYSA-N 353.338 1.656 0 40 FDAB O=C(c1ccc(F)cc1)N1CCc2nnc(COc3cncnc3)n2CC1 96084595 WWFOZASVDBCSIQ-UHFFFAOYSA-N 368.372 1.485 0 40 FDAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96076282 BEIDYFDDLOYFJL-FQEVSTJZSA-N 372.469 1.535 0 40 FDAB COCc1cc(N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)ncn1 577889005 NBCHDNNZZDZERO-QGZVFWFLSA-N 372.425 1.882 0 40 FDAB CCN(CC)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cscn3)C2)O1 96160237 KDZXKBWGDJCZKN-RHSMWYFYSA-N 353.488 1.875 0 40 FDAB Cn1cc(CN2CCC3(CC[C@H](C(=O)NCc4ccco4)O3)CC2)cn1 96109996 IRMUEMLFUYFKQF-QGZVFWFLSA-N 358.442 1.843 0 40 FDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96063095 XXWAPXSRDJRUSD-AWEZNQCLSA-N 351.472 1.373 0 40 FDAB O=C1N[C@@H](CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C(=O)Nc2ccccc21 96113937 SDMWCRRCKPGDGU-ZSOFBXJNSA-N 371.437 1.281 0 40 FDAB biogenic COC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC3CCCC3)c21 96198438 VNGGYDXOFIUPFV-OAHLLOKOSA-N 356.492 1.425 0 40 FDAB O=C(COCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 247744061 PTZLZSSNLOQUKS-GOSISDBHSA-N 362.474 1.448 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@H](COCC(=O)N(C)C)C1 247991464 LONBGXLSTGLOFV-KRWDZBQOSA-N 358.442 1.553 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 247960953 QMYZXVZWEWTKPQ-CYBMUJFWSA-N 354.407 1.092 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3c(C)noc3C)C2)ncn1 257321227 WARLKKAPDAWZTR-SFHVURJKSA-N 359.430 1.032 0 40 FDAB Cc1cc(-c2nccnc2C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH]n1 257264922 LWNUKROAFLPHQR-CYBMUJFWSA-N 364.475 1.236 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4ccc(C)nc4)C3)ccnc12 257229785 FZLYEOICAIYHRH-CQSZACIVSA-N 364.409 1.422 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 274217909 OFFBGGFPUJAHHW-CVEARBPZSA-N 367.471 1.194 0 40 FDAB CCc1cc(NC(=O)[C@H]2CCC(=O)N(CC)[C@@H]2c2ccnn2C)n(C)n1 622805038 VVSGCWLTITWNJJ-GUYCJALGSA-N 358.446 1.654 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)c1 1648219372 AYJPCVBDSJHTJX-CQSZACIVSA-N 351.410 1.952 0 40 FDAB Cc1nc(N)nc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1 631275015 YFZYPLRNQXQTMN-KRWDZBQOSA-N 353.474 1.159 0 40 FDAB CC[C@]1(CNC(=O)NCc2nnnn2C2CC2)OCCc2ccccc21 633965867 MRKINRZIUWAWDJ-GOSISDBHSA-N 356.430 1.685 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)OC(F)(F)O2 643946730 IGDISYAWJBULOQ-OAHLLOKOSA-N 356.325 1.375 0 40 FDAB COc1cc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)on1 585108551 DMKMUAMJKYIFQY-KMFMINBZSA-N 359.382 1.667 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(F)C2)O1 585108711 GHZCDSGHPFMHFQ-SWHNLWLKSA-N 361.417 1.594 0 40 FDAB Cn1nnc(-c2ccc(-c3ccc(N4C[C](CO)OC4=O)cc3F)cn2)n1 1560408697 VVCJJUJVOHOICO-UHFFFAOYSA-N 369.336 1.559 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCC(n2nnc3cccnc32)CC1 12221861 RVIASLBSAJPLKD-UHFFFAOYSA-N 351.414 1.906 0 40 FDAB CC(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(c2ccnn2C)C3)n(C)n1 12224692 YUUSUHNFMJYLCH-FSWDVZBNSA-N 357.458 1.932 0 40 FDAB C[C@@H](SCc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 18708950 LEJGACYDDOGQNJ-SECBINFHSA-N 367.858 1.824 0 40 FDAB O=C1CN(CC(=O)N2CCC(COc3ccc(Cl)cc3)CC2)CCN1 19660430 NKPQCMVSYOTVTR-UHFFFAOYSA-N 365.861 1.389 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C(C)C)C1)C2=O 19699902 ILVCFPSXYGUKPF-CQSZACIVSA-N 350.463 1.040 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 19716403 FECQQRIVPMEIKY-SFHVURJKSA-N 363.421 1.986 0 40 FDAB O=C(COc1ccccc1)N1CC[C@H](NC2CCN([C@@H]3CCOC3)CC2)C1 655763335 NMNYOEJMBRIANZ-RBUKOAKNSA-N 373.497 1.509 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 4099642 DCRRKHHNXJHXOB-UHFFFAOYSA-N 361.398 1.103 0 40 FDAB Cc1nc(N2CCN(c3cc(C4CC4)ncn3)CC2)cc(-n2cccn2)n1 1888901015 FSENLFICUJVREE-UHFFFAOYSA-N 362.441 1.965 0 40 FDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565547119 NMBORQAXKKPOBE-MIFYACCESA-N 363.483 1.229 0 40 FDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc2c(c1)OCCO2 4941486 PLAWPILHCKLBDC-CYBMUJFWSA-N 362.382 1.198 0 40 FDAB CN(C(=O)c1cn(C)nn1)C1CN(Cc2noc3ccc(Cl)cc23)C1 1775973665 QCKKXGYDTXCQEU-UHFFFAOYSA-N 360.805 1.566 0 40 FDAB CC1CCN(S(=O)(=O)c2nn(Cc3ccccn3)cc2C(=O)O)CC1 49411643 AFDTYAVPSDHLFF-UHFFFAOYSA-N 364.427 1.445 0 40 FDAB O=C(NCCn1ccnc1-c1cnccn1)c1cc(-c2cccnc2)on1 585147619 LHVHUELRVCKEBV-UHFFFAOYSA-N 361.365 1.820 0 40 FDAB CCN1CCN(C(=O)NC[C@H](c2ccco2)c2cccs2)C(=O)C1=O 585147717 MXOURLMULAESSC-GFCCVEGCSA-N 361.423 1.873 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 575611832 YAIAAIZBECEWFD-LLVKDONJSA-N 364.448 1.775 0 40 FDAB CCOC(=O)c1csc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)n1 5190247 KUZDKSHHUVPZNV-UHFFFAOYSA-N 372.399 1.871 0 40 FDAB C[C@@]1(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1(Cl)Cl 40043270 KMRZKWIUCMNHDT-ZDUSSCGKSA-N 362.257 1.941 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(N2CCCC2=O)cc1 30399293 FSYQRDPIEUJQPU-UHFFFAOYSA-N 366.377 1.881 0 40 FDAB O=C(c1cc(-n2cnnn2)ccc1Br)N1CCSCC1 32073696 RFINNWHBZQMZSC-UHFFFAOYSA-N 354.233 1.614 0 40 FDAB O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2 101505373 KIBXGEWYSNLPIT-GOEBONIOSA-N 354.293 1.847 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3nnsc3Cl)CC2)C1 52710244 OTFORYFMYKSKBJ-CHWSQXEVSA-N 371.938 1.814 0 40 FDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC1CCCCCCC1 8876411 CDEWBNPAWKGENL-UHFFFAOYSA-N 358.236 1.528 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ncccc1O 22263984 OZHDKGUYVFNNOX-IBGZPJMESA-N 366.377 1.509 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(F)c(F)c1F 22372468 VILSOOFDQUXQHQ-UHFFFAOYSA-N 360.313 1.817 0 40 FDAB C[C@H](NC(=O)CSc1nc2ncccn2n1)c1ccc2c(c1)OCO2 10074299 VSDQATSZFPOTLL-JTQLQIEISA-N 357.395 1.823 0 40 FDAB CC(C)NC(=O)COC(=O)c1cc(I)ccc1N 8165913 YFFMSSPVIDNLHY-UHFFFAOYSA-N 362.167 1.555 0 40 FDAB Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@H]2C(=O)O)c1 107214467 BNLPBKHPBIITBM-HOCLYGCPSA-N 352.456 1.697 0 40 FDAB COc1ccc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)cc1OC 23235521 HPPYZCZJDOGVLI-UHFFFAOYSA-N 353.382 1.952 0 40 FDAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)NC(=O)NC3CCCC3)cc2NC1=O 12526511 UKTHXFRICHCOST-MNOVXSKESA-N 360.414 1.975 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCCOC1CCCCC1 106029312 MIPAFUYMVSBKEE-LBTBCDHLSA-N 360.454 1.649 0 40 FDAB CN(CC(=O)Nc1cccc(C(N)=O)c1)S(=O)(=O)/C=C/c1ccccc1 12621604 LTVBKUSORQBGLM-ZHACJKMWSA-N 373.434 1.657 0 40 FDAB O=C(CCNC(=O)NCc1ccccc1)NC[C@@H]1COc2ccccc2O1 10029777 CAYWGIWWEXDADD-MRXNPFEDSA-N 369.421 1.832 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O 10030021 AYTMDBMHPNEHEM-GFCCVEGCSA-N 374.418 1.843 0 40 FDAB Cc1cccn2c(=O)cc(CSc3nnnn3C[C@H]3CCCO3)nc12 10026963 TZSZPBMNVRIBMW-CYBMUJFWSA-N 358.427 1.461 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(Cc2csc(-c3ncccn3)n2)C1 48261751 GZZNTEHXCJXNBD-NSHDSACASA-N 353.473 1.114 0 40 FDAB Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c(Br)c1 3354509 KYDDWCQODIDZLE-UHFFFAOYSA-N 354.248 1.893 0 40 FDAB O=C(CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)NCc1ccco1 58179734 FZADIGVYMYYQLE-AWEZNQCLSA-N 374.416 1.861 0 40 FDAB O=C(NCCCCn1ccnc1)N[C@@H]1CCN(Cc2ccccc2)C1=O 58201668 LOUWQMURXNQGSL-QGZVFWFLSA-N 355.442 1.764 0 40 FDAB O=C(CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1)NC(=O)NC1CC1 58277523 XSJZZDHZLVNTLY-GOSISDBHSA-N 366.421 1.944 0 40 FDAB COc1cccc(N2CCN(C(=O)c3cnn4c(=O)cc(C)[nH]c34)CC2)c1 67225549 DQYHNJAKFFRRBP-UHFFFAOYSA-N 367.409 1.302 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccccc2)n1 36358143 AHYZKVSFJOJIMO-UHFFFAOYSA-N 352.350 1.678 0 40 FDAB Cn1cc([C@H](C(=O)O)N2CCC(C(=O)O)CC2)c2cc(C(=O)O)ccc21 36359335 JWWCBAIQTRSAJZ-OAHLLOKOSA-N 360.366 1.799 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCCNC(=O)c1ccc(OC)cc1 25102707 SEMJWBOACJNLDZ-INIZCTEOSA-N 364.442 1.909 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1cccc(Cl)c1 2334064 TZUMFEKVHNXORB-UHFFFAOYSA-N 369.606 1.888 0 40 FDAB NC(=O)CCS(=O)(=O)CCN(Cc1c(F)cccc1Cl)C1CC1 12797836 WCASTTFLVYEHQO-UHFFFAOYSA-N 362.854 1.734 0 40 FDAB O=C(COC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NC1CC1 28991024 PBDTWSBTVHBPQI-RUDMXATFSA-N 364.423 1.062 0 40 FDAB NC(=O)c1cc(NC(=O)CN2CCC[C@H]2c2cccs2)cc(C(N)=O)c1 12996032 NOMPONSCTBGXNN-AWEZNQCLSA-N 372.450 1.722 0 40 FDAB CCOCCCNC(=O)[C@H](NC(=O)CNC(C)=O)c1ccc(Cl)cc1 4103819 QBQGZJINJNMLOJ-MRXNPFEDSA-N 369.849 1.176 0 40 FDAB COc1ccc(Cn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 4314072 WKGLVBBYSGDRRD-UHFFFAOYSA-N 367.409 1.360 0 40 FDAB C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3CCS(=O)(=O)C3)c2C(N)=O)C1 4392489 HRXOFISPFTVCKS-NXEZZACHSA-N 370.496 1.735 0 40 FDAB O=C1CN(C(=O)CSc2nnnn2C2CCCC2)c2ccccc2N1 14070522 RYSTUPUEQXCBJQ-UHFFFAOYSA-N 358.427 1.866 0 40 FDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 65783830 KDAHSVJQLFASAN-XYJFISCASA-N 373.497 1.887 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc(C)no1)CC2 7007505 DLNSRUNMDTUQSK-UHFFFAOYSA-N 360.366 1.742 0 40 FDAB CCOC(=O)Cc1csc(SCC(=O)N2CCCC[C@H]2C(N)=O)n1 7484899 YHOPBOPIAAMKSJ-NSHDSACASA-N 371.484 1.207 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3C(=O)NC3CC3)nc2n1 7814297 LCNWSNFNCRCJJY-UHFFFAOYSA-N 350.382 1.886 0 40 FDAB COc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)nc2)c1 9810068 BOXYWZVXLQBADR-UHFFFAOYSA-N 356.426 1.926 0 40 FDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 84380069 HDWWQVGPSRXKLP-UHFFFAOYSA-N 352.343 1.441 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)cc1 84405188 WQWTWMJZRWJBMQ-CJNGLKHVSA-N 352.456 1.643 0 40 FDAB NC(=O)NC(=O)OCCCSc1n[nH]c(=O)n1CCc1ccccc1 84529231 UWMRBEIVAMPAPC-UHFFFAOYSA-N 365.415 1.101 0 40 FDAB CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@]12CCN(Cc1ccco1)C2 306144879 ZRFZAXQUYBWEAR-LJQANCHMSA-N 370.457 1.244 0 40 FDAB COC[C@@](C)(CC(=O)O)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 95989841 FFGXWOKBLZDSSQ-MRXNPFEDSA-N 353.375 1.783 0 40 FDAB Cc1cc(S(=O)(=O)NCCCN2CCCC2)ccc1N1CCCC1=O 38755017 VZBDAEJGMSMLIJ-UHFFFAOYSA-N 365.499 1.886 0 40 FDAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)N(C)C)cc1 23976215 PWGIRIQFKKKIDA-INIZCTEOSA-N 359.426 1.827 0 40 FDAB Ic1nc(I)c2[nH]cnc2n1 43193692 HNCFPTJMAVGCEI-UHFFFAOYSA-N 371.907 1.562 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)CC)cc1 225959589 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IGFQGCNVTJLDTG-UHFFFAOYSA-N 357.410 1.420 0 40 FDAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 243559287 OLARDHWTPXWSGK-UHFFFAOYSA-N 362.451 1.641 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)CCc3ccccc3)C2)CN1CC1CC1 247938919 HVAHNEVYNUNUBA-SFHVURJKSA-N 371.481 1.057 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@H](Cc2cc(C(=O)N(C)C)ncn2)C1 257315213 VAKHXYCKYSFDED-CQSZACIVSA-N 368.441 1.372 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cccn3C)cn2)CC1 257329771 XLMAPYOLTMXQKX-UHFFFAOYSA-N 355.442 1.546 0 40 FDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ncccn1 257301635 RZFAFUSSCFUTCA-RGCFKVTRSA-N 360.458 1.527 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@](O)(CN2CCOCC2)CC1 257313091 UQZYLEFPOAKZGJ-IBGZPJMESA-N 358.442 1.252 0 40 FDAB O=C(Cn1ccc(=O)c2ccccc21)NC[C@H]1CCC2(CC(C(=O)O)C2)O1 1605725803 RUDGRSOVOHYARZ-LQZXRHCMSA-N 370.405 1.530 0 40 FDAB O=C1[C@H]2Nc3nc(N4CCCCC4)nc(O)c3[C@H]2C(=O)N1c1ccccc1 618257480 XIXUVUSILNNJTF-OCCSQVGLSA-N 365.393 1.624 0 40 FDAB COCCn1cc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)cn1 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Cc1nc(/C=C/C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cs1 585290683 SXYFSFKANVGNKN-SYFBOWRASA-N 351.472 1.195 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 585113078 ZCKXUBASDQEJRW-DVOMOZLQSA-N 361.442 1.856 0 40 FDAB Cc1ccc(OCc2nnc3n2CCN(C(=O)c2cocn2)[C@H]3C)cn1 585096992 GLHHDTCYNBWCGZ-LBPRGKRZSA-N 354.370 1.766 0 40 FDAB CCc1ccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cc1 585112146 JBGQYWCQUBGXKD-GOSISDBHSA-N 362.499 1.942 0 40 FDAB Cn1ccc(CC(=O)N2CCOC[C@H]2c2nccc(N3CCCCC3)n2)n1 585113114 BQRBFVYPTAJAOY-INIZCTEOSA-N 370.457 1.343 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1S(C)(=O)=O 585103967 XGQVEIPWLXKMBK-ZDUSSCGKSA-N 362.467 1.168 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 44719690 VSGLLNCUCGKTTJ-SJLPKXTDSA-N 371.481 1.923 0 40 FDAB CN(C(=O)C1(c2ccccc2)CCOCC1)C1CN(c2cnccn2)C1 1776001186 CYVGNKATZLOBBP-UHFFFAOYSA-N 352.438 1.872 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103234044 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10753586 UTSNRZYJJVYIBE-LBPRGKRZSA-N 350.362 1.947 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1F 1888897702 LREFJXCZQGJBOI-UHFFFAOYSA-N 368.420 1.874 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888913639 IZWLCODMSQBCFX-KBPBESRZSA-N 366.450 1.932 0 40 FDAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2ncnn2C)CC1 1888944452 OZNKGNBDCHCBJZ-UHFFFAOYSA-N 370.432 1.885 0 40 FDAB Cc1ncoc1C(=O)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985022 VFQAVBFLDVZPNH-IBGZPJMESA-N 355.394 1.879 0 40 FDAB CSc1nccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087128262 XUHCMUWKBSCVDQ-NSHDSACASA-N 358.414 1.661 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 1565543084 UKAIYVYENHHTGV-OXJNMPFZSA-N 369.421 1.758 0 40 FDAB O=C(N1CCOCCOc2ccccc2OCCOCC1)C(F)(F)F 3897293 HIFANQULVAUTPE-UHFFFAOYSA-N 363.332 1.882 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1F 4139840 QESJLWSYNDMUEJ-UHFFFAOYSA-N 364.340 1.755 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)n2[C@H]1C 8724565 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CCCCCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1 4416379 NHSGVJSJJZUYEY-UHFFFAOYSA-N 369.487 1.086 0 40 FDAB Cc1nc2ccc(OCC(=O)O)cc2c(=O)n1-c1ccc2c(c1)OCO2 12297044 OHFYAPXJZZVQTH-UHFFFAOYSA-N 354.318 1.886 0 40 FDAB biogenic CC(C)COC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 8816037 QJVRCDBKVLXGRC-CHWSQXEVSA-N 350.371 1.582 0 40 FDAB O=C(CNC(=O)Nc1nnc(Cc2ccccc2)s1)NCC(F)(F)F 47348704 JCGMNKXPXCVEBC-UHFFFAOYSA-N 373.360 1.929 0 40 FDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(C(C)=O)c[nH]1 23893190 JJLCQFITRPWRLL-UHFFFAOYSA-N 370.409 1.807 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H](ON2C(=O)c2ccccc2)[C@@H]2[C@H](C)C(=O)N21 105488719 IGNFLHPTHATALL-DRPJVOAASA-N 371.393 1.949 0 40 FDAB O=C(NCc1ccccc1Br)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101223051 HXAFKQFUZSHYEW-RVMXOQNASA-N 354.200 1.944 0 40 FDAB CCNC(=O)COc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 57117952 PFAYMCJPKPOWPL-UHFFFAOYSA-N 374.422 1.879 0 40 FDAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1S(N)(=O)=O 12553110 VGVXZOCKBDEXIE-UHFFFAOYSA-N 356.350 1.938 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc3nsnc3c2)c1=O 57743910 XIUOBZJAUBSJKA-UHFFFAOYSA-N 368.378 1.729 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 58216082 UFEHDWQIXUNIQX-UHFFFAOYSA-N 356.470 1.771 0 40 FDAB CN1CCN(c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)CC1 12614353 ZFUICTJZSDVMPE-UHFFFAOYSA-N 366.512 1.812 0 40 FDAB CCn1c(S[C@@H]2C[C@H](C)OC2=O)nc2cc(S(N)(=O)=O)ccc21 12628207 KCEKVRXRMDKOAT-QPUJVOFHSA-N 355.441 1.500 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 170268856 YNQARHISGNRTDG-GFCCVEGCSA-N 354.384 1.075 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)cc1 22930264 PPNLFOSLPQPBOW-UHFFFAOYSA-N 372.513 1.954 0 40 FDAB COc1ccc(-c2c(C(C)=O)c(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 36423504 BGVFRFHNUMRXAK-UHFFFAOYSA-N 353.378 1.819 0 40 FDAB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)[C@H]3CCCO3)nc2N1 2413127 PPIBKJLRFYZDKL-VXGBXAGGSA-N 361.789 1.981 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12914840 SGEQDKULCOPOEG-MRXNPFEDSA-N 374.418 1.511 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(Br)c[nH]1 12986768 AGZCWSULACXZIW-UHFFFAOYSA-N 361.192 1.394 0 40 FDAB CCCC[C@H](NC(N)=O)C(=O)NCCNC(=O)c1ccccc1Cl 69950353 BIEDBODXFNFEQV-ZDUSSCGKSA-N 354.838 1.413 0 40 FDAB C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCC1 6001916 HPGBJTDEOGWGTK-LBPRGKRZSA-N 372.418 1.000 0 40 FDAB O=C(CSc1nnc2ccccn12)NN1C(=O)NC2(CCCCC2)C1=O 6115004 UHDAPTYMRZSKBF-UHFFFAOYSA-N 374.426 1.107 0 40 FDAB C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 5277938 WTIRWRPTDCKSJW-LBPRGKRZSA-N 358.394 1.649 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN(CCC(N)=O)Cc1ccccc1 14076002 DUMZBEPAMCCYKB-UHFFFAOYSA-N 369.421 1.789 0 40 FDAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCOCC1 14085838 BYBSMHSHWYZFKS-UHFFFAOYSA-N 374.409 1.224 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc3nnnn3n2)CC1 14135101 KBDLSRLJNVSEIC-UHFFFAOYSA-N 367.369 1.103 0 40 FDAB CCn1c(SCC(=O)OCC(=O)N(C)C)nnc1-c1cccs1 6507945 HUMDWDHIQIHYOD-UHFFFAOYSA-N 354.457 1.750 0 40 FDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 71328806 VIHOOUCHYJNYNP-OAHLLOKOSA-N 356.378 1.352 0 40 FDAB COc1ccc(CNC(=O)c2nnn(Cc3cccc(F)c3)c2N)cc1 4852548 KFNCSKKESYQSMM-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 6949017 FGTRLAKOASFRSP-UHFFFAOYSA-N 374.447 1.825 0 40 FDAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 96008249 BTAJEMNOMFRLNQ-GOSISDBHSA-N 356.470 1.924 0 40 FDAB CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C 15736247 FRTUKFCCWQWCTQ-OAHLLOKOSA-N 355.460 1.345 0 40 FDAB CCCCN(C(=O)c1cnc(C)cn1)c1c(N)n(CCC)c(=O)[nH]c1=O 7814343 VGTFUPCTUBQHPX-UHFFFAOYSA-N 360.418 1.074 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)CCCn1c(=O)oc2ccccc21 7988740 OJYGGJXTLKADBR-UHFFFAOYSA-N 371.393 1.743 0 40 FDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccccc1N1CCN(C)CC1 95408304 AKBWSZYMZCWJJM-HUUCEWRRSA-N 359.474 1.556 0 40 FDAB CC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 306142276 WVJPBXUDEJRFBG-LPHOPBHVSA-N 362.426 1.301 0 40 FDAB O=C(COc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 67896881 JLMNNLJVJCXEKV-VQIMIIECSA-N 356.378 1.253 0 40 FDAB biogenic,in-vitro C[C@@H](NS(C)(=O)=O)C(=O)N1CCCN(c2ccccc2Cl)CC1 516602866 CFJOCJXDKVDLSU-GFCCVEGCSA-N 359.879 1.316 0 40 FDAB NC(=O)c1ccc(NC(=O)CCn2c(O)nc3ccccc3c2=O)cc1 524732772 MREANFBVYGQMKV-UHFFFAOYSA-N 352.350 1.230 0 40 FDAB Cc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1-n1cnnn1 33082498 JCHTVGHFCOSYIY-UHFFFAOYSA-N 354.414 1.558 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NCCO 217604676 AJSJFJVXUKWGPY-UHFFFAOYSA-N 350.396 1.268 0 40 FDAB CCN=c1nc(NC(C)(C)C)[nH]c(=NCc2ccc(NC(C)=O)nc2)[nH]1 566519221 MBBSSESPXAKSAX-UHFFFAOYSA-N 358.450 1.323 0 40 FDAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1OC 72227674 GKHIIJWFRSSHBW-ZWKOTPCHSA-N 356.378 1.890 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSc2ccc(C)cc2)s1 223305350 YJKORNXSDQXQPO-UHFFFAOYSA-N 372.497 1.876 0 40 FDAB CCCCc1ccc2[nH]cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c2c1 44901785 BJKJONHSXXMXSE-CYBMUJFWSA-N 362.451 1.788 0 40 FDAB C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 44379226 AIICTNVPVPNSDQ-JSGCOSHPSA-N 368.455 1.307 0 40 FDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 41058335 AOCIXEIQGCVGEC-HNNXBMFYSA-N 356.419 1.228 0 40 FDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccn2C)C1 96208885 LQQYAACSECFNIL-BEFAXECRSA-N 358.442 1.508 0 40 FDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96225529 PKUCUMVSTXNJOB-HNNXBMFYSA-N 371.484 1.524 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccncc4)C3)C2)nn1 96240566 SNPYKHLKJHRBOP-UYAOXDASSA-N 369.469 1.900 0 40 FDAB O=C(Cn1cncn1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099893 KNKBAMRFZSTPMS-UHFFFAOYSA-N 360.468 1.812 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 96056964 MJQQMYQUMRYTLZ-CRAIPNDOSA-N 350.415 1.396 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccccc3)C2)CN1c1cccnc1 96240160 BODXKFYFZXKMLT-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)O2)CC1 96083183 WIZMIRAJYJBAOE-GUDVDZBRSA-N 361.461 1.722 0 40 FDAB CCc1ccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)o1 96159173 JXAPYFDJKZUUIQ-UHFFFAOYSA-N 358.442 1.974 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3cncs3)cn2)C1 257344219 ZWEPVPWLUZMMQG-GFCCVEGCSA-N 367.500 1.661 0 40 FDAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2c1nc(C)cc(C(F)(F)F)n1 544393606 BOWVMYGSDHBKLR-LSKIRQOJSA-N 373.331 1.733 0 40 FDAB CN1CCC(Cc2cnc(CNS(=O)(=O)C3CCCC3)cn2)CC1 257211032 BXGQGBFPMJYLJU-UHFFFAOYSA-N 352.504 1.723 0 40 FDAB C[C@@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCn2ccnc2)C1 257342537 ZPBRLMLIQZGYGR-LJQANCHMSA-N 362.474 1.445 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cncnc2)CC[C@@]1(C)O 604382191 JRQMHKQAFGCRKD-SLFFLAALSA-N 370.453 1.306 0 40 FDAB biogenic,in-vitro CC(C)(NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1cccs1 608137145 SALAMJGVTQJLQT-FIXIBIHLSA-N 362.451 1.652 0 40 FDAB NC(=O)c1ccc(N2CCN(C(=O)c3ncc4n3CCCC4)CC2)cc1 631362021 XXZRLAKNMQOQKH-UHFFFAOYSA-N 353.426 1.281 0 40 FDAB O=C1[C@@H](N2CC[C@@H](c3cc(O)nc(O)n3)C2)CCN1c1ccccc1F 639716836 RDCHFYMVYMRFGQ-ABAIWWIYSA-N 358.373 1.622 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@](O)(C4CC4)C3)CC2)c1 661634428 ZWHXCQCPHVEZRY-JOCHJYFZSA-N 371.525 1.876 0 40 FDAB CCN(C)c1ccccc1CNC(=O)N1CCC2(CC1)OCC(=O)N2C 1615590436 PBILRSRNUADCAK-UHFFFAOYSA-N 360.458 1.633 0 40 FDAB O=C(Cn1cnc2c1CCNC21CCOCC1)N1CCc2ccccc21 1615590446 PHJPLJTYABOYQS-UHFFFAOYSA-N 352.438 1.624 0 40 FDAB Cc1nc(CCNS(=O)(=O)c2cnc3ccccn23)nc2c1CCCC2 1775983820 TUZXGLGVTMMPEP-UHFFFAOYSA-N 371.466 1.833 0 40 FDAB O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)C1 575420851 FCSUPQHQRDODQL-UONOGXRCSA-N 359.469 1.043 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N(C)Cc2ccccn2)C1 585095742 HUNMJHHBNKIZJI-OLMNPRSZSA-N 367.453 1.866 0 40 FDAB CCOCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@H]2C 585096850 DRBNBMVIHNZUOX-NSHDSACASA-N 354.407 1.719 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108573 HGPMWDJQKSHHNU-HBFSDRIKSA-N 368.437 1.779 0 40 FDAB C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1 585097748 NUFUBMZQWRPRNO-GFCCVEGCSA-N 359.405 1.965 0 40 FDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)Cc1c(C)nc2ccccn12 585279019 RYIDTEUPLZJBDV-IBGZPJMESA-N 358.442 1.329 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)o1 680988940 MHFHIPYQGXXCKG-UHFFFAOYSA-N 363.439 1.707 0 40 FDAB COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3nc(C)cc3C)[C@H]2O)c1 952844988 XJHBVTCXUGJNRI-IEWDOMPSSA-N 359.426 1.324 0 40 FDAB biogenic,in-vitro Cc1csc(NC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)n1 85436895 YOHJYNNGOGILIV-ZDUSSCGKSA-N 350.444 1.334 0 40 FDAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCC[C@H]1CN1CCOCC1 73625524 WTTDTHLDETYVDQ-KRWDZBQOSA-N 370.457 1.274 0 40 FDAB CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CC3(N)CCC3)CCO2)cc1 638464907 OKRJBQMGCXEACS-OAHLLOKOSA-N 352.456 1.262 0 40 FDAB CCN1OC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1=O 1549162999 XRHRSCDNMZVSMY-UHFFFAOYSA-N 352.456 1.609 0 40 FDAB O=C(c1ccc(O)nc1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615159109 SXQQPJVOVSKERV-LJQANCHMSA-N 371.368 1.574 0 40 FDAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOCCNC1=O)CCNCC2 1615141079 JFCNHYNXSBUGAL-INIZCTEOSA-N 353.507 1.594 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160433 RGDLOIQCOYELRO-LJQANCHMSA-N 352.394 1.515 0 40 FDAB Cc1c(C)n2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1C 5144742 OFXPRKDKZRYELG-UHFFFAOYSA-N 365.393 1.186 0 40 FDAB CC(C)CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1C 5499444 LFXOYKJISYEARX-UHFFFAOYSA-N 361.471 1.980 0 40 FDAB O=C(CN1CCC2(CC1)NC(=O)c1ccccc1O2)NCc1cccs1 12145766 JMPSWHKQOYKCKX-UHFFFAOYSA-N 371.462 1.979 0 40 FDAB CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)COC 19520551 CTWIMOGSOSGTRS-LBPRGKRZSA-N 351.353 1.730 0 40 FDAB COc1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc(OC)c1O 19576657 RUANHXLCBZTHDG-HIFRSBDPSA-N 371.437 1.963 0 40 FDAB COc1ccccc1-c1noc(C)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 19579674 WTDYSRKGCUZMQY-QGZVFWFLSA-N 364.423 1.966 0 40 FDAB O=C(C[C@H]1CCCO1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19748583 WJMHSCRSBREVCT-GOSISDBHSA-N 357.454 1.363 0 40 FDAB Cn1nnc2c(N3CCC[C@@H](CNC(=O)c4ccccc4)C3)ncnc21 663689241 ICYJZVCAPZYXEI-ZDUSSCGKSA-N 351.414 1.405 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(C)nc5ccnn45)C[C@H]3C2)n1 1888876296 KQUOMURLFICCRI-KBPBESRZSA-N 351.414 1.409 0 40 FDAB Cc1nnc(CN2CC[C@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)o1 1888876311 RKEDELRVNPWALM-LBPRGKRZSA-N 361.427 1.033 0 40 FDAB COc1cnc(O[C@H]2CCN(Cc3noc(C4CCOCC4)n3)C2)nc1 2086978721 VCJPMXTXADZKMG-ZDUSSCGKSA-N 361.402 1.416 0 40 FDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@H]2C(=O)N1Cc1ccccc1 2087133671 AOGXOIJSDXJEBB-HZPDHXFCSA-N 350.422 1.515 0 40 FDAB CC(C)N(C)CC(=O)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565548464 ZBJRFZDDYGSJFY-UHFFFAOYSA-N 369.473 1.445 0 40 FDAB O=C(NCCCn1ccnc1)C(=O)Nc1cccc(N2CCCC2=O)c1 10325388 ONBDHGQOZHQHIZ-UHFFFAOYSA-N 355.398 1.155 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 15081201 WWEOPSIWOFOHFC-DHSIGJKJSA-N 362.382 1.448 0 40 FDAB CS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccnc2)CC1 2055759255 CRIWIHWWBHDQAY-UHFFFAOYSA-N 374.466 1.926 0 40 FDAB CN([C@H]1CCCN(CC(=O)Nc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 2086875467 JNVJQVUTKGMQCN-HNNXBMFYSA-N 369.462 1.653 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@H](OCCO)c2ccsc2)cn1C 575621751 SSMQRBAOHKPVRD-ZDUSSCGKSA-N 373.500 1.634 0 40 FDAB Cn1cnnc1CNC(=O)COc1ccc(Cl)cc1Br 40063337 KCDNGXNFOFCNPW-UHFFFAOYSA-N 359.611 1.926 0 40 FDAB Cc1cccc(OCCNC(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1 40150060 TZQLZKXYBDGLMY-UHFFFAOYSA-N 372.425 1.838 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc(=O)[nH]c1C 31618124 LBTNYQWDORZWCE-GXSJLCMTSA-N 353.444 1.652 0 40 FDAB COc1c(Cl)cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1Cl 21474773 KDAIRIJTOWRXEJ-UHFFFAOYSA-N 372.208 1.816 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c1 60348891 BLBDZEMKLZMIEZ-AWEZNQCLSA-N 355.412 1.389 0 40 FDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NC1CCCC1 11904551 XBBFSKMDODMKRR-UHFFFAOYSA-N 372.468 1.282 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 1475569 VTMCIHMBWRZKOY-SFHVURJKSA-N 355.438 1.846 0 40 FDAB O=C(c1ccccc1-n1cnnn1)N1CCN(CCc2ccccn2)CC1 79481957 MGZMGJSDQNZGQV-UHFFFAOYSA-N 363.425 1.058 0 40 FDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2ccc3c(c2)OCC(=O)N3)C1=O 103608605 GTZLDZCFMUFCMH-HNNXBMFYSA-N 350.334 1.088 0 40 FDAB CCc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 22786732 WYTSKWIUDUEHND-UHFFFAOYSA-N 358.486 1.428 0 40 FDAB CN1CCN(c2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CC1 101706805 OHAAZBGQBYCEPS-UHFFFAOYSA-N 374.872 1.014 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819424 DIXZIYPBWQQWHW-DOTOQJQBSA-N 358.369 1.707 0 40 FDAB C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(-n2cncn2)cc1 173766434 HLBZPNYECBNPFN-MAUKXSAKSA-N 370.457 1.444 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 26102545 LRHCDNPXDBHVJN-HWKANZROSA-N 350.440 1.175 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 26455342 LOSGGYFXWUWTSY-KBXCAEBGSA-N 359.451 1.971 0 40 FDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cn2ccccc2n1 12548373 DATNABARPAMWHH-UHFFFAOYSA-N 358.423 1.329 0 40 FDAB COc1ccc([C@H](O)CNC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1 58130484 HNZABCSWKTULJZ-GOSISDBHSA-N 367.405 1.599 0 40 FDAB CN(C)CCCNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 54360952 JYZFQIQDMLLGGA-UVTDQMKNSA-N 365.430 1.930 0 40 FDAB C[C@@H](C(=O)N[C@H](C(=O)O)c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 2133130 QWLAEQJIZIKWIV-NHYWBVRUSA-N 367.361 1.193 0 40 FDAB biogenic NC(=O)CN1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 58307211 AMXFOPXIBSFTJN-UHFFFAOYSA-N 362.817 1.628 0 40 FDAB CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(F)ccc21 2265161 SGKBUIGNKZVLMY-INIZCTEOSA-N 364.402 1.738 0 40 FDAB COc1c(Cl)cc(C(=O)NC(=S)Nc2nnn(C)n2)cc1Cl 2207325 GWDQSUPQAMHGIA-UHFFFAOYSA-N 361.214 1.652 0 40 FDAB COCCn1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 2240472 FSCVETXEQLGNFK-LBPRGKRZSA-N 369.425 1.722 0 40 FDAB CNC(=O)c1ccc(CNC(=O)NCc2ccc(C(=O)NC)cc2)cc1 45541687 BBOPAMKSEXMQPT-UHFFFAOYSA-N 354.410 1.405 0 40 FDAB CNC(=O)CN(C(=O)COc1cccc(F)c1)c1ccccc1C(=O)NC 12781506 MHJWZFCIEXAHEL-UHFFFAOYSA-N 373.384 1.343 0 40 FDAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O 12988480 KKMCQDIQHYNBJZ-LLVKDONJSA-N 365.459 1.810 0 40 FDAB CC(=O)c1csc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n1 12933693 QEWSRBUAMBPDIG-UHFFFAOYSA-N 371.415 1.744 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)c2cccs2)cc1 13019106 ADBNBTUYYMLEJN-CYBMUJFWSA-N 364.448 1.917 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)ccc21 13306941 GLWIEHDUUVTSOS-OAHLLOKOSA-N 352.412 1.223 0 40 FDAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13691378 ASZRIHRMNJLCPQ-LBPRGKRZSA-N 371.393 1.045 0 40 FDAB Cc1ncsc1CN1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 306141688 WDXKRPLMFAPISF-MRXNPFEDSA-N 368.466 1.916 0 40 FDAB C[C@H]1CCc2c(sc(NC(=O)C[C@H]3CCS(=O)(=O)C3)c2C(N)=O)C1 4392491 HRXOFISPFTVCKS-VHSXEESVSA-N 370.496 1.735 0 40 FDAB CCOC(=O)c1cccc(OC[C@@H](O)CNC[C@H]2CCCN2CC)c1 22593144 OOCZRJFMQMCTMA-SJORKVTESA-N 350.459 1.677 0 40 FDAB Cc1csc([C@](O)(CC(=O)NCC(=O)NC(C)C)C(F)(F)F)n1 65533208 RBTSNYGEWOTEID-GFCCVEGCSA-N 353.366 1.232 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 14142272 ZWABXVCUTZWDKN-UHFFFAOYSA-N 364.755 1.856 0 40 FDAB COc1cc(C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc(OC)c1OC 4505109 SHRIKLMFAANZSF-INIZCTEOSA-N 357.428 1.362 0 40 FDAB Cc1ccc2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 6553880 NIYAJCNNDZCAHM-LLVKDONJSA-N 353.469 1.609 0 40 FDAB CCOC(Cn1cc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)nn1)OCC 71849897 VYBYQOABIXUBKW-GASCZTMLSA-N 367.494 1.385 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccnc1Cl 6606538 XINIHONZGRJFLA-UHFFFAOYSA-N 358.741 1.767 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 5602518 FRGLNTYPTUFQGX-UHFFFAOYSA-N 374.418 1.804 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nccn1C)C2=O 4804898 DAHLVYNYGFVBQJ-UHFFFAOYSA-N 351.432 1.044 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1 67332509 BQFIDJIXRXCWRR-HZPDHXFCSA-N 364.398 1.951 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 9422445 GFDWAMPIIZOTAP-UHFFFAOYSA-N 366.421 1.963 0 40 FDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 71972330 GVCVNFMINCMWFH-CYBMUJFWSA-N 362.517 1.489 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O[C@@H]2C[C@@H](C)OC2=O)c1C 84075051 SDFNXQWJJXEXAQ-BXUZGUMPSA-N 369.439 1.446 0 40 FDAB CC1(C)[C@@H](C(=O)NCCNC(=O)c2nc3ccccc3s2)[C@H]1C(=O)O 72400297 DLWCJBCFZZWQML-NEPJUHHUSA-N 361.423 1.499 0 40 FDAB COC(=O)[C@H](NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12)C(C)C 95472952 WBDOTPFNHUODJK-QGZVFWFLSA-N 359.426 1.834 0 40 FDAB Cn1ncc2c(N3CCN(Cc4nnsc4Cl)CC3)ncnc21 95947353 INMPQVOBSNKNHT-UHFFFAOYSA-N 350.839 1.190 0 40 FDAB Nc1nc(Cl)cc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1 95947938 TZBLFQHOERMBHN-UHFFFAOYSA-N 360.849 1.151 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2F)cc1 75242277 SFYHFXRRUOZNEM-UHFFFAOYSA-N 358.341 1.724 0 40 FDAB CC(C)OC(=O)N1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 89887753 KYFNLJORRRAALS-UHFFFAOYSA-N 353.463 1.951 0 40 FDAB CN1CCN(CCNS(=O)(=O)c2ccc(Br)s2)CC1 22933227 BANDDUBNUZKRES-UHFFFAOYSA-N 368.322 1.036 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1ccc(Cl)cc1 20800210 FCORRMMCAHCNJL-LBPRGKRZSA-N 356.831 1.322 0 40 FDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(F)ccc1Cl 548202618 KEJQZPQNKQGRHY-KWQFWETISA-N 351.783 1.637 0 40 FDAB Cc1cc(C(=O)NCCc2ccc3c(c2)OCO3)c2c(O)nn(C)c2n1 32713600 LBDPDLVTDFWKPD-UHFFFAOYSA-N 354.366 1.684 0 40 FDAB Cn1cnnc1C1CCN(C(=O)NCCc2nn(C)c3ccccc23)CC1 185487579 YKOPLCHNRHNDDT-UHFFFAOYSA-N 367.457 1.834 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 35126842 CCIGVWPDYBRTAV-NTEUORMPSA-N 370.321 1.451 0 40 FDAB Cc1cc2c(o1)c1cnn(CC(=O)NCCc3ccco3)c(=O)c1n2C 72335330 WHVMFHPRRBMQAY-UHFFFAOYSA-N 354.366 1.742 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)s1 70641046 FALGVRBJMPGDCY-UHFFFAOYSA-N 369.454 1.698 0 40 FDAB O=C1C[C@H](C(=O)NCc2cccnc2)[C@H](c2ccc3c(c2)OCCO3)O1 66088361 RAHZGDBFKJCMAQ-KSSFIOAISA-N 354.362 1.773 0 40 FDAB NCC(=O)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12 77455202 FHSFEYPPJCNXID-UHFFFAOYSA-N 365.437 1.818 0 40 FDAB COc1ccc(OC)c([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c1 31812117 ZOZZENYWVQKIGC-GFCCVEGCSA-N 355.354 1.349 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)c3nc[nH]c3C)C2)cc(N2CCOCC2)n1 72454267 GLMFEOWZGMNRRO-OAHLLOKOSA-N 370.457 1.673 0 40 FDAB COc1ccc(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1O 40151561 AZYJAJDVIPBASU-UHFFFAOYSA-N 351.384 1.370 0 40 FDAB Cc1nnc2c(N3CCN(C(=O)/C=C\c4cccs4)CC3)nccn12 225798865 XCRXPMSPHFTHAV-PLNGDYQASA-N 354.439 1.856 0 40 FDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 225635028 LHMHDOPIYYXELT-PJQZNRQZSA-N 353.758 1.950 0 40 FDAB CCCC[C@H](CC)CNC(=O)CCC(=O)NCCCN1CCOCC1 199421146 AMMWQOITTQTXGS-KRWDZBQOSA-N 355.523 1.938 0 40 FDAB COc1ccccc1CNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225881014 UCOPEAHMACJVHC-KRWDZBQOSA-N 362.451 1.944 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1 225796701 WXCVLMXRTIRGPL-UHFFFAOYSA-N 351.391 1.831 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2c(F)cccc2Cl)c1=O 90590837 WGHKFVWCPOWAHG-UHFFFAOYSA-N 366.702 1.823 0 40 FDAB CC(C)CCC(=O)N1C[C@@H]2[C@H](C1)c1nc(N(C)C)ncc1CS2(=O)=O 96251922 CNICVROANWIERK-UONOGXRCSA-N 366.487 1.202 0 40 FDAB Cc1cc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)ccn1 580153936 NKFZPJXYFAYBDU-KBPBESRZSA-N 357.414 1.475 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ccccc3n1)C2 253386420 WRTGPYYHABOQSZ-OAHLLOKOSA-N 374.462 1.901 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(CN)NC(=O)OC(C)(C)C 252514101 BFERPMGBDMFTQG-CPUCHLNUSA-N 372.462 1.948 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1cccc(C)c1 257217705 DAGPWTWRYSWREM-MJGOQNOKSA-N 359.470 1.353 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257255639 KIHUIXOIXKLHLU-LJQANCHMSA-N 358.442 1.719 0 40 FDAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(Cc3ccccc3)nc2)CCO1 257318386 VNRRPASIMUJOQA-OAQYLSRUSA-N 367.449 1.992 0 40 FDAB Cc1cccc(C[C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 257216774 CVZULHYQIUCOAD-CQSZACIVSA-N 358.442 1.502 0 40 FDAB CCn1nccc1-c1ccc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257262668 LMIITFYWHAXYHG-OAHLLOKOSA-N 363.487 1.636 0 40 FDAB CCc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](NC)[C@@](C)(O)CO2 257321468 WBVBMHNALOPUQX-YOEHRIQHSA-N 351.447 1.280 0 40 FDAB COCCn1cc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cn1 1775958193 JLASDXOFRYYYPY-LSDHHAIUSA-N 351.403 1.014 0 40 FDAB Cc1ccc(NC(=O)c2cnn(CC3CC3)c2)cc1N1C(=O)CNC1=O 632818738 VZCZYJOLHGDTRL-UHFFFAOYSA-N 353.382 1.910 0 40 FDAB CNC(=O)CN1CCN(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)CC1 646451931 NSXSXFVXGVJIRR-HNNXBMFYSA-N 370.457 1.388 0 40 FDAB COc1ccc(Oc2ccc(NC(=O)[C@]3(N)CCN(C(C)=O)C3)cn2)cc1 649341095 LQKBWBZXZSYXKN-IBGZPJMESA-N 370.409 1.771 0 40 FDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H]([C@H]2C[C@@H](N)CCO2)C1 652165981 GFYLVKFYMQRQLX-DRRXZNNHSA-N 355.479 1.108 0 40 FDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1ccsc1)C2 585102705 BDBNDXIYPGEYIV-AWEZNQCLSA-N 365.480 1.606 0 40 FDAB COc1cccc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)c1 585285082 NWIPILFCOFTMDJ-PZJWPPBQSA-N 370.449 1.423 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(F)(F)F)c2)C1 685943549 YFSZUJJQBYTDJY-IQJOONFLSA-N 357.336 1.447 0 40 FDAB Cc1ccc(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc1C 685942337 IZFVIVHFLVQUHU-ZMSDIMECSA-N 358.442 1.482 0 40 FDAB O=C(NCC(=O)N1CCCN(Cc2ccccc2)CC1)NCc1ccco1 56291415 OBFJJYNVEUGGPI-UHFFFAOYSA-N 370.453 1.813 0 40 FDAB Cc1sc(=O)n(CC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1C 56019278 LORGSJMHKRMUDS-OAHLLOKOSA-N 359.451 1.616 0 40 FDAB Cc1ccc([C@H](CNC(=O)N2CCOC[C@H]2C2CC2)N2CCOCC2)o1 89888716 MCZKNTSOTDQXRG-IRXDYDNUSA-N 363.458 1.782 0 40 FDAB CCOc1ncc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cn1 585433123 GCGQADGLIGJXQU-UHFFFAOYSA-N 374.422 1.511 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)C[C@H](N(C)C(C)=O)CCO3)CC1 1615155077 NWFSEFZATDDBQU-GOSISDBHSA-N 351.491 1.489 0 40 FDAB CCCCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148073 IVJGQRLFSHVRAN-UHFFFAOYSA-N 366.425 1.458 0 40 FDAB CCN1CCC[C@H]1CNC(=O)Cn1nc(C)n2c(cc3occc32)c1=O 12115449 WZJJLQLTEKMBQF-ZDUSSCGKSA-N 357.414 1.151 0 40 FDAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)Cn2cccn2)C1 13267571 FOKPKNXGENZHIJ-HNNXBMFYSA-N 363.421 1.936 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cccs3)o2)C1 13790437 LUWIENUYNKYLSK-VIFPVBQESA-N 356.429 1.408 0 40 FDAB COc1cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1 18172537 NGPSPQACSOKHJW-UHFFFAOYSA-N 351.384 1.995 0 40 FDAB O=C(CCCN1CCCCCC1)N1CCC[C@H]1c1nnc2n1CCNCC2 19710631 LGFIZPAGFWFAFY-KRWDZBQOSA-N 374.533 1.744 0 40 FDAB CN(C)S(=O)(=O)NCC[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 19748991 VLMZNOFYMKHXCT-AWEZNQCLSA-N 365.503 1.704 0 40 FDAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3 19962256 OBZPYRYKKVKTFG-NSHDSACASA-N 369.377 1.627 0 40 FDAB CC(C)[C@@H](C(=O)N(C)Cc1cccc(N(C)C)c1)N1CCCS1(=O)=O 153215780 NYNWUFVBCYTHJZ-KRWDZBQOSA-N 367.515 1.771 0 40 FDAB CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13[C@H]2O 257404069 DFBIRQPKNDILPW-NQNJUCTKSA-N 360.406 1.103 0 40 FDAB biogenic O=C(NCc1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 17124920 ZVJGRFHWGDNCIF-UHFFFAOYSA-N 355.398 1.280 0 40 FDAB COc1ccc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056224080 QVWBUFQVIWBMDO-BEFAXECRSA-N 352.394 1.406 0 40 FDAB O=C1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CN1Cc1ccncc1 1565553360 VLPPOXKIXXATOX-DZFIZOCASA-N 369.465 1.705 0 40 FDAB CSc1nc(C)cc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086887011 OZGGIWJKPYFVDV-GFCCVEGCSA-N 356.517 1.900 0 40 FDAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 9051936 IPPUTOHDQOYDIL-UHFFFAOYSA-N 374.871 1.808 0 40 FDAB in-vivo CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccnc1OC1CCCC1 40089418 JGWOREZTXKQOKN-HNNXBMFYSA-N 367.471 1.443 0 40 FDAB O=C(Cn1ccc2c(Br)cccc21)N[C@@H]1CCS(=O)(=O)C1 40286779 VOGMSPSMRMSABH-SNVBAGLBSA-N 371.256 1.707 0 40 FDAB CCN1CCN(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 20405428 JAVMJKBZSNRKMO-UHFFFAOYSA-N 350.438 1.238 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NCC(F)(F)F 2645998 ZBIGMLVWJYJQPI-GFCCVEGCSA-N 368.315 1.309 0 40 FDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1941413 SJDMPQKZIIRGJI-UHFFFAOYSA-N 368.345 1.473 0 40 FDAB Cc1nc(NC(=O)c2ccn(C)c(=O)c2)ccc1I 79022990 YWOQGKHHHSGEBG-UHFFFAOYSA-N 369.162 1.946 0 40 FDAB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)[C@@H]2CCOC(C)(C)C2)c1 79476394 AMVNWKNMIORFNW-GFCCVEGCSA-N 360.414 1.845 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)c1ccc(Cl)c(Cl)c1 629325 CVIBOCXFXWCWES-UHFFFAOYSA-N 353.165 1.613 0 40 FDAB Cc1cc(C)nc(SCC(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 7974342 BSWHIKTWVIHZMJ-UHFFFAOYSA-N 372.406 1.781 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCCCC1 22760023 RGPYTCZZMDTWBS-MRXNPFEDSA-N 351.472 1.280 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OC)cc1 101509235 KWCBKJHLPZHEKH-YRBFXIGRSA-N 350.367 1.081 0 40 FDAB CCc1nn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)nc2s1 12599324 TWKOIBMGUKQFQZ-INIZCTEOSA-N 373.394 1.274 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](C)CN1CCC[C@H](C)C1 97166166 WGDWOOCHMHXBGB-UONOGXRCSA-N 356.536 1.944 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCN1C(=O)NC(C)(C)C1=O 24870010 WROPPXGCPMAGRY-VXGBXAGGSA-N 353.419 1.040 0 40 FDAB Cc1nn(-c2ccc(Br)cc2)nc1C(=O)N1CCN(C)CC1 59843332 NCGCFPKPJKTIPU-UHFFFAOYSA-N 364.247 1.726 0 40 FDAB CC[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1OCC(=O)N(C)C 55597932 HDNAAFOANXQZCR-HNNXBMFYSA-N 357.410 1.723 0 40 FDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(=O)NC1CCCC1 12526514 UKTHXFRICHCOST-WDEREUQCSA-N 360.414 1.975 0 40 FDAB CC(C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 58161514 ZHSMHOLYGDIGJQ-HNNXBMFYSA-N 361.442 1.391 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 3327038 QTVPGGGXZIXIFY-XOBRGWDASA-N 355.438 1.867 0 40 FDAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2cnccn2)CC1 27630592 HDIGWDYBLYWMKI-MRXNPFEDSA-N 351.454 1.967 0 40 FDAB C[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)csc2C1 102207261 RERZAKSBNXNJPN-IYEZJWFFSA-N 360.435 1.680 0 40 FDAB COc1ccc(N2C(Nc3nc(C)cc(C)n3)=NC(=O)C[C@H]2C(=O)O)cc1 2398096 MHZKLVGYMVEYBH-AWEZNQCLSA-N 369.381 1.760 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1C 28688001 GZGGMWYNLNBOCK-CYBMUJFWSA-N 360.458 1.259 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cc(F)cc(F)c1 12936084 WJKCQSNCVCINCN-UHFFFAOYSA-N 371.343 1.975 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ncccn3)CC1)C2=O 13072180 ASQOOLBCTVQYOR-KDOFPFPSSA-N 358.446 1.057 0 40 FDAB COCCOCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1C)C(=O)N2 13691827 JRHBGFXAJONZKN-ZDUSSCGKSA-N 359.386 1.272 0 40 FDAB COc1ccc(CCNC(=O)Cc2nc3nc(C)cc(O)n3n2)cc1OC 13626339 CNFVGHJWIDTQLA-UHFFFAOYSA-N 371.397 1.057 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(CC)c3nc(C)ccc3c2=O)CC1 6085321 RDMJNSIVOACPBF-UHFFFAOYSA-N 372.425 1.639 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc12 5420467 OYQVPJUARKDEDU-UHFFFAOYSA-N 364.405 1.919 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2cn3nc(C)c(C)nc3n2)cc1 6665042 ANEVRIVASOSWPH-UHFFFAOYSA-N 361.427 1.271 0 40 FDAB Cc1ccc([C@@H](OC[C@H](O)CN(CCO)CCO)c2ccccc2)cc1 6934328 PESGZSYNUJKTHH-RTWAWAEBSA-N 359.466 1.749 0 40 FDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1c1nccs1 67199656 BMODUEWTOYIBDD-CVEARBPZSA-N 372.494 1.928 0 40 FDAB CC(C)OCCCNC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9170487 ITAXTSJOXNMWAA-UHFFFAOYSA-N 362.430 1.476 0 40 FDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)C3(F)CCOCC3)C1)COC2 306143092 XTFAPVALDFLSHS-KRWDZBQOSA-N 364.421 1.062 0 40 FDAB Cc1cc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nn1C 96005145 RJPDVNBTFBRKRC-AWEZNQCLSA-N 369.491 1.587 0 40 FDAB COCCCNC(=O)C1CCN(C(=O)c2ccc3c(C=O)n[nH]c3c2)CC1 95451679 JJSFBJXGILRGRT-UHFFFAOYSA-N 372.425 1.380 0 40 FDAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 95940136 DBPPPOCMQMNVLN-GOSISDBHSA-N 365.389 1.639 0 40 FDAB CC(C)COC(=O)N1CCCN(CC(=O)Nc2nnc(C(C)C)o2)CC1 89840255 QPUSSMXKLPBLBT-UHFFFAOYSA-N 367.450 1.932 0 40 FDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20008423 TZCBJKUXMQHWAG-MRXNPFEDSA-N 362.451 1.639 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@@H]3S2(=O)=O)cs1 306130819 JQCDDEJOHJKKFI-HOCLYGCPSA-N 364.496 1.493 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 3831306 NONJJLVGHLVQQM-AYIJCJCZSA-N 364.423 1.086 0 40 FDAB biogenic CCN(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(OC)cc1 39985395 GXHZRJRZDWHQSH-UHFFFAOYSA-N 354.472 1.964 0 40 FDAB O=c1[nH]c(O)ncc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 33327115 CUIYNQBIYJIQOA-UHFFFAOYSA-N 350.183 1.261 0 40 FDAB COC(=O)c1ccccc1NC(=O)COc1cc(C(=O)O)cc(C(=O)O)c1 217728732 RYHLTUQXVVYTSV-UHFFFAOYSA-N 373.317 1.887 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccc(F)cc1 77264411 QUMKSSIGNRNDCJ-KURKYZTESA-N 362.376 1.613 0 40 FDAB biogenic,in-vitro O=C(NCCN1CCOCC1)c1ccccc1I 33450970 ZGRFYIXRNGTBDL-UHFFFAOYSA-N 360.195 1.353 0 40 FDAB COc1cccc(Cn2c(=O)c3c(nc4n3[C@H](C)C(C)=NN4)n(C)c2=O)c1 72236030 ZXSJHZQFLIXFMA-LLVKDONJSA-N 368.397 1.316 0 40 FDAB Cc1ccc(CCNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)o1 223243089 ZHBQIYNIFWXSEK-ROUUACIJSA-N 360.385 1.984 0 40 FDAB Cc1ccc(N2CCOC[C@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2)nn1 96229190 WQJQXVBVPFNCII-GOSISDBHSA-N 356.430 1.267 0 40 FDAB c1csc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)n1 96052356 XLCPJEUITFTDJD-NVXWUHKLSA-N 353.488 1.225 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccn2)Oc2ccccc21 96111744 ZLAYCTRMBNHZHL-YOEHRIQHSA-N 367.405 1.737 0 40 FDAB biogenic,in-vitro Cc1ccc(CN2Cc3cncn3[C@@H](CCNS(C)(=O)=O)C2)s1 248088979 KZGGZSONGPCHIO-ZDUSSCGKSA-N 354.501 1.749 0 40 FDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1)C1CC1 247306544 GXAOUUYQPLHADR-GFCCVEGCSA-N 357.501 1.206 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(c1ncc(F)cn1)C2 248154367 VDDIXRLVAQKQKN-CYBMUJFWSA-N 359.405 1.370 0 40 FDAB COc1ncccc1CN1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 248046226 WNXUUQJSOUMERX-KRWDZBQOSA-N 358.442 1.553 0 40 FDAB O=C(NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1)C1CC1 247489537 LWTOZCFNZOOQDP-HNNXBMFYSA-N 368.437 1.770 0 40 FDAB C[C@@]1(O)CN(C(=O)OCc2ccccc2)CC[C@H]1n1ccc(O)nc1=O 257344291 ZWMIPGYQLBTOEE-RDTXWAMCSA-N 359.382 1.284 0 40 FDAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(Cc3ccsc3)C[C@@H]2C[C@@]1(C)O 257286280 PLABNXFFJCDFNE-BSDSXHPESA-N 352.500 1.957 0 40 FDAB CCN(Cc1ccc(C(=O)O)cc1)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257276310 NTDUQWOWEDUOHQ-GOSISDBHSA-N 357.414 1.555 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2ccc(C(=O)O)cc2)C1 257270509 MUNHUMCAERUJAH-CQSZACIVSA-N 361.423 1.981 0 40 FDAB O=C(NCCN1C(=O)CNC1=O)NCC1(N2CCCCC2)CCCCC1 363534653 NBKIGADJAVGDKI-UHFFFAOYSA-N 365.478 1.026 0 40 FDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1(F)F 289547993 CWIFUZPGTOQJOC-CYBMUJFWSA-N 371.365 1.603 0 40 FDAB Cc1nc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccc1Br 624422639 AVBRHPCRSHJKDR-CHWSQXEVSA-N 353.220 1.515 0 40 FDAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635014998 BAKJJDQDUGDBSW-GJZGRUSLSA-N 351.834 1.347 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(CCOc2ccccc2Br)C1 643806965 MQCIHULZMCKQIT-HNNXBMFYSA-N 357.248 1.530 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 648145515 BRJJWJAZEFEDGE-CABCVRRESA-N 351.472 1.053 0 40 FDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 585272786 QTNNKFWDUVAVNF-HXUWFJFHSA-N 357.454 1.930 0 40 FDAB COc1ncc(C(=O)N2CCC[C@](O)(COc3ccc(C)cc3)C2)cn1 585276562 MSWBSIFZTNOIBD-LJQANCHMSA-N 357.410 1.840 0 40 FDAB CN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)C1CC(O)C1)CC2 585110592 AYPBSDUITAHGNZ-UHFFFAOYSA-N 358.442 1.264 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)c3ccsc3)C[C@H]12 585109205 ZXWQLJOENFUGCN-UONOGXRCSA-N 356.407 1.286 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCNC(=O)CC3)CCC2)cc1 65901722 ILFOUHVFFBGDQE-UHFFFAOYSA-N 350.440 1.040 0 40 FDAB CCn1ccc2ccc(NC(=O)NC[C@](C)(O)CN3CCOCC3)cc21 72303935 RAPNTFFHKKFIDV-IBGZPJMESA-N 360.458 1.866 0 40 FDAB CCS(=O)(=O)NCCc1cc(OC)c(OC)cc1Br 48903851 IMDSDWGLQODWHF-UHFFFAOYSA-N 352.250 1.948 0 40 FDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccoc2)cc1 57265558 WUQHQSZIYLIZQB-UHFFFAOYSA-N 373.452 1.572 0 40 FDAB CC(=O)NCc1ccc(-c2nc(CN3C(=O)NC(=O)C3(C)C)no2)cc1 97377674 WUXNWEBLUJWABB-UHFFFAOYSA-N 357.370 1.203 0 40 FDAB CN1[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)C[C@@H]2OCCS1(=O)=O 1534639785 CCBLOHVVOVUICN-OLZOCXBDSA-N 359.835 1.217 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccncc1 5579656 APZMKJUACXYMQD-UHFFFAOYSA-N 355.379 1.925 0 40 FDAB CCOC(=O)C[C@H](C(=O)OCC)[S@@](=O)CP(=O)(OCC)OCC 5759688 GYWJUTGZJPKZEF-QVQLBTGDSA-N 372.376 1.844 0 40 FDAB Cc1c(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)cnn1C 12086075 NWMQADQRZLJKCJ-PSGMQZRDSA-N 365.437 1.762 0 40 FDAB Cc1nccn1CCCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 19288138 QMKQKJVGFNGYJO-TWOQFEAHSA-N 366.421 1.785 0 40 FDAB CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19523579 NHSGKNQKPKXFEJ-CABCVRRESA-N 368.485 1.533 0 40 FDAB Cc1nonc1CN(C)C(=O)Cn1c(C)nc2sc(C)c(C)c2c1=O 19561248 STIDPZUAJCTYBQ-UHFFFAOYSA-N 361.427 1.733 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCC(C)(C)c3ccccc3F)cnc21 19716131 PJKURXHHGUIXOM-UHFFFAOYSA-N 357.389 1.363 0 40 FDAB O=C(Cc1cccs1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206902722 OEFKAXCAOMEEHK-UHFFFAOYSA-N 355.427 1.010 0 40 FDAB Nc1cccc2c1C(=O)N(C(=O)CCN1C(=O)c3ccccc3C1=O)C2=O 6045715 BLYRAUVSMMADMS-UHFFFAOYSA-N 363.329 1.078 0 40 FDAB Cc1nc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c2ccncc2n1 1889213100 VVAAUGCLIVJVJV-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB CCn1cc(C(=O)N[C@H](Cn2nccn2)C(C)C)c(=O)c2ccc(C)nc21 238814902 BFFFDSLRVXATKF-MRXNPFEDSA-N 368.441 1.771 0 40 FDAB CSc1nc(C)cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087130531 ZRIRPYUALRPCJL-LBPRGKRZSA-N 372.441 1.970 0 40 FDAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)/C=C/c1cccs1)CC2 1565555814 PXGYOSUHCUHEIW-IYNGYCSASA-N 374.466 1.465 0 40 FDAB Cc1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C 10216499 HCDALKIGKQKQSL-UHFFFAOYSA-N 355.419 1.916 0 40 FDAB O=C1NC2(CCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1 2335802 QSVSWGCFUKRATK-UHFFFAOYSA-N 352.412 1.650 0 40 FDAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)nc12 31634759 NQLJAFKMWOHNCR-NRFANRHFSA-N 374.400 1.896 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 32795510 JYWJIJUHJUVKGT-MRXNPFEDSA-N 355.438 1.252 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OC)CC2=O)cc1 32867738 OSOVASKTEGZKAO-GFCCVEGCSA-N 354.428 1.243 0 40 FDAB C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3ccco3)cn2)C[C@@H](C)O1 32930445 SCLLXOGGHMXWGC-OKILXGFUSA-N 372.425 1.334 0 40 FDAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NC(C)(C)C 18755676 WJHPOHOUMKMLNK-LBPRGKRZSA-N 350.415 1.978 0 40 FDAB COC(=O)CNC(=O)CCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 78641803 LHXWKCJMJOFLLJ-CYBMUJFWSA-N 369.412 1.323 0 40 FDAB CC(C)CNC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493134 ZYIZONGGBUMSOQ-UHFFFAOYSA-N 368.850 1.890 0 40 FDAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC)CO[C@H]23)cc(OC)c1 3841710 CODPPXPKIHVQOU-GBJTYRQASA-N 354.428 1.171 0 40 FDAB biogenic,in-vitro CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2)nc1N 872577 FVAPRORHGFRWSI-UHFFFAOYSA-N 362.411 1.975 0 40 FDAB Cc1nc2cc([C@H]3CCCN3C(=O)CCn3cncn3)nn2c(O)c1C 100723872 QLFLVRWVRIKDHI-CQSZACIVSA-N 355.402 1.397 0 40 FDAB CC(C)[C@@H](N)C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ncccc31)C2 100213555 OYWHLRVZZBUXQQ-IIDMSEBBSA-N 356.470 1.904 0 40 FDAB Cn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1 54819156 MGOFFMVCFJJHMO-UHFFFAOYSA-N 362.455 1.525 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COc1ccc(CNC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cc1 9060162 YKYSDWFGMYOZRE-UHFFFAOYSA-N 366.425 1.894 0 40 FDAB C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)n1cnc2c1c(=O)n(C)c(=O)n2C 9367227 BOASJMYROCHNFX-ABROSTTOSA-N 370.453 1.780 0 40 FDAB Cc1c(C(=O)N2CCCC[C@H]2C(N)=O)nnn1-c1ccc(OC(C)C)cc1 66927358 ZCNISKWPQPDFOA-INIZCTEOSA-N 371.441 1.843 0 40 FDAB Nc1nccnc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 67147833 AZYDQSDWHVFKIX-UHFFFAOYSA-N 352.442 1.843 0 40 FDAB CC(C)NC(=O)CNC(=O)CSc1nccn1-c1cccc(F)c1 7121344 UAMFZRRHKWCCQJ-UHFFFAOYSA-N 350.419 1.744 0 40 FDAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024904 UQEJBFKDYKPUQF-CJXDPKRBSA-N 355.438 1.862 0 40 FDAB NC(=O)Cc1csc(NC(=O)c2ccccc2OC[C@H]2CCCO2)n1 69368179 QZTQTDNQQPSPBC-GFCCVEGCSA-N 361.423 1.981 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1COc2ccccc2O1 18100218 HCUVDHIMABIFAI-INIZCTEOSA-N 351.362 1.722 0 40 FDAB O=C(CCn1cnc2ccsc2c1=O)NC(=O)NCc1ccccc1 8735485 SCZBWPRYAGSUCO-UHFFFAOYSA-N 356.407 1.874 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 8777235 VJHXXRFSDUOATI-HNNXBMFYSA-N 365.389 1.588 0 40 FDAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(CCC(N)=O)n1C 9836417 JNKODLSVBKTQCU-LBPRGKRZSA-N 373.482 1.693 0 40 FDAB Cn1cnc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2c1=O 95476977 XUDJXQSRXHOYLB-UHFFFAOYSA-N 361.361 1.282 0 40 FDAB COCc1noc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 95464567 CWPLDOMHSCPMOW-CHWSQXEVSA-N 352.435 1.064 0 40 FDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)C(C)C 75093325 UFWRAWPWEBHPCS-GOSISDBHSA-N 357.454 1.583 0 40 FDAB C[C@H](CNC(=O)c1cccc(I)c1)N1CCOCC1 32817378 HSLPYHUBLJZMIT-LLVKDONJSA-N 374.222 1.742 0 40 FDAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 33777438 VIURTAWXEFPNNE-LBPRGKRZSA-N 358.460 1.677 0 40 FDAB O=C(Nc1cc2ccccc2oc1=O)C1CN(C(=O)c2cnccn2)C1 70841089 PNAPXPFOPWCRPE-UHFFFAOYSA-N 350.334 1.294 0 40 FDAB CC(C)CN1CCO[C@@H](CNC(=O)N2CC(=O)Nc3ccccc3C2)C1 563368794 AGWVZTSGKLDNRX-INIZCTEOSA-N 360.458 1.507 0 40 FDAB COC(=O)CNC(=O)CNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 569000273 KZHLIWHVDVUFKZ-UHFFFAOYSA-N 357.288 1.206 0 40 FDAB CC(C)(CO)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391363 KSFGOJRUIVVEAB-UHFFFAOYSA-N 353.357 1.973 0 40 FDAB CCS(=O)(=O)c1ccccc1N1CC[C@H](n2cc(C(=O)O)nn2)C1 572112993 GGGYHFSMRUILIL-NSHDSACASA-N 350.400 1.221 0 40 FDAB Cc1csc(CNC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)c1 577354472 UJUPMYHSDYIXGK-ZDUSSCGKSA-N 361.471 1.618 0 40 FDAB CN(C)C1CCN(C(=O)C2=NO[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 96225667 RIVXYKUWKQUUNL-NRFANRHFSA-N 370.497 1.960 0 40 FDAB OCCN1CCN(Nc2nc(Nc3ccccc3)c3nccnc3n2)CC1 96346868 KRYYNVAEWNSWFL-UHFFFAOYSA-N 366.429 1.100 0 40 FDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1 96069110 TYAVNVRCUBDYJD-CVEARBPZSA-N 350.390 1.145 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CCNC3=O)CC2=O)cc1 24077530 QOQTVJOHYDCGOQ-OCCSQVGLSA-N 373.409 1.085 0 40 FDAB CC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(O)n3n2)C1 257249831 JJYCVQFKHBZAGY-CQSZACIVSA-N 373.457 1.536 0 40 FDAB CC(=O)N[C@@]12CN(C(=O)C(C)C)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257314846 UYTCCRRWKCIUPP-SFHLNBCPSA-N 371.481 1.969 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4cccs4)C3)ccnc12 257326073 WVRQLYNVECBPCP-LLVKDONJSA-N 355.423 1.780 0 40 FDAB Cc1nc(S(=O)(=O)N2CCN(c3ncccc3C(=O)O)CC2)cs1 647454007 AFIKYHKHDYQSLY-UHFFFAOYSA-N 368.440 1.056 0 40 FDAB C[C@H]1c2c(F)cccc2CCN1C(=O)Cn1cnc2c(cnn2C)c1=O 606319356 HCRRWHORGOPVAN-NSHDSACASA-N 355.373 1.415 0 40 FDAB Cc1nccc([C@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 584907096 OIJUVWOYAYSCNT-HNNXBMFYSA-N 357.458 1.829 0 40 FDAB CCOCC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096150 VMHLIEFBSWAKRC-HNNXBMFYSA-N 362.455 1.223 0 40 FDAB COc1ccccc1OCC(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093386 SZZUQIHJSDJZAM-MRXNPFEDSA-N 354.353 1.448 0 40 FDAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](N2C(=O)CNC2=O)C1 585331444 LRRIBZRMILXRRR-ZDUSSCGKSA-N 369.343 1.791 0 40 FDAB COc1coc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(c2ccnn2C)C3)c1OC 12224512 SMKONBROFIDPHJ-HWRGOXINSA-N 361.398 1.685 0 40 FDAB CN(C)CCN(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 12325571 DAJHPMVNDWGOFE-SFHVURJKSA-N 364.511 1.295 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 13608654 WZEUEGHBLJCONV-NEPJUHHUSA-N 362.879 1.954 0 40 FDAB CC(=O)N1CCC[C@H](c2nnc3n2CCN(C(=O)C2CCCCC2)C3)C1 19711005 AFFCHUGNBYSXFE-INIZCTEOSA-N 359.474 1.927 0 40 FDAB O=C1NC(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)S1 2355864 DFLUHUHYJXTGCY-OQLLNIDSSA-N 371.418 1.824 0 40 FDAB CCOC(=O)C1CCN(C(=S)Nc2ccc3nc[nH]c(=O)c3c2)CC1 5488942 KXMRYRSSFMWETA-UHFFFAOYSA-N 360.439 1.895 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)Cc3ccccc3C2=O)cc1 9640906 DTIWJCCGVOHWIX-UHFFFAOYSA-N 352.390 1.927 0 40 FDAB CN([C@H]1CCN(c2nccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 1888844306 SUTOWOLXPXIXLQ-VIFPVBQESA-N 350.366 1.498 0 40 FDAB O=C(COCc1ccccc1)NCC1(N2CCSCC2)CCOCC1 1888850268 GGHUCYIGXOPYFG-UHFFFAOYSA-N 364.511 1.917 0 40 FDAB COc1ccccc1NC(=O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1888921851 CBBGJOLSLRDLRK-CABCVRRESA-N 353.422 1.915 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2S(=O)(=O)c1cn(C)cn1 1848353229 KUMDKHKRFLRWTG-QSJFSLAZSA-N 366.487 1.363 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(CC3(O)CCCC3)CC2)n1 2087123178 FDLVRFTUIUROQH-UHFFFAOYSA-N 361.490 1.049 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@H]21 1565545293 CRQLOJAKGGCKMB-QZTJIDSGSA-N 364.465 1.017 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)nc2c(C)cccn2c1=O 4009311 BAEURGYCCCOMSX-LLVKDONJSA-N 362.773 1.457 0 40 FDAB COCCCN[C@@H](CC(=O)Nc1ccccc1Br)C(=O)O 4939721 GNANTKKRTXZWLW-LBPRGKRZSA-N 359.220 1.857 0 40 FDAB Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)c2cc[nH]c2)C3)cn1 2055772957 CMTNGXDYEQGTQT-VQIMIIECSA-N 369.425 1.051 0 40 FDAB CCOC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 23141852 DUVBHEVGMJEJQX-UHFFFAOYSA-N 373.504 1.433 0 40 FDAB OCCN1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 22735958 YDRXTLZGHNHNHD-UHFFFAOYSA-N 351.414 1.278 0 40 FDAB C[C@]1(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CCS(=O)(=O)C1 40012839 IODWAHTYTILMKP-INIZCTEOSA-N 373.858 1.737 0 40 FDAB COc1ccccc1-c1n[nH]c(NC(=O)CCNC(=O)c2ccco2)n1 40088570 DVZCARSDIPXIMB-UHFFFAOYSA-N 355.354 1.832 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 30804975 CWNVGPKTQQRGFM-UHFFFAOYSA-N 353.382 1.654 0 40 FDAB O=C(NCc1cccnc1-n1ccnc1)[C@H]1CC(=O)N(Cc2ccco2)C1 31285023 GMJOGRLLDMNFOS-HNNXBMFYSA-N 365.393 1.525 0 40 FDAB Cn1ccnc1SCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 32740519 UMZDIQLDTAZRJU-UHFFFAOYSA-N 366.468 1.375 0 40 FDAB O=C1[C@@H]2CCCCN2C(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 52584235 GYYGQJMROIRYRA-KRWDZBQOSA-N 360.433 1.764 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 52702255 YRPAFRASWICUKH-KBPBESRZSA-N 352.479 1.191 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCN2C1=O 18409716 OIQIYARHTGQNFZ-SMDDNHRTSA-N 356.382 1.177 0 40 FDAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCCC1 804921 LZHHSHWFMZNEBX-UHFFFAOYSA-N 352.456 1.909 0 40 FDAB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 2788002 VNGRYNWRXUECAN-GFCCVEGCSA-N 351.366 1.946 0 40 FDAB O=C(CN1CCN(c2ncc(Cl)cc2Cl)CC1)N1CCNC1=O 53089574 YOJXUSDYEKOVNQ-UHFFFAOYSA-N 358.229 1.062 0 40 FDAB O=C(Oc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 6680865 YMBZWLJVKBLXHZ-UHFFFAOYSA-N 354.409 1.383 0 40 FDAB C[C@@H]1C[C@@H](N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)O1 53944435 VGVYIHJZSOWJDD-QXIXBFCJSA-N 350.440 1.309 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(Cc2ccco2)C1 12545881 UYRJCTDMWYQKTF-HNNXBMFYSA-N 365.393 1.525 0 40 FDAB O=c1ccc2cc(S(=O)(=O)Oc3cccc(-n4cnnn4)c3)ccc2o1 25672210 FJLCSNRUBUGCLZ-UHFFFAOYSA-N 370.346 1.536 0 40 FDAB CN1C(=O)c2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2C1=O 26366765 SSRPHTHWZAAUTI-UHFFFAOYSA-N 372.402 1.709 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c12 44723429 TWUZJMBPRRJVGH-LLVKDONJSA-N 362.455 1.319 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)/C=C/c2c(F)cccc2F)CC1 58169274 LQMOGUWZYXTIDD-BQYQJAHWSA-N 351.397 1.648 0 40 FDAB COc1ccc(CCNC(=O)NCc2cccc(C(N)=O)c2)cc1OC 29321209 LBYAULFHIXUICQ-UHFFFAOYSA-N 357.410 1.845 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 48325310 RZFWJQNSLBHWCH-CQSZACIVSA-N 350.415 1.983 0 40 FDAB CC[C@H]1CCCCN1C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 29485832 LWKAXQIITLZAID-ZDUSSCGKSA-N 350.415 1.973 0 40 FDAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)N4CCOCC4)CC3=O)c2c1 12866453 GQZOBVLIXSHCNW-INIZCTEOSA-N 355.438 1.726 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cn(C)cn1 69094873 ZEVMBUGIKOTNCC-UHFFFAOYSA-N 350.444 1.077 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCC(C)CC2)c1 28070165 VDEXNXVTDLVOSO-UHFFFAOYSA-N 367.515 1.755 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)Cn3cnc4c(cnn4C)c3=O)c2C)no1 12926101 RLRNCVSVHHJWOQ-UHFFFAOYSA-N 366.381 1.717 0 40 FDAB Cc1ccc(N2C(SCC(=O)N(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8993481 BXCWPYQCTBCPQQ-KGLIPLIRSA-N 367.496 1.158 0 40 FDAB Cc1csc(N2CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 64636378 PMOYSRIERXWUDP-CYBMUJFWSA-N 367.519 1.976 0 40 FDAB C[C@H](O)[C@H]1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 96003346 VTQJIWSSCFKIHY-QVRYCZTOSA-N 352.456 1.196 0 40 FDAB O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)NCc2cccnc2)C1 96004949 BPXFXKKOUKUYHJ-UHFFFAOYSA-N 365.842 1.679 0 40 FDAB C[C@H](O)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 96009063 KGUPWCVDXBVPQQ-GJZGRUSLSA-N 368.499 1.679 0 40 FDAB CCN(C(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 6972416 JHPWZAYLNFXDEB-GFCCVEGCSA-N 361.446 1.176 0 40 FDAB COc1ccccc1N1C(=S)N(CC(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 9304758 DOFHOVNSJGWSEY-ZIAGYGMSSA-N 354.497 1.924 0 40 FDAB CCCNC(=O)COc1ccc(CCO)cc1-n1nc2ccccc2n1 8223937 DRWGKHADXSHUFV-UHFFFAOYSA-N 354.410 1.860 0 40 FDAB O=C(O)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 98063893 NYSPQRRENZKGJJ-QIIPPGSGSA-N 367.405 1.803 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)ccc2c1=O 95992900 HBLGUSROTYRKMF-GOEBONIOSA-N 373.453 1.579 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(CN2C(=O)CCC2=O)cc1 89787608 JFXBLZHGKBYARA-UHFFFAOYSA-N 358.394 1.853 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20451586 NIZFPSWUVLPWSV-ZDUSSCGKSA-N 368.459 1.102 0 40 FDAB CN(C)S(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 28975291 QQJLNKMCMBRPAZ-UHFFFAOYSA-N 367.393 1.509 0 40 FDAB CN(C)c1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408590093 GAKSKPHZMZIKAM-XNTDXEJSSA-N 354.366 1.521 0 40 FDAB CN1CCO[C@H]2CCN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@H]21 516850181 RHJKCNQXKIIQHO-CVEARBPZSA-N 371.840 1.972 0 40 FDAB CCCN1CCN(C(=O)CCN2CCCS2(=O)=O)c2cc(F)ccc21 189968308 AONHIEWEFIANBQ-UHFFFAOYSA-N 369.462 1.814 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 72054713 TWZZOJMOCIHPBG-SECBINFHSA-N 357.375 1.479 0 40 FDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCOCC1)cn2CCC(=O)O 36359383 WISUTMVDSTWGNS-KRWDZBQOSA-N 362.382 1.583 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 530053028 ZEYLGLNALKDBAX-KGLIPLIRSA-N 360.439 1.367 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2[C@@H](C)C[C@H]2C)CC1 527472275 WZBLYIOOYSWFCH-PHIMTYICSA-N 354.476 1.437 0 40 FDAB Cc1noc(C)c1CN1C[C@H](n2ccnn2)[C@H](NC(=O)C=C2CCC2)C1 1069909361 TWHLWKOMNVHPLW-SJORKVTESA-N 356.430 1.535 0 40 FDAB COc1ccc(CC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224308854 BRBOOZMYKYMOGB-UHFFFAOYSA-N 355.442 1.443 0 40 FDAB COc1cccc([C@@H](CC(=O)O)NC(=S)Nc2cc(OC)ncn2)c1 225219960 XBPCHVVWGWEIJT-GFCCVEGCSA-N 362.411 1.996 0 40 FDAB CN(C)C(=O)CN1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96080386 JTYJXLNCRIIJRY-HXUWFJFHSA-N 352.438 1.706 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)CC(F)(F)F)CC2 96254025 MWPSIZWAANHFQM-UHFFFAOYSA-N 373.379 1.216 0 40 FDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)no1 96206299 HHVIJMOQCUIGSN-APWZRJJASA-N 356.426 1.533 0 40 FDAB CC(C)(C)C(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96100226 KWRLEWNFEBGLBD-LJQANCHMSA-N 360.458 1.360 0 40 FDAB Cc1ccn(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c(=O)c1 583619598 CIOQCWNPPDUWQL-HNAYVOBHSA-N 357.458 1.090 0 40 FDAB O=C(O)[C@@H](O)[C@H](CC1CCCCC1)NS(=O)(=O)c1cncc(F)c1 584244861 CJPCGTMUYRKRQB-KBPBESRZSA-N 360.407 1.284 0 40 FDAB COc1cccc(CC(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)c1 96216255 UQNVMMXADYPPST-USXIJHARSA-N 357.410 1.788 0 40 FDAB COc1ccncc1CNC(=O)c1ccc(N2CCN(C)CC2)c(F)c1 585085967 RAPUXXNVNPTDOP-UHFFFAOYSA-N 358.417 1.911 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)ccc1F 253472066 INTQZRGBFUYGFA-OAHLLOKOSA-N 367.398 1.917 0 40 FDAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)[C@@H]4CCCCN4)CCO3)n2)[nH]n1 257206517 BDVSWBWCOXXSHL-HOTGVXAUSA-N 370.457 1.899 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 252516374 SGWAMMSXIIRHQT-XJKCOSOUSA-N 358.435 1.558 0 40 FDAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)ncn3C)CC[C@@H]1O 257207322 BHFOIKUACUVCDG-YOEHRIQHSA-N 358.442 1.311 0 40 FDAB COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257208303 BLOBRWSYTGRGLI-BFYDXBDKSA-N 352.406 1.178 0 40 FDAB c1cc(CC[C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)ncn1 257258330 KTJIBRDRXPWHHW-GOSISDBHSA-N 354.458 1.700 0 40 FDAB COCc1nsc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 267386444 MLRACVVXGDZAGG-UHFFFAOYSA-N 354.382 1.925 0 40 FDAB COc1ccc(OC)c(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c1 36589971 BGQYSHNIYFVLGT-OAHLLOKOSA-N 369.377 1.783 0 40 FDAB biogenic CN(C)c1ccc([C@H]2CCCN2Cc2nnnn2CC(F)(F)F)nn1 643731400 QCWRMIATYKUSBW-LLVKDONJSA-N 356.356 1.429 0 40 FDAB COc1cccc(-c2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cc2)c1 824787264 PZMJSNLBPDPGFY-UHFFFAOYSA-N 365.433 1.618 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC(C)(C)O1 68462609 KKSVPXHVAIILKA-JTQLQIEISA-N 356.419 1.898 0 40 FDAB CN(CC(=O)NCCSCc1ccccc1)c1ncnc2[nH]cnc12 45978895 SMYFYFGGFOKGTF-UHFFFAOYSA-N 356.455 1.839 0 40 FDAB CCOC(=O)CN(CC(=O)NC(=O)NC1CC1)Cc1ccc(F)cc1 50964682 JMAXEPMTJFOVSN-UHFFFAOYSA-N 351.378 1.179 0 40 FDAB CCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52152407 MELWVGIAJNGRKE-UHFFFAOYSA-N 355.797 1.290 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccco3)cc2)CCN1 84432184 BMQSFQBMFQQJPU-HZPDHXFCSA-N 367.405 1.272 0 40 FDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(N3CCCC3)C2)cc1 898606354 SLRCMBOBEFSYHI-UHFFFAOYSA-N 350.484 1.718 0 40 FDAB CCOC(=O)C(=O)SC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 5574311 UKXXBHVSRTZOMT-LLVKDONJSA-N 355.368 1.189 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 5090823 MQFAJDVHISGRMJ-OWSLCNJRSA-N 358.438 1.830 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 16090809 SMQUZMPUKBBTBP-UHFFFAOYSA-N 353.419 1.937 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406881 UISDRSDIZZTEAF-MROQNXINSA-N 373.379 1.841 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)/C=C/c1cccc(OC)c1OC 3448656 WINRRRWHCRGRDA-CMDGGOBGSA-N 350.371 1.496 0 40 FDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)c3ccc(=O)[nH]n3)nn2c1O 105713538 WAQUDJZCJPXDTL-CQSZACIVSA-N 368.397 1.366 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc(O)n1 643586055 UKRYXLKSIPUEHU-IDHHARJASA-N 355.394 1.250 0 40 FDAB COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1OC 16849880 AEQFEUMNPNRVBM-UHFFFAOYSA-N 361.398 1.202 0 40 FDAB OCCN1CCN([C@H](c2cccs2)c2sc3ncnn3c2O)CC1 22031028 WHZZMPMHJRSFCX-GFCCVEGCSA-N 365.484 1.257 0 40 FDAB O=C(COc1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1 4906395 FREQHRWXEJTWGE-UHFFFAOYSA-N 353.422 1.530 0 40 FDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C2)nn1 1888849776 JPIYOEZANXGWOR-CYBMUJFWSA-N 362.430 1.454 0 40 FDAB Cc1nc(C2CC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888875954 RLLZCEXDCRLIRB-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB O=S1(=O)N=C(N2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)c2ccccc21 1888879380 IWUDBCRXZXTACZ-RYUDHWBXSA-N 373.413 1.133 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc2c(c1)OCCO2 23074213 JDVUINGUURPLQU-KBPBESRZSA-N 358.394 1.249 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NCCn1ccc(-c2cnccn2)n1 238933313 VGVOEZWHQFZJOJ-UHFFFAOYSA-N 361.402 1.766 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)n[nH]1 1565545781 OTSJOAOSDZJVAD-UHFFFAOYSA-N 367.409 1.432 0 40 FDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCN(C(=O)c3cc(C4CC4)on3)C2)C1 1565544180 YQTPNBIELGXRHU-ACJLOTCBSA-N 363.414 1.030 0 40 FDAB C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 1565553390 XAZICDMUHVYQJJ-KKVAFCGZSA-N 364.486 1.604 0 40 FDAB COc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4329658 PYEYOUDHDVXHAG-UHFFFAOYSA-N 372.429 1.297 0 40 FDAB O=C(NC(=O)c1cccc(C(F)(F)F)c1)O[C@H]1CCS(=O)(=O)C1 4452424 SPSNEFVEHWOZNF-JTQLQIEISA-N 351.302 1.759 0 40 FDAB CN1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1 9520912 HXCREXJULDZELE-UHFFFAOYSA-N 373.434 1.745 0 40 FDAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(=O)n(C)c3)n2C)no1 16849528 RPNKHSAPKDLSMU-UHFFFAOYSA-N 360.399 1.208 0 40 FDAB CC(C)NC(=O)C1=NO[C@]2(COCC[C@@H]2NC(=O)[C@H]2CC[C@H](C)CC2)C1 2055793351 SAPKNIQKXVREAN-PWDMQXDWSA-N 365.474 1.758 0 40 FDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734713 NRBSZIMDGCXMIR-CYBMUJFWSA-N 360.414 1.399 0 40 FDAB COc1cc(N2CCN(C(=O)c3ccc4nsnc4c3)CC2=O)ccn1 1775973627 PPDIZGWUJZAZIT-UHFFFAOYSA-N 369.406 1.584 0 40 FDAB C[C@@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccco1 206716240 QTUBJWLLBNBQBA-OAHLLOKOSA-N 359.350 1.913 0 40 FDAB Cc1ccc(CC(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)cc1 19210003 HEPXAVKXXQAYGH-MRXNPFEDSA-N 364.453 1.571 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 30848403 GMBTYIBIZZKJHZ-ZDUSSCGKSA-N 366.414 1.138 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCCc2ncc3ccccn23)c1 31773173 VRATZVWIBHBIRU-UHFFFAOYSA-N 361.423 1.873 0 40 FDAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 21208554 GFOHUWHAISLXBH-AWEZNQCLSA-N 356.382 1.928 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 32895304 SKDMCVUUVIUWKI-UHFFFAOYSA-N 353.444 1.834 0 40 FDAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 2635682 YTHZPXSWBZVPIH-UHFFFAOYSA-N 356.338 1.445 0 40 FDAB CC(C)NC(=O)Nc1ccccc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 52930383 XLIDEWQHTYCXNG-GFCCVEGCSA-N 353.444 1.476 0 40 FDAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(S(N)(=O)=O)c1 3311917 PPYZBMZRIBOHLW-UHFFFAOYSA-N 362.407 1.746 0 40 FDAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3450594 CCTOFOJZOGXVJH-VIFPVBQESA-N 354.409 1.580 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 4108489 MVVRECSWYQVSNV-ZOMKSWQUSA-N 354.786 1.726 0 40 FDAB N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)O 4894777 JUHAVNXIAQKYKZ-WCBMZHEXSA-N 373.228 1.226 0 40 FDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccc(F)cc1 6859705 KXEBJXBDSPOKPP-UHFFFAOYSA-N 353.400 1.682 0 40 FDAB Cc1cccc(N2C(=O)CN(Cc3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)c1 57747440 XJITUTYKIZUWOI-DLBZAZTESA-N 360.435 1.602 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)=O)c1ccc(C)cc12 806611 GBQQFYGFAGYPFV-MRXNPFEDSA-N 360.395 1.043 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 951750 PABHDFVSSOXPRY-CYBMUJFWSA-N 359.357 1.228 0 40 FDAB COc1cc(NC(=O)Cc2c(C)nn(C)c2C)c(C(=O)N(C)C)cc1OC 25221119 OZSFVIMRIOEPLD-UHFFFAOYSA-N 374.441 1.937 0 40 FDAB C[C@H](Sc1ncc2ccccn12)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 26591814 PZQJWDOBSWXHBB-WCQYABFASA-N 353.469 1.460 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)cc1 10021477 FJQSUXIAXIMIOL-CQSZACIVSA-N 368.455 1.338 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 58182317 NMGXBHDPFGHZBB-HNNXBMFYSA-N 352.456 1.722 0 40 FDAB CS(=O)(=O)c1ccc(-n2nnnc2COc2ccc(F)cc2F)cc1 58163685 OPKNNLGOVJFWQT-UHFFFAOYSA-N 366.349 1.923 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2 12600435 SOGBUEKHMJHDBW-KBPBESRZSA-N 358.394 1.962 0 40 FDAB CN(CC(=O)NCC(C)(C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 58393754 BTFOVNSCTKBWKB-HNNXBMFYSA-N 372.918 1.853 0 40 FDAB O=C(CC1CCCC1)NCC(=O)N[C@H](Cn1cncn1)c1ccccc1 69926925 RXFTUAIPVPFNHQ-QGZVFWFLSA-N 355.442 1.832 0 40 FDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23315631 LXYSRLDMHDVHFK-CYBMUJFWSA-N 362.455 1.036 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11483072 BSXZZKLYBSRZIW-LBPRGKRZSA-N 369.381 1.009 0 40 FDAB CC[C@H](C)c1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 48304259 RTBVHHBWNHCVCW-AWEZNQCLSA-N 354.472 1.683 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 29675119 JCYIOBLQQPSJRA-SFHVURJKSA-N 372.513 1.952 0 40 FDAB CCOc1cc(C(=O)OCC(N)=O)ccc1OCC(=O)N1CCCCC1 3496544 XMLAKBINVRYMPT-UHFFFAOYSA-N 364.398 1.119 0 40 FDAB Cc1cc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc12 12970800 POSNUGLGPICSHT-UHFFFAOYSA-N 370.434 1.498 0 40 FDAB CCN(CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 6051602 YDVYUKCDLWLDGE-UHFFFAOYSA-N 369.487 1.296 0 40 FDAB Cc1cccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)c1 8969015 IEDXLZOTSVMUOT-UHFFFAOYSA-N 369.454 1.910 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC[C@@H]2CCCO2)c1C 5326497 AIQPHPKQBKIFBQ-LBPRGKRZSA-N 352.387 1.260 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3ccccc3F)ccc21 14157802 SOFGWEOKGYEMKI-UHFFFAOYSA-N 355.369 1.821 0 40 FDAB Cc1cccc(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 14199876 YKBIAKWOURFZJP-IAGOWNOFSA-N 367.515 1.467 0 40 FDAB Cc1ccc(CN(CC(=O)NCCO)S(=O)(=O)c2ccccc2)cc1 4551464 NGLTWQBQIQQGJO-UHFFFAOYSA-N 362.451 1.294 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4505318 HIVGGQGNYVQAMP-CYBMUJFWSA-N 361.485 1.529 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 5422933 PLEBPAFWYMVCCA-UHFFFAOYSA-N 359.426 1.908 0 40 FDAB CCS(=O)(=O)N(C)C1CCN(C(=O)NCCc2ccc(F)cc2)CC1 66907068 UBVLHCUVEIQUGR-UHFFFAOYSA-N 371.478 1.824 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(N3CCCCCCC3)nc2)CC1 15210570 ZNRJQXUDWKBJET-UHFFFAOYSA-N 352.504 1.788 0 40 FDAB O=C(Nc1ccsc1C(=O)NCCCN1CCCC1=O)c1cnccn1 67335699 CRSFQWWHSMAGNP-UHFFFAOYSA-N 373.438 1.533 0 40 FDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 67681040 MDCHAURDPUNJEY-HNNXBMFYSA-N 352.456 1.768 0 40 FDAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-n2cnnn2)cc1 7777303 QNVKYRYRVRXSHG-UHFFFAOYSA-N 370.438 1.502 0 40 FDAB CCN1C(=O)C[C@H](N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 25052315 WNPDCNRZJOPAQE-LBPRGKRZSA-N 373.331 1.603 0 40 FDAB O=C1CCC(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)=NN1 96585735 PGFUIRWXIPZSIN-JLHYYAGUSA-N 372.406 1.105 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1c1nc(C(F)(F)F)nc2ccccc12 9606223 GYZLXRAJECSNCT-NSHDSACASA-N 368.315 1.517 0 40 FDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccc(F)cc1 72284055 BYHZZAXZVCQPPL-GJZGRUSLSA-N 352.406 1.855 0 40 FDAB Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)CC2 73142770 ZNKOKXOJHRXXAF-QGZVFWFLSA-N 366.465 1.577 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1 95947126 XRFWYUWZISDLHA-GOSISDBHSA-N 372.513 1.321 0 40 FDAB CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408605565 NAUQIWNTLJWIAY-AWEZNQCLSA-N 354.472 1.934 0 40 FDAB CC(C)c1cccc(CNC(=O)N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)c1 551982051 DESQRMIHZXRLBB-MSOLQXFVSA-N 369.469 1.954 0 40 FDAB O=C(O)C[C@@H]1CCN(C(=O)C(=O)O)C[C@@H]1CC1=NCCc2ccccc21 67878741 XRLIDBWEWNHQIG-KBPBESRZSA-N 358.394 1.446 0 40 FDAB biogenic,in-vitro CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)cc1 408596408 UUKZNIQSQYBKJU-QWHCGFSZSA-N 358.460 1.293 0 40 FDAB OC[C@@H]1CCCN1c1cc(NCCc2nnnn2-c2ccccc2)ncn1 509497071 ZBUDOTYNQYWWMG-HNNXBMFYSA-N 366.429 1.068 0 40 FDAB COC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217668783 ROAHYKJCCRBPMO-QWRGUYRKSA-N 360.432 1.145 0 40 FDAB Cc1ccc(N2CCCN(C(=O)[C@]3(c4ccccc4)CCNC3)CC2)nn1 564827395 KJIVEEKRVFNKOA-OAQYLSRUSA-N 365.481 1.755 0 40 FDAB CCc1ncc(CN2CCN(C(C)=O)C[C@@H](Cc3ccccn3)C2)cn1 72355226 SBDZEQIUDRDOIX-KRWDZBQOSA-N 353.470 1.957 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44842453 YAEKZGAHZRABQB-MRXNPFEDSA-N 350.484 1.940 0 40 FDAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(C(C)=O)CC2)cc1 225431252 ZDXHUOJRYCKBSY-LBPRGKRZSA-N 373.409 1.708 0 40 FDAB biogenic,in-vitro CS(=O)(=O)c1ccc(CCC(=O)NC[C@]2(O)CCc3ccccc32)cc1 225619005 IDQDHFDHSDDTAP-HXUWFJFHSA-N 373.474 1.973 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 48217304 SCXAZRZNZLNSEG-GFCCVEGCSA-N 372.450 1.764 0 40 FDAB Cc1ccccc1OCC(=O)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 75156541 ZNUDSATVOCLCRI-UHFFFAOYSA-N 366.377 1.738 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3cnoc3)CC2)CN1c1ncccn1 96217971 QKPXZCYZDYJNMD-HNNXBMFYSA-N 357.414 1.612 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96049257 PMRCZPNFFUSAIJ-UHFFFAOYSA-N 364.467 1.899 0 40 FDAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 583619874 UDIUOCADBVJFCP-MFKMUULPSA-N 357.311 1.901 0 40 FDAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccn3)CC2)O1 96243646 GLYDRQKMACBEDM-QGZVFWFLSA-N 369.469 1.693 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107986 KXGUCBBOVBNFCA-WMLDXEAASA-N 354.447 1.557 0 40 FDAB Cn1c(C(=O)NCCc2ccccc2)nc2c1CCN(c1ncccn1)C2 96264873 XAKFYLJDMLYKTE-UHFFFAOYSA-N 362.437 1.745 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 248119940 MUBDWUNSAIHBQU-FUHWJXTLSA-N 365.499 1.738 0 40 FDAB Cn1cnc2c1[C@H](C(=O)N1CCOCC1)CN(CCc1ccccc1)C2 248060373 UNWCTNYGSSRIGW-QGZVFWFLSA-N 354.454 1.421 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3ccncc3)ccnc12 257275270 NOQJTMPEAICUAO-OAHLLOKOSA-N 364.409 1.851 0 40 FDAB CS(=O)(=O)N1CCC[C@@]12CCN(Cc1ccc(Cl)cn1)C[C@@H]2O 257336591 YPCVVLJHQJRRBD-GJZGRUSLSA-N 359.879 1.096 0 40 FDAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 257220849 DMLIPDKNDRSTEV-OAHLLOKOSA-N 355.442 1.337 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257283227 OXIMOCXVTQAQCE-LBPRGKRZSA-N 361.423 1.666 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 251983931 GRGQRLXEWSEVPC-SFHVURJKSA-N 373.457 1.588 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257233827 GQXIPTPPRCCDMP-GFCCVEGCSA-N 361.423 1.666 0 40 FDAB C[C@@H]1CN(C(=O)NCc2ccc(C[S@](C)=O)cc2)CC[C@@H]1C(=O)O 599863237 AREPDQCTBGWAQW-PIQRMGSASA-N 352.456 1.817 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298096148 OVHRWTBCATVDCD-RPLLJCPNSA-N 368.389 1.284 0 40 FDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1CC1(O)CCN(c2ccccc2F)CC1 585282535 FZOYAKGLZICHJS-YESZJQIVSA-N 363.477 1.296 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2cccnc2)cn1 585094982 YEURVAPSVFCUMS-QGZVFWFLSA-N 352.442 1.692 0 40 FDAB Cc1c(C(=O)N2CCN(C)CC2)c(C(F)(F)F)nn1C1CCN(C)CC1 49362582 LHMGLOKIBMVHIC-UHFFFAOYSA-N 373.423 1.865 0 40 FDAB Cc1cc(=O)n(CC(=O)N2CCC(COc3ncccc3C)CC2)cn1 1775995978 PKYKDJBGOQZDRB-UHFFFAOYSA-N 356.426 1.573 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)Cc1cccc2ccc(OC)cc12 643940877 SRFOQXJRBOOUCT-FQEVSTJZSA-N 356.422 1.884 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C(C)C)C(C)C)nc12 12117699 KXBAGAMVHDWAIX-UHFFFAOYSA-N 373.457 1.743 0 40 FDAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(N)=O)C2)on1 12121239 FGPWYXGYXZLUPD-ZDUSSCGKSA-N 354.414 1.666 0 40 FDAB Cc1ccc(OCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 12875480 FRBXBNGXHLNRIB-UHFFFAOYSA-N 356.378 1.649 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19502172 KNQLHHBPRIXNKV-ROYATCLZSA-N 374.437 1.760 0 40 FDAB CN(C)Cc1cc(C2CCN(S(=O)(=O)C3CCCC3)CC2)nn1C 19710234 NJNRSEUNZDGQMN-UHFFFAOYSA-N 354.520 1.934 0 40 FDAB NC(=O)C1CCN(Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1661015 ATMCJGQBAGGLLI-UHFFFAOYSA-N 358.486 1.081 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCN2[C@@H](C)CCC[C@H]2C)CC1 2953464 HJAYMHYJHPMAJK-GASCZTMLSA-N 359.536 1.427 0 40 FDAB C/C=C\C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016630 ACMOUJAZBDOPNL-RQOWECAXSA-N 355.373 1.473 0 40 FDAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NC[C@H]1CCCO1 11739272 VPVMVSGFVBYTET-LLVKDONJSA-N 362.411 1.709 0 40 FDAB Cc1cccc(CO[C@@H]2CN(S(=O)(=O)C3CC3)[C@@H]3CCCO[C@H]23)n1 2055745597 NAEUBFPNYTUVRQ-ZACQAIPSSA-N 352.456 1.631 0 40 FDAB COCCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@H]21 2055746338 PTOYKKLQNMJVTN-CABCVRRESA-N 353.850 1.687 0 40 FDAB O=C(CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1)Nc1ccccc1F 2086881904 AGNOFSUSXUHACF-GFCCVEGCSA-N 355.435 1.310 0 40 FDAB O=C(Cn1nnc2ccccc21)NCc1cncc(N2CCCC2=O)c1 585150338 OLILLAGZTAZOPX-UHFFFAOYSA-N 350.382 1.270 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 40072674 OECJYMXOMAJNMR-CZUORRHYSA-N 351.472 1.930 0 40 FDAB COC(=O)c1cc(NC(=O)Cn2nc3ccccn3c2=O)c(F)cc1F 32796558 CWZUOHQGAQUZIC-UHFFFAOYSA-N 362.292 1.200 0 40 FDAB CCN(CC)C(=O)CSc1nnc(SCC(=O)NC2CC2)s1 21642863 RAXHWYYVUVDIHY-UHFFFAOYSA-N 360.530 1.869 0 40 FDAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cccc(-n2cnnn2)c1 12096366 UHXZRDXHOXMIRB-DZGCQCFKSA-N 357.414 1.999 0 40 FDAB Cn1cnn(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1=S 21997306 MZBUXQBLDYGYKB-UHFFFAOYSA-N 361.471 1.498 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cc3ccccc3o2)CC1 4332243 FDJAAFRLVGAKFU-UHFFFAOYSA-N 360.366 1.890 0 40 FDAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccco1 22471440 BANOXDPHVKBFBV-UHFFFAOYSA-N 354.366 1.408 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1C 7318398 GBONKTKVNVGZSM-SNVBAGLBSA-N 371.397 1.025 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)c(C)c1 22931016 HVZBMFMHDHANME-INIZCTEOSA-N 358.486 1.527 0 40 FDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(C(N)=O)c1 23133513 FOAZTBALTVHEJL-OAHLLOKOSA-N 359.451 1.918 0 40 FDAB O=C1C[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)CN1Cc1ccccc1 104623201 WIAQILLUGGQYBF-QGZVFWFLSA-N 369.465 1.649 0 40 FDAB O=S1(=O)CC[C@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)C1 24106009 BDTDLWSBZKMASD-ZDUSSCGKSA-N 372.450 1.685 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OC(F)(F)F)cc1 25033168 CYFAFUJQPCYLKD-NSHDSACASA-N 360.288 1.089 0 40 FDAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1cnc2ccccc2c1=O 25180340 NOHPSALGYAZAGG-UHFFFAOYSA-N 363.373 1.772 0 40 FDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 57554886 JWZMOZHGCVDTJX-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB O=C(COc1ccccc1CN[C@H]1CCc2ncnn2C1)N1CCCC1 109072453 CRHXATZGZANXNJ-INIZCTEOSA-N 355.442 1.384 0 40 FDAB Cc1c(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 12641554 HKPCVWXXAVYXIP-LZWOXQAQSA-N 372.469 1.921 0 40 FDAB C[C@@H]1C[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626945 ASEHECICOLPMQJ-CZUORRHYSA-N 352.456 1.121 0 40 FDAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)NC1CCCCCC1 10028037 QUWBQLZZXLATGF-OAHLLOKOSA-N 353.394 1.297 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)CC1 44719692 VSGLLNCUCGKTTJ-AEFFLSMTSA-N 371.481 1.923 0 40 FDAB CN(Cc1cscn1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 58202575 PSKOCTUTLHHDFG-UHFFFAOYSA-N 354.457 1.856 0 40 FDAB CCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O 29014096 YCHILGZBSSAXAW-UHFFFAOYSA-N 366.377 1.533 0 40 FDAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1cccc(S(N)(=O)=O)c1 48326018 XOCRXKIJYXBINY-GFCCVEGCSA-N 354.453 1.515 0 40 FDAB CC(C)N1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12898780 XKAUBYIYCWIUQL-UHFFFAOYSA-N 365.499 1.965 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)ccc1F 12904183 UVRZGFTXFUMIMD-ZWNOBZJWSA-N 373.402 1.717 0 40 FDAB COc1ccccc1[C@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O 12993346 RBPQBIBQIQMQEY-ZDUSSCGKSA-N 353.382 1.315 0 40 FDAB O=C(CCNC(=O)NC1CCCCC1)NC[C@@H]1COc2ccccc2O1 12909677 URSMPXWFTPYYRW-OAHLLOKOSA-N 361.442 1.965 0 40 FDAB O=C(O)c1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 13094180 NUKSRDNVFCHGON-UHFFFAOYSA-N 366.464 1.953 0 40 FDAB C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 5267133 FUYIBDTVWYJYOG-SGJUXQJHSA-N 373.478 1.820 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 6344815 BOPKIQXCNXAKPN-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB C[C@H](C(=O)N1CCOCC1)N(C)CC(=O)Nc1cccc2ccccc12 14085846 CNTIRVJKKWZFPI-OAHLLOKOSA-N 355.438 1.957 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1 6560119 KLMQWXOYCWXYBL-CSKARUKUSA-N 362.407 1.639 0 40 FDAB COCCCN1C(=O)c2ccc(C(=O)Nc3nnc(C)s3)cc2C1=O 14715231 YOWZIYXPVJFSBV-UHFFFAOYSA-N 360.395 1.731 0 40 FDAB Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C 7413503 TVDXGNYMUVOFDV-UHFFFAOYSA-N 352.387 1.212 0 40 FDAB Cc1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C 9447240 PSLQGAUXBHOUEK-ZDUSSCGKSA-N 363.439 1.407 0 40 FDAB CN(C)CCCNC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)O 72400749 QSRDIUKCTDRAJJ-UHFFFAOYSA-N 371.397 1.109 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N1CCc2ccccc2C1 96514045 DJGIGWQOMIGNIE-RQZCQDPDSA-N 360.435 1.551 0 40 FDAB CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2cccs2)cc1 95947509 HRXJZSLZZAHYAA-UHFFFAOYSA-N 373.477 1.589 0 40 FDAB O=C(COC(=O)c1cc(F)c(O)c(F)c1)NC(=O)NCc1ccccc1 95963492 SEPFDTSBIXUMKJ-UHFFFAOYSA-N 364.304 1.853 0 40 FDAB CCCn1cnnc1COC(=O)Cc1ccc(S(=O)(=O)NCC)cc1 95942898 ZAEAQSZLDCEICD-UHFFFAOYSA-N 366.443 1.272 0 40 FDAB Cc1ccc(N2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nn1 306136662 PZJQWFUWWPQQLX-OAHLLOKOSA-N 365.441 1.658 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1)N1CCCCCC1 408583243 GPLRGDIFEYQECT-UHFFFAOYSA-N 355.460 1.755 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)c(C)c1 408550817 FJKMLQXSWSVSTO-OAHLLOKOSA-N 354.472 1.121 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71283343 XLAFSXXHMPZZBR-FGTMMUONSA-N 368.481 1.847 0 40 FDAB Cc1ccc(NC(=O)[C@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1F 64960032 HDTSIHQCOZHLEY-AWEZNQCLSA-N 353.350 1.942 0 40 FDAB O=C(CNS(=O)(=O)c1cccnc1)N1CCC[C@H](c2ccccc2)C1 521971728 HTSIASAECZEOFQ-INIZCTEOSA-N 359.451 1.766 0 40 FDAB Cc1cc(C(=O)NCc2ccc3c(c2)CN(C(=O)c2cc(C)[nH]n2)C3)n[nH]1 526017291 LTGCSNOLCZANOB-UHFFFAOYSA-N 364.409 1.836 0 40 FDAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225680852 VFYOMLYJPOGSEZ-DGCLKSJQSA-N 356.469 1.524 0 40 FDAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 44947204 JEHOMYFGGAKHJO-UHFFFAOYSA-N 371.478 1.045 0 40 FDAB CN(C)CCNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96147673 DCVYJRSJFGTMGO-UHFFFAOYSA-N 356.474 1.713 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@@]3(C[C@H](Nc4ccccc4)CO3)C2)c1 96218822 DBDAEAJMQXIEDJ-DOTOQJQBSA-N 362.455 1.454 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106838 RYBCLXMADVGJNY-MRXNPFEDSA-N 354.410 1.852 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224460 HEUSIINYTKBOLC-IBGZPJMESA-N 351.410 1.527 0 40 FDAB CCN1C[C@]2(CC1=O)CN(C(=O)NC)CCN(C(=O)Nc1ccccc1)C2 96262165 PCNXHYNXISATNX-LJQANCHMSA-N 373.457 1.414 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3nccs3)C2)OC1 248101923 FANBHMYTIDQPJM-AWEZNQCLSA-N 360.483 1.893 0 40 FDAB Cn1cc(C(=O)NC[C@H]2CCC3(CN(Cc4ccccn4)C3)OC2)cn1 248153478 UZSANVHOHBYUNF-OAHLLOKOSA-N 355.442 1.226 0 40 FDAB O=C(NC[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccncc1 247526759 ZMCCWCAAKRMSOF-CYBMUJFWSA-N 357.389 1.426 0 40 FDAB CCCn1ccc(C(=O)N2CCC[C@H]2c2cncc(CNC(C)=O)n2)n1 257224085 FAFLGBYETCRTPA-KRWDZBQOSA-N 356.430 1.697 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1Cc1ccc(Cl)cn1 257304400 SLLGRFBRMARLJP-GFCCVEGCSA-N 356.835 1.435 0 40 FDAB CCc1noc([C@@]2(O)CCN(C(=O)NCCc3ccc4c[nH]nc4c3)C2)n1 585083096 OKFMCARERJZOPJ-GOSISDBHSA-N 370.413 1.354 0 40 FDAB Nc1cccc([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257336156 YNKVLLGHLJHXAD-INIZCTEOSA-N 353.426 1.873 0 40 FDAB Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(O)c21 585655827 WLXSCRWHMLYREP-LBPRGKRZSA-N 356.430 1.997 0 40 FDAB CN1CCC[C@@H](CN(C)S(=O)(=O)c2ccco2)[C@@H]1c1cncn1C 671435956 KDSYITSQLXVEIP-XJKSGUPXSA-N 352.460 1.717 0 40 FDAB COCCN1CCC[C@@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1 606843572 XZNQENGYXAOVTF-GFCCVEGCSA-N 361.364 1.863 0 40 FDAB Cc1nn(C)c(OCC(F)(F)F)c1CN=c1[nH]nc(CCO)s1 630958142 HWFYGIQDUNBCSN-UHFFFAOYSA-N 351.354 1.090 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 643847315 DLBMRIDXNYHIKU-QGZVFWFLSA-N 351.355 1.172 0 40 FDAB COc1ccc(CNC(=O)Nc2cc(-n3cncn3)ncn2)cc1OC 96098011 MBOCUDPLQZGLJD-UHFFFAOYSA-N 355.358 1.396 0 40 FDAB CCOc1ccc(OCC(=O)N2CCN(c3nnc(C)n3C)CC2)cc1 640542033 AOJAFUDDLZLWHH-UHFFFAOYSA-N 359.430 1.250 0 40 FDAB NC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19881320 NDAVEJBRWDBPEO-UHFFFAOYSA-N 352.438 1.542 0 40 FDAB O=C1N[C@]2(COC3(CCN(C(=O)[C@H]4CCCO4)CC3)C2)Nc2ccccc21 12085434 UJSNMESCXDBJHA-OXQOHEQNSA-N 371.437 1.499 0 40 FDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(N)=O 12904922 OBRGJHVUJHIQOU-NSHDSACASA-N 356.444 1.070 0 40 FDAB O=C([C@H]1CC12CCC2)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 19375864 IQRBLAPCPMRYII-OAHLLOKOSA-N 352.438 1.758 0 40 FDAB CCCNC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(C)cc3)c21 19503636 PGCOVZSLVICDGO-UHFFFAOYSA-N 366.425 1.709 0 40 FDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1 19657988 QEVFBJMOFLMRFL-LJQANCHMSA-N 371.460 1.835 0 40 FDAB CCOC1CCN(C(=O)COc2ccc(-n3nc(C)cc3C)nn2)CC1 19718899 KKEYCXUQVDZGKD-UHFFFAOYSA-N 359.430 1.685 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC[C@H]1CCCO1 19930492 HCWHCCSVWYPAKW-OAHLLOKOSA-N 352.456 1.355 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3O)C2=O)o1 6407508 IEUJCKFIFNTBIE-XYOKQWHBSA-N 372.333 1.873 0 40 FDAB O=C(NC(=S)n1nc(NC(=O)C2CC2)c2nc3ccccc3n21)C1CC1 3276844 BHQCACQCGTXXLY-UHFFFAOYSA-N 368.422 1.692 0 40 FDAB COc1cc(C(=O)NCC(=O)NC(C)C)cc(OC)c1Br 7116327 ZMAQECMOZRHVPX-UHFFFAOYSA-N 359.220 1.721 0 40 FDAB Cc1noc(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7147037 OBDYELXANPGEGN-LBPRGKRZSA-N 359.382 1.893 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)Cn2ncccc2=O)C3)nc1 1888853596 NDZYOZAKJUXSJD-HNAYVOBHSA-N 369.425 1.049 0 40 FDAB Cc1nc(C)c(F)c(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 1888859527 KNLMRDPLJQEXTC-UHFFFAOYSA-N 360.315 1.957 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nc(O)c(F)c(C5CC5)n4)CC3)nn12 1888901043 PERFTBDBJFCXJG-UHFFFAOYSA-N 370.392 1.271 0 40 FDAB OCC[C@H]1CN2CCC[C@@H]2CN1[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 2037963992 KDMMILWPQBAZCK-KZEVZHLLSA-N 360.498 1.878 0 40 FDAB CCn1cc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c(C)n1 2037985610 POTVTUISXUCWON-IBGZPJMESA-N 362.474 1.844 0 40 FDAB CCn1c(O)nc2c(N3CCN(c4cccc(OC)c4)CC3)ncnc21 2087044646 QYDJXFCTTHDKSI-UHFFFAOYSA-N 354.414 1.887 0 40 FDAB Cn1ncc2c(N3CCN(c4nccc(-c5ccccn5)n4)CC3)ncnc21 2087045372 LJSXTRSPEFXFAZ-UHFFFAOYSA-N 373.424 1.542 0 40 FDAB CC(C)c1noc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 2087131597 UZOGSMUWOXMNTE-GJZGRUSLSA-N 354.410 1.810 0 40 FDAB O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccc(F)cc1 10594564 IBNVSAWZDYJTOR-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@H]4CCCO4)cc1c32 12342443 VBLUJQMKVNITBV-FZMZJTMJSA-N 357.410 1.317 0 40 FDAB O=C(O)CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 16777409 NQDNBGLXJWWWCH-UHFFFAOYSA-N 368.802 1.979 0 40 FDAB O=C(Cc1ccc(Br)cc1)N1CC(CN2C(=O)COC2=O)C1 575617544 WXTRITVSFBFOST-UHFFFAOYSA-N 367.199 1.429 0 40 FDAB COc1cccc(C(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)c1 19564225 RTQRVNZIZVURDT-AWEZNQCLSA-N 366.425 1.423 0 40 FDAB CCN(CC)CCN/C(C)=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 100191223 DJKISOIIMXZWFX-SSZFMOIBSA-N 374.441 1.483 0 40 FDAB COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 144812817 YJSDCJXQCWZQGU-SDDRHHMPSA-N 358.435 1.061 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1n[nH]c2ccccc12 10427267 BVFZZXAMDZXHGI-UHFFFAOYSA-N 355.398 1.547 0 40 FDAB CCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 40017401 QLXDSYLTINJQOC-UHFFFAOYSA-N 356.444 1.941 0 40 FDAB O=C1CNC(=O)N1Cc1cccc(C(=O)N(C[C@H]2CCOC2)C2CC2)c1 40107937 SDYLTBDNXNXQRG-CQSZACIVSA-N 357.410 1.380 0 40 FDAB O=C(CCNC(=O)c1nc(N2CCCC2)ncc1Cl)Nc1ccccn1 40154469 KJRXYEVMLHYHMQ-UHFFFAOYSA-N 374.832 1.884 0 40 FDAB COc1ccc2[nH]cc(CCNc3c(N4CCN(C)CC4)c(=O)c3=O)c2c1 101682468 LNCKTMVKGMRRGG-UHFFFAOYSA-N 368.437 1.179 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)n1 101688200 CKRQUHNWQKSCQZ-FPMFFAJLSA-N 352.398 1.144 0 40 FDAB CON(C)C(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 32879736 GPTHUPQRQPCKJY-LLVKDONJSA-N 358.445 1.014 0 40 FDAB Cc1ccccc1N1C(=O)[C@@H]2N=NN(CC(=O)Nc3ccccc3)[C@H]2C1=O 102829423 MWQKMWFOQJJWCY-IAGOWNOFSA-N 363.377 1.927 0 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O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)c2ccco2)cc1 44720192 SNUGGNASTKEIJT-LBPRGKRZSA-N 362.407 1.696 0 40 FDAB CC(C)NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520262 NLZVZUXUMINMOX-UHFFFAOYSA-N 360.443 1.171 0 40 FDAB CCCCn1c(N)c(C(=S)NC(=O)c2ccccc2)c(=O)n(C)c1=O 3371684 BKVGDQZMVFUVLA-UHFFFAOYSA-N 360.439 1.035 0 40 FDAB CCOC(=O)C1=C(CNCCOc2ccccc2OC)NC(=O)N[C@@H]1C 58121300 OVWRKVLIFXMJMP-GFCCVEGCSA-N 363.414 1.182 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)n1 58231647 UZBWUAINFJYINQ-OAHLLOKOSA-N 368.441 1.541 0 40 FDAB CCNC(=O)C1(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CCCCC1 58202887 WVPKZKGSMZXRAB-UHFFFAOYSA-N 373.453 1.905 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1OC 28263768 NQGCYEGFJGEBJO-HZSPNIEDSA-N 362.426 1.693 0 40 FDAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(C(=O)c2ccco2)CC1 69367915 CDMHMCQUMVQIAK-UHFFFAOYSA-N 355.398 1.268 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)OC)c1 12919546 IQOUORRQCKHSPG-OAHLLOKOSA-N 368.455 1.495 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 13000253 QYTVFCCYTKKHHN-KSSFIOAISA-N 361.467 1.846 0 40 FDAB CC/C(NN1CCOCC1)=C1\C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 5092908 KYSCVYPQSRICJL-CCEZHUSRSA-N 374.397 1.619 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3F)o2)C1 8921737 RZSIFEJRZHDCTH-SNVBAGLBSA-N 364.402 1.692 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 19310373 KKESDPNUUPLIAM-AWEZNQCLSA-N 368.455 1.004 0 40 FDAB CN(C)CCNC(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 306144339 ZCVURYYCRQKYEO-OAHLLOKOSA-N 372.473 1.444 0 40 FDAB O=S1(=O)CC[C@H](c2nnc(SCc3nnc(-c4ccco4)o3)o2)C1 9594450 AULRQGUXKMOOPK-QMMMGPOBSA-N 368.396 1.907 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(C[C@@H]3CCCO3)C(=O)[C@@H]1C2 4761249 JUZIJWUKWUGDFW-KBPBESRZSA-N 362.451 1.737 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1(C)C 67233784 YZESMFAOYXYVLD-NSHDSACASA-N 360.863 1.644 0 40 FDAB CCN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 19790471 CJHKIJZCRFMDCX-UHFFFAOYSA-N 350.488 1.302 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(C)s1 91045282 GXKMPLMIKITAML-LLVKDONJSA-N 356.473 1.916 0 40 FDAB COc1ccc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 69451987 LLDQFERCAMSIJQ-CYBMUJFWSA-N 368.455 1.198 0 40 FDAB O=C(O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8429409 DUIDLQKXHIEPIE-AWEZNQCLSA-N 352.412 1.160 0 40 FDAB CCOC(=O)[C@@](NCCc1ccc(OC)cc1)(NC(C)=O)C(F)(F)F 19939248 FZMLMBNJLAKIMO-OAHLLOKOSA-N 362.348 1.785 0 40 FDAB CN(C)C[C@@H]1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@H]1O 72163309 ISFLMFXQQOHQHO-GOEBONIOSA-N 358.490 1.770 0 40 FDAB Cn1c(CN2C(=O)c3ccccc3S2(=O)=O)nnc1-c1ccccc1 84307054 JZKIVMQQOGIXIU-UHFFFAOYSA-N 354.391 1.827 0 40 FDAB CCC(CC)(CNC(=O)c1nn(-c2cccc(F)c2)ccc1=O)C(=O)O 95989888 VBAZWUCLDSBWSY-UHFFFAOYSA-N 361.373 1.992 0 40 FDAB COCCn1cc(NC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)cn1 75109757 PEBRHTCWMWOVAD-UHFFFAOYSA-N 366.491 1.560 0 40 FDAB O=C1C[C@@H](Cc2ccc(C(=O)N[C@H](CCO)c3cccs3)cc2)C(=O)N1 89799936 IJKFEIMYKSNAEA-HUUCEWRRSA-N 372.446 1.807 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NOCc1cccnc1)C2=O 89948243 OJRUUVIIDXRQQJ-UHFFFAOYSA-N 360.414 1.520 0 40 FDAB COc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)c(C(C)(C)C)c1 26781154 GJORLINIQRMOPI-INIZCTEOSA-N 366.502 1.342 0 40 FDAB CC[C@@H](C)N1CC(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080531 YONZRQHFSYOERQ-UHOFOFEASA-N 352.456 1.308 0 40 FDAB CC(C)Cc1noc(CN2C(=O)N[C@@H](Cc3cn(C(C)C)nn3)C2=O)n1 548007482 ULTMFNUFZXBBLE-LBPRGKRZSA-N 361.406 1.104 0 40 FDAB O=C(CN1CCC(NC(=O)C2CC2)CC1)NC1C2CC3CC(C2)CC1C3 548630331 WHIIJQCUOQAMBI-UHFFFAOYSA-N 359.514 1.918 0 40 FDAB C[C@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)n1cnc2c(N)ncnc21 529923786 FIMSGAZQBIOOLP-SNVBAGLBSA-N 364.413 1.222 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1-n1cnnn1 36727024 QXNMXLGPDQWASO-UHFFFAOYSA-N 364.409 1.990 0 40 FDAB O=C1CCCN1CCNc1ncc(-c2cnccn2)c([C@@H]2CCCO2)n1 72324902 GDHSTIHNCXYCEN-HNNXBMFYSA-N 354.414 1.819 0 40 FDAB C[C@@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)N1CCOCC1 72341209 VXNHCIKBZBWITD-AWEZNQCLSA-N 357.458 1.395 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc21 40285717 FONNDEVGYRVMRC-UHFFFAOYSA-N 357.341 1.436 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(CC(F)(F)F)CC1 44448737 JTWICIPRDKRBKT-CYBMUJFWSA-N 355.360 1.746 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)cc1C 224221641 KBNUFTVOHRJHSN-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 225784725 KWQHSPZZIPROAQ-ZOBORPQBSA-N 358.329 1.058 0 40 FDAB O=C(NC[C@@H]1COCc2c(-c3ccc4c(c3)OCO4)nnn2C1)C1CC1 96199413 AERYTKWKIPWIEO-NSHDSACASA-N 356.382 1.346 0 40 FDAB CN(Cc1ccco1)[C@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1 96158693 BBPBGRFLHUEJCI-OAHLLOKOSA-N 356.426 1.965 0 40 FDAB Cn1cc(CN2CCC3(CC[C@@H](C(=O)NCc4ccco4)O3)CC2)cn1 96109997 IRMUEMLFUYFKQF-KRWDZBQOSA-N 358.442 1.843 0 40 FDAB CC(=O)N1CCS(=O)(=O)[C@@H]2CCN(Cc3ccccc3C)CC[C@@H]21 96251606 VRTBIKRCGFXPTL-ZWKOTPCHSA-N 350.484 1.605 0 40 FDAB Cc1nc(CN2C[C@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cs1 96050937 AOGZPGJPGABPCE-HNNXBMFYSA-N 355.485 1.368 0 40 FDAB O=C(O)[C@H]1C[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1 96198723 JTEBZJMUURZZJR-DZGCQCFKSA-N 356.419 1.528 0 40 FDAB c1csc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052352 VLOPLKIFDCEXIE-SJLPKXTDSA-N 352.500 1.830 0 40 FDAB Cn1cc(-c2ccc(NC(=O)N[C@H]3CCOC4(CCOCC4)C3)nn2)cn1 332999101 AMJPJGMTMAVCNZ-AWEZNQCLSA-N 372.429 1.727 0 40 FDAB O=C(c1cnccn1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96062442 DIKSKJBQBFIOQC-KRWDZBQOSA-N 359.455 1.298 0 40 FDAB Cn1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4cccnc4)CCO3)C2)cn1 96207924 HMMYHDFYQZWWQO-PKOBYXMFSA-N 355.442 1.369 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(c1ncc(F)cn1)C2 96039781 JRJYNOTWOWAXNW-RHSMWYFYSA-N 352.410 1.096 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2ccsc2)C[C@]2(CNC(=O)C2)C1 96036007 ADJHGZKPJUQIOE-KRWDZBQOSA-N 364.471 1.130 0 40 FDAB O=C(c1cccnc1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96091101 KXFICQINPFBXSV-GOSISDBHSA-N 358.467 1.903 0 40 FDAB CS(=O)(=O)NCCCN(Cc1nccs1)[C@@H]1CC12CCNCC2 583623236 ZJJKRCRLQYOJGZ-CYBMUJFWSA-N 358.533 1.027 0 40 FDAB Cc1ncc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 257280584 OLLNIGJWZBTLMC-LBPRGKRZSA-N 367.500 1.894 0 40 FDAB CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(C(N)=O)cs1 585085206 WNPJHHRTGFVHJC-UHFFFAOYSA-N 352.504 1.337 0 40 FDAB Cc1ccsc1CN1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 253599884 WBQOMQNJFOHCER-CYBMUJFWSA-N 354.501 1.749 0 40 FDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCc2cn(C)nc2C)C1 257208980 BOJLPHWLDSSOJV-HNNXBMFYSA-N 356.474 1.974 0 40 FDAB Cn1nccc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 262815179 QPFIBBYCPCMNRT-OAHLLOKOSA-N 356.382 1.752 0 40 FDAB Cc1cnc2c(S(=O)(=O)NCC3(C(=O)O)CCOCC3)cccc2c1 275041131 VMVDAWJAWXCGIX-UHFFFAOYSA-N 364.423 1.703 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)Cc3ccc4c(c3)OCCO4)C[C@@H](C)O2)o1 619289919 KXFCWLBJPCLBHA-BDJLRTHQSA-N 359.382 1.680 0 40 FDAB O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 628205787 DWHJTUASAUVKCU-BPQIPLTHSA-N 356.426 1.257 0 40 FDAB O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1CN(Cc2ccccc2)CCO1 628205788 DWHJTUASAUVKCU-KBAYOESNSA-N 356.426 1.257 0 40 FDAB CC(=O)Nc1ccccc1CC(=O)N1CCN(CCc2ccncc2)CC1 636294691 FUWOPXTWAOUGPH-UHFFFAOYSA-N 366.465 1.969 0 40 FDAB COc1ccc(CN2CCC[C@](O)(CC(N)=O)C2)cc1Br 643745730 QUVWZIUXZXKDPC-HNNXBMFYSA-N 357.248 1.660 0 40 FDAB O=C(O)CN(C1CCC1)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 653496567 XRHGPBOFQCQKLX-UHFFFAOYSA-N 356.375 1.338 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119079 HMXQNWBMPMRACE-NSHDSACASA-N 374.422 1.653 0 40 FDAB Cc1cncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O 96119205 IHINZTJUTSLBQL-UHFFFAOYSA-N 361.345 1.549 0 40 FDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2nn(C)c3c2CCC3)C1 585277825 YFIMRPFSUOBMGO-HXUWFJFHSA-N 355.438 1.873 0 40 FDAB CCc1ccc(S(=O)(=O)NCC2(OCCO)CCSCC2)s1 828765277 BOGFWHRLFXNMLV-UHFFFAOYSA-N 365.542 1.864 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887176 KSETXFMTAUNMQY-STQMWFEESA-N 353.382 1.581 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC3Cc4ccccc4C3)[C@H]3CO[C@@H]2O3)n1 1534639810 GYAUQNNDGMQEQH-LTFPLMDUSA-N 355.438 1.283 0 40 FDAB COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](O)(CO)[C@@H]1C(=O)O)OCO3 5809645 NGTIFJDPPBHRMW-AOIWGVFYSA-N 374.345 1.330 0 40 FDAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N3CCN(C)CC3)n2)c1 12326557 SFFFBNSEARTKPD-DLBZAZTESA-N 369.469 1.413 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12362467 LWOPULWHDFJMGJ-ZDUSSCGKSA-N 366.443 1.038 0 40 FDAB COCCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 13556015 FXKFRQRBNQHCLN-UHFFFAOYSA-N 364.467 1.873 0 40 FDAB COc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 16635423 NOLYFFIAROQFKK-UHFFFAOYSA-N 364.423 1.923 0 40 FDAB Cc1nn(C)cc1-c1csc(NC(=O)CCN2C(=O)CCNC2=O)n1 19717044 MLNRUBVANMPGAD-UHFFFAOYSA-N 362.415 1.123 0 40 FDAB Cc1nc(CC(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cs1 19748961 BEXWQSKXKSEMAK-AWEZNQCLSA-N 374.532 1.161 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 6656208 JNIOBUFQARDABS-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB COc1cc(C(=O)Oc2cc(O)cc(O)c2CC(=O)O)cc(OC)c1O 514287851 DQTUVMSEGLDDBV-UHFFFAOYSA-N 364.306 1.667 0 40 FDAB biogenic,in-vitro CCn1cc(S(=O)(=O)N2CC[C@H](COc3ccc(C)nn3)C2)nc1C 1888867135 ZJKMSAWECQZODV-AWEZNQCLSA-N 365.459 1.399 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)NC(C)(C)C)C[C@@H]4C3)nn12 1888870011 PZWUUUCIRWZJLQ-STQMWFEESA-N 357.462 1.563 0 40 FDAB O=C(NCC1(N2CCSCC2)CCOCC1)C(=O)Nc1ccccc1 1888913886 IWJXHPFHXSWPRF-UHFFFAOYSA-N 363.483 1.339 0 40 FDAB Cc1cncnc1N1C[C@H]2CN(C(=O)Cn3cnc4ccccc43)C[C@H]2C1 1889215584 GPFKOKOLSYHMBU-IYBDPMFKSA-N 362.437 1.730 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 1263730762 JTHWJXZGAUQHGS-LLVKDONJSA-N 371.315 1.410 0 40 FDAB O=C(CN1C(=O)CCC1=O)Nc1ccccc1-c1cn2c(n1)SCC2 245187610 ZQTOTFKDHVGVFG-UHFFFAOYSA-N 356.407 1.743 0 40 FDAB O=C1CC(C(=O)N2C[C@H]3CCN(c4ncccc4F)CC[C@H]3C2)=CC=N1 2056223948 IQHWLYYMMXIEKX-GASCZTMLSA-N 356.401 1.823 0 40 FDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)C1CC(F)(F)C1 2055730343 XQTMWAMWESOYSZ-GFCCVEGCSA-N 355.385 1.526 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769418 LOTLFIMQXVEGRE-CQSZACIVSA-N 363.439 1.147 0 40 FDAB O=S(=O)(NC1CCN(c2ccc(Br)cn2)CC1)C1CC1 2298049608 BGFMGPOOACWSLU-UHFFFAOYSA-N 360.277 1.895 0 40 FDAB COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1c(Cl)c(C)cc(O)c1C2=O 15200243 YSOQPJCUGDZRKZ-QGZVFWFLSA-N 364.737 1.880 0 40 FDAB biogenic Cc1c(C(=O)NC[C@@H](O)Cn2ccccc2=O)cnn1-c1ccccc1 96124334 VURMFENOUVRKRS-MRXNPFEDSA-N 352.394 1.133 0 40 FDAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2ccccn2)CC1=O 96232020 NOKDPLYVQJGIBN-AWEZNQCLSA-N 355.394 1.956 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C(N)=O)c(Cl)cc12 206339800 APAOEHABEUMQLK-GFCCVEGCSA-N 364.785 1.610 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21 40122576 ZMFCBNSVAFYVLL-ZBFHGGJFSA-N 357.454 1.634 0 40 FDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 31684087 JDNKZLUGJHLBHI-SECBINFHSA-N 354.350 1.843 0 40 FDAB COc1c(F)cc2c(=O)c(C(=O)N3CCOCC3)cn(CCF)c2c1F 20720029 NTJIHGRKLNSEOG-UHFFFAOYSA-N 370.327 1.730 0 40 FDAB CCOC(=O)c1sc(CN2C(=O)c3ccccc3S2(=O)=O)nc1C 32666089 NBYALWKRMNKKDK-UHFFFAOYSA-N 366.420 1.973 0 40 FDAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)cc1 32755184 LZCYHDZNYORDDK-UHFFFAOYSA-N 367.448 1.851 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2ccc3c(c2)OCCO3)=NN1c1ccccc1 32770799 DCCNUGLTKYBKLC-OAHLLOKOSA-N 366.377 1.517 0 40 FDAB Cn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2ccc(C(F)(F)F)nc21 32788380 CWDFKGRTQVCLCA-UHFFFAOYSA-N 358.320 1.029 0 40 FDAB Nc1nc(Cl)cc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 32779182 IXIQGNRVYUTFFE-UHFFFAOYSA-N 361.833 1.806 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nccn2Cc2ccccc2)CC1 32803998 NNGSNXUOTNTJDU-SFHVURJKSA-N 354.454 1.755 0 40 FDAB Cn1cc(NS(=O)(=O)c2cccs2)c(C(=O)NCc2ccco2)n1 2804452 FQZPDSKNIDMFMY-UHFFFAOYSA-N 366.424 1.805 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 6081571 HOBKWQFLTJMNLR-ZDUSSCGKSA-N 357.366 1.826 0 40 FDAB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 6971031 OUJCPMXBVZRZMZ-GXDHUFHOSA-N 352.350 1.941 0 40 FDAB CN1C(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C(=O)C12CCCCC2 22738533 IOUOKKYNJBJCRY-UHFFFAOYSA-N 363.443 1.951 0 40 FDAB O=S1(=O)CC[C@H](N2CCN(Cc3cc(-c4ccco4)on3)CC2)C1 23257430 IAKBCQHOBIIWOI-AWEZNQCLSA-N 351.428 1.239 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128018 XDCQXSSPOXQACO-HZMVEIRTSA-N 360.502 1.929 0 40 FDAB COCC(=O)Nc1cccc(NC(=O)NCC(=O)NCC(F)(F)F)c1 47488002 DNJTTWBZIVMAJF-UHFFFAOYSA-N 362.308 1.072 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc2c(c1)OCO2 12407788 FLTUUUQRALSIHC-CYBMUJFWSA-N 363.395 1.074 0 40 FDAB COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1 1388689 FYJXOMLVELCADQ-MNOVXSKESA-N 358.803 1.961 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCOCC1 9236817 NELCCSFTWQHFGC-LLVKDONJSA-N 353.216 1.661 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 58250520 MSLMTWGRCWMZIW-STQMWFEESA-N 367.515 1.659 0 40 FDAB CNC(=O)c1ccccc1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 27401106 QYQYNCJUSJKRLL-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NCCCNC(=O)c2ccccc2F)C1 58166501 OJIMFVXBSIYGAS-CYBMUJFWSA-N 357.451 1.512 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)CC[C@@H]3CCCO3)ccc2c1=O 58184714 IDKPPSKNJLOKOF-OCCSQVGLSA-N 359.426 1.787 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1cccnc1N(C)C)C2=O 58213288 UTZRMGPLTXESTD-CYBMUJFWSA-N 366.421 1.757 0 40 FDAB CN(C)C(=O)N1C[C@H]2CN(S(C)(=O)=O)CC[C@@]2(c2ccccc2)C1 107817039 MRVNPJNWUWOHIC-RDJZCZTQSA-N 351.472 1.203 0 40 FDAB C[C@@H]1C(=O)NCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 58378326 HLNKCHOBRFILIM-GFCCVEGCSA-N 362.407 1.214 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)no1 3329497 RYEIYAYTBIWQGN-CQSZACIVSA-N 367.365 1.566 0 40 FDAB COc1ccc(C)cc1CN(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12733374 KIMXRRSSXIFBQA-KRWDZBQOSA-N 354.472 1.129 0 40 FDAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(=O)NC(C)(C)C 3450238 QMDZTTSYYJOGBH-UHFFFAOYSA-N 357.794 1.712 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 3555724 HFFQKRMHIPZTMY-INIZCTEOSA-N 362.407 1.715 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(C)n2)c(=O)[nH]c1=O 12908258 ORZGCWNSZNMFAV-UHFFFAOYSA-N 373.457 1.925 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CCOC(=O)CCCNC(=O)COC(=O)c1ccc(NC(C)=O)cc1 5835736 RYDINIHPOTXGOK-UHFFFAOYSA-N 350.371 1.261 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccco1 7563522 PXQCRNIAMMIGSU-UHFFFAOYSA-N 360.366 1.268 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024810 DDBNPHFKULZTKC-DICRZQGBSA-N 353.422 1.713 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)no1 7859276 SBAHFWDRGCQNGO-JTQLQIEISA-N 352.368 1.571 0 40 FDAB O=C1C[C@@H](C(=O)N2CCCC[C@@H]2C2OCCO2)CN1c1ccccc1F 69257212 VSQXHQGAGUQRAZ-CZUORRHYSA-N 362.401 1.933 0 40 FDAB Cc1cccc(OCC(=O)NN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C 8751442 HLXAETSZQQTKLP-GOSISDBHSA-N 357.366 1.774 0 40 FDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN([C@@H]3CCCCNC3=O)CC2)cc1 72308542 IKIIVGHSUMBWJG-VQIMIIECSA-N 372.513 1.862 0 40 FDAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408558574 JSQHNRMHWBDBES-SNVBAGLBSA-N 364.851 1.168 0 40 FDAB Cc1ncsc1C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 502713250 RBOQKJIELPRCLH-RYUDHWBXSA-N 364.450 1.654 0 40 FDAB Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 511176151 PJTBCWYBKITISD-GOSISDBHSA-N 361.467 1.687 0 40 FDAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217660597 CTAXUMONIDYLEH-LBPRGKRZSA-N 356.444 1.688 0 40 FDAB Cc1cc(CN2CCN([C@H](C(=O)NC(N)=O)c3ccccc3)CC2)no1 39519864 HRRMWROKYQLBHI-INIZCTEOSA-N 357.414 1.037 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccc(OC)cc1 71980163 DARHZPNVXLAUGG-INIZCTEOSA-N 362.426 1.362 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238859966 KMBCGBXGQPXNRF-OKILXGFUSA-N 350.378 1.339 0 40 FDAB Cc1ccccc1C(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224327946 VGKGOYBGJBNGPF-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)c(C)c1C 224240567 WTUIZACRNNEMBW-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB CC(=O)c1cn(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 134554225 BUXGRBCVPOEDBA-UHFFFAOYSA-N 369.421 1.424 0 40 FDAB CCN1C[C@H]2C3(CCN(S(=O)(=O)CC)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143888 ABGPTORPCZBAAC-MAUKXSAKSA-N 371.547 1.238 0 40 FDAB CCOC(=O)CNS(=O)(=O)c1ccccc1C(=O)c1ccccc1F 98212093 NJZFALSZVAIYBM-UHFFFAOYSA-N 365.382 1.898 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3cccn3C)C2)CC1=O 96239403 BCLIBVZZOLLEPD-IBGZPJMESA-N 356.426 1.895 0 40 FDAB CC(C)C(=O)N1CCN(Cc2ccc(F)cc2)C[C@@]2(CC(=O)N(C)C2)C1 96036057 HMSGZCIUCYNXSJ-FQEVSTJZSA-N 361.461 1.974 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccc(C)c3)CC2)O1 96243559 HKXGPZNKLBQESR-QGZVFWFLSA-N 354.454 1.828 0 40 FDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 96049489 DVDBKZSDJAYBKQ-FQEVSTJZSA-N 361.486 1.356 0 40 FDAB COCCNc1ccnc([C@H]2COCCN2C(=O)c2ccc(C)nc2)n1 96209641 DBXODAJCPBLYSO-OAHLLOKOSA-N 357.414 1.452 0 40 FDAB O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCN(c2ccncc2Cl)CC1 585140027 ZMDGMSGQXCVRIA-LBPRGKRZSA-N 361.833 1.924 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1OC 243424824 MVSFEKRRDDMQBV-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB Cc1ccc(N2CC3(CC[C@@H](CNC(=O)c4ccncc4)CO3)C2)nn1 247932966 RJFCRDQCPGYNPF-HNNXBMFYSA-N 353.426 1.595 0 40 FDAB CN(C(=O)c1cccc(Br)c1O)[C@@H]1CCCC[C@@H](O)[C@@H]1O 257318962 VQCCXVCVRSCKAB-YRGRVCCFSA-N 358.232 1.891 0 40 FDAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(Cc3cccs3)C[C@@H]2C[C@@]1(C)O 257228203 FSUJGYPYWSUDHD-DZOHQFGASA-N 352.500 1.957 0 40 FDAB CNc1cncc([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257280709 OMAHZTCARNXDCX-CQSZACIVSA-N 350.382 1.732 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257204021 ASRUEBABTIAKRH-SFHVURJKSA-N 359.430 1.114 0 40 FDAB O=C(c1cccc([C@H]2CCCN(C(=O)c3cnco3)C2)n1)N1CCOCC1 257321818 WDJAOJNVAJKYNA-AWEZNQCLSA-N 370.409 1.562 0 40 FDAB COc1ccc2cc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)[nH]c2c1 588703998 YWKFCVZXVCBWGT-SFHVURJKSA-N 370.453 1.731 0 40 FDAB Cc1nsc(C)c1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 618827567 FXGVUJHDCLFERZ-HOCLYGCPSA-N 363.487 1.637 0 40 FDAB Cn1ccnc1CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CC12CCNCC2 638189805 LIIMCMLHDPGJOX-CQSZACIVSA-N 362.865 1.441 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)CN1CC1CC1 575402706 AWUAOPJOQLRGNA-QGZVFWFLSA-N 357.454 1.046 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCO1 572244467 IOVHARSDEPMIDB-NSHDSACASA-N 353.318 1.266 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H](c2nccnc2Nc2ccccn2)C1 585292012 IFDKQECJBZACDK-FSNWXROXSA-N 366.469 2.439 0 40 FDAB CN(Cc1ccco1)C(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccnn1C)C2 685940421 KOTKOZSECWYXCQ-HNAYVOBHSA-N 358.442 1.510 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)/C=C/c3ccco3)CC2)C1=O 824411982 YTTQSDQDSSDSHO-SNAWJCMRSA-N 361.398 1.194 0 40 FDAB c1nc(C2CCC2)cc(N2CCCN(c3ccc4nncn4n3)CC2)n1 1565520874 WRGBNQHPQCBTQI-UHFFFAOYSA-N 350.430 1.899 0 40 FDAB COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C)c1cccc(C)c1 89488083 XEVLWCPKHREWNP-ZDUSSCGKSA-N 371.441 1.718 0 40 FDAB O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccn2c(O)nnc12 508832616 DJLVTZBVKHTQTG-LBPRGKRZSA-N 351.366 1.250 0 40 FDAB CC[C@@H]1CN(C(=O)c2ccc(C)cc2F)[C@H](CO)[C@@H]1CN1CCOCC1 1772594905 FTDXSOYKEFOWNI-SZVBFZGTSA-N 364.461 1.925 0 40 FDAB CCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 15339462 HZQPVRURVDUMPD-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C[C@@H]3CCOC3)C2)c2cccnc21 19021796 FHSZIBHPEQJNMR-JKSUJKDBSA-N 357.458 1.393 0 40 FDAB Cc1cc(NC(=O)CN2CCO[C@@](C)(C(=O)NC3CCCC3)C2)no1 19747058 XILSWYAPTOVIHJ-QGZVFWFLSA-N 350.419 1.071 0 40 FDAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3 19962255 OBZPYRYKKVKTFG-LLVKDONJSA-N 369.377 1.627 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 8105177 GUHDMUGZMJDVKC-QPEQYQDCSA-N 364.379 1.214 0 40 FDAB COc1cc(C(=O)OC[C@@H]2COC(=O)O2)ccc1OC[C@@H]1COC(=O)O1 627276242 POWPBPYJLQWUSG-GHMZBOCLSA-N 368.294 1.302 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCc2cc(C(=O)OC)c(C)o2)C1=O 5449300 CJELPZZJVZHADS-UHFFFAOYSA-N 366.370 1.528 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)/C=C/c1c(C)nn(C)c1C)c1ccccc1 5775629 IFWAJKQKEFJJHW-DVQDXYAYSA-N 370.409 1.790 0 40 FDAB CN([C@@H]1CCN(c2ncncc2F)C1)S(=O)(=O)Cc1ccccc1 1888869745 CXUPUXSZZFERAH-CQSZACIVSA-N 350.419 1.656 0 40 FDAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(S(=O)(=O)c2cnc[nH]2)C3)n1 1888888469 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HZUZVPSVSULHJV-UHFFFAOYSA-N 358.394 1.694 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N[C@@H](c1cccnc1)C1CCOCC1 225622320 ILQXNQKEXHFREM-GOSISDBHSA-N 357.410 1.687 0 40 FDAB Cn1ccc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1=O 2298041632 ADMULRPLXQDMPC-OAHLLOKOSA-N 353.413 1.855 0 40 FDAB O=C(NCCCO)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305657 FMYWOARJVXRTPZ-INIZCTEOSA-N 373.478 1.467 0 40 FDAB COc1cc(CCC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)on1 19550452 AQVCDOXBTXSTNX-MRXNPFEDSA-N 371.441 1.805 0 40 FDAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccs1 40030612 XAXUJBHXHIDVJT-OAHLLOKOSA-N 352.481 1.927 0 40 FDAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 31276302 UPFGPPVHFBDMFB-HNNXBMFYSA-N 369.421 1.764 0 40 FDAB CC(C)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 32768676 VOJRFVPMQOTHLL-XJKSGUPXSA-N 353.440 1.706 0 40 FDAB CCCN(C(=O)c1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 32967119 BUZQHVADJGTBCO-INIZCTEOSA-N 364.467 1.853 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3COc4ccccc4C3)ccc21 32927597 PIJPKQGWPHCJTK-GFCCVEGCSA-N 360.391 1.414 0 40 FDAB CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCOCC2)n1C 32922651 GEEDBZQGYCMIRW-UHFFFAOYSA-N 367.500 1.464 0 40 FDAB CNC(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 72312482 NWUJWDHGUDQQMK-UHFFFAOYSA-N 353.469 1.190 0 40 FDAB Cn1ncc(Br)c1/C=C1/N=C(S)N(C[C@H]2CCCO2)C1=O 2803740 PQIHIXPSDHKFKU-LLIKBPFYSA-N 371.260 1.831 0 40 FDAB CCOC(=O)COc1cccc(C(=O)NCc2cccc(C(=O)NC)c2)c1 55220645 UZNWTNKDSIZUSF-UHFFFAOYSA-N 370.405 1.918 0 40 FDAB Cc1ccc([C@@H]2N=C(NC[C@@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 104138196 CSKUUUAXGAGGTK-DOTOQJQBSA-N 353.426 1.957 0 40 FDAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(N)s1 9866784 XCNBHULIMSHWIW-UHFFFAOYSA-N 360.442 1.630 0 40 FDAB O=C(COc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 25131976 HQYJOWAXPSCAGY-UHFFFAOYSA-N 368.842 1.814 0 40 FDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1 1405176 LHNPGMUZQAKHRJ-JZJYNLBNSA-N 372.381 1.922 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCN(Cc4ccncc4)CC3)nn12 57354986 OVCXCHPEQJNDNO-UHFFFAOYSA-N 363.347 1.860 0 40 FDAB Cc1cnc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cn1 57453670 LUUCSLBXRPYNER-LBPRGKRZSA-N 355.316 1.974 0 40 FDAB Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 56277100 JKHBQJVUUIJXDY-OAHLLOKOSA-N 354.472 1.470 0 40 FDAB NC(=O)CN1CCCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 58161838 JUWFOBPKSSGDKT-UHFFFAOYSA-N 372.238 1.150 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCCN(c2nccs2)CC1 58162550 BOLURCOYUXKPOI-UHFFFAOYSA-N 359.455 1.393 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)o1 58180342 QNYFNUJVVRKMGF-LJQANCHMSA-N 353.378 1.944 0 40 FDAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58190631 SEGSLFZDLODQBS-UHFFFAOYSA-N 350.444 1.442 0 40 FDAB C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 58208826 WIMXBSFNFNMICQ-UONOGXRCSA-N 370.409 1.389 0 40 FDAB O=C(Cn1nnc(-c2cc(F)ccc2Br)n1)N1CCOCC1 58226392 SSCIFSBMFUEREY-UHFFFAOYSA-N 370.182 1.101 0 40 FDAB CCOC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CCCCC1 58410727 TVORQHPHGDTTSA-CQSZACIVSA-N 374.503 1.430 0 40 FDAB COc1ccc(OCCOC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 10794691 NHRCDXRQIHCOCF-UHFFFAOYSA-N 351.380 1.578 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccncc3)C3CC3)ccc21 48332337 OAQWWITYNYUPHX-UHFFFAOYSA-N 359.407 1.880 0 40 FDAB O=C1CN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CCN1 12899713 AQVCZRAVLNZIJV-UHFFFAOYSA-N 351.815 1.948 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1cccc(F)c1 3448222 AFIFHWDWCAZCHI-UHFFFAOYSA-N 352.343 1.547 0 40 FDAB CCn1c(C)c(C)c2cc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)ccc21 27981952 DOINKWNCSPVWDJ-UHFFFAOYSA-N 354.410 1.928 0 40 FDAB Cc1[nH]c(C(=O)NCC(=O)NCc2ccco2)c(C)c1C(=O)OC(C)C 24181094 VBHIWXIYZFCSIS-UHFFFAOYSA-N 361.398 1.836 0 40 FDAB CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 13097232 JHUNSRLITYRJGJ-UHFFFAOYSA-N 362.407 1.644 0 40 FDAB COc1ccc(OC)c2c1CN(Cc1nnnn1-c1ccccc1)C[C@H]2O 26158403 VKHZVWQYRLITOZ-OAHLLOKOSA-N 367.409 1.729 0 40 FDAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1ccc(C(N)=O)cc1 5278803 GJTZETCIFZRKFE-GFCCVEGCSA-N 371.393 1.374 0 40 FDAB CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc2c(c1)OCCO2 8942349 ZSMGPFHIEXMMFE-UHFFFAOYSA-N 361.320 1.278 0 40 FDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1 65553774 POHZBLBFTFBFAO-NOZJJQNGSA-N 364.439 1.943 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2CC(N)=O)c1 14196873 YEABISSZHCOQNW-UHFFFAOYSA-N 361.471 1.746 0 40 FDAB Cc1sc2ncnc(N3CCN(C(=O)N4CCOCC4)CC3)c2c1C 14140779 RNLLTMJPGIEZKC-UHFFFAOYSA-N 361.471 1.882 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccn1 14713313 BLADVJDHYPOCHL-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)NCCCN1CCCC1=O 6759453 ZBNLKCQQOVGFCG-UHFFFAOYSA-N 365.817 1.767 0 40 FDAB CCOC(=O)C1=C(N)OC2=C(C(=O)O[C@@H](C)C2)[C@]12C(=O)Nc1ccccc12 4862924 KYKFYHXAKITAHY-UGZDLDLSSA-N 370.361 1.230 0 40 FDAB Cc1ccc(-c2nnc(SCC(=O)N3CCC(C(N)=O)CC3)o2)cc1 5865094 JAYQFLYVUURKIH-UHFFFAOYSA-N 360.439 1.861 0 40 FDAB CCOC(=O)c1cnc2ccc(C(=O)O)cc2c1N1CCN(CCO)CC1 19793899 DTLOUPCKQDVGLG-UHFFFAOYSA-N 373.409 1.224 0 40 FDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc2O1 7307243 SMCCMTKOENMOGN-AWEZNQCLSA-N 352.799 1.782 0 40 FDAB CCn1c(SCC(=O)N2CCN(c3ncccn3)CC2)nnc1C1CC1 7533894 JSJCARKGVIELBI-UHFFFAOYSA-N 373.486 1.406 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1N1CCOCC1)CS2 15940787 GUEIKJJLAYENJI-MAUKXSAKSA-N 361.467 1.916 0 40 FDAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(c2ccccn2)CC1 7856039 YEFUBRZBKVNBJY-SFHVURJKSA-N 353.470 1.906 0 40 FDAB O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCN(c2ccccn2)CC1 69038255 QWRIIMUQBNKNAK-UHFFFAOYSA-N 369.450 1.778 0 40 FDAB CC(C)(C)n1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 16971563 IVWPESBBLNYUHS-OAHLLOKOSA-N 354.410 1.714 0 40 FDAB biogenic CCS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2)(c2ccccc2)CC1 97251421 LGWSLAGZQSXOCH-UHFFFAOYSA-N 362.455 1.732 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21 95346288 BZGGSHSPLILOHI-INIZCTEOSA-N 352.394 1.310 0 40 FDAB CNC(=O)C1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 73648129 UHRDQQCNOOMRHL-LPHOPBHVSA-N 372.513 1.224 0 40 FDAB CN(C)CCNC(=O)c1nc(-c2ccn(CCN(C)C)c2)n2ccccc12 306127371 FWWNXMMAOYFZOZ-UHFFFAOYSA-N 368.485 1.656 0 40 FDAB O=C(COc1ccccc1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 75476506 YIIUUBLZSOEBOJ-INIZCTEOSA-N 360.435 1.676 0 40 FDAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 118913289 AODPIQQILQLWGS-KJMZVMDWSA-N 366.498 1.653 0 40 FDAB in-vitro Cc1nc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cs1 306127182 FRBQDJOBGNXIDT-XNRPHZJLSA-N 359.455 1.118 0 40 FDAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc12 32088595 WSEGUKZPSSBIPL-LBPRGKRZSA-N 356.382 1.450 0 40 FDAB Cc1nc2ccc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)cn2n1 529233738 UERZMAGKKQJDCW-UHFFFAOYSA-N 365.393 1.762 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(CCc2ccccn2)CC1 79475532 YVVRTAJSPQNSKO-UHFFFAOYSA-N 363.425 1.058 0 40 FDAB CCOC(=O)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 31700934 WAAGVOOPCYOKPK-UHFFFAOYSA-N 369.421 1.986 0 40 FDAB O=C(NC[C@@H](O)c1ccccc1)c1c(-n2cnnn2)sc2c1CCC2 36354179 ZABCYEKFSJNSCM-CYBMUJFWSA-N 355.423 1.676 0 40 FDAB Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N2CCOCC2)n1 72243727 GCBZHQGNOGJWOA-UHFFFAOYSA-N 370.335 1.633 0 40 FDAB COc1cccc(C(=O)NCc2nccc(N3CCOCC3)n2)c1OC 224168482 NGQIYJVWXWDJLD-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB CCNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc1 223389137 DDKKTAZEDMVEKF-UHFFFAOYSA-N 368.846 1.700 0 40 FDAB CC(C)NC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223380741 SFQKFVUPLFIHRJ-MRXNPFEDSA-N 356.426 1.300 0 40 FDAB CC(=O)N1CCc2ccc(S(=O)(=O)NCC3(O)CCCC3)cc2C1 40663576 TZLKQARUXVWIBM-UHFFFAOYSA-N 352.456 1.175 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 223301854 JVXNWQIVOKFXBD-UHFFFAOYSA-N 362.451 1.675 0 40 FDAB C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)c1nncn1C 333234413 HIKRDNVTVZCWHG-WCVJEAGWSA-N 369.473 1.663 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nccs3)C2=O)cc1 96114393 JSUOCLGLWBRPMV-ZDUSSCGKSA-N 374.422 1.643 0 40 FDAB biogenic COc1cc(N2CC[C@H]3OCCC[C@]3(COCCN(C)C)C2)ncn1 96039523 RHYDGXPNESVTGM-CRAIPNDOSA-N 350.463 1.439 0 40 FDAB CCN(CC)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cc(C)on3)C2)O1 96160243 CPIWFSLLUZZWPG-CRAIPNDOSA-N 351.447 1.715 0 40 FDAB COC[C@H]1CCC2(CCN(Cc3cc(C)on3)CC2)N1S(C)(=O)=O 96206410 QRKAVJAXAWNJOB-OAHLLOKOSA-N 357.476 1.388 0 40 FDAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2 248007293 CORIBVOSPFKQNG-CQSZACIVSA-N 360.483 1.893 0 40 FDAB Cc1nc(O)cc([C@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 257215278 CPLNOLRIMSKOKL-OAHLLOKOSA-N 359.430 1.801 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2coc(C)n2)CCN1CCc1ccccc1 257270038 MSNPYPIKEQLHDL-QGZVFWFLSA-N 356.426 1.098 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3ccc(OC)cc3)CC2)C1 597661036 HYKKGVWYXUXCAX-CQSZACIVSA-N 366.483 1.862 0 40 FDAB COc1cccc2c1CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1)C2 624080987 DRRNMMRXHZWLLQ-QGPMSJSTSA-N 359.426 1.547 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](OC2CCC2)C1 654557242 QHWHDJPPUIWPFW-NUEKZKHPSA-N 373.519 1.447 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 1148642084 FNMMHWVVCGNVOH-UHFFFAOYSA-N 353.382 1.034 0 40 FDAB CCc1cc(C)nc(NC[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2)n1 664115684 LXGMLRKEJNFRAI-KBXCAEBGSA-N 372.473 1.729 0 40 FDAB Cc1cccc([C@H](C)C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 606845225 VGLMYVRDCQWQHI-WMZOPIPTSA-N 359.470 1.148 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@@H](C)C2 585098526 UPARZMPLZNHWFO-ZDUSSCGKSA-N 350.444 1.368 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 585292644 PZGCQRQWIRHFGF-YVARQFDVSA-N 372.498 2.501 0 40 FDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)Cc1cccc(F)c1)CCC2 585110814 KHZUSSGPEWXZQC-UHFFFAOYSA-N 356.401 1.889 0 40 FDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ccccc21 72325944 UVEOHLBZNUEODC-LJQANCHMSA-N 356.426 1.173 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)NC1CCN(c2ncccn2)CC1 56058947 CUBYRGXJASGTLM-UHFFFAOYSA-N 353.492 1.544 0 40 FDAB O=C(NC[C@H]1CCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007743 CFFASJGYQGCLNX-GFCCVEGCSA-N 372.347 1.638 0 40 FDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5197304 CSKPRMWFVVPYDF-SNVBAGLBSA-N 367.383 1.123 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 5543764 GOQAODGEMIJTDA-DDUZABMNSA-N 362.382 1.448 0 40 FDAB Cc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3sccc3n12 12087405 FVMAWXGVTDUDSO-UHFFFAOYSA-N 370.438 1.422 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)cc1 12114361 MUJFRNGHZNHEJI-UHFFFAOYSA-N 368.437 1.962 0 40 FDAB COC(=O)c1ccc(NC(=O)Cc2csc(NS(C)(=O)=O)n2)cc1 13729888 XDALMJLLXAMPRV-UHFFFAOYSA-N 369.424 1.482 0 40 FDAB CN1CC[C@@]23C(=O)C[C@H]4C(=CCO[C@@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@@H]54)C1 5082639 RNZRHJNFQWMXHB-JJGFMWEGSA-N 364.445 1.909 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500807 DNSNXLOPBIXZMA-NRTGNBEESA-N 360.410 1.282 0 40 FDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19502008 YEZNKYFKDZHBMC-XMDUPGNXSA-N 360.410 1.370 0 40 FDAB Cc1ccc(F)cc1S(=O)(=O)NCc1ccnc(N2CCOCC2)n1 206727158 AZLKGQNMCPMTGR-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB COCCn1c(SCC(=O)N2CCCC2)nc2c(c1=O)S[C@H](C)C2 4107983 YGLIYIVMTWJMKW-LLVKDONJSA-N 369.512 1.641 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)o1)CC2 654887566 KTDILXGQGIKSNR-VIFPVBQESA-N 374.319 1.703 0 40 FDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2ccncc2)CC1 575413824 QXOIQOKIVUWMEX-HNNXBMFYSA-N 373.453 1.479 0 40 FDAB O=C1[C@H](N2CCN(c3cc(C4CCOCC4)ncn3)CC2)CCN1C1CC1 1888843545 RYCOPJOKSUDDIJ-GOSISDBHSA-N 371.485 1.256 0 40 FDAB CSc1ncc(C)c(N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 1888888215 XPDKWTHBNQMGDH-UHFFFAOYSA-N 356.459 1.580 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5F)C[C@H]4C3)ncnc21 1888909508 KUDDHMSSINMCSS-BETUJISGSA-N 366.400 1.711 0 40 FDAB O=C([C@H]1CN(c2ccc3cc(Cl)ccc3n2)CCO1)N1CCOCC1 1889139075 RHRLIHRWRRYVEN-MRXNPFEDSA-N 361.829 1.952 0 40 FDAB O=S(=O)(C1CC1)N1CCCN(Cc2nnc(C(F)(F)F)o2)CC1 1889139461 CBCUUJKULJULOG-UHFFFAOYSA-N 354.354 1.088 0 40 FDAB NC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncnc3[nH]cnc23)C1 2037844570 XLRYMFATLBNWBE-GOSISDBHSA-N 366.429 1.238 0 40 FDAB COCCN1C(=O)CCC[C@H]2CN(C3CCN(C(C)=O)CC3)CC[C@H]21 2037849767 GOPJORPDOCWHKI-FUHWJXTLSA-N 351.491 1.347 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cnn4ccccc34)CC[C@H]21 1565543988 VFFDHBNERDBSPQ-RTBURBONSA-N 371.485 1.201 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)c2cc(F)ccc21 1565543390 MAABNTHSDAIOKC-UHFFFAOYSA-N 373.432 1.595 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 13700333 JUPJUENXJDCUPV-UHFFFAOYSA-N 356.817 1.669 0 40 FDAB Cn1cc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cn1 2055745621 OKLRSYKIYSQSLB-UHFFFAOYSA-N 374.470 1.242 0 40 FDAB CN(C)S(=O)(=O)NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1 2055815407 JAJMLGFODFJHTC-UHFFFAOYSA-N 365.499 1.886 0 40 FDAB Cc1cccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c1C 22608948 IPFYRIDMTLYVGW-KRWDZBQOSA-N 363.458 1.397 0 40 FDAB Cn1cnc(S(=O)(=O)NCCNC(=O)/C=C/c2ccccc2Cl)c1 206632782 AUWCILLFRXPXHO-VOTSOKGWSA-N 368.846 1.181 0 40 FDAB COCCn1cc(C(=O)NCc2ccccc2OC)c2n[nH]c(=O)c-2c1 38670595 RDRKWKRZLBZYJT-UHFFFAOYSA-N 356.382 1.261 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2cc(N3CCCC3)ncn2)n1 225535424 OBCVYEQWMBBBJO-UHFFFAOYSA-N 361.427 1.891 0 40 FDAB CC(C)OCCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12220261 DAMZHSLOSUTSPZ-HNAYVOBHSA-N 365.474 1.632 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC 2097894 BBBLNHXITNZBEV-OEUWWYETSA-N 361.442 1.565 0 40 FDAB biogenic Cc1nc(CN2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cs1 40091466 CQGZJFLIPWNJNO-UHFFFAOYSA-N 368.466 1.990 0 40 FDAB O=C1O[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)Cc2ccccc21 40162062 KHYBJHCZYNTHNE-ZDUSSCGKSA-N 357.366 1.054 0 40 FDAB COc1cc(CCNC(=O)c2ccn(C)c(=O)c2)ccc1OC(F)F 30560943 GOLBTMLFPQPETF-UHFFFAOYSA-N 352.337 1.968 0 40 FDAB CC(C)COc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C 20851360 ZZTSYBWELMNMSB-CYBMUJFWSA-N 357.410 1.593 0 40 FDAB C[C@@]1(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCS(=O)(=O)C1 32747519 CVWTXUNGCRTMFR-OAHLLOKOSA-N 372.830 1.331 0 40 FDAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccc(O)cc3OC(=O)[C@H]12 11990728 XLLALKBLIJIEGD-OYNCUSHFSA-N 351.361 1.368 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)NC(=S)N[C@]1(O)C(F)(F)F 946526 GDGFRDSVSUXHNL-UHIISALHSA-N 362.373 1.944 0 40 FDAB O=C(NCCN1C(=O)CCC1=O)c1ccc(I)cc1 79103384 YWVBEYJLRNLJBJ-UHFFFAOYSA-N 372.162 1.170 0 40 FDAB O=C(Cn1ccc2c(nnc3ccnn32)c1=O)NC1CCCCCCC1 79494962 CODFRLUZCVDZKE-UHFFFAOYSA-N 354.414 1.668 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCn2ncc(=O)c3ccccc32)C1 53024996 DCRGIINCDBHIBE-GJZGRUSLSA-N 371.437 1.834 0 40 FDAB C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 6086193 YGOLZAJTHPNOII-AWEZNQCLSA-N 361.467 1.171 0 40 FDAB Cc1ccc(CCNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 6822965 CPFGSXLDCHKDBZ-UHFFFAOYSA-N 363.464 1.894 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 7735415 HMGZCUIYYUHAIJ-LBPRGKRZSA-N 350.440 1.820 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1nc(C)no1 104297666 ABNXWMHYNSEHJP-AWEZNQCLSA-N 358.398 1.698 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)c1ccc(Br)c(F)c1 61597330 KZGIFUQOPPKSFE-UHFFFAOYSA-N 365.224 1.354 0 40 FDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24915001 CXJRAMGFYCOJTJ-ZDUSSCGKSA-N 369.377 1.488 0 40 FDAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O 101129028 XINSSIWZHNUWKI-BBWFWOEESA-N 353.378 1.575 0 40 FDAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12521109 DWEDBYWPXKSIDQ-UHFFFAOYSA-N 368.392 1.666 0 40 FDAB CN(C)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccsc1 25813396 ADWOHNHCBVCNML-LBPRGKRZSA-N 350.469 1.443 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C[C@@H]1CCOC1)C1CC1 48273280 URSIBLMFLKMZGR-STQMWFEESA-N 370.446 1.520 0 40 FDAB O=C(O[C@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3314444 HFUYSOLNRXRZRA-INIZCTEOSA-N 367.423 1.376 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)CCNc2ccccc2)CC1 58231815 SNNWXODDSFTJHN-UHFFFAOYSA-N 353.488 1.809 0 40 FDAB COc1ccccc1CC(=O)N1CCC(NC(=O)C[C@H]2CCCO2)CC1 58216032 YTTKIHSBDNLKHW-QGZVFWFLSA-N 360.454 1.914 0 40 FDAB COCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21897650 AXBKASOHKUCNKC-UHFFFAOYSA-N 354.453 1.603 0 40 FDAB COc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)cc(OC)c1 36383831 AEPWOKZYRHIWJM-CYBMUJFWSA-N 361.442 1.585 0 40 FDAB CCn1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)nc1C 95453665 GBYUWSRKWGRELK-SECBINFHSA-N 350.400 1.732 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 29185926 JVXQIYHYJVRYDN-GOSISDBHSA-N 373.478 1.724 0 40 FDAB CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 48328944 DKIHBDDFYMSLAW-CQSZACIVSA-N 351.451 1.009 0 40 FDAB CC[C@H](C(=O)Nc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 12893693 XMIYUQHFEQWSPT-GOSISDBHSA-N 359.470 1.975 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nnc(-c3ccccc3)o2)c1 12808117 AZDSIVUTEQUQME-UHFFFAOYSA-N 360.395 1.197 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)s1 24778780 DOTGZJHYUADTOT-UHFFFAOYSA-N 369.454 1.698 0 40 FDAB COCCN1CC[C@@]2(c3ccccc3)CCN(C(=O)COC)[C@H]2CC1=O 306142709 XGZAGZILHHUFGW-PXNSSMCTSA-N 360.454 1.441 0 40 FDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 84686779 CNGZWVPUZVDRLN-SWLSCSKDSA-N 364.467 1.532 0 40 FDAB CC(C)c1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495852 WORGQYIXCCYVSS-CQSZACIVSA-N 367.405 1.576 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nnc2ccccc2c1=O 5307770 VHBKSGMAVCIVLZ-NSHDSACASA-N 352.350 1.762 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccco1 6472849 AJBCSNVAOCOPNN-UHFFFAOYSA-N 352.368 1.258 0 40 FDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccccc1 14117696 UWVBNLGOLPRGRX-VLIAUNLRSA-N 368.389 1.656 0 40 FDAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4553260 SNGVOOMKKRYOHX-UHFFFAOYSA-N 354.472 1.630 0 40 FDAB Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 27938613 FMWYMGRFOXETNI-UHFFFAOYSA-N 363.424 1.930 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)C[C@@H](C)O1 14360145 MLRKLHLAKZTNDK-IJEWVQPXSA-N 359.426 1.175 0 40 FDAB CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCOCC3)c2C(=O)O)CO1 6757793 IPCRCSVQROKZNM-UHFFFAOYSA-N 368.411 1.095 0 40 FDAB O=C(NC1CCOCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 67208486 UZUPTOXIBNOWGT-IAGOWNOFSA-N 369.421 1.556 0 40 FDAB CCCCN(C(=O)c1ccc(OC)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 7814334 LJMGXNPGUNYQLB-UHFFFAOYSA-N 374.441 1.984 0 40 FDAB Cc1ccsc1-c1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)[nH]n1 69565506 KNXYXUCOEGWKEX-UHFFFAOYSA-N 369.410 1.529 0 40 FDAB Cc1n[nH]cc1CN1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95999786 XSGKDLILZFQOLC-CQSZACIVSA-N 359.396 1.389 0 40 FDAB CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C)c1noc(C)n1 75091888 KSLCKFLFGYOQSF-LBPRGKRZSA-N 350.404 1.398 0 40 FDAB CC1CCC(N(C)C(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 24243408 NDBZBAORINZUPK-UPTPFMHGSA-N 364.534 1.308 0 40 FDAB Cc1cnc(C(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cn1 32908593 TUNDKHPQUYPWAU-UHFFFAOYSA-N 370.438 1.855 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306132613 LNTWKNPNAGVIEZ-NUEKZKHPSA-N 360.439 1.224 0 40 FDAB CCn1ccnc1CN(C(=O)c1cccc(=O)n1C)[C@@H]1CC12CCNCC2 518980920 WELWVUOBLRIWQA-MRXNPFEDSA-N 369.469 1.386 0 40 FDAB COc1ccc(Cl)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCC(C)C 409003058 RCEHIKMWLQWMCY-GFCCVEGCSA-N 371.821 1.913 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)C[C@@H](c2ccsc2)n2cccc2)CC1 524732958 FYMXEDKOORPPII-HNNXBMFYSA-N 367.496 1.633 0 40 FDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 77264324 OFEOTWMEVMOHRN-QRVBRYPASA-N 356.422 1.343 0 40 FDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1OC 70639710 LHVSLMMNWTWGKC-KRWDZBQOSA-N 351.424 1.890 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)cc1 32104860 KCXCGOVRKVGNJZ-CYBMUJFWSA-N 352.398 1.988 0 40 FDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 223291267 CBNKRCQPPBADTG-NYYWCZLTSA-N 359.407 1.346 0 40 FDAB COc1ccc(N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 223021109 TWUAHSKIPRVSBJ-UHFFFAOYSA-N 370.452 1.892 0 40 FDAB O=C1CC[C@@H](N2CCN(c3ccnc(N4CCCCC4)n3)CC2)CCN1 583481372 MRSFYLVCGKOPRY-MRXNPFEDSA-N 358.490 1.258 0 40 FDAB Cc1nn(C)c2nccc(N3CCN(C(=O)c4cnn(C)c4)[C@@H](C)C3)c12 576142654 WXTIJLLOJPSKLV-LBPRGKRZSA-N 353.430 1.361 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccccn3)CC2)CN1Cc1ccccn1 96049220 FSRRYEFMUTXNLL-UHFFFAOYSA-N 366.421 1.510 0 40 FDAB O=C(NCCc1cccs1)[C@]12COC[C@H]1CN(Cc1ccncc1)C2 96110088 NYLBWHZNIPYEIF-VQIMIIECSA-N 357.479 1.950 0 40 FDAB CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 96215105 CICWIMISCKWFMX-SJORKVTESA-N 353.488 1.392 0 40 FDAB O=C(c1ccccn1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96062446 UGLUHJXJSGAEPI-SFHVURJKSA-N 358.467 1.903 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4cnccn4)CCO3)C2)no1 96209815 MSCOOPOGXPIWRF-KBXCAEBGSA-N 357.414 1.327 0 40 FDAB Cc1cccc(OCC(=O)OCCNC2=NS(=O)(=O)c3ccccc32)c1 95481970 WATYSQFZRFDDNT-UHFFFAOYSA-N 374.418 1.656 0 40 FDAB CC(C)c1ccccc1S(=O)(=O)NCCCCn1cc(C(=O)O)nn1 584278967 WXTPXMYZRUMXQA-UHFFFAOYSA-N 366.443 1.858 0 40 FDAB COc1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC(=O)N(C)C)cc1 247977618 IWMIJAASRUPBLJ-KRWDZBQOSA-N 362.470 1.781 0 40 FDAB O=C(O)c1ccc(=O)n(-c2ccc(OC[C@H](O)Cn3ccnc3)cc2)c1 257238644 HLXKDTDTOHOHLO-OAHLLOKOSA-N 355.350 1.172 0 40 FDAB CCc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)no1 257338348 YWYYRZDEPWYODO-SNVBAGLBSA-N 352.416 1.383 0 40 FDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 262437377 PFKRSESHBCDJMC-VIFPVBQESA-N 368.333 1.508 0 40 FDAB CCC[C@@H](C)N1C[C@@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775959366 XLPDFQMGDFHKNT-UQOMUDLDSA-N 364.446 1.704 0 40 FDAB Cc1c(O)nc2ccccc2c1C(=O)N1CCN(c2nc(N)ns2)CC1 1635331664 RCMXIHRFVNOQPG-UHFFFAOYSA-N 370.438 1.645 0 40 FDAB COc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 43741224 SYUDRJAFDXATKU-IXDOHACOSA-N 370.449 1.716 0 40 FDAB biogenic NC(=O)C[C@]1(O)CCCN(Cc2ccc(OCc3ccncc3)cc2)C1 643745534 JPLPCYGUKSRJDY-HXUWFJFHSA-N 355.438 1.863 0 40 FDAB CN1CCC(N2CC[C@H](N(C)C(=O)[C@@]3(C(=O)O)C[C@H]4CC[C@H]3C4)C2)CC1 663135178 MQIRLNPSBYGHIG-MZRZTIOWSA-N 363.502 1.504 0 40 FDAB Cc1ccc(CC(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)nc1 585275992 CSDOLVUZUQBNTP-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(Cc3cnn(C)c3)CC2)C1 585103974 UXFISXRBXNPHKT-LJQANCHMSA-N 360.502 1.907 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCOC[C@H]3c3cccn3C)[nH]2)CC1 685942760 VEUWCDUSETUMDF-KRWDZBQOSA-N 357.458 1.771 0 40 FDAB CC1=NN(c2ccc(C(=O)N[C@H]3COC[C@H]3Oc3cn[nH]c3)cc2)CC1 685941432 BQVUIVFXGGJKCU-DLBZAZTESA-N 355.398 1.572 0 40 FDAB COc1ccc(Br)c(C(=O)N2CCN(C[C@H](C)O)CC2)c1 85436805 LYCAHGMWCXBROZ-NSHDSACASA-N 357.248 1.596 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)cc2C)n(C)c1 40111588 CUOFYHPUIVMNAM-UHFFFAOYSA-N 350.444 1.560 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(C)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11859282 NYBXAAGEGZOEGZ-GYSYKLTISA-N 362.373 1.944 0 40 FDAB CCc1cnc2c(c1NCc1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 12227028 GBULLWWPXSWZMV-UHFFFAOYSA-N 354.410 1.815 0 40 FDAB O=C(c1cccc(F)c1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19293587 NZOOQGPFALXJAY-ZDUSSCGKSA-N 355.329 1.879 0 40 FDAB Cc1noc(C)c1C(=O)N1CCCC[C@H]1CCNS(=O)(=O)N(C)C 19749027 UXNXCFOXRLLYHC-ZDUSSCGKSA-N 358.464 1.072 0 40 FDAB Cc1cccc(C)c1N1C(=O)C[C@@H](SC(C)(C)[C@H](N)C(=O)O)C1=O 19866778 PGNBRVSLALBTIU-BXUZGUMPSA-N 350.440 1.859 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3nccn3C)c(Cl)cc21 12147683 XCKNQBMGBWLWNL-UHFFFAOYSA-N 370.818 1.480 0 40 FDAB CO[C@@H]1CCN(c2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)C1 252509072 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CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(Cc2ccc(F)cc2)nn1 1888914091 BOOHFHCPLLBPOK-HNNXBMFYSA-N 359.361 1.657 0 40 FDAB Cc1ncc(CO)c2cc(C3=NS(=O)(=O)c4ccccc4N3)c(=O)oc12 15828880 KZYKJKHOCLTVOZ-UHFFFAOYSA-N 371.374 1.550 0 40 FDAB CC(=O)N1CCC(N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)CC1 2037846569 RGPOAFIXZQCNCB-OALUTQOASA-N 357.454 1.109 0 40 FDAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccoc1 1614927273 FZEOEGXBYBWHCA-INIZCTEOSA-N 352.362 1.133 0 40 FDAB O=C([C@H]1CN(c2ccn3nccc3n2)CCO1)N1CCC(F)(F)CC1 2086939637 UZGOCATWOXHJQG-GFCCVEGCSA-N 351.357 1.192 0 40 FDAB CCc1cnc(N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@H]3C2)nc1 2087043859 TZNNIXPPMNZLNK-GJZGRUSLSA-N 364.457 1.771 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3c4nc(N5CCCC5)ncc4C[C@H]3C2)c1=O 1565556028 UXDJFIDQROZWGF-GOEBONIOSA-N 365.437 1.187 0 40 FDAB Cc1csc(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)c1 1565556709 YZZVYBQCXHJAEU-GOSISDBHSA-N 374.466 1.595 0 40 FDAB Cc1ncnc(C(=O)N2CCn3c(nc(CN(C)C(C)C)cc3=O)C2)c1C 1565555523 JOWRVQRQKTVQCC-UHFFFAOYSA-N 370.457 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CCOC(=O)[C@H](CO)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 611288612 DVPJFUVXKFYDBC-KRWDZBQOSA-N 367.405 1.988 0 40 FDAB O=C(Cc1cccs1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 239593142 DQZJRLAMGUXPLQ-UHFFFAOYSA-N 358.467 1.808 0 40 FDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 15420795 OLHPYAIGFWDZET-GASCZTMLSA-N 366.483 1.826 0 40 FDAB C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 253388377 QMWJARHMJRTJMQ-UWGFNJSNSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1 583615051 JGRWOFIRVNJWJY-BXUZGUMPSA-N 358.364 1.819 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 1888914092 BOOHFHCPLLBPOK-OAHLLOKOSA-N 359.361 1.657 0 40 FDAB O=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)C2CC2)CC1 1848725138 CDXCMZSMDZHTLF-UHFFFAOYSA-N 365.430 1.740 0 40 FDAB COCC(=O)N1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 2037972617 IMMIQSWNTQAHCB-DLBZAZTESA-N 369.433 1.518 0 40 FDAB COc1ccc(Br)c(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 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361.354 1.892 0 40 FDAB Cc1cccc(C)c1NC(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 100258663 FYWRIRVUHRNBKS-UHFFFAOYSA-N 373.438 1.308 0 40 FDAB C[C@@H]1Oc2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2NC1=O 12417053 CCICZPGCXMHHPA-NSHDSACASA-N 360.391 1.994 0 40 FDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(C(=O)c2cccs2)CC1 24668978 YFHMNEVSOBRZRT-KFWWJZLASA-N 365.499 1.530 0 40 FDAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c1 110146578 YKSMWSVLWDFIGC-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB O=S(=O)(c1ccc(O)c(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F 12505269 YLVSVWPYINMRPI-UHFFFAOYSA-N 358.237 1.979 0 40 FDAB CCc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(-c2ccc(F)cc2)n1 57508565 MXTBFWBVEAXGHH-INIZCTEOSA-N 359.401 1.907 0 40 FDAB O=c1[nH]c2cc(NS(=O)(=O)c3ccccc3)c(N3CCOCC3)cc2[nH]1 105935890 DMKAWXCHEWAIBV-UHFFFAOYSA-N 374.422 1.494 0 40 FDAB O=[N+]([O-])OC12C[C@@H]3C[C@@H](C1)CC(c1no[n+]([O-])c1Br)(C3)C2 100735612 NRDWTHHQSWDPLI-JWWSKVQJSA-N 360.164 1.869 0 40 FDAB Cc1ccnc2nc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)nn12 12627583 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355.354 1.491 0 40 FDAB Cc1nnc(SCC(=O)Nc2nnc(SCC(N)=O)s2)s1 13495544 AOBVEKHRPKNFPH-UHFFFAOYSA-N 362.487 1.006 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCOc1ccccc1 4317950 UBCXMEIPTMLMJD-UHFFFAOYSA-N 369.425 1.493 0 40 FDAB Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cn1 14192125 PWGHAXFXHMPHAH-UHFFFAOYSA-N 352.236 1.957 0 40 FDAB Cc1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 4516962 QSAAOXJDBLMKSL-UHFFFAOYSA-N 359.411 1.907 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 14230589 JFAGQQFQBLAKCW-UHFFFAOYSA-N 373.409 1.975 0 40 FDAB COc1cc([C@H]2N=C(N)Nc3nc4ccccc4n32)ccc1OCC(=O)O 5800006 ZFMOTJKSLWNEAE-INIZCTEOSA-N 367.365 1.795 0 40 FDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 6908993 BPBCIKKPDWYTNU-NTCAYCPXSA-N 353.382 1.407 0 40 FDAB CCN1CCN(c2nc(COC)c(CCc3ccccc3)c(=O)[nH]2)CC1 22448745 OORYAEYEWLJENZ-UHFFFAOYSA-N 356.470 1.843 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1 7212930 WVSHESZDEHFVJU-QGZVFWFLSA-N 361.419 1.984 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccccc1F 7279210 BFAYILXSKQBWFA-HXUWFJFHSA-N 367.380 1.835 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2O1 7252866 VEQWFQQGYZALNP-INIZCTEOSA-N 361.348 1.917 0 40 FDAB CC(C)C[C@H](C(=O)O[C@H]1C[C@@H](C)OC1=O)N1C(=O)c2ccccc2C1=O 7392072 RVQACONCRXICFQ-DFBGVHRSSA-N 359.378 1.945 0 40 FDAB CC(C)NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 22906691 BMSACRFGFNOQNZ-LJQANCHMSA-N 366.465 1.822 0 40 FDAB Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(C)CC2)c1 19823553 WTVPCCLLGFCPIO-GOSISDBHSA-N 371.412 1.494 0 40 FDAB CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218611585 NQOYUQOQQJGVHR-MPGHIAIKSA-N 368.499 1.982 0 40 FDAB O=C1COc2ccc(C(=O)Cn3cnc4cc(F)ccc4c3=O)cc2N1 16698894 QLMPHAULFOLQAH-UHFFFAOYSA-N 353.309 1.749 0 40 FDAB Cc1ccc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(O)c1 16808218 WJFVEAVFMQTDOD-UHFFFAOYSA-N 374.368 1.905 0 40 FDAB COc1cccc(C(=O)NCC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 69211446 KKIHHJHQXREVQJ-KRWDZBQOSA-N 367.405 1.347 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c1C 8326067 BBYWHDHDQQEHKM-LLVKDONJSA-N 367.402 1.588 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1C 69604103 LSQPBAVFSFKRLR-CQSZACIVSA-N 373.496 1.550 0 40 FDAB C[C@H](OC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)NC(=O)NC1CC1 8774543 PIOCNDPXQDVRNF-VIFPVBQESA-N 360.345 1.749 0 40 FDAB CCOCCCNc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 9691430 VOJIXKBMSPOYET-VIFPVBQESA-N 361.493 1.688 0 40 FDAB CCC[C@H]1CN(CC(=O)NCC(C)C)CCN1CC(=O)NCC(C)C 84740843 JNXWPHDZEUUPPQ-KRWDZBQOSA-N 354.539 1.317 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 95959129 NVXUXZQTZVEOSP-UKRRQHHQSA-N 352.456 1.483 0 40 FDAB COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]nnc12 33940854 ZYRINAZRTBCAEE-CYBMUJFWSA-N 358.398 1.375 0 40 FDAB in-man Cc1noc(C)c1C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 72369566 RZDYDBDYRGSMHT-NSHDSACASA-N 352.416 1.438 0 40 FDAB CSc1ccnc(N2C[C@@H]3CCN(C(=O)Cc4cncs4)[C@@H]3C2)n1 1040740626 OVCLUFNPHGQFRJ-WCQYABFASA-N 361.496 1.935 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2ccc(=O)c3cc(C)ccc32)CC1 225746691 ACMZWJNWIPYMRA-UHFFFAOYSA-N 357.410 1.611 0 40 FDAB Cc1cc(C(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)no1 75165293 MBJFSTSEUVFNNA-UHFFFAOYSA-N 353.382 1.638 0 40 FDAB CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)s1 225148998 UUEZMZNJYUIDBP-UHFFFAOYSA-N 372.497 1.973 0 40 FDAB Cc1ccnc(SCC(=O)N2C(=O)CN(C)C(=O)c3ccccc32)n1 40385999 CRNMPFALRWKFLD-UHFFFAOYSA-N 356.407 1.523 0 40 FDAB O=C([C@H]1CCCO1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96239926 GDVBYBDYOWLJRI-GOSISDBHSA-N 359.470 1.702 0 40 FDAB CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)Cc4ccccc4)C3)C2)CC1 96228471 MFSVLOWSCXGOAV-IRLDBZIGSA-N 371.525 1.874 0 40 FDAB Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)O)C[C@H]3C(=O)CCCC[C@H]32)cc1 95951669 QMXFQRZVLDYMQF-RBSFLKMASA-N 351.424 1.971 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(c1ncc(F)cn1)C2 96230445 LRNYQBWJUQOUEA-IBGZPJMESA-N 369.400 1.460 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95473277 NRQXPCANDDLUKR-GFCCVEGCSA-N 352.398 1.905 0 40 FDAB COCCN1C(=O)C2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 96052518 XWZXFXVQOVSXDB-UHFFFAOYSA-N 366.421 1.644 0 40 FDAB Cn1ccnc1CN1CCOC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 96240127 RWRPWWLPCHPIGN-LJQANCHMSA-N 374.416 1.194 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)no1 96244086 RDCWXMMUQCBQND-LJQANCHMSA-N 369.425 1.909 0 40 FDAB N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1)Cc1ccccc1 582354735 DVLHFQLPKUIRPM-ICSRJNTNSA-N 365.477 1.953 0 40 FDAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](C)Cc2ccccn2)[C@@H]3C1=O 248136648 AEXXPHRACSDCGC-RGCXKDKSSA-N 355.438 1.319 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn2C1 247864886 XDAOFSMICSCWAR-OAHLLOKOSA-N 362.861 1.931 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccnc3ccccc13)C2 253386633 XIRDPUFWUYROBX-AWEZNQCLSA-N 374.462 1.901 0 40 FDAB C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1)n1ccc(C(F)(F)F)n1 638260199 OPCNMLORSUZLFK-QKCSRTOESA-N 360.380 1.818 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](N(CCO)C(c2ccccc2)c2ccccc2)C1 575419594 WUENSFWFGUZHKF-QZTJIDSGSA-N 361.463 1.228 0 40 FDAB COc1ncc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)cn1 585276339 GMPQPXVTKJMSIE-LJQANCHMSA-N 357.410 1.240 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3cccc(OC)c3)C2)CN1CC1CC1 585109325 IYDHGLWZVKFJTO-GOSISDBHSA-N 359.470 1.106 0 40 FDAB CCc1c(C(=O)NCCC(=O)Nc2ccccn2)cnn1-c1ccccn1 52969675 JIYUHZCYTKZTAR-UHFFFAOYSA-N 364.409 1.983 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccc(-n3cncn3)c(F)c2)c2ccccc21 56085329 ILOMBJNZMAWAJT-UHFFFAOYSA-N 366.356 1.699 0 40 FDAB CCOc1ccccc1S(=O)(=O)N1CCN(CCn2cccn2)CC1 75156484 NFVZVIUPJWJVGZ-UHFFFAOYSA-N 364.471 1.288 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)ccc1N1CCNC1=O 679318142 CUPSQNQKZNMKGQ-CQSZACIVSA-N 357.370 1.121 0 40 FDAB COc1ccc2nnc(C3CCN(c4ncnc5[nH]cnc45)CC3)n2n1 585582268 RRNSJGJRERAYRL-UHFFFAOYSA-N 351.374 1.183 0 40 FDAB O=C(NCCNC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccccn1 12204753 XTEFDZBFHOHFBR-UHFFFAOYSA-N 354.410 1.199 0 40 FDAB CC(=O)N1CCC(N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)CC1 12219421 NXZOETDJXTWDPI-JXFKEZNVSA-N 370.453 1.070 0 40 FDAB COc1ccc(CCNC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)cc1 12236580 ZXHCNCNTEPHWSS-AWEZNQCLSA-N 359.451 1.956 0 40 FDAB COc1cnc(C2(O)CCN(C(=O)c3cc(C4CC4)on3)CC2)c(OC)n1 19571958 PCYCTZQRKZGKEI-UHFFFAOYSA-N 374.397 1.483 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 19698173 GQLQUNOKPAFQEG-IBGZPJMESA-N 366.469 1.909 0 40 FDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)C4CCC4)C3)cc2n1 19585600 JZFKWXWYZGKUCM-ZDUSSCGKSA-N 355.442 1.890 0 40 FDAB Cc1nc(CC(=O)N2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cs1 19766556 FHXQNCGHBMNEKB-UHFFFAOYSA-N 359.455 1.598 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)n1 1888860230 CRRGMQFCNDGBLA-KBPBESRZSA-N 369.450 1.302 0 40 FDAB O=C([C@H]1CCCCO1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888867021 ZZYRESOXURIDJJ-DZGCQCFKSA-N 371.441 1.798 0 40 FDAB Cc1ccc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)cc1 2056225667 XIMCDJFXHPOWQD-QUCCMNQESA-N 370.453 1.394 0 40 FDAB O=C(Nc1ccc2[nH]nnc2c1)C1CN(c2cc(-n3cccn3)ncn2)C1 253473097 RKDDOGCQQVSVQJ-UHFFFAOYSA-N 361.369 1.009 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565544645 PGHDBFGPEASVIH-RRQVMCLOSA-N 358.438 1.497 0 40 FDAB Cn1c(=O)c2nc(SCc3cccc(Cl)c3)n(C)c2n(C)c1=O 4571055 JMCGKEHDTMTQKX-UHFFFAOYSA-N 350.831 1.916 0 40 FDAB O=C(Cc1ccccc1F)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734549 IQHNBWJPPBJNMZ-HNNXBMFYSA-N 373.428 1.862 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)no1 21698047 QOJUGSIQBHAREG-INIZCTEOSA-N 369.425 1.832 0 40 FDAB Cc1nnc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)s1 38670628 QMMJEVCWDKIGPK-SECBINFHSA-N 360.399 1.267 0 40 FDAB O=C(c1cncc(Br)c1)N1CC[C@H](Oc2cnsn2)C1 618257452 WRIMJQWNCQKVEI-JTQLQIEISA-N 355.217 1.989 0 40 FDAB COc1nccnc1N1CCN(c2ccc(Br)cn2)CC1 2298032363 PNYAGJIOJMTUTG-UHFFFAOYSA-N 350.220 1.969 0 40 FDAB CNC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 40091024 AQPONQCJCTWRLI-UHFFFAOYSA-N 366.381 1.326 0 40 FDAB CCN(CCCNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 40050962 WWCRIXSPEKRCFG-UHFFFAOYSA-N 353.426 1.529 0 40 FDAB CN1CCc2c(sc3nc(SCCN4CCOCC4)nc(N)c23)C1 20358617 KLRMFLMEPWMWAA-UHFFFAOYSA-N 365.528 1.686 0 40 FDAB CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1 4581505 PTKXHTQWVKGFKP-LBPRGKRZSA-N 371.480 1.429 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3C[C@H](O)[C@H](CO)O3)c2n1 4803631 PVDRONULGPDJKM-RWMBFGLXSA-N 373.438 1.342 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)n1cccn1 41932927 QLVCROYJPIWPDP-GFCCVEGCSA-N 364.247 1.950 0 40 FDAB CN(C)c1nc(Cl)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1 721541 DZSKSIPEFBXZAT-UHFFFAOYSA-N 357.761 1.132 0 40 FDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccc(F)cc3)[C@H]2C1 107747551 SQMNWMAMUHQNIE-SZMVWBNQSA-N 350.434 1.910 0 40 FDAB Cc1cc(C)cc(OC[C@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 55971964 VMLPDRVJNSOHLJ-MRXNPFEDSA-N 367.409 1.496 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 58250524 MSLMTWGRCWMZIW-CHWSQXEVSA-N 367.515 1.659 0 40 FDAB NC(=O)N[C@@H](CC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1cccs1 54016609 CJXJTWYGUKYGJE-OLZOCXBDSA-N 374.470 1.423 0 40 FDAB C[C@]1(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 24447961 PGVSIEJMSCVVFX-DOMZBBRYSA-N 373.862 1.133 0 40 FDAB CCC(CC)[C@@H](CNC(=O)CNC(=O)c1ccccc1)N1CCOCC1 24838062 QGIUFSSMODWYBR-GOSISDBHSA-N 361.486 1.670 0 40 FDAB Cc1ccc(-c2nnc3n(CC(C)C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968284 SJOSRMDMLUGECQ-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1F)NCc1ccc(F)cc1 3301615 AKKQEZHQLDJRCQ-UHFFFAOYSA-N 362.332 1.554 0 40 FDAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 25049096 HEQAXUOGOAAJAJ-UHFFFAOYSA-N 362.451 1.974 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12734850 YRLOQMNLAKOHEO-WCQYABFASA-N 365.503 1.818 0 40 FDAB COCCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccccc21 11322372 ZUISUTREMYWJEO-UHFFFAOYSA-N 359.459 1.808 0 40 FDAB C[C@H](CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1 48362850 YWWKIIRMCFZPBG-CQSZACIVSA-N 353.422 1.712 0 40 FDAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1C 3531149 HUAHTZDJXXPRBF-SNVBAGLBSA-N 371.509 1.704 0 40 FDAB CCCCNC(=O)CN1CCN(C(=O)c2cccc3ncccc23)CC1 12909167 PIBPYTMXGAORBB-UHFFFAOYSA-N 354.454 1.909 0 40 FDAB O[C@@H](CNCc1c[nH]nc1-c1ccc(Cl)cc1)CN1CCOCC1 8746362 PUCOLXZHYHIZIU-INIZCTEOSA-N 350.850 1.513 0 40 FDAB COc1cccc(-n2c(O)c([C@@H]3NCCc4ccccc43)c(=O)[nH]c2=O)c1 5046449 FCARHDMGAIMRIS-QGZVFWFLSA-N 365.389 1.475 0 40 FDAB CCOc1ccc(C(C)=O)cc1Cn1cnc2c1c(=O)n(C)c(=O)n2C 6553157 PTCZZQIZKMMRNB-UHFFFAOYSA-N 356.382 1.083 0 40 FDAB CC[C@@]1(C)NC(=O)N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365069 UNFIDFDYJAICAL-BFUOFWGJSA-N 374.441 1.571 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(NCc2ccccc2)s1 8192184 NRUCHTKSULNOLP-UHFFFAOYSA-N 352.441 1.532 0 40 FDAB COc1ccc2c(ccn2CCNC(=O)CCNC(=O)c2cnccn2)c1 72404430 GZGGJEGIRIYGSI-UHFFFAOYSA-N 367.409 1.376 0 40 FDAB C[C@@]1(n2cc(CNC[C@H](O)c3ccc(F)cc3)cn2)CCS(=O)(=O)C1 84673588 UAOJVRPWFYIHLA-DLBZAZTESA-N 367.446 1.379 0 40 FDAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1nc2nc(C)cc(C)n2n1 88269431 LLIBAXAQNKJXQX-ZIAGYGMSSA-N 359.430 1.522 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)CC1=O 75094441 CCQDTEVKEOCNSG-ILXRZTDVSA-N 373.453 1.517 0 40 FDAB COCCCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409229148 KKGGWQYENRYLJW-GXDHUFHOSA-N 361.423 1.950 0 40 FDAB Cc1ccccc1NC(=O)Cn1c(=S)[nH]c2c1c(=O)n(C)c(=O)n2C 35311392 GCWSLVYSPSMWDC-UHFFFAOYSA-N 359.411 1.043 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccsc3)CC2)cn1 55286087 XCICVJISNFFQEQ-UHFFFAOYSA-N 354.457 1.018 0 40 FDAB O=C(NC1CN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1)C1CC1 187726064 HYCUWBCUPNNHIS-OAHLLOKOSA-N 374.416 1.241 0 40 FDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1nccs1 79481777 OHJDFRVZYCCWSG-AWEZNQCLSA-N 373.482 1.998 0 40 FDAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1C 74966445 QLMKMUMWSNGERJ-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nc2ccccc2[nH]1 85879309 ANHWNBRFEOMQOT-OAHLLOKOSA-N 363.377 1.320 0 40 FDAB biogenic CSc1ncccc1C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O 225806372 CONCNESNUNLMLW-UHFFFAOYSA-N 362.436 1.298 0 40 FDAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCC(C)CC3)snc2c1=O 49409854 MOAKHCROQDJWQZ-UHFFFAOYSA-N 350.444 1.819 0 40 FDAB O=C(NCCc1cccs1)[C@H]1COCC(=O)N1Cc1cccs1 85472615 RHEWFSGDJXHLRG-CQSZACIVSA-N 350.465 1.896 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1 96226122 GAPGTZQBZKEAKQ-QGZVFWFLSA-N 371.422 1.846 0 40 FDAB COc1ccc(CN2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)cc1 96056403 VXHRBSLHOVFVTG-GUDVDZBRSA-N 362.470 1.922 0 40 FDAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC1CCN(CC(F)F)CC1 579645916 HTXGTQSURIHZRH-OCCSQVGLSA-N 353.479 1.414 0 40 FDAB CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(c1ccncn1)CC2 96260369 OAWBNJBXCHQTDD-UHFFFAOYSA-N 366.469 1.683 0 40 FDAB Cc1ccc(N2CC[C@H]3O[C@H](C(=O)NCCN4CCCC4)CC[C@H]32)nn1 96100056 OZQXUOKWKDEZLV-ZACQAIPSSA-N 359.474 1.123 0 40 FDAB CC(C)n1cnc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc21 257201790 AJBLQITUOOKEAG-ATZDWAIDSA-N 372.469 1.571 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)C1CNC1 585089244 HACPFCLYMLXIKS-UHFFFAOYSA-N 373.478 1.517 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 253573464 RLHXLAPRBKCXQI-ABAIWWIYSA-N 366.364 1.872 0 40 FDAB CNS(=O)(=O)c1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)cc1 625762310 SNLKAEHAFNTIDD-INIZCTEOSA-N 368.499 1.348 0 40 FDAB Cc1noc(COC2CN(c3ccc(C(=O)Nc4ccccc4)nn3)C2)n1 643797819 CRVYBWHJRDBOOX-UHFFFAOYSA-N 366.381 1.826 0 40 FDAB CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 663111163 SGQNSKFCESSAHV-FQEVSTJZSA-N 367.405 1.873 0 40 FDAB C[C@@H]1CN(C(=O)NCc2ccc(C[S@@](C)=O)cc2)CC[C@@H]1C(=O)O 599863231 AREPDQCTBGWAQW-BKNZZOIVSA-N 352.456 1.817 0 40 FDAB Cn1cnnc1C1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 298700475 COVJTEQFIKJKMH-UHFFFAOYSA-N 353.430 1.595 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C 585168383 CBTVYJHGFABUSY-GOSISDBHSA-N 356.470 1.721 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)Cc2ccnn21 585095414 WCXRDTQBWLMRPX-KRWDZBQOSA-N 368.437 1.470 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)O)N(Cc2ncn(-c3ccccc3)n2)C1 685940528 NLCVRLFAQNRRIB-HIFRSBDPSA-N 357.414 1.021 0 40 FDAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCCO1 78725728 YEGLETYFSWOLAY-OLZOCXBDSA-N 358.316 1.986 0 40 FDAB O=C(Nc1cccc(Cc2nn[nH]n2)c1)c1cnnn1-c1cccc(F)c1 1637393015 HHNMRKFJNIYKJH-UHFFFAOYSA-N 364.344 1.763 0 40 FDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2cnccn2)CC1 11086528 IGSSSOWGOAZMLN-UHFFFAOYSA-N 367.409 1.514 0 40 FDAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)N3CCCC3)c2=O)n1 12117407 IYYKYOJZKSCZJI-UHFFFAOYSA-N 353.382 1.620 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2Cc3ccccc3S2)cc1 14264559 ZMPDAWSKSUMGHZ-MRXNPFEDSA-N 362.476 1.710 0 40 FDAB Cc1nnnn1-c1ccc(CC(=O)NCCOc2ccc(F)cc2)cc1 19288452 UYTFSAZURCVGIQ-UHFFFAOYSA-N 355.373 1.848 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526731 RZXDLOXJDMNYRB-NEULZYRMSA-N 350.802 1.537 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCNS(=O)(=O)N(C)C 19749129 LXGLGGYCGGWWIH-CQSZACIVSA-N 372.491 1.001 0 40 FDAB CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(OC)c(C)c1 19929624 IIGHCTAQTBRJAO-AWEZNQCLSA-N 370.471 1.309 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1nccc2ccccc12 390831088 PNWGASHDESHTFR-MRXNPFEDSA-N 373.478 1.616 0 40 FDAB CCNC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3610492 ZHXOHZYNIBAKRO-CQSZACIVSA-N 354.204 1.352 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)n1)CCC2 1888857230 NLXXIJNLQUBWPG-IRXDYDNUSA-N 362.433 1.895 0 40 FDAB Cc1nc2ncnn2c(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c1C 1888859555 QKZWRCQZYLFFEU-CYBMUJFWSA-N 364.475 1.134 0 40 FDAB CC(=O)Nc1cnn([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1 1888906527 ITQCDMLMPSXIIK-CQSZACIVSA-N 369.381 1.223 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)ccn1 1889149214 MUFOIPZDUSCVQY-UHFFFAOYSA-N 355.369 1.641 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838661 UVYGECIPFOIWMG-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB CN1Cc2ncc(-c3ccccc3)n2C[C@]12CCN(C(=O)C1CC(O)C1)C2 1614937233 RCMZENLVEGBDQC-MYKUNDNFSA-N 366.465 1.738 0 40 FDAB COC1(CC(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)CCC1 1565547463 PUCDWEQIOPPISR-ARFHVFGLSA-N 350.459 1.335 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565556373 FMSBNPDSCAFECI-DOTOQJQBSA-N 373.478 1.269 0 40 FDAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)cc1 9074309 LALWRWCNPGBVII-UHFFFAOYSA-N 351.414 1.924 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 2298180910 AYONBWASBBXGTF-IRXDYDNUSA-N 361.490 1.047 0 40 FDAB Cc1cc(N2CCN(CC3(O)CCOCC3)CC2)nc(N2CCCC2)n1 2298182793 WKLRDPSPAFPUAV-UHFFFAOYSA-N 361.490 1.049 0 40 FDAB Cc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2ncnc2n1 2298230532 DASRQRJOIBCPSB-UHFFFAOYSA-N 350.386 1.523 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2nc(C)cs2)C1=O 40033908 WLZJWZAVFIUVNK-SFHVURJKSA-N 372.450 1.925 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 40082504 HMTJEKKNANDZTK-UHFFFAOYSA-N 351.362 1.719 0 40 FDAB C[C@]1(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)CCS(=O)(=O)C1 30998187 LZXDXJWXQNINPI-KRWDZBQOSA-N 367.423 1.114 0 40 FDAB O=C(CCn1cncn1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 21208760 FKKAIFVPOXSMOA-OAHLLOKOSA-N 358.402 1.607 0 40 FDAB CCCCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102762614 GUGAVYSKPVPFCA-PHIMTYICSA-N 350.444 1.994 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc2n(c1=O)CCS2 29897958 XQVTXTYFIAZDIM-AWEZNQCLSA-N 374.466 1.899 0 40 FDAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c23)C1 11990306 VOHRCAOMJGAFJR-NEPJUHHUSA-N 361.467 1.878 0 40 FDAB CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@@H]1C(=O)O 800349 YLGIIVBDSLVWDR-AWFVSMACSA-N 359.039 1.619 0 40 FDAB biogenic Cn1cc(CC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cn1 77292091 VMWJYCWSRCINQP-UHFFFAOYSA-N 364.808 1.740 0 40 FDAB O=C(NCCN1C(=O)CCC1=O)Nc1cccn(Cc2ccccc2)c1=O 79072465 FCBHQAZAMOHQSA-UHFFFAOYSA-N 368.393 1.167 0 40 FDAB C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NCc2ccccn2)C1=O 79480719 WFZUFDWFQQNMRD-FQEVSTJZSA-N 351.406 1.805 0 40 FDAB O=C(N[C@@H]1CCSC1=O)c1cccc(C(=O)N[C@@H]2CCSC2=O)c1 663204 WQKGXFYNDRMLLF-VXGBXAGGSA-N 364.448 1.210 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 627895 NUESFGKMUKTESC-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB CCOC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 7812070 KUSXSMTUOJYJMG-ZDUSSCGKSA-N 353.463 1.809 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1nc2ccccc2o1 8269059 IMKZBMBPXCBJIK-UHFFFAOYSA-N 362.363 1.841 0 40 FDAB CNC(=O)C1(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 106010499 ZAZIHCXXDNIXSX-UHFFFAOYSA-N 369.387 1.876 0 40 FDAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 9926464 UKLYVOIIAQLVIY-CQSZACIVSA-N 364.365 1.871 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)s1 107326713 ZYJSBKDHIBVFJT-IYVPYFHTSA-N 373.430 1.898 0 40 FDAB O=C(NN1CCOCC1)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 56903807 VRZSWXFVYQKUKN-AWEZNQCLSA-N 373.482 1.785 0 40 FDAB CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 57475962 OUEUCTDNPXCNQA-CYBMUJFWSA-N 359.469 1.129 0 40 FDAB CN(C)c1ccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 58167771 QFXMQGNQWMZJRP-OAHLLOKOSA-N 358.394 1.651 0 40 FDAB CCCCCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58246563 MDHLIFAHOAZXCK-UHFFFAOYSA-N 364.471 1.976 0 40 FDAB Cc1ccc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc1F 56060921 ZKDFVYVHTRCJEP-UHFFFAOYSA-N 372.443 1.854 0 40 FDAB Cc1cccnc1CN1C[C@H](C(=O)NCc2cccnc2)[C@H]2OCC[C@H]21 108532604 JCEYIGNCXQSCPU-QXAKKESOSA-N 352.438 1.691 0 40 FDAB O=C(Nc1cc(F)ccc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23039517 NITGMFXDCSSUBO-JTQLQIEISA-N 371.365 1.069 0 40 FDAB CCOC(=O)c1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1 20466781 BDORCJOKDRTCSL-UHFFFAOYSA-N 371.445 1.122 0 40 FDAB COc1c(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc(Cl)c1Cl 11565972 XGRIKTUSZLRJFJ-UHFFFAOYSA-N 367.254 1.855 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(c3ncccn3)C2)s1 48366312 ZZQCSZZNDTWVLL-ZDUSSCGKSA-N 359.455 1.362 0 40 FDAB NC(=O)Cn1c(C2CC2)nnc1S(=O)(=O)Cc1ccc(Cl)cc1 48365637 GQQQHMYVRDLQBA-UHFFFAOYSA-N 354.819 1.268 0 40 FDAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)N1CCN(C)CC1 93173505 UGZYKCSSYXDBIM-YOEHRIQHSA-N 351.878 1.876 0 40 FDAB CCOC(=O)[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H](C)CC 72303254 KEABPPFVDHDKFM-ZWNOBZJWSA-N 362.348 1.961 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2nnc(C)o2)C(C)C)cc1 39210847 XMPXZQQXZZPGNU-OAHLLOKOSA-N 367.427 1.733 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(CC)cc1)C1=C(COC1=O)N2 4495963 ATIBWZVCTWPUCL-CQSZACIVSA-N 367.405 1.877 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1=O 14125686 QTYWQRPMDSBFJJ-OAHLLOKOSA-N 359.426 1.414 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CCN1C(=O)NC(C)(C)C1=O 14119137 MVTPPCDOJCRXIR-UHFFFAOYSA-N 360.414 1.079 0 40 FDAB C[C@@H]1O[C@H](C)CN2c3ccccc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@H]12 6662875 CFIFAECYAJHWBB-XUJVJEKNSA-N 373.478 1.427 0 40 FDAB C[C@H]1CN(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)C[C@@H](C)O1 15218801 RDUDQXJOCDOYKH-PHIMTYICSA-N 369.347 1.995 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9418498 LLIZDVNNWZNYDW-NSHDSACASA-N 366.381 1.937 0 40 FDAB COCCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1 9421942 RTDBRLLMLLEFJW-UHFFFAOYSA-N 370.409 1.103 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 81088428 XHMWOKIKLJYCPO-QGZVFWFLSA-N 355.438 1.846 0 40 FDAB CN(C(=O)/C=C/c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 8325566 HTNZEWYJBCNTQA-YVARQFDVSA-N 351.424 1.507 0 40 FDAB Cc1coc2cc3oc(=O)c(CC(=O)N(C)C[C@H](O)CO)c(C)c3cc12 8764251 RZKLAPWSIGZQGO-LBPRGKRZSA-N 359.378 1.510 0 40 FDAB biogenic Cc1ccc(Cn2ncc([C@](O)(c3nccn3C)C(F)(F)F)c2N)o1 8725313 FSYXUHRWNFDIPN-AWEZNQCLSA-N 355.320 1.947 0 40 FDAB CC(C)N1CCC[C@H](N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)C1=O 97011819 IFXXRXHTPIDOJS-HDICACEKSA-N 364.534 1.403 0 40 FDAB COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H](CCO)c1ccccc1 95461414 HFPUORYPFRENON-CYBMUJFWSA-N 359.382 1.288 0 40 FDAB COc1cc([C@H]2[C@@H]3[C@H](C)N(C)C(=O)N(C)[C@H]3N(C)C(=O)N2C)ccc1O 4093936 DBLJYIVEHBFBMD-MVWHLILJSA-N 362.430 1.767 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 75094023 NEESXVCOGIRWNV-AWEZNQCLSA-N 355.460 1.011 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(N)=O)c(C)c2oc1=O 32124148 WFDLVVAEZHPXEA-AWEZNQCLSA-N 358.394 1.573 0 40 FDAB biogenic COC(=O)CSc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 224622765 WZKXNGFDUXXMSV-JTQLQIEISA-N 367.408 1.582 0 40 FDAB NC(=O)[C@H]1CCCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 40071609 ZGIRBZVAMGTPII-QGZVFWFLSA-N 362.449 1.204 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCCOC(C)C)c1 225930803 GNTSTSSIZBCLBT-UHFFFAOYSA-N 356.488 1.855 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628593 DJQTYOPQIZTKNN-RCJHGTSTSA-N 357.362 1.093 0 40 FDAB CN1C(=O)c2ccccc2O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 514289755 NZHOVLIJJQBVEW-WBVHZDCISA-N 358.419 1.593 0 40 FDAB biogenic,in-vitro Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)o1 227167599 FUJQYVXMCMCVOY-UHFFFAOYSA-N 350.396 1.464 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(C(=O)O)CN(c3ccccn3)C[C@@H]2C1 96064276 BMBRIQFTYSQWES-VCBZYWHSSA-N 359.426 1.248 0 40 FDAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccco1)CC2 96230142 UOGASUPBNXWHNP-UHFFFAOYSA-N 354.454 1.983 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccccc3)C2)CN1c1cccnc1 96240159 BODXKFYFZXKMLT-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB Cn1cccc1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96232691 GXCXZBUPKYRDTD-INIZCTEOSA-N 354.410 1.542 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccncc1)C2 96050199 PAYACTOCOWQZCO-FQEVSTJZSA-N 365.437 1.316 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cn1 96218837 YWNNIDXYTHCSIT-MRXNPFEDSA-N 353.426 1.994 0 40 FDAB O=C1CO[C@@]2(COCCN(CC3CCOCC3)C2)CN1c1ccoc1 96051412 JICMWPPYUVPPII-GOSISDBHSA-N 350.415 1.140 0 40 FDAB CCS(=O)(=O)CCN1CC2(C[C@H](OCc3cnccc3C)CCO2)C1 247842047 QJWMJUUZWHFXDY-QGZVFWFLSA-N 368.499 1.575 0 40 FDAB COC[C@H]1CN(S(=O)(=O)C2CC2)CC12CCN(Cc1ccoc1)CC2 247880576 PTFDBSWTRVOLSV-MRXNPFEDSA-N 368.499 1.932 0 40 FDAB CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)Cc3ccncc3)[C@@H](O)[C@@H]21 257280613 OLOKXUKDQRSFDL-SJFSSXKUSA-N 367.405 1.056 0 40 FDAB CC(C)N1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 253394478 BBMDKVDIELMHEU-INIZCTEOSA-N 351.516 1.864 0 40 FDAB biogenic,in-vitro Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257216754 CVXRMRBEBGGEQD-IBGZPJMESA-N 357.458 1.467 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257247723 JAEAYBNUGMLOIV-NVXWUHKLSA-N 357.362 1.658 0 40 FDAB Cc1ncc(-c2cncc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C 257274012 NJELGNDLEZEOEF-ZDUSSCGKSA-N 364.475 1.171 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ccccn2)C1)c1noc2c1CCCC2 257296250 RBXDUVPFMHJFBW-IBGZPJMESA-N 356.426 1.710 0 40 FDAB CNC(=O)[C@H]1CCCN(C(=O)c2ncccc2-c2cccc(CN)c2)C1 257200112 ACAYREWRXYIBND-INIZCTEOSA-N 352.438 1.806 0 40 FDAB CC(C)(NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1cccs1 608137146 SALAMJGVTQJLQT-FKGLVLAHSA-N 362.451 1.652 0 40 FDAB CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2CCOC2(C)C)C1 662077066 BSJZLRIVLYDNOS-MOPGFXCFSA-N 374.529 1.917 0 40 FDAB CC(=O)N1Cc2ccc(S(=O)(=O)Nc3cnc4c(c3)COCC4)cc2C1 663299871 QSQYJTBHYBILQN-UHFFFAOYSA-N 373.434 1.817 0 40 FDAB C[C@]1(C(F)F)CN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCO1 664642009 JXVMRHMMQRJGTN-CXAGYDPISA-N 368.384 1.643 0 40 FDAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 670161408 VXGZPSGCUFETKK-YOGCLGLASA-N 364.427 1.211 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)CC2)cc(C(=O)O)c1C 671647931 FXSNQWQZIOZTPR-CYBMUJFWSA-N 368.455 1.668 0 40 FDAB CCOCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@H]2C 585097827 RGZNFKJZELJJEF-ZDUSSCGKSA-N 350.444 1.889 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)COc3ncccn3)C2)cc1 585276551 MRPORCVIYIKZBS-LJQANCHMSA-N 357.410 1.596 0 40 FDAB COC(=O)c1ccc(NC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410247 VYPOIVLOPCEQMW-LBPRGKRZSA-N 371.397 1.707 0 40 FDAB O=C(c1nn(-c2ccccc2)cc1O)N1CCC(c2nnc(O)o2)CC1 670446835 VJAJPJOQIQRQKL-UHFFFAOYSA-N 355.354 1.686 0 40 FDAB CNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 5294222 NDOWGYPTQUAHKJ-ZDUSSCGKSA-N 360.439 1.469 0 40 FDAB O=C(C[C@H]1NC(=O)c2ccccc21)NCCc1nc(-c2ccncc2)n[nH]1 12115829 QDVOIMIEZOKSOR-OAHLLOKOSA-N 362.393 1.400 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1C 13532446 IFSOQAPDGCRNOH-UHFFFAOYSA-N 351.414 1.338 0 40 FDAB CN(C)Cc1cc(-c2ccc(CNC(=O)CN3CCOCC3)cc2)nn1C 19288871 VDEZLVIKEXHGTH-UHFFFAOYSA-N 371.485 1.097 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375665 WRGMNJDKIFKVIF-GFCCVEGCSA-N 371.422 1.542 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1ccc(OC)cc1 19500763 VYHKUBZGMLCDIP-QCUYGVNKSA-N 360.410 1.282 0 40 FDAB CCn1nccc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19524168 SVUQNGDWCKANCM-AWEZNQCLSA-N 356.430 1.165 0 40 FDAB CN(C)c1ncc(CN2CCc3c([nH]c(-c4ccncc4)nc3=O)C2)cn1 19585552 YQYKHWRGPQJQDP-UHFFFAOYSA-N 363.425 1.246 0 40 FDAB O=C(CCN1CCN(c2ccccn2)CC1)N1CCC(N2CCCC2)CC1 19660951 MUCJHLMYHQGOJW-UHFFFAOYSA-N 371.529 1.681 0 40 FDAB COc1cccc([C@@H]2CCCN2C(=O)Cn2cnc3c(cnn3C)c2=O)c1 19716122 BUJHVRYMFQEBJI-INIZCTEOSA-N 367.409 1.502 0 40 FDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1 19799205 LOVIMSDYFBWBCQ-UHFFFAOYSA-N 353.492 1.188 0 40 FDAB COc1ccc(Cl)cc1CC(=O)N1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 622169978 GIMLGKQWBLCKMZ-SWLSCSKDSA-N 350.806 1.650 0 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CCOC(=O)CNC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 4328743 MYUMVPVDFHYVHL-UHFFFAOYSA-N 360.461 1.294 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 40107265 YADQCPVJFADKDQ-UHFFFAOYSA-N 365.224 1.306 0 40 FDAB COC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 40087904 QYYGVWVRGXZCQR-AWEZNQCLSA-N 353.378 1.855 0 40 FDAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C1CC1 40152086 AJYPJPIIRGBRCZ-LJQANCHMSA-N 373.497 1.760 0 40 FDAB O=C(NCCc1ccccc1F)C1CCN(Cc2nnnn2C2CC2)CC1 40120646 QSNACUXTSACEGN-UHFFFAOYSA-N 372.448 1.718 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2ncc3ccccn23)c(OC)c1 31773171 IXQIJCLLSJVWHL-UHFFFAOYSA-N 361.423 1.873 0 40 FDAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)c2c1 32093528 ZXEJAUHIEMLPQM-OAHLLOKOSA-N 351.428 1.179 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCn1c(C)csc1=O 20911469 JMMMDFDESCVNPM-HNNXBMFYSA-N 362.451 1.899 0 40 FDAB O=C(NCC1CC1)[C@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 51908940 TVFMTUXWHNDFEX-KRWDZBQOSA-N 368.485 1.833 0 40 FDAB CSc1nc2nc(C)c(CCC(=O)O[C@H]3C[C@H](C)OC3=O)c(C)n2n1 32739665 UCMGCNZJVZHEBC-UFBFGSQYSA-N 364.427 1.643 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102616112 GSDIQTDFMBFMIT-SRABZTEZSA-N 372.421 1.557 0 40 FDAB CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)C2CCOCC2)CC1 78944690 FCIRLCGMVKGSJO-IBGZPJMESA-N 371.481 1.535 0 40 FDAB CN(Cc1cccs1)C(=O)COC(=O)c1csc(S(N)(=O)=O)c1 22747970 QHRJRPGCMKPRJP-UHFFFAOYSA-N 374.465 1.272 0 40 FDAB O=C(COC(=O)c1ccc(O)cc1O)Nc1nnc(-c2ccccc2)o1 6080915 OZVRCRTZPODNLK-UHFFFAOYSA-N 355.306 1.943 0 40 FDAB COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)NC(C)C 7468757 MDCVPGQPAQBZOM-UHFFFAOYSA-N 363.439 1.707 0 40 FDAB CCc1nc(CN2CCN(C(=O)c3nc4nccc(C)n4n3)CC2)cs1 56463986 KJXNLXJJAGMHGZ-UHFFFAOYSA-N 371.470 1.410 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)Nc2cccc(OC)c2)nc1N 894253 UHPFENNVMQXYRS-UHFFFAOYSA-N 362.411 1.975 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100187852 KOSWIMVJIVWSQI-BHTHQVBYSA-N 364.195 1.645 0 40 FDAB C[C@@H]1CCc2c(sc3nnn(CC(=O)NCc4ccco4)c(=O)c23)C1 958780 QADMECDLWOUNDU-SNVBAGLBSA-N 358.423 1.887 0 40 FDAB CNC(=O)c1ccc(=O)n(CC(=O)NC(=O)Nc2ccc(C)cc2C)c1 58173656 KZIBPENFWIWPEE-UHFFFAOYSA-N 356.382 1.173 0 40 FDAB O=C(NCCc1cc(=O)[nH]cn1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 23429436 MIKPLRIFDTXKQK-LLVKDONJSA-N 360.801 1.135 0 40 FDAB COc1ccccc1C1(CNC(=O)c2ccn(C)c(=O)c2)CCOCC1 56460235 IEIHLGOWLLHXSE-UHFFFAOYSA-N 356.422 1.872 0 40 FDAB C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3O 100359658 GPITUBGISIVOSF-AJULVQTGSA-N 352.471 1.118 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)Cn3cnc4ccccc43)cc2N1 3292965 BDCKWAQECSHIFM-UHFFFAOYSA-N 365.345 1.793 0 40 FDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 26990354 TXCHYUZPRAQWOV-KBPBESRZSA-N 354.472 1.965 0 40 FDAB O=C(NCC(=O)N(CCO)Cc1cc(Br)ccc1F)C1CC1 58195169 GIDINHKRBJERCK-UHFFFAOYSA-N 373.222 1.435 0 40 FDAB CC(C)COCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58216154 NLJLJNXFXNFOCA-UHFFFAOYSA-N 361.486 1.904 0 40 FDAB Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cn2)cc1C 58222879 ZMAFFLLQWKKODC-UHFFFAOYSA-N 366.377 1.979 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 3352792 FLZASKMNUQJJGK-UHFFFAOYSA-N 373.390 1.483 0 40 FDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1 44901542 LIABMUCBQAHCAU-UHFFFAOYSA-N 356.378 1.822 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2ccccc21 58406740 VMXXWZPHANZKHG-XHDPSFHLSA-N 363.439 1.762 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100179646 CNPQLLVHIADDDV-IXAFZWLNSA-N 369.465 1.715 0 40 FDAB CCOC(=O)c1sc(NC(=O)C2(n3cnnn3)CCCCC2)nc1C 36354492 YCIMBFMOKQGXOZ-UHFFFAOYSA-N 364.431 1.913 0 40 FDAB CC[C@@H](CO)Nc1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 48314306 LJHVVNGWQYUMNY-NSHDSACASA-N 351.790 1.855 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)c1 10960504 ZDQFWIMWMJLGJJ-UHFFFAOYSA-N 374.462 1.907 0 40 FDAB O=C(CCn1cnc2sccc2c1=O)Nc1nnc(C(F)(F)F)[nH]1 45571427 UPNNSQWHLMKBOE-UHFFFAOYSA-N 358.305 1.624 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 45750581 QMLCMYIGQGLHSJ-BLLLJJGKSA-N 359.401 1.448 0 40 FDAB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC[C@@H]1CCCO1 11592058 OQPDXIFNOOVOBA-ZJUUUORDSA-N 353.473 1.496 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(NS(C)(=O)=O)CC1 11717916 PXUKKKDQHFQTCD-ZDUSSCGKSA-N 365.499 1.516 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccccc2COC)CC1 46032580 SUXBPFSZERVKDM-HNNXBMFYSA-N 362.474 1.897 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)NCCC(=O)N2CCCC2)cc1 12909363 XCZSJVVAUUCYFO-UHFFFAOYSA-N 352.456 1.288 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)CC(=O)N2 21776908 ICHMCLLPHKOHKS-SNVBAGLBSA-N 364.199 1.321 0 40 FDAB COc1cccc(-c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)c1 13731166 XPAATOOPMCMQDJ-LBPRGKRZSA-N 366.464 1.665 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 4328716 MDSYLTLHJSAGRT-MRXNPFEDSA-N 364.357 1.917 0 40 FDAB CC[C@H](C)NC(=O)C1=CC(c2cccc(OC)c2)=NS(=O)(=O)N1C 20467478 GPGPJPKUZVJRAG-NSHDSACASA-N 351.428 1.473 0 40 FDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1c[nH]c2cccc(F)c12 90419682 FGTGHXDTFLLVOM-GUYCJALGSA-N 361.417 1.774 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 68533220 VIRGLECCYUBBON-DLBZAZTESA-N 366.421 1.188 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(OC)nc2)C1=O 9501629 WHJLKPFSQIPYOS-GOSISDBHSA-N 354.366 1.592 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 8750683 NENCTVIQERYQFH-UHFFFAOYSA-N 374.400 1.756 0 40 FDAB Cn1cc(C(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)cn1 95998358 BWMULDOZQVAZEN-SFHVURJKSA-N 367.453 1.374 0 40 FDAB COc1ccc(CNC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1OC 75110588 XVKPOAWRILPDRE-CQSZACIVSA-N 365.430 1.174 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408650840 ACMGCOGPOZADNK-DSIZOQBWSA-N 370.405 1.508 0 40 FDAB CCN(CC)C(=O)CSc1nnc(COc2ccccc2F)n1N 21137161 CTEBFBQLQSGZST-UHFFFAOYSA-N 353.423 1.671 0 40 FDAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC(C)C)C3=C2C(=O)OC3)c1 67288814 WYCAXDMVBYUUCF-QGZVFWFLSA-N 357.410 1.705 0 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COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCCCC1 225666438 SNVJTMKBDIMDTI-UHFFFAOYSA-N 354.472 1.891 0 40 FDAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCCN2CCOCC2)n1 225918723 MBFHITBALFHTCN-UHFFFAOYSA-N 355.442 1.899 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nnc3n2CCCC3)no1 329944386 IJIPJXVQGLCKAN-KBPBESRZSA-N 363.441 1.350 0 40 FDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3ccno3)CC2)c2ccccc2O1 96080191 ZRKDFEVMHFIGHM-INIZCTEOSA-N 355.394 1.746 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ccccn4)C3)C2)c1 96216728 DRYHPDXLDCTWLE-QGZVFWFLSA-N 361.471 1.496 0 40 FDAB Cc1noc(C2(NC(=O)c3ccc(OCC(F)F)nc3)CCOCC2)n1 585088518 JKOCHNBIGZCDSX-UHFFFAOYSA-N 368.340 1.853 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3cncc(C(=O)O)c3)ncn2)C1 257211971 CBIXSSYJNMCNJY-NSHDSACASA-N 362.411 1.061 0 40 FDAB Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257204020 ASRUEBABTIAKRH-GOSISDBHSA-N 359.430 1.114 0 40 FDAB C[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)O 262492150 XNLKQYYZPRQWBH-LURJTMIESA-N 350.190 1.135 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccccn1 604405344 ZKQJPZSBYWIESZ-KNBMTAEXSA-N 351.406 1.850 0 40 FDAB biogenic Cn1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O 640204698 CBVSELNYFBGHIF-MRXNPFEDSA-N 354.410 1.871 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CN1 657210182 CQWPZKVBBDZZPB-XJKSGUPXSA-N 356.426 1.722 0 40 FDAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 665786066 IHJYWZBHZHMFKY-ZOCIIQOWSA-N 371.481 1.610 0 40 FDAB Cc1cccc(OCCC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1C 685940152 ZTPDQEHFFBSBFP-FUHWJXTLSA-N 359.426 1.768 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585271690 ININGMODJOHOQM-FQEVSTJZSA-N 357.454 1.792 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCCn3ccnc3)CCO2)cc1 585278114 QQSTXPXHNWWWSN-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(Cl)cc3)C2)OC1 585105449 WSNLZSRQVPVYGS-AWEZNQCLSA-N 358.891 1.870 0 40 FDAB O=C([C@@H]1C[C@@H](O)CN1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 685939919 WORNLQCLHZIVKV-ULOPGQLASA-N 363.216 1.755 0 40 FDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2nccs2)CC1 64878216 ZVCOHKRDENFSPM-CQSZACIVSA-N 350.488 1.973 0 40 FDAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 36391272 CCPLLXCYYWLAGI-UHFFFAOYSA-N 372.381 1.857 0 40 FDAB C[C@H](C(=O)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1)c1ccccc1 72346906 WKSVELZYBANYFH-AWEZNQCLSA-N 368.437 1.295 0 40 FDAB O=C(O)CC[C@@H]1C[C@H](C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)CO1 1574682962 YQIHBQGCZDAARX-GVDBMIGSSA-N 374.437 1.216 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12141848 DCNWWKNJSDKOAB-AWEZNQCLSA-N 351.403 1.473 0 40 FDAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 16575240 UGMNVASVYDJPRY-AWEZNQCLSA-N 370.471 1.247 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406896 XJACGCFESIDEPK-ZDEQEGDKSA-N 355.389 1.544 0 40 FDAB COCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19593127 TVEPSQNWIYQQPS-SDDRHHMPSA-N 361.368 1.841 0 40 FDAB CS(=O)(=O)N1CCC(CC(=O)N(Cc2ccccn2)C2CC2)CC1 19748750 RGJPOEBNJWZBHY-UHFFFAOYSA-N 351.472 1.634 0 40 FDAB Cn1cnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@H](O)C3)cc2)n1 640866563 IWQZZKULXOQZGV-BBWFWOEESA-N 355.442 1.200 0 40 FDAB O=C1NCCOCCOc2ccc(NCC3CC3)cc2CN2CCC[C@H]12 643572866 JZXNAHFJMBRVOX-GOSISDBHSA-N 359.470 1.998 0 40 FDAB CO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@]12C[C@H](c1cccc(F)c1)CO2 643586047 SZARKTUDNGNVQZ-POZUXBRTSA-N 359.401 1.891 0 40 FDAB O=C(N[C@H]1CC[S@@](=O)C1)N1CCOc2cc(Br)ccc2C1 685938930 NSXFHVJFUNTQAC-LAJNKCICSA-N 373.272 1.874 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 575615263 GOALUVOIBCCUPG-UHFFFAOYSA-N 365.908 1.650 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)OC(C)(C)C)C2=O 14675910 UAKVPFORDBNVTL-APPDUMDISA-N 354.403 1.372 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(CCn2ccnn2)CC1 1849467594 RYWXBMZPTNICFW-UHFFFAOYSA-N 352.442 1.709 0 40 FDAB COc1cc(Br)c(S(=O)(=O)N2CCNCC2)cc1OC 35577311 AMJKNYRKPARXMJ-UHFFFAOYSA-N 365.249 1.060 0 40 FDAB C[C@]1(O)CN(C(=O)CNC(=O)c2ccccc2)CC[C@@H]1Oc1ccccc1 2037795987 BVKFVXDDLBFQTD-RXVVDRJESA-N 368.433 1.847 0 40 FDAB Cn1cc(NC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)cn1 2037915932 BUSODOJFDJVPMG-IBGZPJMESA-N 358.442 1.655 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccccc2F)CC1 2055773017 KUWMNRBOUCYFDC-UHFFFAOYSA-N 374.416 1.416 0 40 FDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)c1ccccc1 23115258 PJFBPDCBGRUABD-AWEZNQCLSA-N 371.441 1.014 0 40 FDAB CCNC(=O)c1nsc(C(=O)NCc2cc(OC)ccc2OC)c1N 49006216 KPTLHNFCNXZGQX-UHFFFAOYSA-N 364.427 1.422 0 40 FDAB O=S1(=O)CC[C@H](NCCn2cncc2-c2cnn(-c3ccccc3)c2)C1 19719558 FZYYYLAZTKZZHZ-INIZCTEOSA-N 371.466 1.513 0 40 FDAB Cn1ncc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1-n1cccc1 72009018 VDGYQEBUTPUQTD-UHFFFAOYSA-N 358.423 1.544 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@@H](O)c3ccccc3F)c(=O)[nH]c2c1 40074164 ZZXXTWNVTDPKRT-OAHLLOKOSA-N 358.325 1.349 0 40 FDAB O=C(Cn1cnc2cc(C(=O)O)ccc2c1=O)NCCOc1ccccc1 20004223 QLCOEWTZQKOGMZ-UHFFFAOYSA-N 367.361 1.290 0 40 FDAB CC(C)CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 40160539 BCOVGGAXVVDSKR-MRXNPFEDSA-N 370.471 1.533 0 40 FDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cn1C 50557764 JGBHISGRGWSROZ-UHFFFAOYSA-N 363.443 1.163 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCCOC1CCCCC1 100698000 MIPAFUYMVSBKEE-USJZOSNVSA-N 360.454 1.649 0 40 FDAB CC(=O)NCc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 32747925 ASZDDVGRTCVITR-UHFFFAOYSA-N 364.405 1.831 0 40 FDAB Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2c(=O)[nH]n(C)c2n1 32963285 AVXKYLGLZJIFAD-HNNXBMFYSA-N 352.394 1.784 0 40 FDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCCN(C)CC2)c1 32963978 SOJCTFLOBQNXPZ-UHFFFAOYSA-N 360.487 1.535 0 40 FDAB Cc1nn(C)c2sc(C(=O)OCn3nnc4ccccc4c3=O)cc12 11968347 IWNSUPYXVJAUKX-UHFFFAOYSA-N 355.379 1.863 0 40 FDAB Cc1cc(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)no1 2793605 DUKYFSKTNHIAGW-UHFFFAOYSA-N 350.342 1.591 0 40 FDAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1 6300484 NXJCMRMVMYTDAT-UHFFFAOYSA-N 365.382 1.839 0 40 FDAB CC(C)C[C@H](C(=O)OCC(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 8283644 YZQWDQCEYZNLRA-OAHLLOKOSA-N 358.394 1.519 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 1059816 OKOBURQTIGWXHJ-OLMMMNRUSA-N 366.385 1.992 0 40 FDAB O=C(Cn1nnc2ccccc21)NC[C@H](c1cccs1)N1CCOCC1 24989349 YBBWSVBSEFXJRS-MRXNPFEDSA-N 371.466 1.683 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(C(=O)O)cc1 28924420 IDKLAIJGDBPQCS-QGZVFWFLSA-N 353.378 1.722 0 40 FDAB Cc1cc(N2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)nc(C(C)C)n1 95469780 GUQZMSNKOBQCRK-UHFFFAOYSA-N 371.493 1.064 0 40 FDAB Cc1cc(C)n(C(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)n1 57478036 CJYWVPCJAWGUBL-UHFFFAOYSA-N 371.372 1.896 0 40 FDAB CCNC(=O)NC(=O)CN[C@H](C(=O)Nc1ccccc1)c1ccccc1 58166445 GLZJEAAUSUZCST-KRWDZBQOSA-N 354.410 1.802 0 40 FDAB C[C@@H](C(=O)NCc1ccncc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957184 XPSWFQIPMYEYDM-NSHDSACASA-N 369.393 1.831 0 40 FDAB CC(C)N1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 58175364 ZDMZSFZJVHLDLB-MRXNPFEDSA-N 367.515 1.544 0 40 FDAB C[C@@H](CNC(=O)c1cn(CCN(C)C)c2ccccc12)N1CCOCC1 58390819 AIEGKWDKQBEVKQ-INIZCTEOSA-N 358.486 1.653 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207536 FKLBVKCVYPSIOP-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB COc1ccc(COC[C@@H](O)CNC(=O)[C@@H]2COc3ccccc3O2)cc1 58377559 JTQXNDDXCLGRNI-KXBFYZLASA-N 373.405 1.529 0 40 FDAB CCOC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 22985400 FWPMUUGFRMSLRS-UHFFFAOYSA-N 363.439 1.406 0 40 FDAB O=C(NCCCN1CCc2ccccc21)N1CCN(c2ncccn2)CC1 36396665 AWUFMJGTKKOPII-UHFFFAOYSA-N 366.469 1.761 0 40 FDAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)ccnn23)cc1 2377662 KKXMWAZBPICYDB-UHFFFAOYSA-N 350.378 1.869 0 40 FDAB COCCN(Cc1ccccn1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 58991842 NKERWKUBIWQNCG-UHFFFAOYSA-N 374.485 1.984 0 40 FDAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)n1nnc(-c2ccccc2)n1 179359351 LNGMPATZEJTBQU-GXTWGEPZSA-N 352.402 1.773 0 40 FDAB Cc1noc(C)c1CN(C)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 46060841 BBIHNONKDKSDAU-UHFFFAOYSA-N 362.405 1.771 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)c1cccnc1 49022796 XUTNDTGHGOESPZ-LBPRGKRZSA-N 353.382 1.427 0 40 FDAB COc1ccc(OC[C@@H](O)CN2CCN(CCN3CCCC3)CC2)cc1 71283069 MCAUQPSWXZKJLG-SFHVURJKSA-N 363.502 1.148 0 40 FDAB Cc1ccc(OCCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)c1 14171312 IEPZZXBFMAWQOB-UHFFFAOYSA-N 367.405 1.502 0 40 FDAB COc1cccc(-n2nc(C)c(CCC(=O)N3CCNC(=O)C3)c2C)c1 14251123 PKCVKMGQEFMBSW-UHFFFAOYSA-N 356.426 1.389 0 40 FDAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 9303610 LFSUNDCRTWTAEU-STQMWFEESA-N 368.480 1.941 0 40 FDAB CCN(C(=O)CN(C)Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 15294545 UQLBMQIYRROOQP-OAHLLOKOSA-N 354.472 1.163 0 40 FDAB CSc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 7021589 KZZLZMWDTXZCIK-UHFFFAOYSA-N 363.439 1.566 0 40 FDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN([C@H]3CCCCNC3=O)CC2)cc1 72308544 IKIIVGHSUMBWJG-APWZRJJASA-N 372.513 1.862 0 40 FDAB NC(=O)c1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCCC2 7655263 FKXBBRBUEYTBJH-UHFFFAOYSA-N 366.395 1.096 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022101 KAEWUPPTNDRMNN-ULMVMLMRSA-N 355.438 1.863 0 40 FDAB O=c1[nH]c(CCN2CCN(Cc3cccc(O)c3)CC2)nc2ccccc12 81019184 QXFCWEPBFQALJZ-UHFFFAOYSA-N 364.449 1.989 0 40 FDAB CC1(C)CC(NC(=O)CNc2nc(Cl)nc3[nH]cnc23)CC(C)(C)N1 9546827 OAHDKZRKQRFJCO-UHFFFAOYSA-N 365.869 1.844 0 40 FDAB C[C@H]1CCc2c(sc3ncnc(N4CCN(S(C)(=O)=O)CC4)c23)C1 16738354 HIKBCEIGEALUKW-NSHDSACASA-N 366.512 1.898 0 40 FDAB O=C([C@@H]1CN(C(=O)c2ccccc2)c2ccccc2O1)N1CCOCC1 16964265 LYRNPHNQMAEFNX-SFHVURJKSA-N 352.390 1.953 0 40 FDAB C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 8709027 MNGPSTSOVWZNMI-AWEZNQCLSA-N 352.456 1.722 0 40 FDAB Cc1ccc(OCc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 8734309 VINDBUONEPJWMV-GFCCVEGCSA-N 366.464 1.947 0 40 FDAB Cn1c(N2CC[C@](C)(CCc3ccccc3)C2)nc2c1c(=O)[nH]c(=O)n2C 75106862 GWPIQWFCWCWCBO-FQEVSTJZSA-N 367.453 1.810 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@H]2COc1ccccn1)C(F)(F)F 306144267 ZATDLKUUQVXNOP-JTQLQIEISA-N 352.334 1.401 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408597389 VECACWANULJHPT-ZIAGYGMSSA-N 370.471 1.390 0 40 FDAB CC(C)c1noc([C@@H](NC(=O)[C@@H]2CN(C)CCO2)C2CCOCC2)n1 548333149 IMTQNTPSUQVFCQ-KBPBESRZSA-N 352.435 1.108 0 40 FDAB O=C(NCc1nncn1-c1ccccc1)c1ccnc(NC(=O)C2CC2)c1 505266678 RIVSHCRXGCLAJC-UHFFFAOYSA-N 362.393 1.941 0 40 FDAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccncc3)cc21 408534047 UQANRQXLHVPOMP-UHFFFAOYSA-N 367.409 1.361 0 40 FDAB COc1cccc2c1O[C@H](c1ccccc1)C1(C2)C(=O)NC(=O)NC1=O 524731655 GETSIGQHGNFHKH-OAHLLOKOSA-N 352.346 1.724 0 40 FDAB biogenic CN(C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 30871286 YRTKDBVKAZJDFE-ZDUSSCGKSA-N 359.517 1.217 0 40 FDAB COCCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217632200 UNRVBAYJTLIDGZ-LBPRGKRZSA-N 372.443 1.291 0 40 FDAB COCCNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327601 ULQBLMHTGQLKTB-VLIAUNLRSA-N 374.437 1.554 0 40 FDAB CS(=O)(=O)c1n[nH]c(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)n1 563698998 QOEPUABPDAVVLI-VIFPVBQESA-N 369.834 1.327 0 40 FDAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccccc1Cl 211097040 CWOUSHROLVTIPR-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB COc1cnc(C2(O)CCN(C(=O)c3cscn3)CC2)c(OC)n1 72342908 UGGRVXAMVMDLTI-UHFFFAOYSA-N 350.400 1.074 0 40 FDAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1cccnc1 71283227 RFOFRNLVUSQYAK-UHFFFAOYSA-N 365.389 1.953 0 40 FDAB CC(=O)NC[C@@H]1CN([C@@H](C(=O)O)c2cc(Cl)cc(Cl)c2)CCO1 569130723 XJYOOFLLGJXCTO-ZIAGYGMSSA-N 361.225 1.956 0 40 FDAB CCOCCCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48561156 NZPSNMJQYOOOAR-UHFFFAOYSA-N 354.838 1.824 0 40 FDAB CN(C)CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222932830 DSYZWTUINYGCJO-UHFFFAOYSA-N 359.467 1.440 0 40 FDAB Cn1cc(CN2CCOC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 96240071 UTXQXDALPPOHIQ-LJQANCHMSA-N 356.426 1.055 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 96065347 NNRNUWOPTIFERP-ZACQAIPSSA-N 353.426 1.657 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@@H]3OCCN(c4cnccn4)[C@@H]3C2)c1 96248896 REGRQXREXQTTOV-CVEARBPZSA-N 360.439 1.063 0 40 FDAB COc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccoc2)C(=O)CO3)cc1 96051400 UBBKSAWYUVGZBD-HXUWFJFHSA-N 372.421 1.923 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 96040074 AADMRZDUUJYHTC-HZPDHXFCSA-N 355.460 1.138 0 40 FDAB CN1C[C@H](C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1=O 90607585 SKLKWDLDCPYRQW-LLVKDONJSA-N 371.359 1.949 0 40 FDAB COc1cc2nc(C)n(CCNC(=O)c3ccccn3)c(=O)c2cc1OC 95472131 VNYGCCIGCCXMQG-UHFFFAOYSA-N 368.393 1.547 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)c1ccccc1OCc1nnnn1C 96101368 LWRVFNRUVGLOHL-UHFFFAOYSA-N 355.402 1.069 0 40 FDAB C[C@H]1CCCCN1CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 248048319 AKUAVLAEVFBKNY-HOTGVXAUSA-N 357.502 1.703 0 40 FDAB Cc1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)n1C 257366554 MCTPOWGTEQWPBS-GMBSWORKSA-N 368.485 1.741 0 40 FDAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 257284502 PCYAEFZWBSVTQB-AWEZNQCLSA-N 370.438 1.626 0 40 FDAB CO[C@@]12C=C[C@@]3(C[C@@H]1CO)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 253504719 KSIZHHFJCGTAKZ-GEDRXXIDSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2ccc(=O)c3ccccc32)C1 622761629 ULDNKFUORXGUCP-IAQYHMDHSA-N 353.344 1.882 0 40 FDAB CCn1cc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 657201563 WYCBAWGIYADSDY-SWLSCSKDSA-N 353.448 1.083 0 40 FDAB Cc1csc([C@H]2CCCN(C(=O)CCn3cnc4c(N)ncnc43)C2)n1 669293313 RVWMUIFQGRJGRR-LBPRGKRZSA-N 371.470 1.970 0 40 FDAB Nc1cc(CN2C[C@H](C(=O)N3CCC(O)CC3)[C@@H](C(F)(F)F)C2)ccn1 1775960407 JZVFCIDJCLZIQX-KBPBESRZSA-N 372.391 1.257 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)o1 585111969 JLCHAOUONOHWIS-CQSZACIVSA-N 350.444 1.423 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](COCc3ccncc3)CN2C)C1 585093917 PGRUKGLNECWPIF-MRXNPFEDSA-N 356.426 1.741 0 40 FDAB COc1ccc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)cc1 585270888 CIMPCFKIVBYTDV-HXUWFJFHSA-N 357.406 1.978 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(C)c(C(=O)OC)o2)c1 30723443 QEHMHGDIVKQUIN-UHFFFAOYSA-N 367.379 1.640 0 40 FDAB O=C([C@@H]1CCCN(c2ccc(Br)cn2)C1)N1CCOCC1 80207051 CKCWKCSMZARNBK-GFCCVEGCSA-N 354.248 1.919 0 40 FDAB CO[C@H]1CCN(C2CCN(C(C)=O)CC2)CC[C@@H]1CC(=O)N1CCCC1 1615153795 BARFOHUPFCBAAE-MJGOQNOKSA-N 365.518 1.737 0 40 FDAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1cn(Cc2ccccc2)nn1 1775967722 APADHISOTSSOGE-UHFFFAOYSA-N 359.389 1.687 0 40 FDAB COc1ncnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC 5138209 PBSUUNCQTRDFCM-UHFFFAOYSA-N 352.372 1.253 0 40 FDAB in-vitro Cc1csc2nc3n(c(=O)c12)CCN(C(=O)[C@@H](C)N1CCCC1=O)CC3 13227967 WICPZZPGRRRYNR-GFCCVEGCSA-N 374.466 1.162 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)Cc4ccccc4)CC3)ncnc21 13533339 SLENHDQSFFSWRZ-UHFFFAOYSA-N 351.414 1.133 0 40 FDAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 14398546 BXHHJPHTAAWLNT-HNNXBMFYSA-N 358.435 1.667 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 14607420 DGGODKVUHYOOCK-GDBMZVCRSA-N 374.437 1.911 0 40 FDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 17074992 TXOXZPIGFGMWIT-FXUDXRNXSA-N 364.829 1.867 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 19373686 VUFAPXGXJKKESW-OAHLLOKOSA-N 372.406 1.894 0 40 FDAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1C 19520940 UMIJZZQUGRXGGA-ZDUSSCGKSA-N 354.458 1.736 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)c1cnn3c1N[C@H](C)C[C@H]3C(F)(F)F)C2 13228096 GLUOPOVBSBKEHE-KCJUWKMLSA-N 369.351 1.747 0 40 FDAB O=C(O)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 9537177 PFFQDFCSLCWIHT-OAHLLOKOSA-N 366.439 1.550 0 40 FDAB Cc1nc(C)c(CN2C[C@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@H]3C2)s1 1888842604 XTBRHESOSJCWDZ-BETUJISGSA-N 361.471 1.127 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850048 KZWMXVDCZVJLJX-LJQANCHMSA-N 355.394 1.940 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc2nccnc2c1 2037971254 KQCOHPNTAFVNIK-JSXRDJHFSA-N 365.433 1.139 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(COCCN(Cc3cccnc3)C2)CC1=O 1614940833 WTZJNTPHSGSWBS-FQEVSTJZSA-N 370.453 1.938 0 40 FDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1565545224 BQKMRPVFEUYKSE-KRWDZBQOSA-N 351.422 1.987 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551447 FJZHHVJBAIYIRV-QFBILLFUSA-N 371.416 1.815 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 1565549125 QJKIVZYSINJKJL-KBPBESRZSA-N 357.439 1.096 0 40 FDAB COC(=O)c1ccc(Cn2cnc3c(nnn3-c3cccc(C)c3)c2=O)o1 5056975 FLJCBCVRMUUVOV-UHFFFAOYSA-N 365.349 1.714 0 40 FDAB CCc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 12234970 SZGSWEPVTPINPS-UHFFFAOYSA-N 370.457 1.851 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)n1 2055738694 KPJQRYQTOQGJHQ-NSHDSACASA-N 369.381 1.218 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 30595675 RIOKRUBEYZWTDI-KRWDZBQOSA-N 366.483 1.822 0 40 FDAB CCOC(=O)c1nc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)cs1 52395091 YOUJQXQZPXMBDE-GFCCVEGCSA-N 366.487 1.105 0 40 FDAB COc1ccc(-c2csc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 32912362 PKYIGPKRBXVHFP-RISCZKNCSA-N 364.448 1.969 0 40 FDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCc1ccccc1 12095980 ZJRMMTLHSYWNFH-ZDUSSCGKSA-N 351.366 1.524 0 40 FDAB CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC3)nnc12 1331698 NENQJOAYOKOVRA-UHFFFAOYSA-N 357.439 1.779 0 40 FDAB NS(=O)(=O)c1ccc(CCNCC(=O)N2CCc3ccccc32)cc1 3338954 BZVINVBMXVIKNU-UHFFFAOYSA-N 359.451 1.055 0 40 FDAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccncc3)c(=O)n1C2 4258955 XOHZTJDXJUFDIW-DZGCQCFKSA-N 352.394 1.461 0 40 FDAB biogenic,in-vitro CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 4921303 AOHYQGVMTDLXSL-SRHPJPHMSA-N 374.433 1.882 0 40 FDAB CCn1cncc1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCC[C@H](O)C3)nc1C2 100121121 HKSNBILZYHGOJZ-SIXWZSSISA-N 368.485 1.916 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1OC 101370633 FVDHBXQOSUJIFW-HWLIBYHHSA-N 359.378 1.113 0 40 FDAB CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccco2)cc1 9926921 FKKCFFXAOVDPQH-HNNXBMFYSA-N 371.393 1.648 0 40 FDAB CN(Cc1ccc(OCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100452016 CHSRCBKEXPLVCF-BFYDXBDKSA-N 366.483 1.762 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCNC(=O)C2)sc2c1CC[C@@H](C)C2 57386120 RZTGPRQDNLOMKJ-SNVBAGLBSA-N 365.455 1.030 0 40 FDAB O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1CN(Cc1cccnc1)CN2 19939608 KMHFPPVLOUGUTQ-UHFFFAOYSA-N 369.812 1.959 0 40 FDAB C[C@H]1CN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)C[C@H](C)O1 44413387 SSAVPDJESSLVPU-STQMWFEESA-N 367.881 1.569 0 40 FDAB COc1ccc(CNC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 10198388 OSLOXSJNFXGGSB-UHFFFAOYSA-N 373.800 1.407 0 40 FDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 10217269 GNPRCJKUDUJABB-VIFPVBQESA-N 356.753 1.997 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)/N=c2\sccn2C)C(C)C)cc1 29649800 JNXNATYUEVTPEM-HYEKCJMVSA-N 367.496 1.825 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2cccnc2-n2cccn2)c1C 24642432 HRRJPIRDXRFADV-UHFFFAOYSA-N 353.382 1.929 0 40 FDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58214741 YULBSDZYFZGPCJ-CYBMUJFWSA-N 352.456 1.626 0 40 FDAB CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 3362203 FFNYTFUPZFFHOP-UHFFFAOYSA-N 354.409 1.736 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 54672244 JYFSWBIXBLCURL-INIZCTEOSA-N 372.860 1.994 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 36383943 OZZRPCHVJAWFLG-UHFFFAOYSA-N 357.501 1.067 0 40 FDAB C[C@H](C(=O)Nc1ccccc1F)N1CCC(C(=O)N2CCOCC2)CC1 12797071 AISNQQHENOPSFY-CQSZACIVSA-N 363.433 1.724 0 40 FDAB Cc1ccccc1[C@@H](CC(=O)NCCNC(=O)OC(C)(C)C)NC(N)=O 60158744 BSVQQLJLJAXXBJ-CQSZACIVSA-N 364.446 1.735 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 29678138 SMZHBVIOKAKLFK-UHFFFAOYSA-N 350.465 1.793 0 40 FDAB C/C=C/CN1N=C(C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 9059643 YSARIIDAFICLKB-VOTSOKGWSA-N 358.446 1.715 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2coc(-c3ccccc3)n2)n(C)c1=O 6082864 VRCDZIQZLZTSQN-UHFFFAOYSA-N 371.784 1.790 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(OC)cc2)NC(=O)N[C@H]1C 5474129 VQKUJWDJZUDOHD-NSHDSACASA-N 362.382 1.299 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)s1 6504058 PLETZCFQNOTJDS-UHFFFAOYSA-N 363.420 1.599 0 40 FDAB COc1cc(NC(=O)c2ccccc2-n2cnnn2)cc(OC)c1OC 14472974 CJGVTWCETYOZSV-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H]1c3cc(Br)ccc3OC[C@H]1CO2 6623939 GMUWEIQHPNRWBM-WKEGUHRASA-N 351.156 1.359 0 40 FDAB biogenic COc1cccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 4723184 KFXRJULLNTYPTI-UHFFFAOYSA-N 358.460 1.393 0 40 FDAB C[C@H](C(=O)NCC(=O)NCC(=O)O)c1ccc(-c2ccccc2)c(F)c1 6759809 HLORRYKAQDAZHE-LBPRGKRZSA-N 358.369 1.913 0 40 FDAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1 4852185 SSWFQAFVZOPYAW-UHFFFAOYSA-N 351.366 1.948 0 40 FDAB Nc1cc(N)nc(S[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n1 80338748 OAUHXXFDGPGASV-WFASDCNBSA-N 359.455 1.770 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1 9338081 HKNACVQAAVPXNP-UHFFFAOYSA-N 358.423 1.542 0 40 FDAB COc1ccccc1OCCN1C[C@@H](C(=O)Nc2cc(C)n(C)n2)CC1=O 96223604 ZTEIITVZJZFZGK-AWEZNQCLSA-N 372.425 1.603 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 16045528 MBYDSOGTRGIZOJ-BETUJISGSA-N 373.409 1.035 0 40 FDAB Cc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 16362662 AQHIBTAEEAQRHK-UHFFFAOYSA-N 361.467 1.924 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8328278 POPXWSQURWFMHF-LBPRGKRZSA-N 358.847 1.690 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)CNC(=O)c1ccccc1Br 9722318 XYFDKGDVMDRWAJ-UHFFFAOYSA-N 370.247 1.210 0 40 FDAB CN(CC(=O)NC1(C(=O)O)CCCCC1)S(=O)(=O)c1cccs1 72307156 YBQGGMSJYLCAHV-UHFFFAOYSA-N 360.457 1.272 0 40 FDAB C[C@H](C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)N1CCN(C)CC1 84070247 OUZAFCPRZLNYHG-CYBMUJFWSA-N 354.458 1.924 0 40 FDAB Cc1cccc(C(=O)N2CCCN(C(=O)CNC(=O)C3CCCC3)CC2)c1 72278410 WNHIUKOGTSCBCZ-UHFFFAOYSA-N 371.481 1.976 0 40 FDAB CCC(C)(C)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 84334339 RFMBQASVGXAQOQ-BETUJISGSA-N 351.451 1.829 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O)c(OC)c3)C2=O)o1 110185242 OCRSTLIVUOCYHF-GHXNOFRVSA-N 372.333 1.873 0 40 FDAB O=C(O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9912673 FOKQRBDTQMPRIN-HNNXBMFYSA-N 366.439 1.163 0 40 FDAB Cc1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)N(C)C)C2)n(C)n1 306142530 XCFFRNFWTDDHFJ-HNNXBMFYSA-N 359.478 1.218 0 40 FDAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)Cc1nnc(C)n12 306128968 HPSUXTHDRRZLGP-UHFFFAOYSA-N 353.470 1.901 0 40 FDAB C[C@H](C(=O)N1CCC(c2nn(C)c3ncccc23)CC1)N1CCOCC1 72341210 VXNHCIKBZBWITD-CQSZACIVSA-N 357.458 1.395 0 40 FDAB COc1ccc(CNC(=O)c2nc3ccccc3c(=O)n2C)cc1OC 32094288 VBXLKKKVZZORCJ-UHFFFAOYSA-N 353.378 1.881 0 40 FDAB COc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 36548216 CCOUWMFEJPMSFF-UGSOOPFHSA-N 353.422 1.853 0 40 FDAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ccccn2)CC1 72403045 CRKKJUMFITXQPJ-UHFFFAOYSA-N 363.421 1.600 0 40 FDAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)CNC)nc(C)n2)s1 72360933 RXKTXRVUNCEHOO-GFCCVEGCSA-N 361.475 1.825 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 44379221 AIICTNVPVPNSDQ-TZMCWYRMSA-N 368.455 1.307 0 40 FDAB O=C(c1cccs1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224319231 HHUSGAXPYXMQKT-UHFFFAOYSA-N 359.455 1.337 0 40 FDAB COC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226278039 NNWPIDJZWKDGBL-UHFFFAOYSA-N 359.348 1.750 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C)cc1-n1cnnn1 96191691 BRZCKPFRGILVLJ-MBNYWOFBSA-N 365.459 1.774 0 40 FDAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(OC)c1)C2 96108378 FEXNJZVRLGVLTE-WBVHZDCISA-N 354.472 1.083 0 40 FDAB CN(C)C(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(c1ncccn1)C2 96056097 HQBONFQMQHCHAO-JXFKEZNVSA-N 369.469 1.876 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccoc1)C2 96050149 TXUCHSJIOAQMCK-FQEVSTJZSA-N 367.405 1.760 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cncn1C 583619605 GABZURQTFMCKQS-KBXCAEBGSA-N 356.426 1.962 0 40 FDAB CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cncn21 248146799 VZKQMKOXBOMRKR-ZDUSSCGKSA-N 354.863 1.844 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@@H]1C[C@H]2C=C[C@H]1O2 247461628 BAPCDOLDFWIKOC-JFIYKMOQSA-N 361.405 1.794 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3cccnc3)C2)OC1 248104521 FNMCQSQLAJXKBM-QGZVFWFLSA-N 354.454 1.831 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 245226835 NWIQAZVQQALPMD-APYUEPQZSA-N 353.296 1.901 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)n1 253537451 ZNOHRZHVVHRBRE-MRXNPFEDSA-N 370.409 1.416 0 40 FDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(CC(=O)N(C)C)C2)n1 257257457 KPQLZKGKCAQYEX-AWEZNQCLSA-N 355.446 1.586 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4cnccn4)C3)ccnc12 257208087 BKRDUTXZSNIIKC-AWEZNQCLSA-N 365.441 1.601 0 40 FDAB Cc1ccc(C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cn1 257333297 YAZKMCHWCKIYDM-HNNXBMFYSA-N 358.442 1.502 0 40 FDAB COc1ccc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)cn1 253471393 BYGPGHFSJWYCDU-UHFFFAOYSA-N 351.370 1.141 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccncn3)CC[C@H]21 257280528 OLFWZLYTLWPVTG-ZHALLVOQSA-N 350.422 1.953 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCCn2nc(C)nc2C)[C@@H]1c1ccccc1C 257310208 UEDHPSYNTZCWNM-MJGOQNOKSA-N 369.469 1.929 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)CCn2nccc2C)nc1 257295480 QYLMGTPREOXPPL-GOSISDBHSA-N 355.442 1.976 0 40 FDAB Cn1cccc1C(=O)N1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257206658 BEKLWZVHPWNTOZ-GFCCVEGCSA-N 350.444 1.247 0 40 FDAB N=c1nn[nH]n1-c1cccc(C(=O)N2CCN(C3CC3)c3ccccc32)c1 635838810 BDUMCYFSKLIDKO-UHFFFAOYSA-N 361.409 1.704 0 40 FDAB COc1cc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)cc2c1OCO2 643755721 AOEONMFJBLPGDV-SFHVURJKSA-N 350.415 1.229 0 40 FDAB Cc1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)n(Cc2ccccc2)n1 644324870 VKKHYVVLLDVYOH-MRXNPFEDSA-N 356.426 1.552 0 40 FDAB CN1CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)Cc2ccccc21 654637435 JPTCRYUWSORQFJ-HNNXBMFYSA-N 356.430 1.818 0 40 FDAB Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 665458193 FTLZMEYOKQCRLX-GFCCVEGCSA-N 365.430 1.827 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cc(C(C)C)n(C)n2)C1 1775957306 MVXKWTGNIKWWBL-DOMZBBRYSA-N 358.446 1.683 0 40 FDAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cnccn4)CC3)[C@H]2C1 585106131 PSMHIJUATCHWMC-OAGGEKHMSA-N 371.485 1.175 0 40 FDAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106273 KODXCUUJHNQFGC-JQHSSLGASA-N 370.497 1.923 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585276283 FRKCYUJYRSSJJT-LJQANCHMSA-N 359.401 1.872 0 40 FDAB Cn1nnc2c1CC[C@@H](NC(=O)NCCc1ccc(-n3cccn3)cc1)C2 585090786 IRDFCPJRPCQGGC-OAHLLOKOSA-N 365.441 1.400 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2conc2-c2ccc(F)cc2)[C@@H]1O 585287036 RFFAYCDEDFXRIB-FMKPAKJESA-N 350.346 1.327 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@@H]12 585109235 DOKXYWMXPDMOPT-LMMKCTJWSA-N 372.396 1.894 0 40 FDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1 1615084227 HGWIRUQIYLURSF-IBGZPJMESA-N 360.458 1.175 0 40 FDAB CC[C@@H]1CN(C(=O)c2nccs2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594882 DENCHIQYDLSSCD-KLHDSHLOSA-N 367.515 1.713 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1OC 5008475 TXOMYOSWIGFYEP-CYBMUJFWSA-N 370.471 1.629 0 40 FDAB Cc1cc(C)n(CCC(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)n1 12120037 SSFKQXFJCMFDOD-ZBFHGGJFSA-N 355.442 1.470 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O 13009781 NAJJHGKTDDLUCP-UHFFFAOYSA-N 374.445 1.320 0 40 FDAB O=c1[nH]c(CN2CCN(C[C@@H](O)c3cccs3)CC2)nc2ccccc12 19375874 PCWCNWWJYBOXMQ-MRXNPFEDSA-N 370.478 1.836 0 40 FDAB C[C@@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19457896 ZLDPDYLBGSJSBA-HNNXBMFYSA-N 359.430 1.264 0 40 FDAB CN1C[C@@H](C(=O)NCC(F)(F)F)[C@@]2(CCc3ccccc3C(=O)N2)C1 19587077 ZPXYSTLURAYMOE-XJKSGUPXSA-N 355.360 1.342 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@@H]3C2)cc1=O 1888885450 JMTDFHNZEHXSLI-QWRGUYRKSA-N 370.438 1.063 0 40 FDAB Cc1cncnc1N1CCN(C(=O)c2ccc3nc(C4CC4)cn3n2)CC1 1888970065 ZRHBNRRGYJEVFM-UHFFFAOYSA-N 363.425 1.668 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1OC 21293260 NIDFICZYHWXAII-UHFFFAOYSA-N 368.440 1.585 0 40 FDAB O=S(=O)(c1cnoc1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565520888 YPTNRSVUDIIZAR-UHFFFAOYSA-N 364.427 1.822 0 40 FDAB O=C(C1CC(O)C1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@@H]2C1 1565551834 SSUBCRDMOFGXSK-HTWSVDAQSA-N 358.486 1.586 0 40 FDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1565542512 KKQFZABRKUYBNC-KBXCAEBGSA-N 373.482 1.544 0 40 FDAB CCCS(=O)(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1 11697145 LASFRMDXNUOMSR-UHFFFAOYSA-N 350.448 1.665 0 40 FDAB Cc1cccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1 2055781593 RQRDTTWJUBCDOU-UHFFFAOYSA-N 367.453 1.744 0 40 FDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cn(-c2cccnc2)nn1 575619611 XDGHDRRUWPJTJV-LBPRGKRZSA-N 367.365 1.475 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 12346898 VLMYMOTUFYTAQW-BBRMVZONSA-N 371.393 1.102 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C(N)=O)oc3ccccc23)C1 13790254 QFDGPEMJXYBTOW-SNVBAGLBSA-N 365.411 1.142 0 40 FDAB CCCN(C)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2N(C)C1)C(=O)N4 65748324 PSQLKUJBRLOLIQ-CBLJQSSYSA-N 355.438 1.412 0 40 FDAB in-vitro C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@@H]1O 100761972 RLUORQGMBKDXPO-COBHQMGQSA-N 352.434 1.675 0 40 FDAB biogenic Nc1nccnc1C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1 31767574 SHQYEGUUZPEMKK-UHFFFAOYSA-N 354.197 1.525 0 40 FDAB O=C(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 32101431 MSSPFFXWSLMQEF-LBPRGKRZSA-N 359.835 1.155 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccco1 20736557 DIWNAQNBNNROLR-ZDUSSCGKSA-N 371.349 1.135 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@H](C)c2ccco2)nc(=O)[nH]c1C 32747408 CEDVAQLIBCTTGC-MRVPVSSYSA-N 351.384 1.427 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)CC1 102581445 KANPYOBLKQGMFX-LLVKDONJSA-N 366.439 1.706 0 40 FDAB C[C@@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32975605 XJDLRSOQIBBZBA-MRXNPFEDSA-N 366.465 1.977 0 40 FDAB NC(=O)c1ccc(CNC(=O)CCc2nc(-c3ccccn3)no2)cc1 32913868 GTMZBOILRMCEHO-UHFFFAOYSA-N 351.366 1.480 0 40 FDAB NC(=O)C(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Br 2787713 TUICCANZPAYKDE-UHFFFAOYSA-N 357.595 1.771 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCOc2ccccc21 103363256 BBVCSJBDOMPUQI-IJEWVQPXSA-N 354.406 1.968 0 40 FDAB CCCn1nnnc1COC(=O)C1CCN(C(=O)c2cccs2)CC1 7379753 ABWIPJMQOVHOBN-UHFFFAOYSA-N 363.443 1.740 0 40 FDAB CCCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 900106 QAZQPAUGQVCESB-UHFFFAOYSA-N 356.444 1.201 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)Cn2cccn2)cc(C)c1C 24805952 TUEBPTNLNDKZDK-GFCCVEGCSA-N 350.444 1.227 0 40 FDAB Cn1c(N)c(-c2csc(COc3ccc(F)cc3)n2)c(=O)n(C)c1=O 12582199 DPNYPYSWDOWIRP-UHFFFAOYSA-N 362.386 1.508 0 40 FDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc(C2CC2)no1 55706428 LAXUODZVHVZCRI-QGZVFWFLSA-N 356.426 1.947 0 40 FDAB COc1ccc(-c2noc(COC(=O)c3ccc[nH]c3=O)n2)cc1OC 57476969 QMMIWGRAXMYUIH-UHFFFAOYSA-N 357.322 1.799 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612528 GIQLLFLQHRUZNF-CYBMUJFWSA-N 372.462 1.519 0 40 FDAB O=C(NCCc1ccc(F)cc1)C1CCN(c2ccc3nncn3n2)CC1 20723156 ATRONCNHKUNIDY-UHFFFAOYSA-N 368.416 1.839 0 40 FDAB COc1ccc(/C=C/C(=O)NCCn2nc3ccccn3c2=O)cc1OC 58231641 RCIHEJKEXVPMCE-VQHVLOKHSA-N 368.393 1.343 0 40 FDAB COc1ccc(CCN2CCN(C(=O)NCCc3cnn(C)c3)CC2)cc1 58210420 BNRCZYFWWOXZLO-UHFFFAOYSA-N 371.485 1.541 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccccc2)s1 48275019 NLWSLTUAULBIOT-UHFFFAOYSA-N 354.453 1.742 0 40 FDAB O=C(NCCc1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48234660 CHVMPTZSTAEGNP-UHFFFAOYSA-N 371.418 1.361 0 40 FDAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 23990417 QDSOCRXVPRYCJY-UHFFFAOYSA-N 374.418 1.791 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccccc1F 12794809 CARWBCVNLOUZQU-UHFFFAOYSA-N 360.389 1.625 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2ccccc12 12737419 HNDGLNSSJJXWSY-SWLSCSKDSA-N 356.426 1.451 0 40 FDAB CN(C)S(=O)(=O)c1cccc(Cn2c(NCCO)nc3ccccc32)c1 12755154 JADIXNRMBUYVAQ-UHFFFAOYSA-N 374.466 1.739 0 40 FDAB Cc1ccc([C@@H](C)NC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1C 12918501 QZKDBKYKJRNHCR-OAHLLOKOSA-N 351.410 1.923 0 40 FDAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNCCCO)cc12 3655832 AOUVFGQHLZLPOP-AWEZNQCLSA-N 364.442 1.375 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 13075222 HZSLOZDJSRETOD-QGZVFWFLSA-N 358.354 1.397 0 40 FDAB COc1ccc(NC(=O)CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 13570754 HSCCLGWNAJJLBJ-UHFFFAOYSA-N 366.377 1.229 0 40 FDAB Cc1cc(C)nc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 49514745 NHXNARQSZJKFGX-UHFFFAOYSA-N 366.468 1.149 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCC2)c1 6384745 XAKAAKCQZJOCMT-UHFFFAOYSA-N 354.428 1.153 0 40 FDAB O=C(COC(=O)/C=C/c1ccco1)NCCc1ccc2c(c1)OCCO2 14074019 UCJWYBMMUXBEKC-GQCTYLIASA-N 357.362 1.966 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 14167338 BNCWECNHSYHCQN-LLVKDONJSA-N 355.341 1.499 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCc2ccccc21 5654212 XBTSBFZVLKOTQB-UHFFFAOYSA-N 364.357 1.415 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 9114323 JSBSEWFKGCGYJI-GFCCVEGCSA-N 360.389 1.325 0 40 FDAB COCCNC(=O)NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5958974 KRXOHBSOYPEQBL-ZDUSSCGKSA-N 361.427 1.626 0 40 FDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1nc2ccccc2[nH]1 5983657 SVADMFHFBMKKPR-OAHLLOKOSA-N 357.395 1.594 0 40 FDAB CCCOc1cc(C)c(C)cc1S(=O)(=O)NCCN1CCOCC1 19619079 SGRULKULCYCVNF-UHFFFAOYSA-N 356.488 1.703 0 40 FDAB Cc1ccc(NC(=O)NC(=O)Cn2nnc3ccccc3c2=O)c(C)c1 7888210 ITRZXVUEQPYHFP-UHFFFAOYSA-N 351.366 1.757 0 40 FDAB Cc1ccc(C)c(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)c1 8098462 ORXWLVRJIUNSJL-UHFFFAOYSA-N 354.410 1.599 0 40 FDAB O=C(Nc1nn2cnnc2s1)[C@H]1CC(=O)N(CCc2ccccc2)C1 8324165 FWOYSLUKKBFXDN-LBPRGKRZSA-N 356.411 1.216 0 40 FDAB O=C1CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 217342766 AEBCRLXBHYROOD-MOPGFXCFSA-N 370.474 1.697 0 40 FDAB Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OC3CCCC3)CC2)c1 95369508 XRLRQFCDFFEQMW-UHFFFAOYSA-N 366.483 1.933 0 40 FDAB CCN(CC)CCN(CC(C)C)c1ncnc2c1cnn2CC(=O)OC 84771269 VWQVKXQUTDDMQK-UHFFFAOYSA-N 362.478 1.804 0 40 FDAB COCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941569 BTETZBBLJCKGRB-JTQLQIEISA-N 364.851 1.266 0 40 FDAB O=C(CCCn1cnc2ccccc2c1=O)Nc1nc([C@H]2CCCO2)n[nH]1 95474443 ZCWZXGZYOOMJGM-CQSZACIVSA-N 368.397 1.785 0 40 FDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1 89368748 MQWYIPHHYLNZJS-DGCLKSJQSA-N 355.460 1.018 0 40 FDAB Cc1cc(OCC(=O)NCCCN2CCOCC2)c2c(C)cc(=O)oc2c1 20546919 KTWFGPYIIFYVOC-UHFFFAOYSA-N 374.437 1.627 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(N)=O 28196412 SUGMEYQHAFGHSN-UHFFFAOYSA-N 363.317 1.823 0 40 FDAB C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c2cccnc12 547763760 FVPAAWBIVRGLIW-OAHLLOKOSA-N 364.453 1.898 0 40 FDAB CC(C)CC(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306142968 XPKZEAQSQHHTAI-INIZCTEOSA-N 366.483 1.660 0 40 FDAB Cc1occc1-c1nn2c(C3CCN(S(C)(=O)=O)CC3)nnc2s1 1501040239 HTVMKIXQAISJHQ-UHFFFAOYSA-N 367.456 1.893 0 40 FDAB O=S1(=O)CCC(O)(CN2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 517721051 PPOUHZHQVDBOPC-OAHLLOKOSA-N 359.438 1.911 0 40 FDAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc2c(c1)NC(=O)CO2 524734911 IMCUFGOUFKNCLJ-ZDUSSCGKSA-N 370.394 1.684 0 40 FDAB CC(=O)N1CCN(C(=O)Cc2csc(C)n2)C[C@H](Cc2ccccn2)C1 72353576 KKRTWQRQNRVLAT-MRXNPFEDSA-N 372.494 1.939 0 40 FDAB CN(C)C(=O)COc1ccc(NC(=O)c2cc(O)nc3ncn(C)c23)cc1 553268195 BREACTBPWMZCLP-UHFFFAOYSA-N 369.381 1.393 0 40 FDAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2ccccc2)c1 33740850 AZIXJYIKHZQEAO-UHFFFAOYSA-N 357.366 1.397 0 40 FDAB Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2C)cc(N(C)C)n1 44213709 YEUXEWXPLWSHGR-UHFFFAOYSA-N 367.450 1.689 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4c(C)noc4C)nnc23)n1 225748015 UIHRFFKRNVAFRR-UHFFFAOYSA-N 353.342 1.623 0 40 FDAB CC1CCN(CCCCNS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 40157089 CSXVCCKDLJCPIW-UHFFFAOYSA-N 353.488 1.576 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)cc1 80302649 ULFSAWVFIHAEHK-AWEZNQCLSA-N 350.444 1.065 0 40 FDAB COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)n(C)c2c1 85876147 HWWROTBVETUCLR-ZDUSSCGKSA-N 366.373 1.985 0 40 FDAB biogenic Cc1cnc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)cn1 96208115 CHEWNBQYRCDGTA-ACJLOTCBSA-N 355.398 1.377 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)c(C)o1 96199808 LOQBLUXATKDZCF-MRXNPFEDSA-N 356.426 1.908 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)cn1 96159002 LHDOXAGWQBMFQO-UHFFFAOYSA-N 353.426 1.692 0 40 FDAB COc1cc(N2CC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)ncn1 96159451 NZHFVEPJCOSJFX-KRWDZBQOSA-N 359.455 1.879 0 40 FDAB O=C(c1cccs1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96197572 KSVSESIXVROGCM-UHFFFAOYSA-N 358.467 1.947 0 40 FDAB O=C(c1c[nH]cn1)N1CCOC[C@@]2(C[C@H](CNc3ccccn3)CO2)C1 96240468 CUHMVRXQCWRHSY-RDTXWAMCSA-N 357.414 1.165 0 40 FDAB COc1ccc(C[C@H](C)CNS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 581546103 VDFREROOLWVMDR-DZGCQCFKSA-N 370.471 1.505 0 40 FDAB O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040425 ZYJHYZIUQMVHDU-QFBILLFUSA-N 354.410 1.962 0 40 FDAB Cc1ccc(N[C@H]2CO[C@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)nn1 96073792 PXEKJIHYFCZIMQ-CZUORRHYSA-N 352.460 1.313 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)C1 248163726 YWMLTYUQXPFEHA-QAETUUGQSA-N 360.502 1.739 0 40 FDAB O=S1(=O)CC[C@H](COCc2cccnc2)C12CN(Cc1ccncc1)C2 247351383 VZHOAEZRCZRAAA-GOSISDBHSA-N 373.478 1.683 0 40 FDAB O=C(NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1)C1CC1 247489551 LWTOZCFNZOOQDP-OAHLLOKOSA-N 368.437 1.770 0 40 FDAB CC(=O)N1[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257265267 LXYFIDHFZOTQPI-TWFHAPMSSA-N 369.465 1.807 0 40 FDAB CCN1CCC(C(=O)N2CC3(C[C@H](Oc4cncc(C)n4)CCO3)C2)CC1 253601221 MNPKNGOQYOOPOT-QGZVFWFLSA-N 374.485 1.656 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2cnccn2)C3)nc1 253600618 UMULMOBRVJMWCY-CQSZACIVSA-N 354.414 1.308 0 40 FDAB Cc1cc(=O)c(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)cn1C1CC1 1775959928 HWPYGSDFIKMAQP-GDBMZVCRSA-N 355.442 1.053 0 40 FDAB Cn1[nH]c(CN2CCC3(CCN(Cc4ccccc4)CC3)CC2)nc1=O 639726979 RGXPGICZTBUCKT-UHFFFAOYSA-N 355.486 1.987 0 40 FDAB Cc1cccc(C)c1-n1nnnc1CN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643962991 KEBIRZBVZODRMD-BBWFWOEESA-N 356.474 1.356 0 40 FDAB Cc1cc(=NC(=O)[C@H]2Cn3c(C)nnc3CN2C)[nH]n1C1CCCCC1 644468746 CLECDTUEYZFDPS-OAHLLOKOSA-N 357.462 1.471 0 40 FDAB O=S(=O)(CCc1ccc(F)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 656957536 VAQKFKTUJKECGU-DLBZAZTESA-N 356.463 1.229 0 40 FDAB O=C(CN1C(=O)CCc2ccccc21)N[C@H](Cc1ccncc1)C(=O)O 655598766 NNPHCSOYSZXLSA-OAHLLOKOSA-N 353.378 1.173 0 40 FDAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4c(C)noc4C)CC3)[C@H]2C1 585106250 IHQDEMRXOCFLSV-CVEARBPZSA-N 374.485 1.744 0 40 FDAB CNc1cnc(C(=O)N2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)nc1 585279481 ZPMUEHVLPRIVNZ-IBGZPJMESA-N 356.426 1.273 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(C2OCCO2)cc1 51378628 PRDUKEUSPMVTJW-UHFFFAOYSA-N 365.393 1.567 0 40 FDAB CN(Cc1ccccc1N1CCCC1)C(=O)CN1CCCC[C@H](O)C1=O 644283480 BASDXKLQQSHFPA-SFHVURJKSA-N 359.470 1.619 0 40 FDAB CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCOCC3)c(=O)c21 12142699 AHIGTPBLRKDYEK-UHFFFAOYSA-N 360.439 1.600 0 40 FDAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)NC[C@@H]1COCCO1 12187233 XGVNGJMOEKSJIB-GFCCVEGCSA-N 357.332 1.977 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)COC)cc1 13633416 FIFUAIUGRHSALJ-ZDUSSCGKSA-N 358.460 1.247 0 40 FDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 14201441 QERRJJISNSRWAA-ZDUSSCGKSA-N 368.455 1.346 0 40 FDAB Cc1nc(C)n(CC(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)n1 19285730 KHRNZNGZXUQHND-IBGZPJMESA-N 369.425 1.079 0 40 FDAB CN=c1ncc(CN2C[C@@H](OC)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 643586037 RILHJOYONZUYPL-QWFCFKBJSA-N 354.454 1.714 0 40 FDAB CCc1sc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cc1C 681941965 SQMRHGLIYKBNOC-ZDUSSCGKSA-N 368.455 1.393 0 40 FDAB O=C(NC1CCCC1)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888856934 XMEXQBJGMXXGDV-INIZCTEOSA-N 367.453 1.999 0 40 FDAB COc1ccccc1NC(=O)CN1CCO[C@H](C(=O)N2CCCCC2)C1 1888929664 NZIVGAILJRUGDA-KRWDZBQOSA-N 361.442 1.347 0 40 FDAB O=C(NCC1(O)CSCCSC1)c1cc(=O)c2ccccc2o1 1889108835 GGRDMISYNBIDQX-UHFFFAOYSA-N 351.449 1.734 0 40 FDAB O=c1c2ccc(F)cc2ncn1CC1CCN(CCn2nccn2)CC1 1849467950 FDJKQXCHNDGTJG-UHFFFAOYSA-N 356.405 1.539 0 40 FDAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 21493425 LJCCLLPVIPUFET-GFCCVEGCSA-N 360.366 1.811 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cccc(=O)n4C)C[C@@H]3C2)cs1 1565542670 UCRBVZPSCCHJSZ-KBPBESRZSA-N 358.467 1.354 0 40 FDAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)NC[C@H]1CCCO1 4377063 UTPIDRNJJFRKSE-CYBMUJFWSA-N 370.438 1.574 0 40 FDAB CC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 11856880 ICTISMJLWRJEDD-UHFFFAOYSA-N 374.368 1.662 0 40 FDAB Cc1csc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)c1 2055785292 REMYTRINEPYILG-YOEHRIQHSA-N 365.455 1.615 0 40 FDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccc(F)c(F)c2)C3)CC1 2055713797 MDXMCSJJUNEUCG-UHFFFAOYSA-N 361.440 1.925 0 40 FDAB O=C(O[C@@H]1CCOC1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585396721 ALGYQOTZCZAXDK-DOMZBBRYSA-N 357.403 1.913 0 40 FDAB O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1ccc2c(c1)CCO2 606440594 GFVPRDHZPQEBOL-INIZCTEOSA-N 369.464 1.712 0 40 FDAB COC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCN(C(C)=O)C2 11695073 FPRHZJOQOMWCCI-UHFFFAOYSA-N 362.411 1.425 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nccnc2N)cc1 11668668 MDHNKISNYJAFBH-UHFFFAOYSA-N 363.443 1.019 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)n1 40090133 UMHDIFXIOIVFEO-UHFFFAOYSA-N 374.426 1.484 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1nnc2ccccn12 101414023 ICTZWBKWHQVOPT-ZDUSSCGKSA-N 364.365 1.136 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCO[C@H](C)C3)cc(C(C)C)nc21 32471231 IEXCGWLJYCJFIH-LLVKDONJSA-N 360.414 1.089 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1cccc(OC)c1 41154581 WIDQGMPKFHEWDO-AWEZNQCLSA-N 368.455 1.226 0 40 FDAB Cc1ccc(C(=O)COC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)s1 32865465 BOAABTOWEXKZJU-UHFFFAOYSA-N 358.375 1.486 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)CCCCCNC(N)=O)cc1F 32909976 LYEIZNTWMZFCQU-UHFFFAOYSA-N 352.410 1.209 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)C1 33005325 MKLJYKIOGLTMOH-HIFRSBDPSA-N 350.415 1.836 0 40 FDAB O=C(CCCNC(=O)c1ccco1)OCc1cc(=O)n2ccccc2n1 18961136 OSOTWZHRMULGIQ-UHFFFAOYSA-N 355.350 1.541 0 40 FDAB CCCCN(Cn1nnc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 22010766 VOISBNOEYWPFQZ-ZDUSSCGKSA-N 350.444 1.038 0 40 FDAB C[C@H](CCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 1570645 MPQWSYJGFLADEW-SJKOYZFVSA-N 372.421 1.864 0 40 FDAB in-man COc1ccc([C@@H]2c3c(n[nH]c3C)Nc3c2c(=O)n(C)c(=O)n3C)cc1O 79489047 PBHZQIDPRIZCMZ-CYBMUJFWSA-N 369.381 1.067 0 40 FDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OCCO2 2664155 JMNWRVGYPDGPCI-UHFFFAOYSA-N 353.338 1.451 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OC 3377746 CBPWQOQEKDOHOM-VQHVLOKHSA-N 364.398 1.885 0 40 FDAB CCN1CCN(C(=O)C2CCN(Cc3ccc(O)c(OC)c3)CC2)CC1 819213 KEGODSXPGCKUPR-UHFFFAOYSA-N 361.486 1.777 0 40 FDAB CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C 8087459 AUUCKAFIMGKVFA-HNNXBMFYSA-N 355.460 1.473 0 40 FDAB C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)N1CCCC1 12549997 UTJNCHLBGNQKGK-OAHLLOKOSA-N 360.458 1.380 0 40 FDAB CCOC(=O)COc1cc(OCC(=O)OCC)c2c(C)cc(=O)oc2c1 1322162 XJNFKXBKKCATLW-UHFFFAOYSA-N 364.350 1.985 0 40 FDAB biogenic CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2C(=O)O)c1 12505093 UREUMSFJBUGFOJ-LBPRGKRZSA-N 360.819 1.280 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ncsc3c2)cc1 9576284 ZZOJDGPKARQYDW-UHFFFAOYSA-N 361.448 1.916 0 40 FDAB COc1cccc(C(=O)N2CCCN(C(=O)c3cccc[n+]3[O-])CC2)c1 55699989 VUFFHMSNJFBLSH-UHFFFAOYSA-N 355.394 1.317 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 108535946 OJMDBLSOROFFFL-UHFFFAOYSA-N 354.447 1.990 0 40 FDAB CCOC(=O)[C@H](C)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 72309057 KVLVGKAWTGSZMT-IXDOHACOSA-N 353.507 1.308 0 40 FDAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 27935998 DJLIAANEYRTTRG-UHFFFAOYSA-N 370.331 1.788 0 40 FDAB O=C(Nc1cccc(CN2CCOCC2)c1)c1sccc1-n1cnnn1 58186397 XYWONCLNXOOMPL-UHFFFAOYSA-N 370.438 1.808 0 40 FDAB Cn1cc(-c2nc(C(=O)OCc3cccc(OCC(N)=O)c3)cs2)cn1 58191240 GJDGOYJVXQDJKL-UHFFFAOYSA-N 372.406 1.765 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccccc1F)c1ccc(F)cc1F 58264381 OPTBWWFIUIHBRK-UHFFFAOYSA-N 358.341 1.812 0 40 FDAB CCNC(=O)C1(NC(=O)c2cccc(N3CCNC3=O)c2)CCCCC1 58225950 GFDPXOXCTDFREB-UHFFFAOYSA-N 358.442 1.785 0 40 FDAB COCCn1nc(C(=O)NCCCn2cnc3ccccc32)ccc1=O 24660295 GTUTYIBLOVHOHZ-UHFFFAOYSA-N 355.398 1.060 0 40 FDAB CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 97165297 VOXOBSSUBKFBDQ-UHFFFAOYSA-N 355.441 1.523 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)c2cccc(-n3cnnn3)c2)cc1F 28000827 XPBLYHBXQINDQL-UHFFFAOYSA-N 368.372 1.270 0 40 FDAB CNC(=O)COc1ccc(CN2C(=O)[C@@H](CCSC)NC2=S)cc1 55180162 ZWPPBLQLVHPODI-CYBMUJFWSA-N 367.496 1.150 0 40 FDAB O=C(Nn1c(=O)oc2ccccc2c1=O)c1ccc(Br)o1 12769537 MLMPANDNZFDPQG-UHFFFAOYSA-N 351.112 1.694 0 40 FDAB Cc1cc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)n(C)n1 59735003 HLHUSTBFLGRVKS-UHFFFAOYSA-N 354.332 1.907 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)OC)cn1C 48355256 YKQKGCMSAQZYBY-UHFFFAOYSA-N 369.374 1.111 0 40 FDAB COc1ccccc1CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8982054 TWWQOFACUNXXAC-VBKZILBWSA-N 373.453 1.855 0 40 FDAB O=C(NCCCO)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146905 DPKORWZVGGEZEH-UHFFFAOYSA-N 352.387 1.739 0 40 FDAB COc1cc(C)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1OC 14050540 JWPKKYUBDPETTB-UHFFFAOYSA-N 371.397 1.484 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@@H]2COCc1ccncc1)C(F)(F)F 306124624 BUUVFNKZTNXDCE-GFCCVEGCSA-N 366.361 1.539 0 40 FDAB COC(=O)C1=NO[C@@]2(CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 4744997 QFUYYJMZPSFFPR-CQSZACIVSA-N 357.149 1.945 0 40 FDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(N)=O 5992124 RVXOLDWVHALSSE-JTQLQIEISA-N 366.370 1.657 0 40 FDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2ccccn2)CC1 7448813 NWCMAYUMUCCRNM-LJQANCHMSA-N 366.465 1.520 0 40 FDAB O=C(Cn1nc(O)ccc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7942660 ZBQGXWXDVGAHFZ-GFCCVEGCSA-N 370.434 1.965 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2NC1=O 8133186 CMCSPMRKFNXORZ-JTQLQIEISA-N 372.381 1.209 0 40 FDAB CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1 17303829 NAHNPXUXHIUCQG-UHFFFAOYSA-N 362.386 1.961 0 40 FDAB Cc1csc(NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)n1 17600458 MBAYGPKQSXWXFB-UHFFFAOYSA-N 361.379 1.931 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 8720265 BTNIZMRBTSFKNO-UHFFFAOYSA-N 373.434 1.739 0 40 FDAB O=C(CN[C@H](c1ccccc1)c1ccccn1)N[C@@H]1CCS(=O)(=O)C1 96791944 KQOZAYADMGCFKJ-CRAIPNDOSA-N 359.451 1.064 0 40 FDAB 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351.407 1.071 0 40 FDAB CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1cc(C)ccc1C 260822932 CVSDFXVMKVXEAD-OAHLLOKOSA-N 354.472 1.609 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C(=O)O)C2)[C@@H]1Oc1ccccc1 666543322 VDYRDJIGMYSHTM-FZKCQIBNSA-N 364.398 1.106 0 40 FDAB CN(C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1nccn1C)c1ccccn1 1775959597 JKKPROCLDAVWIV-YOEHRIQHSA-N 353.426 1.920 0 40 FDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc2cccnc12 647928110 DWWXDSAXFILWAR-MRXNPFEDSA-N 371.418 1.745 0 40 FDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@H](CC(=O)N3CCC3)C2)cc1 575406820 UUHKJSKORJGRMO-MRXNPFEDSA-N 374.466 1.560 0 40 FDAB Cc1cccc(CC(=O)N2CCOC[C@@](O)(COc3ccccc3C)C2)n1 585278547 UMHLGZKWWJCHTF-OAQYLSRUSA-N 370.449 1.910 0 40 FDAB Nc1nccnc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002501 UNJULRGEXNTZEJ-GFCCVEGCSA-N 353.361 1.201 0 40 FDAB O=C1NCC(=O)N2[C](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]12 1560411739 LJGZFZCRJYLFIG-OAHLLOKOSA-N 374.376 1.708 0 40 FDAB Cn1ccnc1[C@]1(O)COC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1 12116245 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O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 10151722 WMGBNUHUNCSNIF-CVEARBPZSA-N 372.421 1.727 0 40 FDAB CC(=O)N[C@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(C)C 11006326 CWILBFZOOBJRNL-SFHVURJKSA-N 363.433 1.838 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 48342298 MUKSAOWHPWDKIU-HNNXBMFYSA-N 354.447 1.788 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(N)=O)cc2)cc1 12972853 KQLREKYGEQERCV-UHFFFAOYSA-N 362.407 1.393 0 40 FDAB CC[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O 8972976 YKQHVEIPEJXFSF-HNNXBMFYSA-N 363.377 1.578 0 40 FDAB Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 13183242 SIDUYQPLTZYPIN-MRXNPFEDSA-N 374.418 1.984 0 40 FDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnc2n(c1=O)CCS2 14137036 LZUSRQFFWKMEBM-UHFFFAOYSA-N 353.306 1.923 0 40 FDAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(C(N)=O)cc2)c1C 72002001 ROWSRENYUATFRX-UHFFFAOYSA-N 350.444 1.288 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(F)cc1 8007348 TXRTXBPWQNZAEU-UHFFFAOYSA-N 353.353 1.836 0 40 FDAB O=C1N=C(O)C2(C(=O)N1)[C@H](c1ccccc1)NC(=O)N[C@H]2c1ccccc1 17028596 QJZZISOREAJUOC-KBPBESRZSA-N 364.361 1.975 0 40 FDAB COC(=O)c1nc(NC(=O)c2ccc3nnnn3c2)sc1CC(C)C 72405739 OBJBSUSIBLFFBD-UHFFFAOYSA-N 360.399 1.818 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 84583104 PKDBTUPSXOVQMO-WDEREUQCSA-N 358.316 1.353 0 40 FDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2cc3c(cc2[nH]c1=O)OCO3 85875493 XMKAZBVZIMZZKJ-JTQLQIEISA-N 371.349 1.689 0 40 FDAB biogenic O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 25071968 MFZSGRFNHQLNKK-OAHLLOKOSA-N 352.387 1.888 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(C3CCOCC3)C[C@H]12)c1ccccc1 306131698 KNEMWSDRPKXBEF-BMGDILEWSA-N 366.483 1.091 0 40 FDAB Cc1ccc(N2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nn1 306136661 PZJQWFUWWPQQLX-HNNXBMFYSA-N 365.441 1.658 0 40 FDAB CCn1cnc2c(NCc3ccc(C(=O)N4CCOCC4)cc3)ncnc21 520321518 WZNNOMFQFMVZMH-UHFFFAOYSA-N 366.425 1.931 0 40 FDAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 524733872 XSWQAHTYWSHCKT-GFCCVEGCSA-N 353.378 1.325 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)COCc1ncc(-c3ccc(F)cc3)n12 306131909 KSORMKKMNIODDI-UHFFFAOYSA-N 365.430 1.970 0 40 FDAB CC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(OCCO)c(OC)c2)CC(=O)N1 542654021 CJVBFVUODJWRLS-AEGPPILISA-N 364.442 1.548 0 40 FDAB COc1ccc(-c2nnn(CC(=O)Nc3nnc(C)s3)n2)cc1OC 35288585 ZRKSCGVSGCSKKF-UHFFFAOYSA-N 361.387 1.156 0 40 FDAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc2c(c1)OCCO2 1565523636 VLGSJFNAXLZYEW-QGZVFWFLSA-N 365.407 1.553 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1=O 32859571 DFYUAFNHSJWLDH-LLVKDONJSA-N 361.398 1.703 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCCc1ccccc1 217590373 XXWSJSNUDGVCHE-UHFFFAOYSA-N 364.423 1.310 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1OC 224194864 VCJRDKHUERHLFF-UHFFFAOYSA-N 352.416 1.038 0 40 FDAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1 224315843 FBWHFSZKXACNDX-UHFFFAOYSA-N 353.473 1.115 0 40 FDAB COC(=O)c1ccc(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)cc1 225776907 ZWCVMFWCBFVNQX-UHFFFAOYSA-N 363.373 1.680 0 40 FDAB COC(=O)CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 95479797 XDVGEZJJUIUSOM-UHFFFAOYSA-N 366.373 1.902 0 40 FDAB CCNC(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96266201 KRVQMYASWCLMRU-UHFFFAOYSA-N 360.439 1.536 0 40 FDAB CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(c1ccc(C)nn1)CC2 96069759 ZKNZIEYBDBSZHK-INIZCTEOSA-N 354.458 1.894 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 247923907 DBLDEHNTFOYIAL-OAHLLOKOSA-N 360.389 1.293 0 40 FDAB CC(=O)Nc1cc(CCC2CCN(S(=O)(=O)N(C)C)CC2)ccn1 257343299 ZSIBSCWSIHTRLN-UHFFFAOYSA-N 354.476 1.491 0 40 FDAB O=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CCCC1 257284584 PDGNPEKVYJSVDU-FQEVSTJZSA-N 358.482 1.794 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)[nH]n1 257274107 NJPCMEFFUBRPLE-ZDUSSCGKSA-N 359.430 1.677 0 40 FDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3cc4ccccc4s3)C2)CC1 257275640 NQFDOCRLBOARDI-LJQANCHMSA-N 359.495 1.726 0 40 FDAB C[S@](=O)C1(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CCNCC1 602520051 GNVOJBIYHRVIQF-MQNRADLISA-N 361.467 1.575 0 40 FDAB C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C[C@H]1C(=O)O 659064591 OFNXWWLUSKFQLB-IINYFYTJSA-N 357.366 1.036 0 40 FDAB Cc1nnc2ccc(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nn12 585149505 YHLMKLJGNMNWNL-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(CCC(=O)OC(C)(C)C)CC1 71792455 PVQFXYQITVSUBM-UHFFFAOYSA-N 351.447 1.710 0 40 FDAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N2CCOCC2)n1 49411157 XBOYXLWJZVKPQW-UHFFFAOYSA-N 370.453 1.898 0 40 FDAB O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCc2ncccc2F)C1 96005509 RXQQLNXWVGOSKB-CQSZACIVSA-N 369.462 1.821 0 40 FDAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC(C)C)nc12)OCO3 12181233 ACNGNJFGWZTYMQ-UHFFFAOYSA-N 356.382 1.465 0 40 FDAB O=c1n(CCN2CCCCC2)nc2n1-c1cc(Cl)ccc1C1=NCCN12 12184202 LOPKUTUBKOLNMX-UHFFFAOYSA-N 372.860 1.754 0 40 FDAB CC1(C)C[C@@H]1C(=O)N/C(=C/CCCCSC[C@@H](N)C(=O)O)C(=O)O 13549848 DHSUYTOATWAVLW-ZOINEBSPSA-N 358.460 1.433 0 40 FDAB COc1cc(C(=O)NCCC(C)C)c(N(C)S(C)(=O)=O)cc1OC 13582704 WKOVZDQTUSBIMS-UHFFFAOYSA-N 358.460 1.876 0 40 FDAB Cc1ccnn1CCNC(=O)/C=C/S(=O)(=O)c1ccc(Cl)cc1 14000493 BOOIHGNOSKPGNU-YRNVUSSQSA-N 353.831 1.949 0 40 FDAB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1 15787058 XXZFICOLWSHKIQ-UHFFFAOYSA-N 359.411 1.540 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@H]2[C@H]1O[C@H](c1ccccc1)O[C@@H]2CO 18096930 WZACICAIHONNQP-XAWFRAJHSA-N 358.390 1.937 0 40 FDAB in-vitro CC(=O)c1nnn(-c2ccc(F)cc2)c1N1CCC(N2CCOCC2)CC1 19023082 NWYHCCAHOJSUSY-UHFFFAOYSA-N 373.432 1.910 0 40 FDAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCN(c2ccc(F)cc2)CC1 19657989 QEVFBJMOFLMRFL-IBGZPJMESA-N 371.460 1.835 0 40 FDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2ncnc2C1 644435575 QTFHRZPMLRCYIQ-LJQANCHMSA-N 355.442 1.038 0 40 FDAB O=C(N1CCN(c2ncccn2)CC1)C1(c2ccccc2)CCOCC1 32658103 FRHBPGITHUFBEJ-UHFFFAOYSA-N 352.438 1.874 0 40 FDAB O=C1CC[C@H](C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)CN1 390832206 YAGYOKPRVLTMPS-HNNXBMFYSA-N 364.467 1.119 0 40 FDAB O=S(=O)(c1cccc(Cl)c1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1256744244 WJDJYUNWRRDSIB-BETUJISGSA-N 364.858 1.887 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(c4ncncc4F)CC3)nc2)cn1 1889148821 ACSZSQUKJZMMNF-UHFFFAOYSA-N 355.377 1.854 0 40 FDAB O=C(N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21)C1(F)CCC1 1565549263 SUROLTBJDQSFFK-PMPSAXMXSA-N 351.422 1.940 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)[C@]1(C)CC=CCC1)OC2 1565548223 VIESUZOYKLZAFO-BFUOFWGJSA-N 360.458 1.853 0 40 FDAB O=C1N[C@H]2CCCC[C@@H]2N[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 4487600 ROUPVEVEXKIBOB-FHWLQOOXSA-N 370.497 1.120 0 40 FDAB Cn1c(=O)c2c(SCC(=O)OCc3ccccc3)ccnc2n(C)c1=O 4942231 XQVAJSHVGXTGLU-UHFFFAOYSA-N 371.418 1.468 0 40 FDAB COc1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccn2)CCO3)on1 2055793355 SKGNFUPLJYJKQV-LJQANCHMSA-N 372.425 1.980 0 40 FDAB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccccc1F 19879760 YQAKOICDJOMFQO-GFCCVEGCSA-N 357.359 1.388 0 40 FDAB CC(C)COc1ccc(C(=O)NCCOCCN2C(=O)CCC2=O)cn1 1775966046 QFZKZKZIUAQILR-UHFFFAOYSA-N 363.414 1.012 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cc1 23180354 SGOVAGLBWBGJMD-SFHVURJKSA-N 361.467 1.742 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(Cc5noc(C)n5)C[C@@H]4C3)ncnc21 2086865162 QPRWFZKKWLNTFJ-BETUJISGSA-N 354.418 1.106 0 40 FDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccc(F)cc2)c1=O 38486398 YWVRITPAXCQEBR-UHFFFAOYSA-N 373.384 1.778 0 40 FDAB CCn1ccc(C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)n1 575616175 HTYQMZXQUHUPPJ-UHFFFAOYSA-N 368.397 1.191 0 40 FDAB CCOC(=O)Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945203 RVGDHAALBMAEEA-UHFFFAOYSA-N 373.413 1.136 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C 19556510 JFIFWKRUYUJPCK-KRWDZBQOSA-N 354.458 1.608 0 40 FDAB C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@]3(O)C(=O)CO)[C@]2(C)C=CC(=O)C=C12 7997587 VHRSUDSXCMQTMA-XBPWWSPHSA-N 374.477 1.804 0 40 FDAB CC[C@@H](/C=C/C(=O)N1CCc2ccccc21)NC(=O)C1(N)CCOCC1 147139947 IVMRHVTWOHFAKG-WAVCKPEOSA-N 357.454 1.535 0 40 FDAB O=C(CS(=O)(=O)Cc1nc(-c2ccccc2)no1)NCc1ccccc1 40070219 PANRXNPGIMNODN-UHFFFAOYSA-N 371.418 1.968 0 40 FDAB CCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OCc1cccnc1 31893416 HZMHNDNXRYVFOO-UHFFFAOYSA-N 355.394 1.631 0 40 FDAB NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 52640780 UMOFDFCFZVOYAB-INIZCTEOSA-N 367.405 1.663 0 40 FDAB Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)ccc1F 78529893 OLGSVDUHEPGSGG-AWEZNQCLSA-N 358.460 1.724 0 40 FDAB CCN1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884652 RZXDLOXJDMNYRB-IPJQOSJUSA-N 350.802 1.537 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N(C)c1ccccc1 6354330 CPIXXROTTKZNDW-CYBMUJFWSA-N 366.373 1.877 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6553667 JABLPVJQZNXTBC-UHFFFAOYSA-N 352.272 1.675 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1 6955865 ULWVRQRXEFCHRB-NSHDSACASA-N 353.831 1.718 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3cc(C)on3)c(=O)c12 7553428 VRRDIPAHZMTDKS-UHFFFAOYSA-N 360.326 1.410 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2cccs2)oc1=O 24727826 HPTVFKFWUYLTBI-SNVBAGLBSA-N 353.400 1.269 0 40 FDAB Cn1cc(/C=c2\sc3n(c2=O)[C@@H]2C[C@@](C)(N=3)Oc3ccccc32)cn1 102608439 TWLDDYRKNOLICQ-YYSINBOYSA-N 352.419 1.193 0 40 FDAB Cc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O 12569294 PFQDYVHGQWLCLV-UHFFFAOYSA-N 373.434 1.746 0 40 FDAB O=C(c1ccco1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134561 DMSCSDQQVRQRMJ-UHFFFAOYSA-N 356.361 1.352 0 40 FDAB O=C1N=C(O)C[C@@H]1N(C(=O)CN1C(=O)CSc2ccccc21)C1CC1 58174173 QWGFBHQAHKLCHW-LBPRGKRZSA-N 359.407 1.372 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCn3nccc32)cc1 58156652 IDZBSMIEHZQODI-UHFFFAOYSA-N 362.455 1.964 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 27673992 RQWCJRHQYXDWLX-IBGZPJMESA-N 367.449 1.434 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 58265112 IPKWCKNZZORKTF-NJAFHUGGSA-N 371.481 1.499 0 40 FDAB CN1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 58373156 BDOBXFXSDNHCJS-UHFFFAOYSA-N 362.433 1.832 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1 3348809 QWNIBHPNYYQVID-AATRIKPKSA-N 352.437 1.887 0 40 FDAB Cc1ccnn1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 28576347 CZULECRSFBKEPW-UHFFFAOYSA-N 350.425 1.843 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)ccn1 48314782 JPDUPAIVHRMVOH-GFCCVEGCSA-N 353.382 1.603 0 40 FDAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(S(C)(=O)=O)cc1 12910542 VEDXWPMWECSMLO-NSHDSACASA-N 374.418 1.912 0 40 FDAB COCCNC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8981751 IYIPOLJZPULHMG-AWEZNQCLSA-N 363.414 1.067 0 40 FDAB CC(=O)c1ccccc1NC(=O)[C@H](C)SCc1nc(N)nc(N(C)C)n1 9722747 AVGWVZVCIBLQKU-NSHDSACASA-N 374.470 1.983 0 40 FDAB COc1cc2nc(CN3CCN(CC(C)C)CC3)[nH]c(=O)c2cc1OC 49969866 OWXZHZUTUZFCKI-UHFFFAOYSA-N 360.458 1.714 0 40 FDAB CN(C(=O)CSc1nnc(-c2cccs2)o1)[C@H]1CCS(=O)(=O)C1 6462823 LWFLRWMMGUBKCP-VIFPVBQESA-N 373.481 1.536 0 40 FDAB CN1CCc2nc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)sc2C1 14184655 GELVZWAJMVVOOB-UHFFFAOYSA-N 369.450 1.939 0 40 FDAB O=C(COC(=O)/C=C/c1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 6643917 ZUWSODKUDXASKC-BTDICHCPSA-N 357.815 1.200 0 40 FDAB Cc1ncsc1CN1CCOC[C@]2(CC[C@@H](CN3CCOCC3)O2)C1 306138407 RWWZSWKCZUVEKH-WMZOPIPTSA-N 367.515 1.534 0 40 FDAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 24051149 UQRFWNHBRLJTCG-UHFFFAOYSA-N 362.407 1.961 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCOc2ccccc2F)n(C)c1=O 7416397 GSFCCXRJCGRUJS-UHFFFAOYSA-N 352.753 1.305 0 40 FDAB CN(C)c1cccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1 8098246 FUAIVVLEIMSSOE-UHFFFAOYSA-N 364.423 1.636 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)[C@H](C)Oc2ccccc2)c(=O)[nH]c1=O 8393023 WHEOQDIJOBPTAW-ZDUSSCGKSA-N 374.441 1.739 0 40 FDAB CN(CC(=O)Nc1nnc(C(F)F)s1)S(=O)(=O)c1ccccc1 69461409 MVVVVAUPHNIHIV-UHFFFAOYSA-N 362.383 1.735 0 40 FDAB C[C@H]1c2cccn2CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 72274624 VXTWNCDFMGMCKU-XHDPSFHLSA-N 356.348 1.965 0 40 FDAB CCn1cc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cn1 72564834 KYGYUIXULNFWGE-UHFFFAOYSA-N 367.453 1.250 0 40 FDAB O=C(NCCC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1F 95401021 YZSSYOOZCBIOET-AWEZNQCLSA-N 366.286 1.610 0 40 FDAB CC(C)Cc1nnc([C@@H](C)N2CCN(c3ncccc3C(N)=O)CC2)o1 95957553 SRFVIPMLACBPTB-CYBMUJFWSA-N 358.446 1.645 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)CSc3ccc(Cl)cc3)C2)nn1 95997850 KHVOXPFYPZTNOS-UHFFFAOYSA-N 351.819 1.206 0 40 FDAB Cc1oncc1C(=O)N1CC[C@@]2(C1)OCc1cnc(NCC3CC3)nc12 306144217 YZKQOHJSOKLGQB-SFHVURJKSA-N 355.398 1.867 0 40 FDAB CCc1nnc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)s1 21288315 VUTWAASMDKGTSE-UHFFFAOYSA-N 359.411 1.805 0 40 FDAB Cc1occc1C(=O)NC1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 548009575 OFQUMLZKJPGYRS-CYBMUJFWSA-N 372.425 1.850 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)on1 73005652 JPCJHULNNUAYFS-UHFFFAOYSA-N 363.439 1.345 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1nccn1C 568542355 ZIOMSDJKFFUUGC-WMLDXEAASA-N 352.438 1.788 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)O)[C@@H]1O 35270754 AGWIINKICRXDEB-NEWXSUBSSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro O=C(c1cnccn1)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 72377790 FZYMMHCIRRDPHJ-CYBMUJFWSA-N 362.397 1.820 0 40 FDAB CC(=O)NC[C@H]1CN([C@@H](C(=O)O)c2cc(Cl)cc(Cl)c2)CCO1 569130721 XJYOOFLLGJXCTO-UONOGXRCSA-N 361.225 1.956 0 40 FDAB CCNS(=O)(=O)c1ccc(C(=O)NCCCn2nc(C)cc2C)cc1 40160768 KMFWHPZNECOHSX-UHFFFAOYSA-N 364.471 1.618 0 40 FDAB Cc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 498880029 JQFBRDUCBHOCOE-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB CCOCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225789914 GZAGCHHVMNGVLZ-UHFFFAOYSA-N 370.456 1.495 0 40 FDAB Cc1c(C(=O)N[C@@H](CC2CC2)C(=O)O)nnn1-c1ccc(F)c(F)c1 573806143 ZSYZSLGCPVBQGF-ZDUSSCGKSA-N 350.325 1.837 0 40 FDAB CCN(C(=O)Cn1cnc2c1C[C@H](C)[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 428188984 GIPGFXQSLKUPBV-MELADBBJSA-N 353.488 1.290 0 40 FDAB CNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccco2)CC1 585080674 OCIBSONIWDTPAC-UHFFFAOYSA-N 366.425 1.944 0 40 FDAB CC(=O)N(C)c1ccc(NC(=O)N2CC(=O)NC(=O)C23CCCCC3)cn1 577998567 CAKWFEDDMADMTB-UHFFFAOYSA-N 373.413 1.258 0 40 FDAB Cn1cccc1CNC(=O)CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O 95473733 VAWPMEQMWSFGTB-QGZVFWFLSA-N 368.437 1.789 0 40 FDAB N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn(Cc3ccccc3)nn2)C1 583619779 HBAMSGQWJAKBJZ-GXTWGEPZSA-N 353.348 1.821 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cnn3c2CCCC3)[C@@H]1c1cncn1C 583621202 SUJARIOZPRCCKA-KBXCAEBGSA-N 356.474 1.766 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 96218048 CLYWPFYXKQDDLK-IBGZPJMESA-N 358.442 1.091 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)N3CCCC3)CC2)N1S(C)(=O)=O 96208137 DRENJYDQKAYKAZ-AWEZNQCLSA-N 359.492 1.107 0 40 FDAB CN1CCC(C(=O)N2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)CC1 257332675 XYFNEHBXLIFUKL-OAHLLOKOSA-N 368.485 1.990 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 251990200 IUQGWADIBNWTBE-INIZCTEOSA-N 359.430 1.989 0 40 FDAB CN1CCCC[C@]1(C)C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257276095 NSHYUPAXHFIQFY-SJORKVTESA-N 359.461 1.555 0 40 FDAB Cc1nccn1CCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257211035 BXHGKPKGYPBISV-GOSISDBHSA-N 369.469 1.170 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1cnn(CC(C)C)c1C1CC1)N(C)C2 644467852 AWRSSJJLXTWAJM-HNNXBMFYSA-N 357.462 1.769 0 40 FDAB C[C@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(OCC(=O)O)cc1 656251261 OQPQVYGTVTUPOR-NSHDSACASA-N 358.350 1.807 0 40 FDAB C[C@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC[C@@H](C)O1 1616044467 KOCILNWKYWRZEB-CVEARBPZSA-N 366.506 1.140 0 40 FDAB Cn1ccnc1C(NC(=O)CSC[C@@H]1CCCCO1)c1nccn1C 600231597 KHHIXWZXSHTNDT-ZDUSSCGKSA-N 363.487 1.662 0 40 FDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cncs3)cc2NC1=O 585281408 IZXSXADGBPMEOY-SNVBAGLBSA-N 367.408 1.371 0 40 FDAB Cn1cncc1CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O 685917626 ISANRNVATTZKAJ-UHFFFAOYSA-N 353.426 1.507 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc2c1OCCO2 65610109 SAEAVPINHHKYBO-AWEZNQCLSA-N 368.455 1.278 0 40 FDAB CC1(C)Oc2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2O1 49307046 NHKQFABTMLZHSX-GFCCVEGCSA-N 354.428 1.947 0 40 FDAB CC(C)CS(=O)(=O)C1CCN(C(=O)Cn2nnc3ccccc32)CC1 96374623 KEYFLGUZYBRLOI-UHFFFAOYSA-N 364.471 1.493 0 40 FDAB NC1(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)Cc2ccccc2C1 97019864 KQADAFDPJUCCIO-KRWDZBQOSA-N 361.449 1.932 0 40 FDAB COc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1OC 13119705 QHDMEVKSLCVPOD-UHFFFAOYSA-N 372.421 1.949 0 40 FDAB biogenic C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15331336 DCASMAXPILFGDS-MWLCHTKSSA-N 362.245 1.520 0 40 FDAB COc1ccc(CCc2nnc(NC(=O)c3ccc(=O)n(C)n3)s2)cc1 19288533 JJUJKSRBPDQLQC-UHFFFAOYSA-N 371.422 1.678 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(CN(C)C)n(C)n2)C1 19709022 GBZFPEBMQWYASF-AWEZNQCLSA-N 357.524 1.248 0 40 FDAB COc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)on1 511071934 BZWHRGYNFLVRFT-STQMWFEESA-N 351.382 1.101 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)C1CC1 5887108 FYIXCZGUPLKFSY-NSHDSACASA-N 354.428 1.526 0 40 FDAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888913306 IDCVHSWMUZJYRF-GJZGRUSLSA-N 366.400 1.401 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5[nH]ccc45)CC3)nn2)n1 1889205695 JRDRAYKUEIUYLG-UHFFFAOYSA-N 361.413 1.569 0 40 FDAB CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1 21869113 MRLHTRMFIIZRSK-JTQLQIEISA-N 372.418 1.338 0 40 FDAB Cc1cc(C)nc(N2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)n1 1614946327 BWSFMQHNLQXGAF-SFHVURJKSA-N 373.482 1.805 0 40 FDAB O=C(Nc1ccccc1)c1cnc2n1[C@H](CNC(=O)[C@@H]1CCOC1)CC2 1565553222 PCXAQHRSTDLBJI-HIFRSBDPSA-N 354.410 1.775 0 40 FDAB CCCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072215 LKWHXNGPQRQPCG-UHFFFAOYSA-N 353.426 1.866 0 40 FDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)c1cccc(Cl)n1 2055759328 LQZLRYIBNNIQIS-NSHDSACASA-N 350.806 1.622 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775974148 XFVRGGBBGVWKQB-INIZCTEOSA-N 354.410 1.656 0 40 FDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)c1ccccc1 23115270 PGSQJRFBOHSNDP-CQSZACIVSA-N 371.441 1.235 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 5240974 RBTSGKCRMPPGAP-UHFFFAOYSA-N 358.375 1.616 0 40 FDAB O=C1NCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 50635420 ONBLCUTZOWRMHY-RNKCIKGZSA-N 373.497 1.589 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 21053816 ZVLGDVDPWVDIRH-KBPBESRZSA-N 368.499 1.708 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(N)=O)c(=O)oc2c1 32646472 FIRWUOAZQCFQQP-HNNXBMFYSA-N 358.394 1.519 0 40 FDAB CCOc1cc2c(cc1CNC(=O)CC[C@H]1NC(=O)NC1=O)O[C@H](C)C2 32748144 QVANGNBCOCAHJI-ZWNOBZJWSA-N 361.398 1.013 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 21599363 LODRLOUSJITJAY-UHFFFAOYSA-N 354.366 1.129 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)N1CCCC[C@H]1C 102475659 NSTCCQJBMNONHI-OWCLPIDISA-N 372.469 1.336 0 40 FDAB O=C1O[C@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)Cc2ccccc21 46422523 NWGGMDGJHCUOIA-HOCLYGCPSA-N 352.394 1.343 0 40 FDAB C[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)C1 878411 XWDBQBKDRCEXDR-OAHLLOKOSA-N 370.457 1.435 0 40 FDAB COc1cc(C(=O)OCCNC(=O)c2ccncc2)cc(OC)c1OC 2679757 YORJRUXGXWVDQS-UHFFFAOYSA-N 360.366 1.694 0 40 FDAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1 3323495 SCRDMBSSYQBTRE-UHFFFAOYSA-N 374.828 1.948 0 40 FDAB COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC 679757 XRXFIICOEHRMGZ-UHFFFAOYSA-N 352.412 1.972 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 47091614 JXGMOYMRYHNCAT-UHFFFAOYSA-N 359.474 1.919 0 40 FDAB COCCN(Cc1ccccc1)C(=O)CNC(=O)COc1ccccc1 23597635 SWLPWUJDSVVPLJ-UHFFFAOYSA-N 356.422 1.857 0 40 FDAB COC(=O)CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 8984010 SMNGBASVQONDHU-UHFFFAOYSA-N 362.407 1.763 0 40 FDAB CCOC(=O)[C@@H](C)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 72309056 KVLVGKAWTGSZMT-BBWFWOEESA-N 353.507 1.308 0 40 FDAB CC(C)CN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408521 ANPFDDAXPMKPNQ-LSDHHAIUSA-N 356.875 1.810 0 40 FDAB O=C1CCc2cc(OC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)ccc2N1 108059062 GULFADYWBYKABC-YDOWWZDFSA-N 366.373 1.284 0 40 FDAB CC(C)C(=O)NCCNC(=O)c1nc(N2CCCCC2)ncc1Cl 44327153 DUONBEXULVMTIC-UHFFFAOYSA-N 353.854 1.622 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCCc1ccccc1 45129649 BUFNWKZDVJOKRV-UHFFFAOYSA-N 358.442 1.783 0 40 FDAB Cc1c(/C=c2/sc3n(c2=O)[C@@H]2C[C@@](C)(N=3)Oc3ccccc32)cnn1C 102009254 QQZNDXLBEXIGRZ-LFGZYJHXSA-N 366.446 1.502 0 40 FDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 48288006 HPGOESLFVZHXHM-IRXDYDNUSA-N 374.466 1.057 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1cnn(Cc2ccccc2)c1 11499115 IIPROUCUCKGIEQ-AWEZNQCLSA-N 355.442 1.740 0 40 FDAB O=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1)C1CC1 11430614 FLEJODWHGLWDPC-UHFFFAOYSA-N 357.439 1.849 0 40 FDAB Cc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29675193 QPNDQKYBEVXEAX-SFHVURJKSA-N 372.513 1.952 0 40 FDAB Cc1nc(C(=O)NC[C@H]2CN(c3ncc(F)cn3)Cc3ccnn32)cs1 306140411 USZBXCODHSBTEO-ZDUSSCGKSA-N 373.417 1.568 0 40 FDAB COc1ccc(CN(C(=O)COC(=O)c2nccnc2N)C2CC2)cc1 12762059 JJFBIDPCCRVCJD-UHFFFAOYSA-N 356.382 1.415 0 40 FDAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 3440388 JVQRMTKDWAXAAG-GOSISDBHSA-N 364.511 1.587 0 40 FDAB COC(=O)C[C@H]1NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O 12979355 NREOEWHUSCAPNJ-GFCCVEGCSA-N 373.331 1.492 0 40 FDAB Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 13132010 IECQJDHZFPLEGC-HOTGVXAUSA-N 370.405 1.106 0 40 FDAB O=C(NC1CC1)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 14197222 SWJHADMUNUCOST-GJZGRUSLSA-N 359.455 1.964 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2F)cc1 14244116 BSCHORGTSOYDFC-UHFFFAOYSA-N 350.415 1.765 0 40 FDAB CCOC(=O)CNC(=O)CSc1nc2ncc(Br)cc2[nH]1 6785697 WJPMNPBYYIALMI-UHFFFAOYSA-N 373.232 1.492 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)COc1ccc(Br)cc1F 15175867 KQEULWQNLCHMSG-UHFFFAOYSA-N 361.211 1.998 0 40 FDAB O=C1CS[C@@H](c2ccc[nH]c2=O)c2c(O)nn(C3CCOCC3)c2N1 96117343 RHIXTRQUDHRSIF-ZDUSSCGKSA-N 362.411 1.403 0 40 FDAB CCc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1N1CCOCC1 7072987 HTQFARATWJBYBE-LBPRGKRZSA-N 361.471 1.632 0 40 FDAB Cc1cc(C)c(CNC(=O)CCCn2c(=O)oc3ccccc32)c(=O)[nH]1 7118241 GKTNRCAZBHHZRT-UHFFFAOYSA-N 355.394 1.996 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2ncnc3ccccc23)n(C)c1=O 9319083 HMXBHJCWRHENSB-UHFFFAOYSA-N 368.422 1.169 0 40 FDAB O=C(CNC(=O)c1ccc2ccccc2c1)NCc1nnc2ccccn12 9365432 XCFYWWCVXZCDJL-UHFFFAOYSA-N 359.389 1.929 0 40 FDAB CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 7878940 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1.966 0 40 FDAB COC(=O)[C@](C)(O)CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 95942126 HTKATHZQJZSUJE-LJQANCHMSA-N 374.368 1.732 0 40 FDAB O=C(O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9912668 FOKQRBDTQMPRIN-OAHLLOKOSA-N 366.439 1.163 0 40 FDAB Cc1nc(CN2C[C@]3(CCNC3)Oc3ccccc3S2(=O)=O)cs1 306139961 UFLMOWFRDXWWNI-MRXNPFEDSA-N 365.480 1.767 0 40 FDAB COC[C@@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 60387735 JYJXOMBSCVMOGL-SECBINFHSA-N 355.441 1.063 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408709641 VWJDHPCGYWHDOA-CQSZACIVSA-N 360.458 1.364 0 40 FDAB COCCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217632276 UNRVBAYJTLIDGZ-GFCCVEGCSA-N 372.443 1.291 0 40 FDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217510148 ZDNKJINANAADQS-GFCCVEGCSA-N 374.459 1.537 0 40 FDAB COc1ccc2sc(N3CC(C(=O)N[C@@H]4CCSC4=O)C3)nc2c1 75172322 PIOGYVRTEFXTSG-LLVKDONJSA-N 363.464 1.889 0 40 FDAB CN(C(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)C1CCCC1 216328581 MTTBUOYUZWDUCU-UHFFFAOYSA-N 354.472 1.858 0 40 FDAB 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CC[C@H](C)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 12894025 LZWJGHPOUZCFIU-LBPRGKRZSA-N 365.455 1.563 0 40 FDAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)o1)[C@H]1CCS(=O)(=O)C1 12865654 AAFJIVUOPDRQHF-KOLCDFICSA-N 359.473 1.463 0 40 FDAB Cc1ccc2oc(C(=O)N3CCN(c4ncccn4)CC3)cc(=O)c2c1 8718408 XPZUDDZIOXHMBC-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB COc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cc1 306124139 BHGLMPOMLWSNRN-DFQSSKMNSA-N 367.449 1.967 0 40 FDAB COc1ccc(-c2nc3nc(O)cc(NC(=O)[C@H]4CCCO4)n3n2)cc1 9014196 ZNENOUXCFUIDGX-GFCCVEGCSA-N 355.354 1.623 0 40 FDAB CC(C)CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 15172279 CIQDTNVFUJGTIS-UHFFFAOYSA-N 367.471 1.557 0 40 FDAB Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cs1 5959858 WRKDTHDSLPDIGZ-UHFFFAOYSA-N 371.509 1.589 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(-n2cnnn2)cc1 7249976 RYZSMNAOIOEGHS-UHFFFAOYSA-N 354.351 1.089 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccc2c(c1)OCO2 9544490 HGYOPPIUPGNWIN-UHFFFAOYSA-N 351.362 1.901 0 40 FDAB biogenic CN(C)C(=O)Cn1cc2c(n1)[C@H](NS(=O)(=O)c1ccccc1)CCC2 96002778 OBFKWIBWPCLWDQ-OAHLLOKOSA-N 362.455 1.327 0 40 FDAB COc1ccc(OC)c([C@@H]2C/C(=C3/C(=O)N(C)C(=S)N=C3O)NN2)c1 15834717 GPERYPTWSOLBGA-KAMHRAILSA-N 362.411 1.210 0 40 FDAB CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc2c(c1)OCO2 7640443 GEWKFCYZSZELSR-UHFFFAOYSA-N 353.378 1.832 0 40 FDAB CCCN(C(=O)COC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 7786250 DVAPYSPUCPQCPZ-OAHLLOKOSA-N 353.440 1.578 0 40 FDAB CC1(C)Cc2cc(CNC3CCN(CCS(C)(=O)=O)CC3)ccc2O1 68989141 WYTPDBBTRHZSMR-UHFFFAOYSA-N 366.527 1.999 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)no1 9306755 KUCXECHSLQLWLB-XNWPKKHHSA-N 365.389 1.586 0 40 FDAB O=C(CN1CCCS1(=O)=O)NCC1(c2ccc(F)cc2)CCCC1 71800118 DRVIQGDHMVWUKU-UHFFFAOYSA-N 354.447 1.789 0 40 FDAB Cn1ccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 84140050 RIPADYREPKLJRS-OAHLLOKOSA-N 361.490 1.353 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1N1CCOCC1 95436748 HRIHOZLZHPZXAW-RPVQJOFSSA-N 367.440 1.747 0 40 FDAB C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)ccc2O1 97012772 NWFWKPAAJFLJGK-SJCJKPOMSA-N 363.439 1.506 0 40 FDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccccc1 95958149 AVPWHIPYUWBZOW-DARAHFNDSA-N 370.405 1.897 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)C(C)(C)C)n2c1 95944707 XFYSXYZGMUQYTI-UHFFFAOYSA-N 356.473 1.687 0 40 FDAB CCCN(CC(=O)O)C(=O)/C=C/c1ccc(S(=O)(=O)NCC)cc1 95970020 RTWZPHYOBAYMSB-JXMROGBWSA-N 354.428 1.321 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(C(=O)OC)cc1Br 29019728 QPYIQVBBJBKXTE-VIFPVBQESA-N 360.204 1.766 0 40 FDAB COc1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)ncn1 306139742 TYZVEIHEXQBUGB-BFHYXJOUSA-N 360.439 1.428 0 40 FDAB COCCNC(=O)[C@@H](OC(=O)c1cc2occc2n1C)c1ccccn1 35315776 UABYNLNEFWXSIK-INIZCTEOSA-N 357.366 1.827 0 40 FDAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccon1 70900645 MPFVYCSEDWKWPH-UHFFFAOYSA-N 369.381 1.787 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CN(C(=O)c3ccc(C)c(C)n3)C2)cc1 563257996 ACSSSPMUUYGRJY-UHFFFAOYSA-N 359.451 1.810 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)CC1=O 43007116 COYWCPVLLGEDPG-HNNXBMFYSA-N 373.453 1.375 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)c(Cl)cc21 223342104 ORLZOEPUPDUANK-UHFFFAOYSA-N 353.787 1.658 0 40 FDAB CN(Cc1ccoc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 331864306 FFKSNJKRWCUJLA-UHFFFAOYSA-N 363.439 1.734 0 40 FDAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccccn2c1=O 96115374 FUGIQKGIOLDHOG-ZDUSSCGKSA-N 368.345 1.793 0 40 FDAB biogenic Cn1nnc2c1[C@@H](COCc1ccccn1)CN(C(=O)c1cccnc1)C2 96060784 OKFUBNWDIDBJSX-OAHLLOKOSA-N 364.409 1.562 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96239925 GDVBYBDYOWLJRI-SFHVURJKSA-N 359.470 1.702 0 40 FDAB COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1oc(C)cc(=O)c1O 96113789 UUMBVGVVXAZKBQ-ZDUSSCGKSA-N 361.350 1.213 0 40 FDAB biogenic CCc1ccc(CN2CCO[C@H]3C[C@H](COCC(=O)N(C)C)C[C@@H]32)o1 96082766 NDUYPLZCLZBOSK-JLSDUUJJSA-N 350.459 1.926 0 40 FDAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccoc1)CC2 96230141 KVILLPGGIDKYKB-UHFFFAOYSA-N 354.454 1.983 0 40 FDAB CN1CC2(CN(CCOCc3ccccc3)C2)OC[C@H]1C(=O)N1CCCC1 248027550 MZSUAPCNQVGOGU-IBGZPJMESA-N 373.497 1.211 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)OC)(c1ccccc1)N[C@H]2c1ccco1 245229667 CSTXXNOXJXSUHV-KSVNGYGVSA-N 368.389 1.614 0 40 FDAB COc1cccc(CN2CC[C@H](n3cc(C)c(O)nc3=O)[C@@](C)(O)C2)c1 257299692 RRBYCQOUDMUFOO-LPHOPBHVSA-N 359.426 1.464 0 40 FDAB Cn1nccc1CCC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257226061 FIZJEPRATKPZBN-INIZCTEOSA-N 356.417 1.047 0 40 FDAB COC(=O)[C@@](C)(Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O 255188959 MUHTUGOSYXXGKJ-QGZVFWFLSA-N 351.355 1.148 0 40 FDAB NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2CC1CCOCC1 257296197 RBRFCRXHCZQFFT-IAGOWNOFSA-N 351.491 1.524 0 40 FDAB COc1cccc(Cc2cncc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2)c1 257233462 GPJDXUXPODYVPI-LJQANCHMSA-N 374.462 1.988 0 40 FDAB Cc1nccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257286305 PLBVLFMLMMVXQC-SFHVURJKSA-N 359.405 1.423 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCC(=O)O 257254993 KFRDJKIAIKWGRP-IBGZPJMESA-N 372.425 1.284 0 40 FDAB CCOC(=O)[C@]1(NS(=O)(=O)c2cscn2)CCc2ccccc21 592030794 ZQPMVAKXOJZOOL-HNNXBMFYSA-N 352.437 1.826 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1 666534320 NOVBVMHOFQSGNG-HNNXBMFYSA-N 358.398 1.121 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc(F)c2)CC1 670416123 NWFYOTMYWIXYRV-CQSZACIVSA-N 371.416 1.937 0 40 FDAB NC(=O)[C@H](Cc1ccccc1)Nc1nc(-c2ccncc2)nc2c1CCNC2 67974035 GMQLWVMLNBCFGS-KRWDZBQOSA-N 374.448 1.693 0 40 FDAB Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CCO2)o1 681821317 OZBYUOQMYPDIER-BONVTDFDSA-N 365.411 1.464 0 40 FDAB CN1CCC2(CC1)CN(C(=O)c1ncnc3sccc13)[C@@H]1COC[C@@H]12 1615589808 KYDZQBWEIUFXQY-UONOGXRCSA-N 358.467 1.874 0 40 FDAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 96362906 IGXILSJHDQLCJE-GOSISDBHSA-N 371.412 1.284 0 40 FDAB O=C(O)CS(=O)(=O)CCN1CCC[C@H](c2nc3ccccc3s2)C1 806564275 OMBWCENMUNGBCQ-LBPRGKRZSA-N 368.480 1.975 0 40 FDAB Cn1ccc(CC(=O)N2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 585109189 ZMWGFHUNYIEFBF-XKQJLSEDSA-N 369.425 1.002 0 40 FDAB COc1c(C)cnc(CNC(=O)c2cccnc2N2CCOCC2)c1C 50447806 SIFKBHIDTWTOGY-UHFFFAOYSA-N 356.426 1.869 0 40 FDAB O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)N1CCCCCC1 85436928 ZELOYQOGQJOQKA-INIZCTEOSA-N 351.516 1.802 0 40 FDAB N#Cc1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 79936222 YGORXWNIJZGXJB-UHFFFAOYSA-N 353.407 1.224 0 40 FDAB O=C1O[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)Cc2ccccc21 89857925 TURPRORZLUWYFQ-GFCCVEGCSA-N 363.167 1.858 0 40 FDAB Cn1ccnc(N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)c1=O 1775973634 LVPYEOYVMBEPLA-UHFFFAOYSA-N 369.812 1.719 0 40 FDAB CCOCCCNC(=O)Cn1nc(CC)n2c(cc3sccc32)c1=O 5108961 WLIWMBYMUZWPJP-UHFFFAOYSA-N 362.455 1.816 0 40 FDAB Cc1c(C(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)cnn1C 12086291 FMFDEFHZOBGNDR-UONOGXRCSA-N 363.421 1.668 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCN1CCCC1=O 12156193 GQTVVUWYMSKYCN-DZGCQCFKSA-N 353.426 1.638 0 40 FDAB O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1)c1ccccc1 12602376 LYXWLNHERINLJO-OKZBNKHCSA-N 363.527 1.771 0 40 FDAB biogenic,in-vitro C[C@H](SCC(=O)N1CCC(O)(C(N)=O)CC1)c1nc2ccccc2[nH]1 619873299 BDVKVKYHXPJMDO-NSHDSACASA-N 362.455 1.196 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1 16849883 AQDFIDHWQJKETA-UHFFFAOYSA-N 361.398 1.202 0 40 FDAB Cc1cc(C)nc(N2CCO[C@@]3(CO[C@@H](C(=O)NCC(F)(F)F)C3)C2)n1 2056226762 ZIVQFCPNAKDRNB-IUODEOHRSA-N 374.363 1.136 0 40 FDAB CC1CC(C(=O)N2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)C1 1614927390 NMSKBHNWPHXOHU-YMAMQOFZSA-N 370.515 1.655 0 40 FDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)C3CCC(C)CC3)CC[C@@H]21 1565549215 RUTPSFKMGSQVMN-CORWQPHRSA-N 373.501 1.942 0 40 FDAB COCCCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007610 BYQQKWVOYWFQEV-UHFFFAOYSA-N 371.437 1.599 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@@H]3CCO)CC2=O)cc1 5190560 TXGAFZOAJCPKHM-LSDHHAIUSA-N 361.442 1.747 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 10876013 GRKQZCSWEKPQKO-OAHLLOKOSA-N 374.462 1.963 0 40 FDAB Cn1cc(C(=O)N2CCC23CN(C(=O)c2ccc4c(ccn4C)c2)C3)cn1 2055746344 QEOWNRFGSYHBAE-UHFFFAOYSA-N 363.421 1.653 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 20849612 WLDUGKQCBVTXLB-UHFFFAOYSA-N 355.394 1.938 0 40 FDAB COc1ccc(-c2ncnc(N3CC(N(C)Cc4nnco4)C3)c2F)cc1 1775974473 HHOKDDSLHUEIKD-UHFFFAOYSA-N 370.388 1.995 0 40 FDAB COc1nc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)ncc1Br 2086850132 GLPZQCQZHNSSHK-SECBINFHSA-N 357.252 1.989 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 4903303 DTJYSDCJAJUNBN-UHFFFAOYSA-N 362.407 1.960 0 40 FDAB CCn1cnnc1-c1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 40074753 SBPZHVUKGMRNOL-UHFFFAOYSA-N 374.426 1.203 0 40 FDAB C[C@@]1(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CCS(=O)(=O)C1 40024722 XFXFLKYSQARCLR-GOSISDBHSA-N 359.451 1.668 0 40 FDAB CCCNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 20857350 CGFWEYAHRLUULY-UHFFFAOYSA-N 370.471 1.823 0 40 FDAB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 78560143 ICULLTXVCIQBKA-INIZCTEOSA-N 355.479 1.616 0 40 FDAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1c(C)[nH]c2ccccc12 1588094 DMEMKMAPIZQSER-UHFFFAOYSA-N 368.349 1.653 0 40 FDAB CNC(=O)CN1CCC(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 103130539 GQLHVADZOKAUPY-CXTCDGGRSA-N 367.921 1.891 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)cs1 6681669 FGUHNVJAEVVPET-UHFFFAOYSA-N 374.484 1.462 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(N2CCOCC2)nc1 22995582 OABVDIVOQFJUIF-UHFFFAOYSA-N 364.405 1.983 0 40 FDAB COC(=O)c1cc(NC(=O)CCCCNC(N)=O)cc(C(=O)OC)c1 61039146 MZGAPZGWDIHXCC-UHFFFAOYSA-N 351.359 1.037 0 40 FDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCN(c2ccncc2)CC1 54131181 UJJBJFBXTNWRLA-UHFFFAOYSA-N 366.450 1.886 0 40 FDAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108529617 VKICKGKVONGVCE-CYBMUJFWSA-N 356.444 1.291 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)NCCCn1nc2n(c1=O)CCCC2 47160852 GCWBQJGTCYJWED-UHFFFAOYSA-N 361.421 1.752 0 40 FDAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)C(=O)NCc1ccccc1 55346958 KVIMCWQUHDNALY-AWEZNQCLSA-N 367.405 1.806 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@@H]2CCOC2=O)C(C)C)cc1 25058559 OEFYHVNEQNZFSU-ZIAGYGMSSA-N 355.412 1.157 0 40 FDAB CN1CCN(C(=O)c2nnc3sc(-c4ccccc4Cl)nn23)CC1 57354685 XVZBGYKLTGWGAN-UHFFFAOYSA-N 362.846 1.894 0 40 FDAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646881 FMQXWRIEQOZIQH-ZLDSFBNPSA-N 359.378 1.765 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57426468 CHSFQSAGJPXBJK-UHFFFAOYSA-N 357.435 1.511 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)C1CCN(C(=O)C2CC2)CC1 44599226 KXWRZAVTPWTTMQ-UHFFFAOYSA-N 354.414 1.558 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C)C)CC1 58081808 ASFAESXJHXQNNT-QGZVFWFLSA-N 360.437 1.457 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 107843555 VKPDLWZARIGJJS-CYBMUJFWSA-N 368.455 1.155 0 40 FDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1O 58195039 QXSZEVFKKKFQOS-UHFFFAOYSA-N 354.410 1.256 0 40 FDAB NC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 58168401 DFNTWCDMOPKJCH-GFCCVEGCSA-N 356.220 1.407 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 58181494 MPULWPDXUBLAMF-ZIAGYGMSSA-N 352.456 1.920 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 24681967 ONZUQLVQGDXRDH-ZDUSSCGKSA-N 364.471 1.426 0 40 FDAB NC(=O)C1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 58341679 PIDDIIBBNSDQAI-KRWDZBQOSA-N 358.486 1.806 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1 12603694 ZLSKDTDZAZSRDK-UHFFFAOYSA-N 354.410 1.629 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102527706 BEVRHVZLMYUEFX-CHWSQXEVSA-N 355.394 1.455 0 40 FDAB COCC(=O)N1CCC2(CCCN(Cc3csc(C)n3)C2=O)CC1 108532440 OAEKRLANQFVRPQ-UHFFFAOYSA-N 351.472 1.829 0 40 FDAB COc1cccc2c1C(=O)c1ccc3c(c1[C@@H]2O)[C@H](O)[C@H](O)[C@H](C)[C@H]3O 28537810 XJODQKSMDGEWCE-SPZVBXAOSA-N 356.374 1.399 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cnc21 11328959 MHFGRJQNRHPKIP-UHFFFAOYSA-N 367.287 1.667 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 3317447 JJVKRATVEXYRKZ-UHFFFAOYSA-N 354.428 1.396 0 40 FDAB COc1cc(C(=O)OCC(=O)NC(=O)NCC(C)C)cc(OC)c1OC 3451911 XTCHFOARUKQILU-UHFFFAOYSA-N 368.386 1.351 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12916523 IRFNMFOMCGGNGH-UHFFFAOYSA-N 367.452 1.544 0 40 FDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c(-c3nnn[nH]3)c2)c1 72306303 KUSHQTMMHXWTKU-UHFFFAOYSA-N 363.330 1.505 0 40 FDAB Cc1ccccc1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 13041861 JDUKMQVAAVJVDJ-UHFFFAOYSA-N 355.398 1.161 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 92771760 BIYHJTVKFPAHHR-SJORKVTESA-N 365.499 1.191 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnnn1C1CC1 8923515 BFIHXEWJONPFHN-UHFFFAOYSA-N 369.454 1.944 0 40 FDAB C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)NCC(F)(F)F 8943066 QWNXMPNTGIXTCM-ZCFIWIBFSA-N 356.226 1.946 0 40 FDAB O=C(NCCc1ccc(O)cc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059784 NDSZHNWTTHRZTE-UHFFFAOYSA-N 366.425 1.634 0 40 FDAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 6065049 AYXCKVWBNYRDJU-YIALFULDSA-N 357.815 1.200 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(Nc2ccccc2)=N1 9192430 ZUDYZZBYQLSDEQ-CQSZACIVSA-N 366.377 1.753 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N3CCS[C@@H]3c3ccccc3F)cnc21 14138908 QYZSFSRFVKJVSL-QGZVFWFLSA-N 373.413 1.543 0 40 FDAB Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2c(F)cccc12 14251009 RLTGHVNTDYAZOT-UHFFFAOYSA-N 359.401 1.917 0 40 FDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1O 408597368 VCVYNJWYJIKMQR-FPYGCLRLSA-N 371.143 1.141 0 40 FDAB COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(C)C 4682407 ZTSQAHTWRCIGRU-DOTOQJQBSA-N 372.421 1.935 0 40 FDAB CC(CO)(CO)NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 96011718 BDCOKCCTOKUOAJ-GOSISDBHSA-N 353.422 1.854 0 40 FDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCOC(C)C)C3)cc1 9317299 KCXLZMCLGKQIEH-KRWDZBQOSA-N 359.426 1.961 0 40 FDAB CCn1nnnc1SCC(=O)NCCc1ccc(OC(F)F)cc1 16461154 KZIWMFHOYXSCBF-UHFFFAOYSA-N 357.386 1.745 0 40 FDAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 69203366 ZDBLQLSIPPQBIK-JOYOIKCWSA-N 366.361 1.225 0 40 FDAB COc1ccccc1[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1nccn1C 71811428 KJTUAISRYGEWNJ-MRXNPFEDSA-N 358.442 1.797 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(Cc2nccs2)Cc2ccnn21)C1CC1 306127609 GDKHPWZQKDNINO-CYBMUJFWSA-N 367.500 1.368 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)NCC(C)(C)N3CCOCC3)CC2=O)cc1 24082682 PXXGURTUFXBQAF-QGZVFWFLSA-N 373.497 1.829 0 40 FDAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1S(=O)(=O)NC(C)C 408701195 TXCVKOSQOYNCIA-LBPRGKRZSA-N 358.460 1.537 0 40 FDAB O=C(Cc1noc(C(=O)N2CCOCC2)n1)Nc1ccc(F)cc1F 36366378 KVYSKOCQNYGWCT-UHFFFAOYSA-N 352.297 1.001 0 40 FDAB CCC(CC)(CC)C(=O)N[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C 1513287286 QUHHLHCMYQOJAE-OWCLPIDISA-N 354.491 1.971 0 40 FDAB CCOC(=O)c1cn([C@H]2C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)nn1 38534503 OBFAHFOFBSEPOF-CMPLNLGQSA-N 368.390 1.178 0 40 FDAB CN1C(=O)CSc2cnn(CC(=O)Nc3c(F)cccc3F)c(=O)c21 49006573 NLAZANMKQAMAQE-UHFFFAOYSA-N 366.349 1.229 0 40 FDAB O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc2c(c1)OCCO2 75155737 OBOFZCNVWFEUJI-SFHVURJKSA-N 361.419 1.570 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)s1 223163636 FXTXBUBYSZSZES-UHFFFAOYSA-N 369.428 1.032 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2c(C)nn(C)c2C)cc1 40057850 AGHFRJQQOWHHHE-UHFFFAOYSA-N 350.444 1.054 0 40 FDAB O=C(Cc1ccsc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 198467631 GOJZASCCBLRMIH-UHFFFAOYSA-N 364.492 1.965 0 40 FDAB CN(C)C(=O)CO[C@H]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 96054603 PSOBKBDFYBAFAM-PMPSAXMXSA-N 374.437 1.761 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1ccc2c(c1)OCO2 96344535 GINYFAZEONQMRI-UHFFFAOYSA-N 355.394 1.557 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1ccsc1)C2 96050357 ICKFEPKEEFGAHC-KRWDZBQOSA-N 359.455 1.045 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]12 96083171 COSMHIWBRAWEGM-KFWWJZLASA-N 350.415 1.075 0 40 FDAB Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)NCCCN1CCOCC1 95472351 QCIPNAKYXMDBJD-UHFFFAOYSA-N 360.433 1.905 0 40 FDAB O=C(O)[C@]1(CO)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242723242 YIGHDHVYLNNDSZ-BFYDXBDKSA-N 350.367 1.829 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(-n2c(=O)oc3ccccc3c2=O)c1 255187567 FKEGJSIGGFXBAS-UHFFFAOYSA-N 355.302 1.517 0 40 FDAB CC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257224849 FDRKLWJDRREETM-HZPDHXFCSA-N 359.382 1.427 0 40 FDAB Cc1cccc(C)c1OCC(=O)N1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257206978 BFRWRYRYKAJTML-IRXDYDNUSA-N 362.470 1.806 0 40 FDAB Cn1cc(CCC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)cn1 257238451 HLAMBPRCDPMZDB-WMZOPIPTSA-N 370.453 1.524 0 40 FDAB O=C(CNS(=O)(=O)c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 552871927 XPPXJGAGWTYVEZ-UHFFFAOYSA-N 372.446 1.986 0 40 FDAB COCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1 643770830 AZKGGCRUMHKMDU-UAGQMJEPSA-N 354.472 1.099 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(OC)cc(Cl)c1F 643947361 WWKKHWUZVBZURK-MRXNPFEDSA-N 358.797 1.855 0 40 FDAB COCCn1cc(C(=O)N2CCC[C@@]2(COC)C(N)=O)c2ccccc21 644059416 YJZRTBZAWKAEDA-LJQANCHMSA-N 359.426 1.394 0 40 FDAB C[C@]12CCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C[C@@H]1C2(F)F 652313011 GVTWPYQMEDJVDF-XEZPLFJOSA-N 356.344 1.420 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 655599894 SEACLDIVSCOXLE-ZBFHGGJFSA-N 353.378 1.247 0 40 FDAB CS(=O)(=O)CC1(CC(=O)N2CCN(Cc3cccs3)CC2)CC1 673793103 LPYFBQIUBQNCLQ-UHFFFAOYSA-N 356.513 1.607 0 40 FDAB CC(C)c1ccsc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 680343225 NKASFTVWKKCAMV-UHFFFAOYSA-N 369.472 1.136 0 40 FDAB COC(=O)COc1ccc(NC(=O)N[C@H]2CCOC[C@@H]2O)cc1Cl 599765426 KJHWYDPFKTTWAC-RYUDHWBXSA-N 358.778 1.163 0 40 FDAB C[C@@]1(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCc2ccccc21 608123174 CRWLIGNDRJROOF-WEAZEUSYSA-N 368.433 1.517 0 40 FDAB Nc1ccc(-c2ccc(N3C(=O)NC[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 575421974 KCGQKUZCHCMWTF-PBHICJAKSA-N 357.435 1.879 0 40 FDAB Cc1nc(Nc2nncs2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 585291264 ALHNVQRQQXLXAE-MUBLQREKSA-N 373.486 1.814 0 40 FDAB Cc1cncc(C(=O)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 585274230 XTHQJFCRFLLHHO-UHFFFAOYSA-N 363.420 1.422 0 40 FDAB COc1cc(N2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)ncn1 585099022 CEYCKBKKDNMVCM-OAHLLOKOSA-N 355.442 1.839 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1 67332511 BQFIDJIXRXCWRR-CVEARBPZSA-N 364.398 1.951 0 40 FDAB CC(C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 75238255 AQFNWYLRZYONIC-GFCCVEGCSA-N 356.369 1.780 0 40 FDAB O=C(NCC(=O)N1CCc2ccccc21)c1cnc(-c2ncccn2)s1 101843683 SOJMYQQECXDIRN-UHFFFAOYSA-N 365.418 1.919 0 40 FDAB NC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5439278 OVCSASNSKYUJDR-UHFFFAOYSA-N 373.434 1.968 0 40 FDAB O=C(COC(=O)Cc1cccs1)NCC(=O)Nc1ccc(F)cc1 5786953 PFYDGCCYFJWKHT-UHFFFAOYSA-N 350.371 1.728 0 40 FDAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CN1Cc2ccccc2C1=O 12142045 QUTVTUHVDCXLAI-ZDUSSCGKSA-N 365.389 1.755 0 40 FDAB CN1C[C@H](C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)CC1=O 12292009 KDOPECOFYCDSHW-QWHCGFSZSA-N 355.398 1.316 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 19021483 XLJCDOZHSVTLPJ-CQSZACIVSA-N 372.473 1.715 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCOC[C@@H]1CCCO1 19576270 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Cc1cnc(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)s1 43385344 VQWKGSJJUBINTG-UHFFFAOYSA-N 351.476 1.614 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]1c1ccncc1 12522977 KRTHNDXHQGAFAM-MRXNPFEDSA-N 364.405 1.839 0 40 FDAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(c2cnccn2)CC1 25344075 PHAOFFRTIOBPIC-UHFFFAOYSA-N 370.438 1.870 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccn3)CC2)c(C)c1 27075199 HDAZIMUXRRCECP-UHFFFAOYSA-N 362.455 1.033 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccnc1N1CCCCC1 58210463 WQBJCBOIZWIXKF-UHFFFAOYSA-N 371.441 1.006 0 40 FDAB O=C(CN1CCC2(CC1)OCCO2)N1CCc2[nH]c3ccccc3c2C1 2126493 OQWAZNQDJIVRHZ-UHFFFAOYSA-N 355.438 1.892 0 40 FDAB biogenic C[C@H](NC(=O)C1CCCC1)C(=O)NCCS(=O)(=O)c1ccccc1 48234909 MKQXZUFHALVOIH-ZDUSSCGKSA-N 352.456 1.271 0 40 FDAB O=C(O[C@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12781515 BEENBPKPJYVJRI-ZDUSSCGKSA-N 371.386 1.085 0 40 FDAB O=C(CNC(=O)c1cccc(Nc2ncccn2)c1)NCc1ccco1 28101803 UTHAAIFOXHKONR-UHFFFAOYSA-N 351.366 1.859 0 40 FDAB O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 36395907 HIMBKKTYTNJJOX-CYBMUJFWSA-N 365.411 1.634 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C[C@@H](C)O1 36617754 AVSKQPOXXBLUIP-MGPQQGTHSA-N 360.410 1.447 0 40 FDAB CCN(CC)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11326422 ILOVBBBDONLTIV-UHFFFAOYSA-N 354.414 1.615 0 40 FDAB CCN(CC)CCCNC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 45802241 WOSUFGUENCKWTJ-UHFFFAOYSA-N 373.505 1.428 0 40 FDAB COc1ccc(CN(C)C(=O)CSc2nc(N)cc(O)n2)cc1F 12844694 KTVTWTLPGPVECZ-UHFFFAOYSA-N 352.391 1.663 0 40 FDAB CC(C)CCNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C 3414065 ZEFPEHXBCUPNFR-UHFFFAOYSA-N 353.370 1.798 0 40 FDAB CCOC(=O)C(NC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)OCC 12984243 VGLMKNOOPWXNCX-UHFFFAOYSA-N 359.382 1.026 0 40 FDAB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 8777081 JOMCSBWOJJEJKW-UHFFFAOYSA-N 351.881 1.827 0 40 FDAB COc1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 13100178 UCYWRJDXUNTNTL-LJQANCHMSA-N 353.378 1.736 0 40 FDAB O=C(COC(=O)CCC(=O)c1cccs1)NCCCN1CCCC1=O 6049232 ZIGMTKXSYAAWPA-UHFFFAOYSA-N 366.439 1.383 0 40 FDAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccccn1 65301763 YGZVWHNSTAZFMO-UHFFFAOYSA-N 370.434 1.873 0 40 FDAB CCn1cc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cn1 13947428 WPENGWSMEVHUEG-UHFFFAOYSA-N 350.444 1.423 0 40 FDAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccco2)n1N 8981037 FZRDTMXOWPVCJO-UHFFFAOYSA-N 364.412 1.143 0 40 FDAB CN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 4484962 XVIAZTMMSZCPFE-JTQLQIEISA-N 373.887 1.954 0 40 FDAB CC(C)[C@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)O 8991139 QMGGUISDEXIZJN-INIZCTEOSA-N 372.425 1.745 0 40 FDAB CC(=O)N1C[C@H](C(=O)N2CCN(c3nccs3)CC2)Oc2ccccc21 14162381 MTAQVZQIDPZWBF-MRXNPFEDSA-N 372.450 1.606 0 40 FDAB COCCCNC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 5451618 HNQZITCTKXHZSV-UHFFFAOYSA-N 372.450 1.610 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c(O)c([C@@H]2OC(=O)c3ccccc32)c1=O 5704425 YVXSYQUIGRJIJC-OAHLLOKOSA-N 366.329 1.500 0 40 FDAB C[C@@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC1CC1 7254476 UEEHZLWWZZWICN-SECBINFHSA-N 369.468 1.837 0 40 FDAB O=C([C@@H]1CN(C(=O)/C=C/c2ccco2)c2ccccc2O1)N1CCOCC1 8389725 YLCSZYIXQSAIQL-DVBCCOPCSA-N 368.389 1.946 0 40 FDAB O=C1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCN1 95393514 ZFEDIRLLZYFRBA-INIZCTEOSA-N 365.842 1.617 0 40 FDAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N1c2ccccc2CC[C@@H]1C 84705429 JTEXTORZIWWVML-SGMGOOAPSA-N 373.409 1.274 0 40 FDAB NC(=O)c1n[nH]c2ccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cc12 95460738 CIKKHKPGHLAJNK-ZDUSSCGKSA-N 366.381 1.742 0 40 FDAB C[C@@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)c1nnc2ccccn12 95479059 HRNHNOOOIVNERE-GFCCVEGCSA-N 364.365 1.423 0 40 FDAB Cc1noc(C)c1CN1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972470 IPMUVPRCYCYYAP-OAHLLOKOSA-N 374.407 1.962 0 40 FDAB CC(C)N1CCC[C@H](N2CCN(Cc3nnc(C(C)(C)C)o3)CC2)C1=O 95999515 HCARHWBUHDGSCH-HNNXBMFYSA-N 363.506 1.884 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)C1CC1 89465969 TVIZSTWRDMIKTL-UHFFFAOYSA-N 363.233 1.096 0 40 FDAB COC(=O)C[C@H](Cc1ccccc1)NS(=O)(=O)N1CCC[C@H](C)C1 75093730 KJBBSIZXQKJDHZ-HOCLYGCPSA-N 354.472 1.727 0 40 FDAB CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N 89977219 UMOKHHPAXBLDAW-OAHLLOKOSA-N 369.535 1.009 0 40 FDAB COc1ccc(CN2C(=O)CO[C@H]3CN(C(=O)c4ccccc4)C[C@H]32)cc1 67897573 BNWKPQUKHIGWRJ-MOPGFXCFSA-N 366.417 1.947 0 40 FDAB biogenic,in-vitro CCC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22519061 TVBMKPHZLVEOMC-AWEZNQCLSA-N 354.472 1.767 0 40 FDAB O=C(O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 33048051 AFVLAPJLLZLNJR-OAHLLOKOSA-N 357.410 1.713 0 40 FDAB Cc1ccc(OCCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 219016528 OEGGPRFZCGEQDQ-CALCHBBNSA-N 356.422 1.831 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccc(Cl)cc21 38832711 GADQZUOOBCVLTM-CQSZACIVSA-N 358.847 1.880 0 40 FDAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1nc(-c2ccco2)cs1 70655892 NDIXPTHNTHOLDF-UHFFFAOYSA-N 368.378 1.784 0 40 FDAB COc1cc2nc(=S)n(CCN3CCOCC3)c(O)c2cc1OC 138123258 KYLJNUAQUJEFQD-UHFFFAOYSA-N 351.428 1.821 0 40 FDAB COC[C@H](Cc1ccccc1)NC[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C 563639770 FBWBWDRCUQXFLS-JENIJYKNSA-N 356.470 1.787 0 40 FDAB COc1ccc([C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C(=O)O)cc1Cl 563820090 CCPKVVOZBHNBBL-VXGBXAGGSA-N 361.803 1.168 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225515219 VMPWVSHJCQKQGX-QWHCGFSZSA-N 354.410 1.445 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cccc2[nH]ccc12 225806674 SGTLFGXKUHRCJL-UHFFFAOYSA-N 354.391 1.663 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1 225236619 QKTGDYCWCIYCII-UHFFFAOYSA-N 365.480 1.740 0 40 FDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3ccccn3)n2)s1 49030763 NCSRWFWCMIKBMF-UHFFFAOYSA-N 355.423 1.809 0 40 FDAB Cc1nc(CN2CC[C@@]3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1 96224363 PGGLLTKPPLHWOR-QGZVFWFLSA-N 350.488 1.354 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247451330 ZYHGBFXNNVTIAA-FRRDWIJNSA-N 357.439 1.209 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@H]3C1=O 249698250 VSEZDCVWCRRUNX-OEMYIYORSA-N 367.449 1.590 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3cccc(C)n3)CCO2)n1 257203039 AOJBKRUSPYCPJA-INIZCTEOSA-N 355.398 1.030 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3cccc(C(=O)O)c3)ncn2)C1 257238389 HKTMVZXURJOSCM-LBPRGKRZSA-N 361.423 1.666 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 257238325 HKLJHURVVKOXHC-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)ccc1F 253472065 INTQZRGBFUYGFA-HNNXBMFYSA-N 367.398 1.917 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1Cc1ccc(Cl)cn1 257304401 SLLGRFBRMARLJP-LBPRGKRZSA-N 356.835 1.435 0 40 FDAB Cc1noc(C)c1CCC(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1 257326717 WYHRDJKRZRRZOU-GOSISDBHSA-N 359.430 1.114 0 40 FDAB COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1 278900848 QZHAZOKWZGQBMB-HIFRSBDPSA-N 361.435 1.169 0 40 FDAB Cc1ncc(CN2CCN([C@H]3CCCCN(CC(=O)O)C3=O)CC2)s1 643875298 QNHDBKUYXCMXSZ-HNNXBMFYSA-N 366.487 1.035 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCO1 666516445 UAZNKFDLHAXVMI-LBPRGKRZSA-N 362.304 1.623 0 40 FDAB COc1cc(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)ccc1F 1615546053 FBCAMQBLXUSBOE-ZOBUZTSGSA-N 362.401 1.829 0 40 FDAB Cc1cccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)c1C 56999928 RFHDAAWNYMZETI-UHFFFAOYSA-N 369.469 1.835 0 40 FDAB O=C1CCSC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)N1 75171348 LUADJRHYDHILBD-AWEZNQCLSA-N 353.875 1.610 0 40 FDAB CC1CCN(C(=O)CN2CCN(C[C@H](O)c3cccs3)CC2)CC1 85436931 YVTRXXZZWBWMFT-INIZCTEOSA-N 351.516 1.658 0 40 FDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 76069901 ITXUHYLGXNYKGD-TZMCWYRMSA-N 350.394 1.438 0 40 FDAB O=C1OC2(CN(CC3CCOCC3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549161643 HRQQQQBBOOAWBQ-LJQANCHMSA-N 371.481 1.804 0 40 FDAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCOCC3)c(=O)n12 12183433 YLHCCYXXTXTSAT-UHFFFAOYSA-N 355.398 1.026 0 40 FDAB CC(C)(C)NC(=O)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 12945810 WGPLEZSMACHOTA-UHFFFAOYSA-N 361.442 1.661 0 40 FDAB CCN(CC)C(=O)CN1CCc2c(nc(C3CCNCC3)nc2NC)C1 19711355 NJBIXPJSHNUMEI-UHFFFAOYSA-N 360.506 1.212 0 40 FDAB CNC(=S)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O 19822710 MSCHLLKBQZQLTC-UHFFFAOYSA-N 374.510 1.475 0 40 FDAB COC(=O)[C@H](CC(=O)CNC(=O)c1ccccc1)NC(=O)c1ccccc1 2045131 XEAYQSXSCODKHZ-KRWDZBQOSA-N 368.389 1.347 0 40 FDAB in-vitro COc1ccc2c(c1)CN(C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1C)CC2 643662013 GJWMFXNSGRZGJO-MOPGFXCFSA-N 354.454 1.625 0 40 FDAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 17041258 JASKRQVEYBXWEL-MRXNPFEDSA-N 371.437 1.587 0 40 FDAB CSCc1cnc(CNC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)s1 594978588 GARPIOFUKKVYKZ-HOCLYGCPSA-N 367.544 1.901 0 40 FDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccc(O)nn4)C[C@@H]3C2)nn1 1888844200 XVXKVBJJJRMKQO-STQMWFEESA-N 368.441 1.478 0 40 FDAB O=S(=O)(NC1CN(C2CCOCC2)C1)c1cccc(C(F)(F)F)c1 1888879124 OSWUWBGZDGWUKF-UHFFFAOYSA-N 364.389 1.847 0 40 FDAB Cc1nc(N2CCN(c3ncnc4n[nH]cc34)CC2)cc(C(F)(F)F)n1 1888880060 PNZODMZIWQBEBL-UHFFFAOYSA-N 364.335 1.797 0 40 FDAB Cn1ccc(C(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)n1 1888888148 FKJWFLFYDKKMQA-UHFFFAOYSA-N 366.400 1.979 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)nn12 1888904305 NWYAXJZBXSWFGE-OKILXGFUSA-N 363.425 1.290 0 40 FDAB Cn1c(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)nc2ccccc2c1=O 1888941686 QDIFMTPKCSNIEW-HZPDHXFCSA-N 374.400 1.559 0 40 FDAB Cc1cc(C)nc(N2CCC[C@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)n1 2056225632 UXKLSEOOWKORQI-IBGZPJMESA-N 353.426 1.426 0 40 FDAB Cc1nc(CN2CCOC3(CCN(C(=O)[C@H]4CCOC4)CC3)C2)cs1 1565546874 BAQSAGVUSIOSJK-HNNXBMFYSA-N 365.499 1.681 0 40 FDAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1 1565547930 YRKVZDVNHMNGHM-CQSZACIVSA-N 357.389 1.055 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC[C@H](C)C2)n1 9037499 HZVWMZRUSLDFDC-NSHDSACASA-N 372.429 1.023 0 40 FDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342475 WLSLCFZBPNBJEP-OAHLLOKOSA-N 357.410 1.146 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(F)cc(F)cc2s1 16847898 QRPBOFDRFPNICB-SECBINFHSA-N 361.395 1.937 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cnn(C)c2)C1 2055751379 PYKAQINDZPKJNI-LJQANCHMSA-N 355.442 1.595 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)O1 2055794337 LLMCDSUEZYCNRH-BZUAXINKSA-N 374.485 1.672 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 575413865 HZFRUJCPFUQHJY-CYBMUJFWSA-N 369.356 1.006 0 40 FDAB O=c1ccc(N2CCN(c3ncccn3)CC2)nn1Cc1ccc(F)cc1 2298064979 KBBZJUPKRCJHIP-UHFFFAOYSA-N 366.400 1.547 0 40 FDAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 12438114 YOGHBWVJVKFAPS-UHFFFAOYSA-N 371.441 1.125 0 40 FDAB C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12 32459798 DSDLHYJBGKGUJY-KGLIPLIRSA-N 351.414 1.613 0 40 FDAB O=C(N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1ccccc1 40017348 MBPCNFOUKYERNV-IAGOWNOFSA-N 372.446 1.461 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 40150059 MIJXTTGKRMGLHO-LBPRGKRZSA-N 359.835 1.107 0 40 FDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)nn(C)c2C)N(C)C)cc1 40266838 APRUAIZXVWPAKV-MRXNPFEDSA-N 373.457 1.403 0 40 FDAB CCOc1ccc2nc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@H]43)sc2c1 32831686 NAYSQHNDRSRZJC-BXKDBHETSA-N 352.437 1.845 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 33002051 MYPUGLHMOOXPPT-OAHLLOKOSA-N 354.428 1.039 0 40 FDAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 76060748 DXSIXAAPDVGNPK-UHFFFAOYSA-N 361.489 1.180 0 40 FDAB CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](Nc2ccccc2)C1 79112640 KRGXINCFMXGHIJ-OAHLLOKOSA-N 360.501 1.327 0 40 FDAB CC(C)Cc1nc2n(n1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 4734790 DIHKYQCRADQJHG-LBPRGKRZSA-N 358.358 1.907 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)c1ccc(Br)o1 103906455 HKXUFIBIJXJSNP-LDDIKCJXSA-N 365.183 1.884 0 40 FDAB O=C(CSc1nnc(CCN2CCOCC2)o1)Nc1ccc(F)cc1 22714115 JRJFZPXSYHSEKQ-UHFFFAOYSA-N 366.418 1.814 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)C(C)C 7804141 WBKLPKDQMWCXEV-AWEZNQCLSA-N 354.472 1.790 0 40 FDAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)N[C@H]1CCS(=O)(=O)C1 42872320 YMUIQEKLGBRWMG-HIFRSBDPSA-N 370.471 1.165 0 40 FDAB Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O 25426354 UYOHHJLXJHGFLK-UHFFFAOYSA-N 362.433 1.892 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N1 9939451 JQWUGMCECZVQTK-ZIAGYGMSSA-N 350.440 1.795 0 40 FDAB O=C([C@H]1CSCN1C(=O)COc1ccccc1F)N1CCSCC1 58111683 IYTLAUXDGPKFNO-CYBMUJFWSA-N 370.471 1.681 0 40 FDAB CN1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 48277394 RYHXMLYOMFUSIZ-LJQANCHMSA-N 369.440 2.000 0 40 FDAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 20745954 RZDUMSSQIKJQRJ-JTQLQIEISA-N 350.176 1.871 0 40 FDAB CN1C(=O)N(C)[C@@H]2[C@@H]1N(CN1CCCCC1)C(=O)N2CN1CCCCC1 2226389 VXQIGHVZYQZUHN-HOTGVXAUSA-N 364.494 1.260 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1 20245016 SDRKPJZVLMNEDI-UHFFFAOYSA-N 365.430 1.755 0 40 FDAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NCC(F)(F)F 3393187 UIZVTNFBPHSYFF-SNVBAGLBSA-N 362.329 1.711 0 40 FDAB Cc1nn(CC(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2ccccc12 21302713 RSMQFJDQQGWPNY-CQSZACIVSA-N 365.389 1.661 0 40 FDAB 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CCCN1CC[C@H](NS(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)C1 625284010 MTSBCZBTUAJZKB-DLBZAZTESA-N 358.479 1.787 0 40 FDAB Cc1ccc(OCCN(C)C(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2C)cc1 643623477 DEXCOPLRRIHOIZ-MOPGFXCFSA-N 356.470 1.877 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccccc1N1CCCCC1 644421959 WUVHCEJALCAJGP-GOSISDBHSA-N 359.470 1.667 0 40 FDAB CN1C(=O)C[C@H](C(=O)NC2(C)Cc3ccccc3C2)[C@H]1c1nccn1C 1615588106 CFYYOXDXMVYDHK-RDJZCZTQSA-N 352.438 1.613 0 40 FDAB O=S(=O)(c1cncc(F)c1)N1CCC[C@@H](c2nncn2C2CC2)C1 679852940 UFNSOYCEKKKOKL-LLVKDONJSA-N 351.407 1.715 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)c1C 681566099 HRSPVUYKOJSTGX-CYBMUJFWSA-N 373.381 1.902 0 40 FDAB CCOCCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1[C@H]2CCCC[C@H]21 1775993413 ZZTKMFDFZLRIIH-HTBDUDNFSA-N 364.486 1.678 0 40 FDAB CC(C)c1n[nH]cc1C(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2nccn2C)C1 1775960917 MXONQRILCSBOEW-HUUCEWRRSA-N 370.457 1.401 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390826858 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0 40 FDAB CCN(CC(=O)NCc1ccc(OC)c(OC)c1)CC(=O)NC(C)C 6561214 IOOZQOFLLDCRJY-UHFFFAOYSA-N 351.447 1.167 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 6623427 HBNMACKYUBRHNS-UHFFFAOYSA-N 368.436 1.849 0 40 FDAB COCCCNC(=O)CSc1nc2c(-c3ccccc3)cnn2c(=O)[nH]1 15083812 HEKMUHSYQLGOMS-UHFFFAOYSA-N 373.438 1.329 0 40 FDAB COc1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1OC 7002218 IZUNNXDTCWGXKN-UHFFFAOYSA-N 370.453 1.537 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7044099 UCVGXGSXLPSQMT-JEOXALJRSA-N 370.409 1.471 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)C1 7131668 RHPNNKAARDUMLZ-BBATYDOGSA-N 365.380 1.990 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COC(=O)c2sccc2C)c2ccccc2O1 9337848 QMIJGGFJOMIHCP-AWEZNQCLSA-N 374.418 1.754 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2CCSC2=O)c1C 16145511 YUWRSOUIPBAEGD-UHFFFAOYSA-N 371.484 1.661 0 40 FDAB C[C@@H](NC(=O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 9486787 WJQHPORHRUVXBS-CYBMUJFWSA-N 364.405 1.459 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 16400222 SWUMRECRYFQSQL-SFHVURJKSA-N 357.366 1.372 0 40 FDAB C[C@H]1CCCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)C1 8132675 YHTBTGGLBJOBKQ-NWDGAFQWSA-N 373.500 1.397 0 40 FDAB CN(C)S(=O)(=O)CCCN1C(=O)N[C@]2(CCCc3sccc32)C1=O 95349276 BJAPIDZOMDSSLO-HNNXBMFYSA-N 371.484 1.113 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1 84625167 BKBCIVOYJVFQAL-UHFFFAOYSA-N 354.472 1.319 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccon2)cc1C(=O)N(C)C 95461648 CEGJLNNQFNIDDH-SNVBAGLBSA-N 353.400 1.425 0 40 FDAB Cc1nc2ccc(NC(=O)C(=O)NCCc3nnc4n3CCC4)cc2s1 95461156 LKWZAQITGNGWQS-UHFFFAOYSA-N 370.438 1.440 0 40 FDAB Cn1ccnc1CN1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972365 MCSWQYGNBVZOIV-ZDUSSCGKSA-N 359.396 1.091 0 40 FDAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306136683 QAEBOIVLILRCEA-UHFFFAOYSA-N 371.441 1.880 0 40 FDAB CC1CCN(C(=O)[C@@H](C)N2CCCC[C@H](N3CCN(C)CC3)C2)CC1 89929931 FYIPAPKPWFFYRB-MOPGFXCFSA-N 350.551 1.735 0 40 FDAB 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371.372 1.780 0 40 FDAB COC[C@]1(C)NC(=O)N(Cc2cc(Br)cnc2OC)C1=O 663965636 IPWJDKBSRUBGDQ-ZDUSSCGKSA-N 358.192 1.310 0 40 FDAB CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc3c(c1)N(C)CC3)C2 1775956878 UGAYLBKKSWKNPW-RBAQFSTRSA-N 357.498 1.888 0 40 FDAB Cc1cc2nc(NC(=O)c3cncc(-n4ccnn4)c3)cc(N(C)C)n2n1 1775997814 RRUWKLYQVVNNDJ-UHFFFAOYSA-N 363.385 1.332 0 40 FDAB CCc1ccnc(CNC(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c1 652095481 IYCMEEXVAPMCAD-AWEZNQCLSA-N 374.441 1.251 0 40 FDAB COC[C@@]1(CC(N)=O)CN(C(=O)Cc2ccc3ccccc3c2)CCO1 585278217 NKGJIDMPGPUPTJ-HXUWFJFHSA-N 356.422 1.502 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H]2CCO[C@H]21 585109234 DOKXYWMXPDMOPT-AOIWGVFYSA-N 372.396 1.894 0 40 FDAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(c3cnccn3)C[C@H]12)C1CC(O)C1 585109768 RNNNFKSTTWLBID-ZUWLNOFUSA-N 350.422 1.638 0 40 FDAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000112 JJGDBNHNKSIVPW-UHFFFAOYSA-N 353.378 1.025 0 40 FDAB O=C(O)c1ccc(C(=O)[C@@H]2C[C@@H](C(=O)O)CC[C@@H]2S(=O)(=O)O)cc1 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COc1ccc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1Cl 5279209 GVNZHRUAUCOKLY-UHFFFAOYSA-N 367.833 1.758 0 40 FDAB Cc1cc2c(N3C[C@@H]4CN(c5nc(C)c(F)c(O)n5)C[C@H]4C3)nccn2n1 1888897900 IAFPZMKZEWYLCK-CHWSQXEVSA-N 369.404 1.553 0 40 FDAB Cc1cc(=O)n(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cn1 1888958973 ZSQGUIHQIRELKK-UHFFFAOYSA-N 363.421 1.901 0 40 FDAB O=C(Cn1ncccc1=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238883250 PPVVDZJNTWSZLM-LLVKDONJSA-N 357.395 1.371 0 40 FDAB Cc1nccn1CCC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037978464 XQJJTYGGRJEJEW-FQEVSTJZSA-N 368.437 1.616 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565550527 BFBZLNZDVPVETR-QFBILLFUSA-N 355.442 2.000 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nccs2)C(=O)C1 1565523249 IXAWSWLCGYCQOD-UHFFFAOYSA-N 371.415 1.328 0 40 FDAB CN1C(=O)c2cccc(NC(=O)c3ccccc3S(C)(=O)=O)c2C1=O 5222983 SEAHLUJBBSJPSZ-UHFFFAOYSA-N 358.375 1.568 0 40 FDAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@@H]1CCCO1 10251729 NNNYKJJORVYWOA-ZDUSSCGKSA-N 359.773 1.485 0 40 FDAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccc(F)cc1 11665951 XEYNTLKWRDWMNT-UHFFFAOYSA-N 370.388 1.232 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3ccccc3)CC2)[nH]1 2055745559 JSGNADLCAPBOTJ-UHFFFAOYSA-N 367.497 1.911 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 2298180911 AYONBWASBBXGTF-SJORKVTESA-N 361.490 1.047 0 40 FDAB Cc1nccn1[C@H]1C[C@H]2CN(C3COC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242535 MPNISZYHVKHTDY-MVJTYMMSSA-N 355.442 1.711 0 40 FDAB Cc1ccc(OCCN(C)C(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 30586761 HJUYXVOKFJGJDC-UHFFFAOYSA-N 366.421 1.782 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccccc1 102000735 UZSNMXSIOZYJFM-JKSUJKDBSA-N 367.340 1.758 0 40 FDAB CC(=O)N1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 29943969 ROMCIJDHHMGEBL-UHFFFAOYSA-N 373.482 1.441 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 78918003 OSOBFADHYQTNOQ-ZIAGYGMSSA-N 356.467 1.335 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)C1 53275763 VIIVPHNJBDGHBG-CQSZACIVSA-N 372.421 1.783 0 40 FDAB CC1(C)O[C@H]2O[C@@H]([C@@H]3COC(=O)O3)[C@H](OC(=O)c3ccccc3)[C@H]2O1 4783396 PNZYAHZGYPKPDY-XOBFJNJYSA-N 350.323 1.624 0 40 FDAB CCn1nnc(NC(=S)NC(=O)c2ccccc2Br)n1 6605495 LLOJLCDYJFHZOI-UHFFFAOYSA-N 355.221 1.582 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 6654249 OGZGEPCJFAYIFL-MRXNPFEDSA-N 366.805 1.343 0 40 FDAB CCN1CCN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)CC1 6664018 KVLXDQMNABWRSO-UHFFFAOYSA-N 372.860 1.915 0 40 FDAB C[C@@H](C(=O)O[C@H](C)C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O 7806970 QSHOTWIEQJSSEO-NWDGAFQWSA-N 358.394 1.662 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 10112711 OEZLZEFRJPKYDW-UHFFFAOYSA-N 354.428 1.473 0 40 FDAB Cc1ccccc1[C@H](C)NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23351893 TZTZLDMZJPVSOT-LBPRGKRZSA-N 373.482 1.919 0 40 FDAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(C(=O)O)o1 107641278 JVXFLXMODHBLGN-IZZDOVSWSA-N 374.374 1.911 0 40 FDAB COc1ccc2cc(CN(C)Cc3cc(=O)n(C)c(=O)n3C)ccc2c1 57449664 ZBNFDMWYALEYPI-UHFFFAOYSA-N 353.422 1.878 0 40 FDAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)C1 57354585 UEKRXRFZNXQTCL-HNNXBMFYSA-N 373.453 1.517 0 40 FDAB CN1Cc2c(C(=O)NCC(F)(F)F)ncn2-c2ccccc2S1(=O)=O 105134319 ZMAJDOOLJMZSLP-UHFFFAOYSA-N 374.344 1.299 0 40 FDAB CCCn1c(C)cc(C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c1C 26169323 GHOOUSRQRBNBRW-UHFFFAOYSA-N 370.519 1.122 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)NCCc1c[nH]c2ccccc12 35286741 RHBXIOVZISJLIQ-UHFFFAOYSA-N 354.454 1.381 0 40 FDAB O=C(NCc1ccnc(N2CCCC2)c1)N1CCN(c2ncccn2)CC1 26303677 DAUKIROPPATLGC-UHFFFAOYSA-N 367.457 1.504 0 40 FDAB O=c1cc(CO)oc(CN2CCN(c3ccccc3Cl)CC2)c1O 57315427 FHIQTVOOAAXXBQ-UHFFFAOYSA-N 350.802 1.813 0 40 FDAB C[C@H](O)CN1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@@H]1C 108163325 VTPBZGLNDAUDQL-STQMWFEESA-N 365.865 1.584 0 40 FDAB CCCn1c(CCC(=O)N(CC)CC)nc2cc(S(N)(=O)=O)ccc21 27474767 JNOKVEHFKQKHFN-UHFFFAOYSA-N 366.487 1.895 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 58193567 GZXBGHQADBNUMR-LBPRGKRZSA-N 370.519 1.598 0 40 FDAB Cn1ccnc1[C@@](O)(CC(=O)NCCOc1ccccc1)C(F)(F)F 58162177 QZIXMTGSHMNOBX-HNNXBMFYSA-N 357.332 1.755 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccno3)cs2)CC1 44891949 OCCRINNGWILKCL-UHFFFAOYSA-N 371.440 1.866 0 40 FDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 12693566 QCCHALWJIVGRKR-HUUCEWRRSA-N 356.378 1.753 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCc1ccccc1F 12768984 YNLXNGUMYREFHN-UHFFFAOYSA-N 369.400 1.833 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@@H](C)CC[C@@H]2CCCO2)cc1OC 58363447 CNDWSJTWKINZCN-ZFWWWQNUSA-N 364.442 1.898 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccc2c(c1)OCO2 102901552 JOCPUQZRMWFHGW-ZIAGYGMSSA-N 356.378 1.025 0 40 FDAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)c1 26503482 PPRFHLVUVGLHSR-MBNYWOFBSA-N 362.304 1.514 0 40 FDAB NC(=O)C1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 12848839 QWLOBDUUKUBVHX-UHFFFAOYSA-N 367.453 1.886 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CSC(C)(C)C(=O)N2)cc1 12892595 LZRNVPIJWWZINT-LBPRGKRZSA-N 352.412 1.187 0 40 FDAB COCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)cc1 8705978 NOAPNUBICFMOOZ-SNVBAGLBSA-N 355.354 1.683 0 40 FDAB COc1ccc(CC(=O)Nc2ccc(OCC(N)=O)cc2)c(OC)c1OC 13012534 ROVPRPVETMCTQU-UHFFFAOYSA-N 374.393 1.758 0 40 FDAB CCC(NN1CCCC[C@@H]1c1cccnc1)=C1C(=O)N(C)C(=O)N(C)C1=O 3999775 CWVGJTQDAHZJCP-OAHLLOKOSA-N 371.441 1.828 0 40 FDAB biogenic C[C@@]1(NC(=O)c2ccc(CN3CCCC3=O)cc2)CCS(=O)(=O)C1 39978227 WWFKGNGGAWSCGM-QGZVFWFLSA-N 350.440 1.116 0 40 FDAB O=c1/c(=C/c2cccnc2)sc2n1CN(c1cccc(Cl)c1)CN=2 5482995 IUPRAVZIAJXVRC-CHHVJCJISA-N 356.838 1.842 0 40 FDAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCNC2=O)cc1 6915518 XLOAOZSACXCJOA-UHFFFAOYSA-N 366.373 1.935 0 40 FDAB COC[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 7349376 PXPPTYJHQKRKBV-NSHDSACASA-N 359.403 1.829 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@H](C(N)=O)C1 7494191 GHRLWOPMFOCZIO-CABCVRRESA-N 360.458 1.048 0 40 FDAB Cc1cc(C)c2c(NC(=O)C(=O)NC[C@H](O)c3ccccc3)n[nH]c2n1 9421176 MKXGGXLCAXEEHP-ZDUSSCGKSA-N 353.382 1.363 0 40 FDAB Cc1noc(C)c1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 7777810 VUCQFHNHFSEQCK-KGLIPLIRSA-N 356.444 1.029 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O 7920802 LUWDVQQLBBPGLW-UHFFFAOYSA-N 358.442 1.460 0 40 FDAB CC(C)c1cc(NC(=O)COC(=O)c2ccccc2OCC(N)=O)on1 9544397 LTUSGXXXMROUKG-UHFFFAOYSA-N 361.354 1.458 0 40 FDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCNc1nc2ccccc2s1 95356856 HHLVHUQNZIJLDH-NSHDSACASA-N 353.469 1.649 0 40 FDAB NC(=O)[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2ccccn2)n1 95467542 ZFZZLVFSLQVSHH-JTQLQIEISA-N 353.304 1.248 0 40 FDAB COCCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999116 WKDSFOXPFNDHBE-HNNXBMFYSA-N 352.456 1.406 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 408548160 DNFOKCGSSGIWJW-NTEUORMPSA-N 369.333 1.241 0 40 FDAB CC(C)(C)NC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306131258 JZIYXIFUMXSYOW-UHFFFAOYSA-N 359.474 1.771 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H](CC(N)=O)NC(=O)OCC(C)C)c1 409002479 NRYUZSMQZRHVNO-CYBMUJFWSA-N 367.402 1.269 0 40 FDAB O=C(CNC(=O)C1CC1)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 532611975 WWGTZXKPMAFUFX-HNNXBMFYSA-N 373.409 1.231 0 40 FDAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cn1 30535007 VIIIWUUULNTBTJ-HWKANZROSA-N 352.438 1.713 0 40 FDAB Cc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)cc1C 71328192 WCBSGIBGXPZDKM-UHFFFAOYSA-N 366.425 1.747 0 40 FDAB COCCNC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)cn1C 49550713 UJYIRPGVLMAFSP-UHFFFAOYSA-N 350.802 1.994 0 40 FDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2cscn2)CC1 49975170 VDIYAEKCRKXGCU-UHFFFAOYSA-N 359.423 1.928 0 40 FDAB CC(=O)N1CCN(C(=O)c2onc(-c3ccc(F)cc3)c2[C@H](C)O)CC1 225433120 HURNPHNGUMFTEX-NSHDSACASA-N 361.373 1.838 0 40 FDAB biogenic,in-vitro COc1ccc(SCC(=O)NCCCN2CCOCC2)cc1OC 44903175 PUIOGIRSYQGVJE-UHFFFAOYSA-N 354.472 1.634 0 40 FDAB COc1ccccc1O[C@@H](C)CNS(=O)(=O)N1CCC(C(=O)O)CC1 572599064 MCULHXOXXPYYPR-LBPRGKRZSA-N 372.443 1.094 0 40 FDAB C[C@H](NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)c1ccnc(O)c1 576970620 NQXKFXQGQOFKDF-HXPMCKFVSA-N 355.394 1.371 0 40 FDAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@H]12 96056307 SWNWCOLEHOLPPT-QILLFSRXSA-N 356.426 1.679 0 40 FDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)c3cccnc3)C2)n1 96041224 XEDHYFWEKURYHA-IACUBPJLSA-N 350.400 1.109 0 40 FDAB CC(=O)c1cn(CC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)nn1 583064732 HHTYWVAQUQAZAP-HNNXBMFYSA-N 356.382 1.616 0 40 FDAB O=C(c1ccncc1)N1CCO[C@@]2(COCCN(c3cccnc3)C2)C1 96229472 LMNQLZCQHSETID-LJQANCHMSA-N 354.410 1.225 0 40 FDAB COCCNC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 247834718 ISRALRAEVZUKFX-INIZCTEOSA-N 366.824 1.995 0 40 FDAB N[C@@H]1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)C1 585086621 YZIJAIUHLJPYHE-DSQDWWTGSA-N 366.450 1.959 0 40 FDAB CC(C)Cc1cc(C(=O)N2CCC[C@](O)(CN(C)C)CC2)nc(O)n1 257256699 KMMLRSMDYDVDHF-GOSISDBHSA-N 350.463 1.300 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCN(Cc4cncs4)C3)ccnc12 257279212 OFNWOCQNSPWNAJ-GFCCVEGCSA-N 356.455 1.925 0 40 FDAB CC(=O)N[C@H]1CN(C(=O)Cn2c(C)cc3ccccc32)C2(CCNCC2)C1 257279118 OFCHAHGCVUHSLN-GOSISDBHSA-N 368.481 1.809 0 40 FDAB CN1CC[C@H]2C[C@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260838659 UGXXOVDCZATOHP-ZANVPECISA-N 364.345 1.948 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)Cc1cccc2ccc(OC)cc12 643940878 SRFOQXJRBOOUCT-HXUWFJFHSA-N 356.422 1.884 0 40 FDAB COc1ccc(CN(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2C)cc1C 644336609 OZWZPGXOJQEOHX-OAHLLOKOSA-N 354.472 1.081 0 40 FDAB COc1cccc(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1F 655525337 NWGRUOFKZMFLEI-UHFFFAOYSA-N 358.435 1.854 0 40 FDAB CS(=O)(=O)N1CCC(N2CC[C@@H](O)[C@H](Cc3ccccc3)C2)CC1 585275848 KGSCUESLJVUKRB-SJLPKXTDSA-N 352.500 1.336 0 40 FDAB Cn1cc(/C=C/C(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCC[C@H]32)cn1 585289836 KRDBWFPLRCQWBQ-AXNNXNFKSA-N 371.441 1.001 0 40 FDAB O=C(Cc1ccccc1C(F)(F)F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685943013 ZTURHWUANBHBER-UONOGXRCSA-N 355.316 1.934 0 40 FDAB CCOC(=O)[C@@H]1CN(C[C@H]2CCOC2)C[C@]12COc1ccccc1C(=O)N2 72334292 BHSIHQBSOUVKMB-IIMJZQEZSA-N 374.437 1.079 0 40 FDAB CN(C(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 87006165 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TXOXZPIGFGMWIT-FPCVCCKLSA-N 364.829 1.867 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 21497530 ANTKOAMOWBPZHL-INIZCTEOSA-N 368.418 1.916 0 40 FDAB CCNC(=O)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C 32954699 ZYXHKUAHRALAES-OAHLLOKOSA-N 363.414 1.138 0 40 FDAB COc1ccc2cc([C@@H]3CC(=O)NC4=C3C(=O)OC4(C)C)c(=O)[nH]c2c1 72324669 LEMOUMGFCLYFKA-NSHDSACASA-N 354.362 1.730 0 40 FDAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 809634 HTGOYYSPGRRHOT-CYBMUJFWSA-N 352.456 1.765 0 40 FDAB COC(=O)c1cn(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)OC 1608279 UMXSVLNMJVBOPN-UHFFFAOYSA-N 368.367 1.002 0 40 FDAB O=C(NCc1ccco1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6759056 JUCBXOUDXLICGZ-PASDCYSWSA-N 354.362 1.471 0 40 FDAB O=C(CNC(=O)c1ccc(CN2CCCC2=O)cc1)NCc1ccco1 7953747 RGTYGDFYYGVBDB-UHFFFAOYSA-N 355.394 1.448 0 40 FDAB Cc1cc(NC(=O)CN2CCN([C@H](C)c3nc(C(C)C)no3)CC2)no1 22916824 SGUOSZRKIXHXCC-CYBMUJFWSA-N 362.434 1.807 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cnc21 104705138 VQBNORJZLPWQMQ-UHXUPSOCSA-N 356.426 1.659 0 40 FDAB COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccccc3)C2=O)c1 24086892 WYXIESVUCHIOFA-YWZLYKJASA-N 370.405 1.902 0 40 FDAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 8548222 YYTXMCLVOIEMEK-GOSISDBHSA-N 359.357 1.844 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 106577470 DWWSEHWNTURWHE-KCNJBTMXSA-N 360.907 1.716 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1Br 100502148 RSJFUECLXYFTIV-WFGGJUAMSA-N 364.195 1.563 0 40 FDAB Cc1cc(C)cc(OCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 44681278 QDOBEGCVJVXQRR-UHFFFAOYSA-N 359.470 1.495 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1N1[C@@H](O)c2ccccc2S1(=O)=O 58161070 WWEQTWXXGHAZFH-HNNXBMFYSA-N 353.421 1.598 0 40 FDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 58244856 KKANDHLLWGXAOU-VIFPVBQESA-N 350.362 1.593 0 40 FDAB CN1CCC(N(C)C[C@@H](NC(=O)c2cnn(C)c2)c2ccccc2)CC1 58297344 ZUUOENHKXIRQBE-LJQANCHMSA-N 355.486 1.917 0 40 FDAB CON(C)S(=O)(=O)c1cccc(C(=O)NCCc2cccs2)c1 12694164 VGNWZRHMXBEPRM-UHFFFAOYSA-N 354.453 1.903 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N1CCOCC1 58323277 LWQRBWWOOMFFMC-UHFFFAOYSA-N 354.472 1.321 0 40 FDAB Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 12695527 VPWGZLYSWBBQTG-AWEZNQCLSA-N 365.455 1.106 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1Cc1ccccc1 12738214 JARVOQAMXMOXTB-MRXNPFEDSA-N 363.417 1.924 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1 8718943 PIPNWFKUZUDWOU-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)NC1CCCCC1 13778509 XVOGGUSAABMAFY-RRFJBIMHSA-N 351.447 1.703 0 40 FDAB CCCn1nnnc1Cn1cnc2c(cnn2-c2cc(C)cc(C)c2)c1=O 14117540 RGKAFSDIESVTED-UHFFFAOYSA-N 364.413 1.644 0 40 FDAB O=C(COc1ccc(I)cc1)NC[C@H]1CCCO1 8911305 LQPYIPNEUJQWSM-GFCCVEGCSA-N 361.179 1.965 0 40 FDAB CCOc1c(OC)cccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCOC 4986976 XZNVWHGYDUTWBB-OAHLLOKOSA-N 364.398 1.911 0 40 FDAB CCCO[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 67110722 FAYPNRKXAUBHGB-QMTMVMCOSA-N 365.474 1.905 0 40 FDAB C/C(Cl)=C/Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 7425597 SRGZWCMDUDJFAG-WDZFZDKYSA-N 351.838 1.802 0 40 FDAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2S(C)(=O)=O)C1 7462924 LNBMTOJVADPOED-ZDUSSCGKSA-N 368.455 1.304 0 40 FDAB Cc1csc([C@@H](C)NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)n1 96000185 SRDTXWDEBSDXIK-GFCCVEGCSA-N 365.480 1.957 0 40 FDAB C[C@H]1CCCCN1C(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 8072734 MDDDYYLAVVHHAW-QWRGUYRKSA-N 359.473 1.465 0 40 FDAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(F)c1 9315287 MQOAXKAKFFBEKY-LBPRGKRZSA-N 365.430 1.932 0 40 FDAB CN(C(=O)CSc1ncnc2sccc12)[C@H]1CCS(=O)(=O)C1 8395045 KXNYLRSVAAXSGD-VIFPVBQESA-N 357.482 1.429 0 40 FDAB Cc1nn(C)c2[nH]c(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc(=O)c12 72307029 GZNHAIGFWYMBDS-HNNXBMFYSA-N 371.416 1.742 0 40 FDAB CC1=C/C(=C2\C(=O)NC(=S)N=C2O)C=C(C(F)(F)F)N1CCN(C)C 19910878 WKJODVMFQZJSAU-UHFFFAOYSA-N 374.388 1.881 0 40 FDAB Cc1cccc(C)c1OCC(=O)Nc1cc(S(N)(=O)=O)ccc1O 95458461 KHWXLODBOHAJTB-UHFFFAOYSA-N 350.396 1.674 0 40 FDAB CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)CC1 95948467 FNEWYHQHIPGGOL-HNNXBMFYSA-N 369.469 1.316 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCc1ccccc1 9962005 CPSXVUURJZZGOX-UHFFFAOYSA-N 361.467 1.979 0 40 FDAB CCc1ccc([C@H](C)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 75478665 KUGHKPZOEGMJJO-XJKSGUPXSA-N 366.483 1.162 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306129031 HRWSXFJJOYCKLJ-YCPHGPKFSA-N 364.467 1.270 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218123157 ZNPNBRPOGYECEM-GVDBMIGSSA-N 367.854 1.978 0 40 FDAB COc1cccc(NC(=O)CN2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)c1 72341839 BWDJSMIBFYCPHY-UHFFFAOYSA-N 371.441 1.602 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2[nH]1 526052589 PGPRKZVFNNUNBX-ZUZCIYMTSA-N 370.413 1.995 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217555038 DJAXZMCXOYJYEZ-GFCCVEGCSA-N 356.444 1.910 0 40 FDAB CC1(C)CC(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)CC(C)(C)N1 72260037 PFTSQAGZHPQGAO-UHFFFAOYSA-N 373.501 1.703 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70997341 DGKVCPXJMVUIIO-ZZXKWVIFSA-N 350.382 1.617 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1 217729504 MYGGCMGHANHIFH-UHFFFAOYSA-N 350.352 1.050 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)OCC(=O)c1ccc(Cl)cc1Cl 223809552 IDGDDEXLWROQOH-UHFFFAOYSA-N 371.176 1.660 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2COc3ccccc3O2)C1 225807780 WNYKTBLVRIOVCD-SWLSCSKDSA-N 357.366 1.305 0 40 FDAB CCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 225884958 QVQZMWVPIQYTLY-UHFFFAOYSA-N 364.519 2.000 0 40 FDAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225558826 FYSUIXFFSPYGOV-FRFSOERESA-N 364.467 1.626 0 40 FDAB CC(=O)N1CCc2c(NC(=O)NC[C@H]3CCCS3(=O)=O)cccc21 575636852 JQNCLLDTUAECCK-GFCCVEGCSA-N 351.428 1.294 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)nc(N2CCCC2)n1 226746925 IYJXRVYLMMXKTG-AWEZNQCLSA-N 357.458 1.516 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)cc1 96260880 LNTFZIBHUMSYRV-INIZCTEOSA-N 366.483 1.786 0 40 FDAB COc1cc(N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)ncn1 96209802 JCWLDJPKWGPMPY-MGPQQGTHSA-N 357.414 1.830 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3C)no1 96199504 JVZCDEYUCWMEGA-HNNXBMFYSA-N 354.410 1.999 0 40 FDAB O=C(Nc1cn(Cc2ccccc2)nn1)c1cn([C@H]2CCCNC2)nn1 581067364 HZTNGVYKVOXMOD-AWEZNQCLSA-N 352.402 1.095 0 40 FDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CC[C@](F)(CO)C1 332727656 SSAVCCVYGSVWJT-IEBWSBKVSA-N 365.449 1.393 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(CC1CCOCC1)C2 96050299 WILLERITMTWMJV-FQEVSTJZSA-N 361.461 1.975 0 40 FDAB CCS(=O)(=O)NCCNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 24588505 BPWROESIZXUXQC-ONEGZZNKSA-N 374.846 1.180 0 40 FDAB Cc1nc2sccn2c1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257338990 YZTJZGKLTJEBKH-ZFWWWQNUSA-N 350.488 1.802 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(OC)c(OC)c1 257342058 ZMXFKOUPZARGSG-KDOFPFPSSA-N 362.426 1.518 0 40 FDAB COc1cccc(Cc2cncc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2)c1 257324930 WQUFZIUTZDHVRX-QGZVFWFLSA-N 374.462 1.940 0 40 FDAB CCCCOc1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 274884590 XUKZLTLVHHNHHW-ZDUSSCGKSA-N 356.448 1.416 0 40 FDAB CN(C)C(=O)N1CCC(c2nc(CC(=O)NCc3ccco3)no2)CC1 278045212 TXDCABUTNMQQRD-UHFFFAOYSA-N 361.402 1.383 0 40 FDAB C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 681314123 OGWNDHZVYMJXPI-PUUNCGEASA-N 370.371 1.983 0 40 FDAB Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCSCC2)cc1 1775976337 YVNRLBCQMSQQDL-UHFFFAOYSA-N 370.540 1.871 0 40 FDAB CCN1C[C@@H](C(=O)Nc2nc3c(s2)COCC3)[C@H](c2cn(C)cn2)C1 1614996081 YEIWGODODWYKGF-VXGBXAGGSA-N 361.471 1.623 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1oc(Br)cc1C 643951446 BLHXHBWPQBUREC-CQSZACIVSA-N 359.220 1.718 0 40 FDAB CCOc1nc2ccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)cc2[nH]1 649140758 RIRLHXRYAQXACN-HNNXBMFYSA-N 358.442 1.945 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)C4CC(O)C4)C3)C2=O)n1 585101038 YIXQZWUPHXSZQD-LAGYLCCXSA-N 357.454 1.502 0 40 FDAB Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)n1 585097277 JODUSXKLXBRWQP-HNNXBMFYSA-N 358.446 1.404 0 40 FDAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585106800 IFYYQSUANCQBMT-NODKNVJMSA-N 352.438 1.911 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102590 BBCMQZZDUMLVRS-HNAYVOBHSA-N 361.442 1.783 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 585110732 KXEFROKSRZOPDE-GOSISDBHSA-N 361.373 1.848 0 40 FDAB Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](C)C(=O)N1CCNC1=O 29592512 XTVQXUAZGPVSSO-ZDUSSCGKSA-N 350.419 1.182 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 89404358 HIVALKVWKDCINO-CJNGLKHVSA-N 354.472 1.464 0 40 FDAB CCOC(=O)COCCN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 95964797 IASLXXJOFKGTBK-QGZVFWFLSA-N 352.362 1.563 0 40 FDAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(CC4CC4)C[C@H]23)n1 1549162165 OMMCEGUHHZOKLM-INIZCTEOSA-N 357.458 1.670 0 40 FDAB Cc1ncc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 12737772 QQEDZQSMGZUILC-CYBMUJFWSA-N 373.862 1.055 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C2=NC(=O)/C(=C3\C=CC=CN3C)O2)cc1 12762762 FUOWMLIBENVHLM-NXVVXOECSA-N 373.434 1.904 0 40 FDAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 14114533 HCGKZOCECFWURR-LBPRGKRZSA-N 350.362 1.763 0 40 FDAB O=C(C1CC1)N1CCc2c(O)nc([C@@H]3CCN(C(=O)C4CC4)C3)nc2C1 19015091 WIBRJJOHJPWQRC-CYBMUJFWSA-N 356.426 1.203 0 40 FDAB O=C(c1ccccc1F)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19347637 LSIFTUMNTDUPHX-ZDUSSCGKSA-N 355.329 1.879 0 40 FDAB CCN(CC)C(=O)CN1CCc2nc(C3CCNCC3)nc(NC)c2C1 19711082 MWVFGZOPJXGFCB-UHFFFAOYSA-N 360.506 1.212 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 19749822 HBBBZJXNOXGVRQ-UHFFFAOYSA-N 370.457 1.519 0 40 FDAB Cc1nnc2c(N3CCN(S(=O)(=O)c4cccs4)CC3)nccn12 238814244 BBFZUOUCOGLUOR-UHFFFAOYSA-N 364.456 1.005 0 40 FDAB O=C(c1cncnc1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984613 HCEWZJOYDACMPJ-LJQANCHMSA-N 352.394 1.372 0 40 FDAB O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614930014 VBSRPQLTRFHGTE-MRXNPFEDSA-N 368.437 1.582 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2=O)n1 1565545130 AJBMLHOMDALGFN-OEMYIYORSA-N 369.465 1.624 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)CCc4ccc[nH]4)C[C@H]32)cs1 1565544254 CHJJAZVZZPEJRB-SJORKVTESA-N 360.483 1.824 0 40 FDAB O=C(c1ccco1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773121 YROYQBJYJNQAMT-UHFFFAOYSA-N 370.331 1.786 0 40 FDAB Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)nn1 225467001 WIIQYXHDNNTAJJ-CQSZACIVSA-N 365.459 1.367 0 40 FDAB Cn1cc(-c2noc(CNS(=O)(=O)c3cccc4cccnc34)n2)cn1 575414884 ZCQYFMSGWWDPEP-UHFFFAOYSA-N 370.394 1.497 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncn3)C2)cc1 575610228 FRAJHWICSMAUMN-AWEZNQCLSA-N 362.411 1.277 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)n1 40156436 WUKNSLMNBJERQH-NSHDSACASA-N 365.415 1.437 0 40 FDAB COCCn1cnnc1S(=O)(=O)Cc1noc(-c2cccs2)n1 40152212 YFNHQRZZEMZCAW-UHFFFAOYSA-N 355.401 1.010 0 40 FDAB C[C@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O 40154085 OMNPQDGNZSBANT-SECBINFHSA-N 353.366 1.452 0 40 FDAB CC(=O)N[C@H](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31610516 PHFINIZVSLADAH-HUUCEWRRSA-N 372.874 1.553 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nccnc2C(=O)O)c1 32074654 QYWRZSVDOCZBNY-UHFFFAOYSA-N 359.294 1.000 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)n2nc(N)c3ccccc32)cc1 32912344 KXLLIFLJULRAQK-UHFFFAOYSA-N 374.422 1.232 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC2=NCCS2)C(C)C)c1 2661065 ZOWLWIJXWKUDAJ-CQSZACIVSA-N 365.455 1.677 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(N)=O)CC2)c1 8848965 ZSVOCKRKHLPWDA-GFCCVEGCSA-N 361.398 1.550 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583352 WRZULGFCCUUENH-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(OC2CCCC2)cc1 6241600 JGDTYTOGSCYUOC-WNKDZCFJSA-N 370.405 1.815 0 40 FDAB COc1ccc([C@H]2C[C@H](Cn3cc(C(C)=O)c(=O)[nH]c3=O)ON2C)cc1 12351821 PBYNLWQOCIVKCE-GDBMZVCRSA-N 359.382 1.125 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cnccn1 2398481 JUMFUDVKMLDZKH-UHFFFAOYSA-N 369.410 1.102 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 23249057 ALDVMVSIGICYRR-GOSISDBHSA-N 372.513 1.810 0 40 FDAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(=O)[nH]n1 8294410 FXVMKIUVDCSQAO-UHFFFAOYSA-N 355.181 1.787 0 40 FDAB CN(C(=O)Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8328923 XJTIFJXBFOJMOR-UHFFFAOYSA-N 364.405 1.373 0 40 FDAB COc1ccc(NC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 24691798 ILYVIAPPRJCOKQ-UHFFFAOYSA-N 360.458 1.857 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2C1 106522338 VHSIHOAIHAZKCT-IVGKVIEXSA-N 366.417 1.161 0 40 FDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974620 LRCHODVTSKRQBF-NSHDSACASA-N 360.863 1.885 0 40 FDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)no1 35313704 JYLFHLIXANJRII-UHFFFAOYSA-N 364.427 1.171 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1Br 62120006 RWRIWWCYPLPMJC-MRVPVSSYSA-N 364.217 1.553 0 40 FDAB CN1CCc2nc(NC(=O)Cn3nc(O)c4ccccc4c3=O)sc2C1 12779003 NSRSRQNEUWHNHP-UHFFFAOYSA-N 371.422 1.185 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)c1C 44723010 ZTQNRJYQXHJFOZ-GJZGRUSLSA-N 364.467 1.207 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCN(CC3CC3)CC2)c1 58160287 CRYZGEDTSVTDTP-CQSZACIVSA-N 359.474 1.475 0 40 FDAB COc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102530444 LLPSZIWVGXFRJN-UJARPBSLSA-N 352.390 1.687 0 40 FDAB COc1ccccc1C(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 97569672 VBMCSGMHRUNQHW-CHWSQXEVSA-N 357.362 1.372 0 40 FDAB COC(=O)CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CC(C)C 58203319 HDRBOQHBYYHIOM-UHFFFAOYSA-N 370.471 1.550 0 40 FDAB CCn1cnnc1CNC(=O)NC1CCN(Cc2ccccc2F)CC1 58291432 PGWFXGBWHFPYGT-UHFFFAOYSA-N 360.437 1.901 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 100185061 DJQTYOPQIZTKNN-CYJAXWMASA-N 357.362 1.093 0 40 FDAB O=C(CN1CCN(C(=O)CCc2nc3ccccc3o2)CC1)NC1CC1 28025774 YMXXBROHUGRLCH-UHFFFAOYSA-N 356.426 1.183 0 40 FDAB O=C1NCCCC[C@@H]1Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 10879932 JSEIMGBRXSLGKT-KBPBESRZSA-N 365.503 1.818 0 40 FDAB COCCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957091 NQYJYIIVMGIDMM-SNVBAGLBSA-N 350.387 1.272 0 40 FDAB Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)N2CCCC2=O)C(C)C)cc1 19351363 JBHIVNHYDPUATN-KRWDZBQOSA-N 360.410 1.442 0 40 FDAB S=C(NCCCN1CCOCC1)N1CCCC[C@@H]1CCN1CCCC1 13692836 OJEOLZANROVXLM-GOSISDBHSA-N 368.591 1.924 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCNC(=O)c1ccn[nH]1 96006854 DNOMVCVMCMXNAK-LBPRGKRZSA-N 352.391 1.082 0 40 FDAB Cc1nc(CN(C)S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cs1 96005399 DSAWEAVQJWEYCY-UHFFFAOYSA-N 357.501 1.614 0 40 FDAB COc1ccc(S(=O)(=O)NCCO)cc1NC(=O)c1ccccc1F 408550856 HSKQRTNZTMUXKZ-UHFFFAOYSA-N 368.386 1.357 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)OCc1ccccc1 67140672 SEZZRCIIEWULPP-KRWDZBQOSA-N 367.405 1.352 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 15772540 TUNDBYDXORZZMK-UHFFFAOYSA-N 354.410 1.974 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 7436689 ODWHQQNLTPQATM-OAHLLOKOSA-N 361.442 1.602 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)OC)cc2)c2ccccc2O1 7826526 NDSHNXBNHQLBHS-INIZCTEOSA-N 354.362 1.627 0 40 FDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCc2ccccc2)c2ccccc21 9418791 ZSJQXSWSADFGKJ-QGZVFWFLSA-N 351.406 1.569 0 40 FDAB NC(=O)CC[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)O 9577172 DOWMEZJJWWBJKP-HNNXBMFYSA-N 367.361 1.943 0 40 FDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 9503284 LTRVJKYSFBDFCS-SFHVURJKSA-N 361.398 1.137 0 40 FDAB C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCOCC1)NC(=O)C1CCCC1 72277567 YGWIWDJTMPUJHM-WMZOPIPTSA-N 365.518 1.785 0 40 FDAB Cn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 85876885 DNFHRDMIOCJULL-OAHLLOKOSA-N 363.377 1.653 0 40 FDAB biogenic C[C@H](C(=O)NCc1ccc(CN(C)C)cc1)S(=O)(=O)C1CCOCC1 89478765 PGWAROSCLKMRML-CQSZACIVSA-N 368.499 1.347 0 40 FDAB CS(=O)(=O)NCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl 89486770 BHBNAQAJJFSYSP-UHFFFAOYSA-N 359.757 1.423 0 40 FDAB Cc1cccc(NC(=O)CN(C)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 89686644 LHBGGEWYFKRUOS-OAHLLOKOSA-N 353.488 1.598 0 40 FDAB Cc1ccccc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O 25048674 KNYPLWLJSYSBAC-FMKPAKJESA-N 365.455 1.341 0 40 FDAB O[C@@H](COCCOc1ccc(Br)cc1)CN1CCOCC1 22573289 MGJDMLYEOOKBQF-CQSZACIVSA-N 360.248 1.538 0 40 FDAB COc1cccc([C@@H](NS(=O)(=O)c2sc(C)nc2C)C(=O)O)c1 547882735 YHVJSQQJAIOWCZ-GFCCVEGCSA-N 356.425 1.873 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccnc(N3CCCC3)n2)C1 72348142 HJUIMUALIMZNET-JKSUJKDBSA-N 351.454 1.858 0 40 FDAB CC1(C)OCC2(CO1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2 70972065 MLDKXLZMZRCDIX-UHFFFAOYSA-N 355.412 1.231 0 40 FDAB COc1cnc(C2(O)CCN(C(=O)c3c(C)noc3C)CC2)c(OC)n1 72342905 XBAXPMPUHVHWRO-UHFFFAOYSA-N 362.386 1.222 0 40 FDAB CCCCn1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O 49407932 UPCKCDFFSBQYQT-UHFFFAOYSA-N 352.460 1.717 0 40 FDAB Cc1ccsc1C(=O)N1CC[C@@H]2CN(CCN(C)C)CCO[C@@H]2C1 96249598 FGGLAEXSUXBPQY-HZPDHXFCSA-N 351.516 1.781 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccccn1)CC2)c1cnccn1 96051525 LIQUXZPGAVRTHS-MRXNPFEDSA-N 351.410 1.686 0 40 FDAB O=C(c1cscn1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96218418 BZMLNGFGXUAJQD-SJKOYZFVSA-N 358.423 1.195 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)CN1S(C)(=O)=O 96206554 JOSLJSWJNCLBGF-CQSZACIVSA-N 356.444 1.182 0 40 FDAB Cc1cc(CC[C@H]2CN(S(=O)(=O)c3cccs3)CCO2)ncn1 257301344 RYBNANRJSRYGKH-AWEZNQCLSA-N 353.469 1.869 0 40 FDAB O=C([C@@H]1CCCCN1Cc1nc(CC(F)(F)F)no1)N1CCOCC1 608496151 RDKPPOYGNUXDKF-NSHDSACASA-N 362.352 1.388 0 40 FDAB CN(Cc1nccs1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 546249900 AMBJLQFJZVHWKR-UHFFFAOYSA-N 370.408 1.433 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)NCc3ccc(C(N)=O)o3)c2c1 674436068 YZWHMRYADAKDDU-UHFFFAOYSA-N 356.382 1.910 0 40 FDAB Cn1cc(CN2CC[C@@H](NCc3cccc4[nH]ccc34)C2)c(C(N)=O)n1 1775961546 IDPSYISWYTXZRN-OAHLLOKOSA-N 352.442 1.364 0 40 FDAB CO[C@H]1CN(C(=O)C[C@](C)(C(=O)O)c2ccc(Cl)cc2)C[C@H]1OC 634937044 ZBYDFMOLCSIOBX-VBQJREDUSA-N 355.818 1.945 0 40 FDAB Cc1oc2ccccc2c1CNC(=O)C[C@H]1CS(=O)(=O)CCN1C 644429721 FGLSIDZUZZMWDL-ZDUSSCGKSA-N 350.440 1.476 0 40 FDAB CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2C)c1OC 501311091 XCIAFXQVAIZAKZ-LBPRGKRZSA-N 359.430 1.498 0 40 FDAB CO[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C1CCCC1 656967064 GAVWKZAIQBISOP-HOCLYGCPSA-N 362.536 1.298 0 40 FDAB O=C1CN2CCN(C(=O)NC3CCCC3)C[C@@H]2COc2ccccc2N1 1772594683 KOGVUIMXVXOVNA-OAHLLOKOSA-N 358.442 1.656 0 40 FDAB CCOC(=O)CNC(=O)C1CCN(c2nc3ccccc3n2CC)CC1 12116365 YXRBHCTXXZTHAJ-UHFFFAOYSA-N 358.442 1.952 0 40 FDAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc(N2CCOCC2)c1C 12142975 XZFQONRSCPBPIF-QGZVFWFLSA-N 374.485 1.815 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)Cc3ccccc3F)c2n1 12337181 SIHRTWHAARZGBM-CYBMUJFWSA-N 370.388 1.608 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)c(C)n1 19554881 AWKHWCWDYTYNKP-HNNXBMFYSA-N 367.453 1.925 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2n(C)c1=O 19743103 UUKNKPVNGKRLOK-AWEZNQCLSA-N 365.437 1.407 0 40 FDAB Cc1nn(C)cc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19747827 QCKBEZBAQBFUCP-LBPRGKRZSA-N 366.418 1.517 0 40 FDAB CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2N(C)C)CC1 19756614 AXTKNZDFHJDXGP-UHFFFAOYSA-N 370.501 1.695 0 40 FDAB COc1cc(CC(=O)N2C[C@H]3Cc4cn(C)nc4[C@H]3C2)cc(OC)c1OC 19290808 HJHCOYMUDKERRX-HIFRSBDPSA-N 371.437 1.787 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1(c2ccccc2)CC1 575617712 WBBMXEOJPPODMC-KRWDZBQOSA-N 362.495 1.486 0 40 FDAB CN(C)c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncn1 1888842804 FYGVZRBNLXUFAR-UHFFFAOYSA-N 364.251 1.422 0 40 FDAB CN(C)c1ccc(N2CCN(c3ncc(Br)cn3)CC2)nn1 1888842811 GEEPVPVOPKSFMX-UHFFFAOYSA-N 364.251 1.422 0 40 FDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccn4nccc4n3)C[C@@H]2C1 1888921864 GCCBGHXACUIHPR-GASCZTMLSA-N 369.450 1.486 0 40 FDAB Cn1cc(C(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037838258 AGEOGRZUKDCWGD-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]c3)CC2)[C@]2(CCNC2=O)C1 1565545639 JLKHPNOMESWJPQ-HXUWFJFHSA-N 358.486 1.715 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)NCc1ccc2c(c1)OCO2 2932899 UHJHXRHMMJZOAS-UHFFFAOYSA-N 366.377 1.617 0 40 FDAB Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C)C2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038627 SMYMOWKNCRFTKY-SNVBAGLBSA-N 372.429 1.078 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(CC(=O)N2CCCC2)CC1 2055747746 SGKSHFIFJWNHHY-UHFFFAOYSA-N 374.485 1.310 0 40 FDAB O=C(NCc1ccco1)C1(n2ccnc2)CCN(Cc2cn[nH]c2)CC1 2055713755 HKBCYVUNAPQMHW-UHFFFAOYSA-N 354.414 1.507 0 40 FDAB Cc1nc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cs1 2055730136 CFOSUAKVBLDXOL-LBPRGKRZSA-N 362.455 1.559 0 40 FDAB O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)NCc1ccc(F)cc1 575618643 FAQVAAUTLSKHBY-UHFFFAOYSA-N 369.444 1.543 0 40 FDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(Cc2ccccc2)nn1 2298051560 PRNTZINABJCYKI-UHFFFAOYSA-N 357.439 1.644 0 40 FDAB NC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 40009945 IQMZOOQUWUPYHZ-LBPRGKRZSA-N 358.423 1.158 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100915321 BMGQDIIYCKQCAZ-KOLCDFICSA-N 356.256 1.513 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)CC1 51364404 JMPRRFBIFAELQY-MRXNPFEDSA-N 365.433 1.930 0 40 FDAB Nc1nc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc(Nc2ccc(F)cc2)n1 101474241 OYSAHFIUAUVWOS-STQMWFEESA-N 368.372 1.788 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCn2c(=O)n(C)c3ccccc32)on1 21922323 DKKUVZXKPAUTOM-LBPRGKRZSA-N 372.381 1.597 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 22242939 KJYHOJPSQMKSRY-UHFFFAOYSA-N 366.465 1.584 0 40 FDAB C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(C)CC1 97598529 DTKNAAXJXDBIFU-NSHDSACASA-N 366.314 1.908 0 40 FDAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O 4778037 QOKXXIQSHLLVPF-WJQMWINMSA-N 366.366 1.335 0 40 FDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3cccc(Cl)c3)cc2N1 42301111 JLDBEJFCMREVDA-UHFFFAOYSA-N 366.782 1.790 0 40 FDAB CN(CCOc1ccccc1F)CC(=O)Nc1sccc1C(N)=O 8855912 SSPOHNFMAXZABU-UHFFFAOYSA-N 351.403 1.935 0 40 FDAB COc1ccc(Cl)cc1CN(C)CN1C(=O)C(=O)N(C(C)C)C1=O 23641738 YQUMRHHAONVEBO-UHFFFAOYSA-N 353.806 1.937 0 40 FDAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccn2)CC1 24014248 SFXFIZCSSUBFFD-MRXNPFEDSA-N 367.453 1.618 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)O1 12549303 HJIMWTPTHMWEIK-OKILXGFUSA-N 373.906 1.816 0 40 FDAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1 12599263 BQTBDKYQYSLCSN-UHFFFAOYSA-N 369.377 1.853 0 40 FDAB CS(=O)(=O)CCNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 56880804 UCOLTBYWMPHQKX-UHFFFAOYSA-N 361.467 1.916 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1cccc(N2CCOC2=O)c1 56964037 UGAMJZFNXPPFMO-CYBMUJFWSA-N 366.443 1.049 0 40 FDAB CNC(=O)c1ccc(CNC(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 26301656 DDENGNHOQLRVJG-QGZVFWFLSA-N 362.474 1.202 0 40 FDAB CSCC[C@H](NC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12)C(=O)O 2153171 UNYLGUFZXZLLHU-LBPRGKRZSA-N 365.407 1.672 0 40 FDAB biogenic O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(c2cnccn2)C1 48236938 CKDPTABBKJLYOC-LBPRGKRZSA-N 350.386 1.512 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NC[C@@H]1COc2ccccc2O1 58357514 VXWJJYJEQLZBAF-OAHLLOKOSA-N 356.378 1.869 0 40 FDAB CCN(CC)CC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 306132701 LPNOTOXNNKHRRR-HNNXBMFYSA-N 366.491 1.094 0 40 FDAB COc1ccc(OCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 3322747 FMKLMGYWDZEARF-UHFFFAOYSA-N 370.361 1.603 0 40 FDAB Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)CC2)n1 59588160 OHLUPQWQKGVDTR-NSHDSACASA-N 360.336 1.495 0 40 FDAB COc1ccc(CCNC(=O)CS(=O)(=O)c2cccs2)cc1OC 11666453 TYZIJGAJLIFJQA-UHFFFAOYSA-N 369.464 1.898 0 40 FDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2ccccc2n1 46051446 MYPUZJGWVXRPDO-LPHOPBHVSA-N 355.438 1.702 0 40 FDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 12853673 RBHWNGDMVPHWRZ-CYBMUJFWSA-N 351.403 1.545 0 40 FDAB Cn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1=O 13986959 DCHZOYOKTOTSHG-OAHLLOKOSA-N 355.394 1.919 0 40 FDAB COc1ccc(Cc2c(O)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC 5325206 OOOUCXQYSJCZER-UHFFFAOYSA-N 368.389 1.899 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 6407446 DZGYPHCVQDBCCC-RTIZMKJZSA-N 363.410 1.896 0 40 FDAB Cc1nc2ncnn2c(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 14121458 IMFNGCKXDDWRCC-UHFFFAOYSA-N 374.351 1.317 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1COc2ccccc2O1 14234774 AQHAWKPYNJCJTC-ZDUSSCGKSA-N 365.389 1.812 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 5652745 CWSJXPRXNYFGQF-UHFFFAOYSA-N 358.416 1.877 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1CC=CCC1)n2C 7242086 MXIONBOTXLSCRW-GFCCVEGCSA-N 360.414 1.623 0 40 FDAB CCCCS(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 28557499 HZRPGXJMPWLISR-UHFFFAOYSA-N 366.491 1.232 0 40 FDAB COc1cc(OC)c(OC)cc1CN1CCC(N2CCN(C)CC2)CC1 19889845 RQUDHTDNCWVENE-UHFFFAOYSA-N 363.502 1.924 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(=O)[nH]3)cc2)CC1 95458604 FGZJJCPEVXBIIJ-UHFFFAOYSA-N 354.454 1.835 0 40 FDAB Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 97013515 YYLYZBBDSWEYRD-CHWSQXEVSA-N 350.415 1.585 0 40 FDAB Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 95460984 PFVSIUHVQZEHOC-ZDUSSCGKSA-N 363.443 1.466 0 40 FDAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408630128 OCBNLJLOFUYTJJ-VIFPVBQESA-N 369.270 1.911 0 40 FDAB O[C@@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 4530740 LEJLVYJUXVHIJN-RABCQHRBSA-N 358.390 1.764 0 40 FDAB CS(=O)(=O)c1ccc(CN2CC3(CCOCC3)CC[C@@H]2CO)cc1 528637437 DVRQKFXPTNDEKO-MRXNPFEDSA-N 353.484 1.844 0 40 FDAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O)C(=O)O 71334887 KOQNOOXYEOJXHE-SGTLLEGYSA-N 373.409 1.534 0 40 FDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCc2ccccn2)C1 540925044 QNXWTJFCAYBRNQ-QGZVFWFLSA-N 359.451 1.806 0 40 FDAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 32090659 OWMLZHJZWTVVKI-AWEZNQCLSA-N 351.428 1.231 0 40 FDAB CSCC[C@H]1NC(=S)N(Cc2ccc(Cn3cncn3)cc2)C1=O 32778504 ITXGTWFOCBEHGD-CQSZACIVSA-N 361.496 1.665 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)cc2c1N(C)C(=O)C2(C)C 71195966 RRYUWVSFFXJJNW-LBPRGKRZSA-N 352.456 1.706 0 40 FDAB CCCCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080524 GVILYIIYKQXEDJ-LSDHHAIUSA-N 356.875 1.954 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327403 YSPIXHLEWXPJHW-CABCVRRESA-N 363.421 1.599 0 40 FDAB C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(=O)N(C)C 40121209 NQPCDRJGBJJPNF-RKDXNWHRSA-N 361.211 1.948 0 40 FDAB Cc1nc2c(n1CCO)CC[C@H](NC[C@@H](O)COCc1cccs1)C2 567270601 GJAKBUNWLVIEMC-LSDHHAIUSA-N 365.499 1.270 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2nncn2C)CC1 192664955 ODGLHSQWOLSPHO-UHFFFAOYSA-N 350.444 1.700 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCCNC(=O)c1ccc(C)cc1 41157221 GXBVVCZUELOAEC-HNNXBMFYSA-N 366.483 1.916 0 40 FDAB Cc1cn2nc(N[C@H]3CCN(C(=O)CCc4cccnc4)C3)ccc2n1 570236566 VJUZSLDECXPXFR-INIZCTEOSA-N 350.426 2.078 0 40 FDAB CC(C)c1nc(Cc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)no1 226098575 FIYKBQBVYYFKGB-UHFFFAOYSA-N 366.443 1.614 0 40 FDAB Cc1occc1C(=O)N1CCOC[C@]2(CCN(Cc3nccn3C)C2)C1 96062364 VUJPRWHGYSKTJG-IBGZPJMESA-N 358.442 1.686 0 40 FDAB Cn1cnc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2c1=O 96231203 FZHDURYZAYNIEL-UHFFFAOYSA-N 361.361 1.351 0 40 FDAB CCS(=O)(=O)N1CCO[C@@]2(CCCN(Cc3csc(C)n3)C2)C1 96226703 XNQYBZXWKCMCCY-OAHLLOKOSA-N 359.517 1.468 0 40 FDAB Cc1ncsc1NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 332346100 TXXFOTKRGRVKLU-QMMMGPOBSA-N 357.461 1.107 0 40 FDAB O=C([C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2)N1CCOCC1 96052218 PDRZZNDHSAFJPW-SFHVURJKSA-N 362.445 1.913 0 40 FDAB CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1 96158694 BBPBGRFLHUEJCI-HNNXBMFYSA-N 356.426 1.965 0 40 FDAB COCCNc1ccnc([C@@H]2COCCN2Cc2cccnc2OC)n1 96216465 WQFKZGCBXBGMJN-HNNXBMFYSA-N 359.430 1.512 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@H]2C[C@H](COCc3ccccn3)C[C@@H]21 96250862 AMVFICAEPUYWLE-JLSDUUJJSA-N 354.410 1.708 0 40 FDAB O=C([C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21)N1CCOCC1 247804955 AEDTXBBHKCBBHI-IBGZPJMESA-N 365.437 1.780 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)CCCc3ccncc3)C2)[nH]1 257264301 LTUGSQUYHMNMGT-INIZCTEOSA-N 355.442 1.780 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1ccc2c(c1)CCC2 257205884 BAYUMTZDZCAXEK-FQEVSTJZSA-N 352.438 1.679 0 40 FDAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)CCc1ccn(C)n1 585085894 MNDYEZBNFBZJED-UHFFFAOYSA-N 371.485 1.747 0 40 FDAB CN(C[C@@H]1CCCN(c2ccncc2Br)C1)S(C)(=O)=O 286714189 ZNWZHIPOJNPUBE-NSHDSACASA-N 362.293 1.952 0 40 FDAB COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1nnc2n1CCOCC2 1615553224 REFMKMWRCOGTKB-UHFFFAOYSA-N 374.445 1.213 0 40 FDAB COc1ccc2c(c1)C[C@@H](C(=O)N1CC(OCc3nc(C)no3)C1)CO2 644210931 XBECAGNEDLDGQH-CYBMUJFWSA-N 359.382 1.365 0 40 FDAB COC1CCN(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)O)CC1 656509327 QRRZJKRDMHLLIF-UHFFFAOYSA-N 350.343 1.431 0 40 FDAB Cn1ncc(C(=O)N[C@@H]2Cc3cccnc3NC2=O)c1Cc1ccccc1 1176671259 YDDSVUARNDGMNQ-MRXNPFEDSA-N 361.405 1.699 0 40 FDAB COCc1ncc2c(n1)CCN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1)C2 685941648 FMKLMYNTSIWIBF-HNNXBMFYSA-N 356.430 1.359 0 40 FDAB Cc1ncsc1CN1C[C@@H](O)[C@H](n2ccc3c(C(N)=O)ccnc32)C1 1615160085 XSSYZLXPGWDYTL-ZIAGYGMSSA-N 357.439 1.318 0 40 FDAB CCOc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000079 BTKWDRRGMUHLCO-UHFFFAOYSA-N 353.378 1.738 0 40 FDAB Cc1cc2c(cc3c(=O)n(CC(=O)NCCCN(C)C)nc(C)n32)s1 12115372 NYWRDMXLYBBLEG-UHFFFAOYSA-N 361.471 1.395 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19500787 UGHYKAZVRXKAKA-NRTGNBEESA-N 362.401 1.803 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc(C4CCNCC4)ncc3C2)c(C)c1C 19556524 DLEJMIWJTHVNQS-UHFFFAOYSA-N 368.485 1.650 0 40 FDAB COc1cccc(-n2nnc(C(=O)NCCCn3ccnc3C)c2C)c1 19557752 VJVWGSMCMXFGKX-UHFFFAOYSA-N 354.414 1.909 0 40 FDAB CC[C@H](C)S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1 19701118 UVJNLFBTXGVCPG-LBPRGKRZSA-N 366.487 1.386 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](C(=O)N(C)CCc2ccccn2)C1 19747349 COACQEFLLWSCPQ-MRXNPFEDSA-N 372.425 1.229 0 40 FDAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1ccc(OC)c(C)c1 19929941 ILLUHSUSWMILHV-ZDUSSCGKSA-N 358.460 1.165 0 40 FDAB COCCNc1ccc2c(c1)CN1CCC[C@@H]1C(=O)NCCOCCO2 643572855 JUNIGWACPGTGDT-QGZVFWFLSA-N 363.458 1.235 0 40 FDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1Cl 9537189 HDYPMSMWKXKLBL-NSHDSACASA-N 360.819 1.280 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 6581151 AXCQBCWQRGCFPE-HXUWFJFHSA-N 367.405 1.779 0 40 FDAB COc1ccnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888890829 YLTNBLLIHDFKGA-GFCCVEGCSA-N 367.413 1.706 0 40 FDAB Cc1cc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n2nccc2n1 1888897920 VAJRVSYGZCHQLR-BETUJISGSA-N 369.404 1.553 0 40 FDAB Cc1ccc(CNC(=O)CN2CCO[C@H](C(=O)N3CCCCC3)C2)cc1 1888930511 RSFIBAHDIZVYRF-SFHVURJKSA-N 359.470 1.325 0 40 FDAB Cc1ccc(N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)nn1 1889085201 BESLWBLTMWZVSU-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB O=C(c1csnn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565550798 FZMUJLAVMVZHBT-UHFFFAOYSA-N 373.482 1.688 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2nccs2)C(=O)C1 1565522797 QWDTXUBSFIBCNP-UHFFFAOYSA-N 372.450 1.469 0 40 FDAB CC(C)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 10250636 JDQAMWXTIULELP-UHFFFAOYSA-N 370.475 1.167 0 40 FDAB Cc1cc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)no1 17025655 DXBIZGYMZFJDSV-UHFFFAOYSA-N 353.338 1.431 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccn(C)n2)CC1 2055730156 GJEXDOALNNEIOF-UHFFFAOYSA-N 359.405 1.392 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)[C@@H]5CCCCO5)C[C@H]4C3)ncnc21 2086894021 OKYAEBMBEOJJOT-KFWWJZLASA-N 370.457 1.310 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40116641 JGVRBFZHSKHFKT-OAHLLOKOSA-N 357.332 1.997 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 32295611 WGYDMFDJGSIYNH-AWEZNQCLSA-N 367.453 1.502 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCc1nccn1Cc1ccccc1 32809884 QYDWOKXTKDSOEJ-UHFFFAOYSA-N 368.393 1.292 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc3C2)nc1N 908244 KMJCIXQMXJAYRT-UHFFFAOYSA-N 372.450 1.913 0 40 FDAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1003769 VBZLLVWILIDKLO-UHFFFAOYSA-N 355.485 1.940 0 40 FDAB CCc1nn(CC(=O)NCc2ccccn2)c(=O)c2cc3occc3n12 4918540 MGJKTVJHTBECNI-UHFFFAOYSA-N 351.366 1.516 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccnc1 6957494 KMEFKWDYJRZKLQ-LLVKDONJSA-N 353.831 1.718 0 40 FDAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1028631 NHINZHKQNZFESM-UHFFFAOYSA-N 354.359 1.692 0 40 FDAB C[C@H]1CN(CC(=O)Nc2ccccc2I)CCO1 24014616 WCIFSQMODBDYAL-JTQLQIEISA-N 360.195 1.950 0 40 FDAB CCCc1nnc(S)n1CC(=O)Nc1nc2c(s1)CN(C)CC2 24152630 BEMLLJVJBWKNAH-UHFFFAOYSA-N 352.489 1.602 0 40 FDAB CCOC(=O)C1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 25285503 CKFMCERXPLWCFV-UHFFFAOYSA-N 373.497 1.606 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 3094564 FWYTWHRIBFIISO-HNNXBMFYSA-N 370.471 1.367 0 40 FDAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 107333278 YYLAJRKRCQNAEM-IHRRRGAJSA-N 361.442 1.240 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1ccccn1 12543570 OSISMAOIYVYQCO-LLVKDONJSA-N 363.464 1.799 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCNC(=O)C2)sc2c1CCCCC2 57386050 ILJZIVGOCAOFER-UHFFFAOYSA-N 365.455 1.174 0 40 FDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100506345 BZCKFAMFKFJLMX-SYWGBEHUSA-N 368.389 1.609 0 40 FDAB CCOc1ccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 26957817 DBETVXVRLSINPR-MRXNPFEDSA-N 356.488 1.720 0 40 FDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 58159684 ANHXGFVIDHCMCM-FUHWJXTLSA-N 360.454 1.989 0 40 FDAB COC(=O)c1cc(C)ccc1NC(=O)CN1CCN(c2ncccn2)CC1 58165227 CZBAAWOJMQRBFD-UHFFFAOYSA-N 369.425 1.332 0 40 FDAB O=C(NCC(F)(F)F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 27778493 SZMATQOETIQMSK-UHFFFAOYSA-N 374.388 1.647 0 40 FDAB Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)c(C)o1 58377010 XKYUXJGKPGEPDA-ZDUSSCGKSA-N 357.414 1.471 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c1 10512250 LIEBOTQEKCYNMW-UHFFFAOYSA-N 361.383 1.146 0 40 FDAB Cc1ccnc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 8746624 HTWJFVBKLGBRQX-UHFFFAOYSA-N 358.423 1.923 0 40 FDAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1C 58748968 WNRQDEUALYNHJQ-UHFFFAOYSA-N 371.393 1.930 0 40 FDAB CS(=O)(=O)NCCc1ccc(C2=NN=C(NC3CC3)SC2)cc1 11113782 QMYJOJLJGQNIPQ-UHFFFAOYSA-N 352.485 1.337 0 40 FDAB CCOCCCNC(=O)C1CCN(Cn2c(=O)oc3ccccc32)CC1 48279431 SKEFUZHHLXEEFH-UHFFFAOYSA-N 361.442 1.807 0 40 FDAB Cc1nc2n(n1)-c1nnc(SCC(N)=O)n1-c1sc3c(c1-2)CCCC3 2452475 JJJBREWTVQCAJS-UHFFFAOYSA-N 373.467 1.655 0 40 FDAB COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(C=O)CC3)nc2C1 10338441 OFOPPUOPUFAJMW-AWEZNQCLSA-N 366.421 1.676 0 40 FDAB Cc1cc(OCC(=O)NCCN2CCOCC2)c2c(C)cc(=O)oc2c1 20546984 BQMQQCBKQNDQGN-UHFFFAOYSA-N 360.410 1.237 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1 29769066 KPGLYJMKJQVQRV-HNNXBMFYSA-N 357.801 1.687 0 40 FDAB CC(C)c1nn(C)cc1CNCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 48367161 FKKWKPBHNCIHDC-OKILXGFUSA-N 358.508 1.072 0 40 FDAB Nc1nccnc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 48363644 IBKOLFMFFKEPRL-UHFFFAOYSA-N 364.409 1.067 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCC[C@H](C(=O)O)C3)c(=O)oc2c1 8879760 YNRFUSFNQMBVRY-LBPRGKRZSA-N 359.378 1.981 0 40 FDAB biogenic CC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 5000018 KPQSEICAJJYJLV-UHFFFAOYSA-N 369.396 1.875 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1Cl 4502550 SSXDROZTUVBMLF-JTQLQIEISA-N 372.830 1.925 0 40 FDAB FC(F)(F)c1nnc2ccc(Sc3nnnn3C[C@H]3CCCO3)nn12 14273644 HCKWEWQMKLXVTC-SSDOTTSWSA-N 372.336 1.460 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cc(F)ccc1F 6649440 WQMSDSOBSVYJRO-UHFFFAOYSA-N 359.288 1.997 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCc3ccccc31)CS2 5877382 LIYASVZTONEPMI-KBXCAEBGSA-N 360.435 1.573 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 9304853 UYBDWKKGNXHDBF-CQSZACIVSA-N 357.410 1.588 0 40 FDAB Cc1ccc(CNS(=O)(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 9533491 OMUPDPBTCZXOTJ-UHFFFAOYSA-N 365.455 1.279 0 40 FDAB COc1ccc(CN(C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 9578475 SSALWFIUWUFMMK-UHFFFAOYSA-N 370.409 1.944 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc2[nH]ccc12 72404511 DOYLGDMNOZJLQO-UHFFFAOYSA-N 355.375 1.951 0 40 FDAB COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 95461147 AHZHIHLNSKHXQL-SNVBAGLBSA-N 371.397 1.355 0 40 FDAB O=C(O)CNC(=O)Cc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 95463916 VTVGLBAWIAIIQG-UHFFFAOYSA-N 352.350 1.559 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)c3ccc(SC(F)(F)F)cc3)C2)nn1 95997895 RZADJXRQWVOYHC-UHFFFAOYSA-N 371.344 1.686 0 40 FDAB O=C(NCCc1ccc(O)nc1)[C@H](c1cccc(F)c1)N1CCOCC1 552035354 UVABLWOGWOASBG-SFHVURJKSA-N 359.401 1.659 0 40 FDAB Cc1ccc(-c2nnc(CCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)o2)cc1 39995464 TVXMOCKWWUZBPV-KRWDZBQOSA-N 363.439 1.671 0 40 FDAB Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC3(CCOC3)C2)CCC(=O)N1C1CC1 519695452 TUQSGROOGNRPGB-YOEHRIQHSA-N 358.442 1.111 0 40 FDAB O=C(c1cccc(Cl)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 121764077 XNPVLVLUOGJSST-UHFFFAOYSA-N 368.846 1.600 0 40 FDAB CCc1ccccc1CC(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527578990 ARUWFKRGYZGYIK-MSOLQXFVSA-N 354.454 1.561 0 40 FDAB O[C@H]1CO[C@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O 17993285 NVEGGHPETXMRSV-XGXHKTLJSA-N 358.390 1.937 0 40 FDAB biogenic COC(=O)CSc1nnc(NS(=O)(=O)c2cccs2)s1 224230362 WMZLLVHNHGDCJZ-UHFFFAOYSA-N 351.456 1.666 0 40 FDAB Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc21 225065022 IPCABNSMILGMHI-SNVBAGLBSA-N 369.468 1.210 0 40 FDAB Cc1c(Cl)cccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222666724 VXDVHRHOUIOXOG-UHFFFAOYSA-N 363.801 1.782 0 40 FDAB CCC(=O)C1(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 571986645 DMGKDRGFJGLIFK-KRWDZBQOSA-N 369.465 1.695 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1cccc(OC)c1 41154583 WIDQGMPKFHEWDO-CQSZACIVSA-N 368.455 1.226 0 40 FDAB CO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)C1CC1 225643272 QTAVCHLKLCTVFZ-IBGZPJMESA-N 362.426 1.678 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)CC1 96071961 BGOOCQARDGKFAX-XLIONFOSSA-N 357.454 1.992 0 40 FDAB C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1cc2cccc(F)c2o1 332323744 OURYLHAJFWLCQO-JTQLQIEISA-N 369.418 1.665 0 40 FDAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCCCC1 97664373 MWXUXIYALDWRST-SFQUDFHCSA-N 369.425 1.972 0 40 FDAB CCS(=O)(=O)NCCN1CCC[C@@H]1[C@](C)(O)c1ccc(OC)cc1 583615569 LGKVQMVNDHQODL-IAGOWNOFSA-N 356.488 1.306 0 40 FDAB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccccn2c1=O 96115375 FUGIQKGIOLDHOG-CYBMUJFWSA-N 368.345 1.793 0 40 FDAB biogenic Cc1cc(C(=O)N2Cc3cncn3C[C@H](COc3ccccn3)C2)on1 96208934 YDDNQRLBGGMITN-CQSZACIVSA-N 353.382 1.926 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 230318285 OHKDKVDIUCGOLO-CFGMGRTJSA-N 357.362 1.059 0 40 FDAB N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257340395 ZFWAPJXMYMZNRD-CGXNFDGLSA-N 371.456 1.856 0 40 FDAB O=C1C[C@@H](C(=O)N2CCc3nc[nH]c3C2)CN1Cc1ccc2c(c1)OCO2 1775965370 WKJYATNXQBIRHR-CYBMUJFWSA-N 368.393 1.072 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)CC1CC1 585096481 PKKYGOYIBXZEBU-ZDUSSCGKSA-N 353.426 1.911 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3CCS(=O)(=O)C3)c2O1 44457083 CKMMGDARNVHJRS-LBPRGKRZSA-N 353.440 1.330 0 40 FDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1 72309128 KRIMBMBZBARCGF-IAOVAPTHSA-N 367.490 1.395 0 40 FDAB CN(C)CCCNC(=O)NCCCCCCNC(=O)NCCCN(C)C 5197905 MBHYWHTXOFGZHE-UHFFFAOYSA-N 372.558 1.049 0 40 FDAB COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 5433741 UOSMXWVKYVDQJW-BURFUSLBSA-N 371.393 1.280 0 40 FDAB biogenic,in-vitro CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 17073024 UHCVYUMZZUAAFU-USZNOCQGSA-N 352.412 1.616 0 40 FDAB Cc1cc2nc(CNC(=O)[C@H]3CC(=O)Nc4ccccc43)cc(O)n2n1 19130081 QMHBUJLQYVEZNL-ZDUSSCGKSA-N 351.366 1.486 0 40 FDAB Cc1ccc(-n2ncc3c2N(CC(=O)N(C)C)C(=O)N2CCN=C32)cc1 19213384 RUMZENRKKFMLPE-UHFFFAOYSA-N 352.398 1.271 0 40 FDAB Cc1cccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 19296452 RZYLNVQFGLPYDQ-UHFFFAOYSA-N 362.451 1.811 0 40 FDAB CN(C(=O)CN1CCc2nnc(C3CCNCC3)n2CC1)C1CCCCC1 19708901 DJSLBLWLEXDBNX-UHFFFAOYSA-N 374.533 1.394 0 40 FDAB NC(=O)C1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)CC1 19937669 JWMOPWZTXJEPHT-UHFFFAOYSA-N 374.828 1.357 0 40 FDAB CN(C(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 152049122 NJPYANQPBTZGRW-GFCCVEGCSA-N 352.391 1.662 0 40 FDAB O=C(NCc1cccs1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603371 FLFJRNBGQQIWFK-UHFFFAOYSA-N 373.482 1.949 0 40 FDAB O=C(COCc1nc2ccccc2s1)N1CCN(c2cnccn2)CC1 11545082 SPWPESZRRRZWBP-UHFFFAOYSA-N 369.450 1.952 0 40 FDAB O=S(=O)(NCC1(OCCO)CCSCC1)c1ccccc1Cl 828765367 KQFUMBIRXUNYDP-UHFFFAOYSA-N 365.904 1.893 0 40 FDAB O=C([C@H]1CCc2ccccc2O1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888856834 KHYUUKAMKOHESR-SOLBZPMBSA-N 350.422 1.765 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@]2(OCCO)CCSC2)cc1Cl 1565519222 AJWZDPWNLVMBHO-AWEZNQCLSA-N 365.904 1.811 0 40 FDAB CCCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 4314420 SZRZZQWVBASOJG-GFCCVEGCSA-N 359.430 1.716 0 40 FDAB Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n(N)c1=O 4854878 OCPKCKUPVDVICU-UHFFFAOYSA-N 360.226 1.698 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NC4CCCC4)cn(C)c3c2=O)cc1 9820621 HJUSEFLRVPDOEY-UHFFFAOYSA-N 366.421 1.998 0 40 FDAB Cc1cnn(CCN2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 2086889335 KRECZPQKHBGGKJ-UHFFFAOYSA-N 366.473 1.606 0 40 FDAB Cc1cccc(C)c1OCCN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 40010025 LMUVVPZTWOJXJZ-ZDUSSCGKSA-N 354.428 1.037 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 102080997 MNPJDCSCEUDQKA-LUVWLHFXSA-N 369.373 1.228 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1Cc2ccccc2O1 32883026 LSSLGKXKERFFLT-HNNXBMFYSA-N 357.410 1.361 0 40 FDAB CCCCn1nc(C(=O)OCc2nc(N)c3ccccc3n2)ccc1=O 21838426 XGXINMKMOHXWFR-UHFFFAOYSA-N 353.382 1.926 0 40 FDAB CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21 708807 KDVFJTOXTHXFIY-UHFFFAOYSA-N 369.385 1.360 0 40 FDAB Cc1nc(NC(=O)c2nn(C)cc2Br)sc1C(=O)N(C)C 2780383 IVGQVGIJHIHDFH-UHFFFAOYSA-N 372.248 1.902 0 40 FDAB Nc1nsc(N2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)n1 79060062 BNCXOKFCLDWIII-UHFFFAOYSA-N 369.454 1.197 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 22384519 JEDULZKZSMCRCY-UHFFFAOYSA-N 360.391 1.982 0 40 FDAB Cc1cccc(C)c1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 6433442 XTLHJOSJKFQFHK-UHFFFAOYSA-N 362.451 1.689 0 40 FDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(C(N)=O)cc1 6961545 AHCZWKRYUIKJSO-ZSOIEALJSA-N 351.366 1.295 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3cccs3)cc2N1 7563884 LAHKTBLJHVTREL-UHFFFAOYSA-N 374.374 1.235 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1 52937735 XAYALFUITWHHII-UHFFFAOYSA-N 350.378 1.785 0 40 FDAB CS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCCCC3)ccc21 10119374 ZFWXEADEIJGPEW-UHFFFAOYSA-N 358.485 1.573 0 40 FDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 8943982 SCPOSFKVJDRSLZ-UHFFFAOYSA-N 368.374 1.942 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 102303536 TXOXZPIGFGMWIT-VGWMRTNUSA-N 364.829 1.867 0 40 FDAB CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3189726 MQZIHJVWRAGGLW-LBPRGKRZSA-N 368.484 1.713 0 40 FDAB COc1ccc(CN(C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1F 24958726 VAKGLWXXMPFZAN-CQSZACIVSA-N 372.396 1.923 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1 9926910 QAAIDWGJUYCOLY-RYUDHWBXSA-N 356.831 1.832 0 40 FDAB CCOc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1 56793041 MOAALBYMVCDDJG-UHFFFAOYSA-N 355.442 1.557 0 40 FDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccnc1N1CCOCC1 173436415 RYYAVVUWZATVMF-CYBMUJFWSA-N 357.458 1.630 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 3234181 WGHFYRPUFSDRFW-UHFFFAOYSA-N 370.361 1.005 0 40 FDAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 12634881 YMTWYEFGEIUFTK-KOLCDFICSA-N 366.361 1.689 0 40 FDAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)c2)cs1 29193663 PVUGFBYMNBUZIR-LBPRGKRZSA-N 368.484 1.600 0 40 FDAB C[C@H]1CCN(C(=O)COC(=O)[C@@H]2COCCO2)c2ccccc2S1 46307261 NMXKYKUVJWAGCH-JSGCOSHPSA-N 351.424 1.863 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1F 3484772 IFDUZXOHZJNVJV-STQMWFEESA-N 350.390 1.888 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)NCC(F)(F)F)CC2)c1 12922498 KEZJJBHOSOUSBD-UHFFFAOYSA-N 359.348 1.132 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2sccc2C)cc1 12977333 YPNJQQCJJPCQKY-UHFFFAOYSA-N 354.453 1.773 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(=O)CNC(C)=O)c2ccc(C)cc2)cc1 3615097 LBXLJNVLJXWKRS-IBGZPJMESA-N 369.421 1.936 0 40 FDAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NN1CCOCC1 5065961 NUGKTZYCTNQSML-UHFFFAOYSA-N 364.405 1.427 0 40 FDAB O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 4320760 KJZHOXUBMPIDCQ-UHFFFAOYSA-N 363.826 1.809 0 40 FDAB Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1 13942017 AEDYTCVDDRXSAD-UHFFFAOYSA-N 367.409 1.750 0 40 FDAB COc1ccc(C(=O)N2CC(=O)c3ccccc3S2(=O)=O)cc1OC 5274925 HAAKQTHCXRBNNX-UHFFFAOYSA-N 361.375 1.731 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 14138735 IYZBFHSIHYUCMA-SFHVURJKSA-N 350.334 1.940 0 40 FDAB CCC(C)(C)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 14111880 WIHBGDAOUVSIQQ-UHFFFAOYSA-N 357.476 1.662 0 40 FDAB C[C@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc(-n2cncn2)cc1 14141938 ILKLUIBYGKDPIS-LBPRGKRZSA-N 360.381 1.938 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 6528953 BNJDKEUCBDCJLM-UHFFFAOYSA-N 370.333 1.408 0 40 FDAB C[C@H](OC(=O)c1cccn1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 6981100 BTTBCVZKWQUJKH-NSHDSACASA-N 350.396 1.825 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccncc1 9314285 GUFVAXNTTWFJFH-IBGZPJMESA-N 350.378 1.804 0 40 FDAB CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1cccc(F)c1 8119565 ROMHFYGPKQCNGI-UHFFFAOYSA-N 355.369 1.992 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(NC(C)=O)c1 8327529 UBDAGFVOYAAIAZ-UHFFFAOYSA-N 363.395 1.553 0 40 FDAB Cn1c(=O)n(C)c2cc(/C=c3\sc4nc5ccccc5n4c3=O)ccc21 408859888 UYCWBNPSEZPQRP-YBEGLDIGSA-N 362.414 1.647 0 40 FDAB Cn1cnc2ccc(NC(=O)C3(n4cnnn4)CCCCC3)cc2c1=O 95477130 QOCKVRQRLILUFM-UHFFFAOYSA-N 353.386 1.218 0 40 FDAB O=C(O)CN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O 408592400 KFVFMNPQCOEGHM-QPIMQUGISA-N 369.127 1.155 0 40 FDAB O=C(COc1cccc(Br)c1)N1CCOC[C@@H]1c1ncon1 95981448 HEOXREHPPQUWFI-GFCCVEGCSA-N 368.187 1.811 0 40 FDAB CCN1CCN(C(=O)[C@H](C)N(C)C2CCN(Cc3ccncc3)CC2)CC1 89977275 RHQMDXKFZVKRKJ-SFHVURJKSA-N 373.545 1.530 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306139906 UDQLMEUYINPIOV-VNQPRFMTSA-N 364.467 1.270 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 548024454 DSQRLGMZHPUXMQ-DZGCQCFKSA-N 371.441 1.265 0 40 FDAB Cc1c(CC(=O)N2CCC[C@@H](c3nnc(O)o3)C2)nnn1-c1ccccc1 507884660 ASPPCAREXWBQTI-CYBMUJFWSA-N 368.397 1.613 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCN(Cc4ccccn4)CC3)ccc21 518630451 YWACKJWETOXTBC-UHFFFAOYSA-N 351.410 1.632 0 40 FDAB COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2c1 524731618 DXUAUCJAKFTUDG-ZDUSSCGKSA-N 366.373 1.985 0 40 FDAB biogenic O=S(=O)(NCc1ccccc1-n1cccn1)c1cnn(C(F)F)c1 36614937 QYEBXILDKMFULW-UHFFFAOYSA-N 353.354 1.942 0 40 FDAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)N1CCCCC1 72342131 XJSVKXHLXXYQPP-UHFFFAOYSA-N 366.425 1.017 0 40 FDAB CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1I 72343544 IKHNJKCSCVJLGL-JTQLQIEISA-N 360.199 1.831 0 40 FDAB COC1(C(F)(F)F)CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 561117724 XHMNNDNSTARVBR-RYUDHWBXSA-N 363.380 1.893 0 40 FDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2ccc(O)nc2)CC1 562368828 WPSCLUDHXRXMOG-HNNXBMFYSA-N 374.485 1.311 0 40 FDAB C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2ccc(O)nc2)CC1 562368829 WPSCLUDHXRXMOG-OAHLLOKOSA-N 374.485 1.311 0 40 FDAB COC(=O)c1cn(Cc2cccc(F)c2)nc1S(=O)(=O)N1CCCC1 49402066 XSNAPBOUVACVGM-UHFFFAOYSA-N 367.402 1.642 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccccc1 223935679 LAXPYYFYMACFEJ-UHFFFAOYSA-N 351.472 1.916 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 44357113 QIBXENHIXYJBHE-GFCCVEGCSA-N 352.441 1.568 0 40 FDAB O=C1c2ccccc2C(=O)N1CCC(=O)N1CCNC[C@H]1c1ccncc1 571753937 WXEYTWKRGMUBEV-KRWDZBQOSA-N 364.405 1.241 0 40 FDAB CCOc1ccc(Cl)cc1S(=O)(=O)NCCSc1ncn[nH]1 223003668 NHEGBDXFICJYGC-UHFFFAOYSA-N 362.864 1.927 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2nc3ccccc3s2)C1 225677651 QEEJMSZSRFCPGV-UHFFFAOYSA-N 362.436 1.328 0 40 FDAB O=C(COCc1nc(-c2cccnc2)no1)N[C@H](CO)Cc1ccccc1 96182075 DOGWUYMPEUVZHT-INIZCTEOSA-N 368.393 1.368 0 40 FDAB CCS(=O)(=O)N1CCO[C@]2(CCCN(Cc3csc(C)n3)C2)C1 96226702 XNQYBZXWKCMCCY-HNNXBMFYSA-N 359.517 1.468 0 40 FDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCCN1CCCC1 96220545 AYLOOUVNFTXOLW-XUVXKRRUSA-N 357.498 1.878 0 40 FDAB O=C1COC2(CCN(CCN3CCCC3)CC2)CN1Cc1ccccn1 96159110 KNHFJGRZYAJNJC-UHFFFAOYSA-N 358.486 1.371 0 40 FDAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cccnc1OCCO 1595892269 GLCKCDLLLBZOSL-UHFFFAOYSA-N 355.394 1.510 0 40 FDAB CC(C)Cc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1 95472147 FOWMGTLEINGZOX-LLVKDONJSA-N 367.413 1.871 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(COCc3cnc(N(C)C)nc32)C1 96244057 AJGCXXULJPEAFH-INIZCTEOSA-N 354.476 1.146 0 40 FDAB O=C(CN1[C@H]2CC[C@H]1c1snnc1C2)N1CCN(c2ccccn2)CC1 247803338 XAOFLIPGBSVUJV-ZFWWWQNUSA-N 370.482 1.344 0 40 FDAB COc1c[nH]c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1=O 524734466 HPULRWCUMXZQGV-LBPRGKRZSA-N 353.382 1.446 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2cccc3c2OCCO3)[C@H]1O 257322688 WGZCNCNQLSBIJH-BFYDXBDKSA-N 357.410 1.799 0 40 FDAB Cc1cc(-c2cc([C@@H]3CCCCN3S(=O)(=O)N(C)C)nc(C)n2)[nH]n1 257283191 OXDJAJGQDIIYIV-INIZCTEOSA-N 364.475 1.817 0 40 FDAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CCCCN 257244891 INFVITIPMCUBFX-UHFFFAOYSA-N 371.485 1.549 0 40 FDAB O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc2c(c1)CCCC2 257211050 BXIGEMAUOSYRGX-HXUWFJFHSA-N 352.438 1.727 0 40 FDAB COc1ccc(Cn2cc(NC(=O)[C@@H]3CCc4nnnn4CC3)cn2)cc1 652032753 WUKKCJQCAUQYDE-CQSZACIVSA-N 367.413 1.518 0 40 FDAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2ccc3c(n2)OCCO3)c1 656250529 GZGCYLQFBAHKTK-LJQANCHMSA-N 372.377 1.981 0 40 FDAB COc1ccccc1N1CC[C@H](N2CCN(c3ncns3)CC2)C1=O 660703128 OZDIPCDJGBXZHR-AWEZNQCLSA-N 359.455 1.474 0 40 FDAB CC[C@H](C)[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)n1cnnn1 1615152037 NTYQHKOLNWODPI-YVEFUNNKSA-N 359.430 1.862 0 40 FDAB CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c(O)nc1=O 1636515147 YGLIMMUWZJWRFC-OAHLLOKOSA-N 355.394 1.906 0 40 FDAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1 585111040 BCMZHDXCFIYVRK-MRXNPFEDSA-N 368.437 1.930 0 40 FDAB CN1CCC(O)(CN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585289971 YKFYADVPUUGILL-RCCFBDPRSA-N 352.450 1.533 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108632 PAFBFAFTAVQZIR-VMAZRHSESA-N 361.417 1.452 0 40 FDAB CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)CC2 585120424 MPLOXUQTOYMGOK-UMVBOHGHSA-N 373.461 1.279 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1CCc1ccccc1 585168401 RTJBALDLNKFCSB-IBGZPJMESA-N 369.440 1.941 0 40 FDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]2C1 585107948 JVDGVYPJTLRAPG-DLBZAZTESA-N 369.396 1.834 0 40 FDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)no1 46155087 YRAXZPZQRPEBAP-IUODEOHRSA-N 364.423 1.926 0 40 FDAB Cn1nc(C2CCN(C(=O)Cn3cccc3)CC2)n(C2CCCC2)c1=O 77146962 KIOJQFNVAXTIIN-UHFFFAOYSA-N 357.458 1.905 0 40 FDAB CN1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595909 SALGQUCPJQWYRC-HBFSDRIKSA-N 355.482 1.852 0 40 FDAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 12711997 SVJBIEWKYNEKGR-UHFFFAOYSA-N 373.398 1.648 0 40 FDAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccccc3OC)c(C)nn12 13639277 OMPWRCQYXWQQHB-UHFFFAOYSA-N 370.365 1.610 0 40 FDAB CN[C@H](ON1C(=O)[C@@H](O)Oc2cc(OC)ccc21)C(Cl)(Cl)Cl 16189373 IXBJXWSSEQIOEE-WDEREUQCSA-N 371.604 1.586 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1ccc3c(c1)C[C@@H](C)O3)CC2 19286400 GXBDPAOWVDRECN-GFCCVEGCSA-N 353.422 1.572 0 40 FDAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)NC1CC1 19374498 PXVOOWDXIHKJQS-UHFFFAOYSA-N 350.382 1.153 0 40 FDAB O=C(CN1CCc2nnc([C@H]3CCCN3)n2CC1)Nc1ccc(F)cc1 19706525 YAWINSCEQVWGRS-OAHLLOKOSA-N 358.421 1.339 0 40 FDAB COCC1(C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)CC1 679312796 ZACLUYHVCFLZTJ-UHFFFAOYSA-N 360.454 1.780 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037850047 KZWMXVDCZVJLJX-IBGZPJMESA-N 355.394 1.940 0 40 FDAB O=C(c1cc(F)ncc1F)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565553798 JTBPBJWLBIRQDG-CVEARBPZSA-N 360.364 1.480 0 40 FDAB CCC(CC)NC(=O)c1[nH]nc2c1COC[C@@]21CCN(C(=O)CCF)C1 1565556757 TYAQKTQATFVYSJ-SFHVURJKSA-N 366.437 1.688 0 40 FDAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)N1CCOCC1 4164508 IOROFRPKDJTCEH-UHFFFAOYSA-N 373.413 1.881 0 40 FDAB Cc1cccc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)c1 4942168 NJBIZMJRVZBWJJ-UHFFFAOYSA-N 370.434 1.671 0 40 FDAB O=C(Nc1cccnc1)[C@@]1(F)CCN(C2=NS(=O)(=O)c3ccccc32)C1 2086865093 JFHMQDNLIQUILI-QGZVFWFLSA-N 374.397 1.583 0 40 FDAB COc1ccc(S(=O)(=O)NC2CCN(c3cnsn3)CC2)cc1F 575616474 OLQQNCVZKHKWGR-UHFFFAOYSA-N 372.447 1.633 0 40 FDAB COc1nc(CNC(=O)/C=C/c2ccccc2)nc(N2CCOCC2)n1 575608218 SADOHYMIRJEPNE-BQYQJAHWSA-N 355.398 1.046 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](Cn1nccn1)c1ccccc1 585366431 WUGFJLJLOBLSQF-HNNXBMFYSA-N 360.443 1.348 0 40 FDAB O=C(c1cnn2c1OCCC2)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255489 QZRPKJQNKLAGRM-ZDUSSCGKSA-N 365.393 1.902 0 40 FDAB O=C([C@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(F)(F)CC1 2298048290 GHJZXROCJRSKJC-NSHDSACASA-N 350.373 1.827 0 40 FDAB Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)cc2)n1 19717861 IJAJEKDXMZOSOL-SFHVURJKSA-N 371.485 1.850 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 75155464 BWMSJGDQZQKGLZ-HNNXBMFYSA-N 354.384 1.206 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCC3)C2)n(-c2cccnc2)n1 2332241507 BIFQLMMHXKXECW-IAOVAPTHSA-N 357.458 1.948 0 40 FDAB O=C(O)[C@H]1[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]2CC[C@H]1O2 245227957 TXOXZPIGFGMWIT-KLHDSHLOSA-N 364.829 1.867 0 40 FDAB CCCn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)ccc1=O 40146907 YGBWDBQNUXJMFG-UHFFFAOYSA-N 365.411 1.167 0 40 FDAB O=C1C[C@H](C(=O)NC2CCN(c3ncccn3)CC2)c2ccccc2N1 40134382 NJVBGOFWKZUQMM-HNNXBMFYSA-N 351.410 1.688 0 40 FDAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2ncccn2)CC1 40152330 BLOSWHJJQFUEHV-UHFFFAOYSA-N 354.414 1.003 0 40 FDAB CCc1ccc(N2C(=O)CN(Cc3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773659 NWPRKBWOKZEYOE-ZWKOTPCHSA-N 374.462 1.856 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)s1 31998404 YDCFWRBBNRHNDQ-UHFFFAOYSA-N 351.453 1.598 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O 32672146 GNBNYQFVWRGMCD-GFCCVEGCSA-N 363.377 1.555 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 32754721 LCLBNHRVFWYDCU-UHFFFAOYSA-N 373.434 1.739 0 40 FDAB COCCN(CC(=O)Nc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 32836215 FKDCHMTYLKVXBN-AWEZNQCLSA-N 360.863 1.414 0 40 FDAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(NC(C)=O)cc3)n2)c1 1222294 FZSFPCVXFGVHKD-UHFFFAOYSA-N 366.381 1.946 0 40 FDAB O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1350842 VFJKJBFTHSFHQB-UHFFFAOYSA-N 372.512 1.940 0 40 FDAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1=O 103532607 HFNKGRNPSHGJEK-HOCLYGCPSA-N 368.320 1.905 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)Nc2ccccc2)c(=O)c1=O 22726039 ULGXYVVMRKWDAL-UHFFFAOYSA-N 351.362 1.647 0 40 FDAB CC[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCCOC 4967085 HBSCUIMLMBPELV-TZMCWYRMSA-N 366.439 1.574 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 851762 RAULKIZHDNPPRK-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB biogenic COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 8549801 GWCGSGCDSPMPTQ-CQSZACIVSA-N 354.472 1.929 0 40 FDAB Cc1nn(CC(=O)Nc2cccnc2-n2cccn2)c(=O)c2ccccc12 25011737 NHMSTVWHIHWVDK-UHFFFAOYSA-N 360.377 1.924 0 40 FDAB O=C(c1ccco1)N1CCN(C[C@@H](O)COCc2cccs2)CC1 25336218 KBJIPXHGTSPNPX-CQSZACIVSA-N 350.440 1.677 0 40 FDAB Cc1c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)[nH]c2c1C(=O)CCC2 25990918 UANBRODUCOOWJD-UHFFFAOYSA-N 358.398 1.742 0 40 FDAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 12545527 AYTGFFJNNJLVCD-SNVBAGLBSA-N 350.400 1.177 0 40 FDAB C[S@](=O)c1ccc(C(=O)NCCc2nnc(S)n2C2CC2)cc1 109058850 TZQANOSFENYAGQ-HSZRJFAPSA-N 350.469 1.612 0 40 FDAB Cc1ccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)cc1 102353519 PNCDCWBGQYHWQO-XSLAGTTESA-N 356.422 1.293 0 40 FDAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 58191282 OMXNQJGSKNEFAQ-QGZVFWFLSA-N 361.398 1.971 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228289 WRURTRJEMGQBQX-OAHLLOKOSA-N 373.409 1.775 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)Nc3ccnn3C[C@H]3CCOC3)cnc12 58281709 PVGDVLGFYVVOTM-CQSZACIVSA-N 367.409 1.577 0 40 FDAB CC1CCN(C(=O)C2CCN(C(=O)CCNc3ncccn3)CC2)CC1 58203486 AHFBTUZVDMJZCY-UHFFFAOYSA-N 359.474 1.776 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 28254259 UMKCCSGTTOYRBM-UHFFFAOYSA-N 364.383 1.144 0 40 FDAB Cc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1 20236699 LVUXRSKAIJSBLO-UHFFFAOYSA-N 361.423 1.499 0 40 FDAB C[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCC1 48355670 KHSGUASVIFANCW-NVXWUHKLSA-N 365.499 1.440 0 40 FDAB O=C(NCc1cccnc1OC1CCCC1)NCc1nnc2n1CCC2 48372504 OXGBTRHLKMCHDJ-UHFFFAOYSA-N 356.430 1.940 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O 12985918 IWOLPVSOTGDHEO-UONOGXRCSA-N 360.410 1.602 0 40 FDAB O=C(c1ccc(Cl)cc1F)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 38437553 RPUKNBYJWQCGTE-LBPRGKRZSA-N 360.838 1.424 0 40 FDAB Cn1cc(-c2cccc(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)n2)cn1 72310315 ANKOVIARQOIYHS-JTQLQIEISA-N 367.331 1.831 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306140829 VEVXHQJXAHTSBO-CHWSQXEVSA-N 357.483 1.926 0 40 FDAB COc1ccccc1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 14731125 MOCACGXNIZNWRD-UHFFFAOYSA-N 366.425 1.263 0 40 FDAB COC(=O)[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 60318120 SRJAJDPGXVJFIH-SFHVURJKSA-N 365.389 1.817 0 40 FDAB CCOc1c(OC)cccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCOC 4986979 XZNVWHGYDUTWBB-HNNXBMFYSA-N 364.398 1.911 0 40 FDAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)NC(C)(C)C 7684797 OQGOXHIDBMBZCO-UHFFFAOYSA-N 351.447 1.879 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 7979585 VOWLBHJHNFHZCK-OAHLLOKOSA-N 360.435 1.955 0 40 FDAB O=S1(=O)[C@H]2[C@@H](CN1CC1CC1)[C@H]1CN(Cc3ccc(F)cc3)C[C@H]2O1 306135865 PDHJYDSMGXNBCB-MLHJIOFPSA-N 366.458 1.449 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8129201 BXZLPUITBBLKTM-CMDGGOBGSA-N 360.435 1.967 0 40 FDAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1c(C)n[nH]c1C)CC2 16700959 OZLDOUHZIASSLK-UHFFFAOYSA-N 351.428 1.791 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1ncc(Cl)c(Cl)c1=O 8373231 OHOCOLODANDQTO-UHFFFAOYSA-N 372.208 1.754 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N=c1[nH]c2ccccc2[nH]1 17304464 DKCPNRVFJXIVBA-JTQLQIEISA-N 362.386 1.429 0 40 FDAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N(C)C)cn12 306126914 FIULQGLTEAXWMS-KRWDZBQOSA-N 370.501 1.908 0 40 FDAB O=C1CCCN1Cc1ccccc1CNc1nccc(N2CC[C@H](O)C2)n1 65387261 VPAWHIKDRUDKAL-KRWDZBQOSA-N 367.453 1.782 0 40 FDAB CN1CCN(CCNC(=O)c2ccccc2I)CC1 22830034 TUCUEJDVAMYSGN-UHFFFAOYSA-N 373.238 1.268 0 40 FDAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CC(N)=O)C(=O)O 408974881 HWQCWNMPKZBGHN-SNVBAGLBSA-N 351.746 1.362 0 40 FDAB O=C(O)[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cccs1 547546275 DPZAOTPOEXIGMU-SKDRFNHKSA-N 357.413 1.010 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(CCc3ccccc3)n2)c[nH]1 524735574 LDBKAGVVXKCXJK-UHFFFAOYSA-N 353.382 1.604 0 40 FDAB c1cc(CO[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)ccn1 306132301 LEKVQWCDMHJOBW-OAHLLOKOSA-N 352.398 1.474 0 40 FDAB O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@@H]1CCCN1 35191220 VAYWSLSKPMDOAK-HNNXBMFYSA-N 350.850 1.811 0 40 FDAB COc1ccc(Cn2c(=O)c3c(nc4n3[C@@H](C)C(C)=NN4)n(C)c2=O)cc1 72236028 AZOBQIHROJIQFY-NSHDSACASA-N 368.397 1.316 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@@]2(Br)C=C[C@H]12 45070671 YRQQPLLKJDBYHM-OQMKEHIESA-N 358.195 1.786 0 40 FDAB O=C(O)CCCCCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 49545387 WQDCDYDXRJJLEU-UHFFFAOYSA-N 361.373 1.811 0 40 FDAB CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 224311860 QTNJTIKDJJORMV-UHFFFAOYSA-N 370.413 1.625 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 45865990 NGTDHVQLSZFJMP-UHFFFAOYSA-N 369.420 1.662 0 40 FDAB O=C1CC[C@]2(C(=O)O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 95469528 GTGCWYHVZRQZMY-FQEVSTJZSA-N 374.356 1.850 0 40 FDAB Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)n1 96237714 MZJZDRDBIPJYGW-OAQYLSRUSA-N 364.449 1.953 0 40 FDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]2CCCO[C@@H]21 96057119 DBYOYLMWDCGVGE-UAGQMJEPSA-N 356.463 1.744 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(C(=O)O)cc1 95482147 XFYREYVIFUCHCC-UHFFFAOYSA-N 360.347 1.168 0 40 FDAB NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3)CC2)O1 96263092 LNJIGANHLGVNFP-CQSZACIVSA-N 355.398 1.290 0 40 FDAB CCN1CCN(C(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)CC1 96536576 VKRSYNNFFXQQEN-UHFFFAOYSA-N 370.453 1.786 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3csc4ccccc34)C2)CN1C 247721682 BINAUPUBUNIMHK-OAHLLOKOSA-N 373.478 1.101 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cnccn3)C2)cc1 257213441 CHQKKGOUUHCIHT-IBGZPJMESA-N 356.426 1.194 0 40 FDAB Cc1nccc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 257278873 OEBBDYWMEZDMCX-UHFFFAOYSA-N 354.458 1.732 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(-c3cnc(N)nc3)n2)C1 257341912 ZMKDVJMWOAHZEI-OAHLLOKOSA-N 357.414 1.446 0 40 FDAB CC[S@@](=O)c1ccccc1C(=O)NC1CCN(S(=O)(=O)CC)CC1 24753888 CCDQJGXJPDLGQE-QHCPKHFHSA-N 372.512 1.358 0 40 FDAB CCCS(=O)(=O)NCc1cnc(CC2CCN(C(C)=O)CC2)cn1 257339122 ZAHDUMHXSUDSBJ-UHFFFAOYSA-N 354.476 1.107 0 40 FDAB COc1ccc(OCC(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1 257283596 OYYANESSZWKONK-SFHVURJKSA-N 357.410 1.724 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257209103 BOYZIPATMPXLTG-IRXDYDNUSA-N 354.472 1.633 0 40 FDAB CCn1nc(C)c(CC(=O)N2CCN(CCc3ccncc3)CC2)c1C 636292762 GUUOTFZXCFFEFO-UHFFFAOYSA-N 355.486 1.844 0 40 FDAB CCCc1onc(C)c1C(=O)N1CC2(CN(C)C[C@@H]2c2n[nH]c(C)n2)C1 1775958405 XEAIGTBMNIADOY-CYBMUJFWSA-N 358.446 1.533 0 40 FDAB O=C(CN1CCN(c2ccnc(C(=O)O)c2)CC1)Nc1ccccc1F 650765308 IVXNHHGXRDIOAL-UHFFFAOYSA-N 358.373 1.680 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccncc2OC)C1 585123242 KXHLUAGMWIQDST-CHWSQXEVSA-N 370.475 1.122 0 40 FDAB Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)ccc1-n1cccn1 685942971 ZBFOJFQMSHILIK-DOTOQJQBSA-N 353.382 1.480 0 40 FDAB CN(CC(=O)NC[C@H]1CCCO1)C(=O)c1ccc(Br)s1 48331802 LMWFLSJPJZPONL-SECBINFHSA-N 361.261 1.878 0 40 FDAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@@H]1CCCO1 75165340 PXHRNBNUGUWUCX-NSHDSACASA-N 362.352 1.563 0 40 FDAB CC(C)(O)CC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615121141 NEUVYDNEBJFXHR-IBGZPJMESA-N 364.417 1.711 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691763 OLIIMONMVGDYDK-BREBYQMCSA-N 364.345 1.341 0 40 FDAB CC(C)(C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12086257 KBOCQVMBDPYTMW-LJQANCHMSA-N 359.426 1.432 0 40 FDAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCCCC1 12184406 QWEDWJQZBJSYJG-UHFFFAOYSA-N 351.410 1.934 0 40 FDAB CC(C)(C)C(=O)NC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 15935686 CKCNUARWJYRGAH-UHFFFAOYSA-N 361.442 1.981 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)c1 16188414 MQAMQPQPTJPBFR-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CC(=O)N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl 16320943 UTYWSVRKHPQYPE-MNOVXSKESA-N 369.588 1.494 0 40 FDAB CCC[C@@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1 19501905 YBCAIJFTKWLQCM-SFHVURJKSA-N 358.490 1.979 0 40 FDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)C(C)C)CC2 19711448 QKLFIUDTRKXMLC-CQSZACIVSA-N 359.474 1.785 0 40 FDAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1ccc(OC)c(C)c1 19929593 OQFFRODVQBVPEC-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1cnn(C)c1 604277764 PDRIPKWNHZICOU-LRDDRELGSA-N 373.388 1.206 0 40 FDAB O=C(CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)N1CCNC1=O 102401023 WTMLECLGCXEIPA-CYBMUJFWSA-N 373.388 1.607 0 40 FDAB COC(=O)c1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1 5302094 JBYZXWDDPGCMPJ-UHFFFAOYSA-N 366.377 1.997 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(OC)ccc1Cl 647928563 PDKWIIQHSFFIDU-AWEZNQCLSA-N 363.819 1.603 0 40 FDAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nn2)c1 11696915 SGYFFQUBNRLYBC-OAHLLOKOSA-N 368.441 1.751 0 40 FDAB C[C@@H]1C[C@@H](C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1 12234934 HOHXLQTXUIYSDO-HUUCEWRRSA-N 362.478 1.027 0 40 FDAB Cc1sc2c(C)cccc2c1S(=O)(=O)N1CCO[C@@H](C(=O)O)C1 573792329 XNOZHHHINFVDNE-GFCCVEGCSA-N 355.437 1.992 0 40 FDAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCCn1nc2c(cc1=O)CCC2 575607043 IAEKFFPZPXVPIC-AWEZNQCLSA-N 371.437 1.633 0 40 FDAB Cc1cc(C)nc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n1 1888843442 QZENWXWQWMOVJN-UHFFFAOYSA-N 369.473 1.355 0 40 FDAB CN(C)CCCNS(=O)(=O)c1ccc(I)cc1 226855081 YFTKVWKYTDDYMQ-UHFFFAOYSA-N 368.240 1.521 0 40 FDAB CCCc1cc(C(=O)N2CCOC[C@](O)(COc3cccc(C)c3)C2)n[nH]1 2037938509 WNPPOCIFJZASIK-FQEVSTJZSA-N 373.453 1.953 0 40 FDAB O=C(NCC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565548638 GYZUAFVNAXHFJN-ZACQAIPSSA-N 358.442 1.084 0 40 FDAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 1425436 DWKXWSHPICQWLV-RYUDHWBXSA-N 365.455 1.189 0 40 FDAB CCC1=Nc2c(c(=O)n(C)c(=O)n2C)C(C(F)(F)F)(C(F)(F)F)N1 2491647 RWOMEMHTBHCKJL-UHFFFAOYSA-N 358.242 1.447 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(C)cc1)C1=C(COC1=O)N2 4495895 ODGIKUQCVTUAHY-CQSZACIVSA-N 367.405 1.634 0 40 FDAB O=c1c(=O)n2c(nn1Cc1ccccc1F)N(c1ccc(F)cc1)CC2 8848993 OFFHGVSFHNLUPU-UHFFFAOYSA-N 356.332 1.883 0 40 FDAB O=S(=O)(N[C@H]1CCCN(CCc2ccc3c(c2)CCO3)C1)C1CC1 2086864767 HKSVWNNOQISMSR-INIZCTEOSA-N 350.484 1.710 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@@H]1CS[C@]2(C)CSCC(=O)N12 40149018 OPIBDZDLGKJVFG-WMLDXEAASA-N 366.508 1.931 0 40 FDAB 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CC[S@@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1 6603041 WFBIDQRONBKXPY-VWLOTQADSA-N 366.439 1.739 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCO1 5860327 LEESMVDILZIQFY-INIZCTEOSA-N 368.455 1.987 0 40 FDAB Cc1ccccc1N(CC(=O)NCCCn1ccnc1)S(C)(=O)=O 4912847 WOCQRGCYEDUJGV-UHFFFAOYSA-N 350.444 1.164 0 40 FDAB Cc1ccc(N(CCN2C(=O)CSC2=O)[C@@H]2SC(=O)NC2=O)cc1 9338848 LUDKXJJNOALQQK-CYBMUJFWSA-N 365.436 1.806 0 40 FDAB Cn1nnc2cc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)ccc21 90501603 CZLBUGNEULBMGH-INIZCTEOSA-N 363.421 1.889 0 40 FDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 16599716 CSASLMCAOMVHBS-INIZCTEOSA-N 369.421 1.564 0 40 FDAB Cn1c(=O)n(CC(=O)C(C)(C)C)c(=O)c2c1nc1oc(C(C)(C)C)cn12 8706236 LDCZUVLWLKAJHE-UHFFFAOYSA-N 360.414 1.854 0 40 FDAB COCCn1c(-c2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 8725274 CBENOHMCBBDAMT-UHFFFAOYSA-N 372.425 1.864 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1F 84180757 SMFRMUYYPXRYFL-UHFFFAOYSA-N 355.435 1.090 0 40 FDAB CCNC(=O)NC1CCC(OC(=O)CNC(=O)Cc2ccccc2)CC1 72273151 NFORUIQYGLGVSN-UHFFFAOYSA-N 361.442 1.519 0 40 FDAB CS[C@@H]1CN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C[C@@H]1N(C)C 95444678 XZHUIUGRNRYWBM-OWCLPIDISA-N 355.548 1.918 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC(Cc2ccc(F)cc2F)C1 85461454 SWXFJJMBGMJXSC-UHFFFAOYSA-N 363.364 1.284 0 40 FDAB COc1ccsc1S(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 95943748 HRRNXXPRIYXGAZ-ZDUSSCGKSA-N 351.446 1.128 0 40 FDAB C[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)O 61720156 KSZHFCIMGYWOGB-LBPRGKRZSA-N 351.362 1.653 0 40 FDAB CNS(=O)(=O)c1ccc([C@H](C)NCCc2nc(C(C)C)no2)cc1 89577930 GETCEQUYBQHOOV-LBPRGKRZSA-N 352.460 1.994 0 40 FDAB CCOCCOc1ccc(S(=O)(=O)N2CCCC3(C2)OCCO3)cc1 89987016 DPBWAUDHSFDHPC-UHFFFAOYSA-N 371.455 1.630 0 40 FDAB COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)NCC2CC2)C1 306134586 NSQLTTSTPBPNRS-MRXNPFEDSA-N 355.442 1.445 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)n2ncnc2n1 306127265 FTNGHYOSXDZBRZ-HNNXBMFYSA-N 366.425 1.892 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)c1 1557318912 JPPDBEKNOIVUCO-GFCCVEGCSA-N 354.366 1.642 0 40 FDAB CCN1CCC[C@H]1CNC(=O)CSc1ccc2nnc(C(C)C)n2n1 524735047 QLEKZNJPOBMIKM-ZDUSSCGKSA-N 362.503 1.940 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c1C 35338681 CGYOKNNZRIQBNA-AWEZNQCLSA-N 371.441 1.602 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 72384144 NHNFRFSENOKDOK-OAHLLOKOSA-N 369.425 1.814 0 40 FDAB CC(=O)NCC(=O)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353574 SGFHBFVTWJGWQB-QGZVFWFLSA-N 367.453 1.120 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217469847 UIFQHNKLDLWSGY-CYBMUJFWSA-N 372.443 1.291 0 40 FDAB CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)O)CC1 72403417 WNWINMXDUWBXIB-LLVKDONJSA-N 374.363 1.377 0 40 FDAB Cc1nc(CNS(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cs1 226687763 QGAUYSSOPSLEJV-UHFFFAOYSA-N 355.441 1.103 0 40 FDAB Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCOCC2)nc1 224275365 TXHBLNJKFKAISF-UHFFFAOYSA-N 352.391 1.562 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 85473582 YIVFYTDHDMMBNE-CHWSQXEVSA-N 365.455 1.075 0 40 FDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 514290288 WHIPEWYWAGOUAV-NHCUHLMSSA-N 364.493 1.587 0 40 FDAB biogenic,in-vitro CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 223278714 NWQMQPOBPRXNKN-UHFFFAOYSA-N 362.407 1.815 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H]2COc3ccccc3O2)C1 333047057 FZXXAZVGJPUKTL-UONOGXRCSA-N 368.455 1.099 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 98086215 UKSABCVJLBOJSW-CQSZACIVSA-N 373.906 1.517 0 40 FDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2[nH]c1=O 95473396 MFUKILUTQRWULO-LBPRGKRZSA-N 357.366 1.969 0 40 FDAB CCS(=O)(=O)C[C@]1(c2ccc(Br)cc2)OC[C@@H](CO)O1 96531779 ZXNQLFJLXXQDJT-OLZOCXBDSA-N 365.245 1.444 0 40 FDAB CS(=O)(=O)CC(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96106511 JRHKBMWRLKSCDM-HNNXBMFYSA-N 359.488 1.103 0 40 FDAB COCCNC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)c1 520812679 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UGFZVQQKFUSLBO-ZDUSSCGKSA-N 354.428 1.951 0 40 FDAB O=C(O)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 5570021 CYMGKIYLVZCIJI-SECBINFHSA-N 366.189 1.045 0 40 FDAB O=C(c1cncs1)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978480 YJZIJLYKKXUONB-SFHVURJKSA-N 373.434 1.418 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC(NC(=O)c3cnn(C)c3)C2)C1 1565552440 UIFBSKZQSCZFGU-UHFFFAOYSA-N 369.425 1.248 0 40 FDAB Cn1cccc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)c1=O 2055835220 QULBPIINFZAZHW-YJYMSZOUSA-N 373.384 1.372 0 40 FDAB CCNc1nc(OCC)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100165385 KRZAEPVAICGQHO-STQMWFEESA-N 356.430 1.488 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207016637 QWQDDZUMQHPMGM-GFCCVEGCSA-N 358.427 1.871 0 40 FDAB Cc1nc(CSc2nnc(Cc3c(C)[nH]c(=O)[nH]c3=O)o2)cs1 36708466 BNARRMJPWGRRIB-UHFFFAOYSA-N 351.413 1.403 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc(-c2ccco2)n[nH]1 225796622 WOFHUGSNPIXNTB-UHFFFAOYSA-N 350.338 1.205 0 40 FDAB C[C@@H]1CN(c2ncc(Br)cn2)CCN1Cc1cnn(C)c1 2298029629 WFWFUWJYAVNVJX-LLVKDONJSA-N 351.252 1.683 0 40 FDAB COc1ccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c(OC)c1 31811118 GDGMOOCPPKKYQW-LBPRGKRZSA-N 355.354 1.349 0 40 FDAB COCCN1CNC2=N[C@H](c3ccccn3)n3c(nc4ccccc43)N2C1 20567794 SIYQYPXBSPXOKZ-KRWDZBQOSA-N 363.425 1.621 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC 20761490 HEHCIYGPTYUJJW-MEDUHNTESA-N 358.398 1.637 0 40 FDAB biogenic COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F 20729110 WCWVFYSOCLGELG-VFZGTOFNSA-N 364.352 1.907 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1C 8752178 DUMSLXOYRMXPDD-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c(C)c1C 8710166 HEKHHPMDBIXDLA-UHFFFAOYSA-N 354.410 1.550 0 40 FDAB CN(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)Cc1ccccc1 8754183 ARIPYPCFMXSNPE-MRXNPFEDSA-N 364.449 1.836 0 40 FDAB C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 79049919 MRNVGBRHBRCKKM-PBHICJAKSA-N 371.462 1.889 0 40 FDAB COc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 4985015 ZYEMAJDTXGYRLM-UHFFFAOYSA-N 367.365 1.517 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1 10385149 NWMWAJRYMKHCNA-RYUDHWBXSA-N 356.831 1.832 0 40 FDAB Cc1ccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)n1C 23575696 INDWVFZAYOEFCZ-UHFFFAOYSA-N 368.437 1.507 0 40 FDAB O=C1COc2cc(C(=O)N3CCN(Cc4ccncc4)CC3)ccc2N1 23911152 FUJUPNAJWHKDIA-UHFFFAOYSA-N 352.394 1.371 0 40 FDAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccc(OC)cc2)C1=O 101378496 NCIMJPOSHPTNQD-XOYPXTSZSA-N 360.366 1.635 0 40 FDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccc2[nH]ccc2c1 61718341 FGVJQWLPEGOCAF-UHFFFAOYSA-N 353.382 1.200 0 40 FDAB COc1ccccc1OCCNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 61718919 UKHAXVMBCWYFPK-UHFFFAOYSA-N 372.377 1.836 0 40 FDAB CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)cc1 9288770 QGZCQIKHTRZCDO-MRXNPFEDSA-N 358.394 1.360 0 40 FDAB CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O 106697626 HWVFWNMATMHVMS-DZTUFKMZSA-N 353.440 1.444 0 40 FDAB Cc1ccnc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 12639495 BBBZFSPRCIMHLH-LJQANCHMSA-N 350.378 1.722 0 40 FDAB CC(C)Cn1nnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 12601466 ZYYZCUDNEYOAON-LBPRGKRZSA-N 363.443 1.377 0 40 FDAB Cc1nn(C)c(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 12692811 MQAPNEYYXKBBFA-UHFFFAOYSA-N 370.409 1.958 0 40 FDAB CS(=O)(=O)Nc1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 8992960 HDEXRWRDXLAGRL-UHFFFAOYSA-N 369.424 1.102 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccncc1 9061248 JEBVLGNOSCNRQS-INIZCTEOSA-N 352.394 1.599 0 40 FDAB COc1cccc2c1OC(=O)[C@@H]1[C@@H](C(=O)O)Sc3[nH]c(=O)sc3[C@@H]21 4042647 DYFKIRSJFMIWQT-LAEOZQHASA-N 365.388 1.671 0 40 FDAB biogenic Nc1nonc1-c1nc2ccccc2n1Cc1nc2ccccc2c(=O)[nH]1 4386100 SGILAIWRFMGAKS-UHFFFAOYSA-N 359.349 1.953 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(C(=O)NC2CC2)c1 14085515 SGDOXERDGCSXMB-UHFFFAOYSA-N 362.393 1.871 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)s1 6605425 YXKCWXIIMAJCHQ-XXFAHNHDSA-N 365.459 1.922 0 40 FDAB C[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCO2 5674073 ZYJPBBXWVHWUIN-LBPRGKRZSA-N 367.365 1.647 0 40 FDAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@H]1CCS(=O)(=O)C1 5677232 HLLMRCBRWJXVSH-VIFPVBQESA-N 370.431 1.006 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592309 LACFTFGEZZQLLS-RKDXNWHRSA-N 369.270 1.811 0 40 FDAB COc1ccc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 6976143 WRFHKHYPQNCHBY-UHFFFAOYSA-N 360.439 1.625 0 40 FDAB C[C@@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)N(C)c1ccccc1 16258825 OTKBFNUOCBDIMS-CYBMUJFWSA-N 366.377 1.386 0 40 FDAB COc1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 8136084 BWNVNMVBIVHFCM-UHFFFAOYSA-N 369.377 1.879 0 40 FDAB O=C(N[C@@H]1CCCNC1=O)c1[nH]nc(-c2ccccc2)c1Br 69337894 FNBPBSXRWRNWSD-SNVBAGLBSA-N 363.215 1.848 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)oc2ccccc21 8313552 DFWQNBBSUXFOJR-CYBMUJFWSA-N 354.362 1.893 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(NCCc2ccccc2)s1 9514212 ACPDRCTVPOMURT-UHFFFAOYSA-N 351.457 1.740 0 40 FDAB O=C(c1cccc(C(=O)N2CCCC[C@@H]2CO)c1)N1CCCC[C@H]1CO 17074264 RFKJZBHUNYXHFI-HDICACEKSA-N 360.454 1.661 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@H]3CN(C)C)c2C)n1 97000945 GETRNCSQOXYQLH-KRWDZBQOSA-N 370.501 1.991 0 40 FDAB Cc1c(S(=O)(=O)NCCCCC(N)=O)cnn1-c1ccc(F)cc1 95461674 YXCNDIJQBOMTEZ-UHFFFAOYSA-N 354.407 1.254 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)[nH]n1 95999069 CYONOWNRZRNMIH-OAHLLOKOSA-N 374.466 1.715 0 40 FDAB CCOCc1ccc(CNc2ccc(S(N)(=O)=O)cc2C(N)=O)cc1 75108991 PJDUXWIRKMTUTN-UHFFFAOYSA-N 363.439 1.582 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ncccn1)C2 306127344 FWIULMJDTBKWQO-CQSZACIVSA-N 371.416 1.626 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 32641345 DDXOLTLYXSKTTC-SMDDNHRTSA-N 373.858 1.460 0 40 FDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)NC2CCCCCC2)c1 217450974 VBVOEUOEQOABHO-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB CN1CCCC[C@H](C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1=O 72372016 UNANDEYRPQAQMF-CQSZACIVSA-N 354.476 1.079 0 40 FDAB Cc1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 224382897 OPXQDJCDAHZADH-HNNXBMFYSA-N 369.487 1.008 0 40 FDAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCCC(=O)NC1CC1 227150142 IHAOLSPHWZHMRQ-AWEZNQCLSA-N 356.426 1.733 0 40 FDAB CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 75157643 GGNKHABGIBCMDC-MRXNPFEDSA-N 354.428 1.017 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1F 226743966 YXBLGMRMJRDIND-UHFFFAOYSA-N 370.406 1.529 0 40 FDAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCn2ccnc2)c1 44884878 UTIXDUXXMPOFJH-UHFFFAOYSA-N 356.835 1.728 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N2CCCCC2)n1 224214354 JPSGGVBGZHJNIC-UHFFFAOYSA-N 351.432 1.550 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 583623108 RNDDTFRPKWBAAK-HUUCEWRRSA-N 368.524 1.654 0 40 FDAB COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3ccoc3C)C2)c(=O)c1 583620142 GKCMSUVRRFWLHY-HNNXBMFYSA-N 374.441 1.705 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)COc2ccc(F)cc2F)CC1 330416033 BYVJNFVRPBWJCJ-UHFFFAOYSA-N 362.398 1.131 0 40 FDAB CCOC[C@@H]1C[C@]2(COCCN2S(=O)(=O)c2cccc(F)c2)CO1 96078598 OOVIIUIGMBVCEV-HOCLYGCPSA-N 359.419 1.411 0 40 FDAB O=C(NC1CCN(c2ncccn2)CC1)[C@@]1(O)CCc2ccccc2C1 585080910 NYFIBRRMPWMERR-HXUWFJFHSA-N 352.438 1.482 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 247957425 ODFBEHSCYKFGNC-URYASSDKSA-N 356.422 1.800 0 40 FDAB O=C(c1ccccc1F)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 247799002 DWXAVHPHWIFRMN-CQSZACIVSA-N 367.442 1.882 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CCO1 257339669 ZCRWAWGSRPIQON-ZDUSSCGKSA-N 358.446 1.777 0 40 FDAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257336871 YQJFHQGSXDEZSJ-UHFFFAOYSA-N 364.475 1.469 0 40 FDAB CCN1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1=O 542726188 NWFFSWINGJAHDG-GOSISDBHSA-N 374.485 1.706 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](c2c(C(N)=O)sc3ncccc23)C1 257242328 IBYFZYBEQXWRJT-JTQLQIEISA-N 368.484 1.381 0 40 FDAB CCc1nsc(N2CCN(C(=O)NC[C@H](C)Cn3cccn3)CC2)n1 608409583 JOZVGELYQQLOLU-ZDUSSCGKSA-N 363.491 1.465 0 40 FDAB Cc1cc(C2CCN(C(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3C)CC2)n[nH]1 643794968 OKPZWFMQHQPMKP-SJORKVTESA-N 356.474 1.469 0 40 FDAB CN1CCN(C[C@H]2CN(C(=O)c3cccc4c3CCCC4)CCO2)CC1 648277526 WIYTWLUVLMGBCH-SFHVURJKSA-N 357.498 1.654 0 40 FDAB Cc1ncc(CN2CCC[C@@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)s1 585099581 RDCJJRBFIUKCEE-GOSISDBHSA-N 358.467 1.779 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(F)C2)O1 585108721 IWPBIGGGAZEEDR-CIPPXXOHSA-N 361.417 1.594 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3sccc3C)C2)OC1 585105180 PSHXNLQOUIDMIU-AWEZNQCLSA-N 358.529 1.977 0 40 FDAB CC1CC(C(=O)N2Cc3nnn(C)c3[C@H](COCCN3CCCC3)C2)C1 585110833 MALJNGHYOYFLHL-GPANFISMSA-N 361.490 1.399 0 40 FDAB COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(C)nn3C)C[C@H]12 585109803 VTJFFEYESFPRNZ-CMKODMSKSA-N 354.454 1.761 0 40 FDAB CNC(=O)c1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cn1 95997985 FVGDYHZXTKNQDE-UHFFFAOYSA-N 362.393 1.397 0 40 FDAB CC(C)N1CCC(N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)CC1 1615157559 OUEMFOMBEVIFBE-DNVCBOLYSA-N 373.505 1.279 0 40 FDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 5241578 AVAKEYIVCHGKAJ-CYBMUJFWSA-N 372.377 1.819 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccccc2OC)C1=O 5449219 KDNPHACXNLYXMB-UHFFFAOYSA-N 362.382 1.532 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 5453675 VYLGXILXUMVXGG-UHFFFAOYSA-N 363.424 1.336 0 40 FDAB CNC(=O)OCc1nc(S[C@@H]2CCCCO2)n(C)c1COC(=O)NC 5502699 PQKMQJDWCHBYHJ-GFCCVEGCSA-N 372.447 1.751 0 40 FDAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 12187259 BVTJGEPFADOQQK-HOCLYGCPSA-N 369.465 1.968 0 40 FDAB Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3C(C)C)n2)cc1 15674576 MVTHXJKRUJXLQQ-HIFRSBDPSA-N 365.455 1.868 0 40 FDAB biogenic,in-vitro O=C(NCCN1C(=O)CSC1=O)c1ccc(Oc2ncccn2)cc1 19403939 CPARSKVHTLWGBI-UHFFFAOYSA-N 358.379 1.694 0 40 FDAB CC1(CNC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)COC1 19718213 JBMSFHONDZAXLC-HNNXBMFYSA-N 355.438 1.712 0 40 FDAB CCn1nccc1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19748642 WUYYYEUVEPZROV-UHFFFAOYSA-N 367.453 1.324 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 4251548 MBYDSOGTRGIZOJ-STQMWFEESA-N 373.409 1.035 0 40 FDAB Nc1nc(N)nc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1 7112695 WEZCDBDRAOVKBK-UHFFFAOYSA-N 354.443 1.846 0 40 FDAB Cc1nc(C)c(CN2C[C@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@@H]3C2)s1 1888842606 XTBRHESOSJCWDZ-STQMWFEESA-N 361.471 1.127 0 40 FDAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cnn(C)c2)cc1OCC 20924094 ITUVBLXEYPNMOS-UHFFFAOYSA-N 360.414 1.928 0 40 FDAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCOCC2)C1=O 22192327 JWMHYPMISIHNDB-OAHLLOKOSA-N 368.231 1.506 0 40 FDAB COC1(CC(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)CCC1 1565546797 DUMVYTAXPSTUAU-IAGOWNOFSA-N 353.507 1.199 0 40 FDAB CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C 4511931 PRLBPZZRXKAQHT-OLZOCXBDSA-N 365.459 1.870 0 40 FDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c1 10330888 BCMGJXDWYATICO-CQSZACIVSA-N 361.398 1.654 0 40 FDAB Cc1nnc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)s1 13701958 PQCHIOQWBMUKEZ-UHFFFAOYSA-N 350.429 1.716 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)o1 2055795704 GQLADKWZWJDPRJ-GOSISDBHSA-N 357.414 1.505 0 40 FDAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)c3cocn3)CC2)c1 2055750651 MKNHKSUQLCCFIF-UHFFFAOYSA-N 372.425 1.858 0 40 FDAB Cn1c(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3ccccc3)C2)cccc1=O 2055739411 WLQBGXGJJTZKPA-BFYDXBDKSA-N 367.405 1.254 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(Cc4nc(C(C)C)no4)CC3)nn2)n1 2086889510 LCLPLENKTOWYQM-UHFFFAOYSA-N 368.445 1.799 0 40 FDAB Cc1noc([C@@H]2C[C@H](F)CN2S(=O)(=O)c2ccc3c(c2)CCO3)n1 585146138 UIWJXYAFWYYNNY-AAEUAGOBSA-N 353.375 1.787 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)CC1 618256590 KJQJTDQGXARDCO-HNNXBMFYSA-N 371.528 1.110 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100641683 KQNSWQIZKZKVJE-ZMPPFODHSA-N 371.364 1.747 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 20722575 AMRNUDYGJZWSEX-HNNXBMFYSA-N 361.442 1.676 0 40 FDAB O=c1ccc(-n2cncn2)nn1CN1CCN(c2cccc(Cl)c2)CC1 32936780 UOKLHYIXHFKXMH-UHFFFAOYSA-N 371.832 1.257 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(O)nc1 11919248 QBJMNZSIYPUEBS-GFCCVEGCSA-N 368.393 1.623 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccnc1-n1cccn1 103103154 AJYAHLVTYMXXRK-BETUJISGSA-N 351.366 1.157 0 40 FDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 1941382 LYNDGBQCPFXDDZ-UHFFFAOYSA-N 356.309 1.604 0 40 FDAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[nH]c1=O 79189228 FYCINCFIQRBUIU-XJKSGUPXSA-N 353.330 1.937 0 40 FDAB biogenic COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCc2ccco2)c1 2437376 YKMFWMOAGUDPHG-UHFFFAOYSA-N 368.411 1.234 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cnc3ccccc3n2)cc1 6653786 KOWMVATVMMTFQN-UHFFFAOYSA-N 356.407 1.250 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1 8374306 QUKLOOAVEFJEIA-UHFFFAOYSA-N 354.428 1.454 0 40 FDAB CCOc1ncccc1CNC(=O)NCc1ccnc(N2CCOCC2)c1 26381985 IBONQMQWHWIQMI-UHFFFAOYSA-N 371.441 1.711 0 40 FDAB COc1ccc2c(c1)CN(C(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)CC2 58178274 ZMXIVGLONRFYAE-UHFFFAOYSA-N 373.434 1.078 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(C)n3n2)cc1 44892398 LCSWQSAAONDIHI-UHFFFAOYSA-N 357.395 1.950 0 40 FDAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccco3)cn2)C[C@@H](C)O1 72304736 OXNHFEJPSLXYSV-CHWSQXEVSA-N 361.402 1.434 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)N[C@@H](C)CC)c1 58226667 LCBQGZQFFWDBRX-ZDUSSCGKSA-N 369.487 1.328 0 40 FDAB NC(=O)Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccs1 12760324 BVXLTNYENGAIAB-UHFFFAOYSA-N 365.484 1.597 0 40 FDAB Cc1ccc(OC[C@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 25243679 QXCSKOJFTAZUMU-LLVKDONJSA-N 370.327 1.714 0 40 FDAB Cc1nnc(O)c2c1[C@H](c1ccc(Br)cc1)n1nnnc1N2 10298484 PDUHERUFZCKWSR-NSHDSACASA-N 360.175 1.934 0 40 FDAB Cc1ccc(CSCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 28025288 BYSZOCAYZOMDFC-UHFFFAOYSA-N 361.511 1.651 0 40 FDAB Cc1ccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)cc1 12741840 OSIJVASGPRMGBL-UHFFFAOYSA-N 374.422 1.505 0 40 FDAB O=C(Cc1nc2ncccn2n1)N1CCCN(Cc2ccc(F)cc2)CC1 45878167 WTZWXKKSUREYHW-UHFFFAOYSA-N 368.416 1.540 0 40 FDAB COc1ccccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12883802 ONHSFDGRVJIGJR-UHFFFAOYSA-N 372.425 1.495 0 40 FDAB CCOc1ccc2nc(NC(=O)CCn3[nH]c(=O)ccc3=O)sc2c1 12808259 AFJZIVWSMMDRTB-UHFFFAOYSA-N 360.395 1.574 0 40 FDAB Cc1cccc(OCc2nn(CC(=O)N3CCN(C)CC3)c(=S)o2)c1 409170590 WLNLFWYXKCJKLT-UHFFFAOYSA-N 362.455 1.867 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@@H]1CCCc2ccccc21 3544108 RQCVTGRDTXBDFY-MRXNPFEDSA-N 369.421 1.914 0 40 FDAB COC(=O)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 12944536 VDBTWFFCKQDNLN-INIZCTEOSA-N 351.366 1.697 0 40 FDAB Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(Cl)c1 6082803 PRLBFHMHXFTQPZ-UHFFFAOYSA-N 361.789 1.034 0 40 FDAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 5274314 LTYBIETUILFDPF-CQSZACIVSA-N 366.421 1.682 0 40 FDAB CCN(C(=O)CSc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 6611869 IKPIMGXTFFYBKN-CQSZACIVSA-N 370.496 1.773 0 40 FDAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 16096912 AHSVEECIVCJOCX-UHFFFAOYSA-N 354.409 1.753 0 40 FDAB O=C(CCc1nc(-c2cccs2)no1)NCCc1nnc2n1CCC2 69491507 BXTWBPWBKXYLCH-UHFFFAOYSA-N 358.427 1.627 0 40 FDAB O=C(COc1ccccc1CN[C@H]1CCCS(=O)(=O)C1)NCC1CC1 84504946 LCIPLXWUBZGTKK-INIZCTEOSA-N 366.483 1.258 0 40 FDAB CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 83851053 NSIVAFIWPJMCQL-KRWDZBQOSA-N 359.470 1.541 0 40 FDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccccc1N1CCN(C)CC1 95408305 AKBWSZYMZCWJJM-LSDHHAIUSA-N 359.474 1.556 0 40 FDAB CN(CCCC(=O)O)C(=O)c1sccc1S(=O)(=O)N1CCCC1 95956959 VVKVECJSNARKQL-UHFFFAOYSA-N 360.457 1.469 0 40 FDAB CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CCNC(N)=O)CC2 548680653 TXGAEKFDAGJENF-GFCCVEGCSA-N 351.476 1.014 0 40 FDAB CC[C@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2 1662471 SARNOWGPKQIWFT-HXUWFJFHSA-N 366.373 1.600 0 40 FDAB biogenic,in-vitro C[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)Oc2ccccc2N=C1O 36357539 LAIYSFSEJLPMLF-INIZCTEOSA-N 361.379 1.712 0 40 FDAB CCN(CC)C(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12 72348098 FLVKDNAMTFWBBW-UHFFFAOYSA-N 374.832 1.136 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)Nc1nccs1 1547200949 PBQHWEXYSMIHSL-UHFFFAOYSA-N 356.367 1.128 0 40 FDAB COc1ccc(S[C@H](C)C(=O)NCCN2CCOCC2)cc1OC 216377594 NIIFRWJDPBPEBM-CYBMUJFWSA-N 354.472 1.633 0 40 FDAB CCCCNc1nc(NC2CC2)nc(Oc2ccc(OCC(N)=O)nn2)n1 32604499 RTBGMJVFMSVKLN-UHFFFAOYSA-N 374.405 1.104 0 40 FDAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3cc(C)no3)CC(=O)N1CC2 72342221 KRHYCWRTOWGKIE-CQSZACIVSA-N 371.393 1.582 0 40 FDAB C[C@@H](CNC(=O)N[C@H](C)Cn1cncn1)c1nc(-c2ccccc2)no1 89683936 LBKFNHYWAMMJQF-QWHCGFSZSA-N 355.402 1.820 0 40 FDAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 226076943 CHOGNLKLKRQODR-UHFFFAOYSA-N 370.471 1.249 0 40 FDAB COC(=O)C[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1 195561736 SKHARGCSWPABPQ-DZKIICNBSA-N 370.471 1.543 0 40 FDAB O=C(C1=CCCCC1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 96209685 RAFMMWBEJAHEKZ-OXJNMPFZSA-N 355.438 1.926 0 40 FDAB COC[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1ccc(C)cc1OC)C2 96110334 KZCXVCXFVKQNPG-SJORKVTESA-N 355.456 1.820 0 40 FDAB Cn1nccc1-c1ccccc1CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 579869399 ZNRAYUIRSDMZQQ-FQEVSTJZSA-N 367.453 1.897 0 40 FDAB CC(C)C(=O)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96145461 WDLZARFJFFZTGQ-HZPDHXFCSA-N 351.472 1.490 0 40 FDAB COc1cn(CC(=O)NC2CCCC2)c(CN2CCSCC2)cc1=O 96118197 RIKOBZVFXMOAKL-UHFFFAOYSA-N 365.499 1.465 0 40 FDAB Cc1ccccc1CC(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257287210 POYWNHFNQCXUOP-FQEVSTJZSA-N 354.454 1.817 0 40 FDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CCc1cccnc1 257315425 VBGXZORSLMSETE-LJQANCHMSA-N 355.442 1.294 0 40 FDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 257286900 PNOSANVAJHQNIM-CQSZACIVSA-N 350.448 1.096 0 40 FDAB Cc1ccc2nc(C(=O)N3CCOC[C@H](Cc4ccncn4)C3)cn2c1 257263615 LQTIKHSXJWZSSZ-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB O=C(CCc1cccnc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257289806 QAHGOFQYKRWBGE-ROUUACIJSA-N 351.406 1.657 0 40 FDAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H](O)C(F)(F)F 270785560 FDUABYJWVBHRJP-MFKMUULPSA-N 369.361 1.828 0 40 FDAB Cn1nnc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)ccc21 636296454 HWMOWEMDRKVBGF-UHFFFAOYSA-N 350.426 1.364 0 40 FDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 643850201 MNEQHDDCSXKKIR-KSSFIOAISA-N 367.446 1.006 0 40 FDAB CCc1ccc(-c2noc(CN3CCC[C@@](O)(CC(=O)NC)C3)n2)cc1 643814529 WNCBVRQRPUHHCN-LJQANCHMSA-N 358.442 1.762 0 40 FDAB C[C@@]1(C(F)F)CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCO1 664642011 JXVMRHMMQRJGTN-GUYCJALGSA-N 368.384 1.643 0 40 FDAB COCCOc1ncccc1NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 665963871 IWHIXDUHBFIGSM-NWDGAFQWSA-N 357.432 1.194 0 40 FDAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2=NN(CC(C)C)C(=O)CC2)C1 1775957980 WGUUMTVDFJCDBS-GXTWGEPZSA-N 363.418 1.301 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NC(=O)Cn2nc(C(F)(F)F)cc2C)n[nH]1 685943109 VXYZZTCQFUMTOM-JOYOIKCWSA-N 358.324 1.283 0 40 FDAB COC(=O)c1c(C)nc(C2CC2)nc1S[C@H](C(=O)NC(N)=O)C(C)C 36393037 IDRFLURQOJNCMM-NSHDSACASA-N 366.443 1.761 0 40 FDAB Cc1noc([C@H]2CCCN(CCC(=O)Nc3sccc3C(N)=O)C2)n1 103469389 FWIDWESILIASGX-NSHDSACASA-N 363.443 1.747 0 40 FDAB CCc1nnc(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)n1N 5580903 KQWNNNMTMAIBRJ-UHFFFAOYSA-N 363.443 1.850 0 40 FDAB O=C1NCC2(CCC(C(=O)N3CCC[C@@H](O)C3)CC2)Oc2ccccc21 12086802 LTSICCWQWHFVMP-RDYUPDBUSA-N 358.438 1.721 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)c4ccccc4F)CC3)c2n1 12336902 RJSXKWOBQAIQDL-UHFFFAOYSA-N 356.361 1.852 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC(C(=O)c4ccnn4C)CC3)cc2n1 12337210 ZCQITBIHDITYNJ-UHFFFAOYSA-N 366.425 1.815 0 40 FDAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 13509551 ACSFOIGNUQUIGE-SERXDUEGSA-N 364.482 1.862 0 40 FDAB biogenic,in-vivo Cn1c(=O)c2[nH]c(Sc3nnc(-c4ccccc4)o3)nc2n(C)c1=O 16363731 ODYXMNDWCDAYAQ-UHFFFAOYSA-N 356.367 1.162 0 40 FDAB O=C(C1CC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19014628 YEXUSRSFQHHFNI-CQSZACIVSA-N 356.470 1.797 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCC3)C2)c2cccnc21 19021620 MTKBOHBWGCXZAI-OAHLLOKOSA-N 355.442 1.683 0 40 FDAB Cc1cccc(N2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)c1C 19235642 HBSPFQIHEQFMLS-QGZVFWFLSA-N 356.474 1.791 0 40 FDAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C(C)=O)ccc1OC 19365225 JYPBJOWIVVJGAF-GOSISDBHSA-N 361.486 1.583 0 40 FDAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2 19498835 UMTQIDKGRDTNMZ-OAHLLOKOSA-N 358.442 1.528 0 40 FDAB CCN1C[C@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1=O 19526972 OVIXYOCFVFIUBD-OAHLLOKOSA-N 371.485 1.039 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(C)n1 19552458 ZZJVNYJLCTZRKQ-HNNXBMFYSA-N 366.469 1.891 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3ncc(Cl)cc3C2)CC1 19572321 OSLGRWUHVNPTLF-UHFFFAOYSA-N 357.863 1.291 0 40 FDAB COC(=O)[C@@H]1CCc2nnc(-c3sc(N4CCOCC4)nc3C)n2C1 601044217 JXXBDXGENOWPTE-LLVKDONJSA-N 363.443 1.282 0 40 FDAB CCCc1cc(O)nc2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)n12 4250302 OIQLLWFPUDDQIC-GHMZBOCLSA-N 365.459 1.510 0 40 FDAB C[C@H]1CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C[C@H](C)O1 4304803 BETBGWHZTHUUBZ-RYUDHWBXSA-N 351.428 1.076 0 40 FDAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)sc2C1 13789879 HURJRUZMRSZIAK-WDEREUQCSA-N 357.501 1.878 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)nn12 1888881997 JXDDJALAYZDIKE-BETUJISGSA-N 367.388 1.175 0 40 FDAB O=C(NCc1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888921909 MPBXDNSSWPMFHT-HOTGVXAUSA-N 363.425 1.402 0 40 FDAB FC(F)(F)c1nnc2ccc(=N[C@@H]3CCN(C4CCOCC4)C3)[nH]n12 1889084233 NSZQHUFZGCUJHF-SNVBAGLBSA-N 356.352 1.230 0 40 FDAB Cn1cc(CCC(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)cn1 2037908898 FIGDVJOTGQSUAS-LJQANCHMSA-N 361.417 1.924 0 40 FDAB CCCc1cc(C(=O)N2CCOC[C@](O)(COc3ccccc3C)C2)n[nH]1 2037938507 WFLVEXLSSKJTLU-FQEVSTJZSA-N 373.453 1.953 0 40 FDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)c1 2056226487 SFGUVEMACDYCBF-SJLPKXTDSA-N 352.406 1.282 0 40 FDAB CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)C[C@@H]21 1565544424 KLJWOHGKAHRIIR-CTXXGXLOSA-N 356.469 1.023 0 40 FDAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565550568 CULQLRCSMSKUJL-OALUTQOASA-N 354.454 1.844 0 40 FDAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NC1CCCCC1 4139766 PAROTBBQKOFBEO-UHFFFAOYSA-N 366.425 1.485 0 40 FDAB COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)c1 7418837 LFGMXXPSUGKTRC-UHFFFAOYSA-N 369.381 1.842 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134438 XSJYLIMNUAKTDZ-UHFFFAOYSA-N 372.429 1.821 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1 23180351 SGOVAGLBWBGJMD-GOSISDBHSA-N 361.467 1.742 0 40 FDAB NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl 6818551 ICUKZJSNKIUHJN-UHFFFAOYSA-N 361.814 1.466 0 40 FDAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccccn2c1=O 96114376 XBTMXCACCVIARL-LBPRGKRZSA-N 370.361 1.809 0 40 FDAB biogenic Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 100033377 LEGUQVJAPNEYJO-DLBZAZTESA-N 363.377 1.927 0 40 FDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCc4cccnc4)C3)nn12 31820752 LGDVMDKGNUSEJC-HNNXBMFYSA-N 351.414 1.361 0 40 FDAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c1 32809573 ZCFXULSTCGMBHH-GFCCVEGCSA-N 360.332 1.987 0 40 FDAB CCc1nc(C)c2c(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)sc2n1 32903227 APXIGURGXUPGBL-JTQLQIEISA-N 353.469 1.787 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 22023447 RPMHQEFNWQDEKJ-SNVBAGLBSA-N 370.427 1.613 0 40 FDAB COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 1027024 ZNSXAVSVPVVBJU-UHFFFAOYSA-N 369.208 1.797 0 40 FDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@@H](C)C(=O)O)cc1 2948675 FKQOCJPOGWADSB-HKLRHMNMSA-N 358.350 1.648 0 40 FDAB CCc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 3339939 IUAQCTJLDQTGBU-UHFFFAOYSA-N 362.407 1.692 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 22496563 FBUNLAOVHAMURU-OKILXGFUSA-N 371.437 1.524 0 40 FDAB CC(=O)Nc1ccc(OCC[n+]2ccc(CCS(=O)(=O)O)cc2)cc1 4832790 TVAYQJDDDOSXSP-UHFFFAOYSA-O 365.431 1.442 0 40 FDAB Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccn1 6498261 LONPWPAKCRSCLJ-UHFFFAOYSA-N 360.370 1.331 0 40 FDAB COc1ccccc1N1CCN(C(=O)CSc2nnc(N)s2)CC1 8066709 MGISMVKEUDFNCV-UHFFFAOYSA-N 365.484 1.570 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 8283056 KSWFDWBIECFAAD-UHFFFAOYSA-N 369.381 1.223 0 40 FDAB COc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 55243088 UJRWVDRNGLXPGW-ZDUSSCGKSA-N 359.469 1.344 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)CCc4ccsc4)CC3)ncnc21 23462733 KQINZUXWKLLTBM-UHFFFAOYSA-N 356.455 1.706 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccccc2N2CCCCC2)C1=O 12534487 XXBCEYHEGVPYQV-IBGZPJMESA-N 373.457 1.841 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1 8477135 NHQBAELQBSKVDV-UHFFFAOYSA-N 353.444 1.645 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)OC 55037004 ADNYRPASIRNTFT-NWDGAFQWSA-N 352.456 1.985 0 40 FDAB COc1ccccc1[C@@H](C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 24626992 MIKCUZKCOZTMOM-SNVBAGLBSA-N 354.414 1.752 0 40 FDAB COc1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccn1 12523300 KKYUZFJSLGUUHH-UHFFFAOYSA-N 361.423 1.461 0 40 FDAB O=C(CN1[C@@H]2CC[C@@H]1c1snnc1C2)N1CCN(c2ccccn2)CC1 100214697 XAOFLIPGBSVUJV-UKRRQHHQSA-N 370.482 1.344 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCCc2cccc(Cl)c2Cl)nn1 56983398 VBTVVXFEGFCMBK-UHFFFAOYSA-N 370.240 1.646 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 108696574 LYNKFGMKLXXCNN-ZWKOTPCHSA-N 357.454 1.666 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3n2C)c1 58193591 STIVRABWEMEKQU-UHFFFAOYSA-N 374.466 1.814 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 10031150 AQWUIVTXGDBZIR-SNVBAGLBSA-N 369.805 1.237 0 40 FDAB Cc1nc(COc2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2)no1 10999802 YFYQLIYZFLVOTL-UHFFFAOYSA-N 373.394 1.694 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 36408734 HFIFPJZTEZXRKQ-UHFFFAOYSA-N 358.398 1.388 0 40 FDAB CCC1(CC)CC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 28916092 LGJUGNHXYILXFZ-LBPRGKRZSA-N 358.394 1.209 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)/C=C/c2cccs2)C[C@@H](C)O1 29188387 HKECPTOHFRWIKN-JARXHUJSSA-N 358.485 1.317 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1nnc(C2CC2)s1 3434280 JWFJAMKVRMTKSV-UHFFFAOYSA-N 370.431 1.862 0 40 FDAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)N1CCNC1=O 13295871 WEDWADZCQKQFSA-UHFFFAOYSA-N 372.385 1.599 0 40 FDAB Cc1cc(N2CCC(c3nncn3C)CC2)n2nc(C(F)(F)F)nc2n1 71844440 VOAOLUQTOVWKCX-UHFFFAOYSA-N 366.351 1.964 0 40 FDAB O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2cccs2)C1 6083929 UOKYCZMFRCDHKU-VXGBXAGGSA-N 365.498 1.105 0 40 FDAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 14097588 KRQOSGDZIBOOLY-UHFFFAOYSA-N 368.436 1.380 0 40 FDAB C[C@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(SCC(N)=O)n1-3 5477796 USQWHUOZHRRGCG-ZETCQYMHSA-N 373.467 1.907 0 40 FDAB O=C(NCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5515510 NVZKZKYPLBMRCD-GDNBJRDFSA-N 354.362 1.295 0 40 FDAB biogenic CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccncc2)c(=O)[nH]c1=O 14670040 HOSJRCOPYQASJL-UHFFFAOYSA-N 359.430 1.617 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccco1)[C@@H]1C(=O)c3ccccc3C1=N2 6816892 GLEJBHUUHOMJAH-KBPBESRZSA-N 361.357 1.756 0 40 FDAB COCc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cccnc2)no1 96000619 IEGBSIKIARMHSE-ZDUSSCGKSA-N 352.416 1.917 0 40 FDAB Cc1nn(CC(=O)NCCC2=CCCCC2)c(C)c1S(=O)(=O)N(C)C 8187734 CMBAHOVRFMZYSJ-UHFFFAOYSA-N 368.503 1.757 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H](C)O1 8490254 ZNGULTRPLVLVQC-QWRGUYRKSA-N 360.863 1.840 0 40 FDAB CS(=O)(=O)c1ccc2nnn(OCCOc3ccccc3Cl)c2c1 9503138 BKAUGUOEOHJZOP-UHFFFAOYSA-N 367.814 1.996 0 40 FDAB Cn1c(N)c(C(=O)COc2c(Cl)cccc2Cl)c(=O)n(C)c1=O 9513676 YOYHOZZDQFVKKD-UHFFFAOYSA-N 358.181 1.235 0 40 FDAB CC(C)Oc1ccc(C(=O)N(C)C)cc1NC(=O)c1nccnc1C(=O)O 72400436 LTDJZIZLUHZCAE-UHFFFAOYSA-N 372.381 1.916 0 40 FDAB CC(C)c1nnc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)s1 84631301 ALXZYESJJOZZJJ-INIZCTEOSA-N 359.411 1.968 0 40 FDAB C[C@@H]1CCCC[C@@H]1OCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 84692120 RVFOMDQDZRPKLS-CJNGLKHVSA-N 360.410 1.828 0 40 FDAB Cc1noc(CNC(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n1 66204930 KICFGDLDJDJWBO-UHFFFAOYSA-N 361.377 1.493 0 40 FDAB COc1ccsc1S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 95943747 HRRNXXPRIYXGAZ-CYBMUJFWSA-N 351.446 1.128 0 40 FDAB CC(C)C(=O)NCCCNC(=O)CCCNC(=O)NC1CCCCC1 89775686 UUFYAYMWDMJNTE-UHFFFAOYSA-N 354.495 1.677 0 40 FDAB Cc1ccncc1S(=O)(=O)NC(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 408494590 DPHGLIIKHYRZLI-PKZYVASSSA-N 364.345 1.551 0 40 FDAB CCC[C@H]1N=c2s/c(=C/c3ccco3)c(=O)n2C(C)=C1C(=O)OCC 408732436 RJLYPPFXOIWQSP-PCRWRXJSSA-N 360.435 1.928 0 40 FDAB CN(C)C(=O)N1CCC(c2nnc3ccc(-c4cnn(C)c4)nn23)CC1 306124039 BDZLCXUTQAHFBC-UHFFFAOYSA-N 354.418 1.386 0 40 FDAB Cc1cc(=O)c(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cn1C 524732708 LRKGMUSSUJLGJZ-CQSZACIVSA-N 367.409 1.479 0 40 FDAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1OC 72227675 GKHIIJWFRSSHBW-ROUUACIJSA-N 356.378 1.890 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 30918267 YOLFQGCNUCKDHU-GFCCVEGCSA-N 354.428 1.473 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(C(CO)CO)C2)n1 72363677 CGYJAMNCULZUCE-AWEZNQCLSA-N 358.446 1.160 0 40 FDAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cn1 225924192 YPFAQGWUEWBLLW-UHFFFAOYSA-N 363.439 1.927 0 40 FDAB CNC(=O)c1nn(CC(=O)N(C)C2CCCCC2)c(=O)c2ccccc12 40047167 DDSIHZIYSBYASL-UHFFFAOYSA-N 356.426 1.547 0 40 FDAB O=C1c2ccccc2C(=O)N1CCC(=O)N1CCNC[C@@H]1c1ccncc1 571753938 WXEYTWKRGMUBEV-QGZVFWFLSA-N 364.405 1.241 0 40 FDAB O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2O)CC1 77100338 NSLJPDNHACHBNX-UHFFFAOYSA-N 368.372 1.469 0 40 FDAB Cc1n[nH]c(SCCNC(=O)c2cnc3sc(C)c(C)n3c2=O)n1 223037166 NUBOGQWQPNYPDR-UHFFFAOYSA-N 364.456 1.321 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 80336669 ZHMRBBKJJFWTAU-OXJNMPFZSA-N 359.470 1.666 0 40 FDAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)c3ccsc3)CC2)C1 96240051 LCRYKRFNVWWSMS-UHFFFAOYSA-N 358.485 1.262 0 40 FDAB Cc1nc(CN2CCOC[C@]3(CN(Cc4ccccn4)CCO3)C2)cs1 96049823 LLQGPHFZGQPSHP-LJQANCHMSA-N 374.510 1.950 0 40 FDAB O=C(C1CCC1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96144863 IIDLPEQCQYXMCM-INIZCTEOSA-N 372.469 1.522 0 40 FDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)C1=CCCCC1)CC2 96216634 VJXCRDPSCVXGBX-OAHLLOKOSA-N 356.488 1.434 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 96108877 BNSJRZJXKKDQLQ-VQIMIIECSA-N 354.410 1.485 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(CCN(C)C)C2 96055942 ZGPWDRLMSQJJGI-FPOVZHCZSA-N 374.529 1.720 0 40 FDAB CCc1ccnc(CNC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)c1 584584082 WKQRCQKXWQWLAZ-OAHLLOKOSA-N 355.442 1.469 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 247847241 FBLLSGFZTOAHFL-XGHMHFBMSA-N 370.449 1.925 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)s1 257243897 IJARBVICFASWPF-HNNXBMFYSA-N 358.467 1.572 0 40 FDAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)Cn1cccn1 257213084 CGCXVNSODXSMOW-GUDVDZBRSA-N 352.438 1.746 0 40 FDAB Nc1nc(N)c2ncn([C@@H]3CCC[C@@H](NCc4ccccc4)[C@H]3O)c2n1 257212761 CEVVKXGBNRAMBT-UMVBOHGHSA-N 353.430 1.235 0 40 FDAB CCc1nn(C)cc1NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C 271410430 YDUZZRXCSZCBBA-UHFFFAOYSA-N 371.484 1.804 0 40 FDAB Cc1noc(C(C)(C)NC(=O)Nc2ccc(N3CCOCC3)nc2C)n1 285892326 JGPVIZDTSZATIK-UHFFFAOYSA-N 360.418 1.975 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2ccc3cncn3c2)[C@@H]1c1cncn1C 1775958973 PIKYIJOVBUHGBM-KBXCAEBGSA-N 352.442 1.881 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)O)C(F)(F)C2)c1C 289677868 LEEJAKRUQRWIKQ-SNVBAGLBSA-N 351.375 1.250 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 655600342 CYWIAEIGLLMEQB-JYJNAYRXSA-N 368.389 1.768 0 40 FDAB COc1ccc(CN2CCN(C(=O)C3(S(C)(=O)=O)CC3)CC2)cc1F 684253176 JTBJXEQPDFUZQL-UHFFFAOYSA-N 370.446 1.056 0 40 FDAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575425993 KDKLNUWESCSIQQ-QWHCGFSZSA-N 361.485 1.672 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)c3cccs3)C[C@H]12 585108977 JRZYTLAMVSWCML-QWHCGFSZSA-N 356.407 1.286 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 585108415 IIQGRXLKCVUYBA-VQIMIIECSA-N 361.417 1.440 0 40 FDAB C[C@@H](SCCO)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33045854 JPVVJZJNOJIDMF-CYBMUJFWSA-N 372.512 1.914 0 40 FDAB NC(=O)C1(CNC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)CCOCC1 57011281 KIZKCLBKVJMZGU-SNVBAGLBSA-N 371.846 1.293 0 40 FDAB Cc1cccc(OC[C@H](O)CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1 84211197 AXVIMSSTXFRIPF-CQSZACIVSA-N 355.394 1.345 0 40 FDAB Cn1cc(N2CCN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)cn1 74846498 RVZCEEONCCMPPG-UHFFFAOYSA-N 366.429 1.033 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1ccsc1 1548925278 MYCDQOFRSULJJM-RCCFBDPRSA-N 356.451 1.925 0 40 FDAB Cc1c(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cnn1C 1615155293 GZAMPQKUDREFBJ-HXUWFJFHSA-N 368.437 1.767 0 40 FDAB C[C@@H]1[C@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 5663366 IGKWESNBSFVVHE-FGQQSIPMSA-N 354.487 1.053 0 40 FDAB COc1ccccc1NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O 5824038 ZXVIFYTUOVPUQV-MQNRADLISA-N 358.375 1.331 0 40 FDAB NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 5949343 HUBNETMUUPYXBP-CQSZACIVSA-N 365.411 1.020 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(N)c1=O 5994699 YBHQYUFUINIOEO-UHFFFAOYSA-N 360.226 1.698 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ncc(C)s2)c1 11367488 YQFIKLPVIWUYSG-UHFFFAOYSA-N 367.452 1.961 0 40 FDAB Cc1ccc(Oc2cc(N3CCN(S(C)(=O)=O)CC3)nc(C)n2)cc1 12225114 WTFVFOTUCJDWIQ-UHFFFAOYSA-N 362.455 1.967 0 40 FDAB CN1C[C@@H](C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)CC1=O 12292006 KDOPECOFYCDSHW-STQMWFEESA-N 355.398 1.316 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 12983776 ARRIFFPYILCKHD-MRXNPFEDSA-N 370.471 1.108 0 40 FDAB CN1CCN(c2cc(C(=O)NC(C)(C)CN3CCCCC3)ccn2)CC1 19662589 CFGQTLVRCKVZJL-UHFFFAOYSA-N 359.518 1.828 0 40 FDAB CC(=O)N[C@H]1CN(Cc2cccnc2N(C)C)C2(CCN(C(C)=O)CC2)C1 19704120 GQOILDFBEAQIIZ-GOSISDBHSA-N 373.501 1.239 0 40 FDAB CCn1nc(C)c(CCC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1C 643585445 LEICBALMLNNRGG-KYJSFNMBSA-N 353.463 1.245 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)CN1CCCCCC1=O)c1ccccc1 5781807 POKDQBCYBKYLQO-MRXNPFEDSA-N 361.398 1.129 0 40 FDAB CN(CC1CN(c2ncc(Br)cn2)C1)S(=O)(=O)C1CC1 1888850321 OXNHZUZYGMQOIW-UHFFFAOYSA-N 361.265 1.099 0 40 FDAB O=C(NC1CC1)[C@@H]1CN(c2ncc(Cl)cc2Br)CCO1 1888906493 RSIQVSGRIKJWLM-NSHDSACASA-N 360.639 1.981 0 40 FDAB CCN=c1ccnc(N2CCN(c3nc(C)nc4cnccc34)CC2)[nH]1 1889152058 KDWDWENHILNECC-UHFFFAOYSA-N 350.430 1.304 0 40 FDAB Cc1ccccc1CC(=O)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 1848354332 SVIZDAXMYGBFIN-ROUUACIJSA-N 358.438 1.155 0 40 FDAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(CCn4nccn4)[C@@H]3C2)c1 2087122275 QBOJUMRIKDFXCH-GXTWGEPZSA-N 352.364 1.903 0 40 FDAB Cn1cncc1CN1CC[C@H]2[C@H](CC(=O)NCc3ccccc3)OC[C@H]2C1 1565550848 GPPLDZLNFNNGHA-RLLQIKCJSA-N 368.481 1.964 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)[C@]1(C)CC=CCC1)OC2 1565548225 VIESUZOYKLZAFO-ORAYPTAESA-N 360.458 1.853 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)c(OC)c1 9317622 RYMCZRNTSJLEQG-ZDUSSCGKSA-N 357.428 1.668 0 40 FDAB COCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 9936178 YBLZTWLNBTVFFG-UHFFFAOYSA-N 367.405 1.309 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCCc1ccccc1)N1CCCC1 11898287 XGIQKPNAJXCMTL-LJQANCHMSA-N 368.481 1.637 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1cccnc1 12440019 ZFGYMQYCJHNTJS-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1 2055837520 YKGDVYJLTPRGAO-FZKQIMNGSA-N 353.382 1.595 0 40 FDAB O=C(CN1CCO[C@@H](C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1 2086867354 NMFFBVIYVGBJJL-OAHLLOKOSA-N 367.446 1.040 0 40 FDAB COc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1 549073544 IWRGYACWLDRXKU-UHFFFAOYSA-N 367.471 1.134 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Cn1cnc3ccccc31)C2 618256699 KUQGBHHETTZLMV-AWEZNQCLSA-N 350.426 1.566 0 40 FDAB COC[C@](O)(CNS(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 575605772 DGQFPOSIUKEQMD-QGZVFWFLSA-N 369.414 1.647 0 40 FDAB O=C(NCCO)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305655 OKUJFQWQZRRDJV-HNNXBMFYSA-N 359.451 1.077 0 40 FDAB CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 248099515 ZVDLSJPOZVWMBQ-SUJAAXHWSA-N 369.506 1.508 0 40 FDAB biogenic O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)N[C@H]1CCS(=O)(=O)C1 32089508 INUMCPYVVCHUTO-HNNXBMFYSA-N 374.422 1.643 0 40 FDAB CC(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(C(C)=O)CC3)c[nH]c2c1 32093234 IOICKPIWPTVPBQ-KRWDZBQOSA-N 358.398 1.416 0 40 FDAB COCCN(CCOC)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 20900117 KGFXGZFZSSCOGY-UHFFFAOYSA-N 370.471 1.134 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804139 NEFUFVXBAKBPIJ-OAHLLOKOSA-N 355.482 1.950 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)O)CC1)O[C@H](C)C(=O)N2 32918068 LYNHWVDKOHCFHE-SNVBAGLBSA-N 368.411 1.200 0 40 FDAB COc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)c(OC)c1 932217 JHDNBPFAOZWFBG-UHFFFAOYSA-N 351.432 1.686 0 40 FDAB COC(=O)C(=O)[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)OC 1620621 OLOMZBJQFUNFBA-QMMMGPOBSA-N 362.165 1.853 0 40 FDAB CC(C)Oc1ccc(CO[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093787 GHCMMBAHVMTGNP-ZBRFXRBCSA-N 368.426 1.589 0 40 FDAB COc1ccc(N([C@H](C)C(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 6307127 MQYZFIADIVZHME-CQSZACIVSA-N 372.487 1.781 0 40 FDAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 6946376 XEJCXYPCMPIVGQ-LBPRGKRZSA-N 358.460 1.775 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cnn(C)c3)n2)c(F)c1 61718371 VWLHNCSMOYGAQM-UHFFFAOYSA-N 357.345 1.430 0 40 FDAB O=C(O)C1=C[C@H](c2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 102277062 CPTXAUUMPVTVAB-GFCCVEGCSA-N 354.366 1.132 0 40 FDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58203231 LECMFUAKQKRUHW-GHMZBOCLSA-N 363.451 1.932 0 40 FDAB COc1ccc(CCNC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1OC 12773209 MXDHTOCMGLMQLE-UHFFFAOYSA-N 363.414 1.083 0 40 FDAB COc1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)c1 36548220 CCOUWMFEJPMSFF-FZKQIMNGSA-N 353.422 1.853 0 40 FDAB CCN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(OC)c(F)c1 28726966 DBJXLZWTKIBXBT-AWEZNQCLSA-N 372.462 1.302 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccccn2)C1=O 11710122 JJDHBUUEFNXSAY-QGZVFWFLSA-N 356.407 1.672 0 40 FDAB CSc1ccc(CN(C)[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12807067 YQLOGBCPLWTVLG-GXTWGEPZSA-N 356.513 1.532 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc2n(c1=O)CCS2 12876303 PBXUVFPKRPAXIQ-ZDUSSCGKSA-N 360.439 1.509 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1noc2ccccc12 12896758 KBRPWYJJJIORJC-UHFFFAOYSA-N 373.434 1.736 0 40 FDAB CN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H]1CCCc2ccccc21 23056985 KLXCXDIPXINEHK-INIZCTEOSA-N 351.410 1.666 0 40 FDAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCNC(=O)C1 12909918 FWOHGMNQOVJTLL-FQEVSTJZSA-N 367.449 1.482 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3ccccc3)n2)cc1 12903997 WGXLVDVUFBHPJX-UHFFFAOYSA-N 373.438 1.669 0 40 FDAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)ccc1C 12912212 WKFKZUCXIWANBS-AWEZNQCLSA-N 368.455 1.461 0 40 FDAB CCc1ncc(C(=O)NS(=O)(=O)c2ccc(OC)c(OC)c2)s1 65041920 UAHBNVOFXZCBPK-UHFFFAOYSA-N 356.425 1.841 0 40 FDAB CC(C)n1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1 14171827 UJVHONVLAYUYTR-UHFFFAOYSA-N 360.487 1.691 0 40 FDAB NC(=O)Cc1csc(NC(=O)CCCn2c(=O)oc3ccccc32)n1 14118589 FIYJTWMYKGTPMO-UHFFFAOYSA-N 360.395 1.498 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 5483662 NTKLXEKQGUTLMR-UHFFFAOYSA-N 372.410 1.165 0 40 FDAB Cc1cnc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cn1 6786727 HERXVRVYOAKBSX-UHFFFAOYSA-N 354.819 1.941 0 40 FDAB CCCn1c(O)nnc1SCCN1C(=O)CS/C1=C\C(=O)OCC 7364783 SIQBVOOYQKDKDT-FLIBITNWSA-N 372.472 1.466 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Oc2ccc(C(=O)OC)cc2)CC1 7813876 LXTPKVLNQSNODU-UHFFFAOYSA-N 355.412 1.440 0 40 FDAB CCN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1cccc(OC)c1 7903100 HHWCDWGDIRVMEC-UHFFFAOYSA-N 364.446 1.580 0 40 FDAB Cc1ccn2c(=O)cc(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)nc2c1 9366123 KUTZSNCLLDQKDG-MRXNPFEDSA-N 362.389 1.666 0 40 FDAB NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 69414358 XAABDCHRDYOQTO-WBVHZDCISA-N 361.442 1.907 0 40 FDAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc21 97002078 LVQCNUSKCJCKBT-UHFFFAOYSA-N 374.466 1.607 0 40 FDAB COc1ccc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cn1 95473817 FZOVSZZSSNUTKP-UHFFFAOYSA-N 370.365 1.456 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1)CCO2 306140001 UGNUDLLYRCHRQG-LJQANCHMSA-N 355.394 1.361 0 40 FDAB COc1ccc(CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1OC 89621394 PFYFILOYLVTWNJ-HNNXBMFYSA-N 372.487 1.326 0 40 FDAB CC(C)CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965107 HFWQRPXQQZUDAY-UHFFFAOYSA-N 370.471 1.776 0 40 FDAB COCCN1C[C@@H](COC)C2(CCN(c3cc(C)nc4ncnn34)CC2)C1 306131163 JXYWAVGNAGJRNP-INIZCTEOSA-N 374.489 1.244 0 40 FDAB CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)NCc2ccccc2F)C1 509802287 GCNPCWKFUKMRMI-AWEZNQCLSA-N 374.420 1.319 0 40 FDAB CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 33131314 LDJCRMDYFNFOGF-UHFFFAOYSA-N 360.863 1.891 0 40 FDAB Cc1nc2cc(-c3nccn3C)nn2c(NCCCN2CCOCC2)c1C 72338508 MOAZHVLSKFSODF-UHFFFAOYSA-N 369.473 1.881 0 40 FDAB COc1cc([C@]2(C)OC[C@@H](CN3CCOCC3)O2)cc(OC)c1OC 33852242 ZIOBPMQEBOCFLH-RDTXWAMCSA-N 353.415 1.633 0 40 FDAB in-man COc1cccc([C@@H](CNS(=O)(=O)c2c(C)noc2C)N(C)C)c1 47032916 RWBYSXNUDIJUDT-OAHLLOKOSA-N 353.444 1.881 0 40 FDAB COc1ccc(Cl)cc1C(=O)NCc1ccnc(N2CCOCC2)n1 224217512 RMLKGXIWTLVYKO-UHFFFAOYSA-N 362.817 1.905 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)Nc3cccs3)cc2)c1=O 75163220 AAMZRTZIPYVCSA-UHFFFAOYSA-N 360.399 1.781 0 40 FDAB Cc1csc(NC(=O)C[S@@](=O)CC(=O)c2cc(C)n(C)c2C)n1 572016939 MOFBXZVXPPKXQG-QHCPKHFHSA-N 353.469 1.977 0 40 FDAB CS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(F)c(F)c3)sc2C1 77099824 WIZMRJXWMVFWFO-UHFFFAOYSA-N 373.406 1.991 0 40 FDAB CCc1sc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)nc1C(=O)OC 95477300 GWNFPBNVSSYVNI-CYBMUJFWSA-N 372.410 1.707 0 40 FDAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccn(C)n3)N=C2O)cc1 95474872 HCPFGIJBNJJUPJ-ZDUSSCGKSA-N 357.370 1.082 0 40 FDAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)c1 96159819 XZDABUUPMWWCAM-UZLBHIALSA-N 358.438 1.683 0 40 FDAB Cc1cc(C(=O)N2CCc3nnc(COc4cncnc4)n3CC2)c(C)o1 96084596 ZSSLYZCIRLUQCR-UHFFFAOYSA-N 368.397 1.555 0 40 FDAB O=C(Cc1ccccn1)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 96216777 NSHBPSRFEYJPRB-INIZCTEOSA-N 353.426 1.836 0 40 FDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)Cc2cccs2)CC3)cn1 96069747 ULKFXRJVSKZJCH-OAHLLOKOSA-N 358.467 1.689 0 40 FDAB CCN(Cc1nc(=O)n(C)[nH]1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 332117754 HPELCHMKICUGQO-UHFFFAOYSA-N 373.505 1.821 0 40 FDAB CN(C)S(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 96044963 MRTIHTDNWFVKNK-CQSZACIVSA-N 356.492 1.333 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)CC1 96071963 BGOOCQARDGKFAX-PXNSSMCTSA-N 357.454 1.992 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1nccn1C)C2 96230451 DBBLZNSBVMYUQJ-FQEVSTJZSA-N 367.453 1.260 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)O)cc1 242437467 CBBVZULXJKEVAY-NUJGCVRESA-N 361.419 1.725 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)no1 247904776 JLTTWZBSIKUZAD-OAHLLOKOSA-N 351.472 1.682 0 40 FDAB O=S1(=O)CC[C@@H](COCc2ccncc2)C12CN(Cc1cccnc1)C2 247333865 PWQNPMSMTOQUND-SFHVURJKSA-N 373.478 1.683 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@@H]1c1nccc(CNC(C)=O)n1 257244004 IJLVVOAWTIFAEV-OAHLLOKOSA-N 355.398 1.494 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@H](O)C=C4[C@@H](C2)N(C)CC[C@]431 253504750 LQIKGKFOKAXCRM-PHHSVIQHSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc2c(c1)CCCC2 257325167 WRTCBHFZHJHUDF-VAMGGRTRSA-N 358.482 1.909 0 40 FDAB Nc1cc(CC[C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)ccn1 257251008 JOZQXVBXCMVGQY-CQSZACIVSA-N 352.398 1.180 0 40 FDAB COc1cc(N2CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)CC2)ccc1F 283157627 CJCDAWJJMLCMIR-LBPRGKRZSA-N 373.450 1.099 0 40 FDAB CN1CCN(C(=O)c2cccc(CNc3ccncn3)c2)C[C@@]12CCOC2 1615588276 ATQMDTOIMKGNFR-HXUWFJFHSA-N 367.453 1.635 0 40 FDAB CCn1cnc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)ncnc21 645270747 KPAONTNKPHVOJC-BBRMVZONSA-N 351.414 1.873 0 40 FDAB C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C[C@@H]1C(=O)O 659064596 OFNXWWLUSKFQLB-YGRLFVJLSA-N 357.366 1.036 0 40 FDAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1 659204396 PXIRVSVYPQSEAZ-CHWSQXEVSA-N 364.446 1.926 0 40 FDAB Cn1nnc2c(N3CCN(Cc4ccc(F)cc4Cl)CC3)ncnc21 663386530 CYQPZJGWBYYRDR-UHFFFAOYSA-N 361.812 1.873 0 40 FDAB O=C(O)[C@H]1CN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCO1 666520042 FEUTWSFTSWCIIK-GFCCVEGCSA-N 362.304 1.579 0 40 FDAB CC(C)[C@H](NC(=O)c1nn(C[C@H]2CCC[C@@H](O)C2)c2ccccc12)C(N)=O 299817176 JPYMZGZGKXHPPL-VBQJREDUSA-N 372.469 1.827 0 40 FDAB in-vitro Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 96025847 JAMKTOUBYKSXGT-UHFFFAOYSA-N 363.487 1.627 0 40 FDAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cnccn3)CC2)cc1 96376122 KJCSFJNYQYCSKI-UHFFFAOYSA-N 361.423 1.564 0 40 FDAB COc1cccc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 30351523 MXQYHPLEOYGLHH-UHFFFAOYSA-N 365.455 1.807 0 40 FDAB CN(C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1)S(C)(=O)=O 78716826 AQQLVTLHHBKXCS-UHFFFAOYSA-N 361.414 1.259 0 40 FDAB CC(C)[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c1)C(=O)O 5633372 YYGUVTUKLKBQCN-OKILXGFUSA-N 364.398 1.365 0 40 FDAB CN1[C@@H](C(=O)NCc2ccco2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12159457 RIWJBOZENWRNJN-LSDHHAIUSA-N 367.402 1.315 0 40 FDAB C[C@H]1CCCN(C(=O)CN2CCC(n3nnc4ccccc4c3=O)CC2)C1 12145969 BKEVKHHQPAGLFF-HNNXBMFYSA-N 369.469 1.687 0 40 FDAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1 16976163 FACYNSWECIPGGS-UHFFFAOYSA-N 367.402 1.348 0 40 FDAB Cc1cc(NC(=O)COc2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011551 XWSWPFBYBGCJHV-CYBMUJFWSA-N 367.402 1.708 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 19021486 XLJCDOZHSVTLPJ-AWEZNQCLSA-N 372.473 1.715 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496056 CHTPIMHENCHKKT-HUUCEWRRSA-N 373.501 1.518 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)no3)CC2)C1=O 19659474 OQQFINOBCVNDQB-UHFFFAOYSA-N 372.356 1.637 0 40 FDAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 155072785 QHYYFNHUSLHQBJ-XYPHTWIQSA-N 358.438 1.957 0 40 FDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)c1F 575413845 CZFHYKSJQULKNP-LLVKDONJSA-N 361.377 1.451 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 1888888366 FJWZNJNIQQLGEP-UHFFFAOYSA-N 370.486 1.888 0 40 FDAB O=C(c1ccccn1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888896964 MQCVBPPIKJVYQU-ZDUSSCGKSA-N 364.409 1.938 0 40 FDAB O=C(O)[C@H]1CCCN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)C1 572757824 WPUNPRLUUJWZLE-ZDUSSCGKSA-N 362.398 1.795 0 40 FDAB Cc1nc2ncnn2c(N2CCN(Cc3ccncc3F)[C@@H](C)C2)c1C 2086967244 CAEXGWMLOSFFPQ-LBPRGKRZSA-N 355.421 1.986 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc(OC)cc3OC)ncnc21 13532138 RQMVJMPKWARYKK-UHFFFAOYSA-N 374.426 1.989 0 40 FDAB Cc1cc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)n[nH]1 2055745842 HMOMMMYSAKYASM-UHFFFAOYSA-N 360.487 1.900 0 40 FDAB O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1-c1ncn[nH]1 32075022 DMLSDXRMRNZIJF-UHFFFAOYSA-N 364.756 1.867 0 40 FDAB Cc1nc(-c2ccccc2NC(=O)CCn2ccc(=O)[nH]c2=O)cs1 208008659 PDOHWRNERXJSTB-UHFFFAOYSA-N 356.407 1.997 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)CC1 225718511 JGXRAVHELPENNS-AWEZNQCLSA-N 365.455 1.880 0 40 FDAB O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(Br)o1 65225000 QTJFHZICBWCELN-UHFFFAOYSA-N 353.176 1.921 0 40 FDAB CSCc1ccc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 40153295 KFVBUOWGLMZCPC-CHWSQXEVSA-N 362.517 1.671 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 20737207 XNRRXXDKIHJWCF-OAHLLOKOSA-N 371.437 1.129 0 40 FDAB Cn1cc(Cl)cc1C(=O)NCCCN1CCN(c2ncccn2)CC1 32333857 CEISKSXCBPFYOT-UHFFFAOYSA-N 362.865 1.411 0 40 FDAB CN1C(=O)[C@H](NC(=O)C(=O)NCC2(N(C)C)CCCCC2)c2ccccc21 101685988 LHHOLJZCQFQTPX-MRXNPFEDSA-N 372.469 1.201 0 40 FDAB CC(=O)Nc1ccc(OC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 32722058 HCFVQHAQQHHSMX-UHFFFAOYSA-N 359.382 1.805 0 40 FDAB CNC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(N)=O 32777613 IROBRTMQPYUDHW-UHFFFAOYSA-N 362.455 1.280 0 40 FDAB O=C(CN1CCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 902121 PCYOBDVYBZDLGQ-UHFFFAOYSA-N 351.472 1.896 0 40 FDAB CCNC(=O)c1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1 76235951 TZRBMVNWPIAJSJ-UHFFFAOYSA-N 367.453 1.759 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(N)=O)cn1C 79068831 ZPQXCPIVHGVOGZ-OAHLLOKOSA-N 368.393 1.119 0 40 FDAB COc1ccc(OC)c(CC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 682264 KSTDRCOZZMYVPC-UHFFFAOYSA-N 355.350 1.415 0 40 FDAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 6714785 KUUWFNGPAWIKMU-NONVJHHQSA-N 356.422 1.867 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cnn1C 2732356 UENVBNFFWORAIK-CQSZACIVSA-N 356.492 1.292 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc2ccccc2c1 25032604 ZAIVROJTGFFSBM-INIZCTEOSA-N 356.378 1.109 0 40 FDAB CCC1CCC(C(=O)N[C@H](C(=O)NCCN2CCOCC2)C(C)C)CC1 19938190 QSDJFTQOLWZUAO-ABHNRTSZSA-N 367.534 1.792 0 40 FDAB Cc1ccnc2nc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)nn12 56468121 FZHXAXHISWLBFV-UHFFFAOYSA-N 370.438 1.529 0 40 FDAB Cc1cccc(CN2CC[C@@H]3OCCN(C(=O)c4cccnc4)[C@H]3C2)n1 108530492 ASTVSQYZOVKTLD-OALUTQOASA-N 352.438 1.901 0 40 FDAB NC(=O)CN1CCC(NC(=O)c2cccnc2SC(F)(F)F)CC1 58210882 JBKPIXDTXOFDNL-UHFFFAOYSA-N 362.377 1.373 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1 27977125 HPIWQNZTFXQKPT-OAHLLOKOSA-N 361.467 1.725 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCC(F)(F)F)c1 45126834 JIYQQZZJNHVOOP-UHFFFAOYSA-N 353.366 1.735 0 40 FDAB CCNC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 11496641 BWQPIZFIWSQTOC-UHFFFAOYSA-N 354.815 1.964 0 40 FDAB Cc1noc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 36833449 ZTTPOTHHRCZEKN-UHFFFAOYSA-N 368.323 1.157 0 40 FDAB O=C(CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)OCc1ccccc1 29759598 RZXMQLROYKVZNQ-MRXNPFEDSA-N 354.410 1.553 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NC1CCCCC1 48356508 CPBOFZCXKXJZDA-BPUTZDHNSA-N 365.474 1.951 0 40 FDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Br 12890873 PFXTWSNNLQDMSQ-VIFPVBQESA-N 352.188 1.177 0 40 FDAB CN(C)C(=O)CN(CC(=O)NC(=O)NC1CCCCC1)CC(F)(F)F 62580800 YLRWNLGTHJEVTQ-UHFFFAOYSA-N 366.384 1.097 0 40 FDAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 13000875 JYOCRMKVXWZCOF-HNNXBMFYSA-N 350.371 1.528 0 40 FDAB C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 14187346 SWXCQUHFMXTVCG-CHWSQXEVSA-N 351.472 1.201 0 40 FDAB O=C(Cn1nnc2ccccc21)OCC(=O)N1CCc2ccccc2C1 6653380 MXWLSUSLRVKBJU-UHFFFAOYSA-N 350.378 1.559 0 40 FDAB Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1S(=O)(=O)N(C)C 6653190 WZSYDPMFCBAOCO-UHFFFAOYSA-N 364.471 1.109 0 40 FDAB CC(C)[C@@H](C(=O)Nc1cnc2c(c1)CCCC2)N1CCCS1(=O)=O 96007852 XHVYUWQVLYLZEB-INIZCTEOSA-N 351.472 1.959 0 40 FDAB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C1C(=O)NC(=S)NC1=O 9332381 WULPNIUGVDALBI-SECBINFHSA-N 369.446 1.912 0 40 FDAB CC/C(NN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9348882 BEJYEWDFAQQQET-FYWRMAATSA-N 358.398 1.079 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CNS(=O)(=O)C2CC2)C1 306138851 SJJFZRHJGYCFGH-AWEZNQCLSA-N 365.459 1.127 0 40 FDAB C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO 21986133 GBDXNHBVYAMODG-UTPMATGTSA-N 372.461 1.964 0 40 FDAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(S(C)(=O)=O)CC4)c23)C1 16738353 HIKBCEIGEALUKW-LLVKDONJSA-N 366.512 1.898 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)OC)ccc1C 8394196 QQJZZEDXTUKZBZ-LBPRGKRZSA-N 356.444 1.317 0 40 FDAB Cc1cccc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)c1 306123589 AQXKUTMOJHRLEU-HOTGVXAUSA-N 351.454 1.783 0 40 FDAB CSCC[C@@H]1NC(=O)N(Cc2ccc(S(C)(=O)=O)c(C)c2)C1=O 97232268 AXJIERRBQXORIQ-LBPRGKRZSA-N 356.469 1.572 0 40 FDAB NC(=O)c1cc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)[nH]n1 84514972 MABAHASTGBBHAE-UHFFFAOYSA-N 354.345 1.574 0 40 FDAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(C)=O 408589860 FWXGTQHZNQDDBU-UHFFFAOYSA-N 352.416 1.219 0 40 FDAB CCC[C@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CCN1CCOC 95452150 KXVSSOQUTKQZQA-INIZCTEOSA-N 359.474 1.784 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 95469433 DGXSHVCFBVVTFL-CQSZACIVSA-N 365.411 1.733 0 40 FDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCC[C@@H]3CCC[C@@H]3O)c(C)c12 89499582 PMMSVVPKEKXRBV-HOCLYGCPSA-N 374.485 1.868 0 40 FDAB Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 75105864 SYCDQSNLKZFMON-UHFFFAOYSA-N 362.333 1.690 0 40 FDAB c1cnc(O[C@@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn3C2)nc1 306124479 BQTHIVFGAXJFHW-MRXNPFEDSA-N 365.393 1.865 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccc(F)cc2)C1 22531782 CNCSYOLFSZHDFT-HNNXBMFYSA-N 371.478 1.393 0 40 FDAB O=C(c1ccc2nnc(O)n2c1)N1CCO[C@H](c2ccc(F)cc2F)C1 548642099 ZGEDIGBFCHUCJO-AWEZNQCLSA-N 360.320 1.927 0 40 FDAB COC(=O)c1cn(NC(=O)c2cc(O)c3ccoc3c2)cc2c(O)nnc1-2 524735771 XXUOTSRDBXQRNY-UHFFFAOYSA-N 368.305 1.711 0 40 FDAB Cc1nnc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 39427667 JSKDPHFCZBFOSU-UHFFFAOYSA-N 358.470 1.615 0 40 FDAB O=C1CN(C(=O)CCC(=O)Nc2nc3c(s2)CCCCC3)CCN1 40267919 JQDBIPHRLDLBPD-UHFFFAOYSA-N 350.444 1.089 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@@H](O)c3ccccc3)n2)no1 40284266 ZSDHVUOHSRXBFJ-GFCCVEGCSA-N 371.353 1.011 0 40 FDAB COc1ccccc1Cc1noc(C2CN(C(=O)c3cn(C)nn3)C2)n1 75156526 POTJOQZAOGOCOX-UHFFFAOYSA-N 354.370 1.037 0 40 FDAB CCn1c(=O)n(CC(=O)NCCCn2nc(C)cc2C)c2ccccc21 40017300 VTLCCPYOTOBCRH-UHFFFAOYSA-N 355.442 1.843 0 40 FDAB O=S(=O)(NCC1(O)Cc2ccccc2C1)c1ccc(-n2cccn2)cc1 225716826 SCSUJOKZMCKBKK-UHFFFAOYSA-N 369.446 1.681 0 40 FDAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cc1C(=O)O 226856689 BINCRDDTRGQGLE-UHFFFAOYSA-N 365.363 1.917 0 40 FDAB CCn1nnc2c(N3CC(C(=O)NCc4ccc(Cl)cc4)C3)ncnc21 96096779 JSDRFNAMVGTLMP-UHFFFAOYSA-N 371.832 1.647 0 40 FDAB COCCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C 96037574 QDMMIZKRXVDGFF-UHFFFAOYSA-N 359.430 1.085 0 40 FDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)cc1 583616237 YXPBMJNNDNVRRW-FXAWDEMLSA-N 356.422 1.906 0 40 FDAB CN1CCN(C[C@@H]2CC[C@@]3(COCCN(Cc4ccccc4)C3)O2)CC1 96160305 FPIFWDXHACCGHB-LEWJYISDSA-N 359.514 1.684 0 40 FDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@H](Cc3ccncn3)C2)n1 257271256 MXOJQTXBORPHAN-QGZVFWFLSA-N 357.458 1.788 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2ccc(-c3cnc4ncccn34)cn2)C1 257335894 YMIXEHMWPFDHHZ-AWEZNQCLSA-N 357.439 1.930 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260800675 UMPYEIQHMXILSF-XEZPLFJOSA-N 352.456 1.621 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCc2cnc(C(F)(F)F)nc2)N1C1CC1 663228622 FGCZVHMMXYOHOE-QWRGUYRKSA-N 358.320 1.192 0 40 FDAB COc1cc(-c2nc(CN3CC[C@H](O)[C@@H](O)C3)c(C)o2)cc2c1OCO2 71754580 SINLBFGUEVHZNX-KBPBESRZSA-N 362.382 1.315 0 40 FDAB COc1ccc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c(C)c1 96103914 LIMDEGKDWQKBDT-UHFFFAOYSA-N 373.438 1.636 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)cc1 96120704 FBCVWVICIZVOLA-CQSZACIVSA-N 360.457 1.665 0 40 FDAB Cc1cc(C(=O)N2CCn3c(COc4ccccn4)nnc3[C@@H]2C)no1 585097625 OCUDRYBWZDVJAH-LBPRGKRZSA-N 354.370 1.766 0 40 FDAB CN1[C@@H](C(=O)NCc2ccc(F)cc2)C[C@@H](c2ccco2)NS1(=O)=O 12159726 QWRRQYOAAYPYDO-UONOGXRCSA-N 367.402 1.315 0 40 FDAB CC(C)C[C@@H](NC(=O)CSc1nnc2[nH]c3ccccc3n12)C(=O)O 12554133 LJYGIOOLEHYLEO-LLVKDONJSA-N 361.427 1.918 0 40 FDAB Cc1cnn(CC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)c1 19239895 QCLIWOLNMBWTNY-UHFFFAOYSA-N 351.410 1.834 0 40 FDAB NC(=O)C1CCN(c2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)CC1 19403744 ZLEWMMGWGZGSFL-HNNXBMFYSA-N 354.414 1.487 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225398868 NGXLKONQECUFGS-CQSZACIVSA-N 359.430 1.760 0 40 FDAB Cc1ccc(C(=O)OCC(N)=O)cc1NC(=O)c1ccc2c(c1)OCCO2 9497853 YZXIDWPJWOZMKW-UHFFFAOYSA-N 370.361 1.661 0 40 FDAB C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)c1ccc(Br)cc1 4347938 ZTHHBZRIBQYULN-MRVPVSSYSA-N 353.172 1.830 0 40 FDAB Cn1nc2c(c1CN1C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C1)CCC2 1888856901 VWAMJNFWDABCPV-IRXDYDNUSA-N 364.449 1.526 0 40 FDAB Cn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1=O 13986963 DCHZOYOKTOTSHG-HNNXBMFYSA-N 355.394 1.919 0 40 FDAB O=C(CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1)N1CCCC1 2037873520 SJLJHESPOQJLOW-SLYNCCJLSA-N 371.481 1.313 0 40 FDAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226281 OKSLWSCFTICJMT-MJGOQNOKSA-N 374.416 1.225 0 40 FDAB Cn1cccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2cccnc2)c1=O 1565551230 NWOAGIUEMLQGPC-BZSNNMDCSA-N 369.421 1.369 0 40 FDAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1cccnc1 13521657 VWZPTCJRHHSCAD-UHFFFAOYSA-N 350.396 1.699 0 40 FDAB C[C@@H](C(=O)NCc1nnc2ccc(-c3cccs3)nn12)n1cccn1 225763507 VAGNKABVDKWSOM-NSHDSACASA-N 353.411 1.927 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)c1 575614111 WSRFKXXZEDFUOH-ZDUSSCGKSA-N 369.422 1.625 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 220167926 JZXBBZDWHKFQHZ-CYBMUJFWSA-N 370.409 1.623 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 36390128 VMWUJQWZJHTXCI-UHFFFAOYSA-N 351.472 1.676 0 40 FDAB CCc1ccsc1C(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 51383884 VYSGCTWQRIFVHM-UHFFFAOYSA-N 372.406 1.621 0 40 FDAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)Cc1cnn(C)c1 32540006 KWBHNTQMESIMAM-KRWDZBQOSA-N 355.486 1.585 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 32722575 FHSPIPCEEDNKSV-SJORKVTESA-N 350.374 1.207 0 40 FDAB CCCCOC(=O)Cc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 22133867 IIIZCRYSJWTHMM-KRWDZBQOSA-N 374.437 1.537 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@@H]1CCCN2CCCC[C@H]12 79192239 YYKQHSHWOBSLSD-PKOBYXMFSA-N 372.513 1.893 0 40 FDAB biogenic COc1ccc(OC)c(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)c1 4123481 GFZSSEIZWOGYSW-OAHLLOKOSA-N 359.382 1.670 0 40 FDAB CCOC(=O)CSCC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 22517533 SYQCAIVGGUPEJD-AWEZNQCLSA-N 368.411 1.747 0 40 FDAB COCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 4983148 AMTRPQHKXYWGBL-UHFFFAOYSA-N 355.243 1.522 0 40 FDAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N1C[C@@H](C)O[C@H](C)C1 104698953 LXMZSEFUVBQYMT-NFFDBFGFSA-N 361.394 1.336 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@H]1CSC[C@@H]1O 54360898 SNUHTYWYVCGUSW-BHGAENKKSA-N 364.448 1.315 0 40 FDAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CCC[C@H]1C 104867363 SWVHDJRQBDSBSD-WWGRRREGSA-N 357.414 1.760 0 40 FDAB Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)c1 8254390 NSMFWXYIQSSGPV-XWIAVFTESA-N 366.469 1.516 0 40 FDAB biogenic,in-vitro CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 3008198 GUBIEICMMBVYKB-AWEZNQCLSA-N 368.455 1.483 0 40 FDAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)nc12 100727967 HVFXGNDPXKHNTR-LBPRGKRZSA-N 354.414 1.669 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCc2ccccc21 12548856 BPSLKANYGXIQMW-UHFFFAOYSA-N 357.435 1.286 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C 3257008 MCVVOEBFTQKNPG-CYBMUJFWSA-N 366.487 1.490 0 40 FDAB O=C(Nn1cnc2ccccc21)N1CCC(C(=O)N2CCOCC2)CC1 10260653 XZOPKCRYVSJJQJ-UHFFFAOYSA-N 357.414 1.271 0 40 FDAB C[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCCC1 48128642 JPMHZWYHMVHCNC-CQSZACIVSA-N 365.499 1.589 0 40 FDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccc(Cl)cc2)n1 102015375 LNQCOWBRLPLHHH-XDQVBPFNSA-N 358.785 1.647 0 40 FDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2 100401359 MNCHZQOTNGJPLM-YRGRVCCFSA-N 366.439 1.486 0 40 FDAB COc1coc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccnn2C)C3)c1OC 100210011 SMKONBROFIDPHJ-RYUDHWBXSA-N 361.398 1.685 0 40 FDAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCC2(CC1)OCCO2 2498359 NSKSEHZTACINGR-UHFFFAOYSA-N 371.418 1.888 0 40 FDAB CCN1CCCC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 48355803 DRRDRBCRXJXACB-AWEZNQCLSA-N 350.463 1.232 0 40 FDAB CCOC(=O)c1cccc(OC[C@@H](O)CNC[C@@H]2CCCN2CC)c1 22593149 OOCZRJFMQMCTMA-IRXDYDNUSA-N 350.459 1.677 0 40 FDAB O=C(NC[C@H]1CCCO1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13688374 GTXXFIWVDVFIOM-QWHCGFSZSA-N 367.471 1.030 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5022381 ZYVGYLKAGSKGJY-INIZCTEOSA-N 363.757 1.123 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cs1 65523280 ADTHFNGTBLYCLU-ZDUSSCGKSA-N 374.532 1.277 0 40 FDAB CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 14136084 SBEGAIUKPQGVDT-GOSISDBHSA-N 353.422 1.788 0 40 FDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1 14129164 AKJSQOTZWBMONU-LJQANCHMSA-N 360.377 1.556 0 40 FDAB CCCCCn1cnnc1SCC(=O)N(C)CC(=O)NC(C)(C)C 14251900 IWVPGJNTSCOXFN-UHFFFAOYSA-N 355.508 1.934 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1 4676826 VZNKXLAIWSQNRX-KRWDZBQOSA-N 363.433 1.550 0 40 FDAB Cc1nnc2ccc(C(=O)N3CC(S(=O)(=O)Nc4ccccc4)C3)cn12 96005385 MVOSTRLTTIGAFI-UHFFFAOYSA-N 371.422 1.304 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2O1 7253257 SJNJGXQRWFYJKP-KRWDZBQOSA-N 350.378 1.510 0 40 FDAB Cc1cnc(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cn1 15700219 PWZKEHCAIDZBGD-OAHLLOKOSA-N 354.410 1.679 0 40 FDAB O=C(COC(=O)C1=COCCO1)NCCSc1ccc(Cl)cc1 7817396 IDZOIOMCVKZTMJ-UHFFFAOYSA-N 357.815 1.980 0 40 FDAB O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCN(CC2CCCC2)C1 81293870 SWZJMOCERPQSEX-HNNXBMFYSA-N 370.457 1.840 0 40 FDAB COC(=O)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 8345818 RUGKWESZGRPNTQ-UHFFFAOYSA-N 368.455 1.083 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCO 409196612 WUGMQYMRQVOAJO-UHFFFAOYSA-N 354.472 1.339 0 40 FDAB NC(=O)CN1CCC(Nc2cc(-c3ccccc3)nc3ncnn23)CC1 73448379 VCYJXCPZUMGGLS-UHFFFAOYSA-N 351.414 1.153 0 40 FDAB CC(C)N1CCC[C@@H](N2CCN(Cc3cn4cccnc4n3)CC2)C1=O 95999474 BLHJZAFIWZZHAT-QGZVFWFLSA-N 356.474 1.246 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCc2cccnc2)cc1 28209448 IGCXXNXNWYDTQM-MRXNPFEDSA-N 373.434 1.386 0 40 FDAB O=c1ccc(-c2nc(C3CC3)no2)cn1Cc1cc(=O)n2ccccc2n1 75166044 PDQIFPYUJIYVTN-UHFFFAOYSA-N 361.361 1.832 0 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354.410 1.649 0 40 FDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2c(C)ccn(C)c2=O)C1 560359527 QQKOCZYBWBFHNT-OLZOCXBDSA-N 372.429 1.683 0 40 FDAB COc1cc(C(=O)N2CCN(C(C)=O)CC2)c(-n2cccc2)cc1OC 32074473 HWAXAQYTGDJKQM-UHFFFAOYSA-N 357.410 1.799 0 40 FDAB COc1ccc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cn1 225506229 PKVZXZCCVTTXDY-AWEZNQCLSA-N 357.414 1.630 0 40 FDAB Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)c1 49399720 XAPICSITZGLTKY-UHFFFAOYSA-N 366.425 1.747 0 40 FDAB CCN(CC)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cscn3)C2)O1 96160236 KDZXKBWGDJCZKN-WMLDXEAASA-N 353.488 1.875 0 40 FDAB CCCN1CCC(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 96080470 YRNPAVHBFNXETG-LPHOPBHVSA-N 363.527 1.866 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 96208313 JEIAQTCXFBFGRQ-IAGOWNOFSA-N 353.488 1.535 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2 96036212 KROOGUQYXPZLOF-QGZVFWFLSA-N 365.503 1.181 0 40 FDAB Cc1cccc(-c2noc(CCC(=O)N3C[C@H](CO)[C@H](CN(C)C)C3)n2)c1 91745786 RXIAGXYIIXGMMC-IAGOWNOFSA-N 372.469 1.606 0 40 FDAB Cc1occc1C(=O)N1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2C 96199856 VQFJNMNTBRPBJB-MRXNPFEDSA-N 356.426 1.942 0 40 FDAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2nc[nH]c(=O)c2c1 96117316 BXZVHMHKHMAOHJ-UHFFFAOYSA-N 354.366 1.518 0 40 FDAB COc1ncccc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104286 WNBOOVWCNMTHAA-UHFFFAOYSA-N 350.371 1.528 0 40 FDAB O=C(CCc1ccc(F)cc1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257277840 NZSNQKUYHBUIHK-ROUUACIJSA-N 350.434 1.442 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257328159 XEKQWEGJRUONJN-CHWSQXEVSA-N 355.316 1.553 0 40 FDAB Cc1ccn(CCC(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)n1 257324048 WMXYFRCZZRHXCL-IXDOHACOSA-N 354.458 1.745 0 40 FDAB CN([C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O 260810611 IPHLZWZFZLNVMJ-INIZCTEOSA-N 362.407 1.987 0 40 FDAB O=C(O)c1cccc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 263376398 BMYCILINJCZNEF-NSHDSACASA-N 367.452 1.964 0 40 FDAB COCC(=O)Nc1cccc(CNC(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)c1 626744429 AMQVBRVMBAGJFK-DOMZBBRYSA-N 363.414 1.524 0 40 FDAB Cc1ccc2nnc(CNS(=O)(=O)CCc3c(F)cccc3F)n2c1 629352033 LIOSUWLTIIYZCJ-UHFFFAOYSA-N 366.393 1.978 0 40 FDAB NC(=O)C[C@H]1COCCN1c1ccc(Br)c(C(F)(F)F)n1 649564920 DKPZUHADYANVPM-ZETCQYMHSA-N 368.153 1.944 0 40 FDAB O=C1NC(=O)[C@@]2(CCC[C@H]2CNC(=O)c2occc2Br)N1 674362683 ZEZCMRHGUBZHFN-CPFSXVBKSA-N 356.176 1.150 0 40 FDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 96378007 DVNNWNIHGIGWRN-UHFFFAOYSA-N 371.418 1.870 0 40 FDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cc(C2CC2)[nH]n1 390830347 KKTXOUNKXFMJOI-VIFPVBQESA-N 354.336 1.933 0 40 FDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2CC2(O)CCOCC2)n1 585178847 OZAQYTOYWYXYLF-INIZCTEOSA-N 357.458 1.864 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1 585124159 FOJMUDLPLXTRTJ-UKRRQHHQSA-N 365.459 1.173 0 40 FDAB O[C@H]1[C@H](NCc2cccc(F)c2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844869 PSOGFRXKIKRWEH-LTFPLMDUSA-N 369.396 1.991 0 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FDAB CCOc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)o1 19519885 DITNMGMONHZQMN-AWEZNQCLSA-N 372.425 1.940 0 40 FDAB C[C@H](c1cc(=O)[nH]c(NC2CCOCC2)n1)n1ncc2ccccc2c1=O 19717490 OXCAFIOROAPKBJ-GFCCVEGCSA-N 367.409 1.680 0 40 FDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1=O)S[C@@H](C)C2 4107891 XKCFORHLNNZAMP-QWRGUYRKSA-N 369.512 1.687 0 40 FDAB CCC(C)(C)c1n[nH]c(=NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)o1 641506809 FRORFASRURCYDW-SWLSCSKDSA-N 360.462 1.853 0 40 FDAB O=C1CCCN1CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 589152991 NHECLLGDCASTOS-UHFFFAOYSA-N 353.825 1.859 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 10601846 LXRBEKXCCJHMRZ-UHFFFAOYSA-N 369.780 1.637 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 4057120 NHDMSQKMSJNLFQ-ZDUSSCGKSA-N 364.427 1.726 0 40 FDAB Cn1cc(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)cn1 1888843283 WOIDEGCQAZFWQH-RYUDHWBXSA-N 366.347 1.437 0 40 FDAB COc1ncccc1C(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888870183 QBYNIMANPDRHME-UHFFFAOYSA-N 373.388 1.565 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358.398 1.931 0 40 FDAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccc(-n2cccn2)cc1 575617506 WAHRNILQLBCEOZ-INIZCTEOSA-N 360.443 1.467 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 4359901 TWXCSPXBHRFRAA-ZDUSSCGKSA-N 374.422 1.261 0 40 FDAB CC(C)[C@H](N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144263 OPSSXZQBQSRMGN-SFHVURJKSA-N 357.458 1.081 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N[C@H](C)c1ccccc1 40159180 SVCXUJHQYKGSQF-CHWSQXEVSA-N 361.398 1.128 0 40 FDAB CC(C)C[C@H](C(=O)NCC1(O)CCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101128876 QANUXWVKCLXFFD-OWCLPIDISA-N 362.470 1.774 0 40 FDAB O=c1c(NCc2ccccn2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101697379 KGPYRYLQJUWEPK-UHFFFAOYSA-N 366.396 1.755 0 40 FDAB Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)[nH]c2c1C(=O)CC(C)(C)C2 32674409 ZJDLWJGZGPUVLV-KRWDZBQOSA-N 352.456 1.785 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cc(OC)ccc1OC 2710025 QMYZESAKBWMZIA-AWEZNQCLSA-N 372.377 1.568 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 3557565 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1.654 0 40 FDAB CCc1oncc1C(=O)N1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 575404068 MAFVCTHMCYQGFZ-ZDUSSCGKSA-N 358.398 1.788 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@H]2OCC[C@H]21 585109306 IEVUQICQQJJYOI-ZMSDIMECSA-N 370.409 1.232 0 40 FDAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)Nc2nccc(N(C)C)n2)cn1 585101390 GHRYSBIQNRMQOH-HIFRSBDPSA-N 359.434 1.972 0 40 FDAB O=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 28253775 LUANWYBLRQAXEF-UHFFFAOYSA-N 363.370 1.678 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 53667523 OGKQBLUHJLFXAH-UHFFFAOYSA-N 350.362 1.813 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 673808653 ZCDZPOUFKGKLAQ-QGZVFWFLSA-N 366.483 1.225 0 40 FDAB Cc1ccc(CNC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)cc1 12422861 MTJCTUCIPPPIEC-CQSZACIVSA-N 372.450 1.528 0 40 FDAB C[C@@H](NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1cccs1 12551451 PAPPIMPSKFBXJT-LLVKDONJSA-N 365.480 1.635 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)CCC2=O)n(-c2nc3ccccc3s2)n1 16851019 AUBQTXJSTHWOFZ-UHFFFAOYSA-N 369.406 1.878 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)Cn2cccn2)n1 19698318 SPKVBMOXCLQXPI-LJQANCHMSA-N 368.485 1.702 0 40 FDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)CC3)C1 19709494 ARCCTBAXEUAJCH-MRXNPFEDSA-N 371.460 1.854 0 40 FDAB COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(C)C1=O 8091562 BVRRSOSQHBEITG-UXBLZVDNSA-N 369.171 1.523 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)c3cc4n(n3)CCCO4)C2)n1 225500580 KPAVFRUJUYLLJR-LBPRGKRZSA-N 359.386 1.148 0 40 FDAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nn1 225463012 KXKWISLXBAKNEV-OAHLLOKOSA-N 357.414 1.029 0 40 FDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cc(C(=O)O)ccc2C)C1=O 16899563 PQSACCIXGZWSEF-GFCCVEGCSA-N 351.380 1.621 0 40 FDAB Cc1ccccc1Cn1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n(C)c1=O 23141196 GZKCKKIPGYQKRM-OAHLLOKOSA-N 364.471 1.078 0 40 FDAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)=NN1 4245862 SHXLIKFHJRAETJ-UHFFFAOYSA-N 358.398 1.425 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(NS(C)(=O)=O)cc1 11362885 ZBOQARCVQPXZNA-UHFFFAOYSA-N 357.432 1.911 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2CC[C@H]3Oc4ccccc4N(C)[C@H]3[C@@H]2O)c1 1848354762 OTLRHUWZPRCGKI-UTRMSSBJSA-N 353.422 1.909 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 239274935 AYUOOUUEVWCLKN-NJURLYQPSA-N 350.367 1.989 0 40 FDAB biogenic O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)CC2(O)CCC2)C1 1614931582 YBIUDUZKGNWLLU-BRWVUGGUSA-N 373.453 1.009 0 40 FDAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1 5396312 OQZVILUKOZEHAY-INIZCTEOSA-N 357.410 1.604 0 40 FDAB CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(F)cc(F)c21 100893856 FGZYTDMCTITEEE-SDXDJHTJSA-N 353.350 1.577 0 40 FDAB COc1cc(=O)c(C(=O)NCc2ccccn2)nn1-c1ccc(C)cc1 49407589 SFRMUZNEMQXSFP-UHFFFAOYSA-N 350.378 1.875 0 40 FDAB NC(=O)CN1C(=O)[C@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21 6997269 PSWBJLMKTZWLRU-GOSISDBHSA-N 371.393 1.590 0 40 FDAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)n1 40050139 LFQZWQZJEMUOBJ-AWEZNQCLSA-N 371.507 1.431 0 40 FDAB Nc1nc(Cl)cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 40067542 JGXFPWVNQXGDNF-UHFFFAOYSA-N 373.891 1.721 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 40096395 MQOMCAIOTHRYGS-UHFFFAOYSA-N 368.503 1.940 0 40 FDAB CC/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20292717 YBDUJRJZVRXDLL-FOCLMDBBSA-N 374.441 1.483 0 40 FDAB O=C(Cn1ccc2cc(Br)ccc21)N[C@@H]1CCS(=O)(=O)C1 20733427 HVXBNZGRFYLTAT-GFCCVEGCSA-N 371.256 1.707 0 40 FDAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCc2ccccc2C1 20734735 YEAYUQYEQDJJPR-UHFFFAOYSA-N 362.437 1.926 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 32778296 AOMAVRIACGNNDM-ZDUSSCGKSA-N 366.421 1.383 0 40 FDAB Cc1sc2ncn3c(SCC(=O)N4CCOCC4)nnc3c2c1C 925310 ZNOWTWINYUFLKL-UHFFFAOYSA-N 363.468 1.907 0 40 FDAB COc1ccc(C(=O)COC(=O)CCNC(=O)c2ccco2)c(OC)c1 6180374 HYQMTBWONHVJQS-UHFFFAOYSA-N 361.350 1.843 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)OC)cc1 827452 VMSXCQSWPKTKKS-HNNXBMFYSA-N 364.423 1.594 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(C)cc2C)CC1 1073099 JXDWYYJXEGURNL-UHFFFAOYSA-N 356.444 1.775 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298289 SQARTUYQWBDAPV-OLMNPRSZSA-N 355.442 1.162 0 40 FDAB biogenic,in-vitro Cc1ccn2cc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)nc2c1 12538869 XDOLHWQYTNDPPV-UHFFFAOYSA-N 355.398 1.788 0 40 FDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2cccnc12 25381328 GLRXQRSXENEBRF-MRXNPFEDSA-N 361.467 1.360 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(OC)c1 101646448 JHKZXOLSVSSHII-LDDOYCOJSA-N 350.367 1.081 0 40 FDAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(Cl)c1 20634504 GVRJPRSERGEGMA-AWEZNQCLSA-N 368.792 1.950 0 40 FDAB C[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)Nc1ncnc2nc[nH]c12 26239382 JEYDJCMVZJQXQT-SREIQFSDSA-N 358.185 1.807 0 40 FDAB O=C1[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]([C@H]2[C@]5(Br)C32OCCO2)[C@]14Br 101179034 GABJUTVSUROVBC-PPFZVYDSSA-N 362.017 1.331 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100870000 YSWNWJUKLUOERO-JUFZMCDQSA-N 350.168 1.820 0 40 FDAB COc1cccc(CN2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)n1 108535191 NNYATCOKBZCHAF-LZLYRXPVSA-N 357.410 1.589 0 40 FDAB COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)c1 26554994 QBNYWFJCHOOBQR-UHFFFAOYSA-N 374.484 1.414 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 24886246 JIXYMCVEZUPCFB-UHFFFAOYSA-N 358.383 1.286 0 40 FDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 3263206 GVYXUIAOWWURMX-UHFFFAOYSA-N 351.384 1.256 0 40 FDAB COC(=O)COc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)c(C)c1 57991147 IHAHIKUXAYFBNQ-UHFFFAOYSA-N 359.382 1.719 0 40 FDAB CCOC(=O)N1CCC(NCc2ccccc2OCC(=O)N(C)C)CC1 58180125 UQPBYQBITKCLHB-UHFFFAOYSA-N 363.458 1.864 0 40 FDAB CC(C)[C@@H](C(=O)Nc1nnc2ccccn12)N1C(=O)c2ccccc2C1=O 58197089 CCCGLJYIXJCCQQ-HNNXBMFYSA-N 363.377 1.989 0 40 FDAB CC(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 58215219 JLSJVXXDPNNDLI-UHFFFAOYSA-N 374.441 1.714 0 40 FDAB COCCN1C(=O)/C(=C(\C)Nc2ccnn2C(C)C)C(=O)NC1=S 104945701 XUECZRVKNVPWGY-ZRDIBKRKSA-N 351.432 1.040 0 40 FDAB CCCc1nnc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 103171947 FYLBRTROSSXIEN-DUBDDPSESA-N 360.439 1.626 0 40 FDAB CCn1c(CCC(=O)NC2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 10741102 GTUIABXHYKGEKK-UHFFFAOYSA-N 364.471 1.518 0 40 FDAB Cc1nc2oc3c(N(CCO)CCO)ncnc3c2c2c1COC(C)(C)C2 2341440 GWRYWDLPHVJFKI-UHFFFAOYSA-N 372.425 1.722 0 40 FDAB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)[C@@H]3CCCO3)nc2N1 2413130 PPIBKJLRFYZDKL-RYUDHWBXSA-N 361.789 1.981 0 40 FDAB O=C(NCc1cccnc1-n1cccn1)c1c[nH]c(C(=O)N2CCCC2)c1 48331921 XNVNMVNSVMZTON-UHFFFAOYSA-N 364.409 1.761 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O 12985917 IWOLPVSOTGDHEO-KBPBESRZSA-N 360.410 1.602 0 40 FDAB CN1[C@@H](Cc2ccc3c(c2)OCCO3)[C@@H](O)c2ccccc2S1(=O)=O 13681325 LTFTYGGDCIIJQM-KSSFIOAISA-N 361.419 1.737 0 40 FDAB COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@H]2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 20470385 WBQZTNXTTZOSLT-LQAWEQHXSA-N 358.350 1.948 0 40 FDAB NC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cc(Br)ccc2n1 14093879 KONMXEYYMNLPOT-GFCCVEGCSA-N 365.231 1.297 0 40 FDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC(C(=O)N2CCCCC2)CC1 9155784 JMDMGFJEHZUBSY-UHFFFAOYSA-N 368.437 1.788 0 40 FDAB Cc1cc(OCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)no1 14199230 IFCWPGGPMMVDKT-UHFFFAOYSA-N 355.276 1.740 0 40 FDAB Cc1cnn(CCC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 96005252 BGYXTCLAJTUBBO-INIZCTEOSA-N 368.503 1.435 0 40 FDAB Cc1cc(O)c(C(c2ccco2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 7597007 DOJKRGNKJNCTJH-UHFFFAOYSA-N 356.378 1.885 0 40 FDAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)NC1CC1 17278202 NGRGHDFVOBJLGP-ZDUSSCGKSA-N 373.482 1.863 0 40 FDAB NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1 19809541 IUOMBVUSPSCTKH-ZDUSSCGKSA-N 369.343 1.535 0 40 FDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306139732 TYUPIAQSAXDZSJ-HUUCEWRRSA-N 357.433 1.860 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306139903 UDQLMEUYINPIOV-BMFZPTHFSA-N 364.467 1.270 0 40 FDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CN1CCNC1=O 95466934 QOTRAVSVSRJIIQ-STQMWFEESA-N 361.446 1.637 0 40 FDAB CCOc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cc1 95951290 QBURMIAZBQZOTM-UHFFFAOYSA-N 370.457 1.819 0 40 FDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)O)cc1 95956993 VKRBSAQQNCHZHA-DNGMOHDESA-N 352.412 1.074 0 40 FDAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)cc1 95976438 VIRWZOAWCOAGAM-INIZCTEOSA-N 373.409 1.672 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCCC1 89465987 ICIGAWCHCALMFX-HNNXBMFYSA-N 368.455 1.987 0 40 FDAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCC2(CC1)OCCO2 24997183 UCBIEZUSMLNYAD-UHFFFAOYSA-N 360.410 1.558 0 40 FDAB CCCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 408702925 KDBUDJYXAJAZIO-UHFFFAOYSA-N 356.444 1.530 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 306125351 CNDZKOWXGKMBOO-QGZVFWFLSA-N 371.466 1.537 0 40 FDAB CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704726 RXSRNMZTCQPAGV-CHWSQXEVSA-N 370.471 1.917 0 40 FDAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709410 SIGNSVGHNYJSQG-UHFFFAOYSA-N 361.442 1.840 0 40 FDAB O=C(N[C@@]1(CO)COc2ccccc2C1)C1CCN(c2cnccn2)CC1 529823854 VXBICQVKMHLAKD-FQEVSTJZSA-N 368.437 1.175 0 40 FDAB O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CCCNCC1 521394595 OLVXSKPKHDKZAA-UHFFFAOYSA-N 357.863 1.315 0 40 FDAB CC(C)CNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217629905 SXRPFQWWCYZXSY-LBPRGKRZSA-N 356.444 1.910 0 40 FDAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1sccc1-n1cnnn1 40142469 DOVRULONSGIMPG-UHFFFAOYSA-N 370.394 1.928 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 223301264 SOQHMFWVQYOTJJ-UHFFFAOYSA-N 367.452 1.687 0 40 FDAB O=S(=O)(c1cccnc1)N1CC(c2nc(Cc3ccccc3)no2)C1 75156435 FOLJRSHUEVBMJA-UHFFFAOYSA-N 356.407 1.844 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)C1=O 570838178 LCJSJJZCMXJQLQ-CQSZACIVSA-N 359.361 1.495 0 40 FDAB COc1ccc(CC(=O)NCCn2ncc3ccccc3c2=O)cc1OC 40818879 VQJISSZCTCXEPG-UHFFFAOYSA-N 367.405 1.773 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1ccccc1 223614776 GYMJQQFFPNBZIM-UHFFFAOYSA-N 366.414 1.787 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cn1 96157929 QEHNFBZBMMGVNR-UHFFFAOYSA-N 351.410 1.839 0 40 FDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230477806 QINNBCZMAYXQOG-GZBFAFLISA-N 362.426 1.334 0 40 FDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]3O2)n1 96218814 YAVRTEYTTDHTFZ-HEHGZKQESA-N 357.366 1.579 0 40 FDAB C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)C[C@@]2(CCO[C@@H]2C)O1 579553411 YSVUGDAOVFKVSX-GPCCPHFNSA-N 360.336 2.296 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CN(C(=O)c1ccccn1)CC2 96253975 CLXOJAZWLOAHJE-UHFFFAOYSA-N 352.442 1.736 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3nccs3)CC2)CN1S(C)(=O)=O 96208654 MKDKCZIWZVEJOG-ZDUSSCGKSA-N 359.517 1.406 0 40 FDAB COC(=O)CCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 96114856 YOMRVGSGXLMJIJ-UHFFFAOYSA-N 363.366 1.340 0 40 FDAB biogenic Cn1cc(C(=O)NC[C@@H]2CCC3(CN(Cc4cccnc4)C3)OC2)cn1 248129632 MXDZQUVZPWRHHC-INIZCTEOSA-N 355.442 1.226 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257258380 KTPMVRGYZRKGCN-MRXNPFEDSA-N 359.430 1.017 0 40 FDAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2cccc(C)n2)cn1 253601167 KXPSLUZGYXJARO-MRXNPFEDSA-N 368.437 1.936 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257298734 RNBUHGAVMXTUSR-KRWDZBQOSA-N 357.414 1.624 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2ccc(N(C)C)cc2)c1 90746403 GHBZGYQEPVMNKS-GOSISDBHSA-N 362.451 1.967 0 40 FDAB Cc1cc(Br)cn2c(CNC[C@@H]3CN(C)CCN3C)cnc12 1620791369 KKDMSTQPKSKUSQ-OAHLLOKOSA-N 366.307 1.741 0 40 FDAB Cc1cc(N(C)CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n[nH]1 640192256 VIIHSIWTBAQOPD-CQSZACIVSA-N 361.490 1.651 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1C 643623753 XEGLNWFDSDLXIO-MSOLQXFVSA-N 356.470 1.877 0 40 FDAB Cc1cc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)ccc1-n1cncn1 643755613 ZCZDULBYGUHZRO-IBGZPJMESA-N 357.458 1.381 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)N1CC(Cc2ccccc2Cl)C1 644389301 IXUJJSUEPLJIJG-INIZCTEOSA-N 350.846 1.714 0 40 FDAB C[S@@](=O)C1(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CCNCC1 602520053 GNVOJBIYHRVIQF-SGANQWHYSA-N 361.467 1.575 0 40 FDAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cs1 585290924 XWGKAGKXTZJWEP-LZYNDVPASA-N 365.499 1.537 0 40 FDAB O=C(/C=C/CN1CCOCC1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 585291252 NUILNMWOACKFTD-ALHDMTEFSA-N 374.481 1.742 0 40 FDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CCCC[C@@H]1CO 89643142 RMFKLMSWKNFYFX-CXAGYDPISA-N 366.483 1.717 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 5799290 JDRNIXRYTRZGKC-QXSJWSMHSA-N 364.829 1.867 0 40 FDAB COc1ccc2cc(C)c3nn(CC(=O)Nc4ccccn4)c(=O)n3c2c1 12117624 HUNFPHPCDYAPLW-UHFFFAOYSA-N 363.377 2.000 0 40 FDAB Cc1nn(C)cc1CN1CCC(c2nnsc2S(C)(=O)=O)CC1 12121323 KYDNNUVYVLEXPC-UHFFFAOYSA-N 355.489 1.363 0 40 FDAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)[C@H]2C1 12188306 MWYHPTGQICRNGM-CJNGLKHVSA-N 352.431 1.847 0 40 FDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1 13116127 UFJRPPBCKJRQNL-UHFFFAOYSA-N 371.441 1.703 0 40 FDAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCOC)c2ccccc12 14136044 MHAKCYCDELEMOG-UHFFFAOYSA-N 359.426 1.455 0 40 FDAB C[C@@]12C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)N1CCc1c2[nH]c2ccccc12 16041687 VKJLHLPVZYUVCS-BBATYDOGSA-N 373.434 1.391 0 40 FDAB biogenic O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccc(F)cc2)CC1 16428080 UQSDCDJKBMWBHG-UHFFFAOYSA-N 372.429 1.933 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C3CCC3)c3ncccc23)C1 19016449 HUYTWTRPNCLCTQ-OAHLLOKOSA-N 355.442 1.683 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccncc2)c2cnccc2n1 19405611 MSCAGPPMMPPQKB-CYBMUJFWSA-N 368.418 1.609 0 40 FDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Br)OCO2 19575870 YBKKKJNFMCMNBT-WCFLWFBJSA-N 369.259 1.817 0 40 FDAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1cc(CN(C)C)n(C)n1 19709143 AKYSPDDGCVZWNQ-INIZCTEOSA-N 357.524 1.595 0 40 FDAB Cn1c(=O)c(C(=O)Nc2cccc(Cn3cncn3)c2)nc2ccccc21 19718489 ZHZKRBNYKKTMGO-UHFFFAOYSA-N 360.377 1.826 0 40 FDAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2C 19741172 DLNMTFRFUWBFCJ-OAHLLOKOSA-N 368.441 1.644 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccncc3)n[nH]2)cc1 12114820 PONXLZYVGKDNJA-LLVKDONJSA-N 359.411 1.915 0 40 FDAB CC[C@H](C)S(=O)(=O)N1CC(n2nc(-c3cccs3)ccc2=O)C1 19500006 YYOPDGYQFYWKHC-NSHDSACASA-N 353.469 1.957 0 40 FDAB CN1C[C@@H](CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)OCC1=O 1850013369 WXMUKUMAXQOQBN-ZDUSSCGKSA-N 358.364 1.080 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 2803526 BMWBIPJYWPFQGJ-UHFFFAOYSA-N 362.249 1.454 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 253407118 VPIZPNBWNACBAC-INIZCTEOSA-N 374.437 1.962 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)Cn4ccccc4=O)C[C@H]3C2)cs1 1565542901 BSTYIELKKFFMSE-HUUCEWRRSA-N 358.467 1.204 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565555630 MCECNRILHXUIOJ-UHFFFAOYSA-N 369.425 1.361 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1cccc(F)c1)CC2 2055730230 OGWYFPVSVLKUFE-CYBMUJFWSA-N 353.419 1.510 0 40 FDAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)cnc12 28527128 DLYJDBTYSBNCFH-UHFFFAOYSA-N 368.180 1.209 0 40 FDAB O=C(CN1CCC[C@H](NS(=O)(=O)C2CC2)C1)Nc1ccc(F)cc1 2086882004 TXIOENYPMRQPHQ-AWEZNQCLSA-N 355.435 1.310 0 40 FDAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCN(c2ccccn2)CC1 225709745 GPSVWDWQAOVXNQ-MRXNPFEDSA-N 354.410 1.607 0 40 FDAB O=c1n(Cc2ccccc2)nc2ccc(S(=O)(=O)N3CCCCC3)cn12 49407871 IXGORXRMPKYJRB-UHFFFAOYSA-N 372.450 1.719 0 40 FDAB C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)NC(=O)NC1=O 40110898 RUCOVHCESDFIBX-SFHVURJKSA-N 353.334 1.722 0 40 FDAB O=C1C[C@@H](C(=O)NCc2cccnc2-n2cncn2)c2ccc(F)cc2N1 40108933 FDMMAMYZQAEPEP-CQSZACIVSA-N 366.356 1.544 0 40 FDAB COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1OCc1ccncc1 32034851 PWJDAVVENUJHBO-UHFFFAOYSA-N 369.421 1.974 0 40 FDAB CCOC(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)OCO4)CC1 20610220 MKTFVFPSXKGUJB-UHFFFAOYSA-N 360.366 1.796 0 40 FDAB biogenic COCCCNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 20718624 KFMFYQMAHYIBGY-UHFFFAOYSA-N 360.370 1.300 0 40 FDAB CON(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C)cs2)cc1 21482903 DNBUGGCBXBZVNE-UHFFFAOYSA-N 355.441 1.563 0 40 FDAB Cn1c(SCc2ccc(C(N)=O)cc2)nnc1[C@H]1CCS(=O)(=O)C1 32837692 XLCUAQIYFBPUIC-LBPRGKRZSA-N 366.468 1.108 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 21600097 MQCAQFHOQIRVSI-IBGZPJMESA-N 370.409 1.472 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3=NCCS3)C2)s1 32903771 NCYISQAUKZXHJD-LLVKDONJSA-N 373.525 1.676 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(CCSC)CC2)cc1OC 22019191 LLVJBHPIFPODAG-UHFFFAOYSA-N 360.501 1.373 0 40 FDAB C[C@@H](C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)N1CCN(C)CC1 84070245 OUZAFCPRZLNYHG-ZDUSSCGKSA-N 354.458 1.924 0 40 FDAB COC(=O)C1(NC(=O)CCNC(=O)c2ccccc2OC)CCCCC1 22503760 DOZXQMUNJHYXIV-UHFFFAOYSA-N 362.426 1.807 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccn2)cc1 4935614 XDCIPVMRMQEYRG-CYBMUJFWSA-N 363.439 1.464 0 40 FDAB CC[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCCOC 4967087 HBSCUIMLMBPELV-JSGCOSHPSA-N 366.439 1.574 0 40 FDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Br)cc1F 6673586 IRKGYSQUAMSPPE-WCBMZHEXSA-N 365.249 1.448 0 40 FDAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc2c(c1)OCO2 6961910 DWFUSBXZEQCYPZ-MLPAPPSSSA-N 352.350 1.925 0 40 FDAB CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCOC)C1=O 6965171 HFLFPHFWZBRMMD-UVTDQMKNSA-N 364.423 1.884 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N1CCc2ccccc2C1 9157506 JPBKEZIYFPJDKN-UHFFFAOYSA-N 371.462 1.281 0 40 FDAB COC(=O)c1n[nH]c2ccc(NC(=O)CN(C)C(=O)c3ccco3)cc12 25083174 MMULQNKCOFDRIJ-UHFFFAOYSA-N 356.338 1.653 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1cccs1 3276439 RHFHDLGWOLIJOP-SFHVURJKSA-N 355.419 1.758 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1 3211028 ARJYCHNFBBUCJM-ZIAGYGMSSA-N 352.456 1.721 0 40 FDAB CC(=O)c1sc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc1C 28248070 GQKNMVWRQOKCKH-UHFFFAOYSA-N 352.397 1.625 0 40 FDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCC(=O)N1CCCc2ccccc21 57271692 NMOHDMXGQOHUJL-ZDUSSCGKSA-N 352.456 1.294 0 40 FDAB COCCNC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426208 WDNGYQIPANNCKJ-UHFFFAOYSA-N 355.485 1.969 0 40 FDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1CCOc2ccccc21 108742096 DOBFKYWSLQZHPE-CYBMUJFWSA-N 352.394 1.556 0 40 FDAB O=C1O[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)Cc2ccccc21 48247877 UGFJCWGLKKLAKN-SFHVURJKSA-N 353.374 1.898 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N=c1[nH]c2ccccc2[nH]1 72402795 QKAPBSGUPNGTGD-LBPRGKRZSA-N 373.438 1.410 0 40 FDAB CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccccc1 3327015 AXUVLGFDEIDARM-HXUWFJFHSA-N 365.389 1.879 0 40 FDAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1-n1cnnn1 58894460 CZKNOAVHWYWWPQ-INIZCTEOSA-N 356.361 1.965 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CCOC1=O 3453741 PDXUCZCSAMFMDA-HNNXBMFYSA-N 367.423 1.642 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1Cl 20005857 PYJKPSIIXQVZGT-CQSZACIVSA-N 368.842 1.724 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)cc1 13623953 VFGOZDVJVKPECA-UHFFFAOYSA-N 353.378 1.753 0 40 FDAB Cc1nnc2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nn12 13700374 LWCLQIYOIQBIHH-UHFFFAOYSA-N 370.388 1.299 0 40 FDAB NC(=O)c1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c2ccccc12 14076285 PNGQXOANDZKHOC-UHFFFAOYSA-N 362.389 1.623 0 40 FDAB O=C(CN1CCN(C(=O)c2cccc3cccnc23)CC1)N1CCCC1 14168325 XCWZRZQGRMFRKX-UHFFFAOYSA-N 352.438 1.615 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 14201163 RUCRIMQNPWFNNE-NSHDSACASA-N 354.204 1.091 0 40 FDAB Cn1cc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1C(N)=O 66620191 HTQMJEVIURYXME-QGZVFWFLSA-N 354.410 1.816 0 40 FDAB CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)CC2 96000647 FAZFMRNMYOICQD-GFCCVEGCSA-N 352.464 1.472 0 40 FDAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1O 5865540 CKOHSVMUORBHLC-UHFFFAOYSA-N 364.379 1.144 0 40 FDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCCc1ccccc1 7056845 ODXXJCTWOOBRQI-CYBMUJFWSA-N 365.389 1.827 0 40 FDAB CN(C)Cc1ccccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 7064680 NRKPOSPOAVDTQF-UHFFFAOYSA-N 364.449 1.854 0 40 FDAB COC(=O)c1ccc(CNC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 15555305 NLIWUPQGHWCKRZ-UHFFFAOYSA-N 369.356 1.582 0 40 FDAB COc1ccc(-c2n[nH]c(SCC(=O)NCC(=O)NC(C)C)n2)cc1 9337363 WQIFWMHSZWDOSX-UHFFFAOYSA-N 363.443 1.213 0 40 FDAB CCn1nc(C(=O)O)c2c1CC[C@H](NCc1nnnn1-c1ccccc1)C2 67910170 OUEJSRKNYHTNPP-LBPRGKRZSA-N 367.413 1.224 0 40 FDAB CC(=O)Cn1c(Br)nc2c1c(=O)n(CCC(C)C)c(=O)n2C 69534034 WIEISTOMQWXLAM-UHFFFAOYSA-N 371.235 1.294 0 40 FDAB COc1ccc(C(=O)NCCc2ccco2)cc1S(=O)(=O)NC1CC1 17910498 LNEIHIGWVIQKQK-UHFFFAOYSA-N 364.423 1.701 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cccnc2)c1C 84791064 HQVSJLRFUWYJKB-ZDUSSCGKSA-N 358.398 1.880 0 40 FDAB CN(C)c1ccc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cn1 95999934 AXIZHSKONCJMFD-UHFFFAOYSA-N 374.466 1.092 0 40 FDAB O=C(O)c1cccn1C1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1 95989497 FQTXBBDRTIPBQE-UHFFFAOYSA-N 354.406 1.880 0 40 FDAB COCCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217645383 FTKXFIZWOPQYRD-UHFFFAOYSA-N 374.459 1.537 0 40 FDAB COc1ccc(CCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1OC 36697052 KQHLKCPNPGTTNZ-UHFFFAOYSA-N 369.377 1.206 0 40 FDAB CN1CCN(S(=O)(=O)c2cncc(Br)c2S)CC1 72210917 AGMHZDUKIIHSAX-UHFFFAOYSA-N 352.279 1.069 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2)cc1OC 70639708 LHVSLMMNWTWGKC-QGZVFWFLSA-N 351.424 1.890 0 40 FDAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 223038166 HCPBIGKJNKVVOX-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@](O)(c1ccco1)C1CC1 75154934 YEBQPPJHLHZLQE-SFHVURJKSA-N 363.435 1.857 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1N1C(=O)CCC1=O 225013385 YOSHSNRUYHCRSZ-UHFFFAOYSA-N 364.379 1.420 0 40 FDAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C3COC3)C[C@H]21 514288845 CHXFQOJWZXINCT-MJGOQNOKSA-N 351.406 1.665 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)s3)CC2)O1 96036746 AGMBUTJCOPZZTK-HNNXBMFYSA-N 360.483 1.889 0 40 FDAB CN(C)C(=O)CN1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244286 GFUVGMOHZMHMDY-LJQANCHMSA-N 353.426 1.101 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccncc1)C2 96050226 SZMCTKVLVSVSHF-HXUWFJFHSA-N 350.422 1.645 0 40 FDAB Cc1cccc(COC[C@@H]2CC3(CCN(S(C)(=O)=O)CC3)CO2)n1 96110793 MFSANOGJOCVSLY-INIZCTEOSA-N 354.472 1.737 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)O1 96057563 DWYVPOPPEWCDOP-BRWVUGGUSA-N 355.394 1.753 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)C1 249381560 BERWYFHREGPXLH-VBQJREDUSA-N 360.458 1.345 0 40 FDAB Cc1cc(N2CCC[C@@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)ncn1 257265724 MAAMRJMOZHQBRD-CQSZACIVSA-N 365.441 1.914 0 40 FDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257312927 UQFQLWUSEUILNX-HNNXBMFYSA-N 357.366 1.476 0 40 FDAB Cc1ccc(C(=O)N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)cn1 253601652 VJPLVHHRKZRKNA-INIZCTEOSA-N 354.410 1.941 0 40 FDAB CO[C@@H]1CN(c2nc(-c3ccncc3)nc(C)c2C)C[C@H]1c1cnn[nH]1 621336958 FUCSAUDVXDBRMP-GOEBONIOSA-N 351.414 1.892 0 40 FDAB C[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1cccnc1)n1cnc2c(N)ncnc21 623143896 VYKIRHCEHOLAHP-SUHUHFCYSA-N 353.386 1.011 0 40 FDAB Cc1cc(=N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)[nH]c(C2CC2)n1 643700365 YNZLYMAALYLHHF-AWEZNQCLSA-N 356.430 1.769 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCc1cc(Cl)cc2c1OCC2 644426244 CQSLMXSZYRUGMI-AWEZNQCLSA-N 352.818 1.265 0 40 FDAB COCCn1nnc2c1CCN(C(=O)N[C@H]1CCCc3c(O)cccc31)C2 1775959272 NVMBOZSNXVNDPK-HNNXBMFYSA-N 371.441 1.775 0 40 FDAB COc1cccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)c1 585262387 JPTRMBFSSTWMGD-NCXUSEDFSA-N 357.406 1.757 0 40 FDAB Cc1cccc(C)c1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 43357872 SJFNFXLJMPBDKJ-GJZGRUSLSA-N 369.487 1.864 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)COC4)CC2)no1 95453935 OINFUDXPXIUIMM-UHFFFAOYSA-N 356.426 1.770 0 40 FDAB CCN(CCC(F)(F)F)C(=O)NCCCn1nc2n(c1=O)CCCC2 75572915 AIFPOYWWFGBXOV-UHFFFAOYSA-N 363.384 1.755 0 40 FDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC 5018816 USJWWOBXYSOBAJ-BJMVGYQFSA-N 354.746 1.725 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181455 AVOXKOPBHGAYKZ-UHFFFAOYSA-N 356.401 1.637 0 40 FDAB c1nnn(C23C[C@H]4C[C@H](CC(c5nc6c7cn[nH]c7ncn6n5)(C4)C2)C3)n1 17074531 FMXHHMHKRNBJIX-HLASGMPESA-N 362.401 1.234 0 40 FDAB CCN1C[C@H](C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CC1=O 19526990 COVDOLVDIVTIRC-OAHLLOKOSA-N 373.453 1.885 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCC2=CCN(C)CC2)[C@H]1c1nccn1C 613267894 UZDYDVAHKDLBAQ-RDJZCZTQSA-N 359.474 1.098 0 40 FDAB O=C(C[C@H](NC[C@H]1CCCO1)C(=O)O)Nc1ccc(Br)cc1 10186522 UJYDRZAIAZUBCH-OLZOCXBDSA-N 371.231 2.000 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 12126582 ONZMGGXAILLVEG-VIFPVBQESA-N 365.319 1.886 0 40 FDAB CNC(=O)c1cccc(CCNC(=O)c2nn(C)cc2Br)c1 556306547 NADKJJHHALXQPE-UHFFFAOYSA-N 365.231 1.515 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)C[C@@H](C)O1 16818950 LTDUCPHGLJLPIF-XQQFMLRXSA-N 364.467 1.881 0 40 FDAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1)C1CC1 19400385 GFDWALOEZFLYIO-YOEHRIQHSA-N 353.426 1.924 0 40 FDAB COc1ccc2cc(CN3C[C@H]4C[C@@H](O)CN4C[C@@H]3C)c(OC)nc2c1 19575878 GGOTXWHGMHZEHJ-IAOVAPTHSA-N 357.454 1.891 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 4308229 LTTKIXNPBOLESD-UHFFFAOYSA-N 361.398 1.831 0 40 FDAB O=c1cc(C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)[nH]c(=O)[nH]1 6541878 WQLRIPMVUQYWNL-ZDUSSCGKSA-N 357.313 1.666 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 7544658 MMQZSDVYXZPVHM-CYBMUJFWSA-N 358.446 1.494 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)n1 1888843250 PBHADXQCUYFIQK-GHMZBOCLSA-N 366.347 1.867 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cc5cccnc5)C[C@H]4C3)n1)CCC2 1888869754 IPXSBKHIVWSTMM-CALCHBBNSA-N 363.465 1.806 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4c(C)c(C)nc5ncnn45)C[C@@H]3C2)n1 1888879493 PQMHILJKYUFGGI-ZIAGYGMSSA-N 366.429 1.112 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)ncnc21 1888904311 OSEDKQXUOROZEX-OKILXGFUSA-N 363.425 1.450 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15568563 RIYKRISKYGZORA-UHFFFAOYSA-N 354.366 1.623 0 40 FDAB Cn1ccnc1-c1cc(C[C@@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 1848352059 LWEQWKBLKNLDCL-AWEZNQCLSA-N 363.425 1.762 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 1614932282 AMYORKCVALXPNJ-KRWDZBQOSA-N 371.422 1.928 0 40 FDAB C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)CC=CCC1 1565556776 UZGRUABVGLQEMK-WOJBJXKFSA-N 372.469 1.657 0 40 FDAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@@H]3CCCO3)cc21 5442185 CERPKNHNRRQXSF-INIZCTEOSA-N 373.453 1.856 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)CC2CC2)CC1 2055738831 UCOWROMGHFINIB-UHFFFAOYSA-N 366.487 1.479 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)/C=C/c2cccs2)CC1 2055746142 QUCPBVJJKDRLFT-AATRIKPKSA-N 373.482 1.136 0 40 FDAB O=C([C@@H]1CCCN(c2cc(=O)n3ccccc3n2)C1)N1CCSCC1 2086861221 VBINJMMJDXIRGR-CQSZACIVSA-N 358.467 1.486 0 40 FDAB Cn1cccc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c1=O 207996691 IKBGIGBWXMVSOZ-CQSZACIVSA-N 366.377 1.674 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccco2)n2cccn2)cn1C 575613687 KDYVVSGBDZYRSX-ZDUSSCGKSA-N 363.443 1.901 0 40 FDAB C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccsc1 618255189 NBZJKJRJNODGGW-MRXNPFEDSA-N 369.464 1.791 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 20717864 QNRDCNGBIDMIHK-AWEZNQCLSA-N 363.845 1.412 0 40 FDAB CCn1c([C@H]2CCCN2C(=O)[C@H](C)NS(C)(=O)=O)nc2ccccc21 101680159 YHHGXBLLRBJHTB-SWLSCSKDSA-N 364.471 1.657 0 40 FDAB O=C(COCC(F)(F)F)NCCN1CCN(Cc2ccccc2)CC1 60503683 SLFFWTHSJVRTMI-UHFFFAOYSA-N 359.392 1.499 0 40 FDAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC1CC1 12004519 XMUWSICJNOJABI-UHFFFAOYSA-N 360.457 1.066 0 40 FDAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cnn1C 22285267 WBAYIQMOVYXBQI-HNNXBMFYSA-N 356.426 1.623 0 40 FDAB CS[C@H](C)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53743585 QVMNEUOBMUWPNM-CYBMUJFWSA-N 353.463 1.732 0 40 FDAB COc1ccc(-c2noc(CNC(=O)Cn3c(C)cc(C)nc3=O)n2)cc1 12409472 LMFAYSRKIOABDF-UHFFFAOYSA-N 369.381 1.235 0 40 FDAB CCCC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 7338663 CDMGNAFHUPBJDQ-UHFFFAOYSA-N 373.409 1.186 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 97015148 RNPDYZXFLDQTOW-FRRDWIJNSA-N 357.480 1.072 0 40 FDAB C[C@@H](C(=O)NCCCN1CCCC1)N(c1ccccc1)S(C)(=O)=O 10450084 JARXNFARRNDFFD-HNNXBMFYSA-N 353.488 1.443 0 40 FDAB COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8298927 QBHJRPSOPSDVTR-QGTPRVQTSA-N 361.490 1.584 0 40 FDAB biogenic,in-vitro CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 8393221 PKZWFYMOFOTKOV-UHFFFAOYSA-N 364.427 1.062 0 40 FDAB CCn1c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc21 12540450 WLKMGSYKUNAWHK-BETUJISGSA-N 352.394 1.946 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(SCc2cccnc2)cc1 12553322 QJFUHEZVCJVPFM-UHFFFAOYSA-N 368.418 1.863 0 40 FDAB NC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 1331617 MHNFUGMYNZCPSV-UHFFFAOYSA-N 365.418 1.670 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317686 GDGFRDSVSUXHNL-WDMOLILDSA-N 362.373 1.944 0 40 FDAB Cc1nc(CN2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)no1 114465032 RJMOYYYBZCMKPK-CQSZACIVSA-N 355.442 1.473 0 40 FDAB COc1cc([C@@]2(C)NC(=O)N(CN3CCCC3)C2=O)cc(OC)c1OC 57289874 WPPMSTBBEWZHEL-GOSISDBHSA-N 363.414 1.533 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccn(Cc3ccccn3)n2)c2ccccc21 58197598 JSXCRTBMCTZWSC-UHFFFAOYSA-N 362.393 1.619 0 40 FDAB COc1ccccc1S(=O)(=O)N1CCNC(=O)C[C@H]1c1ccccc1 58173435 ITZIQEUNTWRMKP-HNNXBMFYSA-N 360.435 1.947 0 40 FDAB COc1cccc(C[C@@H](C(=O)NCCCn2cccn2)n2nnnc2C)c1 48291047 YNKOWUOTGSEHBX-KRWDZBQOSA-N 369.429 1.177 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)c2ccccc2O1 12755743 QPYRQOXOZPDOCZ-INIZCTEOSA-N 361.348 1.917 0 40 FDAB Cc1ccc(N2N=C(C(=O)O[C@H]3CCOC3=O)CCC2=O)cc1Cl 11952595 ZGPXBWACKWXRGS-ZDUSSCGKSA-N 350.758 1.990 0 40 FDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 3426776 CRHAGOYFYJXGMT-UHFFFAOYSA-N 361.398 1.960 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCCCCO 12900327 KNKHQSBZGPQBPU-UHFFFAOYSA-N 373.453 1.781 0 40 FDAB biogenic COc1ccc2c(C)c(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)c(=O)oc2c1 13629801 FEILISZUVDBEMC-LLVKDONJSA-N 363.391 1.079 0 40 FDAB CCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209613 KRDQOXFNLXLTNK-HIFRSBDPSA-N 352.456 1.980 0 40 FDAB O=C(COC(=O)c1cc(Br)c[nH]1)NC(=O)Cc1ccccc1 14199683 NHWYGEQHWPDMPG-UHFFFAOYSA-N 365.183 1.820 0 40 FDAB COc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1OC 4538334 BARRWYPAQJZZOV-UHFFFAOYSA-N 365.411 1.504 0 40 FDAB Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c(Cl)c1 14215871 USAUOFJGOJMGEQ-UHFFFAOYSA-N 372.606 1.900 0 40 FDAB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)NCc1ccc2c(c1)OCO2 5451267 SBQPZGCEENAWJR-NVNXTCNLSA-N 366.373 1.947 0 40 FDAB biogenic CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 7374637 GSXXGEVGGFYAMF-UHFFFAOYSA-N 350.799 1.942 0 40 FDAB COc1ccccc1OCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 7780097 BPZMTKBOVNYUBM-UHFFFAOYSA-N 371.345 1.831 0 40 FDAB CN1C(=O)/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc21 16805690 ABTFBBHPRKNCKW-SEYXRHQNSA-N 366.427 1.774 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Br)C1 8279595 NLKSNRPFPKKWGL-VIFPVBQESA-N 359.195 1.691 0 40 FDAB Oc1ccc(-n2nnnc2SCc2nnnn2-c2ccccc2)cc1 8313058 PMJWIJTXNRNKOH-UHFFFAOYSA-N 352.383 1.636 0 40 FDAB COC(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 9591682 ZCSPBLHMKUDQKR-CYBMUJFWSA-N 368.455 1.400 0 40 FDAB COCCN1CC[C@H](CNC(=O)c2cccnc2OCC(F)(F)F)C1 75572858 WEHHPWPQDZIFPU-GFCCVEGCSA-N 361.364 1.721 0 40 FDAB C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 42685579 XOFYZVNMUHMLCC-MTVNYMPZSA-N 358.434 1.766 0 40 FDAB O=C(CN1CCC(C(=O)NC2CC2)CC1)Nc1ccc2c(c1)OCCO2 55915517 XBYQAQUHNZFPMO-UHFFFAOYSA-N 359.426 1.387 0 40 FDAB CCNC(=O)CN1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1 32770114 URDZEJWQXRJOIW-UHFFFAOYSA-N 358.486 1.258 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O 218335271 YLZVJCPUAYIXNN-CABCVRRESA-N 368.451 1.872 0 40 FDAB Cn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O 75166410 DFGOVAZVQSWZGA-CQSZACIVSA-N 370.409 1.042 0 40 FDAB CC(C)CNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217629989 SXRPFQWWCYZXSY-GFCCVEGCSA-N 356.444 1.910 0 40 FDAB CC(C)(C)OC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2N)CC1 310030129 XDKDCBDFIUQRCQ-UHFFFAOYSA-N 355.460 1.729 0 40 FDAB O=C(Cn1nc2c(N3CCCC3)nccn2c1=O)Nc1ccc(Cl)cc1 49399749 ISRXZYSBKSXDPO-UHFFFAOYSA-N 372.816 1.783 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058341 OXOYRJMYMCUJTE-RISCZKNCSA-N 372.418 1.047 0 40 FDAB CC(C)NC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225887751 ZJNORQXYRQKPER-UHFFFAOYSA-N 350.492 1.608 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12 40284746 WCBDTGXZRVZDII-UHFFFAOYSA-N 357.389 1.955 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225515256 VMPWVSHJCQKQGX-STQMWFEESA-N 354.410 1.445 0 40 FDAB O=C(Cc1ccco1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96209621 PJOXVJZFZBZHOQ-OAHLLOKOSA-N 358.398 1.049 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(C(=O)c1cccnc1)C2 96060785 OKFUBNWDIDBJSX-HNNXBMFYSA-N 364.409 1.562 0 40 FDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc2cnccc12 583306186 ZDFASOLYMUNBOW-RISCZKNCSA-N 350.396 1.393 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2ccc(CNC(=O)c3ccno3)cc2)N1 257204552 AVDJGIZOZKIUIC-QRTARXTBSA-N 356.382 1.711 0 40 FDAB Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)c(=O)n1 257236770 HDSGUVJCWLNQAC-LJCCNALRSA-N 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COCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408556052 BZLJNNIPPPBAID-ZDUSSCGKSA-N 350.440 1.659 0 40 FDAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 8706280 VEEHMKICKLBGSW-JOYOIKCWSA-N 359.430 1.887 0 40 FDAB COCCN1CCC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2ccnn2C)C1=O 306137260 QRARPRVTEKFWGT-HNAYVOBHSA-N 360.458 1.011 0 40 FDAB CCOC(=O)[C@@H](NCC(=O)NCCCN1CCCCCC1=O)[C@H](C)CC 95466657 FFTQRTMUODXBII-QAPCUYQASA-N 369.506 1.463 0 40 FDAB COc1cn(CC(=O)N2CCOCC2)c(CN2CCCCCC2)cc1=O 95476611 LXGARSWOVZSJQE-UHFFFAOYSA-N 363.458 1.092 0 40 FDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(c2ccc(F)cc2)CC1 73515710 RSFOLBLBCHNTHI-UHFFFAOYSA-N 373.432 1.259 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944788 YBTCEFCLFGKYJV-GFCCVEGCSA-N 369.468 1.959 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 306140631 UZGCIICVLOXTOP-SFHVURJKSA-N 373.482 1.247 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cc[nH]n1)C2 306141521 VZADVGPDXDZYCA-OAHLLOKOSA-N 355.442 1.558 0 40 FDAB C/C=C(\C)CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1 11812997 JPCJXTSTIHINKW-LNKIKWGQSA-N 373.457 1.772 0 40 FDAB COc1cc([C@H]2NCCC(=O)N2)cc(I)c1OC 408738670 UPECHAJCEHNUSK-LBPRGKRZSA-N 362.167 1.417 0 40 FDAB O=C(N[C@H]1CCc2ncc(C(=O)N3CCCCC3)n2C1)c1ccccn1 306138516 RZIKKFWLNOAXBW-AWEZNQCLSA-N 353.426 1.649 0 40 FDAB O=C(NCC[C@H]1CCOC12CN(C(=O)C1(F)CCC1)C2)c1ccncc1 306125648 CWWTVDDNOIFFKS-HNNXBMFYSA-N 361.417 1.711 0 40 FDAB CN1CCc2ccc(S(=O)(=O)NCc3nc(C(=O)O)cs3)cc21 547877014 IWIWNIDYYHUVNR-UHFFFAOYSA-N 353.425 1.312 0 40 FDAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NC[C@@H]4CCCO4)c3)c2)n1 65250882 HKMFLXFFXPQZPX-ZDUSSCGKSA-N 354.370 1.535 0 40 FDAB O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CCSCC1 408977924 ZOVLPXLQGIXTRC-UHFFFAOYSA-N 354.391 1.466 0 40 FDAB CC(C)OCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595163 ZNDYLXNZGQSKSG-UHFFFAOYSA-N 374.459 1.273 0 40 FDAB O=C(O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1 217381536 WDPOXZUGQOQCCB-UHFFFAOYSA-N 358.173 1.738 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccc(Cl)cc21 38832712 GADQZUOOBCVLTM-AWEZNQCLSA-N 358.847 1.880 0 40 FDAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3ccncc3)cc12 40309843 VMUKEJNYHDRUKS-UHFFFAOYSA-N 368.393 1.740 0 40 FDAB biogenic O=C(c1ccccc1Br)N1CCN(C[C@H](O)C2CC2)CC1 85436623 YVVBIFOMFLZDLR-HNNXBMFYSA-N 353.260 1.978 0 40 FDAB CN(C)[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514288415 DIHHCIVNYAWWDA-YESZJQIVSA-N 373.419 1.517 0 40 FDAB biogenic,in-vitro Cc1cc([C@@H]2CCCN2C(=O)NCc2ncccc2S(C)(=O)=O)on1 331603306 MFVUAHHDZWKDBP-ZDUSSCGKSA-N 364.427 1.828 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1ccoc1)CC2 96059487 XTZZKZUORDUFBX-UHFFFAOYSA-N 353.382 1.401 0 40 FDAB O=C(O)CCN(C(=O)c1ccc(-n2cncn2)c(F)c1)C1CCOCC1 584907998 NDCVCJDDSXFHPY-UHFFFAOYSA-N 362.361 1.502 0 40 FDAB CSCC[C@H](NC(=O)CCc1nnc2ccc(Cl)nn12)C(=O)O 96230809 SUXHECZZAZUEBE-QMMMGPOBSA-N 357.823 1.033 0 40 FDAB Cc1csc(CN2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1 96043123 VLCQDCDNWJYUPV-SOUVJXGZSA-N 351.472 1.985 0 40 FDAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)C1CC1 96296401 CPZHYOJGTBIINY-AWEZNQCLSA-N 355.394 1.746 0 40 FDAB biogenic,in-vitro CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccnnc1)C2 96050230 KAROTSRHENBPHP-LJQANCHMSA-N 351.410 1.040 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1nccn1C 584302367 BLOIPTSTCMYKEY-WMLDXEAASA-N 351.410 1.851 0 40 FDAB O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)CNC2=O)C1 244970123 HKSUTMFHAOQAJE-UHFFFAOYSA-N 358.181 1.135 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)no1 253480529 XLWZDSIQJNLLST-CYBMUJFWSA-N 354.428 1.039 0 40 FDAB O=C(CCc1cccnc1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257235455 GXYJKXVCJJPMEC-IBGZPJMESA-N 358.417 1.696 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257302091 SBMKMFFAXFNBAQ-IBGZPJMESA-N 358.486 1.673 0 40 FDAB Cc1nc(O)cc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257277968 OAEAVRJHAWMPIU-MRXNPFEDSA-N 359.382 1.528 0 40 FDAB CC(C)C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 257294279 QTJIGBCHAWAMPS-YRXWBPOGSA-N 361.486 1.979 0 40 FDAB CCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nc1C 257290552 QDKMMPPGHYTCDR-GDBMZVCRSA-N 360.458 1.267 0 40 FDAB COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C(C)C)sn1 606444738 MHEDKFGISBTDIF-MEBBXXQBSA-N 363.443 1.679 0 40 FDAB Cn1ncc(C2CCC2)c1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 613381907 RRMGTDMHZKIEFM-UHFFFAOYSA-N 366.487 1.374 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)CCc1cccc(OC)c1F 643947523 YFYQJQWFEMLPHP-GOSISDBHSA-N 352.406 1.521 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cnc(C(F)(F)F)nc2)N1C1CC1 663228621 FGCZVHMMXYOHOE-MNOVXSKESA-N 358.320 1.192 0 40 FDAB CNC(=O)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)cc1 569456882 NFBNXJRVNCFCEH-IUODEOHRSA-N 363.414 1.776 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C/C=C/c3cccc(F)c3)C2)C1 685942786 QHXDMMJRYTXCGF-KQIUPUNMSA-N 359.401 1.034 0 40 FDAB COc1ccc(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1OC 36103471 CZOCJTBGQPTJIF-UHFFFAOYSA-N 362.470 1.817 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCC3)C1)C2=O 19699800 BJVGBWQJIZHRIB-OAHLLOKOSA-N 362.474 1.184 0 40 FDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cccnc1Cl 5754474 BOXUJXYPBZSKQV-UHFFFAOYSA-N 372.768 1.696 0 40 FDAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5874510 FIXGJFFXAJEYFK-CYBMUJFWSA-N 358.394 1.974 0 40 FDAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C3=NNC(=O)CC3)C2)on1 13225937 UJIDBYINIUAZNW-JTQLQIEISA-N 374.426 1.474 0 40 FDAB CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)c2ccco2)c1=O 14164150 XPBLDZXCPYRUHK-UHFFFAOYSA-N 358.350 1.676 0 40 FDAB O=C1OI(=O)(O)c2c(F)c(F)c(F)c(F)c21 16698001 OPFKDVCBUPHSII-UHFFFAOYSA-N 351.977 1.793 0 40 FDAB Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCN(C)C3)ncc2C1 19238486 YTVADMOJFANTIJ-OAHLLOKOSA-N 354.458 1.376 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)cn1 19238857 RGSBAVCWUSGIFR-AWEZNQCLSA-N 353.426 1.616 0 40 FDAB NS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 10706085 OXIAZPFTSVTDMB-UHFFFAOYSA-N 352.843 1.987 0 40 FDAB CCc1cnc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nc1 1888897149 PRGWUFZVJSMJCO-ZIAGYGMSSA-N 350.430 1.288 0 40 FDAB c1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889098088 LYLHUXRDKUAROU-UHFFFAOYSA-N 351.458 1.682 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1259487099 WVKAJNUAFXWWDW-ZIAGYGMSSA-N 362.430 1.681 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H]2CCOC2=O)C(C)C)cc1 18408193 OEFYHVNEQNZFSU-KBPBESRZSA-N 355.412 1.157 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)cn1 1565546749 JPWDHNWKZHJIOE-UZLBHIALSA-N 370.453 1.788 0 40 FDAB O=C(N1CC[C@H]2[C@@H](CC1)OCCN2CCN1CCCC1)C1(F)CCC1 1565552727 UQFQZVKWVRBRGT-DLBZAZTESA-N 353.482 1.666 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccc(F)cc2)C1 2055772469 LHTMNUKCYXQGQF-LJQANCHMSA-N 374.416 1.507 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38490293 LLSLBQBUDZLNDZ-IRXDYDNUSA-N 351.406 1.463 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccnc(O[C@@H]3CCSC3)c2)CC1 225718544 JGXRAVHELPENNS-CQSZACIVSA-N 365.455 1.880 0 40 FDAB Cn1ncc2c(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)ncnc21 585629719 BVTLFQMNQXJCOQ-UHFFFAOYSA-N 365.441 1.714 0 40 FDAB Cn1cc(-c2noc(CNC(=O)c3ccc(Br)o3)n2)cn1 575615069 BMWHSMXGVKXAQG-UHFFFAOYSA-N 352.148 1.756 0 40 FDAB Cc1cc(=O)n2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)nc2[nH]1 9304533 GRNMGDNQTXURHP-UHFFFAOYSA-N 365.437 1.750 0 40 FDAB C[S@](=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 50536654 WPIAMWMKTKSKTG-QWXGXRTQSA-N 373.430 1.701 0 40 FDAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998397 KELJROXSZRAFSV-UHFFFAOYSA-N 365.842 1.882 0 40 FDAB O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1cccnc1)CN2 20573042 NHCFQVJBLKJOAJ-UHFFFAOYSA-N 369.812 1.959 0 40 FDAB Cc1cccn2c(=O)cc(CN3CCN(C(=O)c4ccccc4)CC3)nc12 32510970 HSUMZRZMDUEIRT-UHFFFAOYSA-N 362.433 1.961 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC2CC2)o1 32632809 HHADNFLYMNONAN-UHFFFAOYSA-N 350.352 1.701 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)NCc2nnc3n2CCCC3)CC1=O 41140370 IGMVENBNVRBFFI-HNNXBMFYSA-N 367.453 1.846 0 40 FDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](O)COCc1ccccc1F 32855896 RPRYPWITYQSEFQ-SJLPKXTDSA-N 372.396 1.866 0 40 FDAB CC(=O)N(Cc1cc2cc(C)c(C)cc2n2nnnc12)C[C@H]1COCCO1 1329011 NHJRMBVKEZEINK-KRWDZBQOSA-N 369.425 1.658 0 40 FDAB COc1ccc(CC(=O)NC[C@H](C(C)C)N2CCOCC2)c(OC)c1 42028575 KAEKZZDZSXMGAG-QGZVFWFLSA-N 350.459 1.719 0 40 FDAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC[C@@H]1CCCO1 6876236 ZNKUFIDWFDSENZ-AWEZNQCLSA-N 360.366 1.882 0 40 FDAB Cc1csc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)n1 22873487 JDJABECTEIJBNE-MRXNPFEDSA-N 362.386 1.996 0 40 FDAB Cc1c(NC(=O)CCC(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C 833221 JYHQBLRWDGUFLD-UHFFFAOYSA-N 372.425 1.062 0 40 FDAB Cn1nnnc1SCC(=O)/N=c1/cc(-c2ccc(Cl)cc2)[nH]n1C 104574666 VRUGAUNSWAQNOY-VBKFSLOCSA-N 363.834 1.417 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(-n3ccnc3)cc2)c1 8013584 FLMPZMRICYPPNL-UHFFFAOYSA-N 358.423 1.333 0 40 FDAB O=C(O)CNS(=O)(=O)c1cc(Br)ccc1Br 950292 WIBMIIRAIXSEAF-UHFFFAOYSA-N 373.022 1.575 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NC[C@@H]2CCCO2)c1C 1105095 GIMJXHSIIUHBDI-HNNXBMFYSA-N 354.472 1.494 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn1 12545526 AYTGFFJNNJLVCD-JTQLQIEISA-N 350.400 1.177 0 40 FDAB O=C(NC[C@H]1CCCCN1CC(=O)N1CCOCC1)Nc1ccccc1 26179191 OYQNUKVRRIKLHC-QGZVFWFLSA-N 360.458 1.521 0 40 FDAB COc1ccccc1CCNC(=O)CN1CCN(c2ccccc2O)CC1 57617193 GGIBCEGNVMITLJ-UHFFFAOYSA-N 369.465 1.882 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)CNc2cccc(O)c2)C1 104207785 NIESREDNVAQROX-RLFYNMQTSA-N 355.438 1.446 0 40 FDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@H]1CCS(=O)(=O)C1 58017441 REKCXMJSLUFEGQ-URZJAHPPSA-N 368.499 1.012 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC)c2)CC1 57379400 UCMZVFMCRBPWSK-UHFFFAOYSA-N 354.428 1.010 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1cc(F)ccc1F 58181764 ZFGXEDYAQARLLF-UHFFFAOYSA-N 372.368 1.741 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(CC(=O)NCc2ccccc2)CC1 58213823 NTLYGSNIFKLGMM-UHFFFAOYSA-N 372.494 1.962 0 40 FDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 58218982 GUUMHIGIAXVKDN-AWEZNQCLSA-N 356.426 1.160 0 40 FDAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(F)c1 10507303 SQFNDMNMQKTNTF-ZDUSSCGKSA-N 367.439 1.799 0 40 FDAB O=C1NCCCC[C@H]1Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1 10879938 JSEIMGBRXSLGKT-ZIAGYGMSSA-N 365.503 1.818 0 40 FDAB C[C@@H]1CN(C(=O)C2CCN(Cn3c(=O)oc4ccccc43)CC2)C[C@@H](C)O1 45801746 RVGUAIHHMLJMSZ-HUUCEWRRSA-N 373.453 1.900 0 40 FDAB CCOc1ccc(CO[C@H]2[C@@H]([C@@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]23)cc1 11852636 WHHIIMRGPWDFLO-DMRKSPOLSA-N 354.399 1.200 0 40 FDAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 13278487 PYGMMXQKWMLYSI-UHFFFAOYSA-N 359.363 1.306 0 40 FDAB NC(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14183292 HMAWFZHYUKCCEZ-SFHVURJKSA-N 373.478 1.361 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NC(=O)Nc1ccc2c(c1)OCO2 14116021 JRSDWXIMRAQXGF-UHFFFAOYSA-N 372.362 1.535 0 40 FDAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 14244828 MBFJGDVOUDEMPZ-MRXNPFEDSA-N 362.407 1.398 0 40 FDAB COC(=O)c1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 4957720 QZBYXDNMDPMVMX-HNNXBMFYSA-N 357.362 1.808 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CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231644990 ADFSMYPLWQQDJX-GPINWOSQSA-N 362.401 1.803 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 96205916 WEMDHMFVPWZMNM-UYAOXDASSA-N 354.454 1.974 0 40 FDAB O=C([C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCOCC1 247840442 FGEASTXKDKXFGM-MRXNPFEDSA-N 370.409 1.028 0 40 FDAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)C1CCOCC1 257295819 RAAMGHBVCLTJDE-NCOADZHNSA-N 353.390 1.000 0 40 FDAB C[C@@H]1COC(=O)N1c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257331432 XSVAOLBEHJNION-LLVKDONJSA-N 354.432 1.036 0 40 FDAB CN([C@H](C(=O)N1CC(=O)Nc2ccccc21)c1ccccc1)S(C)(=O)=O 260793489 KEZFIEXZOYFKAW-KRWDZBQOSA-N 373.434 1.604 0 40 FDAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646663340 ZLRAXABJHSHLGY-DZJNRPSUSA-N 350.418 1.889 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@](F)(c2ccccc2)C1 669880781 BEEDGDQFOZQNIH-DOTOQJQBSA-N 354.447 1.898 0 40 FDAB CNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 677419490 JNQSYDWRRLBOOR-UKRRQHHQSA-N 351.403 1.441 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccccc2C2CC2)CC1 678193611 JSHINFDCHBNULR-UHFFFAOYSA-N 355.438 1.357 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1CC2(CCNCC2)[C@H]2COC[C@H]21 1615592694 ZCADKYWDQITBBH-ZWKOTPCHSA-N 373.497 1.354 0 40 FDAB O=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc3ccccc3c2)C1 575421557 KCBBPZLYDLPFRQ-HNNXBMFYSA-N 369.464 1.010 0 40 FDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1ccccc1)C2 585102898 HHPKXOMVXVHGHI-INIZCTEOSA-N 359.451 1.545 0 40 FDAB COc1ccc(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)cc1 585105540 ZFFOJJZDESPVCC-HNNXBMFYSA-N 354.472 1.225 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)CC1CC1 585096480 PKKYGOYIBXZEBU-CYBMUJFWSA-N 353.426 1.911 0 40 FDAB O=C(Cc1cc(C(F)(F)F)ccn1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941510 DGXCISSIMKRLPO-QWHCGFSZSA-N 356.304 1.329 0 40 FDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]3CO[C@@H]2O3)c1 952844993 XUMGGEYSXREOAU-DGXTUMSLSA-N 362.361 1.178 0 40 FDAB biogenic,in-vitro CC(C)C[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)NCCO 84575083 ZGOYZBKLPHSUTE-HNNXBMFYSA-N 370.515 1.786 0 40 FDAB CC(=O)N1CC2(C1)[C@@H](C(=O)N1CCCC1)c1ccccc1C(=O)N2C(C)C 1549174380 AQVKPEDOFWLIAZ-GOSISDBHSA-N 369.465 1.858 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)no1 1615156550 KTHHEYIQOSVVNR-GOSISDBHSA-N 359.357 1.770 0 40 FDAB Cc1ncoc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153831 FIPQIECMOMFRIT-SFHVURJKSA-N 359.357 1.770 0 40 FDAB Cn1cncc1[C@@H]1CNC[C@H]1CNC(=O)c1ccc(N2CCCC2)nc1 1615589617 IXBKXFWUPMLQJG-JKSUJKDBSA-N 354.458 1.148 0 40 FDAB COCCOC(=O)Cn1nc2c3c(C)c(C)sc3nc(C)n2c1=O 12144890 YURXCPLCRYGMIE-UHFFFAOYSA-N 350.400 1.221 0 40 FDAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCN(c2ccccn2)CC1 12409088 HEXDJTZXKFOFCO-UHFFFAOYSA-N 369.816 1.673 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccnc2)CC1 16499718 CMTOHFQBTBSKBZ-UHFFFAOYSA-N 364.427 1.726 0 40 FDAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)N1CCOCC1 19345950 VKYXJUNFOYJNPV-UHFFFAOYSA-N 362.817 1.591 0 40 FDAB CCn1ccc(NC(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)n1 19746356 AIFYZFDVEKCKDF-UHFFFAOYSA-N 357.414 1.376 0 40 FDAB CN1CCN(C(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)CC1 19819708 CUMUOXKZCPKMBT-UHFFFAOYSA-N 371.890 1.658 0 40 FDAB CCCN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 643585365 CNVACFDSFYBICJ-GGPKGHCWSA-N 358.438 1.379 0 40 FDAB CO[C@H]1[C@H](CNC(=O)COc2cc(C)ccc2Cl)COC[C@H]1OC 643585642 VGZSOCHGJPGVSR-VMGRFDJRSA-N 357.834 1.820 0 40 FDAB O=C(Cc1ccc(F)cc1F)N1CCN(C2CCS(=O)(=O)CC2)CC1 239612029 FHWLKUTVIKWRDM-UHFFFAOYSA-N 372.437 1.229 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 11591302 HCRYHSPWHOSFCH-RCDCFZSISA-N 371.437 1.911 0 40 FDAB O=C(CSc1ncnc2sccc12)NCCN1C(=O)CSC1=O 6115398 RMFLZJLLCUKGHL-UHFFFAOYSA-N 368.465 1.595 0 40 FDAB Cn1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c2ccccc2c1=O 13224441 NENSPHOIRQZNCG-OAHLLOKOSA-N 351.362 1.879 0 40 FDAB CCc1cnc(N2CCN(c3ncnc4c3ncn4CCOC)CC2)nc1 1888897938 AWZBXMPVYKDXMK-UHFFFAOYSA-N 368.445 1.152 0 40 FDAB Cc1cc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)ncn1 1889138761 CEVWVXNVWZLRPM-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1ccc(NC(=O)CCN2CCN(CCO)CC2)cc1Br 20507149 CIEKAAMVMFTZSC-UHFFFAOYSA-N 370.291 1.696 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)CC1=O 1614933909 KNFLYLQBNNOFGS-SFHVURJKSA-N 361.442 1.548 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 1565549465 XIFCUIFCIPHWGB-YLJYHZDGSA-N 359.470 1.180 0 40 FDAB O=C(c1cnn2ccccc12)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 1565554863 HOUPNYPDZUMVIH-CKEIUWERSA-N 354.410 1.186 0 40 FDAB O=c1c2ccccc2n(Cc2nc(-c3ccccn3)no2)c(=O)n1C1CC1 1775965507 ANGWPJAYYKEEBI-UHFFFAOYSA-N 361.361 1.991 0 40 FDAB O=C(CSc1ccc(F)cc1)NCCn1c(=O)[nH]c2ncccc2c1=O 225795286 CEEBOQKXUYZWHI-UHFFFAOYSA-N 374.397 1.132 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(N(C)C)CCCCC2)C1 40091872 OQEZQMGPKDNJFJ-MRXNPFEDSA-N 373.563 1.819 0 40 FDAB C[C@@H](CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)Cn1cccn1 50151705 SNTNGULXTDMHNR-KBPBESRZSA-N 364.471 1.983 0 40 FDAB CC(C)NC(=O)NC(=O)COc1ccccc1I 31656444 KEDDWMSWXHGTAW-UHFFFAOYSA-N 362.167 1.904 0 40 FDAB O=C(NCC(=O)[C@@H]1N=C(c2ccc(F)cc2)OC1=O)c1ccc(F)cc1 101275269 HYZSJPJXHUKONP-HNNXBMFYSA-N 358.300 1.636 0 40 FDAB CCCNC(=O)NC(=O)CNc1cccc(Cl)c1N1CCOCC1 32770400 SOVGNSUNSDEVPC-UHFFFAOYSA-N 354.838 1.824 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)NCCc1cn2c(n1)CCCC2 32803551 MMAGTEZDXMTFNA-UHFFFAOYSA-N 355.442 1.702 0 40 FDAB Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)o1 32816086 CVEDGPJMCDMBLX-UHFFFAOYSA-N 368.411 1.474 0 40 FDAB CCC(CC)N(CCOC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 32935854 JETPXMRCKPZKRN-UHFFFAOYSA-N 364.489 1.160 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)CNC(=O)c2ccco2)cc1 32902596 NDQXEFHRURDSIU-UHFFFAOYSA-N 352.350 1.613 0 40 FDAB CCc1c(C(=O)NCC(=O)NCC(F)(F)F)cnn1-c1ccc(F)cc1 47179412 XKPUQZZMKUBASO-UHFFFAOYSA-N 372.322 1.982 0 40 FDAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2043869 JAYSVKFHIVDCNG-INIZCTEOSA-N 361.423 1.020 0 40 FDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 6204474 JCZPWIQDRYOGFM-CYBMUJFWSA-N 370.471 1.631 0 40 FDAB CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23017489 HNZQYTVYTXCXMS-AWEZNQCLSA-N 368.455 1.479 0 40 FDAB CN(C)C(=O)CN(C)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 10440307 ZPYPTVQMMJMQRP-UHFFFAOYSA-N 373.482 1.783 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc12 24032704 YLNHJVYKPLZESQ-ZIAGYGMSSA-N 369.425 1.781 0 40 FDAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(N2CCOCC2)nc1 24014402 FYPBRYZHQKAMEA-UHFFFAOYSA-N 370.409 1.052 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H]1CCCc2ccccc21 100290522 UDICIPZKIVPQEI-KYYHFZFISA-N 350.418 1.987 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(C)CC3)cc2C[C@@H]1C 20449187 YDTUZYFQLIAGJY-ZDUSSCGKSA-N 351.472 1.175 0 40 FDAB COc1cccc(CNC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 24808859 AWRSIIRCGJFOKW-UHFFFAOYSA-N 366.421 1.680 0 40 FDAB C[C@@H](OC(=O)c1cc(Br)cc(Br)c1N)C(N)=O 12536732 CEKSYOHEECORDS-SCSAIBSYSA-N 366.009 1.824 0 40 FDAB COc1ccc(-n2ccc(CNC(=O)CCNC(=O)[C@@H]3C[C@H]3C)n2)cc1 55613421 QQPUOCBLTGASMN-CXAGYDPISA-N 356.426 1.659 0 40 FDAB O=C(Cn1nnc2ccccc21)Nc1ccc(CN2C(=O)CCC2=O)cc1 25683203 QFZLVMAMMDXLLC-UHFFFAOYSA-N 363.377 1.719 0 40 FDAB Cn1c(=O)c2c(nc(O)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 1514734 PSPYKMFFZNWOOO-UHFFFAOYSA-N 355.181 1.494 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 102014711 PBQSOYUQUYWTCE-LUKYLMHMSA-N 353.378 1.607 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@]12C(=O)Nc1ccc(C)cc12 58724164 VNPMHEVLMQLUQN-HXUWFJFHSA-N 364.405 1.438 0 40 FDAB CC(C)COc1cccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 58282418 CDPDIGGHMUEBFM-MRXNPFEDSA-N 368.499 1.457 0 40 FDAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCNC3=O)n2)c(OC)c1 58216854 NJZOYZFCDAEOIL-UHFFFAOYSA-N 363.399 1.133 0 40 FDAB CN(Cc1cccs1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911662 XBPXRYMPGYZNOK-UHFFFAOYSA-N 373.356 1.686 0 40 FDAB Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1-n1cnnn1 48300083 RPJIETCNMCIMHA-UHFFFAOYSA-N 361.369 1.263 0 40 FDAB CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2382968 CYIZJOKSXQBCKE-KRWDZBQOSA-N 360.439 1.907 0 40 FDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1c(C)noc1C 3448749 ZZYDKMKJGBMWPD-UHFFFAOYSA-N 368.367 1.865 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997665 YPZDHPFKNQQTKU-LLVKDONJSA-N 360.457 1.138 0 40 FDAB O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2621037 PGTXLZAKJGWQAL-UHFFFAOYSA-N 373.887 1.957 0 40 FDAB Cc1ccc(F)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12910637 TYIVESXSFUGQBN-NSHDSACASA-N 367.402 1.238 0 40 FDAB O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CN2CCC[C@H]2CO1 64334039 XTFAFYSXDMFUBN-LSDHHAIUSA-N 358.467 1.727 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 24858242 IKFYHIOQTGFGHI-ZIAGYGMSSA-N 356.378 1.738 0 40 FDAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1cccnc1 64837190 UMEQNPUPNRDLLU-UHFFFAOYSA-N 370.434 1.873 0 40 FDAB Cc1nc(C)c(CCC(=O)NCc2ccccc2-n2ccnc2)c(=O)[nH]1 65737992 XYPGWRJWCABPDH-UHFFFAOYSA-N 351.410 1.821 0 40 FDAB COc1cc2c(cc1OC)CN([C@@H](C)c1nc(N)nc(N(C)C)n1)CC2 14201812 ZGJUPYVHHIFQAD-NSHDSACASA-N 358.446 1.656 0 40 FDAB CCC(N[C@H](C)CCCN(CC)CC)=C1C(=O)N(C)C(=O)N(C)C1=O 19706829 UVUVCLRDGUNOAN-CYBMUJFWSA-N 352.479 1.801 0 40 FDAB CS(=O)(=O)c1cc(F)c(N2CCCNCC2)cc1Br 19735973 MITWQPBEXDXDIE-UHFFFAOYSA-N 351.241 1.791 0 40 FDAB COc1ccnc(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)n1 80382768 BHCDVKWGAVLNQW-UHFFFAOYSA-N 358.446 1.117 0 40 FDAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN(C)C(C)C)cc1 68353897 WOUFGTJJVITCFV-OAHLLOKOSA-N 351.472 1.875 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1 81067478 XWDSRCUHRIVCSH-CYBMUJFWSA-N 352.378 1.436 0 40 FDAB Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCC(C)CC2)n1 98212034 BJKXRINNWMNQMU-UHFFFAOYSA-N 365.459 1.343 0 40 FDAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 9910398 PACSTLSDWTUYIC-UHFFFAOYSA-N 355.394 1.640 0 40 FDAB CN(C)C(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 75699480 VJELJWYSTISVIH-UHFFFAOYSA-N 374.489 1.310 0 40 FDAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCO 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CC[C@H](C)[C@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)n1cnnn1 1615151897 HPGMQCJFVCEWRK-OFQRWUPVSA-N 368.445 1.709 0 40 FDAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2cccc3cccnc23)CCO1 585278211 NGYCXDRVHPPTEL-IBGZPJMESA-N 357.410 1.229 0 40 FDAB CO[C@H](CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O)C1CCCC1 585097986 FPHAXSWYOVYNJH-DNVCBOLYSA-N 359.426 1.758 0 40 FDAB Cc1nccc(N2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)n1 546108823 GAMWWJKRTBFKEX-UHFFFAOYSA-N 350.426 1.632 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)N1C1CC1 630658472 YXSYYZVWJZZWPA-SJORKVTESA-N 354.410 1.569 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(N)s2)c(C)c1 5636371 HJGWUXLQKXOEEN-UHFFFAOYSA-N 365.484 1.893 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cnn(C)c1)CC2 12852265 DKIXZUQREABCKM-UHFFFAOYSA-N 359.382 1.179 0 40 FDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 16682739 QHNGOGPWNUBQKB-UHFFFAOYSA-N 368.455 1.109 0 40 FDAB O=C(C1CC1)N1C[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)[C@H]2C1 19331161 HSQMPPRFOBBNEM-CJNGLKHVSA-N 352.431 1.847 0 40 FDAB 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FDAB O=C(Cc1ccc(F)cc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772704 RRIYMKHEFHAGMB-UHFFFAOYSA-N 370.428 1.815 0 40 FDAB O=C(Cn1ncccc1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 585305319 XFGJNWOXFWJKMA-GFCCVEGCSA-N 367.331 1.052 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1 208033758 VCKRYJCSKSVBQU-UHFFFAOYSA-N 369.424 1.773 0 40 FDAB Cc1cc(N2CCN(c3cccc(OC(C)C)n3)CC2)n2ncnc2n1 2298071715 IRSKUJUCKLJLPF-UHFFFAOYSA-N 353.430 1.942 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)n1 19237997 SIJFFSUANDAWGZ-UKRRQHHQSA-N 354.458 1.279 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)C[C@@H](C)O1 40089343 KUHGNMQAEYRAFR-TXEJJXNPSA-N 360.863 1.509 0 40 FDAB C[C@H]1c2cccn2CCN1C(=O)CCn1nc(O)c2ccccc2c1=O 30264059 BYPFYJCEYRYVIO-ZDUSSCGKSA-N 352.394 1.897 0 40 FDAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(OC)c1 20170705 YDEBEDVOZMLDIS-UHFFFAOYSA-N 362.455 1.925 0 40 FDAB COc1c2c(c(S(=O)(=O)N3CCCC3)c3c1OCO3)CCN(C)C2 40313323 FCHCPOJUCKWMKG-UHFFFAOYSA-N 354.428 1.196 0 40 FDAB biogenic 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1.636 0 40 FDAB COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 7725807 NDUTUMMQWMLKEA-UHFFFAOYSA-N 362.407 1.699 0 40 FDAB O=C(NC[C@H]1CCCO1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 819422 DIXZIYPBWQQWHW-NVXWUHKLSA-N 358.369 1.707 0 40 FDAB CN(CCc1ccccn1)C(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952648 YTRXXOKWFLPKNP-UHFFFAOYSA-N 352.394 1.176 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4[C@@H]3[C@@H]2[C@@H]2[C@H]1C42c1ccccc1 104284701 OJBCEBJEDIRAOB-UZAIHAELSA-N 355.397 1.970 0 40 FDAB Cc1ccc(C(=O)NCCCN(C)C)cc1S(=O)(=O)N1CCCC1 10111473 IOBKCTBAJLPXBG-UHFFFAOYSA-N 353.488 1.461 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3[C@H]2C)CC1 54421049 ORWLQOGDXYPJIF-GFCCVEGCSA-N 373.500 1.686 0 40 FDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCCC(=O)N(C)C 47513965 ITURKQJVEIIOMH-HNNXBMFYSA-N 355.385 1.314 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 23929479 PEUDPQHYNCPROK-UHFFFAOYSA-N 373.497 1.786 0 40 FDAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)cc1 12526294 GVLNZPSBDKGCDF-JXMROGBWSA-N 359.407 1.809 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCCC3)C2=O)cc1 8844945 LWMZDVMQYGQNHO-IBGZPJMESA-N 359.426 1.911 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2occc2C)CC1 58186452 HVSJQEWXQJMSIA-GFCCVEGCSA-N 350.419 1.016 0 40 FDAB CCn1cc(C(=O)OCC(=O)NCc2ccco2)c(=O)c2ccc(C)nc21 3221044 VMZQJQNWXZQFJA-UHFFFAOYSA-N 369.377 1.791 0 40 FDAB C[C@H](CNC(=O)[C@H](C)N1CCN(c2cnccn2)CC1)c1ccccc1 27631726 SJJWGUWKCBJSAW-SJORKVTESA-N 353.470 1.907 0 40 FDAB C[C@]1(c2ccsc2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 58264648 CVVVXAZTTMAYLD-MRXNPFEDSA-N 354.395 1.691 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2Cc3ccccc3O2)cc1 28003194 QEIKDIXQZBKLLC-QGZVFWFLSA-N 360.435 1.393 0 40 FDAB CC(C)CNC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58407086 XSSTXRLJUUZJGV-LJQANCHMSA-N 373.545 1.688 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CSc2nncn2C2CC2)cc1 10649719 WGTOZWJSHJVUTO-UHFFFAOYSA-N 352.441 1.747 0 40 FDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3cccnc3-n3cccn3)cc21 48237262 DRNBBSNFVBIPAG-UHFFFAOYSA-N 363.377 1.405 0 40 FDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 36394738 OPJAXWXGPABBSB-KFWWJZLASA-N 368.499 1.719 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccs1 102076472 YAISYCFMNVFTIF-LJITYGPFSA-N 371.414 1.527 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 11328134 AVLFAIACXBANMG-UHFFFAOYSA-N 369.381 1.336 0 40 FDAB Cc1cc(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)no1 11367826 IGWFMCLJSOIDAN-UHFFFAOYSA-N 364.431 1.477 0 40 FDAB O=C1NCCN1[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 48325037 LZEJDYNILAKMRA-VIFPVBQESA-N 355.324 1.137 0 40 FDAB COc1cc(OC)nc(NC(=O)COC(=O)c2ccc(Cl)cc2)n1 3421586 FRMJKUMBDNPAEP-UHFFFAOYSA-N 351.746 1.943 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NC(=O)NCc1ccco1 3459768 GIPNVEIMCJHTER-UHFFFAOYSA-N 360.322 1.234 0 40 FDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 3520802 XYKGDCCVEQRKLR-JTQLQIEISA-N 368.436 1.888 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 13060812 GBLIGUQUUBDGAI-KBPBESRZSA-N 369.487 1.293 0 40 FDAB O=C(O)c1cccc(S(=O)(=O)NCc2ccc(-n3cccn3)nc2)c1 13252559 MRAIWYLWNMJRNW-UHFFFAOYSA-N 358.379 1.444 0 40 FDAB COc1ccc(-c2nc(CC(=O)NCCN3CCOCC3)cs2)cc1 14184774 IRJRWTNVRWJHQA-UHFFFAOYSA-N 361.467 1.810 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1 4778699 OSTHMTCPLOEZDP-CQSZACIVSA-N 353.444 1.100 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 5850436 HXTSOTCBKQPZRP-CJNGLKHVSA-N 362.426 1.663 0 40 FDAB Cc1cccc(OCCS[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 15492277 QVOKEQSLEPUDCU-ZIAGYGMSSA-N 357.497 1.799 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16025027 VNURPNKDOYXSEL-KQHKXDBJSA-N 361.829 1.879 0 40 FDAB CCOc1cc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)ccc1OC(C)C 7720131 AEEFAIHFOQRICZ-UHFFFAOYSA-N 370.409 1.832 0 40 FDAB COc1ccc(-c2nc3s/c(=C/c4ccco4)c(=O)n3n2)cc1OC 68560328 WWQGIFFTJRJELC-NTEUORMPSA-N 355.375 1.976 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O 7814335 ZNEZGVBZOGXFDR-UHFFFAOYSA-N 350.444 1.956 0 40 FDAB COc1cccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)c1OC 16737148 NCTLIYGUDZZNDD-LCYFTJDESA-N 355.375 1.976 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c1C 8326072 DNVUGUADPQWSIK-SNVBAGLBSA-N 365.386 1.342 0 40 FDAB O=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)Nc2ccncc2)c1 97165295 ZEJVWLLKMLKWDV-UHFFFAOYSA-N 367.452 1.571 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(C(=O)O)CCCC1 95969641 DBHVXRCVADPHSV-JTQLQIEISA-N 358.391 1.006 0 40 FDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccccc1C(F)(F)F 95997651 BGFCTGPQQJMMDD-HZMBPMFUSA-N 358.360 1.939 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)n2ncnc2n1 306127266 FTNGHYOSXDZBRZ-OAHLLOKOSA-N 366.425 1.892 0 40 FDAB CNc1snc(C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 21761910 BTPNHIMHVYDTMQ-UHFFFAOYSA-N 371.440 1.376 0 40 FDAB COc1nn(C)cc1C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 38754880 YHYMJCLPZITIKU-UHFFFAOYSA-N 356.338 1.742 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)NCC(C)C 408594305 PSLWZWOWERCKJI-AWEZNQCLSA-N 354.472 1.838 0 40 FDAB CCCS(=O)(=O)N1CCN(CCNC(=O)c2ccccc2C)CC1 72242749 JVRDKAINRAJCJP-UHFFFAOYSA-N 353.488 1.082 0 40 FDAB CN1CCN(C(=O)CSc2nnc(COc3ccccc3F)o2)CC1 75345603 IFTOMFNXTNYPAE-UHFFFAOYSA-N 366.418 1.654 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 35898169 IPAVQMVJBOUHJL-VRKREXBASA-N 357.341 1.663 0 40 FDAB COc1c(C)cccc1C(=O)N1CCc2nnc([C@H]3CCCNC3)n2CC1 72370895 KTMNAAXYVGDKHS-HNNXBMFYSA-N 369.469 1.761 0 40 FDAB COc1ccccc1N1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35315954 NALOSLFFDJKWAV-UHFFFAOYSA-N 350.426 1.948 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2=NN(C)C(=O)CC2)c1C 36882718 KLTXMVMYQNIGEM-UHFFFAOYSA-N 366.443 1.100 0 40 FDAB O=C(CSc1ccc(F)cc1)NCCn1nnc2ccccc2c1=O 225797209 FIKJZVXEBDTMJG-UHFFFAOYSA-N 358.398 1.839 0 40 FDAB CCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222662337 MGRWWEHQVDYXJV-UHFFFAOYSA-N 357.410 1.772 0 40 FDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148900 XDPRCKHLOCPUTG-XIKOKIGWSA-N 365.389 1.778 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1C 75162129 YJLGJZVQGGCLKN-UHFFFAOYSA-N 364.427 1.431 0 40 FDAB Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc2c(c1F)CCNC2 570625245 HIQXLBXZLBGRNR-UHFFFAOYSA-N 354.389 1.951 0 40 FDAB COc1ccc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)cc1F 225632618 NWNUYDARYZQFSM-UHFFFAOYSA-N 373.388 1.245 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCn2ccnc2)s1 224255187 DDXNTLHSIDCTNF-UHFFFAOYSA-N 372.476 1.088 0 40 FDAB C[C@@H]1COc2ccccc2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 333402401 YWMSIXSYHBTEHM-CQSZACIVSA-N 368.441 1.701 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)OCCN(CCO)c1ccccc12 96080319 BBHVVSSCAZVTKV-UHFFFAOYSA-N 356.470 1.740 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccncc4)C3)C2)cn1 96207987 CVQHPXADBHZNTG-IEBWSBKVSA-N 355.442 1.369 0 40 FDAB CC(C)NC(=O)N1CCOC[C@@]2(C1)CN(c1ccsc1)C(=O)CO2 96240207 GKIVPGIAOWQAAK-MRXNPFEDSA-N 353.444 1.300 0 40 FDAB Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(S(C)(=O)=O)C3)n1 96040166 ZXLACSUWMROTBZ-SJORKVTESA-N 354.472 1.737 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)c1 248168571 UFSSVFBIMMWAIU-GOEBONIOSA-N 354.472 1.411 0 40 FDAB COc1ccc(N2C[C@H](c3cc(O)n4ncc(C(N)=O)c4n3)CC2=O)cc1 257308681 TXRURKPAVMKNMJ-SNVBAGLBSA-N 367.365 1.063 0 40 FDAB COc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)c1 257250521 JMWQIFFOMINFRQ-LJQANCHMSA-N 356.426 1.589 0 40 FDAB CC(=O)NCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257289012 PWQGLYNGZQUKGQ-KRWDZBQOSA-N 363.433 1.548 0 40 FDAB CCOc1ccc2nnc(CNC(=O)c3cc(-c4cccnc4)on3)n2n1 253472912 QPSPDYJBKOVNQY-UHFFFAOYSA-N 365.353 1.503 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CCc1cccnc1 257333199 YAORNRNBZNORSB-HXUWFJFHSA-N 354.454 1.899 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCCN 257271854 NABLTHULMBUWAH-FQEVSTJZSA-N 371.485 1.549 0 40 FDAB Cn1cc(-c2noc([C@H]3CCc4nnn(C5CCC5)c4C3)n2)c(O)nc1=O 1775960241 ANYHKYGYVGQRTA-VIFPVBQESA-N 369.385 1.125 0 40 FDAB COc1ccc(Cn2nnc(C(=O)N[C@@H](C)c3nccn3C)c2C)cc1 620609160 BPNKHHGEIVTTHY-LBPRGKRZSA-N 354.414 1.868 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(Oc3cnccn3)cc2)C1 643757492 NMOJSBIFLUJDPT-IBGZPJMESA-N 356.426 1.732 0 40 FDAB COC[C@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1ccc(OC)cc1 643879122 KVGRHZDLTACGDK-SFHVURJKSA-N 350.415 1.219 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCc2cnn(-c3ccccc3)c2)N1C1CC1 630658470 YXSYYZVWJZZWPA-IRXDYDNUSA-N 354.410 1.569 0 40 FDAB COc1ccc([C@H](CC(=O)NCCN(C)C)c2oc(C)cc(=O)c2O)cc1 1547139317 NEMOFCOLINZQNV-INIZCTEOSA-N 374.437 1.862 0 40 FDAB biogenic CNC(=O)CC[C@]1(OC)CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 1615084277 JYNVTIUNTRGYCN-HXUWFJFHSA-N 372.469 1.719 0 40 FDAB CCC(=O)Nc1ccc(NC(=O)CSc2nc(=O)c(C)n[nH]2)cc1C 5009394 XDOSFCITGXOMSM-UHFFFAOYSA-N 361.427 1.861 0 40 FDAB CC(C)CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085955 NDZOKSVQSXWFMN-JLTOFOAXSA-N 372.469 1.711 0 40 FDAB Cc1cnc(-c2nc(N3CCNC(=O)C3)ncc2-c2onc(C)c2C)cn1 12156305 DLIZOXCGEQUFLZ-UHFFFAOYSA-N 365.397 1.450 0 40 FDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4CCCCC4)nc3c12 12182056 OWNCFGKXIOWKJS-UHFFFAOYSA-N 359.455 1.989 0 40 FDAB CCCCCn1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 13281284 WNHPOKBUEUFWJX-BETUJISGSA-N 363.462 1.223 0 40 FDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCOC(C)C 13582960 ZEWRSMCBJALMBF-UHFFFAOYSA-N 358.460 1.636 0 40 FDAB COC(=O)c1sccc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 13690121 NKCBMUFZMLLGRP-LBPRGKRZSA-N 362.407 1.193 0 40 FDAB CC(C)C[C@H](N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1 19446771 RNGZHWBZQCMGHC-KRWDZBQOSA-N 371.485 1.517 0 40 FDAB CCn1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cn1 19524980 NYTSSJFZRWMXQH-UHFFFAOYSA-N 366.462 1.857 0 40 FDAB CCN1CCN(C(=O)NCC2CCN(c3ccnc(C)c3)CC2)C(=O)C1=O 240104317 UPWYLQNWBOFNNN-UHFFFAOYSA-N 373.457 1.007 0 40 FDAB O=C(NC1CCOCC1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888870071 IQLSHZBBOVHMJJ-ACJLOTCBSA-N 364.421 1.985 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888913641 IZWLCODMSQBCFX-ZIAGYGMSSA-N 366.450 1.932 0 40 FDAB Cc1cc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)nccn2n1 1889186486 PUTSJASLMBHJOW-HZPDHXFCSA-N 361.405 1.659 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565551620 UAEWQTHFZKWKNA-CAOSSQGBSA-N 358.442 1.321 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3csnn3)CCO2)C1=O 1565549528 YYEZLXHBVLLUJG-SUMWQHHRSA-N 358.423 1.005 0 40 FDAB COC(=O)[C@@]1(C(F)(F)F)CC(=O)CCN1S(=O)(=O)c1ccccc1 2601302 PQJJJHKDFIGXNC-CYBMUJFWSA-N 365.329 1.514 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)c1 4249806 ZLQWKDRVQKPFNZ-UHFFFAOYSA-N 358.383 1.107 0 40 FDAB CCn1c(=O)c2c(nc3n2CC(C)=NN3CCc2ccccc2)n(C)c1=O 8706250 UAZGNPQTKJAJEZ-UHFFFAOYSA-N 366.425 1.355 0 40 FDAB CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccc(OC)cc2)cc1 9570508 WXAVAQOCBSOFRP-UHFFFAOYSA-N 367.409 1.929 0 40 FDAB CCOc1ccc(OCC)c(S(=O)(=O)NCCn2ncccc2=O)c1 11856394 UXRRLBHQOWRYMS-UHFFFAOYSA-N 367.427 1.019 0 40 FDAB Cc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 13847781 HBNCHONJZVIUKH-UHFFFAOYSA-N 372.454 1.252 0 40 FDAB O=C(Cc1cn[nH]c1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 2055746259 HALBLURVDIFLRJ-QGZVFWFLSA-N 351.410 1.627 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)cn1 2055751255 AUTJHQAEHJYXEF-FQEVSTJZSA-N 367.453 1.960 0 40 FDAB FC(F)(F)c1cc(N2CCN(c3ccc4nncn4n3)CC2)ncn1 575617169 QANWSASJOWCNBC-UHFFFAOYSA-N 350.308 1.260 0 40 FDAB O=C1CSC(=O)N1C1CN(S(=O)(=O)Cc2ccccc2Cl)C1 585325549 XTYISSYHQMOVMD-UHFFFAOYSA-N 360.844 1.549 0 40 FDAB CC(C)OCCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12220262 DAMZHSLOSUTSPZ-KXBFYZLASA-N 365.474 1.632 0 40 FDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40025441 WTVMEFRTNITIAA-QGZVFWFLSA-N 354.410 1.540 0 40 FDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31370809 FGBIBDDWEWLIAS-NVXWUHKLSA-N 351.406 1.550 0 40 FDAB CCOc1ncccc1CNC(=O)CN1C(=O)CCOc2ccccc21 31324441 JUGDOHHWYSLGII-UHFFFAOYSA-N 355.394 1.912 0 40 FDAB Cc1ncsc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 52563285 PSIMDUGQUKXZCD-UHFFFAOYSA-N 355.427 1.390 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 32916591 NCYAIEIQFBOSAP-CYBMUJFWSA-N 372.512 1.125 0 40 FDAB Cc1[nH]c(C(=O)N[C@H](C)CN2CCOCC2)c(C)c1C(=O)OC(C)C 32931462 YWVARJRWSADISI-GFCCVEGCSA-N 351.447 1.647 0 40 FDAB Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 854132 SBLBFJIFFNKANF-UHFFFAOYSA-N 368.440 1.120 0 40 FDAB CC(C)(CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)N1CCOCC1 79864441 RYFNITOYSBYZGO-HNNXBMFYSA-N 351.451 1.294 0 40 FDAB NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338257 IRDBKKOJXUABCA-UHFFFAOYSA-N 350.313 1.409 0 40 FDAB Cc1c(C(=O)N[C@@H](C)Cn2ccnc2)sc2nc3n(c(=O)c12)CCC3 47264956 QMHQVRKXVWDOHI-JTQLQIEISA-N 357.439 1.728 0 40 FDAB O=C(CN1CCCS1(=O)=O)OCc1cc(Cl)cc2c1OCOC2 61507457 MBQUSEOEDWMCQN-UHFFFAOYSA-N 361.803 1.285 0 40 FDAB COC(=O)c1cnc(NC(=O)CCNC(=O)c2ccc(F)cc2F)s1 22847667 AHTFHPXWZFTIFY-UHFFFAOYSA-N 369.349 1.967 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)N1C(=O)N1CCOCC1 4985923 WSBPIKKXKHDOFO-STQMWFEESA-N 371.434 1.319 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)on1 23249094 LNQCMDLDCQLKPK-UHFFFAOYSA-N 358.398 1.468 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 10233795 RASWESSIFMSYPN-UHFFFAOYSA-N 367.409 1.254 0 40 FDAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCNC1=O 8709785 OLJUKTIISJAIOV-UHFFFAOYSA-N 371.363 1.164 0 40 FDAB Cc1ccc(OC[C@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)c(C)c1 42757592 GSLVEHJQQMLOGI-CQSZACIVSA-N 367.405 1.552 0 40 FDAB COc1ccc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)cn1 12561781 HKYZSNLIETUHNW-UHFFFAOYSA-N 365.349 1.342 0 40 FDAB CSCC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc2ccccc2[nH]1 12540267 RHEMFVZRVFYTEW-ZDUSSCGKSA-N 373.438 1.024 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCC(C)C)cc1C 28209712 FBVYQEBUCGJWNA-CQSZACIVSA-N 368.455 1.456 0 40 FDAB Cc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)c1 35286986 WVLAWZBDFQMKIN-UHFFFAOYSA-N 358.442 1.506 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cn2ccccc2n1 12666097 CMRHDTDVNAMEAQ-UHFFFAOYSA-N 362.389 1.679 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)c3ccc[nH]3)CC2)cc1 57362688 NGIQEOCHHKGFNZ-UHFFFAOYSA-N 361.467 1.902 0 40 FDAB Cc1ccc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1 58338217 TWPOIKPQZQAWFH-JTQLQIEISA-N 361.261 1.473 0 40 FDAB COc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cn1 27065964 JYQQRCLRGXRWLB-HUBLWGQQSA-N 350.444 1.755 0 40 FDAB biogenic CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35877164 DDBNPHFKULZTKC-IHSNIMORSA-N 353.422 1.713 0 40 FDAB COC(=O)C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1 12729238 BWDNZFFLGNXAAS-CYBMUJFWSA-N 372.402 1.765 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cccc(OC)c2)C1=O 10166501 JBIIIQZRBOIANP-UHFFFAOYSA-N 362.382 1.532 0 40 FDAB COCCn1nc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)ccc1=O 58209854 CIYAXYGJFGSJOH-UHFFFAOYSA-N 371.372 1.145 0 40 FDAB COc1cc(NC(=O)COc2c(C)n(CCO)ccc2=O)cc(OC)c1 44916988 HDSQLZVSUKHPAI-UHFFFAOYSA-N 362.382 1.184 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)CNc2cccc(O)c2)C1 104207780 NIESREDNVAQROX-MPGHIAIKSA-N 355.438 1.446 0 40 FDAB O=C1NCCN1[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 48325038 LZEJDYNILAKMRA-SECBINFHSA-N 355.324 1.137 0 40 FDAB COc1cccc(N2Cc3nc(=O)n(Cc4c(C)noc4C)n3C2=O)c1 61718798 LHVWHSIETWSGQQ-UHFFFAOYSA-N 355.354 1.695 0 40 FDAB CCOC(=O)NCC(=O)NCC(=O)Nc1ccccc1Br 46412724 OIQDEABKDCCQEK-UHFFFAOYSA-N 358.192 1.250 0 40 FDAB C[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 12972772 JPZOTAGJHLAQIN-GFCCVEGCSA-N 352.394 1.166 0 40 FDAB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 18360750 JFGVSNOWCRWGOM-MFKMUULPSA-N 374.846 1.634 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 5021455 XYFYLEQALSCYRZ-UHFFFAOYSA-N 355.354 1.545 0 40 FDAB COc1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccccc2)cc1 4499994 MXBFJOYJBKDILM-UHFFFAOYSA-N 373.394 1.866 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 14185795 YNCDZKAFMZUBDV-INIZCTEOSA-N 366.483 1.563 0 40 FDAB O=C(N[C@H](CO)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 6646028 TXQASCQFRLGMLP-OVEPSTSESA-N 359.357 1.563 0 40 FDAB COc1cc2c(cc1OC)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2 9513883 POLRSWCWPQNOOX-SJORKVTESA-N 351.443 1.618 0 40 FDAB COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)NC1CC1 14796786 FATVYJRNLQTZAX-LBPRGKRZSA-N 358.485 1.374 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)NCc2nnc(C3CCC3)n2C)cc1 96013656 RRFOOXBOFAPIJW-UHFFFAOYSA-N 371.441 1.528 0 40 FDAB C[C@H](OC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C(=O)NC1CC1 7148125 QYDKFTUOLWDFTJ-ZETCQYMHSA-N 366.723 1.731 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C(N)=O)cc1 7467797 HPLHRMMBZXKJGB-UHFFFAOYSA-N 357.366 1.770 0 40 FDAB COc1cccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 7682230 RUMKIJDPONTTBR-LBPRGKRZSA-N 356.378 1.907 0 40 FDAB C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(N)=O 8156445 OXXCEZWIROTVSJ-JTQLQIEISA-N 369.468 1.968 0 40 FDAB COC[C@@H](C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8489929 UBMMCRCRXOBNLJ-LLVKDONJSA-N 373.438 1.352 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)NCCNC(=O)c1ccncc1 9481197 YGLQBHBKLHLGEP-UHFFFAOYSA-N 367.361 1.113 0 40 FDAB biogenic CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)N(C)C1CCCCC1)CC2 97020675 MSOXWLLJIMUEMR-JKSUJKDBSA-N 360.520 1.748 0 40 FDAB COc1ncnc(N(C)C)c1NC(=O)NCCNC(=O)OC(C)(C)C 84240675 FWFHJHFVARGNBL-UHFFFAOYSA-N 354.411 1.197 0 40 FDAB CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409298043 VOQCSMAVAUIYMP-BKEDOTJMSA-N 357.362 1.271 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1ccccc1 1547201259 UARJTPRTSIORRG-UHFFFAOYSA-N 363.377 1.350 0 40 FDAB Cc1cc(C)cc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)c1 22699186 WBSFPWSZEUSMME-UHFFFAOYSA-N 352.442 1.547 0 40 FDAB CC(=O)OC[C@H]1C[C@@H](COC(C)=O)[C@@H](COC(C)=O)C[C@H]1COC(C)=O 61953308 GCCOZZKHVAOYJZ-FZDBZEDMSA-N 372.414 1.497 0 40 FDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)n1 553091484 WMGLGSIVABHOMK-HNNXBMFYSA-N 370.457 1.291 0 40 FDAB Cn1nc(C2CCN(C(=O)c3cnccn3)CC2)n(-c2ccccc2)c1=O 77146537 QBQBBYSBDCSAFG-UHFFFAOYSA-N 364.409 1.381 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)n[nH]1 527196195 KXRTUAPJDVPYBK-OXHZDVMGSA-N 373.379 1.113 0 40 FDAB COCCn1c(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc2ccccc2c1=O 32075024 QNWVSALUPZLZBE-ILXRZTDVSA-N 353.422 1.985 0 40 FDAB Cc1cc(C)nc(Nc2cnc([C@H]3CCCN(C(CO)CO)C3)cn2)n1 72363673 RJZYGFREVTVNTE-AWEZNQCLSA-N 358.446 1.160 0 40 FDAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1 72321264 KDZVTKSJMLAFPF-IEBWSBKVSA-N 355.394 1.501 0 40 FDAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 30971319 RVBQSVAWEFZAFV-UHFFFAOYSA-N 365.411 1.367 0 40 FDAB CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CCCO1 35877049 XEPMBUIGQIHSGV-CEXWTWQISA-N 373.497 1.527 0 40 FDAB COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(C)o2)n1 225914142 LFLHMKKUSSVDLC-UHFFFAOYSA-N 363.443 1.710 0 40 FDAB Cc1cccc(O[C@H]2COCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 85435940 NHUWVMOPOQFPTG-CQSZACIVSA-N 367.427 1.463 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)NC2(CO)Cc3ccccc3C2)ccc1-n1cnnn1 576207903 MSKAWDGTJMFNAW-UHFFFAOYSA-N 364.409 1.622 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239128 SPHRTLLBDKERES-LJQANCHMSA-N 351.410 1.815 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 96227473 MUBDWUNSAIHBQU-SJLPKXTDSA-N 365.499 1.738 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccoc1C)CC2 248024366 NEMADHCMMJEYEI-AWEZNQCLSA-N 370.471 1.348 0 40 FDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)c1noc2c1CCCC2 257305700 SRCCRYCIVAHWIJ-LJQANCHMSA-N 356.426 1.662 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1cccc(F)c1 257315870 VDBJQPQREVTKLI-IBGZPJMESA-N 358.417 1.648 0 40 FDAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1 585081770 ZGYKHFGOFLJYOA-AWEZNQCLSA-N 359.411 1.900 0 40 FDAB Nc1cc(CC[C@H]2CN(S(=O)(=O)c3cccs3)CCO2)ccn1 257232541 GLHPAVZVQFNPIX-ZDUSSCGKSA-N 353.469 1.748 0 40 FDAB COc1ncccc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257204656 AVUDYBIZCDZAEE-CQSZACIVSA-N 367.409 1.464 0 40 FDAB Cn1c(=O)c2c(ncn2CCNc2cccc3c2CCCC3)n(C)c1=O 24718856 JKVIJNYMHSEGHD-UHFFFAOYSA-N 353.426 1.425 0 40 FDAB CCN(Cc1ccc(NC(C)=O)cc1)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257233040 GNLYIGGMTDTAJB-IBGZPJMESA-N 370.457 1.815 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2ccnn2C)CC1 279824236 DCNBKIQUZZNPOF-CQSZACIVSA-N 356.426 1.545 0 40 FDAB Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643889408 AFTHRRHQHBQXDE-HNNXBMFYSA-N 358.446 1.635 0 40 FDAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cncn2)nn1 96097887 IPHLHXQPXJPRCA-UHFFFAOYSA-N 363.425 1.452 0 40 FDAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)C1 575420843 FCSUPQHQRDODQL-KBPBESRZSA-N 359.469 1.043 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccncc2)n[nH]1 585094826 OFZGMSZHZCROIM-QGZVFWFLSA-N 352.442 1.990 0 40 FDAB CN1C[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccncc1)C2 585093753 CDQNKTTXNCCTQK-MRXNPFEDSA-N 352.438 1.840 0 40 FDAB COC(=O)c1sccc1NC(=O)N1CCCN(S(C)(=O)=O)CC1 25228514 GNSAVQAHUQGYFX-UHFFFAOYSA-N 361.445 1.034 0 40 FDAB O=C(O)[C@H]1C[C@H](n2ccnn2)[C@H](NCCCc2ccc3c(c2)CCO3)C1 685943441 WOHKANQPGAVPOA-ZACQAIPSSA-N 356.426 1.840 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C1CCCCC1)C(F)(F)F 666779378 JUHYLOIGAGTNLK-QJPTWQEYSA-N 372.409 1.609 0 40 FDAB C[C@@H](NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)c1ccnc(O)c1 576970614 NQXKFXQGQOFKDF-BLVKFPJESA-N 355.394 1.371 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nc2n1 5426590 YTADPBBFTDEDHZ-UHFFFAOYSA-N 354.389 1.843 0 40 FDAB O=C(O)CCCC(=O)NCc1ccc(CNC(=O)CCCC(=O)O)cc1 5569667 HGEHGZGRWPVWML-UHFFFAOYSA-N 364.398 1.429 0 40 FDAB COC(=O)[C@H]1NC(=O)C(N2C(=O)c3ccccc3C2=O)=CSC1(C)C 5699342 ZKPQHVPGAXYNJZ-GFCCVEGCSA-N 360.391 1.307 0 40 FDAB Cc1nc(N2CCN(C(=O)CCc3ccno3)CC2)ncc1-c1ccno1 12258763 OWVVUKYLKVFCQR-UHFFFAOYSA-N 368.397 1.709 0 40 FDAB COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19460667 LPIZZOSOIWESIL-YGTYGHESSA-N 372.352 1.801 0 40 FDAB CCc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)no1 19523170 CLCJRRQMWWQHQN-LLVKDONJSA-N 374.397 1.319 0 40 FDAB CCN(CC)CC(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19526315 XJUCSCZFKZSQMQ-UHFFFAOYSA-N 372.469 1.092 0 40 FDAB COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc(C)c(F)c(=O)[nH]1 19579274 UQBIMRPEIDSHHZ-LBPRGKRZSA-N 361.373 1.969 0 40 FDAB COCCN1Cc2cccc(C(=O)N(C)CCN3CCCCC3)c2C1=O 19714165 QYNMVWFEWIJRFA-UHFFFAOYSA-N 359.470 1.847 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 19746922 MFOWTOWTXIBGSZ-QGZVFWFLSA-N 366.487 1.781 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)COc2ccccc2)n1 513803913 OMJSFQURXQBJBW-GJZGRUSLSA-N 373.432 1.655 0 40 FDAB O=C(c1ccc2nsnc2c1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888890806 LJOKCTZVIOSMLO-CHWSQXEVSA-N 352.423 1.690 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ccn5nccc5n4)C[C@@H]3C2)c1F 1888891000 QSHZPDBXPDBATI-BETUJISGSA-N 353.405 1.793 0 40 FDAB CN1CC[C@H](N2CCC[C@H](COc3ncc(Br)cn3)C2)C1=O 1848573068 AXRHCPJWROPBPX-AAEUAGOBSA-N 369.263 1.561 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2C)CC1 21740986 WTZLCSHPMVHRQH-OAHLLOKOSA-N 374.514 1.924 0 40 FDAB CCOc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@H]2[C@H](O)CO)cc1 240122690 WHHIIMRGPWDFLO-ALYAQQCSSA-N 354.399 1.200 0 40 FDAB biogenic COc1cc(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)on1 1565551830 WCQLWLIXUJZUNI-LIRRHRJNSA-N 371.393 1.150 0 40 FDAB Cc1ccccc1CC(=O)N1CCCN(c2ccc3nncn3n2)CC1 1565523286 JRQSPOWKONXRGV-UHFFFAOYSA-N 350.426 1.714 0 40 FDAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(Cc3nccs3)CC2)[nH]1 2055772095 WGCTXHADJMSSOK-UHFFFAOYSA-N 371.470 1.125 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1Cc1cccs1 19877380 NLZPLIKUUUNOAA-MRXNPFEDSA-N 371.462 1.903 0 40 FDAB CN(C)c1ccnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884583 PZDGBNQKRDBEDE-LBPRGKRZSA-N 355.389 1.006 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1OC 4248556 MELDOMOXZMDMCH-UHFFFAOYSA-N 367.452 1.934 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1nccn1C(F)F 30004490 DOHOUHQBGHWQRT-UHFFFAOYSA-N 365.383 1.947 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 40009891 RVBXREAEJWNYFN-MRXNPFEDSA-N 365.389 1.968 0 40 FDAB Cc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)s1 40287016 PBHLSQIMMQIIKU-MRXNPFEDSA-N 357.395 1.394 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2nccnc2c1 100893951 IPBAMIJCLZMBGW-GNTOHDJUSA-N 362.389 1.766 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccn1 31819548 HGZNAHLSJPNIOK-CYBMUJFWSA-N 370.384 1.006 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccsc2)C[C@H](C)O1 32914949 LHXDXWUGVAKGCG-STQMWFEESA-N 360.501 1.236 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 663848 CMWFAWBWYSIVEP-UHFFFAOYSA-N 362.407 1.780 0 40 FDAB COc1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 665772 PDVUIWJLLDHRPF-UHFFFAOYSA-N 366.414 1.917 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@@H](CO)C[C@H]3O)c2n1 4946202 ZSKZMXNNWSHOOQ-XHBSWPGZSA-N 373.438 1.342 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420132 DKSOAYFCYKQHCY-PFHKOEEOSA-N 350.802 1.537 0 40 FDAB CC(C)(C)n1nnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 8250455 KOINAIYXKWRLHX-NSHDSACASA-N 363.443 1.476 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 941604 IMSQTYSMWXQGGA-LLVKDONJSA-N 370.336 1.992 0 40 FDAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccc2[nH]nnc2c1)C3 24179335 UWLRENJREWJHQY-UHFFFAOYSA-N 351.395 1.743 0 40 FDAB COC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 25378058 IJWSQDLSFPPJSO-UHFFFAOYSA-N 368.345 1.717 0 40 FDAB O=C(NCc1ccc2c(c1)OCCO2)[C@H](Cc1ccccc1)n1cnnn1 25649212 VZEVRHJZRNMAJH-INIZCTEOSA-N 365.393 1.545 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102329542 HTSWKCQLFDXXHD-UKJIMTQDSA-N 373.331 1.371 0 40 FDAB Cc1nc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cs1 108535592 VZTDWGLONDSHCE-IRXDYDNUSA-N 358.467 1.962 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 57279496 ZAMSFNBDTAXIBR-UHFFFAOYSA-N 351.432 1.590 0 40 FDAB O=C1CN(Cc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738485 XITWEJZQBPWIIM-ZWKOTPCHSA-N 374.437 1.840 0 40 FDAB CCn1c(S)nc2cc(C(=O)N3CCN(C(C)C)CC3)ccc2c1=O 102811254 SNAHRZIPZAOGAR-UHFFFAOYSA-N 360.483 1.871 0 40 FDAB NC(=O)CCN1CCC(CCCC2CCN(CCC(N)=O)CC2)CC1 12798421 WOHFFVVNQWVTOV-UHFFFAOYSA-N 352.523 1.332 0 40 FDAB O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccsc1 25012402 IFGGISJKSVVGSS-UHFFFAOYSA-N 353.421 1.988 0 40 FDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc(F)c1 12787515 MJZVKPHPVLUFGI-UMVBOHGHSA-N 369.418 1.172 0 40 FDAB COC(=O)c1c(C)nsc1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 58167444 ATGGTLMBPPWIGA-CYBMUJFWSA-N 374.422 1.943 0 40 FDAB CC1(C)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12768125 OTUPWHZWZNZMDB-SNVBAGLBSA-N 357.204 1.519 0 40 FDAB CNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 12759702 XVCMTZATGWOEBR-OAHLLOKOSA-N 374.485 1.238 0 40 FDAB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccccc1 22817994 UVMDANNYZONHDO-SFHVURJKSA-N 372.469 1.495 0 40 FDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)CC2)c1 45574235 HHQPVJMTUZJHMI-UHFFFAOYSA-N 354.472 1.792 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(N2CCNC2=O)c1 45764960 WRIXXFXIWBMBSM-HNNXBMFYSA-N 353.378 1.786 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N(C)Cc3ccccc3)nn12 60382533 GTDLZWDZEQWOLA-CYBMUJFWSA-N 353.382 1.637 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)CCC2=O)cc1F 12959175 FINOCKYCQFQMSA-NSHDSACASA-N 350.346 1.543 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)[C@H]1C(=O)O 71285460 YHQOBDGIDSCHNR-OLZOCXBDSA-N 352.412 1.304 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(F)cc(F)c1 65553772 POHZBLBFTFBFAO-ZANVPECISA-N 364.439 1.943 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2F)NC(=O)N[C@]1(O)C(F)(F)F 6439240 OTMQGFFEGSSDDZ-OPQQBVKSSA-N 350.268 1.610 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NCc1ccc2c(c1)OCCO2 14136067 HOUIQHBSDAEQSX-UHFFFAOYSA-N 365.389 1.874 0 40 FDAB O=C(NS(=O)(=O)c1ccc(F)cc1F)c1cccc2c1OCCO2 65643074 KGYVAIKGZKNNAQ-UHFFFAOYSA-N 355.318 1.855 0 40 FDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC1CC1 4836335 DJEVWXNPSGUADP-LBPRGKRZSA-N 366.439 1.295 0 40 FDAB O=C(NCCCNC(=O)c1ccc(Br)o1)c1cnccn1 4985406 RHCINYISTHDASC-UHFFFAOYSA-N 353.176 1.382 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408674263 YWRDALYLVMBENA-FAWFFBBMSA-N 358.346 1.535 0 40 FDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 96000483 MHMVAUSHJOOLME-JTQLQIEISA-N 356.835 1.539 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC[C@@H](C)C2 19791887 VCOFQHYEUCQCLG-LLVKDONJSA-N 352.456 1.930 0 40 FDAB Cc1c(C)c(C)c(S(=O)(=O)NCCN2C(=O)CCC2=O)c(C)c1C 72991569 HNCVAONAQYUCJS-UHFFFAOYSA-N 352.456 1.656 0 40 FDAB COCCOc1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cn1 95457658 IOIZQGMIAYQLHI-CXAGYDPISA-N 351.403 1.566 0 40 FDAB O=C(NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)c1cnccn1 306133940 MZTXPTFGMCJAPN-MRXNPFEDSA-N 363.425 1.445 0 40 FDAB COc1cccc(NC(=O)CN2C(=O)C(=O)N(c3ccccc3)C2=O)c1 32727475 CKSZSEMNLVGVPO-UHFFFAOYSA-N 353.334 1.629 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCOCC3)c[nH]c2c1 31812325 KKDYBTCIUVTICI-IDOMTICXSA-N 373.365 1.205 0 40 FDAB CCCCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 408705661 KTWNDWHLJYICGK-UHFFFAOYSA-N 370.471 1.920 0 40 FDAB Cc1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)ccnc32)cc1 36719636 ZUKMDJHXASLQEY-UHFFFAOYSA-N 356.451 1.991 0 40 FDAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)nc(Cl)n1 72203180 XILSGJVYPXVYET-JTQLQIEISA-N 356.810 1.949 0 40 FDAB NC(=O)Nc1cccc(NC(=O)CCn2ncc(=O)c3ccccc32)c1 42620458 CTOQJKWNJCQRFY-UHFFFAOYSA-N 351.366 1.916 0 40 FDAB O=C(CCn1ccnn1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 98004377 QKOJKNOYIBFGGE-WYMLVPIESA-N 371.422 1.521 0 40 FDAB CC(C)c1n[nH]c(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)n1 95475455 MRGIRFVDPSONKP-UHFFFAOYSA-N 356.361 1.930 0 40 FDAB Cn1cc(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cn1 96241353 VZMQOCKDKPMOFQ-UHFFFAOYSA-N 360.483 1.734 0 40 FDAB Cn1cc(-c2ccc(NC(=O)N[C@@H]3CCOC4(CCOCC4)C3)nn2)cn1 332999102 AMJPJGMTMAVCNZ-CQSZACIVSA-N 372.429 1.727 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)n1 248138089 PKUHURHZCGLZQN-HNNXBMFYSA-N 371.441 1.609 0 40 FDAB CO[C@@]12C=C[C@@]3(C[C@H]1CO)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 253504717 KSIZHHFJCGTAKZ-ATCFYIJQSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro CN(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257250607 JNHFDXGWRRHKQR-SFHLNBCPSA-N 358.482 1.400 0 40 FDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1nc(C(=O)O)cs1 547877719 RKIWQEMZCAVHHS-UHFFFAOYSA-N 372.472 1.789 0 40 FDAB C[C@H](C(=O)Nc1nnc(C2CCOCC2)s1)n1cnc2c(N)ncnc21 615380474 PNEXFKUQEHJIGK-MRVPVSSYSA-N 374.430 1.354 0 40 FDAB CC1(C)CCN(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)CC[S@]1=O 593700922 VFOSZKWZOZPUEH-IQGLISFBSA-N 366.483 1.972 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(c2ccon2)CC1 661180428 WOZBSOJYLNETKG-CQSZACIVSA-N 370.475 1.378 0 40 FDAB NS(=O)(=O)c1ccc2nc(N3CCO[C@H](Cc4ccccc4)C3)[nH]c2c1 663774011 SIRHWZBTOYHOFH-CQSZACIVSA-N 372.450 1.658 0 40 FDAB CCC(CC)N1C[C@@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775957748 KZNJZSWSNXWXLM-AEGPPILISA-N 364.446 1.704 0 40 FDAB CN1c2ccc(NC(=O)COCc3ccccc3)cc2N(C)S1(=O)=O 390827632 IJNNDXXSVVBJJF-UHFFFAOYSA-N 361.423 1.973 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585113030 XMGHSLYXHHEVRO-MRXNPFEDSA-N 352.435 1.518 0 40 FDAB CC1CCN(CC(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CC1 79110265 HKWOHEXFKCDDBT-UHFFFAOYSA-N 358.486 1.668 0 40 FDAB CCc1ncc(C(=O)N2CCOC[C@](O)(COc3ccccc3C)C2)cn1 1615143372 JBHSOEYWDDARJU-FQEVSTJZSA-N 371.437 1.630 0 40 FDAB Cc1c(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cnn1C 1615129836 WZWMHWIQXSGWAN-IBGZPJMESA-N 358.417 1.876 0 40 FDAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 5652153 SMNUDMUQLIHHIW-LLVKDONJSA-N 368.422 1.881 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)Cc1cccnc1)CC3 12223080 RUSWINMECWIMGG-UHFFFAOYSA-N 354.435 1.789 0 40 FDAB CC[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 12239890 DLMUASNUOJKRPN-INIZCTEOSA-N 367.515 1.503 0 40 FDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)CC1 15674071 HXUNKOOGXZKWRP-SJORKVTESA-N 356.426 1.855 0 40 FDAB biogenic,in-vitro CCN1C(=S)N(C)C(=O)/C1=C/c1c(C)n(C)n(-c2ccccc2)c1=O 16681419 GWNGJPYBCCXKIS-PTNGSMBKSA-N 356.451 1.904 0 40 FDAB CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@@H]2CCCO2)C3)CC1 19588290 YJYLGUXPKMCZIO-KRWDZBQOSA-N 374.485 1.366 0 40 FDAB CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CCN(C)CC1 19664939 KIIMUELKDDGDHJ-UHFFFAOYSA-N 364.490 1.430 0 40 FDAB O=C(Cc1nc2cc(Cl)ccc2[nH]1)NCCS(=O)(=O)N1CCCC1 19717702 NKEZFKBDPNJPPA-UHFFFAOYSA-N 370.862 1.301 0 40 FDAB CCCN(C(=O)CCc1ccc(C)c(OC)c1)[C@@H]1COC[C@@H](O)[C@H]1O 643913132 ZJIUSWAAWRZWRJ-MDZRGWNJSA-N 351.443 1.295 0 40 FDAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)S(=O)(=O)C2CCCC2)n1 19752124 DWWDROMMVCNGEA-CYBMUJFWSA-N 367.519 1.690 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccnc(O)c5)C[C@@H]4C3)n1)CCC2 1888867018 ZTLASLZWXLCYSW-GJZGRUSLSA-N 365.437 1.583 0 40 FDAB Cc1ccc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cc1 21996177 DUVBTAPDVKTCMA-UHFFFAOYSA-N 363.215 1.553 0 40 FDAB CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 630664380 FUIIYIYLFXAGCF-MSOLQXFVSA-N 358.438 1.909 0 40 FDAB COc1cnc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)nc1 1614939185 VNIMFCYMHYUONZ-DLBZAZTESA-N 371.441 1.471 0 40 FDAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1614940423 LGIRNKROUHJTOT-YLJYHZDGSA-N 373.497 1.684 0 40 FDAB O=C(c1cc(F)ncc1F)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565549153 MKGBLTOXMOMHAM-ZDUSSCGKSA-N 361.396 1.924 0 40 FDAB CCCCOC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22798196 JIZHIFMIUIXVRB-QGZVFWFLSA-N 350.459 1.711 0 40 FDAB CCc1ccccc1NC(=O)CSc1nnc(CCC(=O)O)c(O)n1 22909493 IGZOGSGMBJIARD-UHFFFAOYSA-N 362.411 1.888 0 40 FDAB Cc1ccc(NC(=O)Cn2nc3cc(C)nc(N4CCCC4)n3c2=O)cc1 49410623 SLNGLBBZRQLDRJ-UHFFFAOYSA-N 366.425 1.747 0 40 FDAB O=C(Nc1cccs1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 575611444 XRJSCUIDYZGXJN-UHFFFAOYSA-N 356.415 1.473 0 40 FDAB O=C(Nc1ccc(N2CCN(c3nccn4nccc34)CC2)cn1)C1CC1 2298076104 QWCYHGVDKMGSAL-UHFFFAOYSA-N 363.425 1.799 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 40005284 BCSWPSBOLVEACU-CQSZACIVSA-N 368.430 1.112 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)N1CCN(Cc2ccccc2)CC1 20688801 FQLHYKRTYGDRMQ-UHFFFAOYSA-N 365.433 1.756 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(C)no1 32387911 RBMPGGUSMAMZFJ-INIZCTEOSA-N 364.423 1.803 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C 32924409 VGZSPJHOASQZJV-RYUDHWBXSA-N 358.464 1.128 0 40 FDAB Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c2c(O)nn(C)c2n1 32982821 JHTYYCWGPQEIDU-GFCCVEGCSA-N 368.393 1.894 0 40 FDAB CCOC(=O)CN(CCOC)C(=O)COc1ccc(C(C)=O)cc1OC 32931825 CZRWZUGSVVWVAT-UHFFFAOYSA-N 367.398 1.315 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 798732 XDZPUAKDFYSCHC-UHFFFAOYSA-N 361.419 1.985 0 40 FDAB COc1cc(OC)cc(-n2nnnc2SCC(=O)NC2CCCC2)c1 932285 NMRROUKLGJQSLV-UHFFFAOYSA-N 363.443 1.830 0 40 FDAB C[S@@](=O)CCNC(=O)c1ccc(I)c(F)c1 78765072 YHFPCSFPMFHZNC-INIZCTEOSA-N 355.172 1.539 0 40 FDAB CCOc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 2724087 WMRULTXBJHBURI-UHFFFAOYSA-N 364.427 1.791 0 40 FDAB CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 3536767 IBIGLKJBKYKXSM-UHFFFAOYSA-N 355.441 1.870 0 40 FDAB NS(=O)(=O)c1cc2c(cc1Cl)N=C(CCC(=O)O)N=[S@]2(=O)O 3954523 MMZVLUQFLGIDQC-UHFFFAOYSA-N 367.792 1.196 0 40 FDAB in-vitro CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cnc2c(=S)nc[nH]c21 4945786 JVVABCXIZWKNFX-FUTROLMKSA-N 352.372 1.270 0 40 FDAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)C1 7247936 RCCLEFQIXZBSPZ-CYBMUJFWSA-N 373.427 1.797 0 40 FDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 3015642 FCFQSSSITSZSHY-UHFFFAOYSA-N 355.398 1.085 0 40 FDAB Cn1ccc2c(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cccc21 61721700 LRFSOCMBSSXAFY-AWEZNQCLSA-N 361.467 1.123 0 40 FDAB CS(=O)(=O)N1CCN(Cn2ccn(-c3cccc(F)c3)c2=S)CC1 12553999 QFDWJIBGRKBBFW-UHFFFAOYSA-N 370.475 1.682 0 40 FDAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1 8884320 WUBDWYXKSIQCRS-INIZCTEOSA-N 358.369 1.976 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 23717483 WPCBTYDKCSYCMS-LJQANCHMSA-N 371.393 1.414 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cn2cnc3c(C)cccc3c2=O)CC1 24472464 JCKZUSVFAWDLMS-UHFFFAOYSA-N 372.425 1.442 0 40 FDAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1S(N)(=O)=O 9742735 OBIZWYNWLOBUTJ-NSHDSACASA-N 363.391 1.771 0 40 FDAB CCc1nn2c(O)cc([C@@H]3CCN(C(=O)Cc4nonc4C)C3)nc2c1C 100147048 PFKMCEBDMXWTKG-GFCCVEGCSA-N 370.413 1.556 0 40 FDAB Cc1cc(C)cc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)c1 113966689 OSJAMBRKXJYPFU-UHFFFAOYSA-N 354.472 1.708 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)NC1CC1 35326021 BDRISMOXEKNJMJ-UHFFFAOYSA-N 352.438 1.514 0 40 FDAB CC(C)(C)CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626930 CTGJZDUZDCMAPV-UHFFFAOYSA-N 368.499 1.901 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(c2ncnc3sccc23)CC1 12785601 CDUIAXANJMZZLB-UHFFFAOYSA-N 355.489 1.400 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2)CC1 12745431 KFGCFHLYCBTIGX-UHFFFAOYSA-N 363.439 1.828 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc3c(c2)OCCO3)c1=O 58416627 QSODIKXLIVFSBU-UHFFFAOYSA-N 354.284 1.786 0 40 FDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 3399313 RISNLVKOUKCFNI-WDMOLILDSA-N 350.415 1.053 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)cc1 36396925 WTKPCPJWRJBEMD-UHFFFAOYSA-N 366.377 1.030 0 40 FDAB CC(C)Cc1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)no1 58936203 OPYJKHYFMBAPIT-UHFFFAOYSA-N 351.428 1.499 0 40 FDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N[C@@H]1CCS(=O)(=O)C1 59035118 NVOPBETZIOTZPL-SECBINFHSA-N 353.322 1.331 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC[C@@H](O)C1 29695491 RZSLTTCNNHYSNU-GOSISDBHSA-N 356.470 1.621 0 40 FDAB CCCn1c(N)c(C(=O)CSc2nc(C)cs2)c(=O)n(C)c1=O 3421300 AGDOASTUAHAFPL-UHFFFAOYSA-N 354.457 1.279 0 40 FDAB CC1CCN([C@H](CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c2cccs2)CC1 22090880 KXHXZBSDLYIBHB-KFWWJZLASA-N 358.529 1.269 0 40 FDAB CN(C)C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 12939151 RNBOGIPPJVBRAR-HNNXBMFYSA-N 358.442 1.270 0 40 FDAB COCCNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4073842 DQFVRFUMHDVZLS-MGPLVRAMSA-N 352.412 1.036 0 40 FDAB biogenic NC(=O)c1cc(I)cc(I)c1 4014504 HQHJNACIZPLPHO-UHFFFAOYSA-N 372.931 1.995 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 49581390 SQYHBJBUMFWZRD-GOSISDBHSA-N 369.465 1.158 0 40 FDAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4178426 KFSGQTBZORVWCO-FTUNRGFVSA-N 367.401 1.836 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@@H]3COCc2ccccn2)n2ncnc2n1 306138209 RSHLDBKPOJEZRS-OAHLLOKOSA-N 366.425 1.640 0 40 FDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5054395 UEENAQUPOLUZNT-CQSZACIVSA-N 350.718 1.258 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1 14158478 FSKXGLGGFLHEPR-UHFFFAOYSA-N 361.419 1.834 0 40 FDAB C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccc2c(c1)CCC2 14240202 ARVZYEJAYCWVGF-HZMBPMFUSA-N 359.382 1.034 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)NC(Nc2ccc(F)cc2)=N1 9227058 JTCHCVMBWFQDPM-CYBMUJFWSA-N 370.340 1.850 0 40 FDAB O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(F)c(F)c1)CN=2 6661135 WFVUFYZKDBPRAW-UUASQNMZSA-N 358.373 1.467 0 40 FDAB O=C(COc1cccnc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005351 LCEDVJFYBUBWDH-MRXNPFEDSA-N 367.471 1.313 0 40 FDAB CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc2c(c1)OCO2 9451630 XHJIVICAHVSWCY-UHFFFAOYSA-N 355.394 1.873 0 40 FDAB CN(Cc1ccccn1)C(=O)C[C@@H]1CN(c2ncccn2)Cc2ccnn21 306127816 GIHWHGKAPXZCOS-QGZVFWFLSA-N 363.425 1.678 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccccc1F 18123523 DSFUGHDCSDURLU-LBPRGKRZSA-N 368.405 1.991 0 40 FDAB O=C(CN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1=O)N1CCCC1 866203 BHMMXVLPFJSNJD-SCLBCKFNSA-N 351.406 1.805 0 40 FDAB biogenic COC(=O)[C@@H](NC(=O)CSCc1nc2ccccc2c(=O)[nH]1)C(C)C 35686414 TZWWVZKKQRIARH-HNNXBMFYSA-N 363.439 1.470 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 218346213 WHFOXFFJNLWRJE-CHWSQXEVSA-N 358.387 1.449 0 40 FDAB COc1ccc(OC)c(CN2CCc3nnc([C@@H]4CCCNC4)n3CC2)c1 72370884 BLNGPURKCHTRCE-OAHLLOKOSA-N 371.485 1.821 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)CC2=O)cc1 361226053 AWRWLCGHMZGZOK-ZDUSSCGKSA-N 353.378 1.786 0 40 FDAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72358766 ROIMRAOSNPXAOR-OAHLLOKOSA-N 354.410 1.595 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380576 KKDKBULAJNUVHD-ZDUSSCGKSA-N 370.457 1.835 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N1C(=O)CCC1=O 222900167 MPYOKIWHBQEPBB-UHFFFAOYSA-N 366.439 1.913 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)/C=C/c1nc2ccccc2o1 47214845 TWPPIPCAFXLJAP-MDZDMXLPSA-N 351.428 1.629 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1OC 223880328 SYDHVPIRYAVRCX-UHFFFAOYSA-N 352.412 1.859 0 40 FDAB O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107995 RMOBLJYOWXXSHF-QFBILLFUSA-N 358.438 1.527 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)[C@@H](c1ccccc1)n1cnnn1 95475428 PLJAIROAGSTMMX-GOSISDBHSA-N 361.409 1.737 0 40 FDAB Cc1cc(CN2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)no1 96039789 YJISKDPLPTZYPC-FUHWJXTLSA-N 351.447 1.459 0 40 FDAB CC(C)N1[C@@H]2CN(Cc3ccccn3)C[C@@H]2C[C@@H]1C(=O)NCCN(C)C 96185750 MRYDISGJVDJGBZ-QXAKKESOSA-N 359.518 1.043 0 40 FDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)c1ccsc1)CC2 96215967 VJIXRNPAQBKMES-CYBMUJFWSA-N 358.485 1.309 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCC3(CC=CCOC3)CC2)c2ccccc21 257281628 OQEGNURPOOMZCN-UHFFFAOYSA-N 355.438 1.925 0 40 FDAB COc1ncccc1CN1CCn2cc(CC(=O)NC3CC3)nc2[C@@H]1C 253590939 HUIQBPQRDHOAOA-ZDUSSCGKSA-N 355.442 1.685 0 40 FDAB CCCn1nccc1-c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257284455 PCTVARVHDZIVEO-UHFFFAOYSA-N 363.487 1.964 0 40 FDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257299348 RPQYDWUKNGMRTK-LBPRGKRZSA-N 350.448 1.161 0 40 FDAB COc1cc(OC)c(NC(=O)CN2C[C@H]3CCN(C)[C@H]3C2)cc1Cl 1615626501 YNHGYLVBAAESLP-RISCZKNCSA-N 353.850 1.932 0 40 FDAB Cn1cc(N2[C@@H](C(=O)O)CC[C@@H]2C(=O)N2CCCc3ccccc32)cn1 630651433 SMLROWWHKSRZPE-IAGOWNOFSA-N 354.410 1.822 0 40 FDAB CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c(O)ncnc2C1)c1ccccc1 680223450 OLIYBDMSOMINAR-GOSISDBHSA-N 368.437 1.971 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC 36589762 HEHCIYGPTYUJJW-BZNIZROVSA-N 358.398 1.637 0 40 FDAB biogenic CCn1cc(CN2CCC3(CC2)CN(CCOC)C[C@@H]3COC)cn1 585103245 NVDDCQUXPOBLNC-GOSISDBHSA-N 350.507 1.710 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585278514 UDVJXHIRQXUEBR-MRXNPFEDSA-N 353.781 1.648 0 40 FDAB O=C(c1nc2c(o1)CCN(C(=O)[C@@H]1CCCO1)C2)N1CCC(F)(F)CC1 585113047 XXPGWWKAWFUBKP-ZDUSSCGKSA-N 369.368 1.610 0 40 FDAB Cc1nonc1CN(C)C(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585280679 NEXWCLUKNMPAEP-NXHRZFHOSA-N 358.442 1.608 0 40 FDAB Cn1nc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)c2c1CCC2 585275516 FNEHQPVPEGAMOK-LJQANCHMSA-N 359.401 1.704 0 40 FDAB COc1ccnc(OC)c1C(=O)N1C[C@@H]2CCC[C@]2(c2nc(C)no2)C1 685942736 NLCRHGRBLPLSAQ-SGTLLEGYSA-N 358.398 1.984 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58167141 NJPHFSCNJMSMNM-LBPRGKRZSA-N 369.429 1.807 0 40 FDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 5392048 GUFVYKUFKWYJIK-UHFFFAOYSA-N 366.399 1.692 0 40 FDAB Cc1noc(C)c1-c1nc(N2CCNC(=O)C2)ncc1-c1cnccn1 12155875 KHQQYTHTLLDEAG-UHFFFAOYSA-N 351.370 1.142 0 40 FDAB CN(C)[C@H](CNC(=O)C1Oc2ccccc2O1)c1ccc2c(c1)OCO2 12203755 XLWKUYDYJUIYBS-CYBMUJFWSA-N 356.378 1.932 0 40 FDAB O=C(CN1CCCCCC1)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19346761 JWAUMHDTKBXJLO-MRXNPFEDSA-N 370.501 1.500 0 40 FDAB O=C(CC[C@H]1CCC(=O)N1)Nc1cccc(N2CCCCS2(=O)=O)c1 19660291 WGHKETOSKCKKGC-CYBMUJFWSA-N 365.455 1.614 0 40 FDAB CN1CCN(C(=O)C2CN(C(=O)C(C)(C)Oc3ccc(F)cc3)C2)CC1 19745203 DVHNCBJSKRQXPP-UHFFFAOYSA-N 363.433 1.216 0 40 FDAB CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)C1 167202303 LPGDHADNJRYGSQ-JTQLQIEISA-N 350.362 1.593 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 230126253 RJTCRJOZAZYLME-QWHCGFSZSA-N 365.455 1.088 0 40 FDAB CCN1CCN(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)C(=O)C1=O 238823921 DHEKKTJBLHOCMF-GOSISDBHSA-N 359.382 1.041 0 40 FDAB O=C(c1cc(F)ncc1F)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 1614932023 MKGBLTOXMOMHAM-CYBMUJFWSA-N 361.396 1.924 0 40 FDAB O=C(CCc1ccc[nH]1)N1C[C@H]2OC[C@@H](CC(=O)N3CCCCO3)[C@H]2C1 1565548972 KFOCUBNRUXGUBW-DJIMGWMZSA-N 361.442 1.365 0 40 FDAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)c1ccc2c(c1)OCO2 11744546 CGVJKENZGKGIKU-UHFFFAOYSA-N 364.361 1.464 0 40 FDAB COC[C@@](O)(CNS(=O)(=O)c1ccc(OC)cc1C)c1ccccc1 575608816 ZDERRLGWBVNWBY-SFHVURJKSA-N 365.451 1.816 0 40 FDAB NC(=O)c1nnn(-c2ccc(NC(=O)CSCc3ccccc3)cc2)n1 70999146 GXBXJWVRECOXTO-UHFFFAOYSA-N 368.422 1.633 0 40 FDAB CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 248087904 TUWPUOCSWFVTOY-ZQDZILKHSA-N 355.479 1.118 0 40 FDAB biogenic COc1cccc(CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 40040273 LOEUPVJTKYZJHV-HNNXBMFYSA-N 357.332 1.885 0 40 FDAB C[C@H](Sc1nncs1)C(=O)NCc1cccnc1N1CCOCC1 40153801 LYWWJMKHNRFQOU-NSHDSACASA-N 365.484 1.567 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccn2)cc1 40157110 CBLFKXJMNKSGAX-UHFFFAOYSA-N 350.396 1.454 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC 20763173 BFNSUZCEOLMXND-QGZVFWFLSA-N 374.397 1.257 0 40 FDAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 101816384 RJHHOBKSBCDTQW-ZDUSSCGKSA-N 363.439 1.540 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(OC)cc1 41097872 VPJGZDBIUDOXKS-HNNXBMFYSA-N 350.415 1.519 0 40 FDAB NC(=O)Cn1c(SCCn2c(=O)oc3ccccc32)nnc1C1CC1 32830994 MKJPIFZUQRELBE-UHFFFAOYSA-N 359.411 1.341 0 40 FDAB Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)s1 22023520 IYRWCXBPHVXMMS-VIFPVBQESA-N 372.493 1.844 0 40 FDAB CCn1ncc(CN2CCN(C(=O)c3nn(C)cc3Cl)CC2)c1C 22266933 SGPDUDCEYBLBTP-UHFFFAOYSA-N 350.854 1.556 0 40 FDAB CC(C)OC[C@@H](O)CN1CCN(c2ccc(Br)cn2)CC1 97254513 PKEBTTJAHSVSRG-AWEZNQCLSA-N 358.280 1.752 0 40 FDAB Cn1c(N2CCCCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 827974 GUXWGJJTPYDLAW-UHFFFAOYSA-N 367.453 1.862 0 40 FDAB COc1ccc(CCNC(=O)CCn2nc(O)c3ccccc3c2=O)cc1 23296392 CBXRPUARAIBJJG-UHFFFAOYSA-N 367.405 1.860 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(Cc2cccs2)CC1 12599116 BAFFRBQVFOHPNQ-UHFFFAOYSA-N 368.462 1.802 0 40 FDAB C[C@@]1(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 24447958 PGVSIEJMSCVVFX-IUODEOHRSA-N 373.862 1.133 0 40 FDAB O=C(CCSc1ccc2nncn2n1)N1CCN(c2ccccc2)CC1 72402175 WQYVCHGECMIUBL-UHFFFAOYSA-N 368.466 1.955 0 40 FDAB Cc1ccccc1OCCNC(=O)CCn1nnc2ccccc2c1=O 55954920 FAMZXNIOQIPEQH-UHFFFAOYSA-N 352.394 1.685 0 40 FDAB CCn1cnnc1CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 56402171 RCWSTKZICLMUGD-AWEZNQCLSA-N 371.445 1.562 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCc1ccc(F)cc1 35355265 IBPVCJZTTIAMTA-SFHVURJKSA-N 355.413 1.397 0 40 FDAB COc1ccccc1N1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1 57389623 KESSFWBYIYTGDF-OAHLLOKOSA-N 374.485 1.974 0 40 FDAB CC(C)NC(=O)CNS(=O)(=O)c1cc(Br)ccc1F 58195304 DLDSZBOUJBAJFN-UHFFFAOYSA-N 353.213 1.391 0 40 FDAB COc1ccc(C[C@@H](C)N(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 58295766 FGNVJBNECFNYGY-GFCCVEGCSA-N 359.426 1.402 0 40 FDAB O=C(CCSc1nnnn1C[C@@H]1CCCO1)NCCc1ccccc1 58224541 DVTJVKARTPYDQL-HNNXBMFYSA-N 361.471 1.693 0 40 FDAB CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 58364430 OMUQDAYGVKREBV-UHFFFAOYSA-N 361.320 1.683 0 40 FDAB Cn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCO)c2ccccc21 2226717 HJXALJXTSIRKQT-PTNGSMBKSA-N 353.378 1.651 0 40 FDAB CN1C(=O)[C@@H]2C(=NN[C@@H]2c2c(O)c3ccccc3n(C)c2=O)c2ccccc21 100361610 SKVUSAKIFXNQAN-QAPCUYQASA-N 374.400 1.885 0 40 FDAB Cc1cccc2nc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)cn12 59119786 NWGCAFZQUBAARA-ZDUSSCGKSA-N 350.444 1.044 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 46081801 XNIRRVADEZJOJP-ROUUACIJSA-N 372.465 1.879 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2ncccn2)cc1 8943133 GXWFJLMNHDYCCI-UHFFFAOYSA-N 351.453 1.543 0 40 FDAB CCn1c(=O)n(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 12981837 IZXUGCRZDVZVEH-AWEZNQCLSA-N 367.405 1.779 0 40 FDAB COc1ccc2nnc(CCC(=O)NCc3ccc(OC)c(OC)c3)n2n1 71285045 UUEDFWQHWKWPET-UHFFFAOYSA-N 371.397 1.399 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 13525787 GJFKBBWRFAARTD-OKILXGFUSA-N 371.437 1.903 0 40 FDAB COC(=O)c1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 39979725 YDMRCFWXFYJMKT-UHFFFAOYSA-N 361.419 1.948 0 40 FDAB CC1=NN(Cc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4316622 UISTWXUIKSHWCO-UHFFFAOYSA-N 372.816 1.483 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 13948615 GFYZSHQBFBRORZ-CYBMUJFWSA-N 360.501 1.466 0 40 FDAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(-n2cnnn2)c1 6507362 JBLFAJSDSDSXLQ-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(C2CC2)n1N 5938198 ANAWQFRZWUGVEL-UHFFFAOYSA-N 363.443 1.966 0 40 FDAB Cc1nnc([C@@H](NC(=O)CNC(=O)C2CCCC2)c2ccccc2)n1C 71794513 MWEAYDURQRTLHN-KRWDZBQOSA-N 355.442 1.636 0 40 FDAB CSc1ncccc1C(=O)OCC(=O)Nc1sccc1C(N)=O 7657374 TZIQDCHGIANTRR-UHFFFAOYSA-N 351.409 1.759 0 40 FDAB CS(=O)(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 8050949 HYGXSDBCUFUJGB-LBPRGKRZSA-N 363.457 1.951 0 40 FDAB COCCOc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1OC 8106183 ZJKSXYAEXDLZSY-UHFFFAOYSA-N 352.456 1.593 0 40 FDAB Cc1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 8190419 NERPKHGQQIEKCM-UHFFFAOYSA-N 357.435 1.692 0 40 FDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCC2CCC2)c1 69815761 PSKGILXGIZZECU-UHFFFAOYSA-N 359.426 1.928 0 40 FDAB COc1ccc2cc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)c(C)nc2c1 9752266 MIDIJKQIXUDMQI-NSHDSACASA-N 357.366 1.649 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710195 QMVCTKNQXYELCQ-UHFFFAOYSA-N 356.411 1.845 0 40 FDAB CC1CCN(c2cccc(NC(=O)NC[C@H](C)S(N)(=O)=O)c2)CC1 95454979 LXVFPCDCNSVNRP-ZDUSSCGKSA-N 354.476 1.721 0 40 FDAB O=C(NCCc1nnc2n1CCC2)C(=O)Nc1ccc(Cl)cc1Cl 95461153 LWWBGOICFXYYFD-UHFFFAOYSA-N 368.224 1.829 0 40 FDAB Cc1n[nH]cc1CN1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95999787 XSGKDLILZFQOLC-AWEZNQCLSA-N 359.396 1.389 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC(COc3ccccn3)CC2)cn1 75103724 DEWBYGRBLQJNLE-UHFFFAOYSA-N 350.444 1.778 0 40 FDAB O=C(COc1cccc(C(F)(F)F)c1)N1C[C@H](O)[C@@H](N2CCCC2)C1 89780689 QQTFNKWFKILMST-GJZGRUSLSA-N 358.360 1.752 0 40 FDAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCCO 408602631 INIYJETZFISQAT-UHFFFAOYSA-N 370.471 1.129 0 40 FDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 408605150 MSZHGHUWHFXLPD-CQSZACIVSA-N 374.462 1.947 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2n[nH]c3c2CCC3)n1 548349914 SUSLDAJGEZHWCZ-RYUDHWBXSA-N 373.436 1.101 0 40 FDAB O=C(c1cccs1)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341951 ONCSAWDCCFUOEQ-AWEZNQCLSA-N 355.423 1.968 0 40 FDAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(CO)CO)n2)n1 72384845 IUBHAHLRPBRJIE-INIZCTEOSA-N 372.473 1.816 0 40 FDAB O=C(c1nc(N2CCOCC2)ncc1Br)N1CCSCC1 72243431 HNJZNPBSMJJAGN-UHFFFAOYSA-N 373.276 1.265 0 40 FDAB CC(=O)N1CCC(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 73998866 WFJTVKLUUBFJGN-UHFFFAOYSA-N 351.790 1.375 0 40 FDAB CCOc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCN(CC)CC2 71980249 JPQPPPAXQWYVQC-OAHLLOKOSA-N 362.426 1.823 0 40 FDAB CN(C[C@@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 225791187 OAQOAHKQGVMOJZ-AWEZNQCLSA-N 374.418 1.883 0 40 FDAB CNC(=O)CCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227153023 ACZUDAVCOJFZTN-NSHDSACASA-N 350.806 1.545 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(O)c(OC)c2)o1 96113778 IAXVNJHBOCBDBL-GFCCVEGCSA-N 364.350 1.901 0 40 FDAB biogenic CCc1nn(C)cc1CN1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 583615405 UTRAVLPLQBMIRN-OAHLLOKOSA-N 352.479 1.067 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96218695 QXHFKBRIYAIYCR-PKOBYXMFSA-N 354.410 1.999 0 40 FDAB O=C(NC1CCCCCC1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1 96253263 QXSILYJDXSYEIL-IXDOHACOSA-N 365.474 1.367 0 40 FDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96223449 NYAAHGRDBOFCAU-VQIMIIECSA-N 353.426 1.772 0 40 FDAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CCOCc2csc(C)n2)C1 248016077 HQCUASJBIMHMMX-OAHLLOKOSA-N 370.500 1.961 0 40 FDAB CCn1nc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cc1C 257307091 SXEDPUALQGHWAV-IRXDYDNUSA-N 354.410 1.468 0 40 FDAB CCOc1ccc2nnc(CNC(=O)Cc3cn(C)c4ccccc34)n2n1 253406790 UXRNXIVEQJANGQ-UHFFFAOYSA-N 364.409 1.874 0 40 FDAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccon1 253398668 HICZCFGADKTPPB-HNNXBMFYSA-N 363.420 1.788 0 40 FDAB CN1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)CC1 257212359 CDASDJGSSYDDLZ-GHTZIAJQSA-N 355.482 1.993 0 40 FDAB C[C@]1(O)CN(C(=O)c2cnn3cccnc23)CC[C@@H]1Oc1ccccc1 257260245 LBZCONPOKLGFGD-LPHOPBHVSA-N 352.394 1.774 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)c3ccccc32)cn1C 681694716 MVPCJUVXFSXBEO-UHFFFAOYSA-N 374.466 1.562 0 40 FDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c2ccccc21 628257239 FORWZVRBBGSDIY-QZTJIDSGSA-N 354.410 1.659 0 40 FDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575403014 FMJMILIRWLAYFO-ZDUSSCGKSA-N 364.352 1.896 0 40 FDAB Cc1ccc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)o1 585103036 LATDXBQBJHYGEX-CQSZACIVSA-N 363.439 1.446 0 40 FDAB COc1cc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)ccn1 585278456 STXIBBBBIXWBHQ-LJQANCHMSA-N 358.394 1.373 0 40 FDAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cnccn3)no2)c1=O 823024199 DLWLQPSQARREFX-UHFFFAOYSA-N 364.365 1.462 0 40 FDAB CN(C1CC1)S(=O)(=O)N[C@H](Cc1c(F)cccc1Cl)C(=O)O 681579706 UUUCQRQPLBYNCJ-GFCCVEGCSA-N 350.799 1.403 0 40 FDAB CCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccnc(N2CCCC2)c1 44024537 PCCIJXFGVTZOON-CYBMUJFWSA-N 354.476 1.016 0 40 FDAB C[C@@H](CC(=O)O)N1CCN(C(=O)c2cnn3cccc(Cl)c23)CC1 630221238 WCOAFWWWLIDSQH-NSHDSACASA-N 350.806 1.609 0 40 FDAB CCCc1nc(CN2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cs1 681941818 SEMBQWJCRWKCJY-AWEZNQCLSA-N 355.460 1.230 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1cccs1 1548925276 KNRUODPRLHRTJT-RCCFBDPRSA-N 356.451 1.925 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)c2cccs2)nn1 1549161049 JNQASIVBSCRDIL-MISXGVKJSA-N 350.444 1.195 0 40 FDAB COc1ccc(C2=NC(N3CCOCC3)=NP(N3CC3)(N3CC3)=N2)cc1 5249212 QERYMRUGPLYIMF-UHFFFAOYSA-N 374.385 1.721 0 40 FDAB COC(=O)CNC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12157599 NIXSJWXIOLUUAQ-INIZCTEOSA-N 374.437 1.964 0 40 FDAB CCCCCc1c(O)nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c1=O 13116563 WNZASDDOPZXQIO-NSHDSACASA-N 355.460 1.596 0 40 FDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)Cc2ccccn2)CC3)cn1 13227859 JQQAWERITGMSFB-UHFFFAOYSA-N 362.393 1.470 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268077 NWZQWNWMXWZZBP-OLZOCXBDSA-N 355.398 1.382 0 40 FDAB Cc1ccc([C@H]2CC(=O)c3cnc(N4CCN(C=O)CC4)nc3C2)cc1 14671903 ZDARVECZRBELQB-MRXNPFEDSA-N 350.422 1.976 0 40 FDAB CC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)=O)CC4)CC1 19016808 XJBFWPDQBQUJSW-UHFFFAOYSA-N 357.414 1.065 0 40 FDAB CN(CC1(C)COC1)C(=O)Cn1c(CN2CCOCC2)nc2ccccc21 19656286 KDNGJDBMGCCTIW-UHFFFAOYSA-N 372.469 1.363 0 40 FDAB CN(C(=O)CN1CCc2nnc([C@@H]3CCCN3)n2CC1)C1CCCCC1 19706296 BKXXBWQSILVDPH-INIZCTEOSA-N 360.506 1.352 0 40 FDAB CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)COc1ccccc1)CC2 19711537 VRHSIIAMJORTEK-KRWDZBQOSA-N 367.453 1.907 0 40 FDAB COc1ccccc1C[C@@H](C)NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1 19747447 YPKSPGYUXZQVEE-OAHLLOKOSA-N 373.497 1.543 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NCCc1cccc(C(F)(F)F)n1 644486531 CAEICXULWLXRHN-GFCCVEGCSA-N 359.348 1.133 0 40 FDAB CCn1c(O)nc2ccc(C(=O)N3C[C@H](C)S(=O)(=O)[C@@H](C)C3)cc21 655092027 RYBPAOOMFNHZLJ-QWRGUYRKSA-N 351.428 1.409 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 248377802 HTNDDOLHEQGGHW-IAOVAPTHSA-N 354.406 1.616 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253406020 UCJHGTYZYGCRIS-XOKHGSTOSA-N 357.410 1.239 0 40 FDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 7166533 DIZJBTLVWAMSNK-OAHLLOKOSA-N 357.332 1.608 0 40 FDAB O=C([C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCSCC1 1888834748 QEALNBPTHWUKSU-LBPRGKRZSA-N 361.389 1.881 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n(C)n1 1888866925 YKXYHQGXKMHLMY-HUUCEWRRSA-N 366.469 1.524 0 40 FDAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CCn2nccn2)CC1 1889149527 ZYDRYLAMJIWYIV-UHFFFAOYSA-N 370.432 1.848 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889208404 RSHRORPXDUTIRJ-CMPLNLGQSA-N 364.393 1.417 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)n1 1614940061 FVMGQBGXVGHMSX-OAHLLOKOSA-N 357.414 1.191 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@H]2O1 1565544622 OMWHLESBGGZBSR-CWRNSKLLSA-N 369.425 1.382 0 40 FDAB O=C(NCCO)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374788 KFFUWEMIESPQON-UHFFFAOYSA-N 373.434 1.388 0 40 FDAB O=C(NC1CCCCC1)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713390 INQJSTMRXMBBSF-CQSZACIVSA-N 360.458 1.367 0 40 FDAB c1cnn(-c2cc(N3CCN(c4nc(C5CC5)ns4)CC3)ncn2)c1 2086889445 AALYZOSOAMWZRW-UHFFFAOYSA-N 354.443 1.718 0 40 FDAB O=C(CN1CCC[C@H](NS(=O)(=O)C2CC2)C1)Nc1ccccc1F 2086881905 AGNOFSUSXUHACF-LBPRGKRZSA-N 355.435 1.310 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220697350 AHEAIZASHOQNKJ-CYBMUJFWSA-N 370.388 1.949 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC2CCN(c3cnsn3)CC2)c1 575615411 DNZJHIZBNMLGJH-UHFFFAOYSA-N 366.468 1.688 0 40 FDAB O=C(c1cc2n(n1)CCCO2)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255753 YHCHZSOTJFBPBH-CYBMUJFWSA-N 365.393 1.902 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccoc1)c1ccco1 618255138 MDEIXJQIRMZCLA-OAHLLOKOSA-N 352.368 1.692 0 40 FDAB O=C(CNC(=O)NC1CCC2(CC1)OCCO2)Nc1ccc(F)cc1 50113437 LLGPDIJZYLLTFK-UHFFFAOYSA-N 351.378 1.749 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3[nH]nc(C)c3Br)CC2)on1 40156464 OUKJDIJSBVYOPD-UHFFFAOYSA-N 368.235 1.735 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 101013108 IEHQBNFJYIHNLR-BETUJISGSA-N 361.361 1.540 0 40 FDAB CCNC(=O)N1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 78620490 NTNYCKPGSLWKIV-UHFFFAOYSA-N 360.458 1.006 0 40 FDAB COc1ccc(C=NNc2ncc(F)c(N3CCOCC3)n2)c(OC)c1 4091070 NFKQVQNOIHRQCJ-UHFFFAOYSA-N 361.377 1.916 0 40 FDAB COc1ccc(CN(C(=O)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 6357717 DPSWQWTURISDTB-AWEZNQCLSA-N 355.456 1.876 0 40 FDAB CC(C)Nc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 849571 ZKWUHYTUUNWDJB-UHFFFAOYSA-N 365.463 1.895 0 40 FDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 23077712 MRUIBHRQEJPGDX-UHFFFAOYSA-N 351.432 1.540 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2oc(=O)ccc2c1 54253729 SAWAUXKCVFVOSI-KBPBESRZSA-N 354.362 1.907 0 40 FDAB CCN1CCN(c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2C)CC1 12521890 UVDMMKPCMLTWCG-UHFFFAOYSA-N 355.442 1.483 0 40 FDAB CSc1ccccc1-n1nnn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103008097 DKXQUPIJTAYYRT-NDMJEZRESA-N 350.425 1.776 0 40 FDAB COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1 1388692 FYJXOMLVELCADQ-WDEREUQCSA-N 358.803 1.961 0 40 FDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(O)c1 3295200 JCSUMKWOGMQHLA-UHFFFAOYSA-N 364.379 1.144 0 40 FDAB CCCCn1/c(=N/C(=S)N(C)C)ss/c1=N/C(=S)N(C)C 104277120 VCNTXUVTNPELIL-HEEUSZRZSA-N 363.603 1.906 0 40 FDAB CCOc1ccc2ccccc2c1CNCCNC(=O)c1nonc1N 2181826 ZERMOLYIYYCIGB-UHFFFAOYSA-N 355.398 1.723 0 40 FDAB C[C@H]1C(=O)NCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 58378327 HLNKCHOBRFILIM-LBPRGKRZSA-N 362.407 1.214 0 40 FDAB O=C(NCc1cc(O)n2nc(C3CCOCC3)cc2n1)c1cccnc1 100769344 HXUPGZWIOQDTLS-UHFFFAOYSA-N 353.382 1.654 0 40 FDAB Cc1nn(Cc2ccc(C(=O)NCCN3CCOCC3)o2)c(C)c1Cl 27981100 IQEBMDZIYWOLIC-UHFFFAOYSA-N 366.849 1.857 0 40 FDAB COc1ccc([C@H]2N=C(N3CCN(C)CC3)Nc3nc(C)cc(=O)n32)cc1 104280009 RPXWDIQHNBQPMZ-KRWDZBQOSA-N 368.441 1.136 0 40 FDAB COCCn1nc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1=O 28750846 QWLBNUDKMIHHGJ-UHFFFAOYSA-N 356.382 1.269 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nnc(CC(C)C)s1 24842212 HUSZQMBWXAQEMV-UHFFFAOYSA-N 370.456 1.645 0 40 FDAB COc1cccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 113968490 KPXICFKORGRGKP-UHFFFAOYSA-N 369.487 1.015 0 40 FDAB NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 29143097 ZCZLQNPVKLGIND-CQSZACIVSA-N 355.369 1.594 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)CCOc2ccc(C)cc2)n(C)c1 29707089 UGRVYFMDORVPRC-UHFFFAOYSA-N 365.455 1.393 0 40 FDAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 2635213 PAQWOSZEEDNBMB-UHFFFAOYSA-N 358.379 1.769 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)co1 72405557 FVCDKPIFEQKHTF-UHFFFAOYSA-N 367.361 1.930 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19533427 RZXLJQQOZLAWAX-CQSZACIVSA-N 369.487 1.014 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)c1ccccc1 4454220 AZHKMVBZUPPNSP-CQSZACIVSA-N 369.425 1.147 0 40 FDAB COCCN1C(=O)C(=O)N(CN(C)Cc2nc3ccccc3s2)C1=O 14161764 VSETYJLTNQDIDJ-UHFFFAOYSA-N 362.411 1.123 0 40 FDAB Cn1c(CCc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 4695464 WQBSKMXBXXSXNY-OAHLLOKOSA-N 360.483 1.988 0 40 FDAB CCC[C@@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 6604970 NCDFFPALDRTJNB-CYBMUJFWSA-N 370.519 1.979 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O 6679467 LGJPNDBOOWMVAK-UHFFFAOYSA-N 363.826 1.732 0 40 FDAB CN(C)CCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 4785020 AHNUIUGFPSDLQN-UHFFFAOYSA-N 368.286 1.292 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(F)c1 6819015 RRVKZEMYLRISND-UHFFFAOYSA-N 367.402 1.437 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 6881876 GMRQYQXVNJBIKE-GFCCVEGCSA-N 366.356 1.793 0 40 FDAB COc1cc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc(OC)c1OC 7757456 CDPCFBQXTINLMK-UHFFFAOYSA-N 356.338 1.907 0 40 FDAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1N 8140348 HJZYIEUZNZXCBY-ZETCQYMHSA-N 363.369 1.907 0 40 FDAB COc1ccc(CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 23080685 MIMAOSZEGSZSQH-UHFFFAOYSA-N 369.377 1.979 0 40 FDAB Cc1ccc(-n2cnnc2SCC(=O)N2CCNC2=O)cc1Cl 8710933 WNOSGPMUKGFJDC-UHFFFAOYSA-N 351.819 1.873 0 40 FDAB Cc1ccccc1C1(CNC(=O)c2ccc(C(N)=O)cn2)CCOCC1 95393411 UZBZORRMTJGPGP-UHFFFAOYSA-N 353.422 1.967 0 40 FDAB CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 84752987 GVEWQKOSCZAQTM-GFCCVEGCSA-N 353.806 1.206 0 40 FDAB CS[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1N1CCCC1 95941529 PGIVEXRCUPZBJG-UONOGXRCSA-N 350.513 1.768 0 40 FDAB C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@H]1O 67903611 UGXCXZZEKHRPJT-REVSRQRUSA-N 368.470 1.505 0 40 FDAB biogenic,in-vitro Cc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)s1 36763039 IWOQCFMCLXRROP-UHFFFAOYSA-N 354.439 1.995 0 40 FDAB CN1C(=O)CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)C1=O 567583903 WZJFODMOZJMDIN-LBPRGKRZSA-N 359.382 1.699 0 40 FDAB NC(=S)Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396664 CCBVWJUGBSILDW-UHFFFAOYSA-N 354.370 1.637 0 40 FDAB CCN1CCN(Cc2ccc(CNC(=O)c3ccc(O)nn3)cc2)CC1 48325287 BFKIECNXRSDDRT-UHFFFAOYSA-N 355.442 1.250 0 40 FDAB O=C(C1CCCCC1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224316805 ZYZRIGFEVGUOCX-UHFFFAOYSA-N 359.474 1.542 0 40 FDAB CN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)[C@@H]1CCCC[C@H]1O 224233316 IEQJMBSEGHREEA-HZPDHXFCSA-N 354.472 1.210 0 40 FDAB CNC(=O)c1cnc(SC)nc1N(C)S(=O)(=O)c1ccc(C)cc1 223400069 MKZRJJKCCTXMGD-UHFFFAOYSA-N 366.468 1.692 0 40 FDAB Cc1nccn1CCNC(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1 239611958 FGBJSPHPIGKLLA-ZDUSSCGKSA-N 350.806 1.838 0 40 FDAB O=C(NCc1ccc2c(c1)COC2)NC1CCC(N2CCNCC2)CC1 584042806 VNHHONPEMBYYHV-UHFFFAOYSA-N 358.486 1.732 0 40 FDAB C[C@@H]1CCN(S(=O)(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)C1 582766300 FEHDHKUOMRYUFY-LLVKDONJSA-N 351.428 1.205 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)C2)n1 332411502 KHLRGNBKQNEOHG-GFCCVEGCSA-N 358.402 1.886 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(C(=O)N1CCCC1)C2 96056990 UPJBOSCZWWZNOP-CRAIPNDOSA-N 353.463 1.178 0 40 FDAB Cn1ncc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1N 583624001 PWMLQSFIGZDSQH-ZDUSSCGKSA-N 356.430 1.291 0 40 FDAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)NC(C)C)CC2 96260560 IZTSBQKDKVAJJB-UHFFFAOYSA-N 359.474 1.782 0 40 FDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)COc1ccc(C)cc1)C2 248014555 KMNRIZAWDFJVAG-CQSZACIVSA-N 353.440 1.036 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2ccc(C(=O)O)nc2)[C@@H]1c1cncn1C 585139521 MLRZPGUPDZDLBA-BLLLJJGKSA-N 357.414 1.326 0 40 FDAB Cc1cc([C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc34)CCO2)ccn1 257207000 BFVMBAHLYYHDAA-INIZCTEOSA-N 350.378 1.840 0 40 FDAB Cc1noc(CCC(=O)N2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)n1 257288234 PTLMQVJNKJUSRZ-INIZCTEOSA-N 368.397 1.696 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCCCN3)nc2n(Cc2ccccc2)c1=O 257289653 PZPSGYMAEVIVAE-MRXNPFEDSA-N 350.422 1.958 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CCCN(C)c2ccccc2)CCN1C(C)C 257214836 CNPHCCZWUPDTQS-SFHVURJKSA-N 360.502 1.570 0 40 FDAB COc1ccccc1C(=O)N1CCO[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 257256519 KLUYRTKFTDAVRO-MRXNPFEDSA-N 358.398 1.268 0 40 FDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1ccc2nsnc2c1 253397860 GDOGZWKVFQEQLK-UHFFFAOYSA-N 370.369 1.365 0 40 FDAB Cc1cc(C)n2ncc(CN3CCOC[C@H](Cc4ccncn4)C3)c2n1 257199886 ABDNZWNUTGRWLN-MRXNPFEDSA-N 352.442 1.827 0 40 FDAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(Cl)cc1 594377390 YESCAENSHVIPFK-AEGPPILISA-N 364.829 1.581 0 40 FDAB C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H](c2nc(C3CC3)no2)O1 623173551 OYTDYKWUWQUFCJ-ZWNOBZJWSA-N 354.370 1.592 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2nc(C)nc(O)c2C1 636283705 NWXFPMROYLSGAZ-KRWDZBQOSA-N 352.394 1.306 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)Cc2c[nH]c3ccc(OC)cc23)C1 644035457 PUFJSIGOLXZLQU-IBGZPJMESA-N 359.426 1.209 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)N1CC(Cc3ccccc3Cl)C1)N(C)C2 644381725 ANISMDMDRFIRKY-MRXNPFEDSA-N 359.861 1.755 0 40 FDAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3nccs3)cc2C1 656875858 KQCIVAOIDZHZRH-UHFFFAOYSA-N 357.482 1.588 0 40 FDAB CCn1ncc(C(=O)N2CCN(C(=O)C3CC3)C3(CCOCC3)CC2)c1C 1775962780 FQBHBQHSZILDRP-UHFFFAOYSA-N 374.485 1.845 0 40 FDAB Cn1c(=O)c2nc(CCC(=O)Nc3ccccc3)c(=O)[nH]c2n(C)c1=S 1776004855 ZSJNQULQHQOACO-UHFFFAOYSA-N 371.422 1.261 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]21)c1cccnc1 575406845 VRWGFNDBKMKRLM-KBAYOESNSA-N 367.405 1.304 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCC2 650231281 JZPBQCAZZSGURP-MRXNPFEDSA-N 355.412 1.266 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3ccccn3)CC(F)(F)C2)C1=O 585093319 PDQSDLNQMNEPOJ-INIZCTEOSA-N 353.369 1.428 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H]2CO)C3)[nH]1 585105092 XRRXORNKAFMJGF-JKSUJKDBSA-N 362.474 1.186 0 40 FDAB CN(C)c1ncc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cn1 36741169 DKJHZYJSULUESS-UHFFFAOYSA-N 373.432 1.519 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CNc1ccc2c(c1)OC(F)(F)O2 50275606 NXVVJOOGIPPTNI-UHFFFAOYSA-N 357.357 1.793 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC([C@H](O)C(=O)NC3CC3)CC2)c1 548023613 FNTCVJPYKMPALG-BEFAXECRSA-N 373.497 1.982 0 40 FDAB CCCC[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C)C(=O)O 2562351 UNFUZRFLIVWVRD-MMPTUQATSA-N 359.444 1.124 0 40 FDAB in-vitro CN(C)CCNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595671 JIXMAPWOEUJDKI-AOIWGVFYSA-N 361.461 1.895 0 40 FDAB CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5680595 RGVZZBVUEBOZAJ-UHFFFAOYSA-N 360.863 1.747 0 40 FDAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(F)cc1 5241256 GHFRNCYGBRJYJB-LBPRGKRZSA-N 360.341 1.949 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@@H]2COc3ccccc3O2)cc1 5929547 SFPAQMHRRBYCEQ-CYBMUJFWSA-N 362.407 1.823 0 40 FDAB Cc1nc2ccccc2c2nn(CC(=O)NCc3cccs3)c(=O)n12 12144980 URKMGLQWFULEEL-UHFFFAOYSA-N 353.407 1.731 0 40 FDAB COc1ccc(CNC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12146668 OBHMWTWLDOKQNT-UHFFFAOYSA-N 354.366 1.411 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)s1 12560930 IOIZROBCUJSBDR-UHFFFAOYSA-N 354.409 1.883 0 40 FDAB CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 13036886 JNEPLSMDTRORFH-UHFFFAOYSA-N 355.377 1.408 0 40 FDAB O=S(=O)(NCCc1nnc2ccccn12)c1ccc2c(c1)OCCO2 17043959 DZFZWDOZBOYLMO-UHFFFAOYSA-N 360.395 1.022 0 40 FDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 19572190 DMKUFLKDYJIOJK-UHFFFAOYSA-N 371.412 1.739 0 40 FDAB N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 101273558 KNEYGOJFOKQPQX-WPRPVWTQSA-N 363.222 1.770 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 663288214 FBBICYVQATWZNP-LLVKDONJSA-N 356.419 1.859 0 40 FDAB CCCN1C[C@@H](C(=O)Nc2cnn(CC(=O)N3CCCCC3)c2)CC1=O 19746347 UJPOJGXARUTFRW-AWEZNQCLSA-N 361.446 1.093 0 40 FDAB Cc1cc(C)nc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)n1 1888866999 UBEXMKFVHQGNIY-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB O=S1(=O)N=C(N2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3C2)c2ccccc21 1888879381 IWUDBCRXZXTACZ-TXEJJXNPSA-N 373.413 1.133 0 40 FDAB FC(F)(F)c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)ncn1 1889151293 KGKHHWNNASJADU-UHFFFAOYSA-N 350.308 1.488 0 40 FDAB Cc1cc(N2CCN(c3nc(C)nc4cnccc34)CC2)nc(N(C)C)n1 1889151299 MWJMCLMCJNSXTP-UHFFFAOYSA-N 364.457 1.824 0 40 FDAB O=C(N1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1)C1(F)CCC1 1565552729 UQFQZVKWVRBRGT-IRXDYDNUSA-N 353.482 1.666 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 14192835 HCHQULBASIDSOP-UHFFFAOYSA-N 356.451 1.841 0 40 FDAB COc1ccc(-n2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)cc1 15675230 SEYLFSYJQUZQFF-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)sc2c1CCC2 22440663 FFAOSOOBFAJPRY-UHFFFAOYSA-N 365.499 1.990 0 40 FDAB Cc1nnc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)s1 23137040 NQVAZZGVCPLXMV-SECBINFHSA-N 367.456 1.144 0 40 FDAB 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FDAB CC1(C)NC(=O)N(CCCN2CCNC(=O)C[C@H]2c2ccccc2)C1=O 52835457 SVDFUZPSVOVSRC-HNNXBMFYSA-N 358.442 1.270 0 40 FDAB COCCn1nc(C(=O)N(C)CCOc2cc(C)cc(C)c2)ccc1=O 21962032 WIWLMBFIXVGTLB-UHFFFAOYSA-N 359.426 1.658 0 40 FDAB CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O 820824 NXEGGUUFKSTWTR-UHFFFAOYSA-N 363.215 1.727 0 40 FDAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O 2509852 NYDLNSAKSFUOLE-LLVKDONJSA-N 361.287 1.679 0 40 FDAB CCc1ccc(CN(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7989662 AFJZBUXMYFGFNF-UHFFFAOYSA-N 359.451 1.705 0 40 FDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCCCNC1=O 47275084 ALAHPNUBPAQITR-GOSISDBHSA-N 365.433 1.868 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)c1 47403577 LEXOQJYCHIRSPB-LLVKDONJSA-N 370.413 1.684 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccnc2N2CCOCC2)C1 23642192 YWRUTOBHPLPCFS-HUUCEWRRSA-N 361.442 1.580 0 40 FDAB Cn1c(=O)c(-c2csc(N)n2)nn(-c2cc(Cl)cc(Cl)c2)c1=O 1383306 BBGLKKWUHYRNPX-UHFFFAOYSA-N 370.221 1.944 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 56280021 NRBNOUKAWLOUQH-AWEZNQCLSA-N 369.421 1.819 0 40 FDAB CCOC(=O)NCCC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 57078291 SKCCEGJQSLVIBD-UHFFFAOYSA-N 363.414 1.763 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(Cl)c1 35310677 RIOKBOJAFMYALU-MRXNPFEDSA-N 365.861 1.910 0 40 FDAB CCOCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1840500 UTWPYWJRHDFHIZ-UHFFFAOYSA-N 357.414 1.096 0 40 FDAB CS(=O)(=O)N1CCCN(CN2C(=O)c3cccc4cccc2c34)CC1 27087791 MKEWGKYTRVVRPH-UHFFFAOYSA-N 359.451 1.725 0 40 FDAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC(C(N)=O)CC1)CC3 2323450 IQYOKMPFILWRJY-UHFFFAOYSA-N 354.454 1.558 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 3377429 LVKXZKGVURMIHQ-UHFFFAOYSA-N 369.324 1.673 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)Cc1ccccc1-2 46277473 VRGTYCUOWPHXHO-UHFFFAOYSA-N 368.389 1.887 0 40 FDAB CC[C@H](C)NC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 3451378 ZFLLYYAWCFHGJL-QMMMGPOBSA-N 355.489 1.850 0 40 FDAB Cc1cnc(C(=O)N2Cc3cncn3[C@@H](COc3ncccc3F)C2)cn1 306137964 RLCYETDZKOROFY-CQSZACIVSA-N 368.372 1.792 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 13637683 TXPHSFXNALZVMN-MRVPVSSYSA-N 370.232 1.259 0 40 FDAB O=C(Cn1c(NCCO)nc2ccccc21)Nc1ccc2c(c1)OCCO2 5185415 YQEXQYXJXLIZBZ-UHFFFAOYSA-N 368.393 1.850 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 4352513 FGHKLDLTUGNPQT-KOLCDFICSA-N 367.155 1.256 0 40 FDAB COCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 9051720 BJSIIUBHUWAPBQ-IBGZPJMESA-N 361.442 1.514 0 40 FDAB CC(C)CN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 14183732 OPUUGKYKNZGDMW-CQSZACIVSA-N 373.496 1.375 0 40 FDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccccc1 14117693 UWVBNLGOLPRGRX-VBKZILBWSA-N 368.389 1.656 0 40 FDAB CCCOc1ccc(NC(=O)COCC(=O)NC[C@H]2CCCO2)cc1 4682636 NNRNCFHDRWIPOY-MRXNPFEDSA-N 350.415 1.726 0 40 FDAB COc1cc([C@H]2ON=C(CN3CCOCC3)[C@H]2C)c(OC)c2c1OCO2 15085703 PPQZOQYNQLDIDU-ABAIWWIYSA-N 364.398 1.828 0 40 FDAB Cc1cc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)ccn1 15843056 CJZDLYAAGQRUQD-NSHDSACASA-N 359.407 1.955 0 40 FDAB C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 7787425 JEVNMYUWXNOFFH-MRXNPFEDSA-N 365.499 1.251 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8134411 OQRQXVDLTNYEJH-UHFFFAOYSA-N 367.390 1.552 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1cnc2cc(F)ccc2c1=O 8506811 HXXMDLGXBGYNLH-UHFFFAOYSA-N 371.368 1.739 0 40 FDAB CN(CC(C)(CO)CO)C(=O)Cn1c(SC(F)F)nc2ccccc21 95444600 DWPDDBAYURBSAE-UHFFFAOYSA-N 373.425 1.800 0 40 FDAB COC(=O)CCN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@@H](C)C1 95985654 IVXURRWHBOQXKB-HNNXBMFYSA-N 371.441 1.973 0 40 FDAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(C(=O)C3CC3)C[C@@H]1C2 306134312 NISYEAXNRUVQAU-KBPBESRZSA-N 351.410 1.571 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 36757980 PQRNSRHKFWVQND-CYBMUJFWSA-N 368.455 1.590 0 40 FDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217507940 SWMBJQUHUFQCAG-UHFFFAOYSA-N 360.432 1.148 0 40 FDAB NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](c3ccncc3)C2)c1 558053243 CDQULOXZKQXEFI-KRWDZBQOSA-N 359.451 1.890 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(C(=O)NC2CC2)cc1 32869249 DPQIKSPNPIOQON-UHFFFAOYSA-N 370.409 1.382 0 40 FDAB Cc1cc(C)n2nc(CC(=O)NCc3cccnc3-n3cccn3)nc2n1 48235896 XQODBFWPSQECKL-UHFFFAOYSA-N 362.397 1.181 0 40 FDAB CN(C)C1(CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)CCCCC1 49548798 WCMSJVARACCCPI-UHFFFAOYSA-N 370.457 1.587 0 40 FDAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2c2ncon2)c1 329972800 ZGJFHEDPORZICA-AEGPPILISA-N 359.382 1.790 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCN(c2nccs2)CC1 40033833 MZRAAAZWKUALLR-UHFFFAOYSA-N 355.423 1.202 0 40 FDAB CN1C(=O)C[C@@H](CNCc2cn(C)nc2C(C)(C)C)[C@@H]1c1nccn1C 583616535 GZSXKZPNKQPNQM-XJKSGUPXSA-N 358.490 1.760 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(O)CCSC1 583622046 HJERCZDDRSFBHE-HEHGZKQESA-N 357.451 1.188 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)c2ccno2)C1 96244504 DBJAPXSCBYKAIR-LJQANCHMSA-N 369.425 1.909 0 40 FDAB COc1ccccc1NC(=O)/C=c1/s/c(=C/c2cccs2)c(=O)n1C 97992807 JPPPTHHBDUQGIZ-OMRAMHMRSA-N 372.471 1.765 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96226124 KNPFPCXMGWBSKN-LJQANCHMSA-N 367.409 1.728 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 96159125 FDSGVDICZRKMNS-UHFFFAOYSA-N 352.394 1.515 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N[C@]3(CO)COc4ccccc4C3)ccc21 529820450 PSASFRCDSRXJEZ-OAQYLSRUSA-N 366.417 1.692 0 40 FDAB CCN(CC)CCC(=O)N[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O 584906977 YGRSBHYHAVGBPG-GOSISDBHSA-N 372.469 1.775 0 40 FDAB Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)Nc1cnc(C2CC2)nc1 585138553 ASSGLSRLDAKMNY-INIZCTEOSA-N 364.413 1.990 0 40 FDAB CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257312790 UPMPPTCJRNDSIV-AWEZNQCLSA-N 371.441 1.483 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NC[C@]1(O)CCN(c2ccccn2)C1 257341731 ZLTCIPNEVZTWKV-OAQYLSRUSA-N 351.450 1.870 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)CC1 257334541 YGJHQVNRTJTPGN-INIZCTEOSA-N 357.458 1.511 0 40 FDAB CCn1nc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1C 257304642 SMMDKFZEIAZXRC-SFHVURJKSA-N 358.446 1.105 0 40 FDAB CN1CCC(N2CCC[C@@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)CC1 257343983 ZVFLZDPNBFWLEN-OAHLLOKOSA-N 370.501 1.705 0 40 FDAB COCCn1cc(C(=O)N2CCN(C)[C@H](C(=O)N(C)C)C2)c2ccccc21 257284647 PDRFCRKKMOKAMS-SFHVURJKSA-N 372.469 1.132 0 40 FDAB Cc1cc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)[nH]n1 257220321 DKJPORCKTKYYOD-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB COc1ccccc1Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccn1 257234280 GSWGYBCQMSEDCJ-IBGZPJMESA-N 374.462 1.988 0 40 FDAB COc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)c1 257250693 JNPFAXCOGSAKAF-IAGOWNOFSA-N 357.362 1.658 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257234603 GUICRTSFEOHGPG-ROUUACIJSA-N 353.426 1.766 0 40 FDAB CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 1616028921 LNIDMQWWQYAQOG-BZUAXINKSA-N 351.472 1.608 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(Cn2cccn2)cc1 643953690 YRBOVEKFMBSBKM-IBGZPJMESA-N 356.426 1.299 0 40 FDAB Cn1c(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc(=O)n(C)c1=O 647864550 GSBZGVLYWMWEDH-UHFFFAOYSA-N 366.425 1.253 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1 648145518 BRJJWJAZEFEDGE-LSDHHAIUSA-N 351.472 1.053 0 40 FDAB Cc1cc(N2CCN(Cc3cnc(Br)cn3)CC2)nc(C)n1 1249492070 KHRUHKOGVHFVDE-UHFFFAOYSA-N 363.263 1.968 0 40 FDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(C(=O)c1cnc3ccccn13)C2 575406691 ZXKLMDDGVGLEMH-CYBMUJFWSA-N 374.466 1.139 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)COc3ncccn3)C2)cc1 585276549 MRPORCVIYIKZBS-IBGZPJMESA-N 357.410 1.596 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2ccco2)[C@H]2OCC[C@H]21 585109136 AKVIZMSXVIBGIT-SQWLQELKSA-N 359.382 1.430 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(C)c1)[C@H](C)C2 585096935 CUKZQRGCQVLLQD-CYBMUJFWSA-N 350.444 1.368 0 40 FDAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@]1(O)CCCOC1 585091640 CQAQFHJQWYFECQ-WOJBJXKFSA-N 373.453 1.115 0 40 FDAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(NCc3ncccc3O)ncn2)C1 685942461 NMSUSRULKDJCEE-KBPBESRZSA-N 358.446 1.345 0 40 FDAB O=C(c1cncc(O)c1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615154919 GXBAECPMVHXKIM-UHFFFAOYSA-N 367.405 1.825 0 40 FDAB COc1ccccc1C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 5754543 SHFLIPHYFVQKGE-UHFFFAOYSA-N 352.346 1.900 0 40 FDAB CC(C)N(CCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C 12141350 UREXHHNMHBKXSZ-UHFFFAOYSA-N 362.517 1.487 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 16173128 ZLWZHUWMOYXRMD-UHFFFAOYSA-N 359.407 1.479 0 40 FDAB CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)s1 17073023 UHCVYUMZZUAAFU-QCNOEVLYSA-N 352.412 1.616 0 40 FDAB Cc1nc(CC2CCN(S(=O)(=O)N(C)C)CC2)cc(N2CCCC2)n1 19758663 NLLXYONCFZRNCY-UHFFFAOYSA-N 367.519 1.446 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 9483736 WTDDXITZCRNIQI-ZDUSSCGKSA-N 369.874 1.672 0 40 FDAB c1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(N2CCCC2)n1 1889098125 SFXBDUWWNSLEPM-UHFFFAOYSA-N 351.458 1.682 0 40 FDAB COc1ccc2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)sc2c1 1889139411 LTCKXIBIQMXGAM-AWEZNQCLSA-N 363.439 1.369 0 40 FDAB Cc1nc(N2CCN(c3nccc(N(C)C)n3)CC2)c2ccncc2n1 1889148987 OUMSAEMSFQHJFA-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB CCN=c1nc(N2CCN(c3ncnc4cnccc34)CC2)cc(C)[nH]1 1889152063 NHKPXAAXPZZEFB-UHFFFAOYSA-N 350.430 1.304 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848736045 SFSUGKALQJYQOQ-CQSZACIVSA-N 359.401 1.811 0 40 FDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)cc1 6205027 ARTGRYRGMXMZHY-UHFFFAOYSA-N 363.277 1.984 0 40 FDAB Cn1cnc2cc(C(=O)NC[C@]3(O)CCCN(c4ccccn4)C3)ccc21 2037879983 DQCRFPYVJHRDRG-HXUWFJFHSA-N 365.437 1.730 0 40 FDAB Cc1ncnc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)c1C 1147066743 APXKGXSVHYQJGL-UHFFFAOYSA-N 357.462 1.571 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)CC1(O)CCC1)C2 1565553485 ZZWBGOBZCXFVDA-QFBILLFUSA-N 357.454 1.584 0 40 FDAB Cc1cc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)no1 5398482 TVTLDHUNSRGYGS-UHFFFAOYSA-N 354.322 1.574 0 40 FDAB O=C(c1cccc(Cl)n1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055747444 AGVDGCUETWIHJH-JKSUJKDBSA-N 358.829 1.855 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(F)c(F)c2)CC1 2055746449 GUIPFGRDNBLZAK-UHFFFAOYSA-N 363.412 1.891 0 40 FDAB COCCN1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 23127348 LCTAYHVBTGJQMK-UHFFFAOYSA-N 355.385 1.378 0 40 FDAB CN([C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 2086886917 CSHUWFBJSQBNHZ-SNVBAGLBSA-N 364.393 1.888 0 40 FDAB O=C(CSCc1ccccc1)N1CCN(S(=O)(=O)C2CC2)CC1 42383467 ADYHTMDNCUILBE-UHFFFAOYSA-N 354.497 1.556 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](c2ccc(Br)cc2)O1 820822 GMFOHYJTGTVINE-VIFPVBQESA-N 363.171 1.320 0 40 FDAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@H]1CSC[C@H]1O 36569757 OCNNTPLSPGJGQG-RXOUDOFYSA-N 368.436 1.299 0 40 FDAB CCOc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1OC 40090834 OBJROBAWDVLMQC-AWEZNQCLSA-N 370.471 1.524 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1Cn1cccn1 40153111 XXHSGSPCQIUVNW-CQSZACIVSA-N 352.394 1.959 0 40 FDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3ccccn3)CC2=O)c1 31893559 KYZFDVHKBNXGOJ-AWEZNQCLSA-N 369.421 1.811 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1OC 32102379 LQHKURCGMCIZOL-GOSISDBHSA-N 367.409 1.639 0 40 FDAB Cc1nn(C)c2ncc(C(=O)NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)cc12 32920959 OHLLYRXFIMKGPR-CHWSQXEVSA-N 359.474 1.894 0 40 FDAB Cc1cc2c(N3CCC(N4CCS(=O)(=O)CC4)CC3)ncnc2s1 97163732 UQVNNSWOYTUBRX-UHFFFAOYSA-N 366.512 1.699 0 40 FDAB CN(Cc1ccc(Cl)nc1)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103047290 BGGSVGZKLTVHSV-APYUEPQZSA-N 359.813 1.501 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1345886 JQDFPKKCJFEWOP-GOSISDBHSA-N 373.478 1.940 0 40 FDAB O=C(NCCc1nnc2ccccn12)c1c[nH]c2c(F)cccc2c1=O 79485908 LIWVHTMHJULUHM-UHFFFAOYSA-N 351.341 1.682 0 40 FDAB O=C1[C@H]2[C@H]3[C@@H]4[C@@H]5[C@H]([C@@H]2C2(OCCO2)[C@@]53Br)[C@@]14Br 103646593 GABJUTVSUROVBC-NPTIAHSQSA-N 362.017 1.331 0 40 FDAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298025 ZUHUKGONCRQMLW-KURKYZTESA-N 369.469 1.418 0 40 FDAB biogenic,in-vitro Cc1csc(=O)n1CC(=O)OCc1cc(=O)n2c(C)csc2n1 8391687 TUCCPVMHQQPVJS-UHFFFAOYSA-N 351.409 1.339 0 40 FDAB CCOc1ncccc1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 23101862 AJJDSLGSEATAGT-DJJJIMSYSA-N 374.441 1.597 0 40 FDAB Cc1ccc2nc(CSc3nnnn3C[C@@H]3CCCO3)cc(=O)n2c1 12586741 RGZLSAXYKJDWNS-ZDUSSCGKSA-N 358.427 1.461 0 40 FDAB CN(C)C(=O)CN1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 24688713 SAWNSGNUGGDETR-NTEUORMPSA-N 351.472 1.083 0 40 FDAB C[C@@H](Sc1ncc2ccccn12)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 26591811 PZQJWDOBSWXHBB-DGCLKSJQSA-N 353.469 1.460 0 40 FDAB O=C(CCCn1cnc2ccccc2c1=O)NCc1nnc2ccccn12 26504726 AMNSJAXDBXAWSJ-UHFFFAOYSA-N 362.393 1.536 0 40 FDAB O=C(OCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[n+]([O-])cc1 84419225 BJTORANHWADOPQ-UHFFFAOYSA-N 355.799 1.994 0 40 FDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(F)cc21 108121425 XTCOTZYEXILRGB-WFASDCNBSA-N 364.329 1.540 0 40 FDAB CC(C)OC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 97473282 ZSHSOFYXTALPQW-QGZVFWFLSA-N 359.470 1.641 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CCN(CC3CC3)CC2)c1 58162983 JRUVUEBVBRQEDR-HNNXBMFYSA-N 373.501 1.865 0 40 FDAB O=C1NN(c2cccc(C(=O)N3CCOCC3)c2)C(=O)[C@@H]2CC=CC[C@H]12 58264950 YJZBKGOSDDCZFR-JKSUJKDBSA-N 355.394 1.119 0 40 FDAB C[C@@H](C(=O)N(C)CC(=O)NCCOc1ccc2c(c1)CCC2)n1cccn1 58305408 QPZCCZNSQIUWQO-HNNXBMFYSA-N 370.453 1.586 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CCSCC[C@]516)[C@H]2[C@@H]43 104287660 LDQLPMQXZGNMGH-KIEAQODYSA-N 365.458 1.916 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2sccc2C)c(=O)n(C)c1=O 36389824 SJJFSHPYLYUEFE-UHFFFAOYSA-N 364.471 1.224 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1 48310065 JYIIJTZSINTXRW-CYBMUJFWSA-N 370.500 1.050 0 40 FDAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)o1)[C@@H]1CCS(=O)(=O)C1 12865662 AAFJIVUOPDRQHF-GXSJLCMTSA-N 359.473 1.463 0 40 FDAB CCNC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3468854 QJLSSUPUTJLELQ-UHFFFAOYSA-N 351.362 1.679 0 40 FDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 3434682 ANLUQDGVMMBZCI-UHFFFAOYSA-N 356.309 1.604 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 29508971 CCSOQESIVBGIKA-SUMWQHHRSA-N 369.421 1.379 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3ccccc23)C[C@@H](C)O1 29625478 FFDYHDYJVMVTKN-BETUJISGSA-N 350.444 1.481 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(F)F)CC3)CC2=O)cc1 60240797 XOEGGCHTSYIWFG-CQSZACIVSA-N 351.397 1.757 0 40 FDAB O=C(Cn1nc(O)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 2620421 JKBPAMFYDCEURD-UHFFFAOYSA-N 364.405 1.451 0 40 FDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)N2CCOCC2)CC1 13010859 OGPMZNDDGMJXPK-CQSZACIVSA-N 363.433 1.724 0 40 FDAB O=C(Cc1nnc(O)c2ccccc12)N[C@H](Cc1ccc(O)cc1)C(=O)O 13551669 CBKXZHLXORLJMQ-MRXNPFEDSA-N 367.361 1.396 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 4270533 VJBFNOXRQVVBHE-UHFFFAOYSA-N 369.420 1.678 0 40 FDAB CCc1ncc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 65041847 NXONDDYZXUJNEU-UHFFFAOYSA-N 354.409 1.595 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 6384209 CUELSSZFQMEBIU-UHFFFAOYSA-N 351.362 1.991 0 40 FDAB CC(C)COC(=O)[C@H](N)Cc1ccc(C[C@@H](N)C(=O)OCC(C)C)cc1 4812077 CGVQIKVEDXZXHR-QZTJIDSGSA-N 364.486 1.825 0 40 FDAB CCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]c1=O 6888205 ZQRYTJGLDYBTEK-UHFFFAOYSA-N 350.400 1.119 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1O 96004335 QJJIZRAWPOJOSI-LOWQCSRCSA-N 354.410 1.989 0 40 FDAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCOC[C@@H]1CCO 95451152 KIFDKANLYGNOFD-SFHVURJKSA-N 366.421 1.703 0 40 FDAB Cn1cc(I)c(=O)n(C/C(Cl)=C/Cl)c1=O 93905279 FPNXBVNEGQPDMR-DJWKRKHSSA-N 360.966 1.471 0 40 FDAB C/C=C/C(=O)OCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1 8428693 WQPQKUISWGPPPU-YXMMZVCTSA-N 374.393 1.986 0 40 FDAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc2c(c1)OCCO2 9530929 JNQDTOHWLOEOFF-UHFFFAOYSA-N 365.278 1.278 0 40 FDAB NC(=O)[C@H]1COCCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 91810832 LTBPMWPZVOAXIM-QGZVFWFLSA-N 350.378 1.352 0 40 FDAB Cc1c(NC(=O)CN2CCC3(CC2)CC(=O)N(CC(C)C)C3)cnn1C 91966557 BUEFDQXTLQMAMS-UHFFFAOYSA-N 361.490 1.638 0 40 FDAB CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 119235761 XFXCDQMALGVRNN-ZDUSSCGKSA-N 373.906 1.419 0 40 FDAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc3n[nH]c(=O)n3c2)C1 89781022 QCKCYZNOYLTXFH-ZDUSSCGKSA-N 368.368 1.897 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 24724414 JEZQNXNQFKYGOM-INIZCTEOSA-N 357.410 1.609 0 40 FDAB Cc1noc(CCCNC(=O)N2CCN(Cc3cscn3)CC2)n1 67465070 RMQOURYLSXNKBJ-UHFFFAOYSA-N 350.448 1.295 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCCc3ccccn3)CC2=O)c(OC)c1 32657203 NKYPRXAVHKXQIR-AWEZNQCLSA-N 369.421 1.811 0 40 FDAB CC(C)Cn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79485651 MSWPMFCHLMDHCA-ZDUSSCGKSA-N 362.451 1.574 0 40 FDAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cc(C)on2)CC1 39519788 OVKPUYCKOVITNW-KRWDZBQOSA-N 371.441 1.298 0 40 FDAB O=C1CN(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36589724 QLUNGTBPJNIRTO-QZTJIDSGSA-N 374.437 1.840 0 40 FDAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)CNC)nc(C)n2)s1 72360932 RXKTXRVUNCEHOO-LBPRGKRZSA-N 361.475 1.825 0 40 FDAB Cc1nc(C2CCN(C(=O)c3cnn[nH]3)CC2)nc(N2CCOCC2)c1C 72337204 FBCPRQRZXJVVAT-UHFFFAOYSA-N 371.445 1.068 0 40 FDAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218640172 SGWAMMSXIIRHQT-WWGRRREGSA-N 358.435 1.558 0 40 FDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1 77263882 MVWZNYPLAHVWTQ-NUJGCVRESA-N 350.459 1.466 0 40 FDAB biogenic,in-vitro CCOC(=O)N(C)CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 48094553 RUMIOKYKYSSOFV-INIZCTEOSA-N 367.421 1.404 0 40 FDAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Cn1ccccc1=O 42601260 MMMJSGRYDJOZCH-SFHVURJKSA-N 368.481 1.565 0 40 FDAB CC(C)(C)NC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225893934 TXKANAQZXVBGAB-UHFFFAOYSA-N 364.519 1.998 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 226628225 NWIQAZVQQALPMD-KOZAUXTDSA-N 353.296 1.901 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 96183022 QKQZHPHZWPKGCA-AWEZNQCLSA-N 355.412 1.941 0 40 FDAB O=C(Cc1ccccc1)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 96228433 KVRVTTWGKIJMCQ-TZIWHRDSSA-N 358.482 1.959 0 40 FDAB O=C(c1cccc(F)c1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255721 HJSLCZIWRNHQPU-UHFFFAOYSA-N 356.401 1.693 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2ccnn21 247949425 LHJBDAZSQDMJAW-HNNXBMFYSA-N 370.409 1.378 0 40 FDAB O=C1CCc2cc(NC(=O)c3ccnc(N4CCOCC4)n3)c(F)cc2N1 626531266 WWZKAUOQTHTHMH-UHFFFAOYSA-N 371.372 1.589 0 40 FDAB CS[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 1116129186 HLYKZWIBWFANRK-UWVGGRQHSA-N 369.468 1.946 0 40 FDAB COc1cccc(C[C@H]2CCCN2C(=O)N[C@H]2CCc3nnnn3CC2)c1 643388046 XUWRUTKPAFIYNM-JKSUJKDBSA-N 370.457 1.803 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnn(Cc2ccccc2)c1 643952974 HMGUIJFSPPXKBI-LJQANCHMSA-N 356.426 1.299 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643903214 GVFLFQWPALKAFT-HNNXBMFYSA-N 357.414 1.082 0 40 FDAB C[C@H](C1CC1)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 24672931 FFYRYQZYHBRXEO-CYBMUJFWSA-N 370.453 1.150 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cccc(O)c2)C3)n1 575406078 VFPSLBORXUSYTC-MRXNPFEDSA-N 355.394 1.943 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CC1=CC(C)(C)NC(C)(C)C1 585288377 YGTCXSZKYJPRRB-INMHGKMJSA-N 354.491 1.741 0 40 FDAB O=C(CN1CCO[C@](CO)(Cc2ccccc2F)C1)NC1CCCC1 585277609 NNZLZGZBDJAGHE-LJQANCHMSA-N 350.434 1.490 0 40 FDAB O=C(NCc1ccco1)C1CCN(c2nnnn2-c2ccccc2)CC1 58181137 PDKQWFMMFLMHQR-UHFFFAOYSA-N 352.398 1.788 0 40 FDAB Cc1cc(C(=O)CCC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(C)s1 58103750 UBTAQLULZZFMSJ-ZDUSSCGKSA-N 372.512 1.868 0 40 FDAB CNC(=O)COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 55857468 BGLYODHSXFXJTB-KRWDZBQOSA-N 368.389 1.209 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC[S@](=O)c1ccccc1 76408146 BDALHLYTSPGGKD-JOCHJYFZSA-N 350.465 1.504 0 40 FDAB CN(C(=O)COC(=O)c1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 5897639 VXTVFAYPKVHWTD-JTQLQIEISA-N 363.794 1.281 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2Cl)n1 13960254 HBVYMVMNUDDMMT-CRWXNKLISA-N 358.785 1.647 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)COC)cc1C 16692196 AKVAKLVEJNLKQN-CYBMUJFWSA-N 358.460 1.165 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19460673 LPIZZOSOIWESIL-NRTGNBEESA-N 372.352 1.801 0 40 FDAB NC(=O)[C@@H]1CCCN1C(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 19656352 BQJFHVXNOVZRKF-KRWDZBQOSA-N 368.437 1.309 0 40 FDAB CN1CCc2nnc([C@H]3CCCN3C(=O)COc3ccccc3F)n2CC1 19710786 SRTHSYKUDQZDRP-OAHLLOKOSA-N 373.432 1.648 0 40 FDAB COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 667365 PGTDTKDFAOTWHL-LBPRGKRZSA-N 362.407 1.779 0 40 FDAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N[C@@H](C)CN1CCCC1=O 614995261 BSKOUUWHYMXMRA-NSHDSACASA-N 357.458 1.563 0 40 FDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 2037835897 GKTQXCJOCTVYSN-CYBMUJFWSA-N 363.447 1.262 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCN4CCCC4)C3=O)C2)o1 1614929253 MVIFNCWKBCABDC-FOIQADDNSA-N 359.470 1.994 0 40 FDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc(-n2cccn2)cc1 1565523615 SCTCBFMKZUKZNW-SFHVURJKSA-N 373.434 1.968 0 40 FDAB COc1nc(Oc2nc(OC)nc(N3CCCC3)n2)nc(N2CCCC2)n1 1079387 YXWXNIPVWFVDHB-UHFFFAOYSA-N 374.405 1.067 0 40 FDAB O=C(NCc1ccco1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374502 BBPPOMOKEIQCAL-LBPRGKRZSA-N 357.366 1.656 0 40 FDAB CC(=O)Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1 7387633 PGNXAPBIZUVGBW-UHFFFAOYSA-N 366.424 1.634 0 40 FDAB CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)ccc(OC)c21 12514498 VGEZCUHRGBIRDI-ZCXUNETKSA-N 361.423 1.616 0 40 FDAB CN(C)CCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714798 RUENDGAJYQRZRP-CQSZACIVSA-N 361.490 1.186 0 40 FDAB CN(C(=O)[C@@H]1CCOC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594105 SKSPUUZZIKMWRB-CYBMUJFWSA-N 356.430 1.075 0 40 FDAB CC(=O)OCC[C@H](SC(=S)NCc1cnc(C)nc1N)C(C)=O 38643883 KGQSETSDUBYCAU-LBPRGKRZSA-N 356.473 1.386 0 40 FDAB in-vitro O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccccc1 100028417 PYYMIMFOGPAULZ-HOTGVXAUSA-N 367.340 1.758 0 40 FDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1F 100033333 PDAPDSZYZMUXMB-CVEARBPZSA-N 367.340 1.758 0 40 FDAB Cc1cc(O[C@H](C)C(=O)NCCN2CCOCC2)c2c(C)cc(=O)oc2c1 20546790 HRHQJDXLUOOHCB-OAHLLOKOSA-N 374.437 1.626 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1Cl 32689114 NBKMNNDJOMENEO-UHFFFAOYSA-N 351.746 1.240 0 40 FDAB C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccc2c(c1)CCCC2 32802739 IPKOKRUBVCQWNF-AWEZNQCLSA-N 358.486 1.875 0 40 FDAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 32895868 JNQRUBJTQOYXDZ-GFCCVEGCSA-N 356.444 1.701 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccc(O)cc2)CC1 32980252 IGZXNCLCJCOWEK-UHFFFAOYSA-N 364.405 1.451 0 40 FDAB CCCn1nc(C(=O)N2CCN(C(=O)OCC)CC2)c2ccccc2c1=O 8936902 NLPLRJRXTCIBJA-UHFFFAOYSA-N 372.425 1.721 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 41671924 BDSUUAGUGFVQKH-CYBMUJFWSA-N 368.455 1.249 0 40 FDAB Cc1cc(-n2c(C)cc(CN3CCN(CC(=O)NC4CC4)CC3)c2C)no1 22815016 ROHMEAAXZSWKOO-UHFFFAOYSA-N 371.485 1.787 0 40 FDAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(CC(=O)NC2CC2)CC1 22932423 XJSGIKQCXNARKJ-GFCCVEGCSA-N 366.412 1.188 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)no1 104673128 HYQRRAWVOOGHAY-VOAKCMCISA-N 374.397 1.537 0 40 FDAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 23701895 AHRJELFYHLYFOW-NVXWUHKLSA-N 350.484 1.641 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974462 OBPJYYOLDUWMAR-CQSZACIVSA-N 370.471 1.249 0 40 FDAB NC(=O)[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 107237920 WKUOXJUEHWYCLQ-CQSZACIVSA-N 352.818 1.101 0 40 FDAB Cc1cnc2c(S(=O)(=O)N3CCN(c4ncccn4)CC3)cccc2c1 26111803 KFXCOORTVKEKSI-UHFFFAOYSA-N 369.450 1.844 0 40 FDAB CCNC(=O)CN(CC)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 57025371 BVNNDQZTRNVSSY-ZHACJKMWSA-N 371.481 1.923 0 40 FDAB Cn1c(=O)/c(=C/c2ncc(C(F)(F)F)cc2Cl)s/c1=C/[N+](=O)[O-] 100265863 LTFWKVFPXKXVTO-CPIJYIFHSA-N 365.720 1.358 0 40 FDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1CCCO1 48169644 XJSMQULEGSCMTR-DTWKUNHWSA-N 361.261 1.924 0 40 FDAB CCc1c(C)nc2cc(C3CCN(C(=O)c4cnn[nH]4)CC3)nn2c1O 100137576 LGYSGZWMWDSODA-UHFFFAOYSA-N 355.402 1.444 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 58414302 BWQZYIJAFNZQLM-VIFPVBQESA-N 362.329 1.983 0 40 FDAB COc1ccccc1N1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 36378419 ALHBKFOKRXBGAL-UHFFFAOYSA-N 372.425 1.436 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 60354447 LFFRJWXJIMWBGE-INIZCTEOSA-N 373.384 1.929 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 36650335 OTCZPIJJQAALKR-QGZVFWFLSA-N 367.405 1.475 0 40 FDAB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 2616656 AQOHHNWSVGCWQQ-INIZCTEOSA-N 356.334 1.059 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1 8938599 RDRAQJDRZSVCDX-UHFFFAOYSA-N 368.455 1.582 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1)OCn1nnc2ccccc2c1=O 3443803 CLMRDRAACKUSKC-UHFFFAOYSA-N 372.768 1.376 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 3422948 PVLMTSSTXVFZHB-UHFFFAOYSA-N 358.416 1.877 0 40 FDAB Cc1occc1C(=O)Nc1nc(CC(=O)NCCn2ccnn2)cs1 96007820 XVSUCCZWFAZYDS-UHFFFAOYSA-N 360.399 1.247 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3nccs3)[C@@H]4C2=O)no1 9306451 BVVFSEWLWPTESF-DFANHVJVSA-N 358.379 1.365 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC1CC1 4836336 DJEVWXNPSGUADP-GFCCVEGCSA-N 366.439 1.295 0 40 FDAB Cc1cc(C)c(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 8011984 QZSSYWKJCHGBNL-ZDUSSCGKSA-N 354.410 1.803 0 40 FDAB Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)on1 21493064 LCPCWPMDPDONPH-INIZCTEOSA-N 354.366 1.779 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999171 RXUZYUMMEFNUFD-INIZCTEOSA-N 374.466 1.267 0 40 FDAB CN(C)c1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)ccn1 95999936 KFBJSYQNZAJNAF-UHFFFAOYSA-N 374.466 1.092 0 40 FDAB Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1NC(=O)c1ccccc1 75094159 FZQPOOMHLWXJMO-OAHLLOKOSA-N 362.451 1.758 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 408603558 KVCVWTSVNGYDPG-UHFFFAOYSA-N 370.471 1.393 0 40 FDAB O=C(O)[C@H](Cc1c[nH]cn1)NCc1cnc(NCc2ccccc2)nc1 218761073 SJQURSZAILLOTF-INIZCTEOSA-N 352.398 1.597 0 40 FDAB CCOC(=O)c1c(NC(=O)N2CCN(CCO)CC2)sc2c1CCC2 20573457 BBINVMJRNLNOCP-UHFFFAOYSA-N 367.471 1.555 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408627074 XVHVGNXMIGRSLY-UHFFFAOYSA-N 372.487 1.639 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(N)=S 218150691 WTFDHZCCNLRELE-GZBFAFLISA-N 357.453 1.235 0 40 FDAB COC(=O)c1cccc(Cn2nc3n(c2=O)C(=O)N(c2ccccc2)C3)c1 1547200959 DNXRCEQCCNFBNO-UHFFFAOYSA-N 364.361 1.868 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cccc2)CC1 70636907 CCTQQDXGDTZYGQ-RBUKOAKNSA-N 367.449 1.927 0 40 FDAB Cn1cc(N2CCN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2)cn1 74391862 ORBYYFJLGQYHMH-UHFFFAOYSA-N 369.425 1.032 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2ccncc2)CC1 70895742 DOBFNRTVVKMGBJ-UHFFFAOYSA-N 358.467 1.792 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1 1567533308 XWAQYCNWKSQYDT-DXPJPUQTSA-N 372.450 1.490 0 40 FDAB CC(=O)N1CCN(Cc2cccnc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355081 YOTPFZIMBQLIBQ-SFHVURJKSA-N 368.485 1.461 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224309607 AGJSGIYPFFFCDQ-HNNXBMFYSA-N 355.442 1.659 0 40 FDAB Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)O)c1 96198716 BNLPBKHPBIITBM-GDBMZVCRSA-N 352.456 1.697 0 40 FDAB COCc1noc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)n1 583622037 FGFUHXYZEWEWBA-RYUDHWBXSA-N 355.439 1.717 0 40 FDAB CN(C)C(=O)N1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96215554 GOFPENOVVAJYAC-KRWDZBQOSA-N 369.462 1.984 0 40 FDAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(C)CC2)CO3)n1 96220828 KSOHMHJRXVWUNI-KRWDZBQOSA-N 358.486 1.401 0 40 FDAB CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 330924604 UWBCIZCZZUGOBH-HOCLYGCPSA-N 360.520 1.854 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccccn1 95476429 YCOORKDPQWQMQT-MRXNPFEDSA-N 352.394 1.455 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 95476868 KYPLCWNXSIORJG-GFCCVEGCSA-N 353.386 1.383 0 40 FDAB Cc1cnc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)cn1 96245307 PJOBEQRHQXAWBG-ZBFHGGJFSA-N 354.385 1.655 0 40 FDAB Cc1nnc(NC[C@@H]2CO[C@]3(COCCN(C(=O)CC4CC4)C3)C2)o1 96240598 DGINWGGAGCPUFZ-RHSMWYFYSA-N 350.419 1.224 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 247333829 PWFQILZHICDZCW-OAHLLOKOSA-N 374.466 1.758 0 40 FDAB Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257329263 XJCQJEHBDBRGFU-ZDUSSCGKSA-N 364.475 1.154 0 40 FDAB Nc1cccc([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257257081 KOATXSNHFQSOAR-NSHDSACASA-N 355.320 1.479 0 40 FDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)CCn2nccc2C)ccn1 257238441 HKZWJHMNCLZXAX-GOSISDBHSA-N 355.442 1.976 0 40 FDAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 257215222 CPEZDSQYEBNFQG-INIZCTEOSA-N 356.492 1.416 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)ccn1 257246330 ITPPYFNQSGKZMU-INIZCTEOSA-N 356.430 1.408 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 257261783 LIVGVRONGLZGGN-BFYDXBDKSA-N 358.486 1.986 0 40 FDAB Cn1cc(C2CCN(C(=O)C(=O)Nc3c4c(nn3C)CCCC4)CC2)cn1 635058735 LKGOOLSMXDLZHQ-UHFFFAOYSA-N 370.457 1.377 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 644119674 ZREOXNNQMXPDOB-ZBFHGGJFSA-N 352.398 1.901 0 40 FDAB Cc1ccccc1-c1cc(=NC(=O)[C@H]2Cn3c(C)nnc3CN2C)[nH][nH]1 644325598 ZRGWCNSXESNBAW-OAHLLOKOSA-N 351.414 1.160 0 40 FDAB C[C@@H](C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1)c1ccc(Cl)cc1 1178320935 PHPDSZQZYPGKCS-SECBINFHSA-N 371.832 1.831 0 40 FDAB CC(C)c1ocnc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 92797537 HKLNZJHHHSQPFP-UHFFFAOYSA-N 372.473 1.747 0 40 FDAB CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OC(F)F)C2)cc1 606442646 UMWQFJSVOGBMNS-LBPRGKRZSA-N 362.398 1.367 0 40 FDAB CCc1nsc(N2CCN(C(=O)NC[C@@H](C)Cn3cccn3)CC2)n1 608409579 JOZVGELYQQLOLU-CYBMUJFWSA-N 363.491 1.465 0 40 FDAB O=C(NCCn1ccnc1-c1ncccn1)c1ccc2nsnc2c1 96099066 DHIQTUWWEVZJEB-UHFFFAOYSA-N 351.395 1.775 0 40 FDAB Cn1ccnc1COc1ccc(CN2CCC[C@@]2(C)C(=O)NCCO)cc1 585270754 QBNPJTNSGWZHKW-FQEVSTJZSA-N 372.469 1.462 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21 585111871 DONRCSFZSRWGDJ-KRWDZBQOSA-N 364.453 1.994 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1 11615999 YFPWWQVRJALNDX-UHFFFAOYSA-N 363.425 1.666 0 40 FDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCc3ccccn3)c(=O)c21 12117737 VZBASXLUEFRVFX-UHFFFAOYSA-N 365.393 1.984 0 40 FDAB CC(C)[C@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cnc(N(C)C)nc1 12145744 SLHZDPQGKNTYQY-INIZCTEOSA-N 370.457 1.431 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccncc3)CC1)CNC2=O 12225905 ZXFJUJIEBTWCBC-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)Cc3nonc3C)cc2n1 12276514 INCNLZCMBXLYGR-CQSZACIVSA-N 356.386 1.595 0 40 FDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 12520917 ANBQCWPRJVXAGM-UHFFFAOYSA-N 359.429 1.390 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(-c3ccccn3)no2)C1 19373679 ACFFWNZFGVBOQC-OAHLLOKOSA-N 372.406 1.894 0 40 FDAB COc1cccc([C@H]2CCCN2C(=O)Cn2cnc3c(cnn3C)c2=O)c1 19716123 BUJHVRYMFQEBJI-MRXNPFEDSA-N 367.409 1.502 0 40 FDAB Cn1nnc(CN2CC[C@H](C(=O)O)c3cc(Br)ccc32)n1 635017909 BVPSWSGBFJUUER-VIFPVBQESA-N 352.192 1.551 0 40 FDAB CN(C)CCOC(=O)N[C@@H](OCCN(C)C)C(Cl)(Cl)Cl 3167902 UZRGIRPLKHSQNO-VIFPVBQESA-N 350.674 1.549 0 40 FDAB COc1ccccc1CCC(=O)OCC(=O)NC(=O)NCc1ccco1 6081403 IZMKNPNHFCHNEQ-UHFFFAOYSA-N 360.366 1.790 0 40 FDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)nn1 1888859911 QCHVDWBZFJAYID-KBPBESRZSA-N 352.442 1.773 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCCCc1ccccc1 21184905 GLSGMVBXFBMJEU-UHFFFAOYSA-N 365.455 1.709 0 40 FDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 22382668 AZSDACFQKNOMQH-LBPRGKRZSA-N 363.439 1.855 0 40 FDAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc2[nH]cnc2c1 238829635 FPHJUBNWHKMWGX-UHFFFAOYSA-N 368.368 1.853 0 40 FDAB CC(C)N1C[C@@]2(CCN(Cc3ccc4c(c3)OCCO4)C2)COCC1=O 2037983962 LVXULFIXMQGKAT-FQEVSTJZSA-N 360.454 1.917 0 40 FDAB O=C(c1ccc(O)nn1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1146984777 PPDDUZKSYHJQPI-CQSZACIVSA-N 352.394 1.318 0 40 FDAB O=C(c1csnn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565546278 YBQRPMKEDJFVOF-LBPRGKRZSA-N 360.443 1.594 0 40 FDAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5250917 XKHKZXWMTIFWHF-UHFFFAOYSA-N 355.394 1.951 0 40 FDAB Cn1ccc2ccn(CCNC(=O)Cc3noc4ccccc34)c(=O)c21 575414691 JDKRWIGBRLFTKZ-UHFFFAOYSA-N 350.378 1.840 0 40 FDAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(Nc2ncccn2)C1 245039133 OGWVGEMMJIQIRN-UHFFFAOYSA-N 358.345 1.980 0 40 FDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cccnc1-n1cccn1 40074198 PCOYTFQUKGBQEW-UHFFFAOYSA-N 350.338 1.668 0 40 FDAB CCc1sc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C 21185956 JXYHMPDANBZSSV-NSHDSACASA-N 359.469 1.421 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102437916 DTRMXFMBYKTNBQ-CHWSQXEVSA-N 356.378 1.753 0 40 FDAB O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccncc2)C1)c1ccccc1 12324619 SGNKMEPAJOGXNM-MRXNPFEDSA-N 366.421 1.689 0 40 FDAB CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4cc(F)ccc4O3)cn2)CC1 76956436 HRNFYKVCYFYAPI-SFHVURJKSA-N 370.428 1.592 0 40 FDAB C[C@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O 47359567 UKOBOBDEYXQLFL-QGZVFWFLSA-N 363.320 1.641 0 40 FDAB CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813876 JZSKEBUQNQNUIB-UHFFFAOYSA-N 360.863 1.889 0 40 FDAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c2ccccc21 54662605 JMABUPRDBNTEKG-CQSZACIVSA-N 369.425 1.921 0 40 FDAB CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C(=O)OC 58160964 GIGODGHRQMIZRV-APPDUMDISA-N 368.455 1.469 0 40 FDAB Cc1sc2ncn(CCC(=O)NCCCn3ccnc3)c(=O)c2c1C 55291652 ZRTZFMMUQDIRCC-UHFFFAOYSA-N 359.455 1.868 0 40 FDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12521054 CAEWKTOOVILLLZ-UHFFFAOYSA-N 358.416 1.925 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1 9939397 UDJNBYJQOKNFLY-NWDGAFQWSA-N 374.821 1.971 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1-n1cnnn1 25683632 KTHNFSHMEHTBLG-UHFFFAOYSA-N 351.366 1.706 0 40 FDAB C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1)S(C)(=O)=O 56321349 NGGXSGRPARTTRH-LBPRGKRZSA-N 353.444 1.232 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cscn3)C2)O1 107766735 MEVOUWPEWYMQOU-PBHICJAKSA-N 353.488 1.874 0 40 FDAB Cc1cccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 26021379 JMEYUKHHBLVWLV-UHFFFAOYSA-N 358.419 1.846 0 40 FDAB CN(C)c1cccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 58198421 PUCXELZBXTXDDF-UHFFFAOYSA-N 366.421 1.462 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 58183190 HBGXQVJEXAZZTQ-MRXNPFEDSA-N 363.527 1.979 0 40 FDAB COc1ccc(C)cc1CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 48277485 CQGWUXNQZKVFLV-VQHVLOKHSA-N 357.410 1.073 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F 23973180 YTDMIJSAHGZZEI-UHFFFAOYSA-N 359.348 1.482 0 40 FDAB CCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 11396024 WUXTZQNBHDZPGE-UHFFFAOYSA-N 356.444 1.340 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2CCc3ccccc32)C1=O 3369341 ZFZXSKFQXYLJKO-UHFFFAOYSA-N 373.409 1.230 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)NCc2cccs2)cc1 29321534 GLNGVSXBQBIHFW-UHFFFAOYSA-N 369.468 1.534 0 40 FDAB CCCC(=O)NC1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 48366500 WNFVBEDEVXOVJO-QGZVFWFLSA-N 370.457 1.364 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)NCC(F)(F)F 2643075 MMTIIUFHQGVOQJ-HNNXBMFYSA-N 355.316 1.144 0 40 FDAB CCCCN1C(=O)C(=O)N(CC(=O)NCCOc2cccc(C)c2)C1=O 48660009 BFAOWOINDQDXBY-UHFFFAOYSA-N 361.398 1.081 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(=O)CNC(C)=O)c2ccccc2)cc1 3615077 SZGGUJIUQREAAI-SFHVURJKSA-N 355.394 1.627 0 40 FDAB biogenic CN(C)C(=O)COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 48792428 IJTZQLBQEFSTFF-OAHLLOKOSA-N 373.453 1.741 0 40 FDAB CC[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1cc(C)on1 8705206 PGPOGMLBIMDJOS-LURJTMIESA-N 350.326 1.817 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 13000259 QYTVFCCYTKKHHN-RDTXWAMCSA-N 361.467 1.846 0 40 FDAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 408598281 YSHTYGWEJODSFH-AWEZNQCLSA-N 355.460 1.921 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 5205916 AEUWIDNNJGIYRF-UHFFFAOYSA-N 351.366 1.779 0 40 FDAB COCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 14139274 XJYRVBSWGOEDLE-UHFFFAOYSA-N 374.180 1.369 0 40 FDAB COC(=O)c1c(NC(=O)N2CCNCC2)sc2c1CC(C)(C)OC2 6755070 VAGSDQDFQGFQGY-UHFFFAOYSA-N 353.444 1.823 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)c1nnc(-c2cccc(Br)c2)o1 20745708 VJNDDDZWBFFYDR-SNVBAGLBSA-N 365.187 1.589 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C(C)C)cc1 4999051 AYOIPNUKAVMPSD-OAHLLOKOSA-N 355.460 1.665 0 40 FDAB O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCN(c2ncccn2)CC1 67283446 QYHJQQRAXMCHLN-UHFFFAOYSA-N 367.388 1.218 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)C1CC1 7289680 IRQCYUOSBNHTMC-MGNBDDOMSA-N 359.382 1.097 0 40 FDAB COc1ccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)cc1OC 16084897 PHKUIVRSSMCJJD-UHFFFAOYSA-N 362.367 1.447 0 40 FDAB CC(C)c1ccc(Cc2n[nH]c(NCCN3CCOCC3)nc2=O)cc1 22996389 WYXOFUYYJGQHAB-UHFFFAOYSA-N 357.458 1.623 0 40 FDAB COc1cccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1 8379144 XIXXCUMKENRIGI-UHFFFAOYSA-N 350.396 1.281 0 40 FDAB COCc1nc(N2CCN(c3ncccn3)CC2)[nH]c(=O)c1CCC(C)C 22448906 BRBUHJYXURKBKH-UHFFFAOYSA-N 372.473 1.622 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)n1 9455632 FGZGOQIVEGLAOS-UHFFFAOYSA-N 354.457 1.366 0 40 FDAB COC(=O)c1sc(NC(=O)CCn2c(C)cc(O)cc2=O)nc1C 95474307 TUHIKUMZBLAKIU-UHFFFAOYSA-N 351.384 1.443 0 40 FDAB O=C1CCc2cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc2N1 9870997 MUFBASJKKHASGA-CYBMUJFWSA-N 373.438 1.712 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCN(C(=O)N(CC)CC)C1 42464536 SRGDDSLXJWAQCG-HNNXBMFYSA-N 354.495 1.533 0 40 FDAB Cc1ccc([C@@H](CNC(=O)N2CCOC[C@@H]2C2CC2)N2CCOCC2)o1 89888713 MCZKNTSOTDQXRG-IAGOWNOFSA-N 363.458 1.782 0 40 FDAB Cc1ncsc1CN1CCOC[C@]2(CC[C@H](CN3CCOCC3)O2)C1 306138404 RWWZSWKCZUVEKH-AEFFLSMTSA-N 367.515 1.534 0 40 FDAB COc1ccc2c(CC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)coc2c1 67815544 XUWYRULHZFPTBL-CYBMUJFWSA-N 366.439 1.524 0 40 FDAB O=C(c1ccc2c(c1)N=C(O)CO2)N1CCN(C(=O)c2ccco2)CC1 60664884 GYRRESKLELUISR-UHFFFAOYSA-N 355.350 1.858 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306129085 HUBAUXDMPJYEID-LBPRGKRZSA-N 372.400 1.743 0 40 FDAB O=C(O)c1ccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NO[C@H]3C2=O)cc1 3849143 GJHVRLAYNRBRSD-SMDDNHRTSA-N 370.342 1.573 0 40 FDAB biogenic O=C(CN1CCCCCC1)N1CCc2nnc([C@H]3CCCNC3)n2CC1 72370883 QREZMHQCRVMBCH-INIZCTEOSA-N 360.506 1.006 0 40 FDAB Cc1nn(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)c1Br 72249918 ORLWTGXCTILVFN-NSHDSACASA-N 371.279 1.780 0 40 FDAB Cc1cnc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)s1 72334598 AZQQBGJAXPUMSW-MPYYAJLASA-N 361.471 1.638 0 40 FDAB CS(=O)(=O)NC1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 40024816 UINVEMRZYAXUBA-UHFFFAOYSA-N 365.499 1.436 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4cc(C5CC5)n[nH]4)nnc23)n1 225748874 BRRHEJQHGDXNHQ-UHFFFAOYSA-N 364.369 1.618 0 40 FDAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)NC1CCCC1 49409067 KGCGBULIWOFZEM-UHFFFAOYSA-N 367.471 1.082 0 40 FDAB COc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 48356140 BHRHLFAKNHNIAC-HNNXBMFYSA-N 369.425 1.000 0 40 FDAB Cc1cc(C(=O)N2CCN(C(=O)c3nc4ccccc4s3)CC2)nn1C 226752967 QIRFJLAHOITUPE-UHFFFAOYSA-N 369.450 1.936 0 40 FDAB NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NCc2ccccc2)CC1 40033645 IVXKLWZUMFEBSN-HXUWFJFHSA-N 366.465 1.147 0 40 FDAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCC(F)(F)CC1)C2 514288762 DRNSDVSICZEAIZ-JKSUJKDBSA-N 371.472 1.552 0 40 FDAB biogenic,in-vitro CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)O 95471304 QMGGUISDEXIZJN-MRXNPFEDSA-N 372.425 1.745 0 40 FDAB CC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C[C@]2(CNC(=O)C2)C1 96143298 CXDGUCMRPFULFZ-QGZVFWFLSA-N 364.833 1.542 0 40 FDAB O=C(COCc1nc(-c2ccncc2)no1)N[C@H](CO)Cc1ccccc1 96182024 JEKPHRDKWGMAEG-INIZCTEOSA-N 368.393 1.368 0 40 FDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O 514288909 JQKDRCSZJKSRMD-SLFFLAALSA-N 372.440 1.858 0 40 FDAB biogenic,in-vitro O=C(O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(c1ncccn1)C2 96185231 QRNBWLOWLKIIJJ-LPHOPBHVSA-N 353.426 1.675 0 40 FDAB CCCCN1CC(=O)N(c2ccc(OC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 97742284 CGYHHVRTELYKJJ-JKSUJKDBSA-N 352.456 1.310 0 40 FDAB Cc1cnn([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 584498832 HRUVSEIHQFOUJY-GFCCVEGCSA-N 362.411 1.158 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96229758 PHCOCVSUXUIJAY-KRWDZBQOSA-N 352.456 1.861 0 40 FDAB COC[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1S(C)(=O)=O 96208627 YQJZVZMSPJYRLX-OAHLLOKOSA-N 356.488 1.851 0 40 FDAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C)[nH]n1 96237676 NQIYDCTXLBMWFL-QGZVFWFLSA-N 359.455 1.343 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCO)cc2)cc1 95116916 PKIFHVUWBNRWEC-UHFFFAOYSA-N 362.451 1.932 0 40 FDAB CCN1Cc2c(C(=O)NCC3CC3)ncn2-c2ccccc2S1(=O)=O 96266128 KRFBSEJRPDECHX-UHFFFAOYSA-N 360.439 1.536 0 40 FDAB O=C(CO[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1)N1CCCC1 247747124 SEPJPFXTFZADHI-LJQANCHMSA-N 361.486 1.738 0 40 FDAB COc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)oc2ccccc12 252500495 SWUGCGRUXAFQJG-OAHLLOKOSA-N 358.394 1.905 0 40 FDAB Cc1cc(C)n2ncc(CN3CCO[C@H](c4cc(O)nc(C)n4)C3)c2n1 257201689 AIOXDMBEYUEJPW-INIZCTEOSA-N 354.414 1.724 0 40 FDAB Cn1ccnc1CN1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257267264 MGOVSEKPOIJSPJ-INIZCTEOSA-N 369.469 1.667 0 40 FDAB C[C@]12C[C@H]3CN(Cc4ccccc4OCC(=O)O)C[C@H](CC[C@@H]1N3)[C@H]2O 257340409 ZFYBEWQBNSHSIV-UYHBIPHVSA-N 360.454 1.473 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(C(=O)c4ccncc4)C3)ccnc12 257265764 MADYRMBMALVECO-CQSZACIVSA-N 364.409 1.456 0 40 FDAB C[C@](O)(CCc1ccccc1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 368484357 SGRCVENFHMIBST-XLIONFOSSA-N 360.454 1.266 0 40 FDAB COCCn1nnc2c1C[C@@H](c1nc(-c3ccc(O)c(OC)c3)no1)CC2 1775960583 TWOBMCVYOFCBRX-LBPRGKRZSA-N 371.397 1.961 0 40 FDAB COCC1(CNC(=O)[C@@H](CC2CCC2)NC(C)=O)CCN(C(C)=O)CC1 1775989584 QBIOXNPLQJFPGC-QGZVFWFLSA-N 367.490 1.073 0 40 FDAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)N1CCCOCC1 650185769 UFTNRPXJXLPRMG-UHFFFAOYSA-N 358.416 1.091 0 40 FDAB Cc1ccc(N2CCC(C(=O)NC3(CC(=O)O)CCOCC3)CC2)nc1 663122397 GXWNWXKJNHEBQJ-UHFFFAOYSA-N 361.442 1.747 0 40 FDAB CS(=O)(=O)N1CCC(N2CC[C@H](Cc3ccccc3)[C@H](O)C2)CC1 585281475 YBXGTDFYVBKOSL-SJLPKXTDSA-N 352.500 1.336 0 40 FDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2ccnn21 585112032 KGIROLBZTDDUFK-LBPRGKRZSA-N 368.846 1.418 0 40 FDAB O=C(NCC(=O)N1CCOCC1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 678948243 RCERYPKKYFGVJT-JSGCOSHPSA-N 371.359 1.719 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)Nc4ccccc4Cl)CC3)ncnc21 13534739 YYFILAZSFDUULE-UHFFFAOYSA-N 372.820 1.766 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@H]3CCCO3)CC2)cc1 13565359 PSSUHXRLIGRCSH-QGZVFWFLSA-N 366.483 1.691 0 40 FDAB CCOc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 17125147 NISHJJPMWTWDOO-UHFFFAOYSA-N 362.451 1.634 0 40 FDAB CCn1nc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)c2ccccc2c1=O 19716922 PORNGLBAJVKFOO-UHFFFAOYSA-N 361.361 1.905 0 40 FDAB c1nc(C2CCOCC2)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888891026 FXOHRQWUKIYVGU-UHFFFAOYSA-N 366.429 1.364 0 40 FDAB O=C(COC(=O)c1ccc(=O)[nH]c1)Nc1c(F)c(F)c(F)c(F)c1F 13778533 FVPJRIOWXPTYKR-UHFFFAOYSA-N 362.210 1.866 0 40 FDAB Cc1cc(C)c2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)sc2c1 1889139164 RWMLWSAGEWTDEZ-CQSZACIVSA-N 361.467 1.977 0 40 FDAB C[C@H](N)C(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@H](O)C(C)(C)O1)C2 1848354663 VQJAQVHTJSQJRY-OIPACUDHSA-N 354.491 1.440 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 23642202 XMFQUHKMCRCQPY-LLVKDONJSA-N 373.379 1.457 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@]1(O)CSCc2ccccc21 2087142517 KMLCWHLQCZBOLT-HNNXBMFYSA-N 354.453 1.704 0 40 FDAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCOCC1 4327978 PHEDKZOOCYTUHB-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)N3CCCC[C@@H]3CCO)CC2=O)cc1 5190557 TXGAFZOAJCPKHM-HUUCEWRRSA-N 361.442 1.747 0 40 FDAB CCOC(=O)c1c(SCC(=O)N2CCC(C)CC2)nc(=O)[nH]c1C 5251670 YINNTSRBDNLEAH-UHFFFAOYSA-N 353.444 1.606 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)n(CC(=O)NCCc2ccc(F)cc2)n1 11931139 AAHSLNHQTQRJHA-UHFFFAOYSA-N 374.416 1.162 0 40 FDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 12200098 GNXPWHBBZZZIMB-UHFFFAOYSA-N 373.390 1.240 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc2n1 23105399 JZCNTXJLCWMSHT-UHFFFAOYSA-N 356.426 1.320 0 40 FDAB COc1ccc(CNC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)cc1 49411004 KYWAALFDRCERKL-UHFFFAOYSA-N 356.426 1.477 0 40 FDAB O=C([C@@H]1CCCN(c2ccncc2Br)C1)N1CCOCC1 376883068 XYCNECGHENBGON-GFCCVEGCSA-N 354.248 1.919 0 40 FDAB O=C(CCNC(=O)c1ccco1)NCc1ccc(N2CCCC2=O)cc1 10454119 GBYZJBWVVOYCNM-UHFFFAOYSA-N 355.394 1.843 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 40107950 YXXVRACFWPMCBB-HNNXBMFYSA-N 366.483 1.691 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)NCc1cccnc1-n1cncn1 40108959 WCSVHCBEGXLCFE-UHFFFAOYSA-N 351.366 1.292 0 40 FDAB COc1cc(CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)ccn1 30936085 XVBCKJMICMAGLK-UHFFFAOYSA-N 354.366 1.160 0 40 FDAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32091622 SKBUJINFYJEQTB-HNNXBMFYSA-N 368.416 1.839 0 40 FDAB COCCn1c(C(=O)NCc2ccc(OC)cc2)nc2ccccc2c1=O 32096462 OSTPSQROOZVHNX-UHFFFAOYSA-N 367.405 1.982 0 40 FDAB CNC(=S)N(CCCN1CCOCC1)Cc1ccc(OC)c(OC)c1 20650100 XLJFPDMKSLAJSA-UHFFFAOYSA-N 367.515 1.732 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(N)=O)C1 41132592 CECSEIBMABSNSX-ZFWWWQNUSA-N 359.426 1.024 0 40 FDAB CCCn1nc(C(=O)N(C)Cc2ccccc2N2CCOCC2)ccc1=O 21709306 IAXAKGLMERJPOS-UHFFFAOYSA-N 370.453 1.762 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)COC)c1 33028553 GOJHONNISJGGGZ-UHFFFAOYSA-N 369.487 1.902 0 40 FDAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 46541508 WNCHSDHAJBNMGO-CYBMUJFWSA-N 350.444 1.700 0 40 FDAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 47022830 XHMKKSLASVTMRZ-CYBMUJFWSA-N 370.496 1.556 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 812558 YRWRAEBLAZLGRD-KRWDZBQOSA-N 360.391 1.471 0 40 FDAB COC(=O)c1sccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N 53287965 DTUROANGEPIYTD-UHFFFAOYSA-N 373.419 1.986 0 40 FDAB Nc1nc(N[C@@H](CN2CCOCC2)c2ccccc2)cc(-n2cccn2)n1 79106251 KZHDBVVAGFZJEJ-INIZCTEOSA-N 365.441 1.730 0 40 FDAB O=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 4745622 GEPCYXCKUPHSGN-ZDUSSCGKSA-N 353.334 1.929 0 40 FDAB O=C(NC1CC1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 12407287 LKYYFKOCYNAUNE-OAHLLOKOSA-N 355.438 1.557 0 40 FDAB O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccccc1F 7427995 UUAXUXLSJFVSSJ-UHFFFAOYSA-N 366.370 1.286 0 40 FDAB C[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1nnc2ccccn12 23700345 LRBXUVSTLIVSKG-CYBMUJFWSA-N 364.409 1.650 0 40 FDAB O=C(CCn1cncn1)NCCNc1ncc(C(F)(F)F)cc1Cl 25339586 AWXKGSMOKSQHJI-UHFFFAOYSA-N 362.743 1.964 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(CC(=O)NC(=O)NC)c2ccccc21 106171050 DCZSFMUPCDHQBA-GUTXKFCHSA-N 360.458 1.739 0 40 FDAB COc1coc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2ccnn2C)C3)c1OC 100210017 SMKONBROFIDPHJ-VXGBXAGGSA-N 361.398 1.685 0 40 FDAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1Cc2ccccc2O1 56892503 WYOBHEJAQDFZDM-WCQYABFASA-N 366.464 1.535 0 40 FDAB Cc1ccc(-c2noc(CCC(=O)NCc3nnc4n3CCC4)n2)cc1 48276273 KUVDBWFSKBEFIE-UHFFFAOYSA-N 352.398 1.832 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12773119 XYNSELMMIJWYCH-UHFFFAOYSA-N 367.452 1.441 0 40 FDAB C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 69950966 IDODLGNLJBBTCH-HOCLYGCPSA-N 363.483 1.039 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCCOc1ccc2c(c1)CCC2 58264468 NABHPILPCNGOGF-INIZCTEOSA-N 369.508 1.591 0 40 FDAB CC(C)(CNS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccncc1 92264358 VKMGCPBETUTSSC-UHFFFAOYSA-N 364.471 1.886 0 40 FDAB CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 36618108 SAULRVGVBZDBSZ-UHFFFAOYSA-N 368.455 1.337 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29517530 MMAMQBIAWQXOKV-HZPDHXFCSA-N 359.426 1.680 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc(F)c(F)c1 12919487 JCFXGGUGMUHTQV-LLVKDONJSA-N 365.380 1.811 0 40 FDAB C[C@]12C(=O)N(CCCCCO)CC(=O)N1CCc1c2[nH]c2ccccc12 4029719 PBCQHCQESXZDKH-FQEVSTJZSA-N 355.438 1.773 0 40 FDAB biogenic COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)c1C 8985556 HIIXGHHQRMIAFO-JTQLQIEISA-N 353.375 1.198 0 40 FDAB COc1ccc(NC(=O)C2(N(C)C(=O)CNC(C)=O)CCCCC2)cc1 6186158 ANKDHZWFMZAGIK-UHFFFAOYSA-N 361.442 1.931 0 40 FDAB COc1ccc2nnc(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2n1 71285497 YBCBXDFVIJWLHK-UHFFFAOYSA-N 354.370 1.193 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)CC1 6552983 LQOVTEHZWASSFK-LJQANCHMSA-N 357.410 1.475 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 14519444 WTVPYWIVZZZDGD-HNNXBMFYSA-N 365.397 1.615 0 40 FDAB NC(=O)Cn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 4739813 DERADKRSINZHAK-MFOYZWKCSA-N 374.425 1.897 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(CCC)cc2)C1=O 7127094 YELGMWUSAQWHOL-LJQANCHMSA-N 374.441 1.642 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](NCc1cccc3c1OCO3)CCC2 96002732 FUKVPAUFVJNINM-OAHLLOKOSA-N 356.426 1.867 0 40 FDAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 9338455 QTLWDQFSFMWQRL-UHFFFAOYSA-N 354.365 1.770 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)c2ccccc2O1 69785943 HZFDDGZHWBOFQD-BZNIZROVSA-N 356.426 1.681 0 40 FDAB COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nncn2CC(C)C)cn1 84575423 WSKUDSULDPPDJD-CQSZACIVSA-N 372.429 1.640 0 40 FDAB CCOC(=O)c1sc2nc(C)nc(N3CCOC[C@H]3C(N)=O)c2c1C 95467546 BYANUUMZZAENJU-JTQLQIEISA-N 364.427 1.175 0 40 FDAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@H](S(N)(=O)=O)C1 95405683 UXRLKPUTSKFEIA-HNNXBMFYSA-N 353.488 1.503 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cccc(C(=O)O)c2)C1 95991942 QZYOCUKMDKJDNZ-OAHLLOKOSA-N 368.455 1.105 0 40 FDAB COCCCNC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 27973526 FMVADMNDKLETQX-UHFFFAOYSA-N 370.251 1.731 0 40 FDAB Cc1nc(C)n(CCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 75104912 GAMPIJUGCQULBY-UHFFFAOYSA-N 370.501 1.768 0 40 FDAB CCn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2nccn2C)cn1 306137447 QWJPQARXCGSOPF-MRXNPFEDSA-N 372.473 1.048 0 40 FDAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)c1 26503475 PPRFHLVUVGLHSR-DYEKYZERSA-N 362.304 1.514 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc32)c1 29520895 AVVVLLPYSPDZPY-UHFFFAOYSA-N 373.478 1.777 0 40 FDAB COc1ccc(N2C[C@@](O)(c3ccc(OC)cc3F)[N+]3=C2COCC3)cc1 26441594 YXTGSHXTXOMABM-HXUWFJFHSA-N 373.404 1.949 0 40 FDAB CCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CCOC)C2=O)C1 306129208 HXMFDLDLZWBPHM-DNVCBOLYSA-N 362.474 1.665 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)cn1 306143230 XWUUQVBHPBXVSY-KRWDZBQOSA-N 356.474 1.963 0 40 FDAB COCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408607033 PTNAMFUZKSLBMT-ZDUSSCGKSA-N 358.460 1.293 0 40 FDAB COc1ccccc1CCNC(=O)CCn1nnc2ccccc2c1=O 32092289 ZJJADHWLQKCOTG-UHFFFAOYSA-N 352.394 1.549 0 40 FDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2cccnc2C)on1 72336774 GIAHTDIOCALXET-UHFFFAOYSA-N 350.382 1.747 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2-n2cnnn2)c(C)c1 36727635 MADBCJPPZAATOO-UHFFFAOYSA-N 364.409 1.956 0 40 FDAB O=C(O)C[C@@H]1CNCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 71403958 QIGZIWKBYRJNOW-OAHLLOKOSA-N 365.437 1.892 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccs1 36358506 YJNTURZACYCCNH-UHFFFAOYSA-N 369.406 1.411 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c2cccnc21 72389485 LASBRPOQPICAJL-UHFFFAOYSA-N 356.382 1.874 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655975 RJONKBYPWSAITP-INIZCTEOSA-N 363.425 1.590 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl 42646028 IXUUFQCTSWLQBN-UHFFFAOYSA-N 360.241 1.770 0 40 FDAB O=C(N[C@]1(CO)COc2ccccc2C1)C1CCN(c2cnccn2)CC1 529823855 VXBICQVKMHLAKD-HXUWFJFHSA-N 368.437 1.175 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)N1S(C)(=O)=O 96207238 MMHCLGULLCSUFG-OAHLLOKOSA-N 356.488 1.528 0 40 FDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)c2cccnc2)C1 96244408 KONAEPHGNBMQMV-LJQANCHMSA-N 353.426 1.560 0 40 FDAB CCC1(CNS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)COC1 582712778 HPYBSGSTIZPNLC-UHFFFAOYSA-N 353.440 1.969 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC)c1ccccc1O2 96053297 FTPHPRHVJKRIQR-AWEZNQCLSA-N 366.483 1.873 0 40 FDAB Cn1ccc(C(=O)N2CCOC[C@@H]2c2nccc(NC3CCCC3)n2)n1 96218484 NSDUZSHDLLTOGJ-OAHLLOKOSA-N 356.430 1.778 0 40 FDAB COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 245264242 CFVKYCWATICINK-APHBMKBZSA-N 371.389 1.856 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3C)nc(O)c2C1 247960538 VIPNPUPGAQMCFP-RBOXIYTFSA-N 358.442 1.796 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257247512 IZIAJXWLNYFPEI-NSHDSACASA-N 357.336 1.544 0 40 FDAB CNC(=O)Cn1cc(NC(=O)CN2Cc3ccccc3OC(C)(C)C2)cn1 585083890 SFKVLHYSZPYQJT-UHFFFAOYSA-N 371.441 1.241 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1cccc(OC)c1 257291865 QIYGTPGROFGCMI-AEFFLSMTSA-N 364.442 1.120 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257336096 YNDOONYMPCKMAW-HNNXBMFYSA-N 357.414 1.152 0 40 FDAB CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1cnn(C)c1 257285474 PHFGWTBGWXDRNY-GUDVDZBRSA-N 352.438 1.897 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2n(n1)CCCO2 90626834 CBHRRFSKCDQJJD-INIZCTEOSA-N 368.393 1.661 0 40 FDAB CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)Cc4ccccc43)C2)CC1 597380220 LXERDYADRBXVEE-GOSISDBHSA-N 370.497 1.203 0 40 FDAB COc1ccc2ncc(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)n2n1 614216778 ZFIDWKMBQWSWHO-NSHDSACASA-N 356.386 1.618 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643859929 UZJWQLQYDOHGFX-CVEARBPZSA-N 358.442 1.839 0 40 FDAB CC[C@H]1OC2(CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)NC1=O 1615589937 MPYPYZQJAHIOOY-OAHLLOKOSA-N 352.456 1.702 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)NCc2cnc(C(F)(F)F)nc2)N1C1CC1 663228620 FGCZVHMMXYOHOE-GHMZBOCLSA-N 358.320 1.192 0 40 FDAB C[C@H](C(=O)N1CCCN(c2nccs2)CC1)n1cnc2c(N)ncnc21 667221440 QWUIFNHKUZDKSG-LLVKDONJSA-N 372.458 1.165 0 40 FDAB CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 487315556 QXMXLNWRFMGJGI-NSHDSACASA-N 360.457 1.373 0 40 FDAB COC[C@@]1(CC(N)=O)CN(Cc2ccc3cc(OC)ccc3c2)CCO1 585277579 IXJSVCYQMAJTFV-HXUWFJFHSA-N 358.438 1.941 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)[nH]n1 585273590 WXHXUQYRYQSHFI-HXUWFJFHSA-N 373.453 1.990 0 40 FDAB NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 36321667 GKOVRFHDJRFCER-UHFFFAOYSA-N 360.439 1.313 0 40 FDAB COc1ccc(-c2ncnc(N3CCN([C@H]4CCNC4=O)CC3)c2F)cc1 1776001889 QBDMGYNKBSCDRH-HNNXBMFYSA-N 371.416 1.302 0 40 FDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 12639808 POJJHJKBZMCAJB-UHFFFAOYSA-N 360.414 1.182 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 13655020 GJKAWTYDHBDRIO-UHFFFAOYSA-N 351.366 1.779 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 14607370 CTUILIZNSRXCMB-JTQLQIEISA-N 362.411 1.056 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 19287871 CCIOCKWKWVIDFD-UHFFFAOYSA-N 368.437 1.201 0 40 FDAB Cc1scc(C(=O)NCc2cc(O)nc(N3CCN(C)CC3)n2)c1C 19561965 JVCAQAUNCGVKCM-UHFFFAOYSA-N 361.471 1.542 0 40 FDAB COC(=O)c1cc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc(C(=O)OC)c1 19937514 NZXFGHJUHMCHCL-UHFFFAOYSA-N 373.365 1.141 0 40 FDAB COc1ccc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)cc1F 225811303 LCEUFNLMSOAGRG-UHFFFAOYSA-N 370.446 1.169 0 40 FDAB O=C([C@H]1CCOC1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 253395039 WLLPBUMYMFZUHC-AWEZNQCLSA-N 357.410 1.483 0 40 FDAB Cc1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1 1888869748 FKBIYPQRTNPONP-UHFFFAOYSA-N 371.466 1.835 0 40 FDAB O=c1c(=O)n(C2CCCC2)ccn1Cc1cn(Cc2ccccc2F)nn1 1888888268 KAGGAHMMINVMFB-UHFFFAOYSA-N 369.400 1.952 0 40 FDAB CCc1ncnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)c1F 1888899364 KPQDYBCAJBOOGZ-UHFFFAOYSA-N 368.420 1.979 0 40 FDAB O=C([C@@H]1CN(Cc2cccc(Br)c2)CCO1)N1CCOCC1 1889130303 YODOFLDLBNSDKC-HNNXBMFYSA-N 369.259 1.509 0 40 FDAB C[C@@H](OC(=O)c1cccn1C)C(=O)N1CCN(Cc2ccccc2)CC1 23486133 FNMMWWYBUIEOOG-MRXNPFEDSA-N 355.438 1.915 0 40 FDAB Cc1cc(=NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)[nH]o1 2037916155 ROYIRPDMPIUWSM-LJQANCHMSA-N 359.426 1.639 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978448 WPVIDNZFBIRZLZ-QAPCUYQASA-N 366.421 1.679 0 40 FDAB Cc1cc(CC(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)on1 2037985028 VMTAEGFKVUDUHQ-HXUWFJFHSA-N 369.421 1.808 0 40 FDAB C[C@@]1(C(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC=CCC1 1565554255 VZEOOUGBPYJSGD-QGZVFWFLSA-N 370.515 1.633 0 40 FDAB COc1cc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)on1 1565553894 MNCBMJODVRXFLI-PWSUYJOCSA-N 362.411 1.179 0 40 FDAB Cc1c(C)n2c(SCC(=O)NCCc3ccccc3)nnc2[nH]c1=O 4250414 TYGDLIAMSGTGOD-UHFFFAOYSA-N 357.439 1.485 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1 5272976 KWUYYBKIULEVQS-UHFFFAOYSA-N 374.462 1.813 0 40 FDAB CN(CCc1ccc2c(c1)CCO2)C1CN(c2ccc3nncn3n2)C1 585592740 PWONTMIYYRZIFU-UHFFFAOYSA-N 350.426 1.422 0 40 FDAB O=C(Cn1nnc(-c2ccco2)n1)Nc1cccc(N2CCCC2=O)c1 40068515 YCQMNRCJIMHMGW-UHFFFAOYSA-N 352.354 1.699 0 40 FDAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(-n2cnnn2)c1 40050922 RBQJYNORDNXHLM-UHFFFAOYSA-N 373.380 1.903 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c1 101659770 VNRZHLQHBOBDBQ-MELADBBJSA-N 352.398 1.238 0 40 FDAB CCCn1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 4829856 XKQHREKJLUUBEG-UHFFFAOYSA-N 357.414 1.145 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccco1 54092307 VLDZPBYOVXNDIX-UHFFFAOYSA-N 360.389 1.567 0 40 FDAB Nn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1C1CC1 7976109 BVQQXMUOMVICGF-UHFFFAOYSA-N 357.399 1.650 0 40 FDAB Cc1cc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)nc(C(C)C)n1 54819504 PSVFNHMEQXTQTJ-UHFFFAOYSA-N 356.474 1.923 0 40 FDAB 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O=C(O[C@H]1CCOC1=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3282158 HRBAHDHBVKYLET-ZDUSSCGKSA-N 372.354 1.536 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccc2c(c1)OCCO2 12623916 DXTOAIRSJFJASS-UHFFFAOYSA-N 368.389 1.890 0 40 FDAB CCN(C[C@H]1COc2ccccc2O1)Cn1nnc2ccccc2c1=O 58140346 ZSNJGRNWBVHHKZ-AWEZNQCLSA-N 352.394 1.911 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)cc1OCC(=O)N(C)C 58178097 FVCQDXGLQDEFQB-LBPRGKRZSA-N 350.419 1.108 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1C(F)(F)F 58193061 HXUKASRUTYYQGO-UHFFFAOYSA-N 350.362 1.913 0 40 FDAB NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 3367348 XXAODJBLMPDYOL-UHFFFAOYSA-N 374.418 1.470 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccccc2C(N)=O)cc1 10844822 VGVNBVCBPPYCBW-UHFFFAOYSA-N 354.410 1.603 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1 10040638 BGNYXXPBHYCVQO-UHFFFAOYSA-N 369.373 1.697 0 40 FDAB NC(=O)CN1CCC(NC(=O)NCCCn2ccc3ccccc32)CC1 45608227 YMFBMMGPIPWOHC-UHFFFAOYSA-N 357.458 1.280 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)c1c[nH]c2ccccc12 3413457 VVHJPEPEMFWRKU-UHFFFAOYSA-N 351.318 1.935 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 3502481 LJQVKQQTRNPHAE-STQMWFEESA-N 373.409 1.023 0 40 FDAB CNC(=O)c1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12 12976969 UGJAVEDLWTWDST-UHFFFAOYSA-N 354.341 1.534 0 40 FDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 13101544 BPBZZVHACCGBAB-LJQANCHMSA-N 364.449 1.929 0 40 FDAB CCc1c(COC)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O 22448409 JOXMSCRHJKKCSZ-UHFFFAOYSA-N 358.442 1.814 0 40 FDAB Cc1cc2n(n1)C[C@@H](CNC[C@]1(N3CCOCC3)CCSC1)CN2 65474709 ZFGZGIKPWCZDES-DOTOQJQBSA-N 351.520 1.031 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(C)c2)n1 6590199 SQRZHSPCDJSXIO-UHFFFAOYSA-N 361.423 1.833 0 40 FDAB CN1C(=O)c2ccc(NC(=O)Cn3c(=O)sc4ccccc43)cc2C1=O 6720885 NYEYIUFZJUZYOB-UHFFFAOYSA-N 367.386 1.928 0 40 FDAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 22513851 OGHUCPNTUMYIRR-CQSZACIVSA-N 369.487 1.931 0 40 FDAB 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FDAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(N)=O 4761124 STWYAZLQBVUYRF-SDDRHHMPSA-N 361.508 1.649 0 40 FDAB Cn1nc2c(c1C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)CCCC2 72344646 YLXSLRMYPYDHPC-ZDUSSCGKSA-N 368.503 1.233 0 40 FDAB O=C(O)c1ccc(N2CCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217500775 LFDVDKLZDJJALM-ZDUSSCGKSA-N 354.428 1.442 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)s1 36182884 VZLQINIAOLURHK-UHFFFAOYSA-N 367.456 1.898 0 40 FDAB CCOC(=O)c1ccc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 36357830 VCRNPGRTZLWKGE-MRXNPFEDSA-N 367.405 1.928 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)c3cccs3)C2)cc1 70810367 ATUARWCYWFTCAI-UHFFFAOYSA-N 364.448 1.862 0 40 FDAB C=CCN1C(=O)/C(=C\c2cn(CC(N)=O)c3ccccc23)C(O)=NC1=S 33751442 HHBSQQHPFCFHGR-JYRVWZFOSA-N 368.418 1.780 0 40 FDAB COc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC 36182856 OIAWDPOMCXIIDF-UHFFFAOYSA-N 358.401 1.315 0 40 FDAB CCc1nnc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)s1 72409643 WCUZNCIDBPCBGK-KRWDZBQOSA-N 351.520 1.871 0 40 FDAB Cc1csc2ncnc(N3C[C@H](F)C[C@H]3C(=O)N3CCOCC3)c12 563606148 GSLSNIDINNNZKM-NEPJUHHUSA-N 350.419 1.775 0 40 FDAB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1 225125533 OZJIXMDCYUUGIA-UHFFFAOYSA-N 369.420 1.903 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 229788368 WPHZBSIESYSJEF-KBMXLJTQSA-N 352.818 1.534 0 40 FDAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCN1CCOCC1 222905599 IICCGYKNFNUBHL-HNNXBMFYSA-N 365.449 1.401 0 40 FDAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1 223000478 HGOKLJYLGADLQU-UHFFFAOYSA-N 370.456 1.764 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3ccc(F)cc3C)c(=O)cc2C1 96105690 ZLWJSSAYAMQMKT-UHFFFAOYSA-N 358.373 1.234 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96073764 RIRVIUQXAATOPA-WBMJQRKESA-N 355.435 1.748 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCOCC2)Cc2cccn2C1 247470416 FFNAGIPAMYRGHD-KRWDZBQOSA-N 354.454 1.810 0 40 FDAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(OC)nc(OC)n3)C2)c1 257262538 LLUWNVDBUFHNIY-LBPRGKRZSA-N 357.414 1.869 0 40 FDAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 257220848 DMLIPDKNDRSTEV-HNNXBMFYSA-N 355.442 1.337 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)ncn1 257307062 SXBMWHKCRRAENK-KRWDZBQOSA-N 357.458 1.538 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc2ncccc12 257216429 CUMZRKBWTGUORJ-GUDVDZBRSA-N 355.438 1.579 0 40 FDAB NC(=O)C[C@H]1COCCN1C(=O)c1ccn2cc(C(F)(F)F)nc2c1 616149808 NQSZPWDDMVQRET-JTQLQIEISA-N 356.304 1.070 0 40 FDAB COc1cccc(C[C@@H](N)C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 638287295 DMUCQEJFACMVIP-QGZVFWFLSA-N 370.453 1.744 0 40 FDAB CC1(C)C[C@]1(C(=O)O)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 663111164 SGQNSKFCESSAHV-HXUWFJFHSA-N 367.405 1.873 0 40 FDAB Cn1cc(C[C@@H]2CCN(C(=O)c3cccc(CN4CCOCC4)c3)C2)cn1 673744966 FSYOYZJPFFQGTI-SFHVURJKSA-N 368.481 1.957 0 40 FDAB O=C(NCc1nc(CN2CCN3C(=O)CC[C@@H]3C2)cs1)c1ccccc1 677991462 OLBVMZIBFGEJJS-MRXNPFEDSA-N 370.478 1.880 0 40 FDAB CN(C)c1ncccc1C(=O)NC[C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)O1 1775959598 JQFFYAOAGSCDSV-OCCSQVGLSA-N 356.430 1.793 0 40 FDAB CS(=O)(=O)N(Cc1cccc(Cl)c1)Cc1nnc2n1CCOCC2 1615549178 GTYVREZFCSXBND-UHFFFAOYSA-N 370.862 1.466 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(C)c(F)c(C)c2)CCO1 653552925 OBFPSWKXCMKCEN-HNNXBMFYSA-N 366.389 1.217 0 40 FDAB Cc1nnc2c(N3CCN(c4cc(C(F)(F)F)ncn4)CC3)nccn12 575617828 XHRWRNCRSFNMAD-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB O=C(C1CC(O)C1)N1Cc2cn(CC3CC3)nc2[C@H](COCC2CC2)C1 585110977 MNXWTTPPTYSCAS-NXYGQSRBSA-N 359.470 1.916 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)CC[C@H]1OC 585277715 XHPHZODDRNCXDY-SJLPKXTDSA-N 359.470 1.900 0 40 FDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cccc(C)c1)CC2 585096650 YCOBZOBIZVJTQA-AWEZNQCLSA-N 356.426 1.785 0 40 FDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)Cc2cccnc2)C1 585277604 NMCDICWJSCHUMR-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB CO[C@@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1Cc1ccc(F)cc1 585270820 BLLPPFJRYXZZLQ-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB O=C(Nc1ccn(CCN2CCOCC2)n1)N1CCc2ccc(F)cc2C1 676375870 PNWJIZGJEWZACW-UHFFFAOYSA-N 373.432 1.945 0 40 FDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)CCCn3cccn3)CCO2)c1 585276000 CYOZERKQQBGDBL-FQEVSTJZSA-N 357.454 1.804 0 40 FDAB c1cnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nc1 1775994997 DNMDOEWCWSTHOV-UHFFFAOYSA-N 350.430 1.899 0 40 FDAB O=C(NC1CCOCC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001718 HWNAXIPIFKFBAN-UHFFFAOYSA-N 370.453 1.997 0 40 FDAB COc1ccc([C@@H](O)c2nnc([C@H](O)c3ccc(OC)cc3)nn2)cc1 5064262 FMQXGLIVUSTSAB-HZPDHXFCSA-N 354.366 1.447 0 40 FDAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](C(=O)NCc3cccs3)O[C@@H]2O1 11851682 RLNWDZPIVGNOKU-GEJOOGBSSA-N 369.439 1.761 0 40 FDAB Cc1ccn(CCCNC(=O)Cn2nc(C)n3c(cc4occc43)c2=O)n1 12115438 XIQGXCAFYZCNQY-UHFFFAOYSA-N 368.397 1.262 0 40 FDAB CCc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 12143726 MQPPOWAZQZQDQL-VIFPVBQESA-N 350.400 1.801 0 40 FDAB NC(=O)CCN(C(=O)COC(=O)c1ccc(CO)cc1)c1ccccc1 16811871 SZVSBRCVFDZWBC-UHFFFAOYSA-N 356.378 1.244 0 40 FDAB CCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N2 17073578 JXVWELMVULWCKT-CYBMUJFWSA-N 356.386 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COc1cc2c(cc1OC)CN(C(=O)CN(C)[C@@H](CO)C(C)(C)C)CC2 84169108 IVXGWYGTPZULDJ-SFHVURJKSA-N 364.486 1.927 0 40 FDAB C/C(NCCc1c[nH]cn1)=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 25183229 WDRDGOMTTTUQNP-DTQAZKPQSA-N 367.409 1.716 0 40 FDAB COc1ccc(/C=C(\C(=O)N2CCN(C)CC2)n2ccccc2=O)cc1 57541651 DNBDQQPXAOMZGK-OBGWFSINSA-N 353.422 1.629 0 40 FDAB C[C@H](C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1)n1cncn1 44579666 UCWVUDBGYKDLOG-CQSZACIVSA-N 373.432 1.576 0 40 FDAB CCCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 58102650 GRTMFVRODJMBTO-KRWDZBQOSA-N 365.499 1.394 0 40 FDAB COCCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 58163486 PWWLCLNNGQEJRW-QGZVFWFLSA-N 360.454 1.977 0 40 FDAB CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)no2)cc1 27749908 QHAZHAZTRBJGDB-GFCCVEGCSA-N 350.396 1.657 0 40 FDAB Cc1c(C(=O)N2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 100121215 FNZWIICOCAUHGU-GUYCJALGSA-N 368.441 1.257 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCc1ccc3c(c1)OCO3)C2=O 10751480 RKOZFCBMEKZYJZ-UHFFFAOYSA-N 373.409 1.880 0 40 FDAB 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CCOc1cccc2c(C)nc(NC3=NC[C@@H](CC(=O)OC)C(=O)N3)nc12 22607745 RQTAUUDHTCGGJF-LLVKDONJSA-N 371.397 1.414 0 40 FDAB CNC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 75109436 TUHJPKGHEAFYTG-HNNXBMFYSA-N 362.430 1.051 0 40 FDAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CCN(Cc3ccsc3)C1)C2 306126200 DPIFYXGRPRJZRT-SFHVURJKSA-N 374.466 1.051 0 40 FDAB c1cncc(OCC[C@H]2CN(c3ccc4nncn4n3)Cc3ccnn32)c1 306125280 CLFSIYNDWBDYEY-HNNXBMFYSA-N 362.397 1.746 0 40 FDAB COc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)c1 517851286 KSRJLCUHHMEYSD-OAHLLOKOSA-N 360.458 1.243 0 40 FDAB Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ncc3c(F)cccn23)cn1 529137717 ARNNRGWSAWCREJ-DLUDVSRJSA-N 361.402 1.153 0 40 FDAB CCOC(=O)[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218191770 ZOUBLUUFFYHYFO-GMXVVIOVSA-N 362.245 1.220 0 40 FDAB Nc1nc(=O)n(CC(=O)NCc2ccccc2)c2sc3c(c12)CCC3 71280156 LLBCECDLVNLXDH-UHFFFAOYSA-N 354.435 1.845 0 40 FDAB CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 72241391 QNZGJXRKTJYSRQ-HZPDHXFCSA-N 351.834 1.012 0 40 FDAB Cc1cc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n(C)n1 562942385 HMIGRIHSNBIPMR-UHFFFAOYSA-N 364.452 1.923 0 40 FDAB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 225129988 WDUZXGXSWVXIPL-UHFFFAOYSA-N 355.393 1.845 0 40 FDAB Nc1ccc(-c2ccc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@H]43)cc2)cc1 40167336 BUHCZGHZQKAPGB-HZPDHXFCSA-N 359.476 1.796 0 40 FDAB Cn1c(=O)sc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21 225065432 URRPKFLXAJSPIU-UHFFFAOYSA-N 369.468 1.210 0 40 FDAB CC(C)N(Cc1nc(N)nc(N(C)C)n1)Cc1nc(=O)c2ccccc2[nH]1 83169409 JVXWKGLZQDXAGX-UHFFFAOYSA-N 368.445 1.167 0 40 FDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2)O1 96186946 RIBBDZYHXZPZKQ-ZACQAIPSSA-N 354.397 1.849 0 40 FDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccccc1 95252490 XTNSIJFDDOBHFU-JENIJYKNSA-N 358.486 1.851 0 40 FDAB biogenic,in-vitro COc1ccccc1CNC(=O)Cc1ccc(OCc2nnnn2C)cc1 96191994 KENMHXBERPGQOC-UHFFFAOYSA-N 367.409 1.657 0 40 FDAB COCCn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2cc(Cl)ccc21 95479888 RSNFZGZLWJMTAG-ZDUSSCGKSA-N 370.858 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FNKHYOYRMJUSPK-UHFFFAOYSA-N 363.465 1.889 0 40 FDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCCCC2)[C@@H](O)C1 585283325 NGBYITNOIRENHJ-WMZOPIPTSA-N 352.862 1.764 0 40 FDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1ccccc1)C2 585102899 HHPKXOMVXVHGHI-MRXNPFEDSA-N 359.451 1.545 0 40 FDAB O=C(NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21)c1cnccn1 585112421 PJJXKDPBLDRYSC-MRXNPFEDSA-N 363.425 1.445 0 40 FDAB O=C(c1ccnc(F)c1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107803 BSBCANIYTDMKGC-CVEARBPZSA-N 354.385 1.736 0 40 FDAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3cnccn3)C[C@H]12 585109686 IGCJFNHXKRRWIX-ABSDTBQOSA-N 368.437 1.531 0 40 FDAB CN1C[C@@H](C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)CC1=O 1565521849 BWHOBSRIVWMRER-INIZCTEOSA-N 372.469 1.451 0 40 FDAB O=C(c1cccs1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161681 JHQLDSNFXOLZMD-ZDUSSCGKSA-N 361.423 1.016 0 40 FDAB CCOc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)n1 12224527 NXWPUTIYFBETAC-UHFFFAOYSA-N 362.455 1.695 0 40 FDAB CCc1c(C)nc(N)nc1N1N=C1Sc1nc(Cl)nc(N(C)C)n1 16856954 UYVDGCZWRXBTBE-UHFFFAOYSA-N 365.854 1.717 0 40 FDAB O=C1CCOC[C@]2(CN(C(=O)c3cccnc3)C[C@H]2c2ccccc2)N1 19373768 NEWXOPVMQQSHIT-PXNSSMCTSA-N 351.406 1.597 0 40 FDAB COc1ccc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc1 19555488 WPKUCAWFPAQSCP-UHFFFAOYSA-N 356.426 1.173 0 40 FDAB O=C(C[C@H]1SC2=NCCN2C1=O)NCc1cccc(N2CCCCC2)c1 19661157 LVYPTYJATKQEJT-MRXNPFEDSA-N 372.494 1.997 0 40 FDAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)C(C)(C)n1cnnn1)cn2C 19714402 VLANBWVKLUODIH-LBPRGKRZSA-N 356.430 1.656 0 40 FDAB COc1ccc(CCC(=O)N2CC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 19758350 ZSSVPACCRLPMJG-HNNXBMFYSA-N 368.437 1.841 0 40 FDAB COc1ccccc1Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](C)C3 19818763 LNRGLYCFTLEIHB-NSHDSACASA-N 365.389 1.907 0 40 FDAB Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nn2c1OCCC2 517849956 GFLRJSQDOGEJOS-QGZVFWFLSA-N 370.453 1.605 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911014 HXBUZIJXHJDHRC-GXSJLCMTSA-N 359.348 1.661 0 40 FDAB O=C(c1nc[nH]n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888860256 HCGSSRWHRJHFRG-UWVGGRQHSA-N 352.320 1.427 0 40 FDAB CCn1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c2ccccc21 2037695920 CIDOAQPOBPAMQC-HXUWFJFHSA-N 357.454 1.570 0 40 FDAB COCCOc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cc1 2037983971 MJFCGMRLJJJJJY-FQEVSTJZSA-N 362.470 1.925 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(I)c1 311754953 VIHMTBGIKQZRAW-WYUUTHIRSA-N 367.142 1.734 0 40 FDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@@H]32)n1 2056224730 RVLCYOUCDIQZPO-IRXDYDNUSA-N 356.401 1.650 0 40 FDAB O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1F 4033706 XGUJYYYPZFMQBC-UHFFFAOYSA-N 366.396 1.992 0 40 FDAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(C)cc1C)c(=O)n2C 9571588 MOUABLNJPIATOV-UHFFFAOYSA-N 368.393 1.359 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1 1775973962 SPZIEIOBJUNLMI-UHFFFAOYSA-N 367.471 1.178 0 40 FDAB COc1ccc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1F 575616745 YPLRLFCJEIRKQP-UHFFFAOYSA-N 373.450 1.083 0 40 FDAB CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 2207604 PSOVYVGYEXTOIY-LBPRGKRZSA-N 360.476 1.956 0 40 FDAB biogenic CCOC(=O)Cc1csc(NC(=O)c2ccc(-n3ccnc3)nn2)n1 75163784 MZKUAQIGBNLVDJ-UHFFFAOYSA-N 358.383 1.477 0 40 FDAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 13734666 MOVXILPHJSYAAV-JXQTWKCFSA-N 374.503 1.621 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F 20739883 OOKPXSNMWOBAPQ-MRXNPFEDSA-N 362.361 1.388 0 40 FDAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 32754463 BPRCIYZWAGDQPN-LLVKDONJSA-N 370.409 1.288 0 40 FDAB COc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c(OC)c1 32876452 KRMKEOTUWFCGDU-UHFFFAOYSA-N 359.382 1.220 0 40 FDAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@@H]3CCS(=O)(=O)C3)cc12 32925909 GUHCSILQBOOWEA-LLVKDONJSA-N 365.407 1.993 0 40 FDAB Cn1c2ccccc2n2c(=O)c(=O)n(CC(=O)Nc3cccc(F)c3)nc12 1332634 GLEPEOGPGKTGRE-UHFFFAOYSA-N 367.340 1.126 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 3325754 JPYRXBRKFHASJY-UHFFFAOYSA-N 361.423 1.725 0 40 FDAB CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCCOC 6961168 WYQRXQJLXPEGMC-UHFFFAOYSA-N 366.483 1.983 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(OC2CCCC2)cc1 102204752 JGDTYTOGSCYUOC-QAETUUGQSA-N 370.405 1.815 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 23371174 TXYMRIJBDPPBFW-UHFFFAOYSA-N 362.363 1.605 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC1(c2ccccc2)CC1 54746411 RIPLVWAUALYOKL-UHFFFAOYSA-N 370.430 1.679 0 40 FDAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298067 WSBDNIAFXDFXGF-JQHSSLGASA-N 361.490 1.190 0 40 FDAB biogenic,in-vitro C[C@H](Sc1nncs1)C(=O)N1CCN(C(=O)c2ccco2)CC1 24972257 IMJFFATVMLFZMA-JTQLQIEISA-N 352.441 1.596 0 40 FDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccc(OC)cc3)nnc12 1414225 BKSAXZWORDPBSN-UHFFFAOYSA-N 356.342 1.144 0 40 FDAB O=C(CSc1nnc(-c2ccccc2)o1)N1CCN(C(=O)C2CC2)CC1 43943969 KCCHHTRDUCUYFL-UHFFFAOYSA-N 372.450 1.910 0 40 FDAB O=C(O)[C@@H](NC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 108523502 NYSPQRRENZKGJJ-SIIHOXLZSA-N 367.405 1.803 0 40 FDAB CN(Cc1cscn1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 57996261 KHENXSAYKFRBKK-UHFFFAOYSA-N 351.453 1.955 0 40 FDAB COc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 10292441 FCAXKCFVWSEWTI-UHFFFAOYSA-N 364.423 1.460 0 40 FDAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc2[nH]nnc2c1 58213281 BNVMBGOWVNGRBJ-SFHVURJKSA-N 369.400 1.900 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2cccn2Cc2cccs2)CC1 58283336 GICCZOYUVNOGQZ-UHFFFAOYSA-N 360.483 1.444 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(N(C)C)nc2)c1 58304668 SDPFCWAYRFNOES-UHFFFAOYSA-N 356.382 1.303 0 40 FDAB C/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20332741 HLOIRJWCUAQARO-FYWRMAATSA-N 359.430 1.548 0 40 FDAB Cc1c(CC(=O)NC[C@H](O)c2ccccc2)c(=O)oc2cc(O)cc(O)c12 12887345 QFWZONPIXDBMRS-INIZCTEOSA-N 369.373 1.905 0 40 FDAB biogenic Cc1ccc2c(c1)[C@](O)(CC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)N2 20407551 NXDMLOSQADNDSM-GOSISDBHSA-N 374.418 1.779 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1 2655905 BFUQSOOVQRUNRP-UHFFFAOYSA-N 374.437 1.975 0 40 FDAB COCCn1c(S[C@H](C)C(N)=O)nc2sc3c(c2c1=O)CCCC3 3457023 IMGUBVJCCJREQV-SECBINFHSA-N 367.496 1.949 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1 12944381 PBVFRWDIPLIGLK-UHFFFAOYSA-N 363.439 1.405 0 40 FDAB CCCc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 12997275 XJBRWGLMIFIHIN-OAHLLOKOSA-N 357.497 1.979 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 9885312 XPIDJFNFPXORRP-BNOWGMLFSA-N 356.378 1.736 0 40 FDAB Cc1cc(C)n2nc(C(=O)NC[C@H](c3ccco3)N3CCCC3)nc2n1 13020963 RUHKZUQKIQVQSZ-CQSZACIVSA-N 354.414 1.901 0 40 FDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 5077312 XGQWEIYWDPCHLW-LJQANCHMSA-N 373.409 1.284 0 40 FDAB CCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CCOC)C2=O)C1 306129209 HXMFDLDLZWBPHM-HNAYVOBHSA-N 362.474 1.665 0 40 FDAB Cc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCOCC2)cc1 9238787 ZCIIVUBTOXKPOV-CABCVRRESA-N 359.455 1.513 0 40 FDAB O=C1[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(F)cc1 96006738 PSVYJTAWGXVRPE-ZDUSSCGKSA-N 356.325 1.798 0 40 FDAB O=C(c1ccncc1)N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 14250389 AFEGCKJGXZXJFZ-UHFFFAOYSA-N 356.426 1.116 0 40 FDAB NC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4672213 DHJAMYKQLPFWRU-SXGWCWSVSA-N 369.352 1.783 0 40 FDAB CN1CCC[C@@H]1c1nc(C(=O)NCCN2CCOCC2)c2ccccn12 306124852 CAVGSWCMTBVITA-MRXNPFEDSA-N 357.458 1.163 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC 6719148 BEMNAPZCJGNBSL-AAEUAGOBSA-N 356.469 1.799 0 40 FDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20008426 TZCBJKUXMQHWAG-INIZCTEOSA-N 362.451 1.639 0 40 FDAB CN(CC(=O)OCC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 8632296 QJHUKKVTZFDRBT-UHFFFAOYSA-N 374.846 1.126 0 40 FDAB CCCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 75109867 JJHQKDXTKJRADD-UHFFFAOYSA-N 361.402 1.101 0 40 FDAB O=C(NC[C@H]1CN(Cc2ccccc2)Cc2ccnn2C1)c1cnccn1 306130406 JFGJOLDCVBQRSG-KRWDZBQOSA-N 362.437 1.735 0 40 FDAB Cc1ccncc1S(=O)(=O)NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 408494588 DPHGLIIKHYRZLI-LSKIRQOJSA-N 364.345 1.551 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 408615735 ROMGXGCAUBAQOZ-SNVBAGLBSA-N 364.851 1.266 0 40 FDAB Cn1ccnc1CN(C(=O)CCOCC(F)F)[C@H]1CC12CCNCC2 568632843 JDCITAXDWAPYBU-ZDUSSCGKSA-N 356.417 1.563 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc21 40288505 KBQKDQUGLPSVMV-AGIUHOORSA-N 355.394 1.309 0 40 FDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccc(Cl)cc21 40013535 OGXKMXNJMYIWIU-GHMZBOCLSA-N 353.831 1.981 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)Nc1cc(N2CCCC2)ncn1 75166319 SGSGIWCMLBCJLM-UHFFFAOYSA-N 364.409 1.816 0 40 FDAB Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)CC2)cc1 225790192 PNCDCWBGQYHWQO-MLHJIOFPSA-N 356.422 1.293 0 40 FDAB Cc1cc(CNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)cc(C)n1 572987403 XFDUALCISKQZJI-MRXNPFEDSA-N 370.457 1.260 0 40 FDAB COc1ccccc1-c1c2c(=O)n(-c3ncn[nH]3)ccc2nc2nc(C)nn12 40398463 JTMZRAQZNYJROK-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB Cc1cncc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 96237717 JULNNZYLEPMRHW-NRFANRHFSA-N 364.449 1.953 0 40 FDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3c(C)nn(C)c3C)OCC(=O)N2C)cc1 96181403 RYDZDGREMDDDAJ-MSOLQXFVSA-N 356.426 1.882 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccco1 96231182 XUYGCGRLZMNCTK-INIZCTEOSA-N 355.394 1.839 0 40 FDAB COc1cc(N2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)ncn1 96208876 QCMRPMIGZHTIQQ-CVEARBPZSA-N 354.410 1.744 0 40 FDAB COc1cccc(CNC(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)c1OC 582337800 GEVOFMOGEBMUHO-JSGCOSHPSA-N 352.387 1.383 0 40 FDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 248046356 MHCAFLUVNWRRPQ-BBRMVZONSA-N 352.460 1.029 0 40 FDAB O=C(O)COCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 247389895 LBTDMFSDZAXFGR-AWEZNQCLSA-N 357.362 1.851 0 40 FDAB Cc1n[nH]c(C)c1-c1nccnc1[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 257249795 JJUOIASMZNMLCV-CYBMUJFWSA-N 364.475 1.469 0 40 FDAB CCc1cc(NC(=O)N2CCN(CCn3cccn3)C[C@H]2CC)n(C)n1 605931506 OYFIYVSUACAAKN-MRXNPFEDSA-N 359.478 1.807 0 40 FDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCn3cnc4ccccc43)CC[C@@H]21 257316783 VGZGLNMYODFGIL-IRXDYDNUSA-N 356.426 1.275 0 40 FDAB Cc1cccc2nc(C(=O)N3CCO[C@H](CCc4ccncn4)C3)cn12 257280047 OJFXLVPDBRZKMK-MRXNPFEDSA-N 351.410 1.907 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257327272 XASYMTVHXZRIJI-KRWDZBQOSA-N 355.442 1.625 0 40 FDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)nc1 257333493 YBTYOTXYGZVLBH-SFHVURJKSA-N 355.442 1.895 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H](Cc3cnc(-c4nccn4C)cn3)C2)cn1 257285604 PHXYHROJZRTKIZ-ZDUSSCGKSA-N 351.414 1.315 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cnnc(-c2ccccc2)c1 643946927 NKUWPCJCPDLJAE-IBGZPJMESA-N 354.410 1.511 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1cn(C)nc1-c1ccccc1)N(C)C2 644409786 MDJOOLGKSFQMIU-HNNXBMFYSA-N 351.414 1.440 0 40 FDAB CCN1CCN(C(=O)CC2CCN(c3ccnc(C(=O)O)c3)CC2)CC1 650767287 PJOAQBLKVFDHMM-UHFFFAOYSA-N 360.458 1.550 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)n1cnnn1 604419605 HPGMQCJFVCEWRK-DZKIICNBSA-N 368.445 1.709 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678560 WAJHTVNNDJIECS-UHFFFAOYSA-N 368.393 1.149 0 40 FDAB CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc2cncn2c1 656367076 GOWNZMDMVLCATQ-HNNXBMFYSA-N 350.444 1.443 0 40 FDAB CO[C@](C)(C(=O)O)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 663081546 NCNQKLDLARQNKI-SFHVURJKSA-N 358.398 1.667 0 40 FDAB COCC(=O)N[C@@H]1CN(c2nnc(C(C)C)s2)C[C@H]1c1ccnn1C 1615553538 SLRWPCZFTOPCOF-VXGBXAGGSA-N 364.475 1.130 0 40 FDAB C[C@H](CC(=O)N1CCc2c(ncn2C)C12CCOCC2)N1CCCCC1=O 1615591205 RGMDYICNAJNLOA-OAHLLOKOSA-N 374.485 1.602 0 40 FDAB CN(C)C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 608085113 HWLDUHIIYJFNEF-SNVBAGLBSA-N 367.393 1.120 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@@H]2CCC(=O)N2)c1 619138731 PPCJGITWQQEMJB-DLBZAZTESA-N 357.454 1.693 0 40 FDAB COCc1nc(SCC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]1 390822774 JICVQELDTXCSRD-UHFFFAOYSA-N 373.438 1.724 0 40 FDAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423788 RFJCWXDLBOQVIR-HOTGVXAUSA-N 369.464 1.008 0 40 FDAB CCc1ccnc(CNC(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)c1 652095482 IYCMEEXVAPMCAD-CQSZACIVSA-N 374.441 1.251 0 40 FDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095163 HJEAZHPYOSTARR-KRWDZBQOSA-N 362.474 1.745 0 40 FDAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102232278 IWHOIHUIJSXKEG-HZPDHXFCSA-N 372.421 1.906 0 40 FDAB CC(=O)N[C@H](Cc1cc(C)c(O)c(I)c1)C(=O)O 17004417 DZHRHKXOBCVTBR-SNVBAGLBSA-N 363.151 1.437 0 40 FDAB O=C(COC[C@H]1CCCO1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19292277 WSVJXUMIHFKFDE-WBVHZDCISA-N 360.458 1.372 0 40 FDAB Cc1cc(CN(C)C(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)n[nH]1 19746279 CIIFPEFKXDQWFR-UHFFFAOYSA-N 371.441 1.211 0 40 FDAB CN(C)C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 608085112 HWLDUHIIYJFNEF-JTQLQIEISA-N 367.393 1.120 0 40 FDAB O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCN2CCOC[C@H]2C1 544674426 NUCBTFAKXZIZFF-CYBMUJFWSA-N 365.282 1.840 0 40 FDAB CC(=O)NC[C@@H]1CN([C@H](C(=O)O)c2ccccc2Br)CCO1 659787383 HFISHJWAMKVIDJ-RISCZKNCSA-N 371.231 1.412 0 40 FDAB CC(C)N1CC[C@@H](N2CCN(c3cc(C4CCOCC4)ncn3)CC2)C1=O 1888834001 HEEGQEPKYHJGHD-GOSISDBHSA-N 373.501 1.502 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cscn5)C[C@H]4C3)nn12 1888879497 SPXDJIZVVYMYEI-VXGBXAGGSA-N 355.427 1.098 0 40 FDAB CC(C)N1CC[C@@H](N2CCN(c3nccc(-c4ccccn4)n3)CC2)C1=O 2086903798 CEQROJKSRFMSJL-GOSISDBHSA-N 366.469 1.670 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565554648 WXEIJRGGQNNQJN-CVEARBPZSA-N 365.437 1.037 0 40 FDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 3007550 YSRHJSWXBXMVQK-UHFFFAOYSA-N 371.437 1.551 0 40 FDAB O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccnc1 9651478 LITNTJIYHPHTJU-UHFFFAOYSA-N 374.397 1.423 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 20614850 BHSYRDPQKSEGKF-INIZCTEOSA-N 350.440 1.940 0 40 FDAB O=C([C@H]1CN(CCc2ccc3c(c2)CCO3)CCO1)N1CCSCC1 2086854832 XKRFHNJNMPPPAU-GOSISDBHSA-N 362.495 1.440 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc3c(c2)OCO3)CC1 43980540 CMIXMHLOTGEHKN-UHFFFAOYSA-N 355.416 1.208 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cnc5ccccc5n4)C3)nn12 585607822 SOOMSSGGRZKWFH-UHFFFAOYSA-N 374.408 1.337 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Nc2ccccc2Cl)CC1 618256848 XXGSVOIIXHWIER-UHFFFAOYSA-N 374.894 1.980 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 23256894 TZMYVUIEFGAYOZ-CALCHBBNSA-N 372.513 1.408 0 40 FDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NC[C@H]3CCCO3)n2)cc1 20717387 JIBDILYCKMJFQI-CQSZACIVSA-N 360.370 1.516 0 40 FDAB O=c1c(NCc2ccco2)c(NC[C@H](c2ccco2)N2CCOCC2)c1=O 101693624 WTVJHEWFFQEQAE-CQSZACIVSA-N 371.393 1.566 0 40 FDAB NC(=O)[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 21489111 GGBYABHMOLLIAN-KRWDZBQOSA-N 356.403 1.895 0 40 FDAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 52635895 RTDGHXXVCCQPKS-CQSZACIVSA-N 353.426 1.828 0 40 FDAB CN(Cc1ccc(O)cc1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 32921936 BRDZCUVREUQIAS-UHFFFAOYSA-N 367.413 1.100 0 40 FDAB CS(=O)(=O)Nc1cccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)c1 103022576 CPMYQWRVTFCQLE-MRXNPFEDSA-N 373.434 1.798 0 40 FDAB Cc1nc(C)c(CC(=O)NCc2cccc(C(=O)N3CCCC3)c2)c(=O)[nH]1 46843087 KPLNNFPZJVJRKW-UHFFFAOYSA-N 368.437 1.482 0 40 FDAB O=C(NCCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4475767 MFFWLTUKRCPDQN-UHFFFAOYSA-N 360.863 1.239 0 40 FDAB CCC1=NN(C(=O)C(=O)Nc2ccccc2OC)[C@](O)(C(F)(F)F)C1 4498589 NOPVUINLBZUXCL-CQSZACIVSA-N 359.304 1.883 0 40 FDAB CC(C)CCNC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348365 ZGXKBXNHSZCBDJ-UHFFFAOYSA-N 351.432 1.278 0 40 FDAB Cc1c(OCC(=O)N2CCNC2=O)ccc2c3c(c(=O)oc12)CCCC3 61720112 CWEYBWJTLRHVQU-UHFFFAOYSA-N 356.378 1.911 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=S)N[C@]1(O)C(F)(F)F 8683630 QJLVSWMMXNBJGU-GIPNMCIBSA-N 366.336 1.775 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(Nc2ccccc2F)s1 9513507 YQXZACBRELEZTE-UHFFFAOYSA-N 356.404 1.802 0 40 FDAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)n1 25168606 YIZDPJQVEAPNSF-INIZCTEOSA-N 360.439 1.815 0 40 FDAB CN1C[C@@H](C(=O)Nc2ccc(-n3cc(Br)cn3)nc2)CC1=O 72401367 JJECFUWFTGSMFF-VIFPVBQESA-N 364.203 1.447 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2cccnc2)c1 57279526 KTWKIMXQUBRCAN-UHFFFAOYSA-N 374.426 1.242 0 40 FDAB COc1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1OC 72406340 LXZXFSKMDCHYPX-GFCCVEGCSA-N 355.354 1.349 0 40 FDAB CN1CCN(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 22830064 IKARGCLKVJYRPN-UHFFFAOYSA-N 366.314 1.660 0 40 FDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCC[C@H]1CCCO1 58215364 FJBAHROLBQNKLF-SNVBAGLBSA-N 351.794 1.623 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 12744840 OZYQTEGXPDOJDQ-UHFFFAOYSA-N 365.389 1.843 0 40 FDAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(O)cc1 101163478 QLHIRBLHHAYYDY-SFHVURJKSA-N 369.396 1.985 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 8727477 CGIRSLXQPAMGSF-UHFFFAOYSA-N 350.412 1.161 0 40 FDAB C[C@H](OCc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48302385 NUGWBWIELGQBJW-HNNXBMFYSA-N 370.453 1.746 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(-n3cccn3)cc2)C1=O 36394808 TVYJVKUIZZZTJG-UHFFFAOYSA-N 369.425 1.599 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)Cn1nc(-n2cncn2)ccc1=O 36390738 KZOKQXCEHICOBH-UHFFFAOYSA-N 374.788 1.433 0 40 FDAB Cc1cc(NC(=O)CN2CCC(C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 12943284 COWLFQZQAQGLCN-CQSZACIVSA-N 354.476 1.222 0 40 FDAB CCN1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 46321766 YCKNSQWCZIBHKM-CYBMUJFWSA-N 356.426 1.362 0 40 FDAB O=C(CN1CCCCCCC1=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 48679327 HAZFWJJZNONOMK-OAHLLOKOSA-N 364.467 1.814 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 8890427 ZLJUJGFXKRHLQZ-JZKQVHKSSA-N 355.438 1.884 0 40 FDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1 6370921 DBQFCLMLJZPLQJ-UHFFFAOYSA-N 359.382 1.521 0 40 FDAB CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 6379427 PHIMVQLOTVMJSH-UHFFFAOYSA-N 367.496 1.821 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1=NCCS1 14118549 SIIOXVHJSYAQHU-UHFFFAOYSA-N 372.376 1.912 0 40 FDAB CCOC(=O)N1CCN(CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)CC1 16078401 VCWPSXVWILSOPS-OAHLLOKOSA-N 374.441 1.884 0 40 FDAB CCOc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)cc1 7883129 MYKNMYAFCCERAO-AWEZNQCLSA-N 363.439 1.744 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408616590 AINXWGZIQYNZGM-UHFFFAOYSA-N 370.471 1.249 0 40 FDAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 9302685 MYTHDDPRIDIHPS-PDOICOKGSA-N 367.405 1.210 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@](CCC)(c2ccccc2)C1=O 8323867 QSMXZOSWJGBTAF-GOSISDBHSA-N 360.414 1.470 0 40 FDAB C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1N1CCOCC1 69488109 LVKZAEPPQLPFKB-HNNXBMFYSA-N 355.442 1.772 0 40 FDAB CC(C)n1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)cn1 306142794 XKCUWIGACRABAK-YQVWRLOYSA-N 371.485 1.679 0 40 FDAB C[C@@](O)(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 72285014 ZMDMNMDMAXMNPM-OXQOHEQNSA-N 359.470 1.938 0 40 FDAB C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O 113957839 FJKWXNTXOMQNCM-LBPRGKRZSA-N 357.451 1.191 0 40 FDAB COc1ncccc1CN1CC[C@]2(C1)CN(S(C)(=O)=O)c1cccnc12 306126801 FFOZRACFDYQFNN-SFHVURJKSA-N 374.466 1.409 0 40 FDAB Cc1cc(N2CCC[C@H](C(=O)NCc3ccccc3)C2)n2ncnc2n1 35311013 XLEPOFBKLLAIBJ-INIZCTEOSA-N 350.426 1.966 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598306 NMNIGYKFVVYEAP-UHFFFAOYSA-N 374.470 1.409 0 40 FDAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NC1CCCC1 35315626 BYJJCJIOKNWPMQ-UHFFFAOYSA-N 355.394 1.740 0 40 FDAB O=C(NCc1nncn1C1CC1)c1ccc2c(=O)n3c(nc2c1)CCC3 522017671 BDBKSXKOXOOXNV-UHFFFAOYSA-N 350.382 1.199 0 40 FDAB CN(C)c1cc(C[C@@H]2CNCCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 72355169 HVXWYFCXAWSWJB-MRXNPFEDSA-N 371.460 1.515 0 40 FDAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)ncn1 79438989 SRWGJWVABQOQOF-LLVKDONJSA-N 352.391 1.386 0 40 FDAB O=c1[nH]nc2c3c(nc(N4CCCC4)n12)CCN(Cc1ccccc1)C3 72347610 NDYCMWWHHOUAPO-UHFFFAOYSA-N 350.426 1.576 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2cc3ccccc3oc2=O)CC1 43980019 KZWQFBFMVPLXMC-UHFFFAOYSA-N 364.423 1.194 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 44841292 LVOOQXQYWNUADN-UHFFFAOYSA-N 351.362 1.750 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(F)cc2)c1 40268553 CKYNMKIWOHTPEN-UHFFFAOYSA-N 354.345 1.365 0 40 FDAB O=C(N[C@H]1CCSC1=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100470 HNKCCNFUKBVIQF-VIFPVBQESA-N 373.316 1.323 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cccnc2)CC[C@@]1(C)O 514290202 VLMZXPDIEFAUAC-PCCBWWKXSA-N 369.465 1.911 0 40 FDAB biogenic,in-vitro Cn1ccnc1CN1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 96078871 ADVZGNNRAJSUNL-UHFFFAOYSA-N 360.483 1.734 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 96065484 YPBADGJDADHEGK-JYJNAYRXSA-N 358.467 1.834 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)cn1 96060801 JJOQQBAYIKSSMX-QGZVFWFLSA-N 352.442 1.865 0 40 FDAB CN(C)C(=O)N1CCC(c2cc3c(ncn3C)c(N3CCOCC3)n2)CC1 96267121 VYOHSJHLUIQUNL-UHFFFAOYSA-N 372.473 1.666 0 40 FDAB CC1CCN([C@H](CN[C@H]2CS(=O)(=O)C[C@H]2O)c2cccs2)CC1 245266979 KXHXZBSDLYIBHB-RRFJBIMHSA-N 358.529 1.269 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)NC2(c3ccccc3Cl)CC2)CCO1 584888242 XPHCMFJGUNUQOV-CQSZACIVSA-N 351.834 1.828 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)no1 253480293 VVMNBMZTJKAYHV-CQSZACIVSA-N 358.398 1.863 0 40 FDAB Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(S(C)(=O)=O)CC3(C)C)cc1 253401523 NDTXBBLQLQQDJJ-INIZCTEOSA-N 365.499 1.175 0 40 FDAB biogenic,in-vitro CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)CCC(C)C)CC2)CC1 257320863 VYXQQEOQEMTLTG-FQEVSTJZSA-N 367.534 1.767 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCC2CCN(C)CC2)[C@@H]1c1ccccc1 257340168 ZEWAKCZRHABLJM-QUCCMNQESA-N 373.497 1.681 0 40 FDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 257290328 QCLABGGTDBGGJR-ZDUSSCGKSA-N 354.414 1.063 0 40 FDAB Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)n1C 257332524 XXQZHGPWBBSOMR-CQSZACIVSA-N 365.441 1.939 0 40 FDAB CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 262641510 HMKDKLKXYQNJLS-AWEZNQCLSA-N 354.428 1.205 0 40 FDAB CCn1nccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643669616 JHDRFGWYFNXVND-CYBMUJFWSA-N 350.448 1.285 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)COc1ccc(F)c(Cl)c1 643952152 SCDDSPOEEWLJNS-MRXNPFEDSA-N 358.797 1.612 0 40 FDAB Cn1cccc1[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O 673721766 WUMQOKFRNDIAKH-KRWDZBQOSA-N 351.410 1.884 0 40 FDAB CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1cnn(C)c1 604277765 PDRIPKWNHZICOU-MLGOLLRUSA-N 373.388 1.206 0 40 FDAB CC(=O)NC[C@H]1C[C@H](c2nnc(N3Cc4ccccc4C3)n2C)C[C@H]1O 1775956917 RDVFKPNUFIQHQX-GVDBMIGSSA-N 355.442 1.326 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(F)c1F 1775961773 ZGZZDNIRRIAYIF-ZJUUUORDSA-N 358.370 1.590 0 40 FDAB Cn1ccnc1CN(C(=O)NCCC1=CCNCC1)[C@@H]1CC12CCNCC2 1775960581 TWFYQMSGADTVFH-QGZVFWFLSA-N 372.517 1.384 0 40 FDAB COc1ccccc1[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)OC 96384695 QVTNDWKHCXMMTN-MRXNPFEDSA-N 370.471 1.171 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@@](O)(COc3cccc(C)c3)C2)CC1 585269243 MRQZUWUQKZDAGJ-HXUWFJFHSA-N 362.470 1.448 0 40 FDAB O=C1CCc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)ccc2N1 54486049 LCPRWDRZVCJEOE-UHFFFAOYSA-N 350.422 1.924 0 40 FDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CCO)C1CC1 89368990 ABCYQIHAWFHBIW-QMMMGPOBSA-N 361.261 1.612 0 40 FDAB COc1ccccc1CC(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 1565524986 UITMNUKQENYXHQ-UHFFFAOYSA-N 367.405 1.448 0 40 FDAB CCn1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615156442 KPMNATYYGBIQNY-IBGZPJMESA-N 372.400 1.690 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)[C@H]3CCCO3)nc12 12146386 QNBNMLNTZKWTHG-XJKSGUPXSA-N 354.410 1.641 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 12545709 HEXQNBJTYYCKEO-UHFFFAOYSA-N 368.455 1.484 0 40 FDAB O=C([C@H]1CCOC1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268090 FFIRXIMOEJYJLM-ZDUSSCGKSA-N 355.398 1.382 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nncs1 14185716 POLWGLZKOXWFNR-QMMMGPOBSA-N 370.481 1.255 0 40 FDAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3C(=O)CCC3CCCC3)c2[nH]1 19286490 ZPYBMOCZOWSUML-CQSZACIVSA-N 358.446 1.784 0 40 FDAB CCOCCCNC(=O)Cn1nc2c3ccccc3nc(CC)n2c1=O 19523256 HIYJRCRSAFTOKW-UHFFFAOYSA-N 357.414 1.149 0 40 FDAB Cc1cccn2cc(C(=O)N3CCO[C@](C)(C(=O)NC4CCCC4)C3)nc12 19746911 JQUXVZPGCUTLJW-FQEVSTJZSA-N 370.453 1.933 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCc1ccccc1OC 5403303 XGHTWHOMOGVCFO-PXNMLYILSA-N 364.423 1.291 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O 8844914 NSLGVXTUSXWZRD-BUXKBTBVSA-N 373.409 1.897 0 40 FDAB CN(Cc1nncn1C)C(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644480692 DNDNYVDLOUSCGI-LJQANCHMSA-N 357.458 1.191 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2NC1=O 8014211 KBGCKCSSJZHVNT-JTQLQIEISA-N 365.345 1.641 0 40 FDAB Cc1cc(CN2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)no1 1888929982 DWBPWDKWEWHEAA-ZIAGYGMSSA-N 372.450 1.496 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3csc(C)n3)CC2)n1 1889092478 PWLOQALMCJSMRQ-UHFFFAOYSA-N 374.514 1.709 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccnc3)CC2)n1 1889108824 ZFSUDMLLSBZTDB-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccn3)C[C@H]3OCC[C@H]32)o1 1614927634 YXWANUCRKQTJGT-QGPMSJSTSA-N 369.421 1.919 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565551926 UUKOFYPMZWGMHY-JJRVBVJISA-N 359.426 1.652 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 10188514 PPVPLCGPFOCYME-UHFFFAOYSA-N 352.394 1.853 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)cn1 2055738593 ASSFQJSXBFZQEQ-LBPRGKRZSA-N 355.398 1.200 0 40 FDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2cccnn2)C1 225420646 OLSAAAYVEMSJJU-AWEZNQCLSA-N 365.459 1.713 0 40 FDAB Cn1c(=O)c2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cnc2n(C)c1=O 32902522 RLWKOCDHPVHWLE-JTQLQIEISA-N 370.331 1.047 0 40 FDAB COc1cccc(C(=O)NCCNC(=O)c2nc(-c3ccccc3)no2)c1 12371539 HXDJEOXGFIEKCM-UHFFFAOYSA-N 366.377 1.905 0 40 FDAB CC(C)CC(=O)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 1339538 XCVQLNFWTHOPFH-UHFFFAOYSA-N 372.429 1.184 0 40 FDAB CC(=O)OCC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1 1704822 YBPOUYKRSJRDEC-UHFFFAOYSA-N 352.295 1.208 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2nccs2)CC1 22281539 NKDAOYWIKCAXSN-UHFFFAOYSA-N 372.450 1.607 0 40 FDAB Cc1cc(NC(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)n(C)n1 47499262 QIPWHODFWXUDAI-UHFFFAOYSA-N 365.478 1.904 0 40 FDAB Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 7777382 LSTRQYVVRKBMFM-UHFFFAOYSA-N 371.422 1.153 0 40 FDAB COc1c(C)cccc1C(=O)NC(=S)Nn1c(C)nnc1SC 107908957 QHPKNZXXHRMNIF-UHFFFAOYSA-N 351.457 1.884 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 72400805 GNLVEISKRPZTRM-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB O=C(NCCc1cccnc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 23874559 JICLLLAWVUCJHK-HNNXBMFYSA-N 367.405 1.565 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCn3nnc4ccccc4c3=O)cc12 24033107 KAWXXUOTDKLEAY-UHFFFAOYSA-N 363.381 1.410 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)Nc2nccs2)CC1 105801609 HBTMFVZFSVWRBP-CQSZACIVSA-N 365.503 1.100 0 40 FDAB Cc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)c(C)o1 56865824 QPLQMGDXZYHUSK-ZDUSSCGKSA-N 359.430 1.649 0 40 FDAB CC(C)c1ccc(S(=O)(=O)c2cnc(S(C)(=O)=O)nc2N)cc1 57478017 CMUJQTFWYZYOLO-UHFFFAOYSA-N 355.441 1.419 0 40 FDAB Cc1cnc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 100128316 AZQQBGJAXPUMSW-STQMWFEESA-N 361.471 1.638 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)C(C)C 58399590 GAHOJWZHHARIAX-CYBMUJFWSA-N 370.471 1.490 0 40 FDAB COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 28388802 SSISYZKVUQIEEO-ZDUSSCGKSA-N 356.378 1.892 0 40 FDAB Cc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1 2393075 ZCBHSROFDOTUIM-UHFFFAOYSA-N 369.469 1.623 0 40 FDAB CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(Cc1cccnc1)C2=O 36678962 MQSOENBFGDCLTR-KRWDZBQOSA-N 350.378 1.780 0 40 FDAB COc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1 20141603 SFYLFUCHEMKWIH-SFHVURJKSA-N 368.441 1.660 0 40 FDAB CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 48341230 DGRHULZMOAGDBH-UHFFFAOYSA-N 367.515 1.478 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O 3464761 OYXJWJRKDQMNFU-GTNSWQLSSA-N 362.386 1.106 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2CN2CCCC2)C[C@@H](C)O1 12976737 XGMSERRCVHTRLM-IYBDPMFKSA-N 367.515 1.726 0 40 FDAB Cc1nnc(CN2C[C@@]3(F)CN(C(=O)C4CCCCC4)C[C@@]3(F)C2=O)o1 306129648 IIZVJILTPIEFSY-IAGOWNOFSA-N 368.384 1.559 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 5016590 ZWKVZZZSBSEMLL-UHFFFAOYSA-N 370.471 1.311 0 40 FDAB Nc1nonc1-n1nnc(C(=O)O)c1-c1ccc(Br)cc1 4281584 KOTDUVFJUKFHJG-UHFFFAOYSA-N 351.120 1.360 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 5263421 PDLJNWJCTWPBIF-GOSISDBHSA-N 361.398 1.140 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 14071974 HXJNDDMUCDQZHO-UHFFFAOYSA-N 362.437 1.685 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NCc1ccc(C(=O)O)cc1 4783999 XWBZTNKQMXGYCF-UHFFFAOYSA-N 369.406 1.769 0 40 FDAB COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1 4885281 WEINQNVRJXNWJV-UHFFFAOYSA-N 364.379 1.950 0 40 FDAB Cc1ccc2c(c1)CCCN2CC(=O)N1CCN(c2ncccn2)CC1 7214783 BSMFOLNXGYKDOS-UHFFFAOYSA-N 351.454 1.886 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2Cl)cc1 15614528 WSAPEJAFTGBHRC-UHFFFAOYSA-N 354.815 1.683 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 15713930 MRNAXYNAYNRDOL-GJZGRUSLSA-N 367.467 1.884 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)CC1 8216362 RAYXEBJVXPYXTB-UHFFFAOYSA-N 352.847 1.999 0 40 FDAB CC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@](O)(C(F)(F)Cl)C1 17073719 OIXMGWNMFORUGJ-JTQLQIEISA-N 356.782 1.327 0 40 FDAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N(CCO)CCO)c(C)c12 8764236 DCDMCWAZRUCTBG-UHFFFAOYSA-N 373.405 1.820 0 40 FDAB biogenic Cc1csc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)n1 306140514 UVZDWHRLSQFYNI-RBSFLKMASA-N 359.455 1.118 0 40 FDAB Cc1cc2ccccc2n1CC(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 95998120 AJZAITHZXMCDNW-UHFFFAOYSA-N 353.426 1.852 0 40 FDAB COc1ccc(CCn2c(=S)[nH]cc(CC(=O)O)c2=O)cc1OC 20156326 SZGZIGUATYHJLO-UHFFFAOYSA-N 350.396 1.793 0 40 FDAB O=C(O)CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1 408544940 JGHKYJLTUMVAKA-UHFFFAOYSA-N 368.846 1.930 0 40 FDAB Cc1nnc(N2C[C@H]3OC[C@@H](CNC(=O)c4cscn4)[C@H]3C2)s1 306141971 WLRAXEUZRVQKRM-CKYFFXLPSA-N 351.457 1.184 0 40 FDAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1C 72390972 NFHIEFPAZRECQG-MRXNPFEDSA-N 366.465 1.998 0 40 FDAB Cc1cccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)n1 72335465 TYGODDVGZVKNGB-HUUCEWRRSA-N 369.469 1.645 0 40 FDAB CSCC[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 71332928 NZZLNJQNEXFTBV-LLVKDONJSA-N 367.452 1.294 0 40 FDAB CCC(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 85435936 DZONUXLCJIFPBT-RYQLBKOJSA-N 365.474 1.638 0 40 FDAB biogenic,in-vitro Cc1ccc(CNC(=O)N2CC[C@@](F)(CO)C2)c(O[C@@H]2CCOC2)c1 332732466 WUYFKEPRLVJGCY-QAPCUYQASA-N 352.406 1.779 0 40 FDAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cn1cc(S(N)(=O)=O)cn1 332197525 WKROLRFXZAFXCB-GHMZBOCLSA-N 366.418 1.204 0 40 FDAB CCCS(=O)(=O)N1CC[C@@]2(CN(c3ccsc3)C(=O)CN2C)C1 96237691 RECJHRUEMAUADM-HNNXBMFYSA-N 357.501 1.211 0 40 FDAB Cc1noc(CN2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)CC2)n1 580393016 VYNQFCDEDFIYPK-OXHZDVMGSA-N 374.363 1.378 0 40 FDAB CN1C[C@@]23CN(C(=O)Nc4ccc(Cl)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146077 YFHWJCSFWIISQY-VNHYZAJKSA-N 371.846 1.359 0 40 FDAB Cc1ccsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccnnc2)C1 96214931 YJXTXZDXXGBZTD-QAPCUYQASA-N 358.467 1.725 0 40 FDAB COc1cc(N2CC3(CC[C@@H](CNC(=O)c4cccn4C)CO3)C2)ncn1 248118730 JGTSRVSAMWXLLM-AWEZNQCLSA-N 371.441 1.239 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccoc1)CC2 247917641 ZPWASFVGXCDPNH-CQSZACIVSA-N 356.444 1.040 0 40 FDAB CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 585086003 UEXOFLPSSLATRG-ZDUSSCGKSA-N 360.426 1.778 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@@H](c2ncncc2-c2ccnc(N)c2)C1 257307779 TUBYHTOMQXFXGQ-CQSZACIVSA-N 357.414 1.446 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)CCn2nccc2C)CC[C@@H]1O 257271501 MYOWZAQRVKTZFZ-WMZOPIPTSA-N 358.442 1.716 0 40 FDAB C[C@@]1(O)CCN(Cc2cccc3[nH]ccc23)C[C@H]1n1ccc(O)nc1=O 257316756 VGVVNJLSABFGLM-VQIMIIECSA-N 354.410 1.628 0 40 FDAB Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)n1 257245326 IOZJQZZQERZDLG-IXDOHACOSA-N 354.458 1.663 0 40 FDAB Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)CCCN)C3)c2n1 257200754 AETVPIJINNMMBY-FQEVSTJZSA-N 371.485 1.467 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)OC)c2C)C1 260504022 BTPUCXPYCNVPFC-ZDUSSCGKSA-N 368.455 1.782 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(-n3ccc(C)n3)cc2)C1 644034897 BHKCNFXDMBGHFA-LJQANCHMSA-N 356.426 1.284 0 40 FDAB Cc1ncn(CC(=O)Nc2ccccc2-c2ccc(=O)[nH]n2)c(=O)c1C 90614033 DYWHBSKVROHUFX-UHFFFAOYSA-N 351.366 1.249 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)c1C 681566100 HRSPVUYKOJSTGX-ZDUSSCGKSA-N 373.381 1.902 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c(C)o1 585098550 ZIHPEWFFBWTCNE-MRXNPFEDSA-N 358.442 1.840 0 40 FDAB CN(C)C(=O)[C@@]1(C)CN(C(=O)C2(Cc3ccccc3)CCOCC2)CCO1 585171877 QXLHFSZHQDOSCT-HXUWFJFHSA-N 374.481 1.732 0 40 FDAB Cn1nccc1[C@@H]1[C@@H](C(=O)NCCc2ccon2)CCC(=O)N1C1CC1 551905731 NMRKHYDQKAXYIN-YOEHRIQHSA-N 357.414 1.209 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1 1775973412 AUBNOEIEZWEJLC-UHFFFAOYSA-N 352.456 1.422 0 40 FDAB O=C(Cc1ccccc1F)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12258179 IRNWHFYSNLAHDX-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB O=C(NCc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc2c(c1)OCO2 19402956 ZEVGQEVVXWXIMM-UHFFFAOYSA-N 350.334 1.491 0 40 FDAB Cc1noc(C)c1CC(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1 19748664 GULVXIOTNODLHS-UHFFFAOYSA-N 359.401 1.790 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CN3CCC2CC3)ccc1C 601445329 BSURCXJBINBNKP-MRXNPFEDSA-N 352.456 1.496 0 40 FDAB O=C(COc1ccccc1)N1CC[C@H](NC2CCN([C@H]3CCOC3)CC2)C1 655763334 NMNYOEJMBRIANZ-OALUTQOASA-N 373.497 1.509 0 40 FDAB CC1(C)CCN(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)CC[S@@]1=O 593700920 VFOSZKWZOZPUEH-BVZFJXPGSA-N 366.483 1.972 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)nc(O)c1F 1888834781 ULIFXRVWZUTKNV-FRRDWIJNSA-N 350.394 1.093 0 40 FDAB COc1cc(OC)nc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 1888853213 TZWGRZQKISCJCP-UHFFFAOYSA-N 371.445 1.211 0 40 FDAB Cc1cc(C)n(CCN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)n1 1889090378 XEGSQCCBXCRMRD-UHFFFAOYSA-N 355.486 1.958 0 40 FDAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(Nc2ncccn2)C1 238880455 PCUMPCLOAYAMRM-UHFFFAOYSA-N 352.373 1.802 0 40 FDAB O=C(c1cccnc1O[C@@H]1CCOC1)N1CCN(Cc2ccccn2)CC1 244975115 ICFYFMPWCTXZFX-QGZVFWFLSA-N 368.437 1.602 0 40 FDAB CC(=O)NCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3896586 SAQBRWRMQXJDEJ-UHFFFAOYSA-N 362.455 1.048 0 40 FDAB COCCSc1nc(N)c(NC(=O)c2ccc(OC)cc2)c(=O)[nH]1 13544068 VYEYTJBRFXJBND-UHFFFAOYSA-N 350.400 1.352 0 40 FDAB COc1cc(C(=O)N2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)on1 2055751354 NGPFANJMMGTDST-IBGZPJMESA-N 372.425 1.858 0 40 FDAB CN(C)C(=O)COCc1nc2c(o1)CN(C(=O)/C=C/c1cccs1)C2 2055772986 GIZXBQQWNQRHRF-AATRIKPKSA-N 361.423 1.897 0 40 FDAB COc1cccc(CN2C[C@H]3OC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)c1 2055719453 HTOBPLVOZDVADZ-HSALFYBXSA-N 367.449 1.853 0 40 FDAB COCCN1c2ccccc2[C@@H]2CN(C(=O)Cn3ccccc3=O)CC[C@@H]21 2055750843 DJQGZSFHLCVBOH-HKUYNNGSSA-N 367.449 1.699 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccnn2C)C1 2055751272 CRIAJAFWAVTSBV-LJQANCHMSA-N 355.442 1.595 0 40 FDAB Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 225422158 CQGWWUBYBCCTEO-CQSZACIVSA-N 365.393 1.175 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(CC3(O)CCOCC3)CC2)n1 2298182790 OBSGFBOSPKGNEJ-UHFFFAOYSA-N 361.490 1.049 0 40 FDAB Brc1ccc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc1 52005147 XXWVXWPSLFKXHD-UHFFFAOYSA-N 360.219 1.837 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 247931502 CJXLSBLMLVFCIW-NBFIXFRYSA-N 365.364 1.771 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 40062255 UTWFUWNIFCOCNM-HIFRSBDPSA-N 364.467 1.702 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N(C)C 40121214 LECZFKCKMUQSRW-UKRRQHHQSA-N 361.442 1.283 0 40 FDAB O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCN1[C@@H]1CCS(=O)(=O)C1 40158599 UJSJAYYILVVSPY-SJORKVTESA-N 362.495 1.486 0 40 FDAB CCN(CC)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 30805660 TZBMVVJVYIRRRH-LBPRGKRZSA-N 350.415 1.934 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 100819205 QAJWGFBTDXAJQH-KOLCDFICSA-N 357.149 1.801 0 40 FDAB NC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CCC2 20573470 WWTRMGGOKAEGQP-UHFFFAOYSA-N 352.460 1.180 0 40 FDAB CCN1CCC[C@H]1CNc1c(N2CCN(c3ccccc3)CC2)c(=O)c1=O 101697529 BRCNCWLGRKPIJM-KRWDZBQOSA-N 368.481 1.505 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2cccs2)cc1 32843657 WESNXQWBGXSEPZ-UHFFFAOYSA-N 353.469 1.797 0 40 FDAB COc1ccc(-c2csc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@H]43)n2)cc1 32912359 PKYIGPKRBXVHFP-SMDDNHRTSA-N 364.448 1.969 0 40 FDAB CN(C)C(=O)c1ccc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 79095232 BNVOFKQMENMMDQ-MSOLQXFVSA-N 353.422 1.846 0 40 FDAB COCCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 22357453 DKWGJDRLYQQNAB-JTQLQIEISA-N 355.485 1.986 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1 41903656 BPWHHNHOLIWBNJ-LRDDRELGSA-N 360.476 1.327 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 3213655 MWTKQDOYXAXKAY-CQSZACIVSA-N 368.455 1.352 0 40 FDAB COc1cccc2c1OC(=O)[C@H]1[C@@H](C(=O)O)Sc3[nH]c(=O)sc3[C@@H]21 4042644 DYFKIRSJFMIWQT-RNSXUZJQSA-N 365.388 1.671 0 40 FDAB Nc1c(C(=O)CN2CCC[C@@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 53779966 ZVJKJKHTCFIQMU-LLVKDONJSA-N 360.439 1.535 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C1 22928644 XQNGIUOOUHAKQI-OAHLLOKOSA-N 353.440 1.647 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1 4506973 QXANJHUUMLDVRV-UHFFFAOYSA-N 363.414 1.210 0 40 FDAB C[C@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 4731174 XYPPDQHBNJURHU-ZYRLFZHTSA-N 356.503 1.855 0 40 FDAB biogenic COc1cc(OC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 6730186 POZZNRSKEPZBQL-OAACRXHESA-N 353.758 1.950 0 40 FDAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 6880480 KLAOMZGAJFWJKI-NSHDSACASA-N 361.423 1.783 0 40 FDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 12555308 NJODAMZIXACWSZ-UHFFFAOYSA-N 366.271 1.778 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1)NC1CC1 106455058 CTPIWPUCAQJXPK-UHFFFAOYSA-N 372.252 1.735 0 40 FDAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)C2CC2)CC1 12529533 QAWJHESKIZAFPL-FPYGCLRLSA-N 350.422 1.966 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C 108024328 ZQMBJTRCXHNAMX-UHFFFAOYSA-N 350.396 1.420 0 40 FDAB CCOC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1 34890490 WYHSNPJVJATDEQ-UHFFFAOYSA-N 362.430 1.726 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)[nH]n1 56179035 YBHDWPOCXJIEGH-UHFFFAOYSA-N 370.381 1.143 0 40 FDAB C=CC(=O)NCc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 57192170 MGZWTKKWFUKWGK-UHFFFAOYSA-N 364.449 1.842 0 40 FDAB CC(C)[C@H](C(=O)N[C@H](C)Cn1cccn1)N1C(=O)c2ccccc2C1=O 58201243 POEFUHUKGYXOQQ-CZUORRHYSA-N 354.410 1.709 0 40 FDAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 53516827 SSJPFUSXXSPHOE-UHFFFAOYSA-N 351.410 1.617 0 40 FDAB CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 20852394 VIWREAQDEKQTKH-UHFFFAOYSA-N 367.452 1.789 0 40 FDAB O=C(CN1CCC[C@H]1C(=O)NC1CC1)Nc1ccc(OC(F)F)cc1 45096674 HUJWVERMFRXSOB-AWEZNQCLSA-N 353.369 1.970 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1 45276618 GVIZSNWTTPDTAH-GJZGRUSLSA-N 360.410 1.138 0 40 FDAB NC(=O)CCn1c(SCc2nc(N)c3ccccc3n2)nnc1C1CC1 28910491 KBOMVVGJCUJCJF-UHFFFAOYSA-N 369.454 1.849 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NCc1cccc(Cl)c1 60386357 SWEURLWEYDMHOP-VIZOYTHASA-N 368.842 1.936 0 40 FDAB CCOC(=O)c1ccc(N2CCC(NC(=O)c3cnn(C)c3)CC2)nc1 48314650 RLFZJXLJCISGJJ-UHFFFAOYSA-N 357.414 1.391 0 40 FDAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CCSCC1 408977664 XOZZTKIEWTZQMB-UHFFFAOYSA-N 354.391 1.466 0 40 FDAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)NCc1cccs1 3596641 UTNBOKMHQSNOCT-HNNXBMFYSA-N 357.435 1.918 0 40 FDAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 4314215 PSPDDDDZRCEVFO-CYBMUJFWSA-N 359.430 1.293 0 40 FDAB O=C(Cn1cc(NC(=O)C2(c3ccccc3)CCOCC2)cn1)NC1CC1 65592169 GMAKJKYUKBUPFT-UHFFFAOYSA-N 368.437 1.849 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 14167345 IBDUCUYKEBYFKB-GOSISDBHSA-N 374.485 1.010 0 40 FDAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 14181414 CBOABKMIWQGVGC-MFKMUULPSA-N 351.407 1.577 0 40 FDAB CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 5644184 IHRHJOFDFNRSNA-UHFFFAOYSA-N 351.472 1.249 0 40 FDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408710105 OULMNGVLJQFBTH-UHFFFAOYSA-N 355.394 1.700 0 40 FDAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1Cc1ccccc1 4852159 UTRQLBFJSSGUPI-UHFFFAOYSA-N 351.366 1.567 0 40 FDAB CCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1 4937705 QXFJCBPXGNXZSR-UHFFFAOYSA-N 364.471 1.409 0 40 FDAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ccccn2)CC1 7074671 LILNKUXXCLAIDP-UHFFFAOYSA-N 357.458 1.806 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)[C@@H]1C 8346149 XJRRQFXQOMNVDG-GYSYKLTISA-N 364.398 1.905 0 40 FDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 72242334 KDIHMGVGRBIDEP-GXTWGEPZSA-N 372.498 1.512 0 40 FDAB Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1 84211200 AXVIMSSTXFRIPF-AWEZNQCLSA-N 355.394 1.345 0 40 FDAB COCC[C@H](NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)C(N)=O 95463331 ICUZODKVWQWQBH-HNNXBMFYSA-N 374.441 1.799 0 40 FDAB C[C@@H]1CN(CC(=O)NC2CCCCCC2)CCN1c1nccn2cnnc12 89939335 WNBFHDBJLYMLRT-OAHLLOKOSA-N 371.489 1.474 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 408709830 XPJJXGHOTYHXBD-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB CC(C)c1nnc2n(c1=O)CCC21CCN(C(=O)c2ccn(C)n2)CC1 306130627 JLLATMZXLGEOGG-UHFFFAOYSA-N 356.430 1.073 0 40 FDAB CCN(CC)CCN[C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 22791742 NITIRPZRAIGCCT-OAHLLOKOSA-N 367.446 1.417 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cnccn1)C2 306144213 YZHIOEWWMHIGHW-AWEZNQCLSA-N 371.416 1.626 0 40 FDAB CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc[nH]n1)C2 306142135 WQUBNPWCYSJNES-HNNXBMFYSA-N 355.442 1.558 0 40 FDAB COc1cccc([C@H](NC(=O)N2CCOCC2)c2nccn2C)c1OC 72346355 USDNPAAIFBGWFH-HNNXBMFYSA-N 360.414 1.569 0 40 FDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 46551029 XFFOYLNBYHXBNE-UHFFFAOYSA-N 354.472 1.982 0 40 FDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccnnc1 1583532031 YMQOHLPOKFGHGQ-UHFFFAOYSA-N 360.171 1.588 0 40 FDAB CCOC(=O)N1CCN(C(=O)C[C@H](CC(=O)O)c2cccs2)CC1 223125724 YZJVVSKQYIKVMT-GFCCVEGCSA-N 354.428 1.997 0 40 FDAB C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C1=CCN(C)CC1 332833004 GUFDLFQXUUJDHF-OWQGQXMQSA-N 359.474 1.096 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1cccnc1)C2 96230456 ZFVBQXQZKUTBGC-OAQYLSRUSA-N 364.449 1.921 0 40 FDAB Cc1cc(NC(=O)Cn2ccnc2C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 331492051 NBEAESBRTNOGTG-CYBMUJFWSA-N 365.459 1.510 0 40 FDAB CCS(=O)(=O)N1CCC[C@]2(CCN(Cc3cccc(C)n3)C2=O)C1 96224720 OQZDOBKTLIKHNX-KRWDZBQOSA-N 351.472 1.554 0 40 FDAB C[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1nnc2ccccc2c1=O 95472455 HAMZPLPLMKEADP-IQUTYRLHSA-N 356.426 1.506 0 40 FDAB O=C(Nc1nnc(Cc2ccccc2F)s1)N1CC(=O)N(C2CC2)C1 584879527 CBRNTXJHXSJFNG-UHFFFAOYSA-N 361.402 2.064 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247361711 FBJSMOXXCHLLIN-RKUHIEFHSA-N 368.389 1.803 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257327543 XBTULABZPFSGHX-LBPRGKRZSA-N 356.382 1.274 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)COC 252516162 QKADZLWLXDYNMR-MCIONIFRSA-N 362.289 1.941 0 40 FDAB CCn1nccc1-c1nccnc1C[C@H]1CCN(S(=O)(=O)N(C)C)C1 257300904 RWDUWMFDIABTNT-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB CCCn1ccc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)n1 257279283 OFXSHFQAMINEAO-IRXDYDNUSA-N 354.410 1.550 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257258577 KUQDOYURULKWRU-LJQANCHMSA-N 357.458 1.454 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(CC(C)C)C3)C2)cc1 604381633 IDQWAWCRRMMTOL-GOSISDBHSA-N 373.497 1.562 0 40 FDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C(=O)N3CCCC3)cc2)CC1 267478326 XDASGAISGWNPDN-HNNXBMFYSA-N 373.453 1.381 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C(C)C)cc1OC 260910408 YHZKPYRUABAQOS-GFCCVEGCSA-N 358.460 1.485 0 40 FDAB COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1 278900850 QZHAZOKWZGQBMB-UKRRQHHQSA-N 361.435 1.169 0 40 FDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cn1 600171857 SVHLSBPVJOPSRN-ZDUSSCGKSA-N 354.414 1.387 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1cnn(C)c1 96098367 GCHZVNZLRBKSAY-UHFFFAOYSA-N 370.456 1.069 0 40 FDAB Cc1nc(C)n(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)CCNCC3)n1 638496584 VGZDDDVUOOWFNB-IBGZPJMESA-N 353.470 1.888 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 647928705 SMOQKJZSMLFHHW-AWEZNQCLSA-N 363.819 1.603 0 40 FDAB CC(=O)Nc1nc([C@@H]2CCCCN2CC(=O)Nc2cc(C)on2)cs1 585271268 FFCIQGLQGUAQLJ-ZDUSSCGKSA-N 363.443 2.564 0 40 FDAB Cc1ncc(CN2CCC[C@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)s1 585099582 RDCJJRBFIUKCEE-SFHVURJKSA-N 358.467 1.779 0 40 FDAB Cn1ccc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)n1 585108293 TYXJLUCZOFMIHM-QXAKKESOSA-N 370.453 1.580 0 40 FDAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCC1CCOCC1 585095152 GAJPPVJTMBCARE-QGZVFWFLSA-N 360.458 1.499 0 40 FDAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 57604663 XKDWHERGEBIDNP-CYBMUJFWSA-N 368.437 1.671 0 40 FDAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3ccc(F)cc3)C[C@@H]12 1549161547 LWIWVWXHGNBVHO-MRXNPFEDSA-N 359.401 1.453 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N2CCCC2)CC1=O 14139255 NRAFQNZRPBRGHH-CABCVRRESA-N 374.437 1.911 0 40 FDAB COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N(C)C 16575552 XIXKXDSSJSKXLW-UHFFFAOYSA-N 358.460 1.490 0 40 FDAB O=C1NC[C@]2(CCCN(C(=O)COc3cccnc3)C2)Oc2ccccc21 19374765 BHPYGLCLXWKLTN-FQEVSTJZSA-N 367.405 1.644 0 40 FDAB O=C(O)CCCCCNC1=C(Cl)C(=O)N(CCCCCC(=O)O)C1=O 19703402 OXEVUIBAIQTMJE-UHFFFAOYSA-N 374.821 1.685 0 40 FDAB biogenic COc1cc(OC[C@@H]2COC(=O)O2)ccc1COC[C@H]1COC(=O)O1 627276195 BGJXLAVSNUYOBO-QWHCGFSZSA-N 354.311 1.661 0 40 FDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC(Oc3ccncc3)C1)CS2 1888869457 UOUHRCXPOIPCTD-CYBMUJFWSA-N 372.450 1.582 0 40 FDAB Cc1cc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nc(C2CC2)n1 1888901033 LXPSHWXVAJWVPO-UHFFFAOYSA-N 362.441 1.965 0 40 FDAB Cn1c(N2C[C@H]3CN(S(=O)(=O)c4cnc[nH]4)C[C@H]3C2)nc2ccccc21 1888908434 REKPPXOGTCTJJJ-BETUJISGSA-N 372.454 1.053 0 40 FDAB CCn1cnc2c(N3CCN(c4cc(C)nc5ccnn45)CC3)ncnc21 1888914267 RFUYWPIARWYVHL-UHFFFAOYSA-N 363.429 1.524 0 40 FDAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1cnn(-c2ccccc2)n1 239808079 KGLXMAPWUNMKOL-UHFFFAOYSA-N 360.381 1.388 0 40 FDAB CS(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 4553860 GGGFVJVBWPUKAU-ZDUSSCGKSA-N 363.457 1.951 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2[C@H]1C 8724568 ZGXARTNQLWAMCJ-ZDUSSCGKSA-N 366.425 1.640 0 40 FDAB CCc1nnc2ccc(OCCNC(=O)COc3ccc(OC)cc3)nn12 13843734 XQRBUZHDCUXQJV-UHFFFAOYSA-N 371.397 1.269 0 40 FDAB Cc1nc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cs1 2055781602 SGTAHWRXYKNXHG-UHFFFAOYSA-N 373.482 1.806 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccco1 38671227 MOYDLWUHYNJTPH-UHFFFAOYSA-N 352.387 1.608 0 40 FDAB COc1cc(OC)nc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298222285 IMZGDQVYMIMTFY-UHFFFAOYSA-N 356.386 1.584 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 4998603 WUKFWUAJNRGOFE-ZDUSSCGKSA-N 366.439 1.545 0 40 FDAB COC(=O)CCCCCNC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 15953886 VWMBGCSZQWYTOT-CABCVRRESA-N 361.442 1.710 0 40 FDAB biogenic O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCc1cccc(F)c1 40122818 OGYBAEQKGRWORI-UHFFFAOYSA-N 367.380 1.756 0 40 FDAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1F 40116901 IMXULABEHCBBGD-UHFFFAOYSA-N 368.364 1.983 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)c1C 30779867 VCKXLUHLHLDKMW-KRWDZBQOSA-N 365.499 1.376 0 40 FDAB C/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20330793 XFSDOWMPBLCMAH-FYWRMAATSA-N 353.382 1.420 0 40 FDAB C[C@@H](NC(=O)c1cccnc1)C(=O)NC1CCN(Cc2ccccc2)CC1 32092337 KUXYSAUXRWYCFE-MRXNPFEDSA-N 366.465 1.981 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102005641 WWDVLZKMJFIERE-DZKIICNBSA-N 351.472 1.604 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)no1 21592044 VAHWMIPKZWRUNF-GFCCVEGCSA-N 360.370 1.399 0 40 FDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 52966434 QIKZLDYZHUTPLZ-AWEZNQCLSA-N 357.385 1.934 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)on2)cc1 12029068 SMDUZWHHEDDIJQ-AWEZNQCLSA-N 365.411 1.783 0 40 FDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)N1CCCCC1 932476 JCNVJNDHJZBDRJ-UHFFFAOYSA-N 361.427 1.538 0 40 FDAB O=C(N[C@H]1CCN(CC2CCCC2)C1)[C@H]1CC(=O)N(c2ccccn2)C1 79097219 JOTNENZJJGYLEA-IRXDYDNUSA-N 356.470 1.815 0 40 FDAB C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 79049903 MRNVGBRHBRCKKM-RHSMWYFYSA-N 371.462 1.889 0 40 FDAB NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 3367073 GFDTYBWAOVEMPZ-UHFFFAOYSA-N 352.346 1.167 0 40 FDAB COCCCNC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O 4131619 KHHRFWYDSOYSIO-UHFFFAOYSA-N 363.483 1.542 0 40 FDAB COCCNC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(C)nn2C 12553572 WVQXULMXHHMNCE-UHFFFAOYSA-N 367.409 1.905 0 40 FDAB C[C@H]1CN(c2ccccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 55683266 UKNVYDNXTBAYPC-HZSPNIEDSA-N 352.456 1.673 0 40 FDAB O=C([C@H]1COCCO1)N1CCN(CCOc2ccc(Cl)cc2)CC1 48099617 FAVDTVBMTMUIKL-MRXNPFEDSA-N 354.834 1.278 0 40 FDAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 12608314 NXNPDIWLPPJMKD-UHFFFAOYSA-N 366.421 1.595 0 40 FDAB COCc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12 52855025 BLVCKLUOGSWMOD-UHFFFAOYSA-N 352.412 1.297 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 58181498 MPULWPDXUBLAMF-KBPBESRZSA-N 352.456 1.920 0 40 FDAB CCOC(=O)CCN(CC(=O)N1CCC(C(=O)OCC)CC1)C1CC1 58162329 YCMKTWCTKNBAKE-UHFFFAOYSA-N 354.447 1.206 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Cc3ccccc3O)CC2)C1 58244845 MCXPVBVMLBBWNL-CALCHBBNSA-N 373.497 1.583 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102592231 QCUPPTXXHCVMAC-UJARPBSLSA-N 352.390 1.687 0 40 FDAB Cc1ncsc1CN1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21 108531324 JXFGFRSMTVARLD-ZMSDIMECSA-N 365.499 1.584 0 40 FDAB Cc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c2c1 48342884 LMDUCKGPBKRIKM-UHFFFAOYSA-N 352.394 1.666 0 40 FDAB NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11292053 NEQLDXMLZAEHBW-UHFFFAOYSA-N 353.378 1.695 0 40 FDAB COCCCNC(=S)NC[C@@H](C)N1CCN(c2ccccc2)CC1 36847414 GIGIKFWVIZUUBI-MRXNPFEDSA-N 350.532 1.698 0 40 FDAB CCCCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(Cl)c1 29862714 LPEYLRWQORXUBV-UHFFFAOYSA-N 354.838 1.836 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1 8945517 CCLCPJNJUJOLCX-MNVSYLFESA-N 371.437 1.721 0 40 FDAB C[C@H]1CN(Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CCO1 63113150 VSZQTNACXYPPRT-KRWDZBQOSA-N 373.497 1.926 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC(Cc3ccccc3)CC2)C1=O 14117878 ULYKGRPHNULSPO-HXUWFJFHSA-N 372.469 1.693 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc2c(c1)OCO2 6552669 QDGBSIVHUPKCIV-UHFFFAOYSA-N 351.156 1.978 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 96006988 ALSUULAGVLGWPL-GDBMZVCRSA-N 357.454 1.803 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 14915480 QZTJICFPDRZOHI-NWDGAFQWSA-N 360.414 1.458 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)cc1 9376381 ZNTMKGDFXMBRLU-UHFFFAOYSA-N 372.410 1.730 0 40 FDAB COc1ccccc1-n1c(O)nc2nc(NC[C@H]3CCCO3)ncc2c1=O 67263853 CIPZUFNYTUQNMN-LLVKDONJSA-N 369.381 1.481 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9420921 MQSURSPJXOQMOC-SNVBAGLBSA-N 366.468 1.371 0 40 FDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cc(OC)c(O)c(OC)c1 96335782 BRQHJRQXAKBVSY-XJKSGUPXSA-N 362.334 1.737 0 40 FDAB C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)NCc1ccccc1 8735569 FRHOIELKKDCIMF-LLVKDONJSA-N 356.411 1.631 0 40 FDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC(=O)O)CC(C)C)cc1 95969874 UVICHCJGEIERFV-RMKNXTFCSA-N 354.428 1.177 0 40 FDAB C[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)CC(=O)O 95992065 GTBHHAJFQFXGPH-SECBINFHSA-N 367.203 1.870 0 40 FDAB C[C@H](C(N)=O)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 75107051 XYDPXQXZENCXOU-CYBMUJFWSA-N 352.442 1.023 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 24471602 XLHHMKYYWYOEBT-ZDUSSCGKSA-N 351.447 1.515 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c1C 22612206 WAHAZKFGEFCYLX-VXGBXAGGSA-N 351.447 1.647 0 40 FDAB O=C(c1cnccn1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 22956730 ASHWHFBKGXVVJG-ZDUSSCGKSA-N 365.393 1.535 0 40 FDAB Cc1c(-c2cc(C(F)(F)F)n3nc(CCC(=O)O)nc3n2)cnn1C 35655604 FYYPIAHNIVNUTH-UHFFFAOYSA-N 354.292 1.869 0 40 FDAB C[C@H]1CCCN(c2cc(C(=O)N3CCc4nc(N)ncc4C3)ccn2)C1 516902629 OXAXRKPEDYUWQD-ZDUSSCGKSA-N 352.442 1.889 0 40 FDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)O1 527545094 OTBVOVSMNFUOMM-PSASIEDQSA-N 359.308 1.859 0 40 FDAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN)C3)n2)n1 72360884 SJYAUINCSJITPN-AWEZNQCLSA-N 355.446 1.600 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCc3ccccc32)C1 44899742 REWQEJPMRLFINP-OAHLLOKOSA-N 351.472 1.484 0 40 FDAB CN1C(=O)c2ccc(NC(=O)C3(n4cnnn4)CCCCC3)cc2C1=O 72404305 GIMNXZIIORSUBX-UHFFFAOYSA-N 354.370 1.197 0 40 FDAB Cc1noc(C)c1CN1CC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 75876509 ATUOCUHMHUIQQM-MRXNPFEDSA-N 359.474 1.965 0 40 FDAB O=Cc1cnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 49468337 GZJVKQBWFMLEDO-UHFFFAOYSA-N 361.423 1.095 0 40 FDAB CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCC([C@H]2CCNC2)CC1 565362644 KAINNJJAAXIEKN-OALUTQOASA-N 366.527 1.895 0 40 FDAB O=C(c1ccc(Br)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225702180 ZQEMHQZDVOWDBA-LLVKDONJSA-N 353.172 1.642 0 40 FDAB CN(CCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 222419683 WFKVKBNHNZZBQL-UHFFFAOYSA-N 361.467 1.949 0 40 FDAB Cc1csc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)n1 44892621 QKEPRRYQISZYMA-UHFFFAOYSA-N 359.455 1.922 0 40 FDAB O=C1CC[C@@H](NC(=O)Cc2nsc3ccccc23)[C@@H]([C@H]2CCCO2)N1 573713107 KMVFEFZNQDYBOO-DFHBCGBQSA-N 359.451 1.781 0 40 FDAB Cn1cc(CN2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)cn1 96063138 FKMLPWIPCSGFHP-UHFFFAOYSA-N 355.442 1.209 0 40 FDAB CCS(=O)(=O)C1CCN(C(=O)NCc2nc3cccc(C)c3[nH]2)CC1 332248253 BCELBCSPZXTAAT-UHFFFAOYSA-N 364.471 1.980 0 40 FDAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1N1CC[C@H](CO)[C@@H](O)C1 579190938 RHOFGAWJOWWQTI-YGRLFVJLSA-N 366.364 1.869 0 40 FDAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC1CCN(CC(F)F)CC1 579645915 HTXGTQSURIHZRH-JSGCOSHPSA-N 353.479 1.414 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96345447 INHYIDYAYLIIHZ-ZDUSSCGKSA-N 366.425 1.583 0 40 FDAB CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F 585080426 OYBRZLUTDYHBJB-NSHDSACASA-N 366.361 1.921 0 40 FDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(CCNS(C)(=O)=O)C1 96208196 GBLNTQLNHZGVRM-CABCVRRESA-N 359.517 1.372 0 40 FDAB Cc1ncoc1C(=O)N1Cc2cncn2[C@@H](COCc2ccncc2)C1 248011058 GGUITYLRKVKZKI-MRXNPFEDSA-N 353.382 1.988 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1 257306262 STMXKSBIHYLNRQ-MRXNPFEDSA-N 354.476 1.441 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(C)c3)C2=O)cc1 24478727 MVLFKINHGRSZRS-IBGZPJMESA-N 369.425 1.154 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1 253601297 OQUZNRUQCVLQIK-HNNXBMFYSA-N 369.425 1.665 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382201 KNUFYDOYGUBQMM-NCXUSEDFSA-N 354.454 1.581 0 40 FDAB biogenic,in-vitro Cn1nccc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 262815176 QPFIBBYCPCMNRT-HNNXBMFYSA-N 356.382 1.752 0 40 FDAB CCN1CCO[C@@H](CNCc2cn3ccccc3n2)[C@@H]1c1nccn1C 1775959096 HLLYXRWHTNLDQL-FUHWJXTLSA-N 354.458 1.619 0 40 FDAB CCCOc1ccc(CNC(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)cn1 1615588683 CRBUUNPJDOFLOM-HUUCEWRRSA-N 358.446 1.240 0 40 FDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccc(C(C)=O)s2)C1 671504758 NCBGMGQZCLNPLY-STQMWFEESA-N 350.440 1.803 0 40 FDAB CC1CCC(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CC1 585110593 BUHMUCYBORIQNH-UHFFFAOYSA-N 360.502 1.926 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095960 VISIUKPOUNENOU-MRXNPFEDSA-N 370.409 1.730 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)C1 685942258 HHDNSFWJMCLHNJ-RCCFBDPRSA-N 354.454 1.517 0 40 FDAB CS(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775963731 AWJLDWJXWNNBHP-ZDUSSCGKSA-N 364.427 1.025 0 40 FDAB biogenic,in-vitro CC(C)[C@H](C(=O)NCCOc1cccc(F)c1)N1CCCS1(=O)=O 89791069 CPBQZXXABLKQMY-OAHLLOKOSA-N 358.435 1.381 0 40 FDAB Cn1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cn1 1549162949 XCOINHLXZFAVLT-SFHVURJKSA-N 367.453 1.311 0 40 FDAB CC[C@@H](Sc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1)C(=O)OC 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JYSMXXONLKROFF-HNNXBMFYSA-N 362.426 1.305 0 40 FDAB COc1ccc(CN2CCN(c3cc(C)nc4ncnn34)C[C@@H]2C)cn1 2086968372 FUOLCPPTCGKLER-AWEZNQCLSA-N 353.430 1.547 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccn2)C(=O)C1 1565523783 VXKBNIMVJWSUOQ-CYBMUJFWSA-N 369.377 1.453 0 40 FDAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCC1 17178597 DJSZJOUZBRHUFQ-SFHVURJKSA-N 359.470 1.625 0 40 FDAB CC(C)NC(=O)c1nnc2n1[C@@]1(CC2)CCN(C(=O)CCc2ccc[nH]2)C1 2055794301 CIJRQULFISHAHF-IBGZPJMESA-N 370.457 1.251 0 40 FDAB O=C(NCc1ccccc1)c1n[nH]c2c1C[C@@H](CNC(=O)C1(F)CC1)OC2 2055759295 JCFYMBZRPUUUDN-ZDUSSCGKSA-N 372.400 1.399 0 40 FDAB O=C([C@@H]1CCOC1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775976067 UXLXWRHKDPQZIO-OAHLLOKOSA-N 356.401 1.968 0 40 FDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCCc3c[nH]cn3)c(=O)c21 72335358 PJBXTIRBXZMTNS-UHFFFAOYSA-N 368.397 1.355 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNCc3ccccc3)c3nccnc23)C1 72391602 CURGOZDONJWGHF-KRWDZBQOSA-N 364.453 1.952 0 40 FDAB COCCn1nc(C(=O)NCCN2CCCc3ccccc32)ccc1=O 40135054 JTMPTUYGPIXZBW-UHFFFAOYSA-N 356.426 1.072 0 40 FDAB CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100463835 VNCOYFCXBWIVTA-FSZOTQKASA-N 360.439 1.581 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646784 VJRRGVUYOXJSEL-VKPHEEHNSA-N 357.362 1.569 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(CC)nn32)cc1 31815961 XJMVPLORHPFNIN-LBPRGKRZSA-N 357.370 1.539 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 20636306 NMUZXAYTSVXXJL-QMMMGPOBSA-N 360.226 1.803 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2OC)c2ccccc21 101443835 ZKERDKYLSXCNSQ-KRWDZBQOSA-N 367.405 1.535 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O 32674818 MMZFHNPSWQVZAD-UZLBHIALSA-N 370.453 1.098 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CN(CC2CCCCC2)C2CC2)CC1 52244774 QMZVJNDMDJFAJF-UHFFFAOYSA-N 357.520 1.135 0 40 FDAB O=c1c2ccccc2nnn1CSc1nnnn1Cc1cccs1 8541843 JDPYGKISFCCIRM-UHFFFAOYSA-N 357.424 1.638 0 40 FDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NC1CCCCC1 932422 DJRRMEXOGFBZIF-UHFFFAOYSA-N 361.427 1.932 0 40 FDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)OC3CCCCC3)c2)CCN1 23016998 WLKSXACJBGQOPX-UHFFFAOYSA-N 366.439 1.297 0 40 FDAB O=S(=O)(c1ccc(C2=CSC3=NCCCN23)cc1)N1CCOCC1 8389459 XDMLTIKMLBZUOF-UHFFFAOYSA-N 365.480 1.814 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(OC)cc1 9970114 TWBFTYFQACUXEJ-INIZCTEOSA-N 364.442 1.796 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1=O 43282326 VJBYFRDKVCZCBC-DZGCQCFKSA-N 370.409 1.815 0 40 FDAB CCCN1CCN(CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CC1 102845108 MURHACRHKGGHOW-HZPDHXFCSA-N 353.894 1.922 0 40 FDAB CN(CCCNC(=O)CN1CCC(C(=O)NC2CC2)CC1)c1ccccc1 55914526 BPWLTIHKHAPABB-UHFFFAOYSA-N 372.513 1.620 0 40 FDAB Cc1sc2ncnc(NNC(=S)NCCN3CCOCC3)c2c1C 25424979 XZURZMBAPMKTEN-UHFFFAOYSA-N 366.516 1.431 0 40 FDAB O=C(CN1CSCC1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25665381 WIZRLMOZECJAKM-UHFFFAOYSA-N 374.388 1.282 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 35334080 BVCCXWSTKXQTFI-UHFFFAOYSA-N 369.469 1.749 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c2cnn(C)c2n1 95458942 GRKDDCYMKNDYGF-INIZCTEOSA-N 368.441 1.841 0 40 FDAB CCCn1c(N2CCN(C(=O)C(C)C)CC2)nc2c(C)nn(C)c2c1=O 28557122 WQAJZHSNUTYJQE-UHFFFAOYSA-N 360.462 1.153 0 40 FDAB CCC(C)(C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 27943258 VMQLLVMPNDWVJN-UHFFFAOYSA-N 351.428 1.386 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128031 XDCQXSSPOXQACO-YLFCFFPRSA-N 360.502 1.929 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Cl)ccc2n1 12866689 VOPZBGLZGGHJEO-INIZCTEOSA-N 368.824 1.760 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 11413310 GJKPIRFMDJDQLW-ZDUSSCGKSA-N 371.386 1.473 0 40 FDAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc2c(c1)OCO2 13548597 WXNQEXHYGIPCHF-UHFFFAOYSA-N 351.251 1.236 0 40 FDAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc[n+]([O-])cc1 71052788 SOHYIYLHJKAZLF-AWEZNQCLSA-N 365.311 1.874 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCC(F)(F)F)c1C 6561617 FBDRKCXMKPYXCG-UHFFFAOYSA-N 350.293 1.644 0 40 FDAB COc1cc(NC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC 14473142 XEPAWAANHQRFGG-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3o2)c(=O)n(C)c1=O 5628856 NWRORDJEVJEZMZ-UHFFFAOYSA-N 374.422 1.655 0 40 FDAB COC(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 71768172 VCCZWFOGTCDYCZ-UHFFFAOYSA-N 373.453 1.419 0 40 FDAB Cc1ccc2nc(CSc3nnnn3C[C@H]3CCCO3)cc(=O)n2c1 9378053 RGZLSAXYKJDWNS-CYBMUJFWSA-N 358.427 1.461 0 40 FDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 8325245 HQHSDSXGRIIBJD-CYBMUJFWSA-N 355.460 1.416 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)N2CCCCC2)c1 8405636 BMYKRBPGLUOHTG-UHFFFAOYSA-N 353.488 1.589 0 40 FDAB CC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 17300404 GGEWXBXOZKGWKV-INIZCTEOSA-N 370.471 1.675 0 40 FDAB COc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1OC 9531090 MEROGMGLCFSERA-UHFFFAOYSA-N 359.411 1.858 0 40 FDAB O=C(c1c(F)cc(Br)cc1F)N1CCS(=O)(=O)CC1 94715900 BCIFMGCVNMQJHJ-UHFFFAOYSA-N 354.172 1.598 0 40 FDAB COCCCn1ccc(NC(=O)C(=O)NC[C@@H](C)c2cccs2)n1 75105805 LZWGMCYRKSXUHB-GFCCVEGCSA-N 350.444 1.840 0 40 FDAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1S(=O)(=O)NC(C)C 408701194 TXCVKOSQOYNCIA-GFCCVEGCSA-N 358.460 1.537 0 40 FDAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)CCc1c(C)noc1Cl)C2 1551409649 MGTGEEASTQCCBS-BDJLRTHQSA-N 355.822 1.180 0 40 FDAB CC(C)C[C@@H](CNC(=O)[C@H](C)Sc1nncs1)N1CCOCC1 42767696 KERPORUVOSBIEJ-STQMWFEESA-N 358.533 1.882 0 40 FDAB CC(C)C[C@@H](CNC(=O)[C@@H](C)Sc1nncs1)N1CCOCC1 42767690 KERPORUVOSBIEJ-OLZOCXBDSA-N 358.533 1.882 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 71282364 WJRQKUIGLOYRLP-ILXRZTDVSA-N 360.483 1.125 0 40 FDAB Cc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)CC2)n1 79502233 GFMLNQSCMFKANX-AWEZNQCLSA-N 371.445 1.918 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Cl)c1F 45896218 PYZVHEJGOSKXEN-ZDUSSCGKSA-N 367.768 1.944 0 40 FDAB Cc1n[nH]c(C)c1NC(=O)CN1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 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Cc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1NS(C)(=O)=O 29289031 ROBOZZVIEUELFZ-UHFFFAOYSA-N 372.410 1.595 0 40 FDAB Cc1nc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cs1 53931164 XQCXIVUHBDQJJN-UHFFFAOYSA-N 357.432 1.575 0 40 FDAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 37198733 JHBLMHZZTKWMNI-KDOFPFPSSA-N 360.479 1.963 0 40 FDAB O=C(CCCNC(=O)c1ccc(F)cc1)Nc1cccc(-n2cnnn2)c1 55981280 RLFTUHQPURNINO-UHFFFAOYSA-N 368.372 1.950 0 40 FDAB CC(C)[C@@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCC1 97102294 QQWWNMAIRZOINK-CYBMUJFWSA-N 350.448 1.885 0 40 FDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cnccn3)CC1)O2 12227032 YNHPQGOOQIJONM-UHFFFAOYSA-N 368.393 1.282 0 40 FDAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1 13267569 FOKPKNXGENZHIJ-OAHLLOKOSA-N 363.421 1.936 0 40 FDAB CCCN(C[C@H]1CCCO1)C(=O)c1cnc(N2CCOCC2)nc1CC 19502477 HAOVFSMYIXPNIA-OAHLLOKOSA-N 362.474 1.907 0 40 FDAB CCn1ncc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)c1C 19523938 FWOGZQAQINAYDT-GFCCVEGCSA-N 369.516 1.846 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19578693 ZKMVVTYHDNTCNZ-CQSZACIVSA-N 355.442 1.478 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 19698174 GQLQUNOKPAFQEG-LJQANCHMSA-N 366.469 1.909 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC2)C1=O 19718162 WXHIVSVUNAVTBU-UHFFFAOYSA-N 372.356 1.637 0 40 FDAB O=C(Cn1cnc2c(c1=O)COCC2)NCc1ccc(OC(F)F)cc1 647166723 BBKBRMGMBYPRTE-UHFFFAOYSA-N 365.336 1.234 0 40 FDAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3nnc([C@H]4CCOC4)o3)C2)nc1 1888866792 QSKSBHDRELXKLN-LSDHHAIUSA-N 358.446 1.773 0 40 FDAB O=C(Nc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888921822 TVKHBYUXJZWWSL-STQMWFEESA-N 367.388 1.864 0 40 FDAB c1cnn(-c2ccc(N3CCN(c4ncnc5c4CCCC5)CC3)nn2)c1 1889149309 MSDOAMKKIPINBN-UHFFFAOYSA-N 362.441 1.658 0 40 FDAB CCOC(=O)N1CCC(N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985886 ZQTLRNZYPDWJJJ-LJQANCHMSA-N 367.490 1.567 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H]3c4nc(N5CCCC5)ncc4C[C@H]3C2)n[nH]1 1565554695 XIRWCRPPJNBAFP-UONOGXRCSA-N 366.425 1.414 0 40 FDAB O=C(NCC(=O)N1CC(n2cc(C3CC3)nn2)C1)OCc1ccccc1 585149145 GTNAUHBHTQDOKD-UHFFFAOYSA-N 355.398 1.465 0 40 FDAB CN1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(N)=O)C1 4088587 IOEWCPBBEIVYSM-CYBMUJFWSA-N 373.434 1.613 0 40 FDAB CCOC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 36666260 MOKVTYWMWOTKCH-AWEZNQCLSA-N 368.455 1.136 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)n(C(C)C)n1 2332241482 YGFKMTFCLFLELO-NWANDNLSSA-N 374.445 1.222 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1 40013239 YMOJXPMQFUPLLG-JSGCOSHPSA-N 351.403 1.200 0 40 FDAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)nc1 40160664 BKEFZRIPVQEXHF-AWEZNQCLSA-N 368.503 1.591 0 40 FDAB CCCn1nnnc1CN1CCC(C(=O)NCCc2ccccc2F)CC1 40120648 VTVCYFQBUZSOQV-UHFFFAOYSA-N 374.464 1.793 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 32469521 LGPIJFRTTNQWHS-LBPRGKRZSA-N 359.469 1.280 0 40 FDAB C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(-n2ccnc2)cc1 32739269 DZYFUYUIGYRSKZ-AWEZNQCLSA-N 369.425 1.724 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC1CCCCCC1 102770455 BFSJUKQTWLTOME-LUVWLHFXSA-N 374.437 1.176 0 40 FDAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)NC(C)(C)C 18755674 WJHPOHOUMKMLNK-GFCCVEGCSA-N 350.415 1.978 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(Cl)cc1 784753 ZWTDRTNLJKBYAO-OWYFMNJBSA-N 371.817 1.461 0 40 FDAB COC(=O)c1ccc(NC(=O)CSC(=S)N2CCOCC2)cc1 1081979 CURLAYCRPPEGJG-UHFFFAOYSA-N 354.453 1.762 0 40 FDAB Cc1ccc(C(=O)N[C@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1 22191075 XJVOEJXZHBHENG-KRWDZBQOSA-N 355.442 1.604 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 79615519 ZYWTWBOPBWRCSY-QGZVFWFLSA-N 362.449 1.883 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3548709 HAUWWDLAEHDEEI-UHFFFAOYSA-N 367.365 1.144 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 3984050 MFYSYFVPBJMHGN-MYMZKXAHSA-N 360.450 1.990 0 40 FDAB biogenic,in-vitro COCCCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 6326673 LHXYGYQBQNUTKV-UHFFFAOYSA-N 356.488 1.706 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)cc1C 23350385 MKKFSRRMFOAPMU-UHFFFAOYSA-N 359.455 1.988 0 40 FDAB O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23642146 BRRVRLFQRUEIIA-UHFFFAOYSA-N 352.316 1.751 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 59875459 FWZRFFOFQSIHEG-NSHDSACASA-N 363.361 1.428 0 40 FDAB CO[C@H]1C[C@H]2C[C@H]1[C@@H]1C3=C(N[C@@H]21)[C@@]1(O)C[C@@H]2CN(CC3)[C@@H]1C[C@@H]2[C@@H](C)CO 104097569 BPHRVANFPNGAEB-FSZYNBKISA-N 374.525 1.357 0 40 FDAB Cc1cc(C)n2ncc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c2n1 24467316 SWLQQWIMMJOAKZ-UHFFFAOYSA-N 367.409 1.974 0 40 FDAB Cc1cccc(C)c1NC(=O)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1N 102983067 RPHKOCZBRJWBHH-AWEZNQCLSA-N 350.378 1.746 0 40 FDAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)C2)c1 109056356 KOTORBQVKWAPJR-OAHLLOKOSA-N 368.441 1.551 0 40 FDAB CCOC(=O)CN(C)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C 58018032 WNGKCEMVDIEREX-MRXNPFEDSA-N 350.415 1.471 0 40 FDAB CCCc1nc(CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)no1 58201634 HEPUAXRHQIUIKG-SFHVURJKSA-N 372.381 1.804 0 40 FDAB C[C@@H](Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)C(=O)NC(N)=O 28364800 UXXXCMLQGAQONR-SNVBAGLBSA-N 370.365 1.663 0 40 FDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 26770490 QJBWUXTXFHTQTK-LBPRGKRZSA-N 351.877 1.846 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2Cl)CC1 29700080 QNQROBQNIKFPCF-UHFFFAOYSA-N 359.879 1.035 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(=O)NC3CCCC3)C2=O)cc1 3461286 NOPGTDHXXBYROE-IBGZPJMESA-N 372.425 1.530 0 40 FDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3538311 GXOWLYUORCNNQY-UHFFFAOYSA-N 366.439 1.091 0 40 FDAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccsc2)c(=O)[nH]c1=O 12972195 XCRPUWPJOSRJNU-UHFFFAOYSA-N 366.443 1.274 0 40 FDAB C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1ccnc1 6084794 GTYXYTOSPFYGRQ-OAHLLOKOSA-N 362.455 1.367 0 40 FDAB CCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1 14122527 HQHVFZFOZIRSQM-UHFFFAOYSA-N 358.442 1.794 0 40 FDAB O=C(NN1C[C@H](C(=O)OCC(=O)c2cccs2)CC1=O)c1ccccc1 4555497 SKDBQYJUQBZLBC-CYBMUJFWSA-N 372.402 1.668 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](CCOCC(=O)N(C)C)C1 306135027 OFGOHGBCKUJTQM-MRXNPFEDSA-N 361.446 1.540 0 40 FDAB O=S1(=O)N=C(NCc2ccccc2N2CCOCC2)c2ccccc21 65983018 LFUBMODAIKWIIE-UHFFFAOYSA-N 357.435 1.762 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1 4704276 ZOAOQKGMVCBZEN-UHFFFAOYSA-N 372.400 1.525 0 40 FDAB CCCN(C(=O)CSc1nnc(C)n1C1CC1)[C@H]1CCS(=O)(=O)C1 6879116 OMBLAEUCDATPPW-ZDUSSCGKSA-N 372.516 1.439 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4938125 CMNWSYIKJDDXSX-UHFFFAOYSA-N 373.390 1.428 0 40 FDAB CC[C@H](C)n1c(SCC(=O)N2CCOCC2)nc2cc(C)[nH]c2c1=O 67239280 XYPGFOUPPIPBGG-LBPRGKRZSA-N 364.471 1.955 0 40 FDAB Cc1ccc(-n2c(SCC(=O)NC(N)=O)nnc2N2CCCCC2)cc1 7104729 FLDKAWGSLTVTEK-UHFFFAOYSA-N 374.470 1.853 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(c2ncccc2F)CC1 90457640 JRESCDFQOVLQSC-UHFFFAOYSA-N 367.388 1.088 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)cnc3ccccc32)cc1 7718681 FKWDPORPTVVSPY-UHFFFAOYSA-N 364.405 1.802 0 40 FDAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]n2)cc1OCC 8294745 SXWHGOPDWXZIGS-UHFFFAOYSA-N 374.397 1.278 0 40 FDAB C[C@H](C(=O)N[C@H]1CCN2CCCC[C@H]12)S(=O)(=O)c1ccc(F)cc1 69415923 ZYMMAPDCLMIDNN-UHOFOFEASA-N 354.447 1.731 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(C(=O)NC2CC2)c1 8402899 LQBXQPIWKSTOOL-UHFFFAOYSA-N 368.418 1.989 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1COc2ccccc2O1 18100220 HCUVDHIMABIFAI-MRXNPFEDSA-N 351.362 1.722 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 18124387 RNXZGLPSGGDDIL-UHFFFAOYSA-N 373.438 1.346 0 40 FDAB C[C@H](OC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)Nc1ccc(C(N)=O)cc1 95454607 JCVNKNUBQBFKOG-BBATYDOGSA-N 361.398 1.105 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999142 KQKNMCUFDCENJO-CQSZACIVSA-N 360.439 1.407 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 95946545 AFIJFWGAEBYCCA-LBPRGKRZSA-N 369.468 1.382 0 40 FDAB OCCc1ccc(N2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)cc1 26781204 XVCFDSSRFDPNBB-FQEVSTJZSA-N 374.456 1.922 0 40 FDAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1S(=O)(=O)N1CCCC1 408698111 NRZZPMOLQHEJDI-ZDUSSCGKSA-N 370.471 1.635 0 40 FDAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3cc[nH]n3)nc2)CC1 72374440 BROICGIKVGYCOL-QGZVFWFLSA-N 368.441 1.170 0 40 FDAB O[C@@H](COc1cccc(OC[C@H](O)CN2CCCC2)c1)CN1CCCC1 4819631 SQCSTOYDADLFGE-QZTJIDSGSA-N 364.486 1.358 0 40 FDAB O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1F 37866307 KSPLJAWPUSEYLC-SFQUDFHCSA-N 355.369 1.850 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(-n2cccc2)cc1 675008022 NRONEQYJSCTFSY-MRXNPFEDSA-N 373.420 1.924 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 72341519 KTXUVUOEMDYKDY-FRRDWIJNSA-N 355.442 1.746 0 40 FDAB Cc1ccn2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)c2n1 75686360 MKKCILPQDZXVMQ-UHFFFAOYSA-N 351.414 1.437 0 40 FDAB O=C(Nc1ccc2cc[nH]c2c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 71287644 CLBOJRHCVKFDII-CYBMUJFWSA-N 374.422 1.272 0 40 FDAB COCc1cccc(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 45406670 ABKWOWTZEADDOT-UHFFFAOYSA-N 355.460 1.056 0 40 FDAB C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccccc3C(N)=O)cc2NC1=O 227168631 LDZXYJVSQVJTTO-SECBINFHSA-N 361.379 1.306 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225401711 ZCSLCKYQXPZPRR-CQSZACIVSA-N 366.425 1.792 0 40 FDAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1c1ncccn1 96208570 SFGPGFCKQUXQJS-AWEZNQCLSA-N 356.430 1.393 0 40 FDAB O=C(COC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1 96111168 KWRCXZMGPXIIOH-QUCCMNQESA-N 359.470 1.702 0 40 FDAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@@H]21)c1ccccc1 245482519 PDLFGKWSELGRED-ATZDWAIDSA-N 373.478 1.507 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N[C@@]3(CO)COc4ccccc4C3)ccc21 529820449 PSASFRCDSRXJEZ-NRFANRHFSA-N 366.417 1.692 0 40 FDAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257265427 LYPMUBPSRHDFTR-ROUUACIJSA-N 361.417 1.605 0 40 FDAB CCN(CC)S(=O)(=O)N1CCO[C@@H](CCc2ccnc(NC)c2)C1 257258826 KVSIKUNEVSOHHE-HNNXBMFYSA-N 356.492 1.343 0 40 FDAB O=C(CCCc1ccncc1)NC[C@]1(O)CCCN(c2ccccn2)C1 257243870 IIXQRZCFBUSYTN-HXUWFJFHSA-N 354.454 1.947 0 40 FDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257325319 WSLLJNUOCWVVBM-HNNXBMFYSA-N 352.398 1.404 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 252514103 BGOVWFCZECJKAB-WOSRLPQWSA-N 358.435 1.558 0 40 FDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)COc2cccnc2)n1 257299429 RQAQOABOGNIKAN-KRWDZBQOSA-N 355.442 1.984 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 250714076 ZPAVNLDTZBCRBP-JSGCOSHPSA-N 374.393 1.322 0 40 FDAB Cc1cc(Nc2cc(C[C@@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257206816 BEZFUNUCDCJPHD-ZDUSSCGKSA-N 364.475 1.774 0 40 FDAB CCCn1cc(-c2nccnc2C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257299714 RRFDJUDIIYUKMN-AWEZNQCLSA-N 363.487 1.964 0 40 FDAB O=C(O)[C@H]1CC(=O)N(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 650774352 UCVBDGSDKLQFDR-VIFPVBQESA-N 358.320 1.397 0 40 FDAB O=C(c1c[nH]nc1[C@@H]1CCCCN1)N1CCN(c2ccccc2)C(=O)C1 685941652 FPQRQBQYBUDEPL-INIZCTEOSA-N 353.426 1.713 0 40 FDAB CO[C@H](C(=O)N1CC[C@@]2(NC(=O)Cc3cn(C)nc3C)CCC[C@H]12)C1CC1 1775992686 UODDDKUZJYQNOK-QRFRQXIXSA-N 374.485 1.336 0 40 FDAB Brc1cnc(OC[C@H]2CCCN(Cc3nnco3)C2)nc1 1775995433 VQTVWQVTJTXODN-JTQLQIEISA-N 354.208 1.913 0 40 FDAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 96103256 QETKQLJLDPYWHX-CQSZACIVSA-N 374.418 1.926 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109432 OVWFVGYWLIWSPH-KZNAEPCWSA-N 358.438 1.459 0 40 FDAB Cc1ccn(CCNC(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)n1 585281296 VQYZHNUSOZVJAT-QRVBRYPASA-N 356.470 1.579 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)Cn2cc(C)cn2)[C@@H]1Cc1ccccc1 585281073 SIZGNXZZHJCICE-OALUTQOASA-N 354.454 1.930 0 40 FDAB COCCN1C(=O)CN(C2CCN(C(=O)Nc3cccs3)CC2)C1=O 824411979 XIZCRULDFFZOQB-UHFFFAOYSA-N 366.443 1.655 0 40 FDAB CN(C)c1cccc(C(=O)N2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c1 12113747 FJJQPRDEROMSMQ-UHFFFAOYSA-N 367.453 1.635 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 13031996 UBOKTTMKVJUYSR-UBHSHLNASA-N 353.396 1.791 0 40 FDAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCOCC1 13266781 YZDAJBUHHALETF-UHFFFAOYSA-N 358.423 1.167 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 15563149 OBPFIAKYPIEXSR-UHFFFAOYSA-N 372.425 1.892 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCCO3)ncc2C1 19018476 MDRHMJYRHMDLAA-SJORKVTESA-N 358.442 1.614 0 40 FDAB COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cnn(C)c2)CC1 19290642 MXIPKDLLCXCXRM-FQEVSTJZSA-N 371.485 1.921 0 40 FDAB COc1ccc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cc1 19555665 OWNRUUMOHZRUON-UHFFFAOYSA-N 370.453 1.628 0 40 FDAB Cc1nc2cc(C3CCOCC3)nn2c(N2CCC(C(N)=O)CC2)c1C 19555678 NEBZWWGBGHACIM-UHFFFAOYSA-N 357.458 1.942 0 40 FDAB Cc1c(CN2CCO[C@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C 19745618 HCJPLRDSYASXSV-IBGZPJMESA-N 354.454 1.514 0 40 FDAB COc1ccc([C@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1OC 19819881 HUTLADRINVEAGQ-SNVBAGLBSA-N 366.377 1.830 0 40 FDAB C[C@H](NC(=O)/C=C/c1ccco1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 2522506 IALVRPKNGOHYGE-AULVFQMTSA-N 355.394 1.010 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccn4C)CC3)CC2=O)cc1 11027472 NGBQZHBYGKTRHN-MRXNPFEDSA-N 367.453 1.430 0 40 FDAB CCCCn1c(S[C@H](C)C(N)=O)nc2cc(S(N)(=O)=O)ccc21 5984307 BGDHJPQKSFBKFL-SECBINFHSA-N 356.473 1.450 0 40 FDAB O=C(COC(=O)c1cc(Br)ccc1O)NC[C@@H]1CCCO1 6643740 VTFJJTSLSFYGPB-JTQLQIEISA-N 358.188 1.607 0 40 FDAB O=C1C[C@H](Cn2cc(C(=O)N3CCCCC3)nn2)CN1Cc1ccccc1 1888879675 SCLVQZDGZWTEIS-KRWDZBQOSA-N 367.453 1.953 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cc1 1888913874 DXLMDNFHUJPPGV-GASCZTMLSA-N 364.409 1.341 0 40 FDAB COc1ccc2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)sc2c1 1889139412 LTCKXIBIQMXGAM-CQSZACIVSA-N 363.439 1.369 0 40 FDAB Cc1nc(N2CCN(c3ccn4nccc4n3)CC2)cc(-n2cccn2)n1 1889205709 WAOHZDYNRDCXQO-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 14235854 BSEFTHWJFUNAAN-LIRRHRJNSA-N 360.410 1.740 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cn1 2037984580 GDZWYBFCDCCPIE-WBVHZDCISA-N 354.410 1.314 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037984998 UQVHCWPOYDAJNX-APWZRJJASA-N 365.433 1.905 0 40 FDAB Cc1ncnc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1C 1565555358 YHLLCSIGESBVQM-UHFFFAOYSA-N 359.455 1.493 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542960 NEYUUVVBVDBAAS-IYWGDAJJSA-N 372.465 1.888 0 40 FDAB CSc1cccc(C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)c1 1565519765 ZVSCTJPXKPAGLX-UHFFFAOYSA-N 360.439 1.170 0 40 FDAB O=C(NCc1ccccc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315104 KGBGMDSNZLCBNQ-UHFFFAOYSA-N 373.434 1.481 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C)c1C 9827336 HREOXTAEKBEYAE-UHFFFAOYSA-N 362.455 1.469 0 40 FDAB CCN1c2ccccc2-c2nc(SCC(N)=O)ncc2S1(=O)=O 15731777 XNIDKJUQMWLVAL-UHFFFAOYSA-N 350.425 1.250 0 40 FDAB Cn1cc(CN[C@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)cn1 2055739048 JJOIUPFAKMYQLU-ZDUSSCGKSA-N 355.398 1.578 0 40 FDAB COCCN1CCOC[C@]2(C1)CN(C(=O)CC1=CCCCC1)CCO2 2055815396 GMJGTJXYNWQYGR-IBGZPJMESA-N 352.475 1.453 0 40 FDAB Cc1nnc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)s1 23137043 NQVAZZGVCPLXMV-VIFPVBQESA-N 367.456 1.144 0 40 FDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)COc2ccccc2F)c1=O 38486397 SEOXNCRPXOUXJU-UHFFFAOYSA-N 373.384 1.778 0 40 FDAB O=C(CN1CC(c2nc(-c3cnccn3)no2)C1)NCCc1ccccc1 49485775 KSBYUWOTMPJVJQ-UHFFFAOYSA-N 364.409 1.285 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccco3)o2)CC1 585147807 GSQZJQWZCDLDKU-UHFFFAOYSA-N 352.412 1.827 0 40 FDAB O=c1ccc(C2CC2)nn1CC1CN(c2ncc(Br)cn2)C1 585603518 YHYNJTHCAYQMPK-UHFFFAOYSA-N 362.231 1.810 0 40 FDAB COC(=O)C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccs1 40040579 ATPSMOBKVUKWKU-LBPRGKRZSA-N 373.434 1.822 0 40 FDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)C1=O 40024185 BSDYMKCUTWZYKZ-UHFFFAOYSA-N 359.304 1.897 0 40 FDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(N)=O 21593955 VBFYRNZIXRWMFF-SNVBAGLBSA-N 368.436 1.257 0 40 FDAB NC(=O)Nc1ccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 32899154 SWVZDUFEUDYKLY-UHFFFAOYSA-N 366.377 1.480 0 40 FDAB CCn1c(CCC(N)=O)nn(CN2CCN(c3ccccc3)CC2)c1=S 52569217 INJWJJMHYYUJQA-UHFFFAOYSA-N 374.514 1.632 0 40 FDAB COc1ccc(Br)cc1[C@H]1C(C(N)=O)=C(C)N=C2N=NNN21 936944 DFSNUSSLXFTYKY-NSHDSACASA-N 365.191 1.815 0 40 FDAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 1941416 IKDGJSOTMKGZAQ-UHFFFAOYSA-N 370.336 1.994 0 40 FDAB COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](C(N)=O)[C@@H]2CO)ccc1O 4769477 KNODYRWGQKZVLY-CKFHNAJUSA-N 373.405 1.513 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[C@@H]1CCCc2ccccc21 7991194 UDICIPZKIVPQEI-KZYWPTACSA-N 350.418 1.987 0 40 FDAB Cc1cccc(OCCN(C)C(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 24215777 SPZHYUKGTZYSOS-UHFFFAOYSA-N 361.442 1.943 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CCCO2)c1C 1105094 GIMJXHSIIUHBDI-OAHLLOKOSA-N 354.472 1.494 0 40 FDAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(C)=O)cc3)nn12 9140547 BXQMEOXOSCLWDW-UHFFFAOYSA-N 360.468 1.926 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1S(N)(=O)=O 9338402 HVADKLCMKNUZFH-UHFFFAOYSA-N 370.408 1.141 0 40 FDAB O=C(c1ccccc1F)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1461768 UZVKEUAPUQUJQL-UHFFFAOYSA-N 373.409 1.733 0 40 FDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cn3)cc2C1=O 12545721 YKMDKSWOHBTZPE-UHFFFAOYSA-N 366.377 1.396 0 40 FDAB O=C1CN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CCN1 57315448 KLHHJJYIBWNFDX-UHFFFAOYSA-N 352.369 1.457 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2n[nH]c(C)c2C)c1 72285740 LFRKVNOLPRZMNG-UHFFFAOYSA-N 350.444 1.352 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 48288767 KAVSKIOWPBOKED-NSHDSACASA-N 373.862 1.467 0 40 FDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102201813 OYSONYPLTCCTHY-CHUNWDLHSA-N 358.394 1.264 0 40 FDAB O=C(NCCCNC(=O)c1cccc(O)c1)NCc1ccc2c(c1)OCO2 58245626 NFLIIWAUWBJHQW-UHFFFAOYSA-N 371.393 1.740 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ccccc2Br)cc1C(N)=O 28195716 WYVVGELFJYAIRK-UHFFFAOYSA-N 358.217 1.687 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1 10794764 LLGUXKIHZMSFKU-UHFFFAOYSA-N 359.403 1.862 0 40 FDAB CCN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(OC)c(F)c1 28726963 DBJXLZWTKIBXBT-CQSZACIVSA-N 372.462 1.302 0 40 FDAB COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)ccc1OC 45882692 ZYUQRVYMKANUGQ-CQSZACIVSA-N 362.426 1.603 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 12800803 FPUSXDRFDAETLD-JTQLQIEISA-N 353.448 1.290 0 40 FDAB O=C(CCC(=O)c1ccc(Br)cc1)N[C@@H]1CCS(=O)(=O)C1 13018722 HLSGMSDFMLKQIA-GFCCVEGCSA-N 374.256 1.715 0 40 FDAB Cn1ccn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13070355 XOJOWKOCTWRAAU-UHFFFAOYSA-N 352.485 1.520 0 40 FDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 13262573 JPLPWXZZIBXYJJ-UHFFFAOYSA-N 356.400 1.139 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 71285671 VYHSZPSSKHJBCX-STQMWFEESA-N 352.412 1.522 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)NCc1ccccc1)C(=O)O 71279519 GIHXWYZPKSFGGW-QGZVFWFLSA-N 372.469 1.876 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 9156478 SVTFNRXBARZYGV-UHFFFAOYSA-N 357.395 1.621 0 40 FDAB NC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc2c1CCC2 6754586 DJGUPAOCQKRCPT-UHFFFAOYSA-N 357.435 1.633 0 40 FDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cl)N1CCOCC1 66936107 LQWVLKQQEGKTED-AWEZNQCLSA-N 372.874 1.742 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1 7709207 ZOAZQDIGMYZCMX-UHFFFAOYSA-N 364.807 1.927 0 40 FDAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1N1CCOCC1 7722801 MNMQRRWKNBFBAH-UHFFFAOYSA-N 361.471 1.890 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 8315314 DOLVCBHYNOOIBL-CQSZACIVSA-N 367.471 1.055 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@@H](C)[C@@H](C)N2 18144241 IQNMVFBOBKVYSC-MNOVXSKESA-N 370.413 1.609 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)[C@H](C)NC(=O)c2ccccc21 72325483 WUOIAECHBWTSTF-ZDUSSCGKSA-N 367.405 1.477 0 40 FDAB biogenic COc1ccc(OC)c([C@H](C)NC(=O)Cn2ncc3c2C[C@@H](O)CC3)c1 95941880 AEXLMHSAYQALFK-JSGCOSHPSA-N 359.426 1.627 0 40 FDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(CC)cc3)C[C@@H]1C2 306136832 QEPVVGRDQRLVTL-IRXDYDNUSA-N 353.470 1.895 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1 32767995 MDPWGKIYCLFYFD-CMPLNLGQSA-N 351.428 1.836 0 40 FDAB COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)on1 509067845 MLLTYKCXRMJGJN-JQWIXIFHSA-N 354.407 1.791 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc(F)cc2)on1 38753108 BYJYUJAPXZYCEZ-UHFFFAOYSA-N 358.329 1.037 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3ccncc3)C[C@H]12)c1ccccc1 306135602 OVOCTTLSDQYPBJ-QXAKKESOSA-N 373.478 1.507 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccccn3)CCOCC2)o1 1547138698 FMPBXBVPCMGIKH-UHFFFAOYSA-N 358.394 1.804 0 40 FDAB biogenic Cc1ccc(Nc2nn[nH]c2C(=O)NCCCN2CCCC2=O)cc1C 67284007 SAJXSEYZJRDALL-UHFFFAOYSA-N 356.430 1.907 0 40 FDAB COc1cccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)c1 41185218 AYDQVFHIWIXJFC-UHFFFAOYSA-N 360.414 1.126 0 40 FDAB C[C@@H]1Cc2cc(C(=O)NCCO)ccc2N1S(=O)(=O)c1ccccc1 223379962 WVCOBHGNBJGANL-CYBMUJFWSA-N 360.435 1.549 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)Cc3nsc4ccccc34)CC2)C1=O 570039219 BWRPIAVXLIKVHQ-INIZCTEOSA-N 372.494 1.650 0 40 FDAB CN([C@@H](C(=O)NCCCc1ccco1)c1ccccc1)S(C)(=O)=O 225254386 FNNSIHSKLDEULP-MRXNPFEDSA-N 350.440 1.961 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224181848 ZGETZDKCOUDWAM-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB N[C@@H]1CCc2ncc(NC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)cc2C1 333294146 JQMYSBVNWIQALB-QAPCUYQASA-N 365.437 1.603 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cncnc2)Oc2ccccc21 96111746 YJLACZDDBCOWHU-HOCLYGCPSA-N 368.393 1.132 0 40 FDAB biogenic,in-vitro CC(C)CS(=O)(=O)N1CC[C@]2(CN(c3ccccc3)C(=O)CN2C)C1 96237866 PGFIAWLNTCUAJL-GOSISDBHSA-N 365.499 1.395 0 40 FDAB CCc1cnc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)nc1 96230484 ZDXPOLRZNRJUHA-IBGZPJMESA-N 352.442 1.362 0 40 FDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2n[nH]c3c2CCCC3)C1 583619627 NVTNAOSVYCPKEM-RISCZKNCSA-N 356.430 1.886 0 40 FDAB CN(Cc1ccccn1)C(=O)C[C@@H]1CN(C2CCOCC2)Cc2ccnn21 248130830 QHADYOKLFZPWKZ-LJQANCHMSA-N 369.469 1.863 0 40 FDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C(=O)c1cnco1)C[C@H]2c1ccccc1 257276817 NVGGNZDDDNOQAW-FAJBIJEISA-N 369.421 1.512 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C(C)C 257288246 PTMOSZGHKZTJFG-GOSISDBHSA-N 373.497 1.402 0 40 FDAB CN(CC(=O)NC1(c2c(F)cccc2F)CCC1)[C@@H]1CCS(=O)(=O)C1 629932577 AWAXZDWWYKMPSE-GFCCVEGCSA-N 372.437 1.579 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)N1CCc2c(cnn2-c2ccccc2)C1 644308846 GRHKXEJOOCLHAZ-GOSISDBHSA-N 368.437 1.130 0 40 FDAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)CCCc2ccccn2)CC1 681942353 XTCYHHQFVNTIFT-KRWDZBQOSA-N 361.442 1.719 0 40 FDAB O=c1ccc(C2CC2)nn1CCNc1ccc2nnc(C(F)(F)F)n2n1 1776008110 YZRMJNWMXKUXPS-UHFFFAOYSA-N 365.319 1.689 0 40 FDAB Cn1cnc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)c1 96119903 XVVHQFBRLHIBOV-UHFFFAOYSA-N 351.409 1.784 0 40 FDAB CCCC[C@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1289191142 DTGFFPGRDWRIGM-GVDBMIGSSA-N 369.550 1.869 0 40 FDAB Cc1snnc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)N3CCCC3)O[C@@H]2C1 585109241 FAUFIXZCCCNIEN-RWMBFGLXSA-N 350.444 1.089 0 40 FDAB O=C(NCC(=O)N1CCOCC1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 678948245 RCERYPKKYFGVJT-TZMCWYRMSA-N 371.359 1.719 0 40 FDAB Cc1ccccc1C[C@H](CO)CNC(=O)c1cnc(C2CCNCC2)[nH]1 685943211 XQMOAHIZBBSOCZ-HNNXBMFYSA-N 356.470 1.766 0 40 FDAB CC(=O)O[C@H]1[C@@H](OC(C)=O)O[C@H](COC(=O)c2ccc(F)cc2)[C@H]1F 94986141 GAYQFRZPRAPSEZ-KQTLUZQSSA-N 358.293 1.540 0 40 FDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103141608 FAAIYLMBVJAWFA-CYBMUJFWSA-N 369.450 1.763 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 583623110 RNDDTFRPKWBAAK-LSDHHAIUSA-N 368.524 1.654 0 40 FDAB CC(C)CN1[C@@H]2CN(Cc3ccncc3Cl)C[C@@H]2OCCS1(=O)=O 1534645777 BYBAJOWQVRPBJX-CVEARBPZSA-N 373.906 1.606 0 40 FDAB Cn1c(=O)cc(C(=O)N[C@H](Cc2ccsc2)c2nccs2)[nH]c1=O 12227125 QFAJWYYSZXYOIL-LLVKDONJSA-N 362.436 1.305 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)cc1 14405898 ZZOKJVKKRVCSOX-UHFFFAOYSA-N 357.395 1.771 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccncc3)C2)c2cccnc21 19021870 FPHNNZBHWWGEOJ-KRWDZBQOSA-N 364.453 1.952 0 40 FDAB CN1C(=O)[C@@]2(N=C(N)NC(N3CCCc4ccccc43)=N2)c2ccccc21 19339151 LYFBFFDXMCLLEJ-HXUWFJFHSA-N 360.421 1.543 0 40 FDAB COCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(OC)cc3)c2N)C1 19592712 JBXWVOMEPHPKCS-GFCCVEGCSA-N 358.398 1.141 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1nc(NC)cc([C@H]2CCCNC2)n1 19709999 JMTDAWLGCIZQHI-ZDUSSCGKSA-N 370.523 1.004 0 40 FDAB Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)Cn4cccn4)CC3)c2n1 19717977 IPRBCOQLOGYIBZ-UHFFFAOYSA-N 366.425 1.664 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c2ccncc2n1 1888890925 CTPAILFLJKBWQI-IAGOWNOFSA-N 373.416 1.955 0 40 FDAB O=C(NCc1nc(-c2ccccc2)no1)c1cc(N2CCOCC2)ncn1 239593199 DSPQWVDQIKPVAR-UHFFFAOYSA-N 366.381 1.293 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)n[nH]1 1565554007 OAZYBDUYTBKOKF-UHFFFAOYSA-N 353.382 1.224 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)CC1 1565549530 YZHZQZGXZUXYMU-MKJPBZQASA-N 364.486 1.679 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)o1 1565556420 SZQRWGXGJCWKHS-GOSISDBHSA-N 358.398 1.126 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@H]1c1ccc(F)cc1 4851015 STVYLZPEPFIINM-CQSZACIVSA-N 374.368 1.156 0 40 FDAB COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941588 YYQJNHHAWCPUEL-UHFFFAOYSA-N 360.439 1.710 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)NCc2ccc(C)cc2)c1 5301960 LAIHRMRAKVKHSQ-UHFFFAOYSA-N 362.451 1.853 0 40 FDAB O=C(NCc1cccs1)c1nnc2n(c1=O)CCN2c1ccccc1 12233592 ZEKMDZNJNCKNDJ-UHFFFAOYSA-N 353.407 1.782 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@](C(=O)NCC3CC3)(n3ccnc3)C2)o1 2055772591 ZJRAVRIPZHOLMA-LJQANCHMSA-N 356.426 1.942 0 40 FDAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)o1 31877635 DCSZTAVOYSXEJC-UHFFFAOYSA-N 356.425 1.292 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC(CN2C(=O)COC2=O)C1 575615723 HJRXGRSWECUTQF-UHFFFAOYSA-N 356.300 1.685 0 40 FDAB CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 40098745 XKCGROUMCNZHOS-UHFFFAOYSA-N 356.448 1.041 0 40 FDAB CCN1CCN(CCCCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 40105100 BTGBVKWCGGEDTM-UHFFFAOYSA-N 361.458 1.661 0 40 FDAB CC(C)(CNC(=O)N1CCN(c2nccs2)CC1)N1CCOCC1 32794826 VIJHKURAMYVRDD-UHFFFAOYSA-N 353.492 1.086 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)OCc3cnn(-c4ccccc4)c3)cnc21 21598339 PIUDHUUYCYIMDU-UHFFFAOYSA-N 364.365 1.059 0 40 FDAB CCCCn1nnnc1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 21625219 AHAQEYJQIVPSTP-JTQLQIEISA-N 372.476 1.126 0 40 FDAB CN(C)C(=O)CCCS(=O)(=O)Cc1nc(Cc2ccccc2)no1 72281642 XOHSHNPQURPEAD-UHFFFAOYSA-N 351.428 1.444 0 40 FDAB C[C@H](c1nc2ccccc2s1)N1CCN(Cc2nc(N)nc(N)n2)CC1 22787864 DBWPLFDMICVZAG-LLVKDONJSA-N 370.486 1.525 0 40 FDAB CCOc1cc2c(cc1Cn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@@H](C)C2 23043439 GWNCXXFIIFBCET-NSHDSACASA-N 370.409 1.204 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 915093 DAVNREGNPPKABN-WDMOLILDSA-N 362.304 1.479 0 40 FDAB Cc1cc(CNC(=S)NC(=O)[C@H](C)n2cc(Cl)c(C)n2)n(C)n1 8782477 RFYCLXUFIGKGBP-JTQLQIEISA-N 354.867 1.639 0 40 FDAB O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccccc1Cl 24251283 GEOYNYJYCWPTHJ-UHFFFAOYSA-N 366.849 1.348 0 40 FDAB CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 12504858 URWHVFRTJGXWAS-JTQLQIEISA-N 354.211 1.611 0 40 FDAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)[C@H]2CCCN2C1=O 12554917 GZZRWQIBSUXTEH-MRXNPFEDSA-N 356.426 1.960 0 40 FDAB COc1ccc(OC)c(CN2CCN(C(=O)NCCn3ccnc3)CC2)c1 43310570 SQOKMRBFIDQGPZ-UHFFFAOYSA-N 373.457 1.428 0 40 FDAB CCn1cnnc1CNC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 56973698 TUCPORDPODQGTD-UHFFFAOYSA-N 372.473 1.770 0 40 FDAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)Nc2ccccc2)C1=O 102829419 MWQKMWFOQJJWCY-SJORKVTESA-N 363.377 1.927 0 40 FDAB CCC[C@H](C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 57793992 BUINUFKYNXUERZ-NSHDSACASA-N 351.428 1.386 0 40 FDAB C[C@H](NC(=O)N[C@@H](C)c1nnc2ccccn12)c1nnc2ccccn12 12779526 MMTVPBCXSJPHOZ-RYUDHWBXSA-N 350.386 1.893 0 40 FDAB Cn1cnnc1[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 58101168 NGMWPYDRSKRSDG-INIZCTEOSA-N 350.426 1.950 0 40 FDAB Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23012158 FUOLXTFZJINVOS-UHFFFAOYSA-N 372.425 1.743 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccnc1-n1cccn1 25010290 DEHLWIWYIUBFEA-UHFFFAOYSA-N 362.397 1.893 0 40 FDAB CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3)cc2)c1C 58171066 OXCNKQBHTUBAEG-AWEZNQCLSA-N 370.409 1.366 0 40 FDAB O=C1CN(C(=O)CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc2N1 24996113 UCXVVPXLITYBFX-UHFFFAOYSA-N 373.409 1.117 0 40 FDAB CC(C)[C@H](NC(=O)CN1CSCC1=O)c1nc(-c2ccncc2)no1 58225903 ZTEZMOUHZUKJQS-AWEZNQCLSA-N 361.427 1.478 0 40 FDAB Cc1ccc(-c2nnc(SCc3cc(=O)n(C)c(=O)n3C)n2C)cc1 11288819 XOAFGMSAMOKMDF-UHFFFAOYSA-N 357.439 1.480 0 40 FDAB COCCN(C)CCCNC(=O)Nc1ccc(NC(C)=O)c(OC)c1 48386653 WAYHRWZIGWJFHI-UHFFFAOYSA-N 352.435 1.743 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11904549 HRWHFTGPCLDQRQ-NSHDSACASA-N 360.457 1.138 0 40 FDAB COc1cc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc(OC)c1 12983643 WAEJNOGFUBAVCX-UHFFFAOYSA-N 356.386 1.522 0 40 FDAB COC(=O)CCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49551809 ZAAPWIRWIPCOCU-UHFFFAOYSA-N 365.389 1.743 0 40 FDAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 9156970 VIYZLVHZMGLQRQ-UHFFFAOYSA-N 359.817 1.937 0 40 FDAB COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(C(C)=O)C2 4318138 AHNVGMKPMRHUPC-ONEGZZNKSA-N 352.368 1.019 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCCc1cccs1 14171950 UNVUKHMDEGKZFH-HNNXBMFYSA-N 357.435 1.570 0 40 FDAB CC1CCN(C(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 5559677 MALSZVMNLAPGNV-CYBMUJFWSA-N 358.394 1.473 0 40 FDAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1CCOCC1 9315236 BNGWRHNURPZNML-SNVBAGLBSA-N 363.395 1.805 0 40 FDAB Cc1cc2nc(SCC(=O)N3CCOCC3)n(CC(C)C)c(=O)c2[nH]1 67239375 CEVGFYRDPJHEPM-UHFFFAOYSA-N 364.471 1.640 0 40 FDAB O=C1CN(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c2ccccc2N1 7046822 SBMBHXZBTRVJNP-UHFFFAOYSA-N 355.394 1.681 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CCO)cc1C(F)(F)F 90446007 VXSKFAVQIDICPL-NSHDSACASA-N 353.362 1.786 0 40 FDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 97015880 SOPXEOQNBUCZEA-LBPRGKRZSA-N 356.835 1.619 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)on1 306124574 BTUTZXDFCHVZEE-AWEZNQCLSA-N 367.413 1.744 0 40 FDAB CC(=O)c1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)n(C)c1 83815643 JIKVURWVFUVHDL-HNNXBMFYSA-N 372.347 1.531 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 17720655 BJYSCPPETRIPGW-MRXNPFEDSA-N 351.366 1.649 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn2C1 306139321 SURHMDZDJUKTOV-AWEZNQCLSA-N 366.487 1.281 0 40 FDAB COc1cc(NC(=O)CCn2c(C)cc(O)cc2=O)cc(OC)c1OC 95475006 RAQAFNXDEADRKE-UHFFFAOYSA-N 362.382 1.917 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)Nc1nccs1 1547201137 LXVUJBPDYSSWBF-UHFFFAOYSA-N 374.357 1.267 0 40 FDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95954960 CJVBNSPTBLLIKL-GOEBONIOSA-N 358.438 1.794 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCO[C@@H]1C1CC1 89793767 NGHVZXVVMVRXNT-GOEBONIOSA-N 372.874 1.692 0 40 FDAB C[C@@H]1NC(C(=O)N[C@@H]2CCCCC[C@@H]2CO)=NN(c2ccccc2)C1=O 89919824 AYEUOORFKUQZBW-SQWLQELKSA-N 358.442 1.382 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N1CCc2ccccc21 28727164 INDDLTSXQOJIFD-AWEZNQCLSA-N 373.478 1.916 0 40 FDAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)NC1=S 409076591 AVXWLTUNZPTGEG-XFFZJAGNSA-N 350.396 1.626 0 40 FDAB Cc1ccnc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)c1 56901032 STQROMZZDACEPK-UHFFFAOYSA-N 364.361 1.981 0 40 FDAB COCCn1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1=O 31534493 MAERFHDBQFXDEI-UHFFFAOYSA-N 350.396 1.498 0 40 FDAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 521402334 HCJMNJRMAIUWNH-SNVBAGLBSA-N 365.329 1.917 0 40 FDAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(OC)cc2)cc2c(O)nnc1-2 524733370 MBQVFFZJSWWCNJ-AWEZNQCLSA-N 371.349 1.948 0 40 FDAB CCc1nc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cs1 32779043 HJJHUUYYCRWMKH-UHFFFAOYSA-N 367.456 1.329 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 217533446 TZGZGPFTNLGVFJ-LBPRGKRZSA-N 356.444 1.688 0 40 FDAB COc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)c(OC)c1 225958415 ZNOOTACRRCHLLM-UHFFFAOYSA-N 356.444 1.894 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2ncccn2)cc1 225216357 NCMCXWKFFISKHV-UHFFFAOYSA-N 351.457 1.214 0 40 FDAB COc1nn(C)cc1C(=O)NCCn1nc(-c2cccs2)ccc1=O 42379698 UAJPSZTXBVHHKX-UHFFFAOYSA-N 359.411 1.144 0 40 FDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1ccsc1 96087591 NDZQRQDKNKPMGX-CQSZACIVSA-N 359.499 1.909 0 40 FDAB O=C(Cn1nnc2c1CCCC2)N1CCc2c(ncn2-c2ccccc2)C1 584538962 FUUDQURVTMDORE-UHFFFAOYSA-N 362.437 1.928 0 40 FDAB Cn1nnc(-c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)n1 96230810 MJTASOXHZXOEMR-UHFFFAOYSA-N 367.365 1.301 0 40 FDAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(Cc1cnn(C)c1)CC2 96260486 AUMUABPZXUDTHZ-UHFFFAOYSA-N 370.501 1.843 0 40 FDAB Cc1ncc2n1C[C@@H](C(=O)NCCc1ccc(OCC(=O)O)cc1)CC2 585139531 SQIWDPLIFQSMJB-HNNXBMFYSA-N 357.410 1.576 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@H](Cc2cc(-c3nccn3C)ncn2)C1 257288038 PSOBXYCXWOTGFI-CQSZACIVSA-N 363.425 1.680 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3cnc(C4CC4)nc3)C2)ncn1 257342423 ZONXNJDMNANAMZ-AWEZNQCLSA-N 353.426 1.784 0 40 FDAB O[C@]1(CNCc2ccc(OCCF)cc2)CCCN(c2ncccn2)C1 257220827 DMIJQAUMCAXBBE-IBGZPJMESA-N 360.433 1.946 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)n1 257315948 VDKURLOTOJBUKD-OALUTQOASA-N 365.433 1.685 0 40 FDAB c1cnc(CC[C@H]2COCCN2Cc2ccnc(N3CCCC3)n2)cn1 257304963 SNXDFDVHSXTEAW-SFHVURJKSA-N 354.458 1.700 0 40 FDAB Cc1ccc(CN(C(=O)CN2CCC[C@](O)(CC(N)=O)C2)C2CC2)cc1 643805952 VJGFCNFITJJEKW-FQEVSTJZSA-N 359.470 1.188 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NCc1ccc2c(c1)OCCO2 656857520 IOKHARJEUZODKQ-IFXJQAMLSA-N 356.426 1.784 0 40 FDAB COc1cccc([C@@H](CNC(=O)N2CCC3(CC2)NC(=O)CO3)OC)c1 1615589524 ICRGCZACXYZJET-OAHLLOKOSA-N 363.414 1.031 0 40 FDAB CC1(C)Cc2n[nH]cc2CN(C(=O)c2coc(CN3CC[C@H](O)C3)n2)C1 685944034 XPWKTJKEIGSOKK-ZDUSSCGKSA-N 359.430 1.189 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCO2)C1 585095710 FATXRUPEPKATST-HNNXBMFYSA-N 356.382 1.340 0 40 FDAB Cc1cncc(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3[C@H]2C)c1 585098207 RZWHYDIOXJDDFE-OAHLLOKOSA-N 365.437 1.744 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cc(-c3ccccc3F)no2)[C@@H]1O 585286130 JNWYDHIPEJSUEC-BMFZPTHFSA-N 350.346 1.327 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)n(C)n1 585112685 SXWQLORVPFGIDM-KRWDZBQOSA-N 357.462 1.287 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc3c2=O)CC1 28433975 NCADFXDGSWSRRO-UHFFFAOYSA-N 358.398 1.134 0 40 FDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 34367106 HAVYIOGQBOUAPK-VIFPVBQESA-N 352.334 1.471 0 40 FDAB Cn1cncc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@H]12 1549162411 PWSKFOHPNXZFEQ-SFHVURJKSA-N 367.453 1.311 0 40 FDAB CNC(=O)C1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 12333786 UBJQFEOGCCXFMY-UHFFFAOYSA-N 357.498 1.926 0 40 FDAB O=C(c1ccncc1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267472 XDPPGCDNKZRYFP-UHFFFAOYSA-N 364.405 1.459 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc2ccccc2s1 2659117 HALQZUMRZUQSTR-UHFFFAOYSA-N 352.375 1.938 0 40 FDAB COc1cc(OC)nc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 1888853162 FXVVCAOTGVEEIQ-UHFFFAOYSA-N 371.445 1.211 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)ncc1F 1888903880 MIWNLBWHWAFWMW-BETUJISGSA-N 367.388 1.175 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888913577 LUNGFLXESCQRIC-HNNXBMFYSA-N 362.411 1.489 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3nc(C)nc4c3CCC4)CC2)[nH]1 1889101130 VVRBAYUDKKUWBQ-UHFFFAOYSA-N 353.474 1.552 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(CCn4nccn4)CC3)nc2)cn1 1889149216 PICYLPNEKUWIDP-UHFFFAOYSA-N 354.418 1.012 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1C 2037916255 ZOJYEECYCVGSNQ-HXUWFJFHSA-N 372.469 1.881 0 40 FDAB O=C(N1C[C@H]2c3nc(NCCN4CCCC4)ncc3C[C@H]2C1)C1(F)CCC1 1565553790 JGNLPIIRLHUTGM-JKSUJKDBSA-N 373.476 1.975 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCc2ccccc21 11927630 LQIZVSLPUUHHEZ-UHFFFAOYSA-N 354.410 1.253 0 40 FDAB Cc1nn(CC(=O)NC2CCCC2)c(=O)c2c1cnn2-c1ccccc1 13970532 LFXZYWZZSXXGKM-UHFFFAOYSA-N 351.410 1.949 0 40 FDAB CC(C)n1nc(N2CCN(c3ncnc4c3CCCC4)CC2)ccc1=O 2298028488 LTEFPIBQUBTAST-UHFFFAOYSA-N 354.458 1.820 0 40 FDAB CSc1ncc(Br)c(N2CC(C(=O)N3CCOCC3)C2)n1 2298192556 DOYRYMXOSFMVKD-UHFFFAOYSA-N 373.276 1.256 0 40 FDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@@H]3CCCNC3)C1)O2 12122862 DUGWHVRCEARLOQ-VLIAUNLRSA-N 373.453 1.178 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)cc2OC)s1 40024523 BUDLODBCQHNESH-UHFFFAOYSA-N 370.452 1.603 0 40 FDAB O=C(NCCN1CCCCC1)c1nc(COc2ccc3c(c2)OCO3)no1 20744836 RVSGAVHXXLIYBX-UHFFFAOYSA-N 374.397 1.593 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 101665539 PACLMMLWUPFDCQ-KRWDZBQOSA-N 367.405 1.188 0 40 FDAB C[C@H](CNC(=O)c1cccc(OCC(N)=O)c1)N1CCc2ccccc21 33057698 BVQHSGHDLPLYCG-CQSZACIVSA-N 353.422 1.732 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)no1 12029137 WOBVWAGWUFIGJT-NSHDSACASA-N 354.388 1.380 0 40 FDAB O=c1c2cnc(NCCc3ccccn3)nc2nc(O)n1Cc1ccccc1 77100709 BZGUILRCEWHULB-UHFFFAOYSA-N 374.404 1.990 0 40 FDAB Cc1cnc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cn1 22701088 ITVQBJNIGHNTJZ-UHFFFAOYSA-N 370.438 1.855 0 40 FDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 3001587 MZEQOECHRBQKRG-WQJNHMDYSA-N 352.390 1.976 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc3c(c2)CCC3)cc1 7525267 ONDPFEVHEXLPGZ-UHFFFAOYSA-N 358.463 1.724 0 40 FDAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 7781281 LAUOOTWGYJMRQL-UHFFFAOYSA-N 363.333 1.535 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 23019782 SPOQDOCTCSLVMO-CYBMUJFWSA-N 365.499 1.973 0 40 FDAB O=c1n(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)nc2ccccn12 23249328 QPQVOUWXNYCHSJ-UHFFFAOYSA-N 365.437 1.206 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)c3ccccc3o2)cc1 3214817 ACVAFBRHTAHXOX-UHFFFAOYSA-N 372.402 1.413 0 40 FDAB C[C@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)NCC(F)(F)F 8943064 QWNXMPNTGIXTCM-LURJTMIESA-N 356.226 1.946 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Oc2cccc(S(C)(=O)=O)c2)c1 56075220 QOIBJRMRDSMRRC-UHFFFAOYSA-N 372.420 1.875 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 25737503 BSACACIKKJGAJU-UHFFFAOYSA-N 367.805 1.182 0 40 FDAB C[C@@H]1NC(C(=O)N[C@H]2CCCCC[C@H]2CO)=NN(c2ccccc2)C1=O 107591559 AYEUOORFKUQZBW-DZKIICNBSA-N 358.442 1.382 0 40 FDAB Cc1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)n1C1CC1 35310594 XVGBRKVOALZIGU-UHFFFAOYSA-N 358.486 1.820 0 40 FDAB c1ccc(Cn2nnnc2SCc2nnnn2-c2ccccc2)cc1 12601265 KOYMOFREWZYXQR-UHFFFAOYSA-N 350.411 1.989 0 40 FDAB O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1ccco1 102621534 DUWVMYVNSWYLSY-UHFFFAOYSA-N 351.322 1.842 0 40 FDAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(C)c(C(=O)OC)o2)c1C 58179141 GFPJAIYKCKVPEO-UHFFFAOYSA-N 369.443 1.877 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(N2CCc3ccccc32)cc1 58222914 ZFRCPGBUUBCWBS-UHFFFAOYSA-N 362.389 1.870 0 40 FDAB COC(=O)CCCCCNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2108303 VWMBGCSZQWYTOT-LSDHHAIUSA-N 361.442 1.710 0 40 FDAB biogenic C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 58392758 MSTBEFVZPTUGKP-PKOBYXMFSA-N 373.497 1.477 0 40 FDAB CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 58391796 LCMMPQVLYDUXIN-CYBMUJFWSA-N 351.403 1.865 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)c2ccccc21 28049025 VTKBVWXTFGFBPE-UHFFFAOYSA-N 366.377 1.907 0 40 FDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 29029963 QSZJDNJXFWDRAA-UHFFFAOYSA-N 356.401 1.885 0 40 FDAB COc1ccc2cc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)c(C)nc2c1 10726000 LEZITTCVUMVLMO-ZDUSSCGKSA-N 358.394 1.956 0 40 FDAB CCCCc1noc(CS(=O)(=O)CC(=O)NCCCOC(C)C)n1 36396400 IKDXTONIPPPLRE-UHFFFAOYSA-N 361.464 1.258 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CSc2ccc(F)c(Cl)c2)CC1 8920051 CCLCSRHJMLLZQZ-UHFFFAOYSA-N 366.867 1.675 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(CC(N)=O)cs2)C1=O 12878191 JRVJRKBZDKSPAZ-JTQLQIEISA-N 374.422 1.314 0 40 FDAB Cc1cccc([C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)N2CCOCC2)c1 60381285 UGDWHVONDIHHOE-MRXNPFEDSA-N 368.441 1.450 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 12971603 HTLAMUNLSFWYGL-IFXJQAMLSA-N 372.377 1.689 0 40 FDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1 13269700 JORMZUKNGRJWDY-UHFFFAOYSA-N 360.819 1.281 0 40 FDAB O=c1oc2ccccc2n1CCS(=O)(=O)NCc1ccc(F)cc1 9153970 GUDMVYHJSOODBA-UHFFFAOYSA-N 350.371 1.853 0 40 FDAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 13725157 NZENMJPRAKLLFF-LBPRGKRZSA-N 366.464 1.665 0 40 FDAB O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)NCC2(O)CCC2)C1 96000233 VUMAEZDLVXJHEE-OAHLLOKOSA-N 352.456 1.126 0 40 FDAB CN(C)C1(CNC(=O)Cn2nc(O)c3ccccc3c2=O)CCCCC1 14093239 UXRJQFWGWBKUMC-UHFFFAOYSA-N 358.442 1.483 0 40 FDAB CCCCN(C(=O)c1ccncc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14161454 SMTMWMNZOFZLLB-UHFFFAOYSA-N 359.430 1.617 0 40 FDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 14110863 VCNPGXRLXZPFNB-OAHLLOKOSA-N 362.455 1.238 0 40 FDAB CCOC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1 6818535 YUZQSGISSGWNQW-UHFFFAOYSA-N 356.407 1.890 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 67338654 SWRDIRRWAYQHRW-CQSZACIVSA-N 369.487 1.014 0 40 FDAB C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 7486456 HRGNUJXHYWJPBL-INIZCTEOSA-N 365.499 1.394 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NC[C@H]1COc2ccccc2O1 7495511 GCHIAFBSUDCNQS-NSHDSACASA-N 357.391 1.414 0 40 FDAB CCCn1c(O)nnc1SCC(=O)NC[C@@H](c1ccccc1)N(C)C 7532189 HNTTZUNDIXZCHM-AWEZNQCLSA-N 363.487 1.905 0 40 FDAB Cc1cc(C)cc(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1 16053541 BWUBQGAADHHGOO-UHFFFAOYSA-N 362.304 1.614 0 40 FDAB CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3cscn3)CC2)n1 81173444 RJNYVNXBOMWKJS-NSHDSACASA-N 351.432 1.582 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccc(COC)c2)NC(=O)N[C@H]1C 8394072 LCINWXITKXNLQV-NSHDSACASA-N 362.382 1.508 0 40 FDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2nc(-c3cccnc3)no2)C1 69597032 JPDULYKEPYJEBE-CQSZACIVSA-N 367.413 1.599 0 40 FDAB O=C(C[S@](=O)Cc1nnnn1-c1ccccc1)NCc1cccs1 71801221 OYAQEPZFRYAWLI-DEOSSOPVSA-N 361.452 1.289 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC[C@H]1NC(=O)NC1=O 8723633 LHLKDJXGRMWJPF-MRXNPFEDSA-N 369.425 1.436 0 40 FDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2C1 67897499 ZSPHFFZQSOKGJX-SJORKVTESA-N 355.369 1.473 0 40 FDAB biogenic,in-vitro Cn1cc(C[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)C(N)=O)cn1 95443832 HGLBVOUGCYXAFP-MRXNPFEDSA-N 372.450 1.196 0 40 FDAB CN(C(=O)CN1CCC(c2nnc3cnccn23)CC1)c1nccs1 95432488 JMJKHFBDSYBDCB-UHFFFAOYSA-N 357.443 1.423 0 40 FDAB CCOCCOc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 84802731 DKDHAYKERTZALH-HOTGVXAUSA-N 368.499 1.959 0 40 FDAB COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OCC(N)=O 9957922 NGAGWALMEGNWMC-UHFFFAOYSA-N 350.415 1.974 0 40 FDAB CCN(CC)CCOC1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 74974601 HVOSQLZCSBVVAC-INIZCTEOSA-N 361.552 1.928 0 40 FDAB CC[C@@](C)(CC(=O)OC)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 75093550 SLCGQTSJGNWOLF-KQJRHQORSA-N 367.446 1.335 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1S(=O)(=O)N1CCOCC1 68682558 VEFWRZYKRUVEAU-AWEZNQCLSA-N 354.472 1.790 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 24763009 XQFRZPPXGUKZFD-UHFFFAOYSA-N 357.395 1.382 0 40 FDAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCCO 409391748 OJQWLELQCHYTCR-UHFFFAOYSA-N 368.386 1.114 0 40 FDAB O=S1(=O)[C@@H]2[C@@H](CN1CC1CC1)[C@H]1CN(Cc3ccc(F)cc3)C[C@H]2O1 306135864 PDHJYDSMGXNBCB-BSDSXHPESA-N 366.458 1.449 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H](C)C(N)=O)C(C)C)cc1C 24651805 WUFIIJQEIPDKKM-TZMCWYRMSA-N 356.444 1.023 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408670188 WVQPXYTWLGXRJM-BCBCSNLJSA-N 368.389 1.364 0 40 FDAB O=C(O)Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408710621 RYLPJXMYOAZIJB-IYVPYFHTSA-N 354.362 1.059 0 40 FDAB O=C1NCC[C@H]1CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 519701134 DAWZLXMCWHFGOR-LBPRGKRZSA-N 353.825 1.763 0 40 FDAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217424738 MJZXXJZGIHJLAN-ZDUSSCGKSA-N 356.444 1.910 0 40 FDAB CCn1nccc1C(=O)N1CCC([C@H]2CCCCN2S(C)(=O)=O)CC1 72354293 VMWPPJAFPNVHED-OAHLLOKOSA-N 368.503 1.569 0 40 FDAB O=C1C[C@H]([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CN1 560323524 XFSJNHHRKPPZGP-IINYFYTJSA-N 356.382 1.093 0 40 FDAB Cc1cc2nc([C@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)cc(N)n2n1 72339785 FJRUZFKICCWQPT-HNNXBMFYSA-N 366.473 1.856 0 40 FDAB CNC(=O)c1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 45151539 WNXVBHWZXQLZKM-UHFFFAOYSA-N 369.446 1.801 0 40 FDAB CN(C)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(Cl)cc2Cl)c1=O 222668786 QLNGYEFBCBIFBF-UHFFFAOYSA-N 358.181 1.592 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 224758994 JDFCPCADZDCOOX-UHFFFAOYSA-N 370.427 1.054 0 40 FDAB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1 221203833 GIPRMSYSEXSKBY-QGZVFWFLSA-N 369.421 1.516 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96046500 CMKHJXJLEIBOLL-UHFFFAOYSA-N 354.410 1.778 0 40 FDAB Cn1cncc1CN[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96241518 QODMNJWZGGLDKU-GOSISDBHSA-N 374.510 1.948 0 40 FDAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)NC[C@H]2CCOC2)CC1 583623925 NXMDHXNSORGRNL-ZBFHGGJFSA-N 373.519 1.401 0 40 FDAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H](n4cc(C(=O)O)nn4)C3)ccc2O1 581261382 KIXCTZGKOBQOHM-FZMZJTMJSA-N 356.382 1.777 0 40 FDAB CCn1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)cn1 249696185 SFVYWEXQBWQHKB-KRWDZBQOSA-N 362.474 1.275 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 240178583 ZBHUOAQZAFWGLT-JOCQHMNTSA-N 352.416 1.750 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247846294 HFWIPIATGWKOTI-KRWDZBQOSA-N 362.445 1.708 0 40 FDAB CCn1nccc1-c1ccc(C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257262667 LMIITFYWHAXYHG-HNNXBMFYSA-N 363.487 1.636 0 40 FDAB CC(C)NC(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 253406619 UTVCAKZWGYKICB-QUCCMNQESA-N 360.502 1.357 0 40 FDAB biogenic,in-vitro COCc1cnc(NC(=O)NC(c2nccn2C)c2nccn2C)s1 529095049 TXURGNURKMNTAT-UHFFFAOYSA-N 361.431 1.668 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)Cc3ccc(C)s3)CC2)OC[C@]1(C)O 257326938 WZECUSABSFXKMT-RDJZCZTQSA-N 352.500 1.720 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257279321 OGAYXCQALIZHMB-MRXNPFEDSA-N 352.398 1.727 0 40 FDAB Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@H](Oc2ccccc2)C1 668729895 GQOIVVRSSUDTEJ-HNNXBMFYSA-N 366.425 1.869 0 40 FDAB O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNCc1cnn(Cc2ccccc2)c1 1775959198 LMGCAULXEHCWOC-KZNAEPCWSA-N 352.442 1.694 0 40 FDAB CCN(CCN)C(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 626853822 ULNOHWWEWMYBKC-UHFFFAOYSA-N 369.347 1.637 0 40 FDAB CO[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)s1 96104731 IOTGFEAPVCFDIX-ZDUSSCGKSA-N 360.501 1.532 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)cc1 96362319 BSQCQNJUFQNAPI-SFHVURJKSA-N 354.406 1.929 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)Cc1cc(F)ccc1Cl 656563971 ZMAPKKQAZKSIRV-AWEZNQCLSA-N 365.810 1.875 0 40 FDAB O=S1(=O)CC[C@@H](N(CCO)S(=O)(=O)c2ccc3ccccc3c2)C1 575421568 KCBBPZLYDLPFRQ-OAHLLOKOSA-N 369.464 1.010 0 40 FDAB C[C@H](C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 28540270 ZJFWRZKHRKYVMI-YOEHRIQHSA-N 354.406 1.751 0 40 FDAB CCC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 1775997138 WUVJLIJWFMNLRG-OAHLLOKOSA-N 369.465 1.845 0 40 FDAB Cc1cc(N2C[C@H]3CN(C(=O)COc4ccc(F)cc4)C[C@@H]3C2)ncn1 1776009592 LDFWISSLNYBRDI-GJZGRUSLSA-N 356.401 1.898 0 40 FDAB C[C@H]1COCCOC(=O)c2cccc(n2)C(=O)OCCOC[C@H](C)O1 5573090 DCHRBABQISIBTJ-STQMWFEESA-N 353.371 1.236 0 40 FDAB CC(C)OCCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199754 UFFKHMOBUBOVCB-UHFFFAOYSA-N 354.428 1.433 0 40 FDAB COc1ccc(CCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 17154811 FOZZUBGRWTXHGN-UHFFFAOYSA-N 362.451 1.634 0 40 FDAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17168253 SVXDLALONSRION-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccc2c(c1)OCCO2 19286366 BIVKLBNHRFPQFD-CABCVRRESA-N 353.422 1.981 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2cc3ncccc3cn2)C1 19347355 LAUXZNOUUDXWEJ-LSDHHAIUSA-N 359.451 1.771 0 40 FDAB Cc1nc(N2CCOCC2)sc1CN1CCN(C2CCCC2)C(=O)C1 19658718 SKMCFIZIZKQUNL-UHFFFAOYSA-N 364.515 1.875 0 40 FDAB Cc1ncsc1C(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706439 QYPDYBZBMLJJLL-ZDUSSCGKSA-N 360.487 1.898 0 40 FDAB Cc1cc(N2C(=O)C[C@@H](N3CCN(c4ccccc4O)CC3)C2=O)no1 19874131 PDLDWOXQDXYPFQ-CQSZACIVSA-N 356.382 1.143 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(O)cc(Br)c1 627844242 KPYFRADKGINCGL-OAHLLOKOSA-N 371.231 1.522 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 11359865 FOGFXNZQMRISOM-LLVKDONJSA-N 365.411 1.086 0 40 FDAB CCc1nc(N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)nc(O)c1F 1888855796 KXUNLLYRBZPGDK-BETUJISGSA-N 358.421 1.863 0 40 FDAB Fc1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888882281 RJRDJUOYEOFQST-LLVKDONJSA-N 355.377 1.836 0 40 FDAB C[C@H]1OS(=O)(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)OCc1ccccc1 1857780927 SIINDNDAQWYDFY-YPMHNXCESA-N 371.411 1.999 0 40 FDAB O=C(c1cccnc1O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037978123 BWGOZVUGOZOQHW-IBGZPJMESA-N 371.368 1.574 0 40 FDAB Cc1cncc(CN2CCO[C@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226075 JQJIECOIJXADJZ-ICSRJNTNSA-N 374.485 1.594 0 40 FDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cc(F)ncc1F 1614936590 DFBWTXWEEIJTLT-SNVBAGLBSA-N 359.340 1.413 0 40 FDAB CN(Cc1ncccn1)C(=O)[C@@H]1CN(c2ncccn2)CC12CCOCC2 1615062877 OEVUOCHQVBKFFJ-HNNXBMFYSA-N 368.441 1.158 0 40 FDAB COCCN1CCCC2(CCN(C(=O)c3cc(F)ncc3F)CC2)C1=O 1565554930 LCPQQVXGTHTGNQ-UHFFFAOYSA-N 367.396 1.851 0 40 FDAB O=C(Nc1cccnc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273357 QJGWUDYILHNSQX-CYBMUJFWSA-N 354.366 1.780 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cc(C)cs2)CC1 2055746493 NJPJCFQGETXLHX-UHFFFAOYSA-N 361.471 1.623 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 2055725606 IVBXBHJXUIJXIH-BHYGNILZSA-N 352.456 1.570 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(CCF)S4(=O)=O)O3)CC1 2055844895 NCDNEEBKMOUMMA-NPCUJANDSA-N 374.478 1.166 0 40 FDAB COC(=O)c1sc(NC(=O)CCN2CCOCC2)c(C(=O)OC)c1C 20507218 AEIBGWAWNYUKSH-UHFFFAOYSA-N 370.427 1.291 0 40 FDAB O=C(C[C@@H](NCCN1CCOCC1)C(=O)O)Nc1ccc2ccccc2c1 22593069 QOPHVQZPIOFQHZ-GOSISDBHSA-N 371.437 1.543 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)c1 5271206 OTFYFHCEIKXSHH-UHFFFAOYSA-N 362.349 1.278 0 40 FDAB CN(C)CCCNC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 8990867 OCOGYDZPKCBYMP-UHFFFAOYSA-N 371.485 1.666 0 40 FDAB COc1ccc(N2C(=O)CN(CCC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11983934 ANDPXSQZOZVBOZ-SJORKVTESA-N 366.483 1.556 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 32096602 BVKKAYVCTAOKGD-YUELXQCFSA-N 367.471 1.526 0 40 FDAB COc1ccc2c(c1)CCCN2C(=O)CCn1cnc2c(cnn2C)c1=O 21492628 SAEVXJBGYSVODD-UHFFFAOYSA-N 367.409 1.508 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)NCc2nnc3n2CCCC3)CC1=O 41139514 OWMKUONZEJKTMU-ZDUSSCGKSA-N 369.425 1.292 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 22038916 XJRUXJHETWSYNJ-AWEZNQCLSA-N 359.378 1.974 0 40 FDAB COCCCNC(=S)N(CCO)Cc1cc2cccc(C)c2[nH]c1=O 4131772 DFVUKEQKHXTWGM-UHFFFAOYSA-N 363.483 1.542 0 40 FDAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1 4355735 QMLMJSKTQYMHTC-QGZVFWFLSA-N 372.473 1.769 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4553378 GUSQRVIGTKPWEJ-AZQPONJRSA-N 368.389 1.609 0 40 FDAB CC(C)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 23004365 ZPESRCJHLQNASG-MRXNPFEDSA-N 369.421 1.488 0 40 FDAB O=C(CCNc1ncccn1)NCCS(=O)(=O)c1ccc(Cl)cc1 54228617 IYCMSZRMZJUCJP-UHFFFAOYSA-N 368.846 1.522 0 40 FDAB CCCn1nnnc1NC(=O)c1ccccc1I 6462566 XYMLEJWCTNUONS-UHFFFAOYSA-N 357.155 1.940 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1 6996610 HZWIZDOEROHIAP-UHFFFAOYSA-N 358.420 1.846 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)c1 23387234 WGECUAFBUYQHAA-KRWDZBQOSA-N 356.426 1.241 0 40 FDAB COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cc(OC)c1OCC(N)=O 23306392 MAHGLSJEQPDWLB-NSHDSACASA-N 362.382 1.960 0 40 FDAB CC(=O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8299803 ACDKUQQYZNAZDJ-UAGQMJEPSA-N 359.474 1.640 0 40 FDAB biogenic,in-vitro COc1ccccc1N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 23625094 VNHRBHZXUBMCAC-DLBZAZTESA-N 350.459 1.374 0 40 FDAB CN(C(=O)CN(C)[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 23701898 AHRJELFYHLYFOW-DOTOQJQBSA-N 350.484 1.641 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(OC)cc1 9970117 TWBFTYFQACUXEJ-MRXNPFEDSA-N 364.442 1.796 0 40 FDAB O=c1c2[nH]c3ccc(F)cc3c2nc2n1[C@H]1CS(=O)(=O)C[C@H]1S2 1430282 SQIMMBDVXPCISW-VHSXEESVSA-N 351.384 1.461 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128015 XDCQXSSPOXQACO-VQHPVUNQSA-N 360.502 1.929 0 40 FDAB COc1ccc([C@@H]2[C@H](n3cnnn3)C(=O)N2CCCOCC2CC2)cc1 58154838 MQIRDAARIXYYBZ-SJORKVTESA-N 357.414 1.623 0 40 FDAB COCCNC(=O)NC(=O)CNc1cc(C(=O)OC)ccc1OC(C)C 58203289 IYBLKJPVGKENBI-UHFFFAOYSA-N 367.402 1.145 0 40 FDAB Cc1ccc(NC(=O)c2cnn3c(O)cc([C@H]4CC(=O)N(C)C4)nc23)cc1 100775559 GPIQLNMOVUEQBQ-LBPRGKRZSA-N 365.393 1.941 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)nc1n2CCCCC1 12736928 VGTFYCLVXQLIIO-UHFFFAOYSA-N 353.382 1.251 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C[C@@H](C)O1 57280278 DIUOYBCSXJOFCQ-VXGBXAGGSA-N 352.456 1.739 0 40 FDAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(-n2cnnn2)c1 60060233 DGFJAEVGTVHOPE-UHFFFAOYSA-N 355.301 1.880 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 11939052 KQIUNSZAANCKOB-GOEBONIOSA-N 361.442 1.976 0 40 FDAB NC(=O)c1ccc(NC(=O)CN2C=Nc3ccccc3S2(=O)=O)cc1 48308921 LKVSHMCPJAISIV-UHFFFAOYSA-N 358.379 1.088 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12863006 OOWSFQVEKYROSU-WMLDXEAASA-N 352.818 1.938 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)N1 12940758 HRDOHDYYOOBJOK-UHFFFAOYSA-N 356.209 1.737 0 40 FDAB CN(C)S(=O)(=O)c1ccc(-c2csc(N3CCOCC3)n2)cc1 9050710 XUZULRDWLXDWMQ-UHFFFAOYSA-N 353.469 1.897 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 6328991 QGARZOBZOLGPQG-UHFFFAOYSA-N 358.416 1.877 0 40 FDAB CN1CCN(CC2CC2)[C@@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306139530 SZQFMHVGHJACRT-GOSISDBHSA-N 355.486 1.869 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1C 5558926 IMMJBFBZSFAMAM-DGCLKSJQSA-N 354.428 1.311 0 40 FDAB CCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cn1 96005381 FMASFZKLQKHLEO-OAHLLOKOSA-N 354.476 1.370 0 40 FDAB Cc1ccc(N(Cc2nnc(SCC(=O)O)n2C)S(C)(=O)=O)cc1 15019681 AVTRZKVBIHZIMO-UHFFFAOYSA-N 370.456 1.266 0 40 FDAB Cc1cccc(C)c1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4943415 GXDNSALVAJZCNV-UHFFFAOYSA-N 355.398 1.079 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(F)ccc3C)nc2n1 7985144 FIKZYVHGTHHJRM-UHFFFAOYSA-N 357.345 1.984 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C(=O)OC 8151854 VZCBFBGRVCOVON-OTYXRUKQSA-N 357.790 1.906 0 40 FDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@@H]1CCCO1 8231442 NYOQSSLAAJMHDB-NSHDSACASA-N 363.395 1.853 0 40 FDAB CC(C)N(CC(N)=O)C(=O)/C=C/c1ccc(I)o1 70690082 SGIQJRNUQGEDOR-GQCTYLIASA-N 362.167 1.620 0 40 FDAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 95405684 UXRLKPUTSKFEIA-OAHLLOKOSA-N 353.488 1.503 0 40 FDAB COc1nn(C)c2nc(C)c(CCC(=O)OCc3nnc(C)n3C)c(C)c12 95953843 QOYDXLJLWIDHOI-UHFFFAOYSA-N 372.429 1.707 0 40 FDAB CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1 95985764 DZNSECMEGSGHOJ-UHFFFAOYSA-N 361.423 1.158 0 40 FDAB CCOc1cc(CN2CCc3[nH]ncc3C2)nc2nc(C(F)(F)F)nn12 95977255 RNZYQMYSSBDLBW-UHFFFAOYSA-N 367.335 1.823 0 40 FDAB O=C(CC1CCN(CCn2c(=O)oc3cccnc32)CC1)N1CCCC1 89425271 UUWZBVGLAPUMOP-UHFFFAOYSA-N 358.442 1.714 0 40 FDAB C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(C)(C)CN(C)C 75109997 SFFMABDVFIGYFH-ZDUSSCGKSA-N 355.504 1.643 0 40 FDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 89954604 ACYIWRZKILTJDP-AWEZNQCLSA-N 361.417 1.754 0 40 FDAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 76019140 MZOQBAKDMIRPGU-VXGBXAGGSA-N 361.366 1.754 0 40 FDAB CN1C[C@@H]2CC[C@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306123695 AUAINRSAOQYWRQ-GOEBONIOSA-N 363.483 1.671 0 40 FDAB COc1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1OC 22273443 JHFWBCAGPYRUJP-UHFFFAOYSA-N 370.471 1.919 0 40 FDAB COc1ccc(/C=C/C(=O)NCCCN2CCOCC2)c(OC)c1OC 408564597 XTFGNNMSMQTYMK-SOFGYWHQSA-N 364.442 1.564 0 40 FDAB COC(=O)c1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 79479061 GAQWMHJTARKMCQ-LLVKDONJSA-N 353.338 1.119 0 40 FDAB C[C@H](c1ccsc1)N1CCN(C(=O)Cc2nc3ncccn3n2)CC1 184356482 XHPDPVJMEOCCAJ-CYBMUJFWSA-N 356.455 1.634 0 40 FDAB COc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)cn1 225930384 ZKEPIGHVPYZCIG-UHFFFAOYSA-N 353.425 1.601 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222670868 GMIRRVMKXCQKEG-UHFFFAOYSA-N 359.382 1.219 0 40 FDAB CN(C)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)cc1 41126970 QDFPKVZWMFWYCP-UHFFFAOYSA-N 372.454 1.114 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2n[nH]c3ccccc23)[C@@H]1c1nccn1C 582860542 DCMGSSIINRJOKN-MEDUHNTESA-N 352.398 1.246 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC)c1ccccc12 96052600 OTAOAKCDHBYEJG-CQSZACIVSA-N 350.484 1.993 0 40 FDAB CN1CCN([C@@H]2CCN(Cc3cccs3)[C@H]2Cc2cnn(C)c2)CC1 96061726 FKAYGKVASRAQPI-MOPGFXCFSA-N 359.543 1.915 0 40 FDAB C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC(=O)[C@@H]1[C@H](C(=O)O)C[C@H](O)C[C@H]12 96023749 PESWLPIIHLYDJT-OXIVVSFQSA-N 362.378 1.951 0 40 FDAB biogenic Cc1ncsc1CN1CC2(CC[C@H](CNC(=O)c3ccno3)CO2)C1 248061415 VWIKBNJNSRIRCA-CYBMUJFWSA-N 362.455 1.851 0 40 FDAB Nc1cc(CC[C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)ccn1 257251007 JOZQXVBXCMVGQY-AWEZNQCLSA-N 352.398 1.180 0 40 FDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCn2ccc(C)n2)n1 257331103 XRJDAERMBHRHCA-KRWDZBQOSA-N 356.430 1.371 0 40 FDAB CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(=O)n(C3CC3)c1)C2 1775956884 XLJOFXJYEUGPAF-QQTQMKHKSA-N 359.470 1.393 0 40 FDAB CCc1ncnc(N[C@]23CC[C@@H]2CN(C(=O)c2cncnc2C)C3)c1F 1615057639 VIFWYCJZPUTSLH-XIKOKIGWSA-N 356.405 1.993 0 40 FDAB COC(=O)c1sc2ccccc2c1CNC(=O)[C@H](C)N1C(=O)CCC1=O 609118910 KFFIGVAEGUZWSE-JTQLQIEISA-N 374.418 1.842 0 40 FDAB O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)Cc1cccc(OC(F)(F)F)c1 643859200 ZCNBZZVXHDVIIM-NSHDSACASA-N 370.287 1.215 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)cc(Br)c1 643939505 LKECGWWXNHMOAK-HNNXBMFYSA-N 355.232 1.864 0 40 FDAB CCc1noc(COC2CN(C(=O)N[C@H]3C[C@@H](OC)C34CCC4)C2)n1 644508063 AEUDKCAMTLYUFL-QWHCGFSZSA-N 350.419 1.500 0 40 FDAB O=C1COc2cc(C(=O)NCC3CCNCC3)c(Br)cc2N1 646613210 OYSNCTAWIKRLFH-UHFFFAOYSA-N 368.231 1.509 0 40 FDAB COc1ccccc1C(C)(C)n1cc(C(C)(C)NS(C)(=O)=O)nn1 656436561 MNQNLQIHVGTZQF-UHFFFAOYSA-N 352.460 1.854 0 40 FDAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 391819410 NQTKWEGBRHWLDT-BDAKNGLRSA-N 360.819 1.313 0 40 FDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)CCc3cncnc3)CC2)C1 585101006 SQDRWKQPXGJDDT-INIZCTEOSA-N 360.458 1.332 0 40 FDAB CC(C)N(C)CC(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1 585110598 DOHJGZWNYWBJKN-UHFFFAOYSA-N 361.490 1.024 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1cccc(CN2CCCCC2)c1 644059678 CHDYLIDCSDQZPC-HXUWFJFHSA-N 359.470 1.779 0 40 FDAB C[C@H]1CCCN(CC(C)(C)NC(=O)c2cnc(N3CCOCC3)nc2)C1 12203245 SBCADOWVJYDPCL-HNNXBMFYSA-N 361.490 1.554 0 40 FDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1ccc2c(c1)OCO2 13806202 NICMCTQJYRNTSR-UHFFFAOYSA-N 363.373 1.955 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 16480531 OPCOXSBXDWIUQF-UHFFFAOYSA-N 352.866 1.944 0 40 FDAB NC(=O)C1CCN(C2CN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 575607661 VQLNMGPZXYSTKN-UHFFFAOYSA-N 355.360 1.727 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sccc2C(N)=O)n1 11443327 BIAKGZRVFJRZSF-UHFFFAOYSA-N 352.441 1.614 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(F)ccc2F)C1=O 5449292 MTAUUJSWIIYQHH-UHFFFAOYSA-N 368.336 1.801 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCCc3ccc(F)cc3)nc2n1 6056952 VPVPOOOBXJVASK-UHFFFAOYSA-N 371.372 1.396 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)cn1 1888843284 WOIDEGCQAZFWQH-TXEJJXNPSA-N 366.347 1.437 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)c3ccncc3F)CC2)nc(O)c1F 1888846794 SJGYTYDWJJQUIU-UHFFFAOYSA-N 363.368 1.941 0 40 FDAB Cc1nnc(N2CC(NC(=O)C3(c4ccccc4)CCOCC3)C2)s1 1888852978 FTUSMPOENPQFDP-UHFFFAOYSA-N 358.467 1.900 0 40 FDAB Cc1ccsc1S(=O)(=O)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1260064809 RYZWANPDBSBMTH-CHWSQXEVSA-N 350.469 1.603 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CCCN(Cc4ccccn4)C3)CC2)n1 1565542136 UHKPHAGUUWDOLE-UHFFFAOYSA-N 354.458 1.729 0 40 FDAB CN(C(=O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 3893287 MAVXCASOTLOARK-NSHDSACASA-N 362.245 1.473 0 40 FDAB Cc1nc(SCC(=O)Nc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138751 OOFRSBPXCLFHMV-UHFFFAOYSA-N 371.422 1.066 0 40 FDAB O=C1C[C@H](NS(=O)(=O)c2cccnc2)CN1c1ccc(Cl)cc1 4303443 RQIQCAXWICPZEL-LBPRGKRZSA-N 351.815 1.819 0 40 FDAB C[C@@H]1CN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)C[C@@H](C)O1 9661299 DDUMADGJYDMULI-ZIAGYGMSSA-N 366.421 1.925 0 40 FDAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10963926 HSYWOKIZJYQKTG-UHFFFAOYSA-N 356.361 1.677 0 40 FDAB COCCN1C(=O)CCC12CCC(NC(=O)c1cc(OC)no1)CC2 2055819372 VATVIXGWPANXMZ-UHFFFAOYSA-N 351.403 1.363 0 40 FDAB CCN1CCN(CCCNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 22590039 OPLLDMITQUBIJF-QGZVFWFLSA-N 373.501 1.119 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)C2CC2)CC1 42383995 KVYNZQNBJRAIEX-QHHAFSJGSA-N 364.423 1.065 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(-c3ccco3)[nH]n1)C2 585150305 LNNWLMFTQQMZQQ-LBPRGKRZSA-N 352.398 1.813 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccco4)nc32)c1 5271200 FNBXKEZDEGCVSN-UHFFFAOYSA-N 351.322 1.476 0 40 FDAB COC(=O)Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1 12440421 MWBZSEMOCPGHHT-UHFFFAOYSA-N 361.427 1.608 0 40 FDAB CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H](c2ccccc2)C1 30030003 MJLBFBMRULYOLH-IBGZPJMESA-N 362.433 1.912 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)N2CCCC2)CC1 40108679 QXJBWIAHSOBLPE-UHFFFAOYSA-N 369.429 1.529 0 40 FDAB Cc1nc2nc(-c3cccs3)nn2c(O)c1[C@@H]1CCS(=O)(=O)C1 40154894 YQJVYNDKDPIQBL-SECBINFHSA-N 350.425 1.769 0 40 FDAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 102528460 PKPCMZGWINLNAW-BBRMVZONSA-N 359.426 1.305 0 40 FDAB COc1cc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)ccn1 32905188 LEWHEGLQUIUVEB-UHFFFAOYSA-N 363.439 1.112 0 40 FDAB O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NN1CCOCC1 2770835 KEBFEXVFJLNBBO-UHFFFAOYSA-N 352.744 1.796 0 40 FDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 22203207 FHDVRUDDUFMLAY-UHFFFAOYSA-N 359.367 1.376 0 40 FDAB CC[C@@H]1SC(NC(=O)COc2ccc(N3CCCC3=O)cc2)=NC1=O 78968292 DXOPZKYXXWADGV-ZDUSSCGKSA-N 361.423 1.716 0 40 FDAB Cn1c(=O)c2cc(C(=O)NCCc3cccc(Cl)c3)cnc2n(C)c1=O 22529622 CTNILZHFDOBSDU-UHFFFAOYSA-N 372.812 1.258 0 40 FDAB CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O 800351 YLGIIVBDSLVWDR-BBIVZNJYSA-N 359.039 1.619 0 40 FDAB biogenic,in-vitro Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1 23519207 RLESZGNORPWCQQ-UHFFFAOYSA-N 353.334 1.411 0 40 FDAB COCc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)oc2ccccc12 24776200 AMKVSJJYRBIWPN-UHFFFAOYSA-N 366.439 1.687 0 40 FDAB C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 55683271 UKNVYDNXTBAYPC-MGPQQGTHSA-N 352.456 1.673 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)nc2)cc1OC 26676531 XAEASYRTBAHVHX-UHFFFAOYSA-N 371.437 1.908 0 40 FDAB CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12604848 GSHQVSSRWZSJNO-UHFFFAOYSA-N 360.395 1.407 0 40 FDAB CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 20717627 QHSXTCKYVOWPIT-LBPRGKRZSA-N 351.834 1.581 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)NC1CCN(C(=O)C2CC2)CC1 48265296 CWRZYPBBSSNYMT-OAHLLOKOSA-N 359.426 1.527 0 40 FDAB CCCCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20489539 TXSHACCVSAJNMP-UHFFFAOYSA-N 354.472 1.769 0 40 FDAB Cc1csc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)n1 45356343 FIFIHRGQFIZSTL-UHFFFAOYSA-N 372.458 1.160 0 40 FDAB NC(=O)N[C@@H](CC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 11188260 LBVCOJSSRNENKX-AWEZNQCLSA-N 359.455 1.591 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12899260 JZHCGUHIFVMPTF-UHFFFAOYSA-N 371.422 1.770 0 40 FDAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)NCc1cccs1 3596643 UTNBOKMHQSNOCT-OAHLLOKOSA-N 357.435 1.918 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCC(C)CC1 12986677 CATIYNXGGWWZAI-INIZCTEOSA-N 351.472 1.136 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccs3)CC2)c1 24366925 ONVQZDKGVIDFCR-UHFFFAOYSA-N 367.452 1.441 0 40 FDAB COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)c3ccc[nH]3)C2=O)cc1OC 6580532 NANSTVGMPUHYQM-IBGZPJMESA-N 371.393 1.768 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1n[nH]c(=O)c2ccccc12 9218828 SXOYUGHHIKAXPL-UHFFFAOYSA-N 351.362 1.667 0 40 FDAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 5797890 XLUHUWXVTJPAHM-GOSISDBHSA-N 372.381 1.787 0 40 FDAB CNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3cncn3)cc2)ccc1C 15583549 ZGAMMQBENDFOKY-UHFFFAOYSA-N 371.422 1.736 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NCCc3nnc4ccccn34)cnc12 16491459 YIMAVMIZSCPGFV-UHFFFAOYSA-N 362.393 1.107 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)N1 70076842 IIBLPZYDXJDQQT-IUCAKERBSA-N 351.241 1.959 0 40 FDAB Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)c3ccco3)nn2)n1 8753350 REWGCCXLJDVYNL-UHFFFAOYSA-N 357.395 1.921 0 40 FDAB C[C@H]1CCN(C(=O)C(C)(C)CCC(=O)N2CC[C@@H](C)[C@@H](O)C2)C[C@H]1O 89419320 MGDPADAEIWZPLV-FXUDXRNXSA-N 354.491 1.251 0 40 FDAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 20152478 APRLCLBSHVZTTO-UHFFFAOYSA-N 358.375 1.918 0 40 FDAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)c1 408554801 UMWLVTMGOKRDEU-UHFFFAOYSA-N 371.393 1.706 0 40 FDAB Cc1ncsc1CN1Cc2ccnn2[C@H](CNS(=O)(=O)C2CC2)C1 306131145 JXUQDUHNUUMLLB-CYBMUJFWSA-N 367.500 1.287 0 40 FDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2 520277764 UIQIAUIOCWZJHR-NSHDSACASA-N 371.363 1.073 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2ccc3nccn3c2)[C@@H]1c1nccn1C 551979348 BJQTUYIFZVZNDF-XJKSGUPXSA-N 352.398 1.017 0 40 FDAB COCCNC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 35315555 SSYLPQFGOJUTAR-UHFFFAOYSA-N 362.777 1.005 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 73480190 NMRLROHIESADDE-UHFFFAOYSA-N 360.454 1.934 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1 70971742 GWPSWYDFXQYLOG-UHFFFAOYSA-N 368.455 1.162 0 40 FDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 223286201 SYBVOGGPWAREBY-KPKJPENVSA-N 360.435 1.933 0 40 FDAB CNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225878894 SMROHGFQBIEKJK-UHFFFAOYSA-N 350.492 1.610 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)c2ccccc2)o1 40320523 UIRXUFJFAUUTHM-NSHDSACASA-N 369.420 1.029 0 40 FDAB CCOc1ccc([C@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 40071118 DISFUJJIKWSRFI-DZGCQCFKSA-N 354.472 1.381 0 40 FDAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)CC3CC3)C2)C1 96225338 OMRXNDGIHOBJQL-LJQANCHMSA-N 356.426 1.635 0 40 FDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COc3ccccn3)C2)n1 96209403 UAGIAVMZONAORI-CQSZACIVSA-N 352.398 1.363 0 40 FDAB Cc1nnc(N2CC[C@@]3(C[C@H](NS(=O)(=O)C4CC4)CCO3)C2)s1 96218638 IKKIHCQKTPBJPJ-BXUZGUMPSA-N 358.489 1.056 0 40 FDAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](n4cc(C(=O)O)nn4)C3)ccc2O1 581261384 KIXCTZGKOBQOHM-RISCZKNCSA-N 356.382 1.777 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccnc1C(=O)O 581882510 YXNVWMYRZRIADA-UHFFFAOYSA-N 364.379 1.719 0 40 FDAB Cc1cccc(CN2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)n1 247896962 XWGPBVBZNQJASK-KRWDZBQOSA-N 359.470 1.620 0 40 FDAB COc1ncccc1CN1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 248036198 UTGCANOUPQILRJ-KRWDZBQOSA-N 358.442 1.381 0 40 FDAB Cc1nccc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)n1 257283281 OXQMZDMKVFSWRE-INIZCTEOSA-N 355.442 1.720 0 40 FDAB N[C@]1(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516527 TWTUOGGRWFLNNV-ZMSDIMECSA-N 361.375 1.137 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H]3NCCC[C@@]32C)nc(N2CCOCC2)n1 257337870 YUTYTJVVFUGJRS-APWZRJJASA-N 359.474 1.368 0 40 FDAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H]1O 257266945 MFGMZLIPPSTEEZ-IIAWOOMASA-N 367.457 1.577 0 40 FDAB Cc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ns1 278125933 YSEBPKNOULUITF-UHFFFAOYSA-N 368.466 1.935 0 40 FDAB COc1ccc(CNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 36589770 TWZCTMHQBJAZRB-MRXNPFEDSA-N 353.378 1.452 0 40 FDAB biogenic CNC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cn1 619294177 VNGYIXIZBCRQKT-BLLLJJGKSA-N 357.414 1.072 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)O)c1 647927456 OWTZGOMVYCBEGY-MRXNPFEDSA-N 355.412 1.534 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12 575616945 OOPVELNVYRMMGW-CQSZACIVSA-N 361.467 1.549 0 40 FDAB Cn1ccc(CC(=O)N2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)n1 585113557 QHGVWIITEQQXFB-LJQANCHMSA-N 355.442 1.113 0 40 FDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N[C@@H]1CCCNC1=O 586865841 KGDJFFCEJJMMFM-OAHLLOKOSA-N 353.426 1.439 0 40 FDAB Cc1nnc2c(N3CCC(S(=O)(=O)c4ccccc4)CC3)nccn12 1776007712 ARGCEZVVUAVCBX-UHFFFAOYSA-N 357.439 1.875 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 96098236 INJLEEQJOIONPY-UHFFFAOYSA-N 351.877 1.846 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CC(Oc2nccs2)C1 218797390 SNYBWISWNCPSRJ-UHFFFAOYSA-N 360.438 1.443 0 40 FDAB COc1ccc(Cl)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 5553277 YQEAWADGGJUKHM-UHFFFAOYSA-N 368.842 1.969 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(F)cc2)NC(=O)N[C@@H]1C 5633854 UMCCJWWVBJLYEM-SNVBAGLBSA-N 350.346 1.430 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085972 QIZZIWSJXBYETA-ORAYPTAESA-N 358.442 1.464 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccccc2)[C@@H](C)N1C(=O)N1CCOCC1 13119413 ONXOGCHUQUXFAR-UONOGXRCSA-N 353.444 1.180 0 40 FDAB Cc1cnc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cn1 13227782 PVOZDIYYNGCAQF-UHFFFAOYSA-N 360.439 1.603 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C(=O)O1 19460907 GCAIMBFJKKPJLA-AWEZNQCLSA-N 372.469 1.560 0 40 FDAB CN(C)c1ccc(CCNC(=O)Cn2ncc3ccccc3c2=O)cc1 19656503 OEWVCPPXDCIKJU-UHFFFAOYSA-N 350.422 1.821 0 40 FDAB CC1(NC(=O)c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)CCC1 19705793 QCXULILDNUGZLR-AWEZNQCLSA-N 351.472 1.893 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O 4477251 CLTCDRBDOOGFJB-SFHVURJKSA-N 360.414 1.326 0 40 FDAB C[C@@H](NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 5213355 UJEHZWVFZSMGRA-BMFZPTHFSA-N 372.421 1.582 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(Br)cc1 6326155 XMYLDQDBOBKCIF-VIFPVBQESA-N 373.203 1.605 0 40 FDAB Cn1cnc(C(=O)N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1 1888890964 XHNORJDJAZMXOL-LBPRGKRZSA-N 367.413 1.276 0 40 FDAB Cc1cccc(F)c1C(=O)NC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CO1 1565550159 RUMANNZPHVDXPT-ZDUSSCGKSA-N 370.388 1.455 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CCCN(c2ccc3nncn3n2)CC1 1565520851 VECJKTVJDYXTNP-UHFFFAOYSA-N 354.389 1.545 0 40 FDAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccs1 9660991 VXYSZXMMYUGNRX-UHFFFAOYSA-N 361.448 1.950 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cnn(C)c2C)CC1 2055750819 BDGARCBZBQKKCP-UHFFFAOYSA-N 371.485 1.930 0 40 FDAB O=C(C1CCOCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782261 XBORCCICSQWBGE-UHFFFAOYSA-N 360.458 1.154 0 40 FDAB Cc1cc(N2C[C@@H]3CN(C(=O)COCc4ccccc4)C[C@H]3C2)ncn1 1775975600 KDFSHCAFABHDGG-QZTJIDSGSA-N 352.438 1.896 0 40 FDAB C[C@@H]1CN(S(=O)(=O)C2CC2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 503809718 AKQOZVKNUIURLE-FRFSOERESA-N 356.488 1.361 0 40 FDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 5188770 RLWRFUMOJYUGIT-UHFFFAOYSA-N 368.436 1.055 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(OCc2ccncc2)c1 32916051 YBTKWWJVYWKBNG-UHFFFAOYSA-N 352.350 1.149 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 101359647 DJQTYOPQIZTKNN-JEWRLFTDSA-N 357.362 1.093 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc3c(c2)OCCO3)=NN1c1ccccc1 32770798 DCCNUGLTKYBKLC-HNNXBMFYSA-N 366.377 1.517 0 40 FDAB COc1ccccc1CN(C)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 32850714 JUKHOJWZLMWTQB-UHFFFAOYSA-N 353.378 1.357 0 40 FDAB Cc1nc(CSc2ccc(C(=O)NCCS(N)(=O)=O)cc2)cs1 32937088 PQDSIXWILDHSJO-UHFFFAOYSA-N 371.509 1.762 0 40 FDAB Cc1cc(F)ccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12229693 ZVSHHKGGNHBNDM-UHFFFAOYSA-N 374.416 1.934 0 40 FDAB CCN(CCNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1C 46992488 JEAICISSECXEOJ-UHFFFAOYSA-N 368.441 1.081 0 40 FDAB O=C(COc1ccccc1)Nc1nnc(S(=O)(=O)N2CCCC2)s1 6817903 JNSYCGMVOILUNG-UHFFFAOYSA-N 368.440 1.340 0 40 FDAB Cn1nc(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 2922871 MZUVFLIDDBCWJJ-CYBMUJFWSA-N 365.389 1.432 0 40 FDAB O=C(Nc1ccc2c(c1)CCC2)N1CCN(C(=O)C(=O)N2CCCC2)CC1 47351070 FSTBTQCKIJQUQL-UHFFFAOYSA-N 370.453 1.474 0 40 FDAB NC(=O)Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CC1 23350450 LPLPQFHIKCQRSL-UHFFFAOYSA-N 367.381 1.650 0 40 FDAB CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 42635513 VUVAIFVHLZQULZ-UHFFFAOYSA-N 360.435 1.722 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@H]12 108526055 QVMZBYBDKZFPSQ-GVDBMIGSSA-N 350.484 1.880 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@H](c3ccco3)N(C)C)c(O)nc2c1 24939730 IJDOAZJFHUEIHQ-CQSZACIVSA-N 357.366 1.785 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N[C@H]3CCOc4ccccc43)cc2N1 26112577 WXKXIRMBKVXXID-ZDUSSCGKSA-N 360.391 1.820 0 40 FDAB NC(=O)[C@@H](OC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1 24212693 OSOOHCDENYCLIA-KRWDZBQOSA-N 352.346 1.873 0 40 FDAB O=C(Cc1nn(CCO)c(=O)c2ccccc12)OCc1cccc(F)c1F 72312583 OCBXYKNPOJZJON-UHFFFAOYSA-N 374.343 1.953 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NC1CC1 12743552 LWBUILHBTUEDDY-SWLSCSKDSA-N 368.455 1.200 0 40 FDAB CCN(CCc1ccccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 58218719 NUSKLURDVOFZQG-AWEZNQCLSA-N 358.891 1.508 0 40 FDAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 110509563 HMPWQBQXHZINPD-HNNXBMFYSA-N 368.499 1.977 0 40 FDAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(NS(C)(=O)=O)CC1 10666966 HRECUDJCYNNHJC-UHFFFAOYSA-N 365.430 1.836 0 40 FDAB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)[C@H]3CCCO3)nc2N1 2413128 PPIBKJLRFYZDKL-NWDGAFQWSA-N 361.789 1.981 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1 3484442 JJCWDOWOFIEISK-UHFFFAOYSA-N 361.427 1.777 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc4c(cc3Cl)OCO4)cnc21 9732424 OQALDCBMBRSFRQ-UHFFFAOYSA-N 361.745 1.151 0 40 FDAB CN1[C@@H](Cc2ccc3c(c2)OCCO3)[C@H](O)c2ccccc2S1(=O)=O 9048277 LTFTYGGDCIIJQM-KBXCAEBGSA-N 361.419 1.737 0 40 FDAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)O 71328799 WXRNNMRRXOHEKM-OAHLLOKOSA-N 361.373 1.665 0 40 FDAB COc1cccc(CNC(=O)CSc2nc3ccccc3c(=O)n2N)c1 71327505 CXPRSBYEACIKMV-UHFFFAOYSA-N 370.434 1.527 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCCO1 16655110 VNUGQOVBCUKVLQ-HNNXBMFYSA-N 361.398 1.085 0 40 FDAB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@H]12 8744332 CIGFYRKJIWKRFM-KXBFYZLASA-N 355.463 1.994 0 40 FDAB CN1CCN(c2ccccc2NC(=O)N[C@]2(C)CCS(=O)(=O)C2)CC1 75109208 DSBPDVZLVQEWDN-QGZVFWFLSA-N 366.487 1.137 0 40 FDAB COC(=O)c1c(O)c2cc(I)cnc2n(C)c1=O 118891410 QWYFUWYQYDPKST-UHFFFAOYSA-N 360.107 1.030 0 40 FDAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 408592941 KYSKVKPFBXNKNL-UHFFFAOYSA-N 352.416 1.820 0 40 FDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945877 OIGCDNFNLHLUFP-INIZCTEOSA-N 374.416 1.144 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1-n1cnnn1 36569612 IOVPMJIJEPVPLD-OAHLLOKOSA-N 369.356 1.316 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 73742978 IZZZRQNDCXWYPX-CYBMUJFWSA-N 354.248 1.988 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC 218357016 LJHKWHVPSLWWPI-ZIAGYGMSSA-N 372.414 1.839 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)[C@@H]3CCc4[nH]c(C)nc4C3)CC2=O)cc1 225522111 KLUWYNCBQMFSKD-ZIAGYGMSSA-N 368.437 1.753 0 40 FDAB CC(=O)c1c[nH]c(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 40039155 PCIPFJQYIJUCGP-KRWDZBQOSA-N 354.410 1.202 0 40 FDAB COc1ccc([C@H](CC(=O)NCCCOC(C)C)NS(C)(=O)=O)cc1 225957180 PMQNLSSTRGUPCO-INIZCTEOSA-N 372.487 1.607 0 40 FDAB CC(C)CN1C[C@@H](C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)CC1=O 570775844 XRENUWASEZBPLJ-YOEHRIQHSA-N 360.410 1.368 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)Cn2cnc3ccccc32)C1 225805924 ITNHZVBLZQEGPP-ZDUSSCGKSA-N 353.382 1.515 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)cc1C(=O)O 572239690 FXEISCGHCXIBKP-OAHLLOKOSA-N 369.439 1.973 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCNC2)C1=O)Nc1ccc(F)c(Cl)c1 576036110 JUGPVJDTRSQPSH-HNNXBMFYSA-N 354.769 1.092 0 40 FDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(C)=O)CC3)cc2)C1 45957328 BUIHESCDFQZEFN-OAHLLOKOSA-N 359.426 1.271 0 40 FDAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCc1ccco1 227151073 ZWHKZXLWAYRHAY-UHFFFAOYSA-N 352.412 1.511 0 40 FDAB C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915264 PIQUFCJOYRWLPG-OAHLLOKOSA-N 358.413 1.894 0 40 FDAB CC(C)CN1CC2(CN(Cc3cccc(C(=O)O)c3)C[C@@H]3C[C@@H](O)CN32)C1 514289506 MVPIUQZSOPCQDC-RBUKOAKNSA-N 373.497 1.346 0 40 FDAB biogenic,in-vitro O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1cnc2ccccc21 96345009 SAXJMDHXSSWYRE-UHFFFAOYSA-N 351.410 1.288 0 40 FDAB CCn1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1 249687133 HEWOWOKXSSJXCD-RCCFBDPRSA-N 355.442 1.175 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CC2(O)CCCCC2)C1 257284633 PDOVGLSJCYYMKS-GFCCVEGCSA-N 355.460 1.214 0 40 FDAB O=C1NC[C@H](C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c2ccccc21 1638882105 ISGSTBPRZFYSOI-IRXDYDNUSA-N 361.405 1.732 0 40 FDAB Cn1cc([C@H](O)C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cn1 1653503082 BJRHTRWEFYCPPI-KRWDZBQOSA-N 372.812 1.956 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643903215 GVFLFQWPALKAFT-OAHLLOKOSA-N 357.414 1.082 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(N(C)C(C)C)c1 666041106 GLLZXMCWTDPBMF-HUUCEWRRSA-N 355.460 1.465 0 40 FDAB O=C(N[C@@H]1CCOC2(CCN(C(=O)Cc3ccccn3)CC2)C1)C1CC1 585102384 DZVKIQWBMCSXCF-QGZVFWFLSA-N 357.454 1.691 0 40 FDAB O=C(c1csnn1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110428 TZMQYQSLKMZMEG-UHFFFAOYSA-N 369.454 1.776 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 585112627 UOKMVHUFPWZHCQ-INIZCTEOSA-N 373.482 1.861 0 40 FDAB C[C@H]1CCCN(C[C@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C1 585104832 UAELPUBIUXSCRY-JKSUJKDBSA-N 361.490 1.558 0 40 FDAB Cc1ccc2ncc(C(=O)NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)n2c1 685942197 GTXXBTUIAKYXNI-GZBFAFLISA-N 354.414 1.056 0 40 FDAB Cc1cnc(OC2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)nc1 1776007938 NJVWZERIJNKOPA-UHFFFAOYSA-N 369.425 1.289 0 40 FDAB CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 80303568 CVLPXGVYEISZHM-HNNXBMFYSA-N 364.515 1.106 0 40 FDAB Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 568256845 KXBXPOPAHNAMHN-DOTOQJQBSA-N 367.453 1.648 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1 888107223 BCJWSJRJBVNWSX-UHFFFAOYSA-N 357.428 1.073 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 5543766 GOQAODGEMIJTDA-DHSIGJKJSA-N 362.382 1.448 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H](c3cc(O)nc(N4CCOCC4)n3)C2)cn1 12367251 QKTFOHZHMKRMRF-HNNXBMFYSA-N 369.425 1.352 0 40 FDAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 12362094 KCSLLCIIFQTQHD-ZDUSSCGKSA-N 365.455 1.008 0 40 FDAB O=C(O)C[C@@H]1CCN(C(=O)c2ccco2)C[C@@H]1CCN1CCOCC1 12481224 SETKQPGKKQGFHJ-GJZGRUSLSA-N 350.415 1.555 0 40 FDAB biogenic,in-vitro CN1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2cnccn2)no1 12529702 IEAKAXPORPIFER-JSGCOSHPSA-N 351.370 1.097 0 40 FDAB biogenic,in-vitro C[C@H](Sc1nc2ccccc2o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14137740 HPNCCPXAHFLNBL-WDEREUQCSA-N 354.453 1.954 0 40 FDAB O=C(c1cccc(F)c1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19293586 NZOOQGPFALXJAY-CYBMUJFWSA-N 355.329 1.879 0 40 FDAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccn1 19749294 FLNIUPDAQIPLLS-HNNXBMFYSA-N 368.437 1.747 0 40 FDAB Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)C3(C)CC3)CC(=O)N2C(C)(C)C)cn1 657027777 LZMVHVTXJQOSMR-DOMZBBRYSA-N 368.503 1.580 0 40 FDAB COC1=C(OC)/C(=C/[C@H]2CCC=C[C@@]23OC(=O)C(OC)=C3OC)OC1=O 13398504 ZOUXPJZALDSSRK-DDOSHGFQSA-N 364.350 1.698 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 3522889 UDOREUIBHOGTCE-UHFFFAOYSA-N 362.386 1.493 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 5220168 LKXHGEFTKPRZLI-UHFFFAOYSA-N 363.345 1.684 0 40 FDAB CN(C)CC(=O)N1CCC[C@@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840115 HGVQTZAFPQDJSF-LJQANCHMSA-N 363.433 1.502 0 40 FDAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)Cn2nc(C)ccc2=O)C1 2037915990 FTIAWOLDXXWNIR-FQEVSTJZSA-N 371.437 1.638 0 40 FDAB CC(=O)N1CCN([C@H]2CCC[C@H](Oc3ccccc3)[C@@H]2O)C[C@@H](CO)C1 2037957026 RVKXTPPVGCDMHB-FRYIKTPZSA-N 362.470 1.120 0 40 FDAB O=C(CN1CCC[C@]2(CCCN(C(=O)c3cncnc3)C2)C1)N1CCCC1 2056224858 ZTOHVYIBCJAPHM-FQEVSTJZSA-N 371.485 1.417 0 40 FDAB O=C(/C=C/c1cccs1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 1614946304 AQQDFBFOELUPGP-RDFMZFSFSA-N 354.439 1.908 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1614927479 UJIOHBYUMQFKLY-MRXNPFEDSA-N 361.490 1.769 0 40 FDAB CO[C@@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@]12C[C@H](C)C(=O)O2 257550479 TZPKEJFBTXRNTK-RVTSROKXSA-N 351.443 1.902 0 40 FDAB biogenic O=C(CC1(O)CCC1)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 1565555867 IAGNTWOIPWMQPO-UHFFFAOYSA-N 357.454 1.728 0 40 FDAB Cc1nc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cs1 1565554473 SAVPVGDYLWFFJC-SFHVURJKSA-N 371.466 1.410 0 40 FDAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccc(Cl)cc1 4495809 ZXNNQZRONHPDKU-UHFFFAOYSA-N 355.803 1.902 0 40 FDAB O=C(NCc1ccco1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315293 YCTSHPHJJZRYRN-UHFFFAOYSA-N 363.395 1.074 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@]3(CCCN(c4nncs4)C3)C2)cn1 2055824373 JUQRCAGSOKHWLT-QGZVFWFLSA-N 359.455 1.753 0 40 FDAB Cc1ccc(=O)n(CC2CCN(C(=O)c3cccc4c3OCCO4)CC2)n1 585503432 REXCVEACJHAZDY-UHFFFAOYSA-N 369.421 1.875 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)NCCO2 9172151 DGLGHGDIEGXLTR-UHFFFAOYSA-N 365.345 1.044 0 40 FDAB C[C@H](O)CN(C[C@@H](C)O)C[C@@H](O)COc1ccccc1Br 106220063 UACNSABIGZXIHA-FRRDWIJNSA-N 362.264 1.252 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 20111480 XJZSATTZQVGMJD-KRWDZBQOSA-N 360.435 1.573 0 40 FDAB Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3nncs3)CC2)s1 51098261 CJAAFNGYPTXHNF-UHFFFAOYSA-N 365.484 1.741 0 40 FDAB Cc1cc(O[C@@H](C)C(=O)NCCN2CCOCC2)c2c(C)cc(=O)oc2c1 20546792 HRHQJDXLUOOHCB-HNNXBMFYSA-N 374.437 1.626 0 40 FDAB COC(=O)c1nnsc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 20724037 CTKYKVDEWPQETL-QMMMGPOBSA-N 364.358 1.455 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1 32440087 SKWOLFVVIGXAND-UHFFFAOYSA-N 360.501 1.689 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 32854958 OSVSBTFQNRHPLA-UHFFFAOYSA-N 354.771 1.968 0 40 FDAB CC(C)Cc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1 21746796 FUPRKWHKJVCLQM-UHFFFAOYSA-N 358.427 1.870 0 40 FDAB Cc1nn(CCC(=O)N[C@H](C)CN2CCOCC2)c(C)c1Br 22289118 XTGUXCJSCGDLNM-LLVKDONJSA-N 373.295 1.489 0 40 FDAB COC(=O)c1ccc(N(C)CCc2cnc3nc(N)nc(N)c3n2)cc1 1722088 MTNQZLFNTPMEKT-UHFFFAOYSA-N 353.386 1.050 0 40 FDAB CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ccc2nnnn2n1 53583727 GLKGJZXOCDNCNQ-JTQLQIEISA-N 368.319 1.414 0 40 FDAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1cccnc1Cl 3551278 KOSOMAUNRJNSGX-UHFFFAOYSA-N 358.745 1.506 0 40 FDAB COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCC(N)=O 7602724 FUMCOQJLAMQFOE-UHFFFAOYSA-N 357.823 1.519 0 40 FDAB CSCC[C@H]1NC(=S)N(c2cccc(CN3CCOC3=O)c2)C1=O 55179032 DSOVFPFFDZURDP-CYBMUJFWSA-N 365.480 1.982 0 40 FDAB Cn1c(=O)ccn(CC(=O)N(Cc2cccs2)c2ccc(F)cc2)c1=O 55726630 VIRPZYKUFFLXPI-UHFFFAOYSA-N 373.409 1.981 0 40 FDAB CCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(-n3cncn3)c2)c1 55998942 GKYANROAWWNTTC-UHFFFAOYSA-N 350.382 1.973 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12567144 DTRMXFMBYKTNBQ-STQMWFEESA-N 356.378 1.753 0 40 FDAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3297187 DCRNUWJKXROKLI-UHFFFAOYSA-N 351.413 1.110 0 40 FDAB CCN1CCN(c2ccccc2NC(=O)N[C@H](C)CN2CCCC2=O)CC1 58404595 NUZVGWCDCTZKIJ-MRXNPFEDSA-N 373.501 1.961 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCCC1 36384043 DJLCUJVQBDGPKH-UHFFFAOYSA-N 371.528 1.457 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)CC1 100743184 ZPRDUDWITAIYKK-BETUJISGSA-N 369.425 1.729 0 40 FDAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 36431232 RQRRHYDMFANIFT-INIZCTEOSA-N 372.513 1.497 0 40 FDAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)C(C)C)CC1 36411656 WVPQKJALBXUUHK-UHFFFAOYSA-N 367.471 1.664 0 40 FDAB CC(=O)c1nnc(-c2ccccc2)n1Nc1ccc(S(N)(=O)=O)cc1 36649175 BHEOPBHHXLNASK-UHFFFAOYSA-N 357.395 1.670 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCn3nccc3C)c12 36619375 FTMMBLFXKZYBPG-UHFFFAOYSA-N 365.397 1.867 0 40 FDAB Cc1nc(CN2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cs1 28959299 VZUJDQDCHNAUHH-UHFFFAOYSA-N 372.494 1.916 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)N2CCOCC2)c1C 22510916 GLWSJFPETSQTIC-OAHLLOKOSA-N 365.474 1.895 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCO[C@@H](C)c1ccccc1 36701007 VTQJAUIXPAMRLG-AWEZNQCLSA-N 359.426 1.588 0 40 FDAB COc1ccc(CCNC(=O)COc2cc(=O)n3ccccc3n2)cc1 23141351 XJFXAZFYSABKGI-UHFFFAOYSA-N 353.378 1.441 0 40 FDAB COc1ccc(-c2csc(NC(=O)[C@H](CC(=O)O)NCCO)n2)cc1 72334062 XAZLVBBSPMXVPF-LBPRGKRZSA-N 365.411 1.182 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 29332245 DAMQQCNQYRFXGL-UHFFFAOYSA-N 358.423 1.743 0 40 FDAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2nnc3n2CCCCC3)C1 97596683 CLRRXZCZYYHQPA-CYBMUJFWSA-N 363.462 1.878 0 40 FDAB CON(C)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 9156558 KQUZWYUOUXFSEH-UHFFFAOYSA-N 354.453 1.903 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)cc1 13636238 XGXYOHWMBXUWGT-AWEZNQCLSA-N 355.394 1.397 0 40 FDAB COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 14077395 VBVWLCHHNPNPBM-UHFFFAOYSA-N 353.378 1.466 0 40 FDAB COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2)cc1OC 65607263 WDUHMMTXNOGOQX-UHFFFAOYSA-N 353.371 1.891 0 40 FDAB O=C(COC(=O)c1cc2c(s1)CCCC2)N[C@@H]1CCS(=O)(=O)C1 6947208 QSGVECBJQIPJCK-LLVKDONJSA-N 357.453 1.087 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 4928177 WMRGWQHEOQYZJG-UHFFFAOYSA-N 367.383 1.135 0 40 FDAB CCC[C@@H]1CN(CC(=O)NCC(C)C)CCN1CC(=O)NCC(C)C 84740842 JNXWPHDZEUUPPQ-QGZVFWFLSA-N 354.539 1.317 0 40 FDAB CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 7701764 IPBCXPOAVHJYQE-UHFFFAOYSA-N 355.279 1.656 0 40 FDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)c2ccccc2O1 9531947 DIGONLHLMPDEHU-AWEZNQCLSA-N 354.334 1.406 0 40 FDAB O=C(C[S@@](=O)Cc1nnnn1-c1ccccc1)N1CCc2ccccc21 71801228 HXWTXDSOXNEWIY-AREMUKBSSA-N 367.434 1.500 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2nnnn2-c2ccccc2)no1 71801217 QQOGBDWVUXMHKH-NDHGSNPTSA-N 360.399 1.235 0 40 FDAB COCC[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(N)=O 95463324 QBXVFQWCEOCTMH-CQSZACIVSA-N 350.346 1.618 0 40 FDAB CCOC(Cn1cc(C(=O)NCc2cccc3c2OCO3)nn1)OCC 70004283 KHDHJMHCXKBCIS-UHFFFAOYSA-N 362.386 1.336 0 40 FDAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 61971837 HPULNXZMRXIIFI-UHFFFAOYSA-N 357.454 1.571 0 40 FDAB CC[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1c(C(=O)O)cnn1C 1548449155 UYJOVGDSMFVQLO-GFCCVEGCSA-N 355.391 1.557 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306130400 JFBZVXMZONESAK-HNNXBMFYSA-N 373.482 1.861 0 40 FDAB Cc1cnc(NC(=O)[C@H]2C(=O)c3ccccc3S(=O)(=O)N2C)s1 3825290 ZAHQBPYQBHTECE-LLVKDONJSA-N 351.409 1.276 0 40 FDAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)COc1cn(C)c(C)cc1=O)CC2 524732278 DTUKWGCRKWRFPG-HNNXBMFYSA-N 372.421 1.893 0 40 FDAB 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C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccccc1 9113856 UIQIXQYDOPQKLN-GFCCVEGCSA-N 351.362 1.785 0 40 FDAB Cc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1 4496026 ZLZOWZQDNGRUGS-AWEZNQCLSA-N 367.405 1.869 0 40 FDAB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NC(=O)NC)nc21 4509951 WZNOICVHOZWWRE-SECBINFHSA-N 358.427 1.936 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)c1ccc(Cl)cc1Cl 4606922 RHKFOAAMTFJHJW-UHFFFAOYSA-N 353.165 1.613 0 40 FDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CCCO2)c(=O)[nH]c1=O 6609300 YWFIIMAPZJNKKF-CYBMUJFWSA-N 366.462 1.477 0 40 FDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1Cl 15299020 IXTPRMSAAKPECZ-ZDUSSCGKSA-N 362.854 1.604 0 40 FDAB Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(C)(C)C)CC3)C2=O)n(C)n1 96002433 DMBKOWGHMCGXQI-HNNXBMFYSA-N 361.490 1.414 0 40 FDAB COCc1nc([C@H]2CCCCCN2S(=O)(=O)c2cccnc2)no1 96000620 IEGBSIKIARMHSE-CYBMUJFWSA-N 352.416 1.917 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 7296345 LACJCYQZKBPTRQ-CWTRNNRKSA-N 373.409 1.586 0 40 FDAB CCn1c([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n[nH]c1=O 67726676 AERXCERNFGEZJR-CQSZACIVSA-N 364.471 1.776 0 40 FDAB C[C@@H](O)c1ccc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)cc1 7541033 XSDGKEVGPALGKH-LLVKDONJSA-N 371.397 1.485 0 40 FDAB O=C(c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=O)[nH]c2c1)N1CCCCC1 67341835 HYHJJHZMJNTTHJ-AWEZNQCLSA-N 357.410 1.495 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccccn2)s1 16742994 AVWWNVKPPKKUDS-UHFFFAOYSA-N 368.436 1.275 0 40 FDAB CS(=O)(=O)c1cccc(Cl)c1CNCC1CCN(CCO)CC1 95462208 VSOVFGNJKMPMIV-UHFFFAOYSA-N 360.907 1.537 0 40 FDAB O=C(Cn1ccc2ccc(Br)cc21)N[C@H]1C=CS(=O)(=O)C1 20719252 IYCXFMBUICGUJR-LBPRGKRZSA-N 369.240 1.831 0 40 FDAB CCC(CC)C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961316 WFEGZYTWCKWSQY-KRWDZBQOSA-N 361.490 1.496 0 40 FDAB CCOc1ccccc1N1C[C@H](C(=O)NC2CCN(C(C)=O)CC2)CC1=O 95959435 CVVGVAYHHQYRPS-OAHLLOKOSA-N 373.453 1.565 0 40 FDAB O=C(NC1CCC(C(=O)O)CC1)c1nn(-c2cccc(F)c2)ccc1=O 95970501 ABOBVIXIICIINC-UHFFFAOYSA-N 359.357 1.745 0 40 FDAB CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccccc2OC)cn1 89978089 PKJAFBWDJXNYDU-UHFFFAOYSA-N 367.427 1.991 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@H](C)COC)ccc1OCC 408585366 FRVYAPMEMBTGTE-LLVKDONJSA-N 360.432 1.967 0 40 FDAB O=C1CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2N1Cc1ccccc1 67897441 PFVXXPZEJYFAEZ-MSOLQXFVSA-N 372.446 1.487 0 40 FDAB biogenic,in-vitro O=C(c1ccnnc1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306144204 YZBBDWBLCJUFIN-MRXNPFEDSA-N 354.410 1.710 0 40 FDAB COCCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O 409138124 YYSMPDGCWNZWQX-MDWZMJQESA-N 366.395 1.242 0 40 FDAB CCOc1ccccc1-c1nc(SCC(=O)N2CCN(C)CC2)n[nH]1 408557205 NPRNYNBMMANRQI-UHFFFAOYSA-N 361.471 1.737 0 40 FDAB CC(C)c1noc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 661181229 UZOGSMUWOXMNTE-GASCZTMLSA-N 354.410 1.810 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3S2(=O)=O)cs1 306128686 HIGRBFGYMICOFZ-BBRMVZONSA-N 364.496 1.493 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCO[C@H](c2ccccc2)C1 30766820 DPBRBSOAJWYMQI-KRWDZBQOSA-N 350.378 1.392 0 40 FDAB CCCn1cc(CNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)c(C)n1 44918247 XWVQUPZBWPJKBX-MRXNPFEDSA-N 369.425 1.052 0 40 FDAB COC(=O)CSc1nnc(NC(=O)COc2ccc(OC)cc2)s1 225093679 LFEXGZYENKXAOA-UHFFFAOYSA-N 369.424 1.829 0 40 FDAB Cn1cccc1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 85879456 XXFLZTVEYXJFJE-UHFFFAOYSA-N 352.394 1.376 0 40 FDAB biogenic Cc1cc(CNC(=O)Cc2c[nH]c3ccccc23)nc(N2CCOCC2)n1 224227324 MLSDQXVTPLEAHU-UHFFFAOYSA-N 365.437 1.962 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(c2ccc(Br)cc2)CC1 41907652 GGXDIPVUKCROLM-GFCCVEGCSA-N 358.257 1.784 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccncc1 75161903 XOIZVQMNRKWIOY-UHFFFAOYSA-N 361.409 1.846 0 40 FDAB O=C(NCc1nc(CN2C(=O)c3ccccc3C2=O)no1)c1cccs1 225525143 NWNHBUFQWPZARL-UHFFFAOYSA-N 368.374 1.857 0 40 FDAB Cc1cc(N2C[C@@H](C(N)=O)CC2=O)cc(C)c1I 45889762 JKGHEUZABRGWPX-VIFPVBQESA-N 358.179 1.746 0 40 FDAB Cc1cccc2ncnc(NC[C@@H]3CC(=O)N(C)[C@H]3c3nccn3C)c12 571468924 HYSOHNKGQAIDDE-SUMWQHHRSA-N 350.426 2.303 0 40 FDAB C[C@H]1CCCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 47110879 ULARLUOBBOMBEW-INIZCTEOSA-N 367.515 1.545 0 40 FDAB O=C([C@@H]1CCCS1(=O)=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 573624510 XRSYEVOPIMWXPC-HNNXBMFYSA-N 374.466 1.755 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1cccnc1)C2 96061959 OKOFBKBFWOQIQI-UHFFFAOYSA-N 364.409 1.203 0 40 FDAB C[C@H](NC(=O)Cn1cc(-c2ccccc2)ncc1=O)c1nnc2ccccn12 95480060 FJDZASQWZZIYAV-AWEZNQCLSA-N 374.404 1.830 0 40 FDAB CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 514289910 PXHGOFCTRZQZSN-RTBURBONSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro CS(=O)(=O)C[C@]1(c2ccc(Br)cc2)OC[C@H](CO)O1 96531626 HQOVZMQXQFBBDM-RYUDHWBXSA-N 351.218 1.054 0 40 FDAB CN(C)C(=O)CN1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 96159980 TVOGAHWGDBJLTE-WMLDXEAASA-N 353.488 1.619 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3ccncc3)C2)OC1 248113013 HWSAGCPPSYGLAK-QGZVFWFLSA-N 354.454 1.831 0 40 FDAB COc1ncccc1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 247839940 KMRINTYCXUJUFM-OAHLLOKOSA-N 369.421 1.933 0 40 FDAB CN(C)C(=O)CO[C@H]1CN(CCOCc2ccccc2)Cc2cccn2C1 248056843 YKPJUQVZJJNBLE-FQEVSTJZSA-N 371.481 1.994 0 40 FDAB O=C1CCCCCN1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257325089 WRKAOKJULBCCPZ-HZPDHXFCSA-N 350.390 1.179 0 40 FDAB CCOc1ccc2nnc(CNC(=O)c3cc(=O)c4ccccc4o3)n2n1 253406161 UGPYJHGHUIVPMX-UHFFFAOYSA-N 365.349 1.559 0 40 FDAB Cc1noc(C)c1-c1cccc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 257295184 QXHLFYQXCDIUIR-OAHLLOKOSA-N 366.443 1.533 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](O)c1ccc2c(c1)CCO2 85559282 WBXKHJBVUGGQOQ-OAHLLOKOSA-N 354.362 1.379 0 40 FDAB COCCn1nnc2ccc(NC(=O)CCCn3cccc3)cc2c1=O 604419751 XJJODSPSJPAKBV-UHFFFAOYSA-N 355.398 1.658 0 40 FDAB COc1ccc2cccc(CC(=O)N3CCC[C@@](O)(CC(N)=O)C3)c2c1 644004391 ILQRVMTWXRGVGF-HXUWFJFHSA-N 356.422 1.620 0 40 FDAB CCn1cc(C2CCN(C(=O)[C@@H]3Cn4c(C)nnc4CN3C)CC2)cn1 644358591 UQMWPCCQDNQTII-INIZCTEOSA-N 357.462 1.023 0 40 FDAB C[C@@H]1OCC[C@]12CN(S(=O)(=O)CCc1ccc(F)cc1)C[C@@H](C)O2 656976735 PYWZUADESLTYCC-KEYYUXOJSA-N 357.447 1.966 0 40 FDAB CCSc1ccccc1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097938 CTPYRHSZBBDGPX-UHFFFAOYSA-N 370.438 1.366 0 40 FDAB COc1cccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1F 655558396 QNGWEGFXYJRLML-UHFFFAOYSA-N 373.494 1.481 0 40 FDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cn(C)cn2)C3)n1 575406099 VQDNUBRQANEXQY-OAHLLOKOSA-N 371.441 1.609 0 40 FDAB CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccc(F)cc2)[C@@H](F)[C@H]1OC(C)=O 94986142 GAYQFRZPRAPSEZ-IXYNUQLISA-N 358.293 1.540 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)[C@H]1CCCOC1 547699069 ZBGVRKYAESLMOV-KKUMJFAQSA-N 365.453 1.344 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(F)cc1 12114460 KSASDCFUKIOMJL-VMZNBEPHSA-N 365.430 1.763 0 40 FDAB COc1ccc2c(c1)N[C@@H](C1CCN(C(=O)C(C)C)CC1)NS2(=O)=O 19085196 HHGKGCQWFLIKCJ-MRXNPFEDSA-N 367.471 1.620 0 40 FDAB CC(C)OCCN1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 19450454 UOUCPHSPFKUUTE-UHFFFAOYSA-N 357.458 1.509 0 40 FDAB CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19930708 OMOKFZJAIIQQII-UHFFFAOYSA-N 365.499 1.224 0 40 FDAB Cn1cncc1CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 643914634 UFUOAJOBCJKMGY-UHFFFAOYSA-N 354.520 1.836 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)NCCOCCn3cccn3)CC2=O)cc1C 575619736 MQNIRARXHNJBDR-QGZVFWFLSA-N 370.453 1.686 0 40 FDAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 36431230 RQRRHYDMFANIFT-MRXNPFEDSA-N 372.513 1.497 0 40 FDAB CCn1cc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 2037840434 MQTHGGCQXPAIBL-IBGZPJMESA-N 354.410 1.551 0 40 FDAB Cc1cncc(CN2C[C@@H](C(=O)NCc3ccon3)C3(CCOCC3)C2)n1 1615062847 KDEQWBBSHQVGQK-KRWDZBQOSA-N 371.441 1.318 0 40 FDAB CN1C(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2C1=O 4079202 LBWNEAIKGSRMCL-UHFFFAOYSA-N 363.329 1.147 0 40 FDAB COc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1OC 4272796 DIHFSKKMLQYBBM-UHFFFAOYSA-N 370.413 1.961 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)NCc2cccs2)c1 5301976 OANYMOPJBYENNJ-UHFFFAOYSA-N 354.453 1.606 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9708742 KCSPJPFAJGSPLL-UHFFFAOYSA-N 364.405 1.562 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2ccc(OC)cc2)CC1 2055772788 FAPHEBTWESTNPU-UHFFFAOYSA-N 372.469 1.646 0 40 FDAB COCCN1CCC(CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 23014086 VKUZQDSUIFCLFY-UHFFFAOYSA-N 366.458 1.801 0 40 FDAB CN(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101322940 DBVIGTPCPCYFFO-STQMWFEESA-N 358.485 1.262 0 40 FDAB O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2cccnc2)CC1 43807525 XNUVABDHQFWECQ-UHFFFAOYSA-N 351.350 1.161 0 40 FDAB NC(=O)[C@@H]1CCCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 40071610 ZGIRBZVAMGTPII-KRWDZBQOSA-N 362.449 1.204 0 40 FDAB CN1CCN(CCNC(=O)C[C@@H]2CSc3ccccc3NC2=O)CC1 20031582 STRQPYIMVQILAV-CQSZACIVSA-N 362.499 1.101 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nnc3ccccn23)C1=O 31738327 GGGRDGPEDPQBFI-LBPRGKRZSA-N 351.366 1.872 0 40 FDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(C(=O)c2cccs2)CC1 32718947 YSZMPYUXPOUBLY-UHFFFAOYSA-N 365.499 1.770 0 40 FDAB CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 21710438 UATQGEKCQWBLGP-ZDUSSCGKSA-N 353.444 1.046 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)O)CC1)O[C@@H](C)C(=O)N2 32918066 LYNHWVDKOHCFHE-JTQLQIEISA-N 368.411 1.200 0 40 FDAB CC(C)[C@@H](C(=O)NCCNC(=O)c1c(F)cccc1F)N1CCCC1=O 78673575 CXBDGUGSJRBMIS-INIZCTEOSA-N 367.396 1.458 0 40 FDAB CCOCCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O 22986939 CRZHMNCYVSWUKF-UHFFFAOYSA-N 368.231 1.702 0 40 FDAB Cn1ccnc1CN(C(=O)CCNS(=O)(=O)c1cccs1)C1CC1 54039121 LTWKQYNNJNZVTB-UHFFFAOYSA-N 368.484 1.341 0 40 FDAB Cn1c(=O)c2c(nc(NC[C@@H]3CCCO3)n2Cc2ccccc2)n(C)c1=O 838126 CVPIGXZTEWOBSI-AWEZNQCLSA-N 369.425 1.073 0 40 FDAB CCOC(=O)C1=C(COC(=O)C(C)C)NC(=O)N[C@H]1c1ccc(C)o1 23014474 CVQLPLGWLHUTDS-AWEZNQCLSA-N 350.371 1.958 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)c(C)c1 7604536 SOKIGHIYIAHUIY-UHFFFAOYSA-N 358.460 1.215 0 40 FDAB C[C@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@@H](C)O1 12564918 MOXUVVLEHWCXIS-PHIMTYICSA-N 351.472 1.774 0 40 FDAB COC(=O)C1(NC(=O)CCc2c(C)nc3ncnn3c2C)CCCCC1 25173450 YWIHXZHYPBLOAL-UHFFFAOYSA-N 359.430 1.666 0 40 FDAB NC(=O)CSc1nnc(SCc2nc(N)c3ccccc3n2)s1 9368040 SCAAUXHMNQWVAA-UHFFFAOYSA-N 364.481 1.933 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2cnn(C)c2)cc1 58178143 WPUOSQCRARNZEB-UHFFFAOYSA-N 351.428 1.808 0 40 FDAB Cn1cc(-c2nc(C(=O)Nc3ccc(-n4cnnn4)cc3)cs2)cn1 58148594 KPIUOEBRKPSLHH-UHFFFAOYSA-N 352.383 1.772 0 40 FDAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1C 22188001 FHKPJAWSSMHYOD-NSHDSACASA-N 356.386 1.975 0 40 FDAB COc1ccc(C[C@@H](C)N(C)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 58283402 QWJOUPDAXUICTA-CYBMUJFWSA-N 369.425 1.228 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCSC(F)(F)F 58218416 SCXJMWQLBJXRAD-UHFFFAOYSA-N 356.391 1.934 0 40 FDAB CCNC(=O)CN1CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)CC1 58292260 BDCUWHPRDGAHDZ-UHFFFAOYSA-N 369.469 1.194 0 40 FDAB COc1ccc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 58316603 JSKFPPDMSIDOES-OAHLLOKOSA-N 373.331 1.704 0 40 FDAB C[C@@H](NC(=O)N[C@H](C)c1nnc2ccccn12)c1nnc2ccccn12 12779530 MMTVPBCXSJPHOZ-VXGBXAGGSA-N 350.386 1.893 0 40 FDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 104346210 VAKBEEXNGUPAND-CQSZACIVSA-N 374.393 1.322 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1 10677802 GZMOUKCNUMYECB-INIZCTEOSA-N 366.464 1.764 0 40 FDAB COc1cc(OC)c(C(=O)OCC(=O)NC(=O)NC(C)C)cc1OC 3301382 OISDYBIXCUJHND-UHFFFAOYSA-N 354.359 1.103 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCc2ccccc21 3301356 GZYHSSXNCGGREM-UHFFFAOYSA-N 363.373 1.529 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1C 28688003 GZGGMWYNLNBOCK-ZDUSSCGKSA-N 360.458 1.259 0 40 FDAB CC(=O)NCC(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 11625997 PAXLAOANRCKXRG-UHFFFAOYSA-N 368.433 1.937 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(CN2C(=O)CNC2=O)c1 12893841 DOVFKISRROKNBZ-UHFFFAOYSA-N 367.361 1.762 0 40 FDAB COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C 12914571 AVMGUPVEOLJPNM-UHFFFAOYSA-N 353.400 1.559 0 40 FDAB C[C@H](c1ccccc1)N(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 13002146 MOCSUWCZKSGIMC-KDOFPFPSSA-N 353.422 1.959 0 40 FDAB Cc1ccc(NC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 8723725 DZAYQKALUAAISI-INIZCTEOSA-N 353.488 1.968 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4Br)C(=O)[C@@H]13)O2 3882513 YSWNWJUKLUOERO-OHTBPHCPSA-N 350.168 1.820 0 40 FDAB C[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 5016419 KETQIEVWCBZUAN-LBPRGKRZSA-N 363.443 1.002 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)Nc1ccccc1)C2=O 8988100 OGZKVZWMPBCXLY-KPZWWZAWSA-N 358.398 1.835 0 40 FDAB COc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14068176 IBLWMWOPLCGZJI-GFCCVEGCSA-N 353.378 1.576 0 40 FDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 14134986 UWHSCFPRKVUMJJ-ZDUSSCGKSA-N 354.391 1.419 0 40 FDAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccco1 14182612 DJWLDSCQXCGHEP-OAHLLOKOSA-N 350.440 1.863 0 40 FDAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCC1 6603042 WFBIDQRONBKXPY-RUZDIDTESA-N 366.439 1.739 0 40 FDAB O=C1NC(=O)[C@@H](N(CCN2C(=O)CSC2=O)c2ccccc2)S1 14904410 SAKPFIFCGIBRHV-LBPRGKRZSA-N 351.409 1.498 0 40 FDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9316888 KZGWXSGXYZCUFS-UHFFFAOYSA-N 371.397 1.440 0 40 FDAB COc1cc(C(=O)NCC(=O)Nc2nccs2)cc(OC)c1OC 16641357 KFWKVKSXTUALDP-UHFFFAOYSA-N 351.384 1.537 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(Cl)c1 9494522 KJBSCLXUIVRXGM-HNNXBMFYSA-N 350.827 1.941 0 40 FDAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc[nH]c1=O 9513964 DZSKNJNQQALYBO-UHFFFAOYSA-N 352.749 1.983 0 40 FDAB CCOC(=O)[C@@H](CO)NC1CCN(C(=O)OCc2ccccc2)CC1 95704862 KMMOBFIWCWWSDW-MRXNPFEDSA-N 350.415 1.301 0 40 FDAB COc1cc(N2CC3(CC[C@@H](CNC(=O)N4CCCC4)CO3)C2)ncn1 306123251 AIKXYRMLUQSBJE-AWEZNQCLSA-N 361.446 1.276 0 40 FDAB C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 35456546 QMWJARHMJRTJMQ-OOQIYLPPSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)n(C)n1 306138606 SBSICOXENRWXON-CGTJXYLNSA-N 355.442 1.000 0 40 FDAB CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 408704272 ZOAUGDOMMOYNIV-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc2c(c1)OCC(=O)N2 524735384 ZBQBQNWMIGPEDA-ZDUSSCGKSA-N 370.394 1.684 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565525040 YLHYWCKIROERBZ-VIFPVBQESA-N 362.432 1.660 0 40 FDAB Cc1c(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cnn1C 36615301 HFZKREYTUBEQJB-UHFFFAOYSA-N 352.247 1.590 0 40 FDAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCn2c(nnc2[C@H]2CCCN2)C1 72373951 BLXLHXDEZIYDKR-CYBMUJFWSA-N 354.389 1.979 0 40 FDAB O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CCc2nnnn2CC1 566565405 JBRJHCQUGJNKJB-LBPRGKRZSA-N 351.370 1.847 0 40 FDAB O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cnccn1 75164194 HFJDCBIYEJWBBF-UHFFFAOYSA-N 351.370 1.906 0 40 FDAB Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)nc(N2CCOCC2)n1 224226609 KILUOLBUIQGJTN-UHFFFAOYSA-N 356.382 1.280 0 40 FDAB Nc1c(NS(=O)(=O)N2CCC2)cc(Br)cc1C(=O)O 332418374 DFEYYYOTDFQHMO-UHFFFAOYSA-N 350.194 1.092 0 40 FDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@H]3C2)cn1 96043246 RTCPNKAOAQGAMS-KSZLIROESA-N 355.442 1.111 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225035 MBTIEHVHBZORIM-MRXNPFEDSA-N 366.443 1.371 0 40 FDAB CNC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H](OCC3CC3)C2)cc1 333404256 JCAPAVOGIKQRIU-KRWDZBQOSA-N 366.483 1.767 0 40 FDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1nc2ccccc2[nH]1 96222080 UYNQZOYUBZXDJF-ZQIUZPCESA-N 373.482 1.905 0 40 FDAB biogenic CN(C)S(=O)(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 247960955 QMYZXVZWEWTKPQ-ZDUSSCGKSA-N 354.407 1.092 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2ccccc2OC)Cc2ncn(C)c21 248022644 IPUCFFUWNOSXJM-HNNXBMFYSA-N 358.442 1.291 0 40 FDAB Cc1nnc(N2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)s1 248037878 RSYZRHLSCYAZRM-LBPRGKRZSA-N 354.501 1.550 0 40 FDAB Cc1ccn(CCC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)n1 257224545 FCGAVAGSWLCHEZ-WMZOPIPTSA-N 358.442 1.716 0 40 FDAB CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3ccccn3)C2)ncn1 257224993 FEJUVQZUHPUWCB-LJQANCHMSA-N 354.458 1.861 0 40 FDAB Cn1cc([C@@H]2[C@@H](CNC(=O)c3ncccc3O)CC(=O)N2C(C)(C)C)cn1 616779737 YEVSUYJRWHPGSM-PXAZEXFGSA-N 371.441 1.639 0 40 FDAB O=S(=O)(CCc1c(F)cccc1F)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1 631958047 HXASTVKNVZVCLU-HVOFVXBASA-N 356.438 1.767 0 40 FDAB CN1CCN([C@@H](CNC(=O)c2ccc(C(=O)O)nc2)c2cccs2)CC1 640089512 SXZYDLJXLDWLDV-HNNXBMFYSA-N 374.466 1.560 0 40 FDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2cncc2C1 644484397 ARAYGUZZGRJNEQ-HXUWFJFHSA-N 354.454 1.643 0 40 FDAB CS(=O)(=O)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCC1 684356154 LDCCRKVZUABWBY-WEVVVXLNSA-N 362.495 1.811 0 40 FDAB CN1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 95383656 IVOJXOGSEFWWIT-KRWDZBQOSA-N 362.437 1.582 0 40 FDAB Cn1cncc1[C@@H]1CNC[C@H]1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 1615593123 YLARXRLCUPNDIU-LSDHHAIUSA-N 370.501 1.982 0 40 FDAB Cc1nc(O)cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)n1 585288181 PZRWTTCKSXKZPD-ZSZQSSIHSA-N 355.394 1.250 0 40 FDAB COC(=O)c1sccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 24908450 CRSJXEMSOHKAJI-UHFFFAOYSA-N 368.436 1.794 0 40 FDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@@H](C(=O)O)C1 585282558 GXUTZOYPTBHZAO-MDZRGWNJSA-N 354.491 1.819 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]21 585108367 AUWIDPVGSZYFOP-ARFHVFGLSA-N 352.394 1.131 0 40 FDAB O=C([C@H]1CCCN(c2ccc(Br)cn2)C1)N1CCOCC1 80207049 CKCWKCSMZARNBK-LBPRGKRZSA-N 354.248 1.919 0 40 FDAB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CCCC1 1188769943 ODKPJBUZJCCELB-UHFFFAOYSA-N 361.338 1.904 0 40 FDAB c1cc([C@H]2CCCN(c3c4c(nc5ncnn35)CCC4)C2)n2ncnc2n1 12119037 JOPVZBHBXSQNLU-LBPRGKRZSA-N 361.413 1.435 0 40 FDAB COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 12996095 CFVKYCWATICINK-VBNZEHGJSA-N 371.389 1.856 0 40 FDAB CCNc1nc(N)nc(OCCNC(=O)Nc2ccc(Cl)cc2)n1 16887210 QCBVOLOIFZESND-UHFFFAOYSA-N 351.798 1.740 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19502012 NQUHMJFFFHSEEE-XMDUPGNXSA-N 360.410 1.370 0 40 FDAB O=C(O)CC1(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 663122409 HBNGIPVEAVBDTA-UHFFFAOYSA-N 366.389 1.416 0 40 FDAB Cc1cnc(N(C)[C@H]2CCCN(Cc3nnc([C@H]4CCOC4)o3)C2)nc1 1888866790 QSKSBHDRELXKLN-GJZGRUSLSA-N 358.446 1.773 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cscn5)C[C@@H]4C3)nn12 1888904141 AQQDPCKDRRPHAG-RYUDHWBXSA-N 369.454 1.352 0 40 FDAB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C)n4)CC3)ncn2)n1 1889138787 XXJTWIYIPJSWLF-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1cncnc1N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 1889226164 PWKMCNCYCCVJCW-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB Cn1c(=O)c2c(nc(S)n2Cc2ccc(F)cc2Cl)n(C)c1=O 100099140 KWQCPGJTTIXEPC-UHFFFAOYSA-N 354.794 1.563 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(c2cccnc2)C(=O)CO3)o1 1565548380 YGWCWPFYOCXZGN-LJQANCHMSA-N 371.393 1.258 0 40 FDAB O=C(Cc1ccc(F)cn1)NC[C@H]1Cn2nnc(-c3ccoc3)c2CO1 1565548738 IGRJVDQSNDINHU-AWEZNQCLSA-N 357.345 1.330 0 40 FDAB CCc1ccc(C(=O)N2CCCn3ncc(C(=O)N(C)CC)c3C2)cn1 1565544283 HKLOSNZRVMZGKA-UHFFFAOYSA-N 355.442 1.979 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O 1565542252 LLGGEAREUHBPQC-RXVVDRJESA-N 365.433 1.478 0 40 FDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(=O)Cc2ccc(F)cn2)C1)N1CCCC1 1565549174 NFYDXUZHVRCQAX-KBRIMQKVSA-N 361.417 1.392 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565553746 DHZFVHSGZKPMAI-IPMKNSEASA-N 361.486 1.944 0 40 FDAB CCCc1cc(O)nc2nnc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)n12 4250303 OIQLLWFPUDDQIC-QWRGUYRKSA-N 365.459 1.510 0 40 FDAB COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941593 BTWUMZXYGBYBHP-NSHDSACASA-N 360.439 1.709 0 40 FDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C(=O)NC[C@@H]1C(C)(C)C 585149734 KPWSXNINTVMKOR-RDBSUJKOSA-N 367.490 1.863 0 40 FDAB CC(C)[C@H](CNC(=O)Cc1ccc2nc(N)sc2c1)N1CCOCC1 19662318 OUUYXMPWUSARNW-HNNXBMFYSA-N 362.499 1.894 0 40 FDAB COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H](O)c1ccccc1)C2=O 40059647 IUEIPPJRIMKXAK-CQSZACIVSA-N 361.375 1.351 0 40 FDAB NC(=O)[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 40033788 QGRYLZLCWFMCQE-GOSISDBHSA-N 363.373 1.675 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(OC)c2)C1 40091919 RFFOXVVFKOQMLN-OAHLLOKOSA-N 354.472 1.763 0 40 FDAB COCCn1c(SCC(=O)NCc2ccco2)nc2ncccc2c1=O 31616108 OGTUAIOSMUWPFM-UHFFFAOYSA-N 374.422 1.439 0 40 FDAB CCOC(=O)c1ccoc1COC(=O)c1cc(S(N)(=O)=O)ccc1F 32946350 QKSRYRHPLPUNJQ-UHFFFAOYSA-N 371.342 1.600 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2cc[nH]n2)cc1 103140734 TXAIYAZCSMTFIZ-GASCZTMLSA-N 350.378 1.966 0 40 FDAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1cncc(Br)c1)C1CC1 78681807 VBRNALVFJUFSHH-VIFPVBQESA-N 361.261 1.882 0 40 FDAB O=C(NCCN1CCOCC1)N(CCCO)[C@@H]1CCCc2ccccc21 79062946 ZZGXKLMNFXVGEO-LJQANCHMSA-N 361.486 1.790 0 40 FDAB CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21 4383906 AXMZEEYAZBBSCG-OAHLLOKOSA-N 366.830 1.862 0 40 FDAB COCCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccc(C)c1 4444660 RHCYVHCQBFZYPZ-LLVKDONJSA-N 363.443 1.575 0 40 FDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)NCc1cccs1 47495961 RMDBWNPCLUCJCF-UHFFFAOYSA-N 353.469 1.667 0 40 FDAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1N1CCOCC1 7722988 TYKGCHQOHGTQDA-UONOGXRCSA-N 367.519 1.922 0 40 FDAB COCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 8104294 VOACTNNEVPKLMT-UHFFFAOYSA-N 351.808 1.207 0 40 FDAB CC(C)(C)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823853 FQJQNICQMGFLJM-UHFFFAOYSA-N 365.441 1.905 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1 9882183 QYIVHRJYHZAPHZ-UHFFFAOYSA-N 354.453 1.262 0 40 FDAB Cc1cc(C)nc(-n2nc(C)c([C@@]3(O)C(=O)Nc4ccc(F)cc43)c2N)n1 3254032 GPMRWLZQHCWMJX-GOSISDBHSA-N 368.372 1.497 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420626 MSDMPJYASGGKHD-YGTYGHESSA-N 362.401 1.803 0 40 FDAB COc1cccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)c1 57681253 XSXMCCDIIWHQFM-UHFFFAOYSA-N 374.466 1.985 0 40 FDAB CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@@H]([C@@H]5C[C@H]42)[C@@H]13 101194528 QSDMAJZSSDNJPO-OMJYUDPDSA-N 352.434 1.659 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 57819585 MOYGYIWDTRQJFH-UHFFFAOYSA-N 359.426 1.129 0 40 FDAB CN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 10109481 VDIFDSNHENMDPH-QFQXCOSMSA-N 354.516 1.438 0 40 FDAB COc1ccc(CNC(=O)CNC(=O)c2cn3c(C)cccc3n2)cc1 58180070 YEUQTDZLOABJOI-UHFFFAOYSA-N 352.394 1.698 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cnccn3)CC2)c1 27631239 LMZMHYNMCFGKFQ-UHFFFAOYSA-N 360.483 1.689 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)NCCc1c[nH]c2ccccc12 58293409 BWYHTFCNRSIEAO-UHFFFAOYSA-N 361.442 1.338 0 40 FDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC(CNC(C)=O)CC1 58291587 AVUQWMMZTQZAJI-UHFFFAOYSA-N 374.485 1.593 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 102847762 HCNBMWSBFPQATH-GASCZTMLSA-N 356.378 1.144 0 40 FDAB CC1CCC(C)(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 58227894 QWVJHZJFNSOQMO-UIORMTCPSA-N 369.487 1.237 0 40 FDAB CSCC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2124195 SRJNYMCJCMPAHS-LBPRGKRZSA-N 351.380 1.494 0 40 FDAB biogenic O=C(Cc1ccc(F)cc1)NCCNC(=O)c1cc(=O)[nH]c2ccccc12 58432412 KWQJZSYYAXKKET-UHFFFAOYSA-N 367.380 1.756 0 40 FDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(-n3cncn3)cc2)c1 10548819 OGVXEOUFGRLZRR-UHFFFAOYSA-N 371.422 1.569 0 40 FDAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc3nonc23)C2=C(COC2=O)N1 22061681 MDPKWTOXKXUQSW-AWEZNQCLSA-N 355.350 1.946 0 40 FDAB in-vitro Cn1cc([C@@H](C(=O)O)N2CCC(C(=O)O)CC2)c2cc(C(=O)O)ccc21 36359334 JWWCBAIQTRSAJZ-HNNXBMFYSA-N 360.366 1.799 0 40 FDAB Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 22625287 GQZHLLRHNVUUHN-KRWDZBQOSA-N 357.454 1.472 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3388000 HDAPNALMEBILQY-VMPITWQZSA-N 350.352 1.122 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2n[nH]c(=O)c3ccccc23)n1 11168454 AXSAGKSXICBAJX-UHFFFAOYSA-N 358.379 1.738 0 40 FDAB COc1cc(OC)nc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)n1 11294224 KYYJGHITOBGJNO-GFCCVEGCSA-N 374.397 1.204 0 40 FDAB Cn1nc(CC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 12822155 AVVQWUGVULYADY-UHFFFAOYSA-N 361.405 1.711 0 40 FDAB Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c2ccccc2c1=O 3587162 UPSSQCOBBUEHDH-UHFFFAOYSA-N 372.768 1.777 0 40 FDAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCNC(=O)C1 12909915 FWOHGMNQOVJTLL-HXUWFJFHSA-N 367.449 1.482 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]23)n1 306136520 PVTLPOPMWWXWIY-JYJNAYRXSA-N 372.425 1.946 0 40 FDAB COCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21 8703929 KEFICCDKULTDFC-UHFFFAOYSA-N 366.299 1.812 0 40 FDAB O=C1CCC(c2ccc(Br)cc2)=NN1[C@H]1CCS(=O)(=O)C1 14095988 GDJIWNJVXJXNQY-LBPRGKRZSA-N 371.256 1.963 0 40 FDAB CC(C)(C)c1ccc(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)cc1 5323859 ZTMKYKHPULPAAI-UHFFFAOYSA-N 359.382 1.016 0 40 FDAB NC(=O)Cc1csc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 14167036 RPCTVKGZPVZUIP-NSHDSACASA-N 362.436 1.613 0 40 FDAB NC(=O)c1c(NC(=O)Cn2nnc(-c3cccs3)n2)sc2c1CCC2 14159993 BDARYGAYHJVUES-UHFFFAOYSA-N 374.451 1.689 0 40 FDAB CC(C)CN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 14183733 OPUUGKYKNZGDMW-AWEZNQCLSA-N 373.496 1.375 0 40 FDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2o1 6859829 QVQIDRSIJHDGLC-CYBMUJFWSA-N 364.423 1.198 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2nc3ccccc3o2)cc1 6881073 YSKCJHATERRWOH-UHFFFAOYSA-N 373.434 1.767 0 40 FDAB Cc1cc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nc(C(C)C)n1 15032616 OYAAPNAXMYVSLY-UHFFFAOYSA-N 358.446 1.966 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2ccccc2Cl)c1C(=O)OC 4969586 BRGRPAXOKQOQLD-UHFFFAOYSA-N 352.734 1.143 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nn(C)c(=O)c2ccccc12 7777565 SKAXISXWPKGTNZ-MRXNPFEDSA-N 365.389 1.448 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)N2CCc3cc(F)ccc3C2)CC1 93549171 XMSAEQXUGJZRLW-UHFFFAOYSA-N 369.462 1.565 0 40 FDAB C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)NC1CC1 16366551 JDYCRLWFDYTRPH-VIFPVBQESA-N 351.384 1.165 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)CNC(=O)Cc1ccccc1 7986693 GGUZEGIFPGSRGD-UHFFFAOYSA-N 353.422 1.663 0 40 FDAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc(C(=O)O)cc1 9341109 ACTKMNFRAFYDAE-UHFFFAOYSA-N 351.251 1.205 0 40 FDAB CCN1CCC[C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 69138663 SMNHVEXFVMFMMH-OAHLLOKOSA-N 365.499 1.688 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(C(C)=O)c[nH]1 8259505 GXZUUYWHBHBXTC-INIZCTEOSA-N 372.377 1.275 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccc3c(c1)OCCO3)C2=O 8388949 ULDPZXLFIXQUFK-UHFFFAOYSA-N 373.409 1.532 0 40 FDAB CCOC(=O)C1=C(COC(=O)CC)NC(=O)N[C@H]1c1ccc(OC)cc1 8390545 BSRGUTWAYSCCKH-INIZCTEOSA-N 362.382 1.820 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 9918104 BCQHVJWSTIZBCH-UHFFFAOYSA-N 364.427 1.562 0 40 FDAB COc1cc(C)c([S@](=O)CCN2C(=O)NC(C)(C)C2=O)cc1OC 75109534 PDLJRBNAZXBTED-DEOSSOPVSA-N 354.428 1.450 0 40 FDAB COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)n1 75105757 WQZISIKXYUGIAQ-CYBMUJFWSA-N 360.414 1.662 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408615646 BSIAHFCHWKLGOD-VIFPVBQESA-N 369.270 1.911 0 40 FDAB CCCCN1CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080515 PKSOCELEVWSCTP-DLBZAZTESA-N 350.484 1.918 0 40 FDAB Cc1noc(C2(NC(=O)Nc3cccc(-n4ccnn4)c3)CCOCC2)n1 529026623 VHYFZZQQNHSQSQ-UHFFFAOYSA-N 369.385 1.786 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35375361 WCACKGRRMHUVCR-ZCQATVAHSA-N 355.438 1.844 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 35898002 VDHKLNURAYLARL-DMWPJOQESA-N 352.412 1.787 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 38828293 GTSJRHZWKOHZQW-GFCCVEGCSA-N 371.372 1.574 0 40 FDAB Cc1nc(NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc(C(F)(F)F)n1 567767559 PXUQNGNOZHGWKF-SNVBAGLBSA-N 373.356 2.451 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 72054714 TWZZOJMOCIHPBG-VIFPVBQESA-N 357.375 1.479 0 40 FDAB CCN(CC)[C@H](CN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl 39982543 CPLAMSYXXHLRLI-XHSDSOJGSA-N 360.907 1.470 0 40 FDAB CCCNC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224351452 WGAXBLRJGGMXBZ-UHFFFAOYSA-N 355.460 1.559 0 40 FDAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C(=O)Nc1c[nH]ccc1=O 44890304 RCASOKVEYCBCEY-UHFFFAOYSA-N 356.357 1.601 0 40 FDAB COc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222671791 QVCACZAVDFQTKH-UHFFFAOYSA-N 359.382 1.219 0 40 FDAB O=C(Nc1ccccc1NC(=O)c1ccc[n+]([O-])c1)c1ccc[n+]([O-])c1 226864728 JQCUFUDGPNUEEU-UHFFFAOYSA-N 350.334 1.458 0 40 FDAB Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(c3cccnc3)C2)C1 96229470 OVCBGBQMWVWMCI-GOSISDBHSA-N 358.398 1.126 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 96041054 FNPGEPROSXRKTQ-BPUTZDHNSA-N 358.467 1.834 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 96106244 CFUQPWNECXYTGD-OAHLLOKOSA-N 356.426 1.905 0 40 FDAB COCc1nnc(NC(=O)C2CCN(c3ccc(OC)nn3)CC2)s1 95480616 MYADHGCBJBGVSL-UHFFFAOYSA-N 364.431 1.338 0 40 FDAB N=c1[nH]cncc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 583621214 VHVCDTHZKHEUQU-TVQRCGJNSA-N 352.316 1.856 0 40 FDAB O=c1cc(CO)oc(C(c2ccccc2)c2oc(CO)cc(=O)c2O)c1O 96114494 XTUGDEARXYSJMX-UHFFFAOYSA-N 372.329 1.169 0 40 FDAB biogenic COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 253406971 VKPMJHLVRBCVIH-SMDDNHRTSA-N 373.409 1.754 0 40 FDAB biogenic,in-vitro CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCN(C)C2)cn1 257247119 IXOVWVGQFHZKEK-INIZCTEOSA-N 369.469 1.580 0 40 FDAB CC1(C)COC(=O)N1c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257328226 XESPASFWHXBUPQ-UHFFFAOYSA-N 368.459 1.426 0 40 FDAB O=C(NCc1ccnc([C@@H]2CCCO2)n1)c1cccc(-n2cnnc2)c1 257342648 ZPNRKRHNJZKAQY-INIZCTEOSA-N 350.382 1.839 0 40 FDAB C[C@@H](NC(=O)c1cc(Br)cnc1Br)C(=O)O 1599840519 GUMVAAPIGNKHQU-SCSAIBSYSA-N 351.982 1.810 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257211610 BZNGHLJZSHRMFI-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB CC(=O)N1[C@H]2CCN(C(=O)c3cc(F)ccc3F)C[C@@H]2C[C@]1(C)CO 257307014 SWWQUXKPBHWZGH-ULFGMLNVSA-N 352.381 1.799 0 40 FDAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3CCCN3C)CC2)cc1 633083180 SWLNBZQVKNFMPO-GOSISDBHSA-N 358.486 1.993 0 40 FDAB COc1cccc2c1CCN(C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1C)C2 643781452 YGZGTFNWWZSFAS-MSOLQXFVSA-N 354.454 1.625 0 40 FDAB CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)CCc3ccccc3F)[C@@H]2C1 656942248 GYAKYBFUORWKBS-OIISXLGYSA-N 357.447 1.966 0 40 FDAB C[C@H](CNC(=O)N1CCC(c2ccccc2C(=O)O)CC1)S(C)(=O)=O 659424703 VYBIRGKSQMKRKQ-GFCCVEGCSA-N 368.455 1.707 0 40 FDAB Cc1noc(C)c1CC(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 96120422 STKYCSFTGZIWOQ-UHFFFAOYSA-N 355.460 1.154 0 40 FDAB CN(CC1=CCCOC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 666210729 JHKHWEYBDABGQR-UHFFFAOYSA-N 361.446 1.752 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC(C)C)C[C@@H]23)o1 585106084 KHVFNVMHDJFKLB-CVEARBPZSA-N 359.470 1.897 0 40 FDAB Cc1ncsc1CN1CCC[C@H](c2ccnc3c(C(N)=O)cnn23)C1 585180155 VHDULPXVSYGXLX-LBPRGKRZSA-N 356.455 1.973 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4cccc(C)c4o3)C2)C1 685943040 UXJQISHMFYSJKD-ZDUSSCGKSA-N 355.394 1.160 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(F)ccc1Cl 548202619 KEJQZPQNKQGRHY-LDYMZIIASA-N 351.783 1.637 0 40 FDAB O=C(O)CCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21 109280593 IAUAMLUNAMJRHF-ZSHCYNCHSA-N 353.415 1.660 0 40 FDAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)Nc3ccccn3)cc12 12325119 KVMHJGZRSQKDGG-UHFFFAOYSA-N 354.366 1.949 0 40 FDAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024908 UQEJBFKDYKPUQF-UJKGCTCZSA-N 355.438 1.862 0 40 FDAB CC(C)n1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cn1 19454911 BJVATJVFKPSRDN-CQSZACIVSA-N 354.458 1.920 0 40 FDAB N[C@H](CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)O 19765775 JUHAVNXIAQKYKZ-SCZZXKLOSA-N 373.228 1.226 0 40 FDAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 17271943 LBLIWTLBBHCYMI-UHFFFAOYSA-N 365.455 1.480 0 40 FDAB CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 585086002 UEXOFLPSSLATRG-CYBMUJFWSA-N 360.426 1.778 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)Cc1ccccc1 3308723 NHXLJDYONWNTJP-UHFFFAOYSA-N 353.407 1.640 0 40 FDAB O=C(c1cc[nH]n1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888897124 IAKMVULKXHDJGH-NSHDSACASA-N 353.386 1.266 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1C 16446819 AAENZZKWKUAZRY-STQMWFEESA-N 367.423 1.897 0 40 FDAB CC(C)OC(=O)[C@@H]1COC(C2(C3=N[C@H](C(=O)OC(C)C)CO3)CC2)=N1 1987970611 JNHLVSXLRZSBTG-RYUDHWBXSA-N 352.387 1.264 0 40 FDAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)ccn1 2037984757 MQKFZVDMTHTAOB-ZHALLVOQSA-N 351.406 1.513 0 40 FDAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1260064807 RYZWANPDBSBMTH-BETUJISGSA-N 350.469 1.603 0 40 FDAB COc1ccc(N2C(=O)NC(=O)[C@H](Cc3ccc(O)c(OC)c3)C2=O)cc1 970022 GGRKKQVUJUFKHB-AWEZNQCLSA-N 370.361 1.851 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5222196 KDERPAFNCQAJRO-CYBMUJFWSA-N 364.398 1.918 0 40 FDAB CS(=O)(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 8840247 CQZIBYVGLCIFDI-UHFFFAOYSA-N 366.464 1.805 0 40 FDAB CCCc1nnc(NC(=O)CSc2ccc(NC(C)=O)nn2)s1 11738783 CFYPSDYTEDARQH-UHFFFAOYSA-N 352.445 1.970 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CCc2c(C(=O)N3CCC(O)CC3)ncn2C1 2055714452 AFRMXOFCLCDRCR-CYBMUJFWSA-N 360.458 1.101 0 40 FDAB CSc1ccccc1NC(=O)C(=O)NCC1(N2CCOCC2)CCC1 1775974599 XDOCJYYKCBXMNW-UHFFFAOYSA-N 363.483 1.718 0 40 FDAB CCc1ncnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1F 2086884643 AZYVRAVOTFOWPI-GFCCVEGCSA-N 358.364 1.641 0 40 FDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCn2c1nc1ccccc12 102922771 CZGQAKJNXZXCAE-CHWSQXEVSA-N 352.394 1.558 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(N2CCOCC2)nc1 40040547 FXYLEFGETOMTRP-PVAVHDDUSA-N 373.453 1.865 0 40 FDAB COc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 101997564 WJPKPUSNXPCASB-BRWVUGGUSA-N 354.362 1.838 0 40 FDAB Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)s1 22023519 IYRWCXBPHVXMMS-SECBINFHSA-N 372.493 1.844 0 40 FDAB COc1cc2nc(SCC(=O)N3CCOCC3)nc(O)c2cc1OC 12249726 MPEZVVLVGJOQNX-UHFFFAOYSA-N 365.411 1.304 0 40 FDAB COc1ccc(C(N)=O)c(OCC(=O)N2CCC(c3ccccc3)=N2)c1 22320151 RBZIAEPNDAZLGP-UHFFFAOYSA-N 353.378 1.810 0 40 FDAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 4501589 WLKSTEIIEMCMPT-UHFFFAOYSA-N 370.471 1.631 0 40 FDAB CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 8485462 SHQWEOKVGTYJAV-UHFFFAOYSA-N 364.423 1.573 0 40 FDAB C[C@@H](C1CC1)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 24672925 FFYRYQZYHBRXEO-ZDUSSCGKSA-N 370.453 1.150 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCO)n2Cc1cccc2ccccc12 1851597 PTHWZJAUVFQPGI-UHFFFAOYSA-N 365.393 1.029 0 40 FDAB O=C(NCCN1C(=O)CSC1=O)NCc1ccccc1OC(F)F 58024603 RRTVPALDNWUSFJ-UHFFFAOYSA-N 359.354 1.783 0 40 FDAB O=C(O[C@@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12781510 BEENBPKPJYVJRI-CYBMUJFWSA-N 371.386 1.085 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 25373581 ZFDYMKYHIQZBDC-QGZVFWFLSA-N 369.487 1.280 0 40 FDAB Cc1nn(C[C@H](O)COc2ccc3c(c2)OCO3)c(=O)c2ccccc12 58171250 AXAJJSOCYIXWOB-ZDUSSCGKSA-N 354.362 1.874 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(-n2ccnc2)cc1 58178063 HNNNCXKOPWQVLT-UHFFFAOYSA-N 359.389 1.899 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC(=O)N(C)C1 58265193 OLPXJJYBAAYLAF-IAQYHMDHSA-N 351.834 1.441 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 109003847 DMURQFUIRHYOET-YXMPFFBPSA-N 358.485 1.437 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 48373925 DCIQCWBNDSLZDO-CQSZACIVSA-N 353.488 1.212 0 40 FDAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN(C)CC(OC)OC 2436117 GQTAXNKWLGOLIS-UHFFFAOYSA-N 363.414 1.752 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306129253 HYNPGKQXEIFZMA-RDBSUJKOSA-N 350.440 1.132 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)n1cnnn1 13017085 FRGHJZLGRFOELX-MRXNPFEDSA-N 365.393 1.545 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21 13133583 VMIFATGCFKOGOC-UHFFFAOYSA-N 374.422 1.037 0 40 FDAB aggregator O=C(NCCO)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408978376 ZBIUGPWBPDLFDL-UHFFFAOYSA-N 362.345 1.153 0 40 FDAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCC(N)=O)=N1 408991915 RMKIWCLYIRRMTG-LBPRGKRZSA-N 373.265 1.972 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1Br 14095808 GDNOFYDOSRQBNI-UHFFFAOYSA-N 366.259 1.942 0 40 FDAB CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)s2)CC1 14171823 PWLKTRMCHWDRPS-UHFFFAOYSA-N 373.544 1.668 0 40 FDAB C[C@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005405 DXTMRUMKADLWFQ-CYBMUJFWSA-N 351.472 1.805 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CC2)cc1 4836496 HZPOEJURMOMFDI-UHFFFAOYSA-N 354.428 1.153 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)s1 67559829 RDJPOUPBJLIDBD-OLZOCXBDSA-N 369.443 1.890 0 40 FDAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)no1 7758871 LAUOFVBFOSDMQB-UHFFFAOYSA-N 351.384 1.256 0 40 FDAB C[C@](O)(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 72285015 ZMDMNMDMAXMNPM-UZLBHIALSA-N 359.470 1.938 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O 8373234 LKSKPDCDLMCVFN-SECBINFHSA-N 350.202 1.254 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 17073307 WKVSUBSULOUWMU-ZIAGYGMSSA-N 354.428 1.766 0 40 FDAB Cn1c(CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 74052847 LVMAGJBMMKYCHR-HNNXBMFYSA-N 364.453 1.939 0 40 FDAB Cc1ccccc1CNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 22931547 KMZWGLKSDXNJQH-UHFFFAOYSA-N 372.513 1.241 0 40 FDAB CC[C@H](C)NC(=O)Cn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O 35423805 XTRMVWBWEGBNGW-JTQLQIEISA-N 358.398 1.810 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nnn(-c3ncc(C)s3)c2C)C1 56907849 OWJPHXHUIVDSAS-GFCCVEGCSA-N 363.443 1.756 0 40 FDAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc2c1OCCO2 524729869 MIBUOSCJLVWFNQ-GFCCVEGCSA-N 357.362 1.915 0 40 FDAB biogenic CN(CCn1cccn1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 183634896 QNGXMMSFAUAQKD-UHFFFAOYSA-N 360.439 1.039 0 40 FDAB Cc1cccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 30752571 KFWWMGGTYJJLMV-KRWDZBQOSA-N 360.435 1.838 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(N)=S 218150606 WTFDHZCCNLRELE-VNHYZAJKSA-N 357.453 1.235 0 40 FDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217533754 STXWSQOQZCHZLV-LBPRGKRZSA-N 374.459 1.537 0 40 FDAB COCCNC(=O)CNC(=O)COc1ccc(OCc2ccccc2)cc1 32788496 XNJHUCZBHFBGMQ-UHFFFAOYSA-N 372.421 1.523 0 40 FDAB Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 32643040 TWSNSMVTCLXRCF-UHFFFAOYSA-N 359.451 1.706 0 40 FDAB CC(C)n1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cn1 227168412 IPXKJGTXYZDGME-JTQLQIEISA-N 350.400 1.984 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 222323803 JUXBTDMKFADEDD-GUYJKWIASA-N 364.195 1.645 0 40 FDAB O=c1[nH]c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc2ccc(F)cc12 85879313 QASGZRYGXBADHW-OLZOCXBDSA-N 366.396 1.843 0 40 FDAB biogenic Cc1ccc(C(=O)NC2CCN(C)CC2)cc1N1CCCCS1(=O)=O 222578768 QHNPHPNORMKIEI-UHFFFAOYSA-N 365.499 1.749 0 40 FDAB Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@H]2c2cnc(C(C)(C)C)nc2C3)c1=O 529666637 LPWNFZHIZIYKFB-HZMBPMFUSA-N 369.425 1.475 0 40 FDAB Cc1ccc2c(CCNC(=O)N3CCOC[C@@H]3c3nc[nH]n3)cn(C)c2c1 576243117 AQQUGDSMVUJPMV-QGZVFWFLSA-N 368.441 1.930 0 40 FDAB C[C@H]1CCCN(c2ccc(NC(=S)NCCN3CCOCC3)cn2)C1 223893271 PRUVTUAJEAIHNZ-HNNXBMFYSA-N 363.531 1.937 0 40 FDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(O)cc2)o1 96116373 LOVSBINTRRZZQZ-OAHLLOKOSA-N 359.378 1.740 0 40 FDAB biogenic CCOC(=O)[C@]12CCCN(C(=O)C3CCOCC3)C[C@H]1CN(C(C)=O)C2 96056025 LMCQBPQRRXRTRX-LPHOPBHVSA-N 366.458 1.063 0 40 FDAB CN1CCN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@@H]1Cc1ccccc1 582813562 KGNDPLTWESVALE-HNNXBMFYSA-N 351.410 1.662 0 40 FDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)Cc2nncn2C)C1 585083445 QUWZOPWQVLQLSP-CQSZACIVSA-N 350.467 1.241 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)N2CCCC2)cc1 25435147 NBUHGWQIVUTTLT-QGZVFWFLSA-N 356.426 1.356 0 40 FDAB COCc1noc(C2(NC(=O)c3ncccc3Cl)CCOCC2)n1 585142460 WZMJVLVPYHKXMD-UHFFFAOYSA-N 352.778 1.700 0 40 FDAB CN(CCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1)Cc1cccnc1 257325950 WVDREQYDMVWYOV-ROUUACIJSA-N 357.458 1.325 0 40 FDAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)on1 257212308 CCTKZBPTVNDQCG-SFHVURJKSA-N 359.430 1.424 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)C3CCOCC3)C2)nc2c1CC(=O)N2 257280658 OLUHRIYAUCAZDJ-LJQANCHMSA-N 358.442 1.586 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N2CCO[C@](C)(C(N)=O)C2)c1 257297420 RHEMYGJMPYGLGF-FQEVSTJZSA-N 369.421 1.397 0 40 FDAB O=C(CCn1cccn1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 630141415 QOUKBJVKRYEINW-MRXNPFEDSA-N 370.409 1.991 0 40 FDAB Cn1ccnc1[C@@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@H]1N 1615592908 VXABNWZDZBFREO-HUUCEWRRSA-N 368.466 1.434 0 40 FDAB CC[C@H]1OC2(CCN(C(=O)c3cccc(-n4ccnc4)c3)CC2)NC1=O 1615589068 GCZZHUZVQZGKTG-MRXNPFEDSA-N 354.410 1.730 0 40 FDAB CC(C)C[C@H]1C(=O)NCCCN1S(=O)(=O)N1CCc2ccccc2C1 644952141 FFYKKGPJIGUYBK-KRWDZBQOSA-N 365.499 1.526 0 40 FDAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCN(c2nncn2C)CC1 661494661 CBGYGPAHXXIGLO-AWEZNQCLSA-N 360.437 1.725 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3cccs3)ccc21 585274480 YMDPANFTNIVTAD-UHFFFAOYSA-N 354.434 1.780 0 40 FDAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585289477 HVMRIPCIFNHDTQ-LATQFLISSA-N 356.426 1.648 0 40 FDAB COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc(O)cc1=O 48303341 ZRDSRFMQRXOXPG-UHFFFAOYSA-N 363.439 1.943 0 40 FDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@@H]2COCCO2)cc1 54614809 HTFZLYWPEKWMTP-OAHLLOKOSA-N 350.415 1.857 0 40 FDAB CCCCn1nc(C(=O)Nc2ccccc2Cn2cncn2)ccc1=O 55968828 ZHYXDCHCOIJFFA-UHFFFAOYSA-N 352.398 1.936 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615154146 DNCILSWCUAOAOP-IBGZPJMESA-N 370.384 1.654 0 40 FDAB O=C(c1cc(Br)ccc1O)N1CCN(c2cnccn2)CC1 11544278 WULHDOVKUVJUMK-UHFFFAOYSA-N 363.215 1.907 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12085930 OWEFWYKQVSAIKX-RNODOKPDSA-N 373.453 1.821 0 40 FDAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnc(N(C)C)nc1 12276222 LSBRFVWGZADVLV-OAHLLOKOSA-N 366.425 1.461 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3F)CC2)no1 12754098 ADMQGDZHHOOQRM-UHFFFAOYSA-N 364.352 1.658 0 40 FDAB Cc1ccc(Cl)cc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 13668704 ZHWZSUPZNSFJGK-UHFFFAOYSA-N 361.895 1.482 0 40 FDAB Cc1ccccc1CC(=O)N[C@@H](C)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19237096 OQWWFNATFRYNLY-HNNXBMFYSA-N 369.469 1.250 0 40 FDAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(C[C@H]2CCOC2)CC1 19291259 HHAPAHFHENEUBZ-BEFAXECRSA-N 374.460 1.799 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@H](C(=O)NC2CCCC2)C1 19750489 DKWNCWJWKRISDU-ZDUSSCGKSA-N 352.460 1.390 0 40 FDAB O=C1[C@H]2CN(Cc3nnc(C(F)(F)F)o3)C[C@@H]2C(=O)N1c1ccccc1 1888853015 PXQNUBNPZBXAJH-QWRGUYRKSA-N 366.299 1.710 0 40 FDAB Cc1nsc(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888866645 WDNINNYIEYATLK-HUUCEWRRSA-N 364.496 1.745 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 22968716 QCHLPNPBAIJKLP-IBGZPJMESA-N 374.460 1.908 0 40 FDAB CCCS(=O)(=O)N1CCN(C)C[C@@H](Cc2ccnc3cccnc23)C1 2037838236 AEWSBFPANFVRTH-OAHLLOKOSA-N 362.499 1.776 0 40 FDAB O=C(CCCn1cncn1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909050 PGAHMYPQWRSTQV-SFHVURJKSA-N 362.405 1.630 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3csnn3)C2)CC1=O 1614937944 OLZHAJUSSQYHOW-INIZCTEOSA-N 361.427 1.408 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3cccs3)CC2)C1 1614929853 UAEXKYUXEXAEIW-GFCCVEGCSA-N 358.485 1.451 0 40 FDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CO1 1565553299 SOBPARODVZPKCA-MRXNPFEDSA-N 362.474 1.664 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1565551627 UAEWQTHFZKWKNA-WCVJEAGWSA-N 358.442 1.321 0 40 FDAB COc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)on1 1565556251 ZXJAUWQYLRDZRH-RDTXWAMCSA-N 366.414 1.215 0 40 FDAB O=C(CSc1nc(=O)n2ccccc2n1)NCc1ccc2c(c1)OCO2 4499763 DHDXUPNLAAFEBY-UHFFFAOYSA-N 370.390 1.227 0 40 FDAB O=C(Cc1cccs1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251310 ZAPVOCHTOFJFFF-UHFFFAOYSA-N 351.391 1.957 0 40 FDAB CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665774 YPKAJYUILURLCR-UHFFFAOYSA-N 365.441 1.968 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1cccc(F)c1)CC2 2055730231 OGWYFPVSVLKUFE-ZDUSSCGKSA-N 353.419 1.510 0 40 FDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cn4cc(Cl)cn4)C[C@H]3O2)n[nH]1 2055771553 HQPZUDPKIJHKRD-CYZMBNFOSA-N 350.810 1.342 0 40 FDAB Cn1c(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2cccnc21 22998113 MYVDDCNROQDGGQ-UHFFFAOYSA-N 362.433 1.892 0 40 FDAB Cc1nnc2ccc(N3CCN(c4ncnc5cc(F)ccc45)CC3)nn12 1775974393 PWXBXADFHNAWOT-UHFFFAOYSA-N 364.388 1.842 0 40 FDAB Cc1nccn1CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 38720619 NFSXBIHPXVONTJ-UHFFFAOYSA-N 356.304 1.845 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@]1(O)CCc2ccccc21 75155707 SQKLVMOJLMOFRY-LJQANCHMSA-N 359.447 1.801 0 40 FDAB CN1CCc2cc([C@@H](O)CNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 96362907 IGXILSJHDQLCJE-SFHVURJKSA-N 371.412 1.284 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cccnc1-n1cccn1)CS2 40091073 UFNXJMICBVQQJC-DYVFJYSZSA-N 357.439 1.338 0 40 FDAB COc1cc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2cc1OC 20113231 GVNOBSKRDQYHTN-UHFFFAOYSA-N 372.425 1.617 0 40 FDAB biogenic COc1ccccc1CNC(=O)c1nn(-c2ccccc2F)nc1CO 21149081 QBOLDAHRJGFBST-UHFFFAOYSA-N 356.357 1.837 0 40 FDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759823 MBYWZIWHOWHIOM-CYBMUJFWSA-N 351.472 1.489 0 40 FDAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 32755026 BJJPVQHJFAEKRK-UHFFFAOYSA-N 363.347 1.686 0 40 FDAB CC1CCC(NC(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 32904960 YTIACUMOXVKARV-MYBQVCMBSA-N 351.491 1.393 0 40 FDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 6741991 WYOAYKCLBQDJSK-XWSJACJDSA-N 354.450 1.896 0 40 FDAB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)c1 6961974 CZJDNBZUZSZZEH-NVNXTCNLSA-N 366.377 1.983 0 40 FDAB Nc1nc(N)nc(COC(=O)c2ccc(Cl)cc2N2CCCC2=O)n1 8546843 OJAQDWYVZAQAIX-UHFFFAOYSA-N 362.777 1.173 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4cccc5cccnc45)CC3)ncnc21 23462737 HXXYEIMDNLVTGX-UHFFFAOYSA-N 373.420 1.874 0 40 FDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(Cc2ccncc2)CC1 23731431 YTXJRQZXKJDKJP-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB COC(=O)CCNC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61721574 LKSBFAVVWMKCOW-UHFFFAOYSA-N 364.785 1.900 0 40 FDAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 24748140 AISKICUFSCTMBT-CYBMUJFWSA-N 353.378 1.786 0 40 FDAB Cn1ncc(-c2cc3ncc(S(C)(=O)=O)c(N)n3n2)c1C(F)(F)F 1393624 AEZQBJOKBVQEOL-UHFFFAOYSA-N 360.321 1.134 0 40 FDAB OCCn1c(CN2CCN(c3ncccn3)CC2)nc2ccc(Cl)cc21 25539793 YVUASBLVSRREAV-UHFFFAOYSA-N 372.860 1.794 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1OCC(=O)N(C)C 58178095 FVCQDXGLQDEFQB-GFCCVEGCSA-N 350.419 1.108 0 40 FDAB C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCO2 48253350 GRIZWGHXCYNODG-LBPRGKRZSA-N 373.409 1.847 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)NCCN1CCc2ccccc2C1 45076676 QPMCFGUDGYKJHR-UHFFFAOYSA-N 351.450 1.899 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)c1ccccc1 12767281 JRMURKSMBPPOFK-UHFFFAOYSA-N 356.426 1.511 0 40 FDAB CCOC(=O)NC(=O)CSc1nnc(SCCC(=O)O)s1 3325219 GXILFDAJRYWTQI-UHFFFAOYSA-N 351.431 1.470 0 40 FDAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 95478712 GHQMTBBZRAMPLR-HNNXBMFYSA-N 360.439 1.754 0 40 FDAB O=C(NC(=O)C(Cl)(Cl)Cl)Nc1cc(N2CCOCC2)ncn1 28251764 MQBWHOYAVXQSGV-UHFFFAOYSA-N 368.608 1.332 0 40 FDAB C[C@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1 13039770 VRWIDMZRPQQOSC-NSHDSACASA-N 351.403 1.762 0 40 FDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 4386354 FIZWHBIYFCDUIO-UHFFFAOYSA-N 373.388 1.224 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14093290 ILJDRCCKEWOYTG-CQSZACIVSA-N 372.352 1.762 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc[nH]c1=O 14014952 NGMOQDFHUBVKFP-UHFFFAOYSA-N 364.199 1.814 0 40 FDAB CC(C)NC(=O)CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 65530024 YOGSEZQGEYMSEP-INIZCTEOSA-N 367.858 1.910 0 40 FDAB C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 96012562 HENSCPNLCZJJBC-VERVWZFWSA-N 358.485 1.201 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)C2CC2)CC1 14136202 UXOOUFYHQMJBRS-UHFFFAOYSA-N 351.834 1.841 0 40 FDAB COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)NCCO)cc1 4545252 IGRQVOLZDIBNFX-NSMFRCMUSA-N 366.417 1.974 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)c1nc3nc(C)cc(C)n3n1)CC2 14233973 FNLQFRGLUODIJJ-UHFFFAOYSA-N 367.409 1.957 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NC[C@@H]1CCCO1 4682666 LDKQQJINWMAFAI-HNNXBMFYSA-N 363.433 1.550 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 4785726 AAIIOSJOSBXKLW-UHFFFAOYSA-N 370.361 1.847 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccco1 5653979 AVWYVKVUKJVYPO-NSHDSACASA-N 356.334 1.124 0 40 FDAB CN1CCN(C(=O)c2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355064 SHSHZUIEAOAXLN-INIZCTEOSA-N 353.470 1.789 0 40 FDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCNC1=O 8151926 OLHZPNPMGNMGKM-UHFFFAOYSA-N 358.320 1.128 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccn1 72325794 BGJSHRYHCUDUJA-HNNXBMFYSA-N 350.378 1.672 0 40 FDAB biogenic Cn1cc(-c2ncc(C(=O)NCCCc3nnc4n3CCCC4)s2)cn1 89756611 ZSPRUVYOOPTLAM-UHFFFAOYSA-N 371.470 1.834 0 40 FDAB CCOC(=O)CN(C(=O)COC(=O)C1SCCS1)c1ccccc1 89983754 YNANKXHNGKCCLQ-UHFFFAOYSA-N 369.464 1.932 0 40 FDAB Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)N1CCOCC1 68682559 VEFWRZYKRUVEAU-CQSZACIVSA-N 354.472 1.790 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](COCc3cccnc3)CCN2C)C1 306144968 ZTQWIWDOTQBRRB-MRXNPFEDSA-N 367.515 1.734 0 40 FDAB Cc1nc(NC(=O)CN2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)(C)C2 20633914 BPTGCMGGXBUACK-UHFFFAOYSA-N 373.457 1.076 0 40 FDAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 38671324 MMEWVNKWAJGWET-AWEZNQCLSA-N 358.398 1.590 0 40 FDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 306129594 IHTYKWLHHZGOBG-CGTJXYLNSA-N 356.426 1.563 0 40 FDAB Cc1ccsc1CN1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306137464 QXDNBBRDULSXFE-GJZGRUSLSA-N 372.494 1.804 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1cccs1 1547200973 FAZZMIZTZKYMLD-UHFFFAOYSA-N 369.406 1.411 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCS3)cc1 70637320 DSDKQEHFCMYHEA-UHFFFAOYSA-N 370.496 1.633 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[S@](C)=O)cc2)CC1 181618601 CMLPHDGZNBBFPO-MYYSRTQBSA-N 351.516 1.714 0 40 FDAB CC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C 72335008 XXTJFHPDOXVJPP-MELADBBJSA-N 355.460 1.650 0 40 FDAB O=S(=O)(Cc1ccccc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482743 XIHFDARWHRZKRL-UHFFFAOYSA-N 357.395 1.456 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1COCC(=O)N1Cc1ccccc1 75164242 GXAOHIFISDVJNN-OAHLLOKOSA-N 354.362 1.781 0 40 FDAB Cc1ccc(O[C@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)nn1 225429243 ZVROTSDEWOHJIH-ZDUSSCGKSA-N 353.386 1.133 0 40 FDAB COc1ccc(CN(C)C(=O)c2nn(C)c3c2CS(=O)(=O)CC3)cc1 41070393 SAJHDFUKUDKHDX-UHFFFAOYSA-N 363.439 1.172 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ccc(C(N)=O)cc2)C1 89212878 WIAIEGAUZSFWEY-CQSZACIVSA-N 368.455 1.959 0 40 FDAB O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1O 97490073 WJCNYAPLTJFTPQ-FUHWJXTLSA-N 372.396 1.986 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)n1 96052158 TWZWLPMHMPQBBE-INIZCTEOSA-N 357.454 1.785 0 40 FDAB O=C(c1cccs1)N1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240959 FIBCIPXRGIQYJR-CQSZACIVSA-N 364.467 1.476 0 40 FDAB O=C(N[C@H]1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1)c1ccccn1 96221133 WPWNAXMWWULTBM-CQSZACIVSA-N 354.410 1.603 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)C1 247749700 RQCNORRYIIJULM-YNWQMFLISA-N 368.433 1.771 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248162975 YLEOYBPTSOYFKB-KRWDZBQOSA-N 371.485 1.510 0 40 FDAB CN(C[C@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CCCC(=O)O 257209144 BPEUOPJAGZLMOC-LJQANCHMSA-N 374.441 1.379 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2cc3ccccc3o2)c1=O 85555756 ZBUYBFFGDJMPHD-UHFFFAOYSA-N 354.288 1.777 0 40 FDAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H](O)C(F)(F)F 270785558 FDUABYJWVBHRJP-GXFFZTMASA-N 369.361 1.828 0 40 FDAB CCO[C@H](CS(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1)C1CC1 606444804 YNSLKEORHXLMNQ-YALNPMBYSA-N 361.504 1.790 0 40 FDAB CO[C@H]1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC[C@H]1N(C)C(C)=O 585280491 JKASUFWOBZDCNV-QRVBRYPASA-N 359.470 1.607 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]2O1 585108944 HHGZCFDUELGYBF-XBFCOCLRSA-N 371.372 1.269 0 40 FDAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@@H]1C 585098677 WUPPEWWLSKYVKU-AWEZNQCLSA-N 354.410 1.942 0 40 FDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)N(C)Cc2ccccn2)C1 585095757 IRQXVEIOTCLYNU-QGZVFWFLSA-N 355.442 1.866 0 40 FDAB Cc1noc([C@H]2CN(C3CN(C(=O)c4conc4C4CC4)C3)CCO2)n1 685941651 FPPKBBMVJLWHDO-CQSZACIVSA-N 359.386 1.141 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(F)cc1 5062588 XSZVGACWBWTKNX-UHFFFAOYSA-N 352.387 1.454 0 40 FDAB CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1 5509143 SYFDHHOKXUZVHM-JTQLQIEISA-N 374.422 1.863 0 40 FDAB Cc1nc2cc([C@H]3CCCN3C(=O)c3ccc(=O)[nH]n3)nn2c(O)c1C 12336966 YGDJSGZVDWMIAK-CYBMUJFWSA-N 354.370 1.112 0 40 FDAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12899229 DCIFFVLQFMQEMI-UHFFFAOYSA-N 357.351 1.373 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1O 13345265 QWQMIHVUZJXITQ-UHFFFAOYSA-N 351.336 1.662 0 40 FDAB CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19460457 CRIFFMKWPSTOID-ZFWWWQNUSA-N 358.442 1.518 0 40 FDAB CCN1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694936 KCCZFCNEZHAINZ-MRXNPFEDSA-N 355.442 1.702 0 40 FDAB CN1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19748125 IAJXSOWJSKLDRJ-CYBMUJFWSA-N 369.462 1.047 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(Cc5nc(C(C)C)no5)C[C@@H]4C3)nn12 1888881714 KSRXMCDPWLKDKN-ZIAGYGMSSA-N 368.445 1.507 0 40 FDAB Cn1ccc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)n1 1888888094 DXXMBAUUWMQVJZ-KBPBESRZSA-N 350.426 1.515 0 40 FDAB Cn1c(N2C[C@H]3CN(C(=O)Cn4cccn4)C[C@H]3C2)nc2ccccc21 1888890220 LAIFFSUAHHJVRF-GASCZTMLSA-N 350.426 1.365 0 40 FDAB Cc1cccc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)n1 238899402 RIMGIJFOYPKSQH-HNNXBMFYSA-N 364.405 1.780 0 40 FDAB O=C(Cn1cccn1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238911055 SEVACAOKCDUYJD-LBPRGKRZSA-N 351.204 1.721 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544471 LOTSIXFSPZJAEK-IBGZPJMESA-N 373.428 1.745 0 40 FDAB O=C(NC[C@H]1Cc2c(C(=O)Nc3ccccc3)n[nH]c2CO1)c1cc[nH]c1 1565548305 XIXRNANNLZZINM-CQSZACIVSA-N 365.393 1.861 0 40 FDAB O=C(Nc1ccncc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273359 DIODQOVWXTXWBE-CYBMUJFWSA-N 354.366 1.780 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccncc3)cs2)C1 13790185 CUKLJROUGFLZAV-LBPRGKRZSA-N 366.468 1.815 0 40 FDAB COc1cccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)c1 2055747576 JEZDBAOMNXPDGP-VAMGGRTRSA-N 373.497 1.591 0 40 FDAB Cc1ccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1 2086867530 WWLGBYAHALVZPW-MRXNPFEDSA-N 363.483 1.210 0 40 FDAB CSC[C@@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 206714155 YPMRWDQPNHCSEB-ZDUSSCGKSA-N 353.412 1.527 0 40 FDAB CCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@H]3OC(C)(C)O[C@@H]32)cc1 102855564 WHHIIMRGPWDFLO-JJTUDDRGSA-N 354.399 1.200 0 40 FDAB biogenic C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(n2cc(C3CC3)nn2)C1 585149194 UJMGRPBWGKRLQL-NSHDSACASA-N 356.382 1.735 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@H](C)CC3)cc1 21110578 XYKPZKFJFWGRMY-GFCCVEGCSA-N 355.394 1.793 0 40 FDAB Cc1ccnc(SCc2cc(=O)n3nc(-c4cccnc4)nc3[nH]2)n1 100071763 ZZNVKELNMAHBKE-UHFFFAOYSA-N 351.395 1.870 0 40 FDAB Cn1ncc(C(=O)N2CCN(Cc3ccncc3)CC2)c1-n1cccc1 40087825 MNJVNHPCYJYPGY-UHFFFAOYSA-N 350.426 1.564 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 40118858 KDPVVRNSOONWPL-GJZGRUSLSA-N 367.515 1.693 0 40 FDAB Cc1nccn1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 30697671 VDUJEHYTFHVWKK-GOSISDBHSA-N 355.398 1.166 0 40 FDAB COCCN(CCOC)C(=O)c1sc2nc(C)n(C)c(=O)c2c1C 31865626 FKHYZRPJHLCHRH-UHFFFAOYSA-N 353.444 1.347 0 40 FDAB O=C(/C=C/c1cccnc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090850 UBTBNKLGAOFVOR-AATRIKPKSA-N 358.423 1.023 0 40 FDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1cc(Cl)c(Cl)[nH]1 84338750 XUJLGIHONVTGEQ-JTQLQIEISA-N 369.208 1.916 0 40 FDAB COc1ccc(C2(CNC(=O)c3ccc4nnnn4c3)CCOCC2)cc1 79479465 SMBYSWIWVIPJJD-UHFFFAOYSA-N 367.409 1.611 0 40 FDAB O=C(NCCN1CCOCC1)N1CCCN(Cc2ccc(F)cc2)CC1 53955276 WKGFSOAXOJFNRX-UHFFFAOYSA-N 364.465 1.375 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(-n2cnnn2)cc1 4968092 UJRVKOYHXRXJCC-UHFFFAOYSA-N 373.376 1.525 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C 9682994 WVBSBIZDPAACFO-GFCCVEGCSA-N 352.387 1.212 0 40 FDAB CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 12504857 URWHVFRTJGXWAS-SNVBAGLBSA-N 354.211 1.611 0 40 FDAB Cn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 25306960 MBUDOBWUUWDWOI-LLVKDONJSA-N 354.457 1.521 0 40 FDAB O=C(CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)N1CCCC1 84573099 NRBPNCLVBJLXKT-UHFFFAOYSA-N 353.470 1.612 0 40 FDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccccc1C 26455808 FNOBXBIGBIWFQD-INIZCTEOSA-N 361.467 1.825 0 40 FDAB COc1ccccc1CNC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 57991815 KAFBPFCNTHRNMY-UHFFFAOYSA-N 354.410 1.953 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 27360480 YJCLYSGDUMMIQI-UHFFFAOYSA-N 356.474 1.244 0 40 FDAB Cn1c(CN2CCC(c3c[nH]c4ccccc34)CC2)cc(=O)n(C)c1=O 10225688 VDJKIVFFCMHOQA-UHFFFAOYSA-N 352.438 1.945 0 40 FDAB C[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)NC(=O)c1ccccc1 22875606 LBMJDCIDIDCTRF-HNNXBMFYSA-N 353.426 1.334 0 40 FDAB CC(C)[C@@H](C(=O)N1CCC2(CC1)OCCO2)N1C(=O)c2ccccc2C1=O 58202458 KZJCEORUYBWKAH-INIZCTEOSA-N 372.421 1.673 0 40 FDAB O=C(CCn1ccc2ccccc21)N1CCN(CCN2CCNC2=O)CC1 58341671 SVMOSOZMAOTWQF-UHFFFAOYSA-N 369.469 1.201 0 40 FDAB CCN(CC)[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccco1 58325844 FDZBMUITEVFHRG-ZIAGYGMSSA-N 374.528 1.699 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN(c3ncccn3)C2)O1 107845475 RUROKPCKXOUDDN-HKUYNNGSSA-N 358.442 1.956 0 40 FDAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccccc1 36389762 VRMBSCZHMWXVQV-UHFFFAOYSA-N 373.478 1.773 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1nnc2ccccc2c1=O 10898551 GLNFGSSALXZQAJ-UHFFFAOYSA-N 374.404 1.636 0 40 FDAB NC(=O)c1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 10939636 KIXFNQQWZZFTIZ-UHFFFAOYSA-N 352.394 1.963 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911009 HXBUZIJXHJDHRC-ONGXEEELSA-N 359.348 1.661 0 40 FDAB CC(C)CN1C(=O)CC(=O)N[C@@H]1S[C@H](C(=O)N(C)C)c1ccccc1 11062286 OFIRAIDGPBWGRJ-WMZOPIPTSA-N 363.483 1.837 0 40 FDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1Cl 36758252 GCEYRTHUVHYVRO-QKCSRTOESA-N 352.818 1.833 0 40 FDAB CCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2cc(OC)ccc21 22236031 XHIPPPODTAIHBP-UHFFFAOYSA-N 359.426 1.092 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)CC1 20454203 HIZBTBAEFNAMLI-UHFFFAOYSA-N 351.472 1.448 0 40 FDAB COc1ccccc1CN(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 12869601 ULJGSVWLXYSWTQ-UHFFFAOYSA-N 353.382 1.096 0 40 FDAB NC(=O)[C@H]1CN(Cc2cc3ccccc3nc2N2CCCCC2)CCO1 92735800 QALCJKFIVQEOJB-GOSISDBHSA-N 354.454 1.911 0 40 FDAB COc1ccccc1CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8982044 TWWQOFACUNXXAC-XOBRGWDASA-N 373.453 1.855 0 40 FDAB Cn1nnnc1SCCNCc1cc(-c2ccccc2)cn2nnnc12 72392676 WJEQHVBVPICRGY-UHFFFAOYSA-N 367.442 1.197 0 40 FDAB COC(=O)COc1nc2n(c(=O)c1Cc1ccc(F)cc1)CCS2 9134900 OKVSIKMXWJCJJN-UHFFFAOYSA-N 350.371 1.631 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 5424394 TZPKYNWZKFNRHG-UHFFFAOYSA-N 355.413 1.833 0 40 FDAB CCN(CC(=O)NCC(=O)Nc1c(C)cccc1C)CC(=O)NC(C)C 6542963 WRWBYAXZPKUWTF-UHFFFAOYSA-N 362.474 1.205 0 40 FDAB COC(=O)c1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1 14733899 NMIXOJLEPRDWMT-UHFFFAOYSA-N 353.338 1.466 0 40 FDAB Cc1ccc(N2CC[C@]3(CCn4c3nnc(-c3ccncc3)c4=O)C2)nn1 306127491 FZWBELRVLISNDN-IBGZPJMESA-N 361.409 1.351 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O 4999867 QZOGCPMNRUQEKP-UHFFFAOYSA-N 351.406 1.542 0 40 FDAB O=C1OCC[C@H]1Sc1nnc(N2CCOCC2)n1Cc1ccccc1 7073152 ABEFVKKSNBQLRW-CQSZACIVSA-N 360.439 1.571 0 40 FDAB COCCCn1c(SCC(=O)Nc2cccc(OC)c2)n[nH]c1=O 7348313 QPNUOWNOCRTYJR-UHFFFAOYSA-N 352.416 1.347 0 40 FDAB COc1ccccc1CNC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 8136285 HAAADSJXTOSIOQ-UHFFFAOYSA-N 357.341 1.967 0 40 FDAB O=C(O)CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1O 16806867 RXQYNYFBDJPZGP-UHFFFAOYSA-N 368.802 1.979 0 40 FDAB COC(=O)c1cc2cc(NC(=O)CN(C)S(C)(=O)=O)ccc2s1 22606738 ZXOJRBOCMDGRCM-UHFFFAOYSA-N 356.425 1.518 0 40 FDAB C[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 17334515 XMJOMOCWLXHKSZ-CYBMUJFWSA-N 357.435 1.945 0 40 FDAB COc1ncccc1C(=O)N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95998246 PSKABSYAQUBLKI-MRXNPFEDSA-N 360.458 1.247 0 40 FDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1 75109982 ZXCXIHHGWIRXJK-ZIAGYGMSSA-N 374.576 1.708 0 40 FDAB NC(=O)c1ccc(Cc2noc(C[C@@H]3Oc4ccccc4NC3=O)n2)cc1 546337494 NFDNFHLJVPECDH-HNNXBMFYSA-N 364.361 1.702 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1 548023615 FNTCVJPYKMPALG-HNAYVOBHSA-N 373.497 1.982 0 40 FDAB Cc1c(S(=O)(=O)NC[C@@H](C)Cn2ccc(C(F)(F)F)n2)cnn1C 36614657 SQJCJLVLUAWIJM-SECBINFHSA-N 365.381 1.558 0 40 FDAB COc1ccc(-n2c(O)nc3nc(NC[C@@H]4CCCO4)ncc3c2=O)cc1 67263552 YSKKWWQGFFBPED-ZDUSSCGKSA-N 369.381 1.481 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)ccc1C 408591759 JKGGPYPTQNXYMT-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2S(C)(=O)=O)CC1 72354292 VMWPPJAFPNVHED-HNNXBMFYSA-N 368.503 1.569 0 40 FDAB O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)NCCc1[nH]cnc12 36627024 TVPWTIZXLUBCAC-UHFFFAOYSA-N 364.453 1.882 0 40 FDAB COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(C)C 49547460 MKBYQRLQFUWSNQ-KRWDZBQOSA-N 361.373 1.363 0 40 FDAB CC(C)c1ccc(CN2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)cc1 46150809 GTZIHQRKBXLQDR-UHFFFAOYSA-N 367.515 1.346 0 40 FDAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)COc1ncccn1 224357585 FSGKHCCCLIPMPD-UHFFFAOYSA-N 357.418 1.340 0 40 FDAB Cc1cccc(CN2CCO[C@]3(COCCN(c4ncccn4)C3)C2)n1 96229483 DYTDXKIFNUYHPW-LJQANCHMSA-N 355.442 1.288 0 40 FDAB O=C([C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2)N1CCCC1 96083616 SKKRVMDWHKYCMJ-VNQPRFMTSA-N 368.430 1.226 0 40 FDAB Cc1nc(C)c(S(=O)(=O)NCc2nnnn2-c2ccccc2)s1 581287964 KKZFIVWBXWXLSQ-UHFFFAOYSA-N 350.429 1.214 0 40 FDAB COc1ncccc1C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 96207385 NTLWMQBFHLSHKN-OAHLLOKOSA-N 356.426 1.986 0 40 FDAB O=C(c1ccccc1)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240956 SDTGNWKHDRFGQG-KRWDZBQOSA-N 358.438 1.414 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 96226143 IAJXGOQULYHSQL-UGSOOPFHSA-N 358.398 1.112 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccccn3)C2)CN1c1ccccn1 96051370 FYHFGQFYTXAONJ-LJQANCHMSA-N 354.410 1.111 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230166 MSDMPJYASGGKHD-NXEZDXNNSA-N 362.401 1.803 0 40 FDAB O=S1(=O)CC[C@H](COc2ccccn2)C12CN(Cc1cccnc1)C2 247320634 LPZCGVNCGOZHRQ-MRXNPFEDSA-N 359.451 1.545 0 40 FDAB Cc1nc2ccc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)cc2[nH]1 257305451 SQARHUWMAVAUTK-KZNAEPCWSA-N 358.442 1.167 0 40 FDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257285398 PGXBRQQGENOKRL-ZHALLVOQSA-N 350.434 1.489 0 40 FDAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@H]2CCN(S(C)(=O)=O)C2)n1 257218830 DENSSSVRNWKVJQ-AWEZNQCLSA-N 361.423 1.899 0 40 FDAB COc1ncccc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257204655 AVUDYBIZCDZAEE-AWEZNQCLSA-N 367.409 1.464 0 40 FDAB CCc1nccn1CCC(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257268847 MNLYGYTXWIVMTE-LJQANCHMSA-N 357.458 1.378 0 40 FDAB Cc1ccccc1NCCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 264944576 WUAKUXRMXFNPRH-UHFFFAOYSA-N 372.513 1.954 0 40 FDAB CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)CC1 288460238 SKRPAOUWYGCTLW-NHYWBVRUSA-N 353.444 1.232 0 40 FDAB COc1ccc(Cn2nnnc2N2CC(=O)N(C)c3ccccc3C2)cc1 631400112 LQTKZKCTXORTOC-UHFFFAOYSA-N 364.409 1.713 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)COC(C)C)C2(CCC2)C1 1775997895 UDYYIASVYJWQHS-MRXNPFEDSA-N 365.474 1.016 0 40 FDAB Cn1cnnc1CN1CCC[C@H](COc2ncc(Br)cn2)C1 1775995589 AQQBOJSAGUIVHH-NSHDSACASA-N 367.251 1.659 0 40 FDAB COCC(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C=C1CCC1)CCO2 1615610721 GHQKXWCWXKYEPT-UHFFFAOYSA-N 364.486 1.989 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)cn1 607048711 JZNYSEUNHSUNMM-GOSISDBHSA-N 352.438 1.728 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 96026058 IMHUTYMZWDSUHN-ZDUSSCGKSA-N 367.427 1.168 0 40 FDAB CCCS(=O)(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C 585096637 WZHXIUMEPQPPEP-LBPRGKRZSA-N 366.443 1.523 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)N3CCCC3)C2)cn1 585112752 VTDHNTVISPXZIQ-KRWDZBQOSA-N 371.489 1.852 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(F)(F)F)[nH]2)C1 685943310 YJOXSEAMAGFGKW-IQJOONFLSA-N 357.336 1.447 0 40 FDAB CCOc1c(Cl)cc(CNC(=O)CCN2C(=O)CCC2=O)cc1OC 55715569 FBMFIXWFNUUHPO-UHFFFAOYSA-N 368.817 1.903 0 40 FDAB COCCn1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1=O 55397727 KSBNMVVHGXBDCG-UHFFFAOYSA-N 369.421 1.948 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 104262960 LGPIWWNSWVIXLV-SOLBZPMBSA-N 369.465 1.999 0 40 FDAB O=C1OC2(CN(Cc3ccccn3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162460 QINKVQVGWRNTRL-IBGZPJMESA-N 364.449 1.973 0 40 FDAB CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 5053045 AUGQEEXBDZWUJY-DSEYRMEUSA-N 366.410 1.125 0 40 FDAB in-man CCCNC(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12087114 HLASBRVFVWDVQA-HXUWFJFHSA-N 373.453 1.429 0 40 FDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C[C@@H]4CCCO4)c3n2)cc1 12145913 MAOGBAMIEVIUJX-LBPRGKRZSA-N 353.382 1.373 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 14606995 OEANKOZJRBPFLK-HNNXBMFYSA-N 368.393 1.999 0 40 FDAB CC(=O)Nc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1 17073637 FEVMGNZRFXFVIA-UHFFFAOYSA-N 356.455 1.954 0 40 FDAB COc1cccc(Nc2nc(N)nc(CN3CCC(C(=O)O)CC3)n2)c1 17073944 PREQIBMSZGTYKF-UHFFFAOYSA-N 358.402 1.503 0 40 FDAB Cc1ccc2c(c1)cc(C(=O)NCCCN1CCC(C(N)=O)CC1)n2C 19661171 JRQAQGQOVZWHDV-UHFFFAOYSA-N 356.470 1.804 0 40 FDAB O=C(c1cccnc1O[C@@H]1CCOC1)N1CCC(Oc2cccnn2)CC1 244970129 HKYQLAYNSGBWQH-OAHLLOKOSA-N 370.409 1.723 0 40 FDAB Cc1ccccc1C(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2C1 1888890186 USPQVUFJOOZOQW-HOTGVXAUSA-N 362.437 1.950 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCC2(O)CSCCSC2)cc1C 1888926081 KCDDKEQVOCBGTG-UHFFFAOYSA-N 354.497 1.569 0 40 FDAB CN(C)c1cc(N2CCN(c3ncnc4cc(F)ccc34)CC2)ncn1 1889149473 YBZRNVUMUYZRRD-UHFFFAOYSA-N 353.405 1.952 0 40 FDAB COCCOc1cc(C(=O)NCc2nnnn2-c2ccc(C)cc2)ccn1 245108441 SXHXOLVMOOUHSO-UHFFFAOYSA-N 368.397 1.321 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037839945 GFYQCINEMRJXQV-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)Cc2c(C)nc3ccccn23)C1 2037938500 ODTRBOKFQYBIEE-LJQANCHMSA-N 358.442 1.458 0 40 FDAB OC1(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)CCCCC1 2087123183 KZDAQBBNXDYRQS-UHFFFAOYSA-N 361.490 1.130 0 40 FDAB COCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1Cc1ccccc1 1565555723 GCKCIZCDNVSFLP-DLBZAZTESA-N 369.483 1.296 0 40 FDAB Cn1c(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@@H]3C2)cccc1=O 1565554720 DYAHDHUQDLRQTR-HUUCEWRRSA-N 365.437 1.187 0 40 FDAB Cc1cc(C)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 1056243 FGFRIHYUNRSEBX-UHFFFAOYSA-N 352.441 1.472 0 40 FDAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc21 3340805 NOTVQQOICCUOAZ-AWEZNQCLSA-N 367.409 1.186 0 40 FDAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccccc1 17179142 SUENPNOMBSUDKB-LJQANCHMSA-N 367.449 1.493 0 40 FDAB CC(C)[C@@H](CNC(=O)Cc1ccc2nc(N)sc2c1)N1CCOCC1 19662316 OUUYXMPWUSARNW-OAHLLOKOSA-N 362.499 1.894 0 40 FDAB Cc1cccc(OCc2nnc(SCc3cc(=O)n(C)c(=O)n3C)o2)c1 10497443 UFPNKWMDQGILNZ-UHFFFAOYSA-N 374.422 1.647 0 40 FDAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 40074484 OMZDHIWCZJCMQS-UHFFFAOYSA-N 374.466 1.294 0 40 FDAB COc1cc(OC)c2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c1 20650230 NHYYTPWWWFVXMN-UHFFFAOYSA-N 360.410 1.435 0 40 FDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ncccn4)CC3)c2c1 20746102 IWYXCEVRBKZXEN-KRWDZBQOSA-N 367.409 1.914 0 40 FDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 21699728 UFVYEQBPUVJPLJ-CYBMUJFWSA-N 357.428 1.322 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CCC(N)=O)CC2)cc1 22056452 YPEQSCQDBMLQPY-CQSZACIVSA-N 353.488 1.382 0 40 FDAB C[C@H](c1ccccc1F)N(C)CC(=O)N1CCN(c2cnccn2)CC1 53125148 PUPCZFSRLUYDLB-OAHLLOKOSA-N 357.433 1.957 0 40 FDAB O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 800788 VMSPOBSLJFTFAO-UHFFFAOYSA-N 359.451 1.799 0 40 FDAB COC(=O)C1CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 12391213 ZZGOPAVXRXYRDE-UHFFFAOYSA-N 357.410 1.699 0 40 FDAB Cc1cc2c(cc1NS(=O)(=O)c1cccs1)n(C)c(=O)c(=O)n2C 6913857 VRXALUYSLJFQRH-UHFFFAOYSA-N 365.436 1.408 0 40 FDAB O=Cc1ccccc1OCC(=O)OCCN1C(=O)c2ccccc2C1=O 3285177 RFXDXQRBALMXQD-UHFFFAOYSA-N 353.330 1.717 0 40 FDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCN1CCCC1=O 48291041 ZZQRLLMYMUTKHA-INIZCTEOSA-N 374.420 1.033 0 40 FDAB Cc1ccc([C@H](CNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)N(C)C)cc1 58202853 QAOVFPLDDKMHIM-HNNXBMFYSA-N 367.409 1.365 0 40 FDAB COc1cccc(CC(=O)N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)c1 58214326 XRIQCJGEHUQIQG-KRWDZBQOSA-N 360.454 1.868 0 40 FDAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)C[C@H](C)O1 58268953 UYTZYKSTWRYJHZ-QWRGUYRKSA-N 353.448 1.418 0 40 FDAB Cn1c(=O)n(CN2CCN(C(=O)c3cccs3)CC2)c2ccccc21 48260342 KVNIEPAFLWTLKG-UHFFFAOYSA-N 356.451 1.817 0 40 FDAB Cc1c(CCC(=O)NCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2113288 HQDMKVWTQXIZDF-UHFFFAOYSA-N 353.758 1.984 0 40 FDAB biogenic Cc1ccc2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cc(=O)n2c1 10883256 GUKCRIFMACCRPV-UHFFFAOYSA-N 368.784 1.447 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccc(F)cc1 22374913 HXAUOLYDFAZGAC-UHFFFAOYSA-N 352.387 1.607 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccccc1 3381042 YBJUPKPRWRMKDX-GFCCVEGCSA-N 372.402 1.540 0 40 FDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)NC(C)C 45925411 KLRAPCQBQKAGGC-HNNXBMFYSA-N 365.499 1.569 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1csnn1 11914883 SUYCFJJZWZWLCZ-UHFFFAOYSA-N 362.396 1.381 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O 3596002 WDGTZKLFIDREKG-LJQANCHMSA-N 374.441 1.858 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCc2csc(NC(C)=O)n2)C1=O 8941384 UWPMAEIFCXSPCV-UHFFFAOYSA-N 368.415 1.255 0 40 FDAB NC(=O)[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 84519329 FPEGPPZDSKMIJB-SFHVURJKSA-N 353.378 1.145 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O 13540258 BYJZTHZAYOJFOG-UHFFFAOYSA-N 355.398 1.467 0 40 FDAB Cc1cc(C)cc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)[nH]2)c1 4317165 UXCQILBKTCBNQH-UHFFFAOYSA-N 362.411 1.530 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1 13943774 MBYXVIWFGUAJOM-UHFFFAOYSA-N 353.422 1.991 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 9388235 LOYRXBNZCNDRBX-UHFFFAOYSA-N 354.428 1.454 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1C[C@@H]1C 5558925 IMMJBFBZSFAMAM-AAEUAGOBSA-N 354.428 1.311 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(CCCN(C)C)C(=O)[C@H]1C2 4761390 LCMPRWQYPXCLHA-CQSZACIVSA-N 363.483 1.509 0 40 FDAB Cn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nc2ccccc21 8461301 MDEQATHUVRPNBT-UHFFFAOYSA-N 371.422 1.315 0 40 FDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 67896923 DZQJKMLMNUWLIQ-SJLPKXTDSA-N 358.369 1.969 0 40 FDAB biogenic,in-vitro CS(=O)(=O)CC[C@@H]1NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 8508343 LCDZDXXBRVEWDS-LBPRGKRZSA-N 360.819 1.074 0 40 FDAB CCN(CCCNc1nc(N(C)C)cc(C(F)(F)F)n1)S(C)(=O)=O 71964390 NJSQLTKQFOUYSK-UHFFFAOYSA-N 369.413 1.645 0 40 FDAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 9862442 FLXXXWYLIRGCCV-JXFKEZNVSA-N 373.453 1.872 0 40 FDAB COC(=O)Cn1cc(CNC(=O)c2ccccc2NC(=O)C(C)(C)C)nn1 89621350 BJCNDMFRWNQXKM-UHFFFAOYSA-N 373.413 1.366 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 28284031 RWESBPSAZFIAQO-QWRGUYRKSA-N 373.456 1.576 0 40 FDAB c1ccc(OCC[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306130598 JKRYUMKFPYSSBO-HNNXBMFYSA-N 366.425 1.974 0 40 FDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 408504535 VFNVPVCYHOTZMJ-MJBXVCDLSA-N 350.440 1.630 0 40 FDAB COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)NCC2CC2)C1 306134585 NSQLTTSTPBPNRS-INIZCTEOSA-N 355.442 1.445 0 40 FDAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409195801 WAPMWBLAGXCDBP-WEVVVXLNSA-N 355.144 1.435 0 40 FDAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(c2ccc(F)cc2)CC1 35311201 GAKJMDIHEOOGQO-QGZVFWFLSA-N 362.453 1.978 0 40 FDAB CN1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1c1nc(C2CC2)no1 516200341 XZOVUXRFOLBMOK-AWEZNQCLSA-N 357.462 1.832 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O 408594356 ORCDMUGYJIZNRT-WEVVVXLNSA-N 372.118 1.269 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1 38145083 GAGBSNIADZBEGJ-GFCCVEGCSA-N 358.394 1.663 0 40 FDAB CC1(C)CC(=O)c2cnc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c3c2C1 36589747 QSRKXGLKGXKZIR-UHFFFAOYSA-N 369.425 1.175 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)CNC1=NS(=O)(=O)c2ccccc21 32975212 LQHFKIDYCQDTTA-GFCCVEGCSA-N 355.419 1.703 0 40 FDAB CCOC1CC2(CCN(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)C1 558173095 NPEPQTRUIJJFQK-HPUBIQBYSA-N 373.519 1.401 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 72327003 PZCSHKFGVWACGW-ODEMNLNRSA-N 368.481 1.748 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 34857573 FIBODOSGJQRCFM-MRXNPFEDSA-N 367.515 1.524 0 40 FDAB COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c(C)c1OC 568557026 NGFLCYPACSCZRX-RDTXWAMCSA-N 358.442 1.855 0 40 FDAB O=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)NCC1CC1 40106297 UWYXOIPYSJCARN-UHFFFAOYSA-N 364.467 1.364 0 40 FDAB CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccccc2C2CC2)CC1 329795728 DCRPARALNUSIJJ-UHFFFAOYSA-N 364.467 1.170 0 40 FDAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1ccccn1 77145486 DKKWZRAZNPZUGG-UHFFFAOYSA-N 364.452 1.641 0 40 FDAB CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCc2cc[nH]n2)s1 580732312 LJURMGUPMKIBCZ-IUCAKERBSA-N 351.436 1.286 0 40 FDAB CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1 583615053 JGRWOFIRVNJWJY-RISCZKNCSA-N 358.364 1.819 0 40 FDAB Cc1nccn1CC(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257219000 DFEYVORYLVUPJL-QGZVFWFLSA-N 357.458 1.513 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1 257219559 DHFZAXLJJIDHMK-MJGOQNOKSA-N 359.470 1.387 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3cnc(C4CC4)nc3)C2)ncn1 257342424 ZONXNJDMNANAMZ-CQSZACIVSA-N 353.426 1.784 0 40 FDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F 257279995 OJBLRUCINYXVDF-YOEHRIQHSA-N 356.369 1.842 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)C 257229307 FXOWJWNOLUTKDM-INIZCTEOSA-N 358.442 1.457 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2C)CCN1C(C)C 257325455 WSZOEMKROJEAMO-ZDUSSCGKSA-N 372.391 1.690 0 40 FDAB Cc1cc(N2CC[C@](O)(CNC(=O)CCc3cccc(F)c3)C2)ncn1 257333477 YBSINIVMBRTEFE-IBGZPJMESA-N 358.417 1.614 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c2ccccc12 262390282 IIWXLOSQKXBXOJ-JTQLQIEISA-N 350.396 1.892 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N2CCc3ccc(C(=O)O)cc3CC2)c1 530435547 QDRBKIBNKRMOSY-UHFFFAOYSA-N 363.439 1.952 0 40 FDAB CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 625963262 NZRIKJJKLFBISL-CQSZACIVSA-N 374.409 1.581 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 643705714 ZGJQQIPXPPOKEF-QGZVFWFLSA-N 352.456 1.091 0 40 FDAB Cc1ccc(Br)cc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 644002333 JYXIUVIDZYFCKL-OAHLLOKOSA-N 355.232 1.600 0 40 FDAB CN(CCN1CCCS1(=O)=O)Cc1ccc2oc(C(=O)O)cc2c1 652434267 XLPKNHDDRNZNTR-UHFFFAOYSA-N 352.412 1.598 0 40 FDAB O=C(O)CN1CC[C@H](Oc2cc(Br)cc(F)c2F)C1=O 663221225 ZLPCZRGWIFCSCU-QMMMGPOBSA-N 350.115 1.792 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 671597043 WGLPZKLMJPHRLX-BZNIZROVSA-N 374.397 1.111 0 40 FDAB C[C@H](O)c1cccc([C@H](C)NCCCN(CCCN)CCN(C)C)n1 68606243 RKLOQNYOPIWXFS-IRXDYDNUSA-N 351.539 1.388 0 40 FDAB biogenic COc1c(C(=O)N(C)C[C@H](C)NC(=O)CC2CCOCC2)c(C)nn1C 1775989151 FKXAUOWSFMGTKR-LBPRGKRZSA-N 366.462 1.131 0 40 FDAB CCn1nc(C)c(C(=O)N2C[C@@H](NC(=O)c3occc3C)C(C)(C)C2)n1 1775989182 GELASUYWUYXFOT-CYBMUJFWSA-N 359.430 1.788 0 40 FDAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575404031 LIWDXMQMRVBNBO-QGZVFWFLSA-N 367.405 1.959 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(C(=O)c1cccc(C)c1)CC2 585096384 LCCYJYGGFSYMEV-HNNXBMFYSA-N 370.453 1.714 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(Cc1nccs1)CC2 585100513 LVNRRXJVUOTPBY-MRXNPFEDSA-N 371.528 1.535 0 40 FDAB CN(CC(=O)N1CC[C@@](O)(COc2ccccc2)C1)Cc1ccncc1 585275793 JQNZPEWQKXULMS-FQEVSTJZSA-N 355.438 1.556 0 40 FDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNS(=O)(=O)c1ccccc1 585103384 VLFVUJJZMCVLKT-AWEZNQCLSA-N 367.471 1.128 0 40 FDAB COc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCCC2)on1 585094736 JTJLKXXTQBDWLD-ZDUSSCGKSA-N 359.430 1.470 0 40 FDAB Cc1nnc([C@H](C)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)o1 1615174445 BCSRIHFTSZYJBV-HGNGGELXSA-N 356.370 1.193 0 40 FDAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)nc12 12276431 SKEVGKLUIOZPGX-GFCCVEGCSA-N 354.414 1.669 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406866 VVIVPJDIFGIEBR-ZDEQEGDKSA-N 373.379 1.983 0 40 FDAB Cn1cc2c(n1)[C@@H](C(=O)NC1CC1)CN(C(=O)COc1ccc(F)cc1)C2 19701439 LRJOFXPGNFXJLY-INIZCTEOSA-N 372.400 1.343 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCN(c2nccs2)C1 206809990 XLXITEWHYNRXSR-CYBMUJFWSA-N 365.480 1.702 0 40 FDAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906760 HALLDLKPVALENC-UHFFFAOYSA-N 374.408 1.501 0 40 FDAB CC(=C\C(=O)O)/C=C(\C)C[C@](C)(O)CCCC[C@H](O)[C@H](CO)C(=O)O 253390589 NFWPIHPKFCOGJO-DPTMLADJSA-N 358.431 1.719 0 40 FDAB biogenic,in-vitro COc1ccc(OC)c([C@H](C)NC(=O)CCc2n[nH]c(=S)[nH]c2=O)c1 11331434 LGWANIUWMDGSJE-VIFPVBQESA-N 364.427 1.655 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(-n2cnnn2)cc1 6880403 FALLSLMHCHRIJL-UHFFFAOYSA-N 353.367 1.072 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)c1F 1888856586 BYZQLEILNDYWGQ-PHIMTYICSA-N 362.384 1.694 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1889184604 OVVVPKJARZFIJA-UHFFFAOYSA-N 364.457 1.983 0 40 FDAB Cc1nc(N2CCN(c3ncnc4cnccc34)CC2)cc(-n2cccn2)n1 1889213094 SFQZBXYYHQINRA-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(F)cccc3[nH]2)cc1 23876948 YAYAMKLYZOPWPP-UHFFFAOYSA-N 361.398 1.927 0 40 FDAB Cc1cccc(CCC(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 1565553723 CHVQENKAIJVWSM-FQEVSTJZSA-N 367.453 1.712 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H]3C(=O)N(Cc4ccncc4)CCO[C@H]3C2)o1 1565549564 TYZYRLPGZNJRCA-AEFFLSMTSA-N 369.421 1.873 0 40 FDAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)Cc1cccc(F)c1)CCO2 1565542341 RFULCOUTEGPRRS-UHFFFAOYSA-N 370.446 1.021 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@H]2C1 1565549762 BRDCMYGLMAATPP-XKQJLSEDSA-N 361.417 1.392 0 40 FDAB Cc1ncnc(OCC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C 1565522196 CVYQOCVXAUSQOT-UHFFFAOYSA-N 365.459 1.307 0 40 FDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941616 XATRYLYHILSLHW-ZDUSSCGKSA-N 372.450 1.853 0 40 FDAB O=C(NCc1ccco1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713911 ZOIYFDYGUZJRNC-AWEZNQCLSA-N 356.426 1.981 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccc(F)c(F)c2)nn1 1889133941 GSGDTKZJFOMGQD-CQSZACIVSA-N 363.324 1.737 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)n1 19237996 SIJFFSUANDAWGZ-DZGCQCFKSA-N 354.458 1.279 0 40 FDAB O=C(NCc1cccnc1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3 15905297 UROUHZNCYQHZAL-WOCWXWTJSA-N 353.422 1.422 0 40 FDAB COc1cc(C(=O)NCc2nc(C)cs2)cc(Cl)c1OCC(N)=O 40033920 HPVVJUMYLDHJRL-UHFFFAOYSA-N 369.830 1.908 0 40 FDAB C[C@@]1(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)CCS(=O)(=O)C1 40017315 JPDMCVOWGSUDIT-CYBMUJFWSA-N 357.300 1.618 0 40 FDAB COc1cc(CNC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)ccc1OCC(N)=O 101555781 HWSAZFPMIIIAMM-XSYNCLLFSA-N 360.454 1.733 0 40 FDAB COc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc(OC)c1OC 21110269 DTRQSSCLWVMUJG-UHFFFAOYSA-N 373.409 1.787 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 53022033 YPVWQLZUCLMBIX-LJQANCHMSA-N 371.393 1.714 0 40 FDAB C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 79095588 ZQJWNPMUGSHOEC-BBRMVZONSA-N 350.444 1.817 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCOc1ccc2c(c1)CCC2 103649089 WWEKWRKQQDCBJJ-QZTJIDSGSA-N 370.449 1.846 0 40 FDAB COC(=O)c1nc(N)n(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 3909625 NLEHISHFVNLMFW-UHFFFAOYSA-N 354.248 1.705 0 40 FDAB C[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104691697 FHVJNOOBLXSNLS-LMOYCYGVSA-N 368.437 1.436 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C(=O)OC 7756618 HABWEXOLNVUYDK-CQSZACIVSA-N 364.423 1.456 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCS(C)(=O)=O)c12 47697012 HCQQYKYSNBZXHZ-UHFFFAOYSA-N 350.444 1.319 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCN(C)c2ccccc2)c1 57616021 BEWQOROALXFDJF-UHFFFAOYSA-N 361.467 1.851 0 40 FDAB CCCCN(C)S(=O)(=O)NC1CCN(C(=O)c2ccccc2F)CC1 56057429 UOBYIRBUIPFGDW-UHFFFAOYSA-N 371.478 1.997 0 40 FDAB COc1ccc([C@H]2Nn3c(nnc3C(F)(F)F)S[C@H]2C(N)=O)cc1 27752698 UVINPQDAYONPDV-RKDXNWHRSA-N 359.333 1.550 0 40 FDAB COc1cccc2cc(C(=O)OCC(=O)NCc3ccco3)c(=O)oc12 3269685 NLDAKWURCAQCOU-UHFFFAOYSA-N 357.318 1.868 0 40 FDAB O=C(Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O)NCC1CCC1 108662870 SRVNDFMTYNFPRH-UHFFFAOYSA-N 369.421 1.988 0 40 FDAB C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 58165903 LAYXRQHWBRSNNB-OAHLLOKOSA-N 372.469 1.313 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(F)cc1C(=O)OC 48270623 LSDWSBDPCZFKAL-UHFFFAOYSA-N 371.346 1.313 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2Cc3ccccc3O2)=NN1c1ccccc1 48299160 QUHWTSSGZHIFGN-RDJZCZTQSA-N 364.405 1.227 0 40 FDAB CCN(Cc1cccc(F)c1)C(=O)Cn1nnn(-c2cccs2)c1=O 10815747 ROROQRPZXMTYSJ-UHFFFAOYSA-N 361.402 1.678 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(C(=O)OC)c(C)o1 28924663 KTKTVMTYXZSSBE-KRWDZBQOSA-N 371.393 1.711 0 40 FDAB CCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113966062 ZPTXPHWFFCBRNS-UHFFFAOYSA-N 356.444 1.530 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(NC(N)=O)c1 59899061 CXTMQKKCXDCRJB-UHFFFAOYSA-N 361.423 1.901 0 40 FDAB CCn1c(SCC(=O)NN2C(=O)N[C@@](C)(CC)C2=O)nnc1C1CC1 8936132 DYLYSZRHRQZEKH-HNNXBMFYSA-N 366.447 1.019 0 40 FDAB NC(=O)Cc1csc(NC(=O)COCc2nc3ccccc3s2)n1 14122583 VOKAUJSDFUXBHN-UHFFFAOYSA-N 362.436 1.936 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnnn1C 14139581 BTZUYWVYSUEQKJ-UHFFFAOYSA-N 371.470 1.480 0 40 FDAB CCOc1ccc(C(=O)NCCCOC)cc1S(=O)(=O)N1CCCC1 408699463 WZFQRAUHBDAIBP-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB Cn1ncc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1Br 96012363 RFEHWFMOAXVFKL-ZETCQYMHSA-N 355.158 1.549 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C=C(NCc3cccnc3)C2=O)cc1 4818571 GYJQZWHFNKXAHP-UHFFFAOYSA-N 351.362 1.805 0 40 FDAB CCc1noc(C)c1C(=O)OCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 7136171 OXUXOQMGLPECSN-UHFFFAOYSA-N 371.349 1.926 0 40 FDAB CCCN(C(=O)c1ccc2c(c1)NC(=O)CS2)[C@@H]1CCS(=O)(=O)C1 7779682 LDMXCHZBEFZJLP-GFCCVEGCSA-N 368.480 1.770 0 40 FDAB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NC1CC1 8313678 XIQNJBPZBCNAEY-UHFFFAOYSA-N 350.396 1.659 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)NCCSc1ccc(Cl)cc1 17144365 WNZKLJAIBZOTSD-UHFFFAOYSA-N 366.830 1.778 0 40 FDAB CN(CC(C)(C)CCO)S(=O)(=O)c1cnn(Cc2ccccc2)c1 95454426 XZRCHEWLYOSQGZ-UHFFFAOYSA-N 351.472 1.961 0 40 FDAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 95477223 ZZQOFFZZNAIWRB-LBPRGKRZSA-N 363.377 1.653 0 40 FDAB O=C(Nc1nccs1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022842 OXPGOGXWBYZUGF-LBPRGKRZSA-N 355.427 1.974 0 40 FDAB CCOC(=O)COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 408593268 MEOOJKKOVVXZBG-UHFFFAOYSA-N 367.427 1.194 0 40 FDAB COc1ccc2nnc(CCC(=O)Nc3cccc(NC(C)=O)c3)n2n1 71287264 KPOZPDCRPBZELU-UHFFFAOYSA-N 354.370 1.663 0 40 FDAB COC(=O)CCN(C(=O)Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 32641494 WSUSPQDFXQGALX-OAHLLOKOSA-N 353.440 1.116 0 40 FDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cnn3c2OCCC3)cc1 560384350 GFUZVKJRSCNUDV-CYBMUJFWSA-N 363.439 1.566 0 40 FDAB Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(N)=O)c2=O)cc1C 72344595 QFFNHWAVFPQMBL-QGZVFWFLSA-N 353.422 1.928 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225878777 WOFCJJKJKPMTRX-BETUJISGSA-N 364.519 1.712 0 40 FDAB CCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224224963 DPBXCDCAOVLCLZ-UHFFFAOYSA-N 356.426 1.950 0 40 FDAB CC(C)C[C@H]1COCCN1C(=O)NCc1ccccc1S(N)(=O)=O 513680331 NQBBRBXZAUPDRY-AWEZNQCLSA-N 355.460 1.291 0 40 FDAB O=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 77197065 MUNOQGNMFPGYKG-MDWZMJQESA-N 371.422 1.019 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224320803 DORMCAVEVTWWOQ-ONEGZZNKSA-N 369.425 1.268 0 40 FDAB CC(C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N1CCOCC1 40040751 REVFDQKUOPTLCK-KRWDZBQOSA-N 372.469 1.329 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)C=C(C)C)CC1=O 94993024 KLGZADBNKKHEME-AWEZNQCLSA-N 359.426 1.247 0 40 FDAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1 96109306 MZMIPSCFLKNWJU-WBVHZDCISA-N 353.488 1.815 0 40 FDAB COC(=O)C[C@@H](c1ccsc1)c1c(O)cc(C)n(CC(=O)O)c1=O 96222166 VZAHWQPSDCOCHQ-NSHDSACASA-N 351.380 1.703 0 40 FDAB biogenic O=C1C[C@@]2(CCN(c3nncs3)C2)CN1c1ccc2c(c1)OCCO2 96239078 UIMLHFMXMJBOJI-QGZVFWFLSA-N 358.423 1.943 0 40 FDAB CCCN1CCC(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 96080469 YRNPAVHBFNXETG-APWZRJJASA-N 363.527 1.866 0 40 FDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)Cc1c[nH]c2ccccc12 96114522 NRGDRYPTOXGHNX-UHFFFAOYSA-N 361.405 1.940 0 40 FDAB biogenic CCOC[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1c1cnn(C)c1 585655657 VWATUGWAZANCSM-IRXDYDNUSA-N 358.442 1.169 0 40 FDAB Cn1nccc1CN1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257294066 QSHAOUXYGAPAJT-INIZCTEOSA-N 369.469 1.667 0 40 FDAB Cc1cnc([C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)s1 257291964 QJKXAMYHUBKDCS-NSHDSACASA-N 350.444 1.488 0 40 FDAB CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3c4c(nn3C)CCCC4)C2)CC1 603143062 BFKZUMPARFDWSA-MRXNPFEDSA-N 374.533 1.931 0 40 FDAB Cn1nc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1OC(F)F 623003720 UHWORSSOBXXOAC-LBPRGKRZSA-N 371.365 1.421 0 40 FDAB COc1ccc(Cn2nnc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2C)cc1 653291391 CKHCTKUDMFLUMO-UONOGXRCSA-N 358.398 1.627 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)nc1)n1cnc2c(N)ncnc21 665831111 YJDOZFGPPZNKPO-LBPRGKRZSA-N 366.429 1.994 0 40 FDAB C[C@@H]1CN(C(=O)NCc2ccc(C[S@](C)=O)cc2)CC[C@H]1C(=O)O 599863238 AREPDQCTBGWAQW-VQGQKXPLSA-N 352.456 1.817 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cccc3nccn23)C1 1775957224 JLAYSLQTKKYOTH-OCCSQVGLSA-N 352.398 1.474 0 40 FDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2ccnc(C)n2)C1 585269393 RQPBHNQWLWQOAR-LJQANCHMSA-N 357.410 1.722 0 40 FDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2ccnc(C)n2)C1 585269392 RQPBHNQWLWQOAR-IBGZPJMESA-N 357.410 1.722 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585111713 GKUHFXLACZHNNF-MRXNPFEDSA-N 352.435 1.518 0 40 FDAB CC(=O)Nc1nc([C@H]2CCCCN2CC(=O)Nc2cc(C)on2)cs1 585271267 FFCIQGLQGUAQLJ-CYBMUJFWSA-N 363.443 2.564 0 40 FDAB Cn1ccnc1CN1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 585109620 FLHCIRBVQVNDSI-GIVHTBISSA-N 366.465 1.578 0 40 FDAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2cccc(F)c2Cl)CCO1 585279011 RWGSPWXMLXRMFR-INIZCTEOSA-N 358.797 1.473 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nncs3)CC2)c1 820604440 PYBTYZRRDYWVFH-UHFFFAOYSA-N 367.452 1.973 0 40 FDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2ccc(Br)cn2)CC1 46055322 UWFSRQMUGIJHKM-GFCCVEGCSA-N 355.280 1.879 0 40 FDAB N[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 91545032 IQFLCLNMEOIDGD-DGCLKSJQSA-N 353.264 1.620 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc2cccnc12 548532723 JSOXBGRAPBBHDZ-SWLSCSKDSA-N 364.423 1.534 0 40 FDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCN(c4nnc(C)s4)CC3)c2n1 1262642327 BAQJADPLQOKUGA-UHFFFAOYSA-N 371.470 1.777 0 40 FDAB COc1ccc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1OC 12114798 MCTQVMUTLHXZOB-UHFFFAOYSA-N 353.382 1.743 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O 12115268 HUUPCVNMYQNEGX-CYBMUJFWSA-N 373.482 1.620 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N(C)N(C)c3ncccc32)c1 12145114 RXYNBWDDBMPAHV-UHFFFAOYSA-N 355.398 1.630 0 40 FDAB COc1cc(CCC(=O)OCC(=O)Nc2ccon2)cc(OC)c1OC 14081231 OKTTZCQOZWURKI-UHFFFAOYSA-N 364.354 1.815 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cccs2)s1 16746051 MKAYMMLOEKWIEU-UHFFFAOYSA-N 373.477 1.941 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2 18114051 KMFQXAZYZQGDJU-UHFFFAOYSA-N 353.334 1.447 0 40 FDAB Cc1nc2c(c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)n1)CCC2 1888857228 NLXXIJNLQUBWPG-CALCHBBNSA-N 362.433 1.895 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cn5cccn5)C[C@@H]4C3)n1)CCC2 1888867052 HFLUZZAZDWKIOH-HUUCEWRRSA-N 352.442 1.065 0 40 FDAB c1cc(N2CCN(c3nnc(C4CC4)s3)CC2)nnc1N1CCOCC1 1888920818 TVFKQFWLMQYATJ-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB COc1ccc(CN2CCN(C(=O)c3ccc(O)nn3)CC2)cc1OC 23739280 ULCHJTRHSCTSDS-UHFFFAOYSA-N 358.398 1.157 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)c1ccc2nc[nH]c2c1 2037849831 SEKSOUXLTMGUJO-IBGZPJMESA-N 369.400 1.858 0 40 FDAB Cn1cnc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037984488 CHAHNPPCJUXNEF-LJQANCHMSA-N 354.410 1.316 0 40 FDAB Cn1c(O)nc(N2CCN(C(=O)CSCc3ccccc3)CC2)cc1=O 1565519335 LTBSWRHFDFBWCY-UHFFFAOYSA-N 374.466 1.068 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1csnn1)C2 1565555124 SRWSIBOFWUBMNZ-HNNXBMFYSA-N 363.468 1.163 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565552686 SONWDANSTRKTIF-AWEZNQCLSA-N 362.865 1.487 0 40 FDAB COc1ccc(OC)c(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 4945150 NYDKBWIIHAMEMK-JTQLQIEISA-N 371.397 1.228 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1S(C)(=O)=O 10256000 OPANUAPLKQIERX-OAHLLOKOSA-N 358.419 1.408 0 40 FDAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 12417745 DWKXWSHPICQWLV-TXEJJXNPSA-N 365.455 1.189 0 40 FDAB CCNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 22906683 YHQHZJOEKBGHQH-GOSISDBHSA-N 352.438 1.433 0 40 FDAB O=c1c(=O)n(C2CCCCC2)ccn1Cc1nc(-c2cnccn2)no1 1775968049 LIYCZMOMFGKVHK-UHFFFAOYSA-N 354.370 1.404 0 40 FDAB O=C(N[C@@H](N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccccc1 28294273 DLZLVYBSRRTICU-FUHWJXTLSA-N 372.446 1.402 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CCC[C@@H](Oc3cccnn3)C2)c1C 225459008 NCNOGZANTFVKSH-CQSZACIVSA-N 365.459 1.542 0 40 FDAB CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 31284722 OAQCWJLAZOQSQJ-CQSZACIVSA-N 355.394 1.555 0 40 FDAB C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@@H]1O 100773322 RLUORQGMBKDXPO-DOEBNNCYSA-N 352.434 1.675 0 40 FDAB endogenous,in-man CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 51530202 XXHOQFDFCBTQGB-AEFFLSMTSA-N 362.451 1.644 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)n[nH]1 21096348 QUFVWKCEHRPUOQ-UHFFFAOYSA-N 355.372 1.404 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2ccncc2)c2ccccc21 101440888 IGESXEAWVUFFQO-INIZCTEOSA-N 352.394 1.310 0 40 FDAB COc1ccc(-n2ccn3c(CCC(=O)NC4CC4)nnc3c2=O)cc1 21540519 XEGUZPZGCWMOIG-UHFFFAOYSA-N 353.382 1.100 0 40 FDAB COc1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1OC 21699958 CIGHLIQOMBOODX-ZDUSSCGKSA-N 359.444 1.568 0 40 FDAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 32903414 KPEKZIWKXWHSLM-OAHLLOKOSA-N 356.469 1.712 0 40 FDAB CN1CCN(C(=O)[C@H]2CCCN2C(=O)CSc2ccc(F)cc2)CC1 32912922 JWUAKCRATORPIK-MRXNPFEDSA-N 365.474 1.683 0 40 FDAB COC(=O)C1CCN(Cc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)CC1 21848540 RFSZBFCXEUEHLC-UHFFFAOYSA-N 361.398 1.325 0 40 FDAB CC(C)c1cccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c1 22844506 VLKJFSXMXMWRID-UHFFFAOYSA-N 372.513 1.989 0 40 FDAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 3015887 HAZSTKZBPBKRNV-UHFFFAOYSA-N 369.425 1.257 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2cccs2)CC1 23731622 RESMEMFSBVOSGZ-UHFFFAOYSA-N 368.462 1.872 0 40 FDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Cl)cc2c1OCC2 97086289 QNTLHUXIZBNSQE-LLVKDONJSA-N 354.819 1.680 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 24989112 UBZULQAJAHBMLL-QGZVFWFLSA-N 362.393 1.906 0 40 FDAB COc1ccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)cc1OC 57392137 HTXRIKYGMWUUAL-AWEZNQCLSA-N 371.441 1.643 0 40 FDAB Cc1cccc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)c1C 113961896 UNUYOMARCQCOMO-UHFFFAOYSA-N 354.472 1.708 0 40 FDAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 100355450 VBGOURWEMQKEQW-PBHICJAKSA-N 368.320 1.961 0 40 FDAB O=C(c1cc2c(cc1O)CCCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 84338802 BUHBKRZWXVQPJR-QGZVFWFLSA-N 372.465 1.982 0 40 FDAB CS(=O)(=O)c1ccc(OC[C@]2(CNC3CCC3)C[C@H](O)[C@H](O)C2)cc1 107283804 HMTPGBCCJDMCSU-PIIMJCKOSA-N 369.483 1.113 0 40 FDAB biogenic,in-vitro CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 58202117 LDEQCMWWIJSMSG-CQSZACIVSA-N 374.441 1.353 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(N2CCNC2=O)c1 48237018 ITRAWILRCQHFHB-UHFFFAOYSA-N 365.455 1.902 0 40 FDAB C[C@@H]1NC(C(=O)N(Cc2nccn2C)C2CC2)=NN(c2ccccc2)C1=O 58314854 PUVKRFZYPZBXID-ZDUSSCGKSA-N 366.425 1.250 0 40 FDAB COc1ccc(NC(=O)N(C)C[C@@H](O)COCCOC(C)C)cc1OC 58407254 UQZUKLFBBBZORB-OAHLLOKOSA-N 370.446 1.970 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)NCCN2CCCCC2)ccc1OC 26112171 VEXXETJILYEFQR-UHFFFAOYSA-N 369.487 1.209 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 36389627 NQVTYMHPUKJAAN-UHFFFAOYSA-N 367.449 1.769 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc(C(C)=O)c[nH]2)CC1 21623418 DNYDSDKOVOZHHM-UHFFFAOYSA-N 365.386 1.111 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)o1 2630118 LMHDYFFFDZCARC-GOSISDBHSA-N 356.334 1.796 0 40 FDAB CS(=O)(=O)CCCNCc1cc(Br)c2c(c1)OCO2 38047472 IFDIMTYAPCRFGE-UHFFFAOYSA-N 350.234 1.702 0 40 FDAB CCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n[nH]c1=O 8941334 CIYHABMESSKLGJ-SNVBAGLBSA-N 355.464 1.621 0 40 FDAB O=S1(=O)C[C@H](NCc2ccco2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371451 MBBRAHUTEQPSBO-GJZGRUSLSA-N 373.427 1.148 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2 4077232 KMBXBTKPUNFFIS-UHFFFAOYSA-N 363.373 1.955 0 40 FDAB Cc1ccc(NC(=O)COC(=O)C2=NNC(=O)CC2)c(Br)c1 4349276 SHYSPKMBNGLZHA-UHFFFAOYSA-N 368.187 1.505 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1nnc2ccccn12 5452245 GCVHHZQCCSLVEU-GOSISDBHSA-N 365.437 1.843 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 5598887 VBKNEFOZYNNFAX-OAHLLOKOSA-N 361.375 1.960 0 40 FDAB CN([C@H]1CCCN(Cc2ccccc2F)C1)S(=O)(=O)N1CCOCC1 72143447 YQYYREUBVOZCTN-INIZCTEOSA-N 371.478 1.299 0 40 FDAB C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 16042666 CJXLSBLMLVFCIW-KXDDBMSCSA-N 365.364 1.771 0 40 FDAB biogenic CCOc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCC1 408696378 APWCFOZERWSGGG-UHFFFAOYSA-N 368.455 1.342 0 40 FDAB CCCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 68728540 CXQMKEXALRMVRY-UHFFFAOYSA-N 367.471 1.069 0 40 FDAB COc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2OC)c(OC)c1 8708147 ZDVXHOCGRNIBHR-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB CN1CCN(C[C@@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)CC1 95446740 YERNEZMPAFWCEC-IBGZPJMESA-N 354.502 1.727 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCc2nnc(C)n2C2CC2)cc1OC 95941924 AOIREFVGSCGXKY-UHFFFAOYSA-N 366.443 1.726 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCC(C)C)cc1C 28209715 FBVYQEBUCGJWNA-AWEZNQCLSA-N 368.455 1.456 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 217533362 TZGZGPFTNLGVFJ-GFCCVEGCSA-N 356.444 1.688 0 40 FDAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 20042237 QDSLGFJIZOCAKP-KRWDZBQOSA-N 367.515 1.562 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1Br 35612112 VJUVOFQKAUGPTQ-UHFFFAOYSA-N 350.234 1.603 0 40 FDAB Cc1ccccc1-n1ncc2c1N(CC(=O)N(C)C)C(=O)N1CCCN=C21 72336728 PSJDMTNDPKGOSJ-UHFFFAOYSA-N 366.425 1.661 0 40 FDAB O=C1CC[C@H](C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)N1 85555694 MYUGZAALFYOPGP-MRXNPFEDSA-N 366.425 1.020 0 40 FDAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)[C@]12CCCO2 572701595 WBMNHCPUNJQREK-RCCFBDPRSA-N 368.499 1.753 0 40 FDAB O=C1CO[C@@]2(COCCN(c3ccccn3)C2)CN1c1cccc(F)c1 96240113 DFDDJARAODDFFD-LJQANCHMSA-N 357.385 1.860 0 40 FDAB Cc1cccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 96255682 LFXNVBROVGMEDZ-UHFFFAOYSA-N 352.486 1.533 0 40 FDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96225898 ASEDOIATXKNBES-GOSISDBHSA-N 361.398 1.070 0 40 FDAB O=C(c1cscn1)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 96207893 AIESTUPAXJJFCZ-YOEHRIQHSA-N 351.472 1.629 0 40 FDAB O=C(COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1cccnc1)N1CCCC1 96082852 FNVUNVZAFXLFCM-GBESFXJTSA-N 359.470 1.700 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040398 FMQXBZTZJFFECO-APWZRJJASA-N 354.410 1.962 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(O)CCSC1 583622047 HJERCZDDRSFBHE-XEZPLFJOSA-N 357.451 1.188 0 40 FDAB CCCNC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C)n2c1 96156605 CLKNHDJRBFGIHL-INIZCTEOSA-N 356.474 1.568 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)s1 248094968 MJHQPKJTWQDNIM-CQSZACIVSA-N 368.528 1.824 0 40 FDAB CN(C)C(=O)[C@@H]1CN(C(=O)NC2(c3ccccc3Cl)CC2)CCO1 584888241 XPHCMFJGUNUQOV-AWEZNQCLSA-N 351.834 1.828 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-n2cnnn2)cc1 24653254 MMHFZWILARHXRT-HNNXBMFYSA-N 351.366 1.574 0 40 FDAB CCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1c1ncc[nH]1 585084961 JVVLOGZFTWKCKH-LBPRGKRZSA-N 370.379 1.839 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24689561 LTYXINWSEFIJPV-AWEZNQCLSA-N 374.890 1.958 0 40 FDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc2c(c1)OCCCO2 257243730 IIGYOLAYNHWCGO-HKUYNNGSSA-N 362.426 1.402 0 40 FDAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3ccccn3)[C@H](O)[C@@H](C)O2)c1 257215492 CQJDEEFIEYUNRV-LCPZFUNLSA-N 372.421 1.462 0 40 FDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc(C)cc3)CC[C@@H]2O)CC1 257201395 AHNGEXLIXHZIIS-OALUTQOASA-N 359.470 1.125 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cnn(C)c1)C2 257218092 DBWNDISRQKDPTR-GGPKGHCWSA-N 367.453 1.102 0 40 FDAB CCn1nccc1-c1cnc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257321926 WDWHSCYRLRGNAX-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB Cc1nc(-c2nccn2C)cc(C2CCN(C(=O)c3cnccn3)CC2)n1 257285558 PHSUCQDLMJVRDD-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1)C2 630672634 LFCJRXWELNRGAZ-HOTGVXAUSA-N 358.442 1.565 0 40 FDAB Cc1cccc(CN(C)C(=O)[C@H]2CC[C@H](C(=O)O)N2c2cnn(C)c2)c1 630662372 DRENLANTXGGTNH-IAGOWNOFSA-N 356.426 1.809 0 40 FDAB CN(C)C(=O)c1ccc(OC2CCN(CCc3cnn(C)c3)CC2)nc1 639806531 JKFIJNSTVFOPNV-UHFFFAOYSA-N 357.458 1.603 0 40 FDAB Cc1nccc(N2CCN(C(=O)[C@@]3(C)OCCc4ccccc43)CC2)n1 640115998 RAMYBWRNVKSEGW-FQEVSTJZSA-N 352.438 1.922 0 40 FDAB CCOc1cc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)ncn1 90593538 OVWUDSMTLUCUSJ-UHFFFAOYSA-N 369.356 1.872 0 40 FDAB CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)[C@@H]1C(C)C 1775956876 AOUMAPNCYVBTNK-XSYGEPLQSA-N 356.470 1.934 0 40 FDAB CN1C[C@@H](NC(=O)c2cnn3cccc(Cl)c23)[C@H](c2cncn2C)C1 1775959959 JSZFWAQROVCAED-TZMCWYRMSA-N 358.833 1.549 0 40 FDAB COc1ccc([C@H]2CN(CC(=O)NCc3ccccn3)CCO2)cc1OC 1620673295 WAFPEOZNKFQPRW-LJQANCHMSA-N 371.437 1.789 0 40 FDAB COC(=O)c1cn(NC(=O)CCNc2ccccc2)cc2c(O)nnc1-2 604418950 YAVDLZJSXKMJOL-UHFFFAOYSA-N 355.354 1.447 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1c1ccnn1C 1615546928 IPIFTUYIYQZLSQ-HUUCEWRRSA-N 371.441 1.421 0 40 FDAB COC(=O)[C@@H]1CCn2c(nnc2-c2nn(C(C)C)c(=O)c3ccccc23)C1 601043496 BUZKVGDPMUBRDR-GFCCVEGCSA-N 367.409 1.971 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)N3CCCC3)C2)C1 96225038 IMUNXEXQBLRZNA-GOSISDBHSA-N 357.414 1.847 0 40 FDAB CCc1noc(CCC(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)n1 585272693 PPMJNHITNSIVJU-LJQANCHMSA-N 359.426 1.397 0 40 FDAB CCN1CCN(CC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)CC1 585275446 FAQBJLXRNAGWBB-PMACEKPBSA-N 359.514 1.527 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1 68516603 DDHCDFDEZLCPCH-UHFFFAOYSA-N 357.376 1.868 0 40 FDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc2ccccc12 1615147839 HBQMKEQBDGDXPF-ZMYBRWDISA-N 358.438 1.764 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)n1)NCc1nnnn1-c1ccccc1 1626874676 YNTDHMVBGJTALK-UHFFFAOYSA-N 362.315 1.935 0 40 FDAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1nc(Cn2cncn2)n[nH]1 5763547 NWZXYVJACIXMGP-UHFFFAOYSA-N 353.264 1.595 0 40 FDAB CN1[C@@H](C(=O)Nc2cccnc2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12117600 OQFQECPVYVGHLP-LSDHHAIUSA-N 364.402 1.439 0 40 FDAB CCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C)nc1O 13407916 XPSADDKSZOCPFH-UHFFFAOYSA-N 350.400 1.872 0 40 FDAB CN(C)CCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 13736280 HWGQQJDCZPZXQC-UHFFFAOYSA-N 372.469 1.570 0 40 FDAB CCNC(=O)NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524029 GBKSQAWOURZEGY-UHFFFAOYSA-N 373.379 1.458 0 40 FDAB 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FDAB Cn1cncc1C(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615121555 NFILHCLEDBOUPX-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439285 MIQDKVHPEQQLNG-UHFFFAOYSA-N 373.434 1.968 0 40 FDAB CCOC(=O)C1CCN(CC(=O)Nc2ccsc2C(=O)OC)CC1 5716837 SHAXXJYEARRHJB-UHFFFAOYSA-N 354.428 1.748 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccccc1Cl 5798528 JISDDEJJDJMQDJ-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2C=CCN2c2cc(C)nc3ncnn23)cc1 12144949 AGJXYNDRFMAAJR-INIZCTEOSA-N 364.409 1.503 0 40 FDAB O=C(NCc1nnc2n1CCC2)c1ccc(S(=O)(=O)C(F)F)cc1 12990678 YCFFADFVPFMSQQ-UHFFFAOYSA-N 356.354 1.151 0 40 FDAB Cc1ncsc1C(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706438 QYPDYBZBMLJJLL-CYBMUJFWSA-N 360.487 1.898 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)N1CCCCC1 10256685 YPKXJAFPJLQEIA-UHFFFAOYSA-N 351.472 1.219 0 40 FDAB COC(=O)[C@@H](CO)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 10030427 PEXYVRJOBXPDGH-CQSZACIVSA-N 371.418 1.865 0 40 FDAB CCn1cnc2c(N3CCN(c4nc(COC)ns4)CC3)ncnc21 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COC(=O)Nc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1 12440423 CHEPTEXLZILJBM-UHFFFAOYSA-N 362.415 1.003 0 40 FDAB CC1=C(C(=O)OC2CCCCCC2)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1 19461919 ZHCUUKBAHUCMNI-VQTJNVASSA-N 357.406 1.902 0 40 FDAB COc1cncc(O[C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 225496595 LPONRRSTXYLONK-CQSZACIVSA-N 367.409 1.905 0 40 FDAB CC(C)(CNC(=O)CCn1cnc2ccccc2c1=O)N1CCOCC1 40043189 DZJHBYVKJVRSER-UHFFFAOYSA-N 358.442 1.014 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3C(C(=O)OCc4ccccc4)=NN[C@H]3C2=O)cc1 100916151 YASHCXBRCRLSEF-JKSUJKDBSA-N 363.373 1.556 0 40 FDAB CCN(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1cccc(C)c1 32825829 BEUAMGXGLOSDIN-HOTGVXAUSA-N 355.504 1.765 0 40 FDAB CCc1ccc2c(COC(=O)CC[C@@H]3NC(=O)NC3=O)cc(=O)oc2c1 19001580 QQADIBRXYGHMMO-ZDUSSCGKSA-N 358.350 1.387 0 40 FDAB CN1CCN(c2ccc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)nc2)CC1 76959189 CZWSBGKSTUFOEO-QGZVFWFLSA-N 356.401 1.915 0 40 FDAB COC(=O)C(=O)[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC 1624499 LNVMKHISVRWPDN-SNVBAGLBSA-N 361.272 1.565 0 40 FDAB O=C(CNC(=O)c1cnccn1)NCCn1ccc2ccc(Cl)cc21 79488150 FLNOIRNDNBLFOH-UHFFFAOYSA-N 357.801 1.631 0 40 FDAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(=O)n(C)n2)C[C@H](C)O1 22973955 PPFAHWQDPDQUEJ-STQMWFEESA-N 370.409 1.282 0 40 FDAB Cc1cc(C)c(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c(C)c1 22930405 KPUAYXALBYFGLB-UHFFFAOYSA-N 372.513 1.790 0 40 FDAB CC(=O)Nc1ccc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 3373677 WFUNPNZHZRDXJJ-UHFFFAOYSA-N 367.365 1.739 0 40 FDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 6138694 BBBBWCWNVHZLBF-ZDUSSCGKSA-N 370.471 1.631 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C 6602662 JADGHHHVAAQXTJ-UHFFFAOYSA-N 360.391 1.862 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1 7318372 MLQGLGUIGQOCLH-UHFFFAOYSA-N 374.470 1.411 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C)C(=O)N1CCNC1=O 24202237 KDFIITXMUBYEIQ-LRDDRELGSA-N 371.393 1.434 0 40 FDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c1 109019638 VDOCHVMPVXCZPB-MJBXVCDLSA-N 362.426 1.693 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CSc2nccn2C2CC2)c2ccccc2O1 12538838 PJIGUWVJORHBKR-HNNXBMFYSA-N 372.450 1.850 0 40 FDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 12557013 FICKNFMCNHHSFI-UHFFFAOYSA-N 362.379 1.674 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cc(F)cc(F)c2)cc1 43881034 INMFBKGSCVSSRZ-UHFFFAOYSA-N 355.366 1.976 0 40 FDAB Cc1nnsc1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108535875 KMWGJCADISZHEF-GJZGRUSLSA-N 359.455 1.357 0 40 FDAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 10026100 MJIIUILDOLELLG-UHFFFAOYSA-N 367.405 1.984 0 40 FDAB Cc1ccoc1C(=O)NC1CCN(Cc2nnnn2-c2ccccc2)CC1 58218420 SGUNIXLAFCLLFJ-UHFFFAOYSA-N 366.425 1.958 0 40 FDAB Cc1csc(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 12778684 GYSLWCQLKRLRLU-UHFFFAOYSA-N 369.493 1.780 0 40 FDAB CN(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cn1 28984609 FAERBINXWXTWPL-UHFFFAOYSA-N 360.439 1.940 0 40 FDAB COc1cc(C(=O)N2CCN(c3cnccn3)CC2)cc2c1OCCO2 11545039 FSXBHRBVKZHCRZ-UHFFFAOYSA-N 356.382 1.219 0 40 FDAB CN(C)c1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cn1 24044908 RFYQGFXQLUSLBT-UHFFFAOYSA-N 353.382 1.452 0 40 FDAB COc1ccc(C)cc1NC(=O)CSc1nc(C)c(CCO)c(=O)[nH]1 11905803 QVKMPIWADDILRE-UHFFFAOYSA-N 363.439 1.661 0 40 FDAB CCc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(C)cc1 12972943 YXMHCLYTZNISTL-CQSZACIVSA-N 361.467 1.908 0 40 FDAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 12924941 CPKUHHAJZIQQCV-LBPRGKRZSA-N 358.423 1.712 0 40 FDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709115 OQWSCRLLTBKJLL-LBPRGKRZSA-N 359.382 1.035 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 8945685 QRTFBELXIJOAJX-KXBFYZLASA-N 359.426 1.529 0 40 FDAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 4019148 XETXTEAPMQOLHX-BODMPHMZSA-N 356.422 1.867 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71288483 OMMBCPHGGGQIFV-CHWSQXEVSA-N 370.427 1.241 0 40 FDAB COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)cc2OC)cc1 65198079 URVVUUIUZWXAON-CQSZACIVSA-N 359.382 1.159 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cn1 14085221 CQXPIWXAIYIBBW-JTQLQIEISA-N 369.834 1.530 0 40 FDAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccco1)C3 4502355 LTDBXNHBINGNOP-SECBINFHSA-N 358.379 1.895 0 40 FDAB Cc1cc(NC(=O)CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccccc2)no1 9315120 GCZPXKBPYQCEQS-LBPRGKRZSA-N 359.386 1.590 0 40 FDAB Cn1cc([C@@H]2CN(S(=O)(=O)Cc3noc4ccccc34)CCO2)cn1 97137551 FVKBZBJBWMNKJD-INIZCTEOSA-N 362.411 1.465 0 40 FDAB C[C@@H](C(=O)Nc1cnn(CCN(C)C)c1)S(=O)(=O)c1ccc(F)cc1 71846719 UXJBSPAZUDRBPU-LBPRGKRZSA-N 368.434 1.385 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCCNc2cccc(C)n2)c1 72307471 QSOCGQPYPHMPNR-UHFFFAOYSA-N 351.428 1.798 0 40 FDAB CC1=NN(c2ccc(C(=O)N(C)CC(=O)N3CCC(O)CC3)cc2)CC1 95441851 OZZCCAWGDMKOIF-UHFFFAOYSA-N 358.442 1.328 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1 409193095 BOVDUQFCJKNVSF-ZDUSSCGKSA-N 358.460 1.295 0 40 FDAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12 22795176 DIEQZPUBRSMDCG-UHFFFAOYSA-N 367.453 1.444 0 40 FDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(Cc2ccsc2)CC1 23249017 GJUNFVGNJCOWRG-CYBMUJFWSA-N 352.504 1.879 0 40 FDAB CO[C@]1(C)C[C@H](NC(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)C1(C)C 555897280 VWAABTJMZBAGDT-ZUEVXXBESA-N 360.458 1.078 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408656359 MAEBFSCZBRPSDY-MQDPRIHCSA-N 372.377 1.324 0 40 FDAB O=C(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 32101428 MSSPFFXWSLMQEF-GFCCVEGCSA-N 359.835 1.155 0 40 FDAB COc1cc2c(cc1OC)CCN(C[C@@H](O)COC[C@H]1CCCO1)CC2 517856184 HOLYVZWZSPWGMM-QZTJIDSGSA-N 365.470 1.661 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 520523106 GERGEDOYISEMPM-VIFPVBQESA-N 373.736 1.833 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)on1 62022866 ZUHNZECIHCFHPD-CYBMUJFWSA-N 353.386 1.814 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(C)(C)N1CCOCC1 70696636 CYLRVERXQZHELZ-GOSISDBHSA-N 359.470 1.187 0 40 FDAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCc1ccncc1 225402336 CRZDGJWLWNXBAI-ZWKOTPCHSA-N 370.428 1.789 0 40 FDAB biogenic,in-vitro COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 224912124 LEOBLDSLCKKKRM-UHFFFAOYSA-N 367.354 1.923 0 40 FDAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)[C@@]12CCCO2 572701592 WBMNHCPUNJQREK-KSZLIROESA-N 368.499 1.753 0 40 FDAB Fc1cnc(N2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)nc1 96244077 RQQQPFAGUAWKMI-SFHVURJKSA-N 356.405 1.906 0 40 FDAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2)nn1 96229191 WQJQXVBVPFNCII-SFHVURJKSA-N 356.430 1.267 0 40 FDAB CCc1ncncc1C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 577929179 NKVJQGRAMDIQBC-UHFFFAOYSA-N 354.476 1.362 0 40 FDAB O=C(Cc1cccnc1)N1CCOC2(CCN(C[C@H]3CCOC3)CC2)C1 96158984 VYNMVJVYCZKBBT-GOSISDBHSA-N 359.470 1.354 0 40 FDAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3c(C)n[nH]c3C)C2)c(=O)c1 583618373 QNRLYYOJQMRJEV-MRXNPFEDSA-N 374.489 1.503 0 40 FDAB CC(=O)NCC(=O)N1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 96228261 CVTFDKXSVYXSEB-UHFFFAOYSA-N 357.454 1.615 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(C)s3)C2)OC1 248112248 RHDYRXUNEXSRPY-CQSZACIVSA-N 358.529 1.977 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)c3oc4ccccc4c3C)C2)CN1C 248097246 YPQDNGRPUUBLSC-CQSZACIVSA-N 357.410 1.012 0 40 FDAB Cc1nc(CO[C@H]2CSC3(C2)CN(S(=O)(=O)N(C)C)C3)cs1 247959428 PUYQPYWWRCODAS-GFCCVEGCSA-N 363.530 1.334 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230301 OWDXQNUTULMXQF-NXEZDXNNSA-N 360.410 1.370 0 40 FDAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N2CCN(C)CC2)c1 257253324 JYLDSWCMYRVQKU-UHFFFAOYSA-N 352.438 1.772 0 40 FDAB C[C@@H]1COC(=O)N1c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 257209151 BPFGOOZOEIGTPY-GFCCVEGCSA-N 353.444 1.641 0 40 FDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257299347 RPQYDWUKNGMRTK-GFCCVEGCSA-N 350.448 1.161 0 40 FDAB O=C(c1ccc(OC(F)F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 263813541 NVHDSXVGLACKLE-ZDUSSCGKSA-N 374.409 1.233 0 40 FDAB CC(C)(C)OC(=O)COc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 597457009 KMWONLBWFNGLGR-OAHLLOKOSA-N 374.437 1.854 0 40 FDAB COc1c(C(=O)NC[C@H]2CCCN2CC(F)F)cnc2c1cnn2C 628617101 MCDHQHQEYUZKIU-SNVBAGLBSA-N 353.373 1.436 0 40 FDAB C[C@@]12CN(CC(=O)N[C@H](c3ccccc3)C3CC3)C[C@]1(C)C(=O)NC2=O 639954043 PPDVTIPAWOUFKD-AHRSYUTCSA-N 355.438 1.239 0 40 FDAB O=C(NC1COCCOC1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 655087775 MHBCUJKYCAWXKJ-UHFFFAOYSA-N 371.224 1.778 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc(C2CC2)c1 656857668 OCZYXEVZRNBYAN-KDOFPFPSSA-N 353.426 1.925 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccccc2F)CC1 670416180 VXTZZYWSCBDTTM-ZDUSSCGKSA-N 371.416 1.937 0 40 FDAB CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 95383655 IVOJXOGSEFWWIT-QGZVFWFLSA-N 362.437 1.582 0 40 FDAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccc(C)cc3)CC2)CCO1 585287444 WZNAGEJOZNPBAK-IBGZPJMESA-N 361.486 1.163 0 40 FDAB CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)CC1CCCC1 585096683 AFMBILNNZGDLSH-CQSZACIVSA-N 354.476 1.114 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1ccccc1OC 643879399 RINRBQSIHBROLV-GOSISDBHSA-N 350.415 1.219 0 40 FDAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCCCO 5660697 SZQHZAOAFHIDJI-UHFFFAOYSA-N 369.450 1.920 0 40 FDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12)OCO3 12181693 WLKXVEJETZEWRC-UHFFFAOYSA-N 356.382 1.601 0 40 FDAB COc1ccc(CNC(=O)Cn2nc3c4ccccc4ncn3c2=O)cc1 12181796 BUNPNRZAARODQS-UHFFFAOYSA-N 363.377 1.369 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cccc(Cl)c1 12755919 RDWYFGKNMYRYRQ-UHFFFAOYSA-N 368.842 1.969 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)c4ccncc4)[C@@H]32)cc1 19211661 OLCYGFMSKBSQIG-BPQIPLTHSA-N 371.462 1.972 0 40 FDAB CC(=O)N[C@@H]1CN(C)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1 19704872 UDSKBEAOWSXFJA-INIZCTEOSA-N 363.433 1.406 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)N(CCO)C(C)C)CC2=O)cc1OC 4479764 MRVZHKUWATUXTO-CYBMUJFWSA-N 365.430 1.221 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O 8844915 NSLGVXTUSXWZRD-CWTRNNRKSA-N 373.409 1.897 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 647928635 QNEKHKKCMPIJJK-INIZCTEOSA-N 355.412 1.266 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)nc2n1 5021436 JGZXCPYDAAQNFM-GFCCVEGCSA-N 365.393 1.876 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccnn5C)C[C@H]4C3)n1)CCC2 1888866300 UOMLFEXDLFVTNX-ZIAGYGMSSA-N 352.442 1.216 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)cn1 1888897854 OQVLNSDXYIZBHJ-GFCCVEGCSA-N 367.413 1.276 0 40 FDAB Cc1cc(=NC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)[nH]o1 2037916154 ROYIRPDMPIUWSM-IBGZPJMESA-N 359.426 1.639 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 1565546113 UCIWIMJEZIGURF-XLSPSMHOSA-N 355.438 1.315 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)N(C)Cc2ccccc2)cc1 4940936 KUGFWFAWMNVBNY-UHFFFAOYSA-N 362.451 1.887 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccs4)nc32)c1 5271202 IPFBDATYNQFGHV-UHFFFAOYSA-N 367.390 1.945 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCC(C)C 5339881 HQABHZRJXAUNNQ-UHFFFAOYSA-N 353.444 1.246 0 40 FDAB CCCc1cnc2c(c1SCCN1CCCC1)c(=O)n(C)c(=O)n2C 10216781 RLGNDWWGBAVKPO-UHFFFAOYSA-N 362.499 1.773 0 40 FDAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc3c(c2)OCO3)cc1C 15941485 ITHSCVUNXPSJBK-UHFFFAOYSA-N 351.366 1.938 0 40 FDAB COCCNC(=O)[C@H]1CCc2c(C(=O)NCc3cccs3)ncn2C1 2055714717 MUWKECGFNREMJJ-LBPRGKRZSA-N 362.455 1.200 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2csc(C)n2)CC1 2055708213 VLPAQVLJCJWJIX-UHFFFAOYSA-N 363.487 1.402 0 40 FDAB Cn1cccc1[C@H](CNC(=O)C(=O)NC1CC1)N1CCc2ccccc2C1 21155828 YOIJGLTXURKACA-IBGZPJMESA-N 366.465 1.519 0 40 FDAB Cn1cc(C(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)nn1 1775974488 HXYZPTODIXDWRR-UHFFFAOYSA-N 370.800 1.389 0 40 FDAB O=C(NCc1ccccc1)C(=O)NCC1CCN(Cc2ccco2)CC1 23127459 UFISFBHMXDYRBH-UHFFFAOYSA-N 355.438 1.924 0 40 FDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc(OC(F)(F)F)cc1 206889798 SCBJMAFRAYREFM-GFCCVEGCSA-N 356.300 1.538 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](Oc2ncccn2)C1)OCc1ccccc1 575613378 QJUBUSMDFOAIMW-INIZCTEOSA-N 370.409 1.773 0 40 FDAB CC(=O)Nc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 40062029 BFUAXKKFBRDNCK-QGZVFWFLSA-N 366.377 1.671 0 40 FDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 40088269 OPQQVHSCZBZHFJ-AWEZNQCLSA-N 362.455 1.486 0 40 FDAB O=C(NCCc1c[nH]cn1)c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O 31809116 PDZBTIRUXIQHEA-UHFFFAOYSA-N 352.394 1.921 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCC1(c2cccc(F)c2)CC1 101217926 RHLDDOBBHDDBSV-LUVWLHFXSA-N 368.408 1.781 0 40 FDAB NC(=O)[C@H]1CN(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCO1 51587678 BOFKVHANZUEQTK-CYBMUJFWSA-N 374.422 1.718 0 40 FDAB CN(C)c1cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)ccn1 78850229 DNWTWVNNEUMNKK-AWEZNQCLSA-N 352.394 1.605 0 40 FDAB CC(C)C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCOCC1 22611735 PHEBFIQEBQTODG-AWEZNQCLSA-N 358.442 1.400 0 40 FDAB COc1cc(C(=O)NCCCOC(C)C)cc(Cl)c1OCC(N)=O 22698748 VCLSFEZBTKLNPG-UHFFFAOYSA-N 358.822 1.758 0 40 FDAB CCC(=O)c1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1 6285514 CEXYHVWXUZCNOO-UHFFFAOYSA-N 354.410 1.797 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCc1ccccc1F 7946021 JRYJFCMTKYSOPK-UHFFFAOYSA-N 369.352 1.433 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(Cc4ccco4)CC3)cnc12 23717413 JIDRQRYRUGDXMR-UHFFFAOYSA-N 366.421 1.642 0 40 FDAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298028 ZUHUKGONCRQMLW-KSZLIROESA-N 369.469 1.418 0 40 FDAB biogenic,in-vitro COc1cc(OC)c([C@H]2CCN(C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O 34453316 IGPSCQDNVKUGLW-WFASDCNBSA-N 351.399 1.963 0 40 FDAB COC(=O)c1ccc(COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 103061473 MKWDWHMNTXVCIF-HUUCEWRRSA-N 357.362 1.468 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)on1 25436244 WRSRJAMCYMEIHI-UHFFFAOYSA-N 356.426 1.674 0 40 FDAB CCNC(=O)c1ccc(C)c(NCC(=O)NC(=O)NCC(F)(F)F)c1 55857753 YDHNHIGRZNFUMF-UHFFFAOYSA-N 360.336 1.545 0 40 FDAB COc1ccccc1N1CCN([C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 57406033 ZAZHFUDQIIOASI-YESZJQIVSA-N 361.486 1.842 0 40 FDAB COc1cccc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)n1 108531038 CLOCEMSPYIRLAR-UHFFFAOYSA-N 351.472 1.527 0 40 FDAB CN(C)C(=O)CN1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 58194917 ZOMSPGTWBDVMPU-UHFFFAOYSA-N 367.497 1.567 0 40 FDAB CC(C)C[C@H]1NC(=O)N(C[C@@H](O)COc2ccc3c(c2)OCO3)C1=O 58174461 UINLMWKTHDYRDF-DGCLKSJQSA-N 350.371 1.122 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36071141 QWJKVEARBALUSW-HNNXBMFYSA-N 361.423 1.422 0 40 FDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 58202126 JXFWOVKPWBYSPK-LLVKDONJSA-N 370.500 1.890 0 40 FDAB CCc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737858 ASEZGHUHHIRADS-IAGOWNOFSA-N 369.469 1.462 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccccc1OC 2129952 HYXVJGACAQWMLB-AWEZNQCLSA-N 356.378 1.570 0 40 FDAB biogenic CC1(C)NC(=O)N(CCCC(=O)NCCCOc2ccccc2F)C1=O 48234787 GVWKWNXAQZHHLZ-UHFFFAOYSA-N 365.405 1.821 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 107736448 UAILRZFZELZIHY-GFCCVEGCSA-N 366.414 1.818 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c1 58218944 HLWSFLBBKGXJOU-RDTXWAMCSA-N 363.435 1.511 0 40 FDAB Cn1cc(C(=O)OCC(=O)NCc2ccccc2OC(F)(F)F)cn1 11204276 PZSDLXAUBFLZPX-UHFFFAOYSA-N 357.288 1.792 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cnccn1 11919185 CXCJVDNPERKQMK-LBPRGKRZSA-N 353.382 1.313 0 40 FDAB O=C(COc1ccc(Br)cc1)NCCCN1CCCC1=O 3413918 WDLIPQRARXYTBQ-UHFFFAOYSA-N 355.232 1.957 0 40 FDAB Cc1cc(=O)n2nc(Sc3nn4c(=O)cc(C)nc4s3)sc2n1 13895798 XJVDCSALPPALSR-UHFFFAOYSA-N 364.437 1.383 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 13815967 OGVNBIAVLLVBEL-UHFFFAOYSA-N 357.389 1.988 0 40 FDAB COc1ccc2nnc(CCC(=O)Nc3ccc(NC(C)=O)cc3)n2n1 71286586 VRFAICALEYSBLZ-UHFFFAOYSA-N 354.370 1.663 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 71297211 JAJQTEIZYWUIRH-UHFFFAOYSA-N 358.402 1.355 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC(Cc3ccccc3)CC2)C1=O 14117881 ULYKGRPHNULSPO-FQEVSTJZSA-N 372.469 1.693 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 4514884 YWVWJHCTXWOTSF-ORAYPTAESA-N 359.426 1.812 0 40 FDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505445 KQTBTIFLOJTVBU-MRVPVSSYSA-N 358.268 1.801 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)c1C 6551887 NNJVHRRBEGKBTO-UHFFFAOYSA-N 373.394 1.983 0 40 FDAB O=C(OCc1ccc(COC(=O)C2=COCCO2)cc1)C1=COCCO1 4871309 JXDKVCLWLJUBBM-UHFFFAOYSA-N 362.334 1.549 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 9340395 YFABHQLIIPSFCR-UHFFFAOYSA-N 352.394 1.573 0 40 FDAB COC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8394494 JHZNWFJLUFXYBB-UHFFFAOYSA-N 360.819 1.074 0 40 FDAB COCCNC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 17112324 UTXMYUFXTYAGSB-KRWDZBQOSA-N 367.405 1.236 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)N(CCO)C2CCCCC2)c1 95461786 YOMUNUMVGAXWRF-UHFFFAOYSA-N 361.485 1.406 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)[nH]n1 95999068 CYONOWNRZRNMIH-HNNXBMFYSA-N 374.466 1.715 0 40 FDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1 75109981 ZXCXIHHGWIRXJK-KBPBESRZSA-N 374.576 1.708 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccco3)n2)cc1 21453864 ZQUKSKBOLIMRFW-UHFFFAOYSA-N 356.338 1.498 0 40 FDAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](C)C3)C2=O)cc1 24834094 CCEVDLIRKGQVTA-XOBRGWDASA-N 373.453 1.824 0 40 FDAB O=C(NCC(=O)N1CCc2ccccc2C1)c1nnc(O)c2ccccc12 523267350 TUHRYIBVPPGNQU-UHFFFAOYSA-N 362.389 1.650 0 40 FDAB CC(C)c1n[nH]c(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)n1 79480505 OTMGSSCYGZKUOM-UHFFFAOYSA-N 368.397 1.602 0 40 FDAB COCc1ccc(OC)c(CN2CCn3c(nnc3C3CCNCC3)C2)c1 72372108 OSMFIGGRJJFSJQ-UHFFFAOYSA-N 371.485 1.916 0 40 FDAB COC(=O)[C@@]1(CC(=O)N(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340268 VWFDYJRCOOVJST-GQIGUUNPSA-N 358.438 1.630 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 218346287 WHFOXFFJNLWRJE-QWHCGFSZSA-N 358.387 1.449 0 40 FDAB O=C(NN1CCOCC1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 49371917 GZSXKHFEDMJWLI-AWEZNQCLSA-N 357.414 1.316 0 40 FDAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 45858779 VMHQLTUMOPATFA-SMDDNHRTSA-N 359.407 1.913 0 40 FDAB Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ncc3c(F)cccn23)cn1 529137721 ARNNRGWSAWCREJ-HWRSSNJWSA-N 361.402 1.153 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)NCc3nnc4n3CCCC4)CC2=O)c1C 41139625 XNFVVUYKJJWSJX-HNNXBMFYSA-N 367.453 1.901 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 223264047 OGBWWJJQMQDGOZ-OAHLLOKOSA-N 368.455 1.031 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)c(C2CC2)n1 578518287 PRRPBAWCNGKYMZ-CYBMUJFWSA-N 351.414 1.667 0 40 FDAB CCn1nnc2c(N3CC(C(=O)Nc4ccc(F)c(F)c4)C3)ncnc21 96096787 GMBSJZNXUJIRMG-UHFFFAOYSA-N 359.340 1.594 0 40 FDAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)c2ccnnc2)n1 96056646 NMMZALSQKJPYRY-IRXDYDNUSA-N 351.410 1.586 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 245284702 UDICIPZKIVPQEI-DFXHGPDCSA-N 350.418 1.987 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(CC2CCOCC2)Cc2ccnn21 247480067 INOFHIVAXFHBSC-SFHVURJKSA-N 362.474 1.209 0 40 FDAB Cc1cn([C@H]2CCN(CCOc3ccccc3)CC[C@@H]2O)c(O)nc1=O 257300120 RSYXTSYBQAOYBQ-IRXDYDNUSA-N 359.426 1.334 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ncc[nH]1 257261849 LIZWQZCKBYEOCU-NCOADZHNSA-N 356.426 1.185 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCc2ccncc2)c1 257225083 FETDHVSMSGBBKZ-UHFFFAOYSA-N 363.421 1.876 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCc1ccc([C@@H](O)c2cccs2)s1 85562192 IUSJOOSMGTVQSZ-INIZCTEOSA-N 364.448 1.657 0 40 FDAB O=C(CCc1ccccc1Br)N1CC(N2C(=O)COC2=O)C1 252533153 FZQAHHXALNOWLS-UHFFFAOYSA-N 367.199 1.571 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 264957067 XVGKWVGUTSDHIO-RYUDHWBXSA-N 361.485 1.292 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2[nH]cnc2c1 614121525 DQRJDKSRCLVLNZ-INIZCTEOSA-N 363.377 1.953 0 40 FDAB C[C@@H](C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)n1cnc2c(N)ncnc21 614624942 BGVMCXDPDQRUHO-CORIIIEPSA-N 367.413 1.353 0 40 FDAB O=S(=O)(CC[C@@H]1CCc2ccccc21)N1CCN2CCOC[C@@H]2C1 641420548 CDRBBGWCUXYZFF-IRXDYDNUSA-N 350.484 1.453 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1C 646045760 PJQTWQLQIGSPAC-MRXNPFEDSA-N 355.456 1.850 0 40 FDAB C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 391819412 NQTKWEGBRHWLDT-DTWKUNHWSA-N 360.819 1.313 0 40 FDAB Cc1c(CN2Cc3ccnn3CC[C@H]2CNC(=O)CC2CC2)cnn1C 585096829 DLONOAVIBIYPEI-KRWDZBQOSA-N 356.474 1.616 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)Cn2ccnc2C)[C@@H]1Cc1ccccc1 585280180 BZPRUTANMFETKL-OALUTQOASA-N 354.454 1.930 0 40 FDAB C[C@@H](C(=O)Nc1ccc(-c2cn3ccnnc3n2)cc1)N1CCCC1=O 72346648 WBJGLZRNUGJELM-LBPRGKRZSA-N 350.382 1.741 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38946843 ROOARJKDDAWADH-HZPDHXFCSA-N 368.437 1.517 0 40 FDAB CCS(=O)(=O)c1cccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)c1 97377685 HVFACANSIQUPLF-UHFFFAOYSA-N 373.456 1.315 0 40 FDAB CC(C)n1cc(C[C@H]2NC(=O)N(Cc3nc(C(C)(C)C)no3)C2=O)nn1 548335024 LQRKTBNMVQOJDE-LLVKDONJSA-N 361.406 1.203 0 40 FDAB COc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(OC)c1 5215986 JAZPTTBACSVXGN-UHFFFAOYSA-N 361.375 1.731 0 40 FDAB CCOCCCNC(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115348 RMEWPZONPAFYME-UHFFFAOYSA-N 362.455 1.870 0 40 FDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2cnoc2-c2ccncc2)CC1 12220071 RNDQPONIAMNFPP-UHFFFAOYSA-N 364.427 1.226 0 40 FDAB C[C@@H](NC(=O)COC(=O)c1nccnc1N)c1ccc2c(c1)CCCC2 12791712 GVTABCOJLUAERR-GFCCVEGCSA-N 354.410 1.972 0 40 FDAB CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC)CC3)C2=O)C1 19699901 NYFYMLSYMQFDIW-AWEZNQCLSA-N 350.463 1.184 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@H](C(=O)Nc2ccccc2)C1 19747638 IKBBQZJCJCBEIO-AWEZNQCLSA-N 360.439 1.970 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(Br)c(C)c1 643940226 BMFGNAPSGXQFJV-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)cc1 17012353 JWUHLHUKZOHMPV-UHFFFAOYSA-N 355.442 1.822 0 40 FDAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O[C@H]2CCOC2)nc1 244950872 FPPDJJGVCXVHIZ-AWEZNQCLSA-N 365.430 1.894 0 40 FDAB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2Br)CCO1 574041273 KBTDNWRADZRWMA-NSHDSACASA-N 364.217 1.064 0 40 FDAB Cn1nnc2c1CCN(C(=O)CCc1cncnc1)[C@H]2COCC1CC1 1565549053 ODWUTFCKPRKVSG-INIZCTEOSA-N 356.430 1.090 0 40 FDAB CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1 4061403 PBWNLNFVZQCNJB-UHFFFAOYSA-N 373.438 1.745 0 40 FDAB COCC(=O)N1CCC2(CC1)CN(CC(C)C)C[C@]21CCN(C)C1=O 2055796042 PCGKICPCUGZQFN-IBGZPJMESA-N 351.491 1.062 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1cccc3[nH]ccc13)CC2 2055731758 SDSGTBYVTSXNHL-CYBMUJFWSA-N 374.466 1.852 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1nccnc1-c1cccnc1 585150363 BRCIZYHAWRRWIP-UHFFFAOYSA-N 372.388 1.565 0 40 FDAB COc1ccc([C@@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 211089327 SVRBFMQYDLTZQN-BBRMVZONSA-N 372.421 1.731 0 40 FDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(C(F)(F)F)n[nH]1 30604626 ZLYUFBJVWUIZRM-UHFFFAOYSA-N 353.264 1.840 0 40 FDAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1-c1cccc(F)c1 101041983 KSHMSKQUGOXYNO-MRXNPFEDSA-N 353.353 1.606 0 40 FDAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 52823279 VBHNNLYTTQTIBO-HIFRSBDPSA-N 356.513 1.849 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CC1 8879765 WQQCJCJPRSSSRO-INIZCTEOSA-N 354.410 1.690 0 40 FDAB biogenic C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 22185746 DRGNELHLPXDGSL-AWEZNQCLSA-N 372.498 1.833 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 1361754 INNFPMQMUOEOQH-GFCCVEGCSA-N 354.362 1.846 0 40 FDAB NC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)n1 78869226 YYJIMIDHGFXDFH-UHFFFAOYSA-N 364.764 1.732 0 40 FDAB COc1ccc(OC)c2c1CN(C1=NS(=O)(=O)c3ccccc31)C[C@H]2O 22421339 UEERVOALUNSXDR-CYBMUJFWSA-N 374.418 1.702 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)nc1 22531307 GGZGXANKHILVGV-AWEZNQCLSA-N 365.842 1.597 0 40 FDAB Cc1c(C)n2c(SCC(=O)NCc3ccc(F)cc3)nnc2[nH]c1=O 4250475 JXFHUEOGEOYLQC-UHFFFAOYSA-N 361.402 1.582 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccco1 23041338 NYJTXZZTTBNMSZ-UHFFFAOYSA-N 350.396 1.231 0 40 FDAB CN1CCN(C(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)CC1 8091748 GEBQLXQBFZGJPD-UHFFFAOYSA-N 356.378 1.690 0 40 FDAB O=C(c1ccc2ccccc2n1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24497638 RHLFQTXMJGJJNX-HNNXBMFYSA-N 359.451 1.180 0 40 FDAB CC(=O)N1CCc2nc3sc(C(N)=O)c(N)c3c(C(F)(F)F)c2C1 1430014 OPGQEQCLWNVEAL-UHFFFAOYSA-N 358.345 1.901 0 40 FDAB COC(=O)CNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 12516626 FCKQPNPQCASHAO-UHFFFAOYSA-N 363.439 1.909 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc3cn[nH]c3c2)cc1 25791072 MEGYFTMHOREOMX-UHFFFAOYSA-N 373.390 1.762 0 40 FDAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)cc2N1 26112569 WXKXIRMBKVXXID-CYBMUJFWSA-N 360.391 1.820 0 40 FDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NCCC(=O)Nc1ccccn1 57170815 GQVSIYBRTZNWHF-UHFFFAOYSA-N 362.336 1.235 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCCC3)c2)CC1 57272199 GTNWVRYXXOEUST-UHFFFAOYSA-N 351.472 1.751 0 40 FDAB CCCCN(C)C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507293 DVXGJNQBOIDLLR-UHFFFAOYSA-N 354.414 1.893 0 40 FDAB COCCOc1ccc(CNC(=N)NCCc2ccc(OC)cc2)cn1 58308561 DFCPHYSAWFAACP-UHFFFAOYSA-N 358.442 1.972 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 58400528 KVUMQEXGGKJJJC-AWEZNQCLSA-N 361.442 1.564 0 40 FDAB CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 45165561 ILXQLUDMUYFOEQ-UHFFFAOYSA-N 351.428 1.308 0 40 FDAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)[C@@]1(CO)C=C[C@H]2O1 104572289 ZHPPUSPCAJHRPV-BLTAXRJOSA-N 350.168 1.254 0 40 FDAB CCOC(=O)[C@@H](C)On1c(-n2nc(C)cc2C)nc2ccccc2c1=O 2423292 CORLURGZSGZLTN-CYBMUJFWSA-N 356.382 1.579 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)N2CCCN(C(C)=O)CC2)cc1OC 12793837 SPWAJRFONIXKRR-AWEZNQCLSA-N 363.458 1.263 0 40 FDAB Cn1c(=O)n(C[C@@H](O)c2ccccc2)c(=O)c2ccc(C(F)(F)F)nc21 28920693 FMORBNNJGIAYHG-GFCCVEGCSA-N 365.311 1.848 0 40 FDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1 29769067 KPGLYJMKJQVQRV-OAHLLOKOSA-N 357.801 1.687 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)cc1OC 26850753 RKZXPUYSNIKLCD-CYBMUJFWSA-N 351.428 1.793 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccc(Br)cc12 12943039 URHAYOOACGBXBK-VIFPVBQESA-N 357.229 1.847 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCC(C)CC1 13071353 QHPXNAPSXWFGEV-UHFFFAOYSA-N 369.487 1.616 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13060810 GBLIGUQUUBDGAI-OKILXGFUSA-N 369.487 1.293 0 40 FDAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccccc1 6385719 AHTYRFBBISNDKJ-CYBMUJFWSA-N 365.389 1.714 0 40 FDAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CN(C)CC(=O)NC(C)C)C1=O 14189745 SLGMWJMRAPXOEL-IBGZPJMESA-N 360.458 1.566 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)Cn1nc2n(c1=O)CCCCC2 14138157 WXKFWBPLVMVTJN-UHFFFAOYSA-N 363.849 1.953 0 40 FDAB COc1ccc(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 14199873 KTXIHWWXIWIZBO-STQMWFEESA-N 358.460 1.190 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccoc1 14136994 OSFNZMGXYQFTHC-UHFFFAOYSA-N 350.396 1.231 0 40 FDAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1 14189593 DIXHFJZJGHUZNS-UHFFFAOYSA-N 354.453 1.807 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccco3)C2=O)cc1 96221477 WNRYRDQGNXPYID-INIZCTEOSA-N 371.393 1.458 0 40 FDAB biogenic C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)cc2)C1=O 15842718 JAISRTUCJOVTFL-GFCCVEGCSA-N 359.407 1.324 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 8279648 IFEIUHBYFUJYCN-YJYMSZOUSA-N 373.409 1.005 0 40 FDAB C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1cccs1 8328968 XVGXJBNKQZULKP-ZETCQYMHSA-N 358.217 1.238 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 8423923 CLZPFTOHYWXNLT-HXPMCKFVSA-N 372.425 1.485 0 40 FDAB Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 17480805 DVJQMIPKIRHONW-UHFFFAOYSA-N 351.428 1.537 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(N2CCOCC2)n1 67219812 MJELNSZORFHNHB-UHFFFAOYSA-N 372.425 1.173 0 40 FDAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOC[C@@H]1C1CC1 89975531 YNHBSNZBRHVCEQ-MRXNPFEDSA-N 350.440 1.378 0 40 FDAB Cc1nc2c(s1)CN(C(=O)N(C)C)CC21CCN(C(=O)N(C)C)CC1 306136349 PQRVNWJAKVLYKA-UHFFFAOYSA-N 365.503 1.964 0 40 FDAB Cc1cc(N2Cc3ccnn3C[C@@H](Oc3ccccn3)C2)n2ncnc2n1 306142544 XCNUMGIEZIVQLW-HNNXBMFYSA-N 362.397 1.492 0 40 FDAB CN(C)CCNC(=O)c1nc([C@@H]2CCCN2C(=O)N(C)C)n2ccccc12 306144338 ZCVURYYCRQKYEO-HNNXBMFYSA-N 372.473 1.444 0 40 FDAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 409103723 BMSGOPGQXDXYLU-SZUMLMDFSA-N 364.379 1.149 0 40 FDAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@H](C)N(C2CCC2)CC3)cn1 306140020 UHLCZCWEQITVRH-AWEZNQCLSA-N 354.458 1.770 0 40 FDAB Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ncc3c(F)cccn23)cn1 529137725 ARNNRGWSAWCREJ-SXBQZSJRSA-N 361.402 1.153 0 40 FDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC(=O)N2CCCCC2)c1 32444813 DPQAGUKNIOUGPU-UHFFFAOYSA-N 374.846 1.417 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1nc2c(cc1=O)CCCCC2 72402230 FCPOWAMERFQVQM-UHFFFAOYSA-N 371.437 1.716 0 40 FDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)s1 96209478 FGDDVMMLRCTMBY-CJNGLKHVSA-N 356.513 1.587 0 40 FDAB Cc1cn2nc(C(=O)Nc3ccn(CCc4ccncc4)n3)cc2c(=O)[nH]1 1598251833 VNWQUMIAIWZKFZ-UHFFFAOYSA-N 363.381 1.418 0 40 FDAB CC(C)CCN1[C@@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143259 XDCSAUOFPFPSPA-MRXNPFEDSA-N 372.512 1.598 0 40 FDAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(C(=O)N1CCOCC1)CC2 96254199 AZSLIIVFXIQCMO-UHFFFAOYSA-N 360.462 1.682 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1ccc2c(n1)CCC2=O 582095525 VPGXNWSAYOBZCW-GJZGRUSLSA-N 357.433 1.993 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)O1 96057558 XOCNUZUSIDTNBY-BRWVUGGUSA-N 355.394 1.753 0 40 FDAB CCN1C[C@@H]2[C@H](C1)c1nc(NCc3cccnc3)ncc1CS2(=O)=O 96252087 CGYLMDNVCNZCHQ-LSDHHAIUSA-N 359.455 1.200 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)COc1ccc(C)cc1)C2 248014544 KMNRIZAWDFJVAG-AWEZNQCLSA-N 353.440 1.036 0 40 FDAB COc1ccc(S(=O)(=O)N2CC3(CC[C@@H](CN(C)C)CO3)C2)cc1F 248138374 SLNBILDECOPKJC-ZDUSSCGKSA-N 372.462 1.566 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccncc1)CC2 247826145 FVVPLBHRRGLDII-INIZCTEOSA-N 353.488 1.202 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 247920881 CHDMNPVGYSIZEJ-QGZVFWFLSA-N 371.503 1.485 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CC[C@H](Oc2cnccn2)CC1 252536951 JWQWQJNAPSHDEF-HDJSIYSDSA-N 368.393 1.891 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)[nH]1 257207349 BHIKNUVVCONRGN-LBPRGKRZSA-N 356.430 1.277 0 40 FDAB CC(C)c1ccc(O)c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 257278419 OCEQHTBEQHCQFS-ZHALLVOQSA-N 362.470 1.812 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cnn3cccnc23)n1 257262450 LLKWABBTMYZOPG-CYBMUJFWSA-N 353.386 1.083 0 40 FDAB CNc1cccc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257295899 RAIOBXPJDHQVRX-KRWDZBQOSA-N 355.442 1.550 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2cn(C)nc2C)C[C@H]1c1ccccc1 257318975 VQDVQANYOALJOB-SFHVURJKSA-N 355.442 1.572 0 40 FDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257316503 VFWZSCRQCVXRID-CQSZACIVSA-N 357.366 1.476 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 252494485 NXCLQFNCGSCZPX-ZDUSSCGKSA-N 363.395 1.149 0 40 FDAB Cc1cc(C(=O)NCc2cc3c(nc2O)CCC3)ccc1S(N)(=O)=O 603553934 BVAJHGCGXOTQPC-UHFFFAOYSA-N 361.423 1.162 0 40 FDAB Cn1cc(CCC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)nn1 613323002 SPYRDMNSBLUOJG-UHFFFAOYSA-N 356.352 1.827 0 40 FDAB CO[C@H](CS(=O)(=O)N1CCO[C@@H]2CCOC[C@@H]21)c1ccc(F)cc1 625227443 OGULBMNZDSVFNN-ARFHVFGLSA-N 359.419 1.333 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(CN2CCCC[C@@H](O)C2=O)n1 643834898 BUPAVXYRICGZCE-CYBMUJFWSA-N 374.397 1.133 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@H]1C(=O)NCC(N)=O 1616032306 SWMOBBBYJUMHJZ-ZBFHGGJFSA-N 361.442 1.771 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)C1CC(F)C1 585096449 OCNZZPLDKMNGCK-IYXRBSQSSA-N 371.416 1.859 0 40 FDAB O=C(CCc1cccnc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585275982 CGMFXLKIPWLNCH-HXUWFJFHSA-N 358.413 1.986 0 40 FDAB CCCS(=O)(=O)NC1CCN(Cn2c(=O)oc3ccccc32)CC1 47272305 VDNGTIRCBGAOHR-UHFFFAOYSA-N 353.444 1.346 0 40 FDAB CCS(=O)(=O)N(CC(=O)N1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 13613161 KPWGOSNUZDLRTQ-CYBMUJFWSA-N 368.455 1.830 0 40 FDAB CCn1cc(CN2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)c(C)n1 19524571 YHRPAUIYMCSBHA-UHFFFAOYSA-N 371.485 1.485 0 40 FDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)CC2 19706510 ZCWDSKTUODMKSO-INIZCTEOSA-N 373.432 1.648 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4nc(O)cc(C(F)F)n4)CC3)c21 1888890718 NWOFDOCSCVHGQB-UHFFFAOYSA-N 362.344 1.123 0 40 FDAB Cc1cn2nc(OCC3CCN(c4ncnc5n[nH]cc45)CC3)ccc2n1 1888906710 WIVZPQXTICFLEQ-UHFFFAOYSA-N 364.413 1.999 0 40 FDAB Cc1sc2ncnc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)c2c1C 1889122714 LAIFRDUWTAEEIU-CYBMUJFWSA-N 362.455 1.372 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(CCCN(Cc4ccnn4C)C3)C2)n(C)n1 2056224792 WBFUNXQFSIILMV-FQEVSTJZSA-N 370.501 1.980 0 40 FDAB Cn1nccc1N1CCC2(CCN(C(=O)Cc3ccccn3)CC2)C1=O 1565542309 PQARKSDZVOXUCL-UHFFFAOYSA-N 353.426 1.403 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2S(C)(=O)=O)CC1 1565542352 QTJLMRGMSGSEJL-HNNXBMFYSA-N 369.487 1.958 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)NCc3ccccn3)CC2=O)cc1OC 4272708 DEUTVFFNUNSHLK-CQSZACIVSA-N 370.409 1.704 0 40 FDAB Cc1ccc(-c2nc(SCC(=O)O)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 4341333 JYWHEOVNVUGURJ-UHFFFAOYSA-N 372.406 1.179 0 40 FDAB CCOc1ccc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)cn2)cc1 13809090 NZNVDYMFEIYBKG-INIZCTEOSA-N 357.410 1.604 0 40 FDAB COCCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055732415 IVNYZASYTGPHDX-UHFFFAOYSA-N 351.422 1.724 0 40 FDAB O=C(Cc1ccccc1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734712 NMQCHJCLHZVOIS-MRXNPFEDSA-N 355.438 1.723 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1 2055812560 YYGDSXIRIXZVMA-HXUWFJFHSA-N 365.437 1.348 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnsn2)CC1 585148897 LHDZHXBAIORFTG-LLVKDONJSA-N 362.411 1.383 0 40 FDAB O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccco1 6345181 ANWHJSFASNLVCU-CYBMUJFWSA-N 354.391 1.654 0 40 FDAB O=C([C@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1)N1CCOCC1 104944937 AHRQIDHBEHIZCV-HNNXBMFYSA-N 364.446 1.034 0 40 FDAB Cn1ncc2c(N3CCN(Cc4noc(C(C)(C)C)n4)CC3)ncnc21 40105329 WQXMBERQDXKGHE-UHFFFAOYSA-N 356.434 1.366 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c(O)c([C@@H]2NCCc3ccccc32)c1=O 20410569 AVNAWCYTAVVXTB-QGZVFWFLSA-N 365.389 1.475 0 40 FDAB biogenic Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 31873827 NQHRBJCAEHAZGE-UHFFFAOYSA-N 357.413 1.318 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(N)=O)c(=O)oc2c1C 32123879 IYBYZALOBVAKED-OAHLLOKOSA-N 372.421 1.827 0 40 FDAB biogenic COc1ccc(CNc2c(NCc3ccccn3)c(=O)c2=O)cc1OC 101691248 SZEDKUWRXGZHCY-UHFFFAOYSA-N 353.378 1.919 0 40 FDAB O=C(NCCC(=O)N1CCc2sccc2C1)c1ccc2[nH]nnc2c1 52081260 HKZOBOXPYDHVHZ-UHFFFAOYSA-N 355.423 1.724 0 40 FDAB C[C@H](OC(=O)c1cnn(C)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32777219 NYOLFFLVQMCMOO-JTQLQIEISA-N 351.384 1.220 0 40 FDAB COc1ccc(CN(C)C(=O)c2cnc3ccccn3c2=O)c(OC)c1 32894843 NQAGPFRZFDHCIN-UHFFFAOYSA-N 353.378 1.984 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc2c(c1)OCCO2 102843396 JDVUINGUURPLQU-OKILXGFUSA-N 358.394 1.249 0 40 FDAB CN1CCN(C(=O)CCNC(=O)C(C)(C)C)c2nc3ccccc3nc21 22523775 RTTUQRIYVANGAO-UHFFFAOYSA-N 355.442 1.965 0 40 FDAB O=C(c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCCC1 3911173 AOCKBYFLTPKJCU-UONOGXRCSA-N 365.480 1.603 0 40 FDAB CN(Cc1ccco1)C(=O)COC(=O)c1ccccc1S(C)(=O)=O 22720514 JNZNWSXCNBXZGA-UHFFFAOYSA-N 351.380 1.499 0 40 FDAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1 7805137 CPOCOPPVCVOECU-UHFFFAOYSA-N 356.494 1.885 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7982782 QPTQYXRAICUDJB-NSHDSACASA-N 367.361 1.401 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100394241 LHGJBCACLIKDFZ-QMWCDGKBSA-N 365.385 1.848 0 40 FDAB Cc1cnc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cn1 23946811 ZRNBYQQDJOOZPZ-SFHVURJKSA-N 353.382 1.373 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(F)cc1F 42885301 YAZWQJZTOUZAPT-HNNXBMFYSA-N 367.396 1.554 0 40 FDAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c1 58046852 WFEAYIQQKWPDTC-CQSZACIVSA-N 368.455 1.864 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 8380017 ZECBONHSVAUYCQ-UHFFFAOYSA-N 359.451 1.845 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@H](C)OC[C@H]1C 106152392 VHRAMUXCTKNKFE-KGLIPLIRSA-N 352.456 1.920 0 40 FDAB CN1CCc2nc(NC(=O)CCN3C(=O)COc4ccccc43)sc2C1 24152585 VLWSODNVGVLXSG-UHFFFAOYSA-N 372.450 1.885 0 40 FDAB CCCN1C(C(=O)N2CCOCC2)=C(O)c2ccccc2S1(=O)=O 20547568 JEGDVAAKFWBLRU-UHFFFAOYSA-N 352.412 1.186 0 40 FDAB CCN1CCN([C@@H]2CCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)CC1 106807220 XICAXERECZDFEL-OAHLLOKOSA-N 374.514 1.396 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)NC[C@@H]1CCCO1 9741338 LLNRHMVELMZDEB-MGPUTAFESA-N 371.437 1.455 0 40 FDAB CNC(=O)CN1CCC(NC(=O)Cc2nc(-c3ccccc3)oc2C)CC1 25233946 NPEYSYRXWTVRGR-UHFFFAOYSA-N 370.453 1.519 0 40 FDAB COc1ccc(/C=C/C(=O)N(CCS(C)(=O)=O)C(C)C)cc1OC 84597267 XORMSPIVWWCSMD-VQHVLOKHSA-N 355.456 1.999 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N[C@@H]1c2ccccc2C[C@@H]1O 57003817 CKPJJXWNICSEBJ-SOLBZPMBSA-N 372.446 1.863 0 40 FDAB O=C1CN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCN1 57383210 PBYDRAJSGNTMDW-UHFFFAOYSA-N 364.858 1.758 0 40 FDAB O=C1NC2(CCN(Cc3ccccc3)CC2)c2nnnn2-c2ccsc21 35615799 WQYNRRNVHLHEAJ-UHFFFAOYSA-N 366.450 1.959 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2cc(Cl)cn2)cc1 27969502 UNKNNQFLTPGHSA-AWEZNQCLSA-N 353.831 1.502 0 40 FDAB Cc1ccccc1OCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58201962 OYRQEKURIHBSCF-UHFFFAOYSA-N 367.405 1.584 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(C)cc1 58227533 YZRWEFWLUCBOPW-UHFFFAOYSA-N 360.435 1.871 0 40 FDAB CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 58210815 AQESWRPMAMQNKB-KGLIPLIRSA-N 373.544 1.748 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 58224595 NACVLEQSBLBWRR-SFHVURJKSA-N 360.414 1.423 0 40 FDAB O=C(CNC(=O)NCc1cn2cc(Cl)ccc2n1)NCc1ccco1 48212902 KDEJWWAAWAKYNR-UHFFFAOYSA-N 361.789 1.696 0 40 FDAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc2n1 100137918 YAOSEVNRPXOGHN-KGLIPLIRSA-N 371.441 1.460 0 40 FDAB CCOC(=O)C1=NO[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100915322 BMGQDIIYCKQCAZ-GXSJLCMTSA-N 356.256 1.513 0 40 FDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCCC1 11904689 AWGJLAAKGBKABZ-UHFFFAOYSA-N 372.468 1.154 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(N2CCNC2=O)cc1 48341063 DLHRRASZMQYYHD-UHFFFAOYSA-N 365.455 1.902 0 40 FDAB CCCOc1ccccc1OC(=O)Cn1nnn(-c2cccs2)c1=O 25803586 GJXRBFKVQWCCMC-UHFFFAOYSA-N 360.395 1.885 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(N)s2)cc1 8539928 MGTKFNDIFWSOHD-UHFFFAOYSA-N 360.486 1.542 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12984316 VFNUAXKGWDJMMZ-OAHLLOKOSA-N 367.453 1.590 0 40 FDAB CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371775 HJUDYSWFTADQOB-UGFHNGPFSA-N 363.476 1.462 0 40 FDAB COc1cc(C(N)=O)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253199 OYDOISZDTLBEFF-UHFFFAOYSA-N 364.423 1.769 0 40 FDAB O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2 65067217 RZPACSBMYCRGEL-SECBINFHSA-N 368.480 1.502 0 40 FDAB COc1ccc(CCN2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 5390587 GGHWPYWDIVLJDC-FZMZJTMJSA-N 356.469 1.395 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCSc2ccccc21 14137233 YVQIFZJQSFXTNR-UHFFFAOYSA-N 355.467 1.738 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCO)cc1NC(=O)c1ccccc1 408555137 DTGHOCHICBKFKG-UHFFFAOYSA-N 364.423 1.608 0 40 FDAB CCc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 6589597 ZTAMOWDANLKOKV-UHFFFAOYSA-N 356.378 1.909 0 40 FDAB CN(C(=O)COC(=O)c1ccc2ncsc2c1)[C@@H]1CCS(=O)(=O)C1 5843255 YSXOCLDBQANTEU-LLVKDONJSA-N 368.436 1.099 0 40 FDAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCCCCC1 7172891 IYSREWYSXIRNQK-ZDUSSCGKSA-N 357.410 1.881 0 40 FDAB O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nc(-c2ccc(F)cc2)no1 19608223 DPBQORNSGBGHGF-SNVBAGLBSA-N 354.359 1.744 0 40 FDAB O=C(CN1CSCC1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8038095 OOWJVDBFNFZRGJ-UHFFFAOYSA-N 371.344 1.758 0 40 FDAB C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(N)=O 8156446 OXXCEZWIROTVSJ-SNVBAGLBSA-N 369.468 1.968 0 40 FDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1C 8270088 JTJFSJUEUPMYEJ-UHFFFAOYSA-N 373.434 1.920 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(OC)nc2)c1 8328937 KQJLXQRGWAIMNR-UHFFFAOYSA-N 358.350 1.981 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)O 8429586 TVHTZZKQVMNCSH-AWEZNQCLSA-N 354.428 1.310 0 40 FDAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CC3)cc1O2 9530731 IJQOFQLMGDXGED-UHFFFAOYSA-N 372.421 1.690 0 40 FDAB Cc1[nH]c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C 9531889 DTNWMPMAHKKXKY-ZDUSSCGKSA-N 366.414 1.601 0 40 FDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc([S@@](C)=O)cc1 89840234 WVKSVDZLBOVKJT-FATZIPQQSA-N 354.497 1.711 0 40 FDAB Cn1cc([C@]2(C)NC(=O)N(Cc3nc(Cc4ccccc4)no3)C2=O)cn1 89917129 ZEJJJSAMPKPCJG-SFHVURJKSA-N 366.381 1.361 0 40 FDAB COc1ccccc1-n1c(O)nc2nc(NC[C@@H]3CCCO3)ncc2c1=O 67263851 CIPZUFNYTUQNMN-NSHDSACASA-N 369.381 1.481 0 40 FDAB Cn1cc(-c2cc(C(F)(F)F)nc(NCCN3CCOCC3)n2)cn1 36618551 UCUSNNWKGIJBSR-UHFFFAOYSA-N 356.352 1.640 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 62001867 YSUUAOXSJOYRRK-STQMWFEESA-N 351.355 1.786 0 40 FDAB biogenic CN1CCN(c2ncc3c(n2)CC[C@H](NC(=O)Cc2ccccc2)C3)CC1 306140530 UWIXVCPOGODNHR-SFHVURJKSA-N 365.481 1.445 0 40 FDAB Cc1ccnc(Nc2cccc(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)n1 528532798 BUBHNYMKNBUFAT-CQSZACIVSA-N 361.427 1.032 0 40 FDAB Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(C(=O)CN(C)C)C2)n1 72360075 ITNQQONXOCVKBC-GFCCVEGCSA-N 361.475 1.648 0 40 FDAB Cc1ccc(-n2nnc(C(=O)N3CCc4nn(C)c(=O)cc4C3)c2C)cc1 73142851 YRQIVTIJPNKECA-UHFFFAOYSA-N 364.409 1.176 0 40 FDAB CO[C@H](C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1 329962137 RZNHDDDRGHHFPN-INIZCTEOSA-N 373.519 1.065 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)CO[C@@H](COc2cccnc2)C3)n1 96208970 ABFCNYLGOCHVIZ-MRXNPFEDSA-N 356.426 1.905 0 40 FDAB COc1ccccc1CN1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1 96107881 SPTOOCTWBTUNQB-DOTOQJQBSA-N 354.472 1.368 0 40 FDAB COc1ccc(-c2nn(CC(=O)NC[C@H]3CCCO3)c(=O)cc2OC)cc1 96183141 FNRKQNABQUCCQO-OAHLLOKOSA-N 373.409 1.223 0 40 FDAB COCCn1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(=O)cc1C 583891206 WDYJDJXIZQHEJX-ZDUSSCGKSA-N 360.414 1.673 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](C(=O)NCC3CCOCC3)C2)no1 247943872 VTIBOQPKZWLAHB-KRWDZBQOSA-N 359.430 1.279 0 40 FDAB O=C(c1ccncc1)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 247875404 SXWYCSYHUXTJPK-OAHLLOKOSA-N 350.440 1.138 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CN(Cc4ccccc4)CCO3)nc2n(C)c1=O 257218004 DBMIZBAZEWTZPH-QGZVFWFLSA-N 366.421 1.206 0 40 FDAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cccnc3)C2)cc(C(=O)N(C)C)n1 257263361 LPMZKMNOPBQJCK-HNNXBMFYSA-N 367.453 1.977 0 40 FDAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCCC(C)C)n1 604382216 LBOYSTBIUMEIQS-BRSBDYLESA-N 351.491 1.202 0 40 FDAB biogenic,in-vitro CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)ccn1 257279498 OGXUXNWHLRGAMC-AWEZNQCLSA-N 357.370 1.058 0 40 FDAB COC(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)n1 1207319331 CXBCTYJGRREJHP-CQSZACIVSA-N 352.354 1.897 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)CCNC2=O 1260649629 GCUHGGUULHEPQM-UHFFFAOYSA-N 350.371 1.921 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)C1CCC1 585096165 AIBRXNVTOHKTOM-CYBMUJFWSA-N 353.426 1.911 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2ccccn2)cn1 585094705 IQPHDJBSQQFNHZ-KRWDZBQOSA-N 352.442 1.692 0 40 FDAB CC(C)NC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775963749 BHSVRAQKQFAHPF-ZDUSSCGKSA-N 358.402 1.536 0 40 FDAB biogenic,in-vitro O=C(c1ccc2c(c1)OCCO2)N1CCc2nnc([C@@H]3CCCN3)n2CC1 19706514 JJHDZAQVNGHRTB-AWEZNQCLSA-N 369.425 1.172 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165696669 HVINPIUXVIDTIO-HVCLXXKLSA-N 370.405 1.588 0 40 FDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2cc3n(n2)CCCO3)C1 225506798 ZQVCNFUKAGEIOX-CYBMUJFWSA-N 372.429 1.205 0 40 FDAB O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)NCc1cccs1 575621067 UZOJWYSRJSVAQO-UHFFFAOYSA-N 357.483 1.465 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2cc(Cl)cc3c2OCOC3)n(C)c1=O 5113435 KVOAIISCDURNQW-UHFFFAOYSA-N 362.773 1.002 0 40 FDAB O=C1[C@@H]2CN(c3ncnc4cnccc34)C[C@@H]2C(=O)N1Cc1ccccc1 1888890861 KMDMUHSSTABYIM-IYBDPMFKSA-N 359.389 1.646 0 40 FDAB COc1ccc(C(=O)NCC2(OC)CCN(S(C)(=O)=O)CC2)cc1F 1889201445 ZOBRBIOXWAJJKU-UHFFFAOYSA-N 374.434 1.005 0 40 FDAB COCCC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838311 CMDWQFNAVPVBPV-UHFFFAOYSA-N 350.390 1.587 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)N=c3[nH]onc3C)C2)cc1C 2037916068 LVCJFYCPFSTPKE-IBGZPJMESA-N 374.441 1.261 0 40 FDAB COC[C@@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(OC)cn1)C2 1615102666 XQEWYOCEZMKFMV-GFCCVEGCSA-N 360.414 1.401 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cnn4ccccc34)CC[C@@H]21 1565543987 VFFDHBNERDBSPQ-RBUKOAKNSA-N 371.485 1.201 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(Cc1ccncc1)CC2 1565541765 VARMJEBOLNPLMN-GOSISDBHSA-N 365.499 1.473 0 40 FDAB Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n(N)c1=O 5994680 JUTSKOABXAKZAE-UHFFFAOYSA-N 360.226 1.698 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]2C1 2055729708 AQYZOLHPRXXIDA-HEHGZKQESA-N 374.466 1.655 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ocnc2C)CC1 2055734520 GGKMHSQGYOTUGW-UHFFFAOYSA-N 360.389 1.955 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCc2ccccc2)C1 2055771735 SWRQFIDWAHYPRC-HXUWFJFHSA-N 354.454 1.922 0 40 FDAB Cc1nc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)cs1 2055747194 PCVAUPPKRMQOKF-UHFFFAOYSA-N 362.503 1.720 0 40 FDAB Cc1nnc2ccc(N3CCCN(C(=O)c4cc(C5CC5)[nH]n4)CC3)nn12 1775967410 QMRIECONHAQSTO-UHFFFAOYSA-N 366.429 1.386 0 40 FDAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 13542710 JYGXADMDTFJGBT-GYKIMFSQSA-N 362.466 1.782 0 40 FDAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 40013235 YMOJXPMQFUPLLG-TZMCWYRMSA-N 351.403 1.200 0 40 FDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1 40142529 QLPYVMHOJYQITO-PBHICJAKSA-N 356.474 1.959 0 40 FDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]cnc23)CC1 30819307 XDMFPNXJIAAPIN-UHFFFAOYSA-N 372.816 1.734 0 40 FDAB COc1ccc(-c2c3c(=O)n(CCCO)ccc3nc3ncnn23)cc1 32073242 RVMOARFLWCZROI-UHFFFAOYSA-N 351.366 1.497 0 40 FDAB C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)c1ccc(F)cc1 101686662 SWYBJHREQMGXTH-KMNSEVKQSA-N 371.364 1.747 0 40 FDAB CS(=O)(=O)c1ccc(NN/C=C2/C(=O)NC(=O)c3ccccc32)cc1 102172450 QVMATECJMPURQN-XNTDXEJSSA-N 357.391 1.318 0 40 FDAB COc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)cc(OC)c1 32754891 PCCUGSJNYCDOLB-YYIZJUOFSA-N 371.414 1.549 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 627081 HCPYJOSAKZGIPL-NSHDSACASA-N 371.187 1.964 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3cccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4393268 RLNWDZPIVGNOKU-OKWIKPQFSA-N 369.439 1.761 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NCc1ccccc1 7250276 RVIXQIKVENWOEN-CYBMUJFWSA-N 351.366 1.524 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(F)c2)s1 61717850 OPWGIQKSDXXJJT-RISCZKNCSA-N 364.402 1.982 0 40 FDAB Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)n1 8942617 IMTWDIXGGNMJGM-UHFFFAOYSA-N 354.457 1.827 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)no1 24212006 BMCVJEDSKJPZCA-GFCCVEGCSA-N 371.349 1.970 0 40 FDAB Cn1c(=O)n(CCC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc21 43282441 NMLDJVCHWUBDBV-OAHLLOKOSA-N 369.425 1.744 0 40 FDAB C[C@@H](C(=O)Nc1ccc2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 107355150 DEYLZSSVDTVPFE-VIZYAEIXSA-N 365.389 1.724 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420253 ADFSMYPLWQQDJX-YGTYGHESSA-N 362.401 1.803 0 40 FDAB O=c1c(Cl)coc2c3c(ccc12)OCN(CCN1CCOCC1)C3 57312283 IUBKQNBEXCNVPI-UHFFFAOYSA-N 350.802 1.931 0 40 FDAB Cc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)N1CCOCC1 12679526 DTZQPWOLDSTWIA-UHFFFAOYSA-N 350.396 1.861 0 40 FDAB CCN1CCC[C@H]1CN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 57531453 IXBCUALKWVVOPR-YJBOKZPZSA-N 354.454 1.930 0 40 FDAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 57688592 IFJPKQARARZRGJ-AWEZNQCLSA-N 359.861 1.957 0 40 FDAB O=C(NCCn1ccnc1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48141950 CUOMDGSIOBXOOQ-MRXNPFEDSA-N 358.417 1.620 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 26958779 CFNVDHLHKICADS-OAHLLOKOSA-N 370.471 1.108 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)O[C@H](C(N)=O)c1ccccc1 10137625 NPXQNZIIONWDJK-KRWDZBQOSA-N 356.378 1.585 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCCN(C(C)C)C3)ccc2c1=O 58179959 XQSJFNUBEZUBTD-AWEZNQCLSA-N 372.469 1.560 0 40 FDAB CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 58316012 CSPUQXPBMAIXGP-NSHDSACASA-N 373.862 1.909 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nnc([C@@H]2CCCO2)s1 36357624 XDJMJNPAGGQACX-NSHDSACASA-N 358.383 1.133 0 40 FDAB C[C@@]1(c2cccnc2)NC(=O)N(C[C@H]2CN(c3ccccc3)C(=O)O2)C1=O 97148263 VKTUWFZVUZWPSC-BEFAXECRSA-N 366.377 1.874 0 40 FDAB C[C@H]1c2cc(F)ccc2O[C@@]1(O)C(=O)N1CCN(C(=O)c2ccco2)CC1 12978106 ORFARLUUBHTQTN-HXPMCKFVSA-N 374.368 1.588 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccn3)CC2)cc1 9119103 OHPPIOCUWHSCGS-UHFFFAOYSA-N 374.466 1.580 0 40 FDAB C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCC1 6001927 HPGBJTDEOGWGTK-GFCCVEGCSA-N 372.418 1.000 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1 5878873 CXFXQVFQKOUJHC-UHFFFAOYSA-N 365.459 1.789 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1 68525418 KTGLYYOZLRTUTA-UONOGXRCSA-N 356.426 1.915 0 40 FDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(-n2cnnn2)c1 7986129 CKECOTGNCRXCBN-GFCCVEGCSA-N 367.365 1.855 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1C(=O)COc2ccccc21 17855275 QCMXOAYXWZRNHX-UHFFFAOYSA-N 367.405 1.784 0 40 FDAB CC(C)(C)OC(=O)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 95456542 RSHDICADAPJTET-MGPQQGTHSA-N 363.410 1.380 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 89486624 CWJSVYDLYVHLNL-CABCVRRESA-N 371.890 1.847 0 40 FDAB O=C(COc1cccc(C(F)(F)F)c1)N1C[C@H](O)[C@H](N2CCCC2)C1 89780690 QQTFNKWFKILMST-CABCVRRESA-N 358.360 1.752 0 40 FDAB O=c1c(=O)n2c(nn1Cc1ccccc1)[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306142515 XBLFZAMVHLIBHR-NVXWUHKLSA-N 364.405 1.276 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3OC[C@H](CCOCc4cccnc4)[C@@H]3C2)cn1 306133422 MKSVKJNUFBZIJK-SZMVWBNQSA-N 356.426 1.509 0 40 FDAB O=C(N1CCCC1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306137289 QRWMXFLRJNBGNL-CQSZACIVSA-N 365.455 1.165 0 40 FDAB CN1C[C@@]2(CCN(Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O 306138830 SIPFUKSKBKMEHW-GOSISDBHSA-N 359.451 1.739 0 40 FDAB CC1(N2CCOCC2)CCC(NC(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 1551289681 TWWKYDXQGNPPFK-WUJZJPHMSA-N 361.490 1.600 0 40 FDAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCNCC1)C3 306140323 UPSZLFUQJZRZRA-UHFFFAOYSA-N 364.449 1.368 0 40 FDAB COCc1nc(-c2ccc(NC(=O)c3cc(=O)c(OC)c[nH]3)cc2)n[nH]1 524735672 QPVUXLRERYWWSQ-UHFFFAOYSA-N 355.354 1.567 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3ccn(C)n3)CC(=O)N1CC2 72342219 PKWNKJVSZJOHTB-HNNXBMFYSA-N 370.409 1.019 0 40 FDAB O=C(c1ccc(Br)o1)N1CCN(c2nccs2)C(=O)C1 1565522247 LRJZTCVEDYLFLB-UHFFFAOYSA-N 356.201 1.988 0 40 FDAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)COc2ccc(F)cc2)C1 72374029 NQNFHXSIENCBQE-MRXNPFEDSA-N 373.432 1.995 0 40 FDAB CCN(CC)C(=O)CN1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 72390898 ASRWRCQYJAOYMF-MRXNPFEDSA-N 373.501 1.429 0 40 FDAB CCN(C(=O)Cn1cnc2c1C[C@H](C)[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 428188975 GIPGFXQSLKUPBV-HZSPNIEDSA-N 353.488 1.290 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2OC)s1 224130235 WCSGUWDMWURJSV-UHFFFAOYSA-N 356.429 1.374 0 40 FDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)COc3ccccc3)C1)COC2 96243996 IQGHEEFISRCXCI-HXUWFJFHSA-N 368.437 1.622 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3cccnc3)C2)CN1c1ccccn1 96051373 PGUIKHZHMSFQJZ-IBGZPJMESA-N 354.410 1.111 0 40 FDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(C(=O)NC1CCCC1)CC2 96086791 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1.558 0 40 FDAB CC(C)n1nccc1NC(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1 257229290 FXNBEXXYTYXJNH-IBGZPJMESA-N 370.457 1.317 0 40 FDAB Cc1nccn1-c1cccc(N2CCN(c3ccc4nncn4n3)CC2)n1 376526625 JBEDTUCCXDAHPR-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB O=S1(=O)C[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21 1663486201 ZBLWBRRXBWEQIC-SNVBAGLBSA-N 373.402 1.814 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(CNC3CCCCC3)nn2)CC1 641047312 KDHGBRGEIZSQEX-UHFFFAOYSA-N 362.522 1.689 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1Cc1nc2ccc(Cl)cc2n1C 643765413 SQJCVYKPFHYNMS-QGZVFWFLSA-N 350.850 1.954 0 40 FDAB CC(C)(C)c1cc(N2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)ncn1 1775961915 INFBMOWRCUVCFA-UHFFFAOYSA-N 370.457 1.639 0 40 FDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(C(=O)c1cc3ccccc3[nH]1)C2 575402875 DDSONRMDFGUYIX-HNNXBMFYSA-N 371.437 1.646 0 40 FDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585097218 GPBITJYNLLSKHD-CQSZACIVSA-N 355.442 1.696 0 40 FDAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)Cc1ccco1 585096898 FDHJXYPTUBBCAO-ZDUSSCGKSA-N 353.382 1.991 0 40 FDAB 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DKSOAYFCYKQHCY-IPJQOSJUSA-N 350.802 1.537 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)CCO1 257317638 VKOZGVQAIFHQFE-LJQANCHMSA-N 357.385 1.528 0 40 FDAB Cc1nn(C)c(C)c1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257344432 ZXENEURUTOQDOB-AWEZNQCLSA-N 363.487 1.708 0 40 FDAB CN(c1ccncn1)C1CC2(CCN(C(=O)CCN3CCOCC3)C2)C1 257216390 CUJRKJLRZFTYIT-UHFFFAOYSA-N 359.474 1.016 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)ccn1 257297821 RIXMQRTVZCLEHQ-INIZCTEOSA-N 355.398 1.539 0 40 FDAB O=C(NC[C@H]1CCCO1)c1cccc(CNc2ncnc3[nH]ccc23)c1 588896399 DJOPGYWUFXYQIN-OAHLLOKOSA-N 351.410 2.479 0 40 FDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H](CCC(=O)O)C1 629300148 CYVATPGXIVNNKK-SECBINFHSA-N 369.365 1.704 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC(=O)O)c2cccs2)C1 630100503 FHGVKWRZERUTFY-WDEREUQCSA-N 360.457 1.052 0 40 FDAB O=C(O)CN1CC[C@H](N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)C1=O 662203317 QGMMUMLDPKCUJK-HNNXBMFYSA-N 369.425 1.337 0 40 FDAB O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)c2occc2Br)N1 674362686 ZEZCMRHGUBZHFN-WPPNPWJKSA-N 356.176 1.150 0 40 FDAB Cc1cccc(CC(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)n1 585276161 DDQDODXFFNBPGZ-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB Cc1noc([C@H]2CN(C3CN(Cc4ccc5c(n4)CCC5)C3)CCO2)n1 685941211 VAJBNGUIYUOSIF-GOSISDBHSA-N 355.442 1.519 0 40 FDAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(C[C@H]4CCCO4)c3n2)c(=O)o1 1547211137 OTWCZABZKFSEOH-SNVBAGLBSA-N 371.349 1.310 0 40 FDAB biogenic O=C(/C=C/c1ccccc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3237377 ZVWVKLMDDOCNRU-CMDGGOBGSA-N 368.389 1.821 0 40 FDAB Cc1c(/C=C/C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cnn1C 1000012 FCZZARHBWXZVIS-VMPITWQZSA-N 354.410 1.853 0 40 FDAB COc1ccc(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 12906538 YFYBGITVQSLZCW-UHFFFAOYSA-N 362.451 1.641 0 40 FDAB CCOC(=O)CCc1c(C)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c1=O 17074077 YRJGQFZBEXOWQB-UHFFFAOYSA-N 359.357 1.950 0 40 FDAB CCn1nccc1C(=O)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19524167 SVUQNGDWCKANCM-CQSZACIVSA-N 356.430 1.165 0 40 FDAB CCn1cc(S(=O)(=O)N2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 19525020 SJHJODNZQQVADL-GOSISDBHSA-N 374.466 1.412 0 40 FDAB Cc1ncoc1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1 19559608 PXKIOOJQIZYDGX-UHFFFAOYSA-N 372.429 1.156 0 40 FDAB Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C 19562074 BQSBBATTZAFERR-UHFFFAOYSA-N 357.439 1.659 0 40 FDAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cnn2cccnc12 19657709 LOSXIKLHORYDBY-UHFFFAOYSA-N 351.366 1.454 0 40 FDAB COc1cccc2c1CC[C@H]2NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 156021303 PAJCGNQLELRGMM-MLGOLLRUSA-N 363.439 1.819 0 40 FDAB CCOC(=O)Cc1cc(NC(C)=O)c(CC(=O)OCC)cc1NC(C)=O 3845564 QQFGIWREDJNPAM-UHFFFAOYSA-N 364.398 1.815 0 40 FDAB biogenic Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)n1 390829259 XVWORMBYDQRJLE-NSHDSACASA-N 353.366 1.829 0 40 FDAB COc1ccnc(N2CCN(c3nc(SC)nc4c3CCC4)CC2)n1 1888866801 SOZYRCCTFCOQGL-UHFFFAOYSA-N 358.471 1.812 0 40 FDAB COCCn1cnc2c(N3CCN(c4nc(C)cc(C)n4)CC3)ncnc21 1888897443 HVDRIZUONZMPJY-UHFFFAOYSA-N 368.445 1.206 0 40 FDAB Cc1csc2c(N3CCO[C@H](C(=O)N4CCSCC4)C3)ncnc12 1889122772 OWPSGXFAZIOQRC-LBPRGKRZSA-N 364.496 1.780 0 40 FDAB CCCc1n[nH]c(SCC(=O)N([C@H]2CCS(=O)(=O)C2)[C@H](C)CC)n1 14083223 NLTLUIWVZCXWOB-NEPJUHHUSA-N 374.532 1.664 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2ncnn2C)CC1 1848746866 VBWHFHXEECJZFT-UHFFFAOYSA-N 352.442 1.746 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](n2nccn2)C1 238960002 YIWUDSNRWOSEJL-OAHLLOKOSA-N 365.393 1.525 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)n1 1565552465 VLSXVDSQDRYTAV-UHFFFAOYSA-N 371.416 1.609 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(C(=O)[C@H]4CCOC4)C3)ccnc12 1565555913 JGFYOFUOLNKCRP-KGLIPLIRSA-N 371.441 1.174 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249802 QSMDPWWYZJCFKO-UHFFFAOYSA-N 373.394 1.325 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CCc1ccc[nH]1)OC2 2055759241 BHFKXKSBEDETBS-ZDUSSCGKSA-N 359.430 1.066 0 40 FDAB Cc1nc(CN2CCN(C(=O)CCNC(=O)c3ccco3)CC2)cs1 31258661 DAQATVCGWOYJFH-UHFFFAOYSA-N 362.455 1.509 0 40 FDAB CCCn1cc(CNC(=O)C(=O)N[C@@H]2C(=O)N(C)c3ccccc32)c(C)n1 101687032 XWVQUPZBWPJKBX-INIZCTEOSA-N 369.425 1.052 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NCC(F)(F)F)cc1 52714558 PZZKZXYCDGRUGX-ZDUSSCGKSA-N 359.348 1.777 0 40 FDAB COc1cc(C(=O)N[C@@H]2COc3ccccc3C2)ccc1OCC(N)=O 53044404 ZJFBODAEUORGCR-AWEZNQCLSA-N 356.378 1.293 0 40 FDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1 53175697 CMAYJVDOMFBMFK-UHFFFAOYSA-N 366.443 1.262 0 40 FDAB CCc1nc(NC(=O)[C@H]2CSC(C)(C)N2C=O)sc1C(=O)OC 937892 ROQBYCNDKGIBSY-SECBINFHSA-N 357.457 1.741 0 40 FDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccncc2)CC1 22227993 ZQMTZWGPABSAQJ-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB NS(=O)(=O)c1cccnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 78674495 GCUFEADZRXYATH-ZDUSSCGKSA-N 355.366 1.585 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)s1 79113800 JXEDGSMOZXQVDN-UHFFFAOYSA-N 360.844 1.945 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 22935116 PIMOQGSVGWTXSG-QGZVFWFLSA-N 358.486 1.562 0 40 FDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 805004 PCYFCEWRJFYHJK-UHFFFAOYSA-N 373.478 1.949 0 40 FDAB aggregator Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1cccnc1 6793065 SYKIAWQXEZEJNC-UHFFFAOYSA-N 350.425 1.246 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccnc1 6955868 KMEFKWDYJRZKLQ-NSHDSACASA-N 353.831 1.718 0 40 FDAB O=C1CCSc2ccc(C(=O)NCCc3nnc4n3CCC4)cc2N1 42502813 FHANUZIXVCISBN-UHFFFAOYSA-N 357.439 1.631 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1C 23641550 GNEWSPYSONMUCO-OAHLLOKOSA-N 363.458 1.745 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCCC2)cc1 3264216 HLZHPMAUAOMWHL-UHFFFAOYSA-N 368.455 1.116 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)o1 58209079 VYYQYZDWRIKNSY-GOSISDBHSA-N 370.365 1.093 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NCc1nnc2n1CCCCC2 48279825 OAMMQYVISVUQKW-UHFFFAOYSA-N 352.398 1.031 0 40 FDAB COc1ccc(NC(=O)C[C@H](C(=O)O)N(CCO)Cc2ccccc2)cc1 10384117 KCRFQYYRZZHQSP-GOSISDBHSA-N 372.421 1.972 0 40 FDAB CS(=O)(=O)N1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 58425314 MDICOSFQHXPXBK-NSHDSACASA-N 368.427 1.519 0 40 FDAB O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 58305790 QOFHQSCKMXJLIV-UHFFFAOYSA-N 371.416 1.331 0 40 FDAB COCCCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2cccnc2N1 100208186 ZJKMGFUADCBVHZ-RVFRGNJDSA-N 372.469 1.912 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCc2sccc2C1 12783744 PKZFELZIFUNXGT-OAHLLOKOSA-N 369.446 1.796 0 40 FDAB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 3350600 GHTBUMSJZAEVCI-UHFFFAOYSA-N 367.789 1.461 0 40 FDAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccco2)n2nnnc2N1 10232082 BOAHGOTYRNWVSG-CQSZACIVSA-N 369.312 1.730 0 40 FDAB O=C(CNC(=O)c1ccc(Cn2cncn2)cc1)OCc1ccccc1 11605814 RQYBRYQHKHGFNU-UHFFFAOYSA-N 350.378 1.800 0 40 FDAB CCC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22519057 TVBMKPHZLVEOMC-CQSZACIVSA-N 354.472 1.767 0 40 FDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)Nc1ccccc1 67317282 INDWUJQJDFBHMP-UHFFFAOYSA-N 351.410 1.794 0 40 FDAB CS(=O)(=O)/N=C(\O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 48479043 WLRASYNNNMPMGP-UHFFFAOYSA-N 357.391 1.709 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H]2C[C@H](C)OC2=O)ccc1F 12904197 UVRZGFTXFUMIMD-GWCFXTLKSA-N 373.402 1.717 0 40 FDAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNCCCO)cc12 3655831 AOUVFGQHLZLPOP-CQSZACIVSA-N 364.442 1.375 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCN(C(=O)C2CC2)C1 48759729 RRYWGAQYIXGCMJ-KRWDZBQOSA-N 372.469 1.183 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 13433379 MTVCCWDDSSTJBP-CQSZACIVSA-N 361.375 1.583 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1 9114497 LGTDRCYLRUYABN-CYBMUJFWSA-N 357.863 1.359 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)OCc1cc(=O)n2ccccc2n1 64209721 MVCHIIUSRQRMDD-UHFFFAOYSA-N 367.361 1.664 0 40 FDAB CCOc1ccc(CO[C@H]2[C@@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]23)cc1 4176678 WHHIIMRGPWDFLO-NQNKBUKLSA-N 354.399 1.200 0 40 FDAB CN(C)CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 13629700 KTJGGSXWESGDSO-UHFFFAOYSA-N 372.469 1.174 0 40 FDAB O=C(OCc1cccc2ccccc12)C1=NC=CN2CCS(=O)(=O)N=C12 6084984 BPRZSYZIMJMTIY-UHFFFAOYSA-N 369.402 1.853 0 40 FDAB O=C(CCOc1cccc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 39998321 DTRALBYLLLIGSL-LLVKDONJSA-N 362.245 1.521 0 40 FDAB CS(=O)(=O)c1ccc(CN2C[C@H]3OC[C@@H](CN4CCCC4)[C@H]3C2)cc1 306136127 PKCGSJIKBKEXII-BHIYHBOVSA-N 364.511 1.633 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O 4477252 CLTCDRBDOOGFJB-GOSISDBHSA-N 360.414 1.326 0 40 FDAB CC(C)CCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6669612 SFLOTVDFMXSATB-UHFFFAOYSA-N 367.471 1.799 0 40 FDAB O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1=COCCO1 6719884 JFJSNGJOXNTQBH-UHFFFAOYSA-N 362.695 1.906 0 40 FDAB COCCCCNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 72301544 PEZRZRMVWYWQSZ-UHFFFAOYSA-N 373.475 1.425 0 40 FDAB CCn1ccc2ccc(NC(=O)NC[C@@](C)(O)CN3CCOCC3)cc21 72303936 RAPNTFFHKKFIDV-LJQANCHMSA-N 360.458 1.866 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N[C@H](C)c1ccc(F)cc1 96514064 CTYLKNBOKQHXTJ-FNQVVVRFSA-N 366.414 1.983 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@@H](C)c2nc(-c3cccnc3)no2)CC1 97127746 IUWNKJUJYZMMCU-KBPBESRZSA-N 370.457 1.477 0 40 FDAB C[C@H](Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N1CCOCC1 408591537 IQPPMXUSQOBHAA-ZDUSSCGKSA-N 370.471 1.390 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)Nc1cnn(CC(=O)NC3CCCC3)c1)CC2 95432738 VNILBIWDAUQMHM-CYBMUJFWSA-N 371.445 1.043 0 40 FDAB CS(=O)(=O)c1ccc(CCN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 95992580 WRKYOWNWBMYNDT-KRWDZBQOSA-N 372.446 1.796 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)cc1 409305760 OBCUXUCCZMJTDA-DRMAHVMPSA-N 357.362 1.461 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)N1CCN(S(=O)(=O)c2cccs2)CC1 36056101 CDEZZIARTPUVID-GFCCVEGCSA-N 359.517 1.358 0 40 FDAB CN1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)CC1 408557912 QOIHCDIWDLUOQX-UHFFFAOYSA-N 360.405 1.850 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccncc3)CCOCC2)o1 1547138563 NJARLACFPIJWIM-UHFFFAOYSA-N 372.421 1.846 0 40 FDAB biogenic COc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218072297 ZVTJNXILWRHLIV-KEYYUXOJSA-N 370.471 1.428 0 40 FDAB CCc1ncc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cn1 72395015 WASUGGGVDSDLQH-UZLBHIALSA-N 350.422 1.856 0 40 FDAB CSCC[C@H]1NC(=S)N(CCNC(=O)c2ccc(C)c(F)c2)C1=O 32778533 GPIRRZROKLNCEU-CYBMUJFWSA-N 369.487 1.702 0 40 FDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1 72354338 PIQIOEXHYGRNPM-CYBMUJFWSA-N 362.459 1.766 0 40 FDAB O=C(N[C@H]1COc2ccccc2C1)N[C@@H]1CCCN(c2ncccn2)C1 47094190 GAZOEHXXUZCWQN-HZPDHXFCSA-N 353.426 1.748 0 40 FDAB Cc1ccc(C)c(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c1 222660523 AXLRHIFIITWQHL-UHFFFAOYSA-N 357.410 1.827 0 40 FDAB CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109356 KBKADNFJVXEEFJ-PBHICJAKSA-N 352.456 1.272 0 40 FDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1nncs1 95482665 SUVNJNYRJAJAPB-CYBMUJFWSA-N 374.470 1.393 0 40 FDAB Cc1cccc(CN2CCO[C@H]3CN(c4ncccn4)CC[C@H]3C2=O)n1 96206848 QYFKKLJVXVYWSQ-SJORKVTESA-N 353.426 1.434 0 40 FDAB Cc1noc(C)c1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N1CCCC1 96057956 QRVLGGLGELETMY-YQVWRLOYSA-N 363.458 1.662 0 40 FDAB CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 585091963 VLLUHUKBODQFSY-CABCVRRESA-N 366.462 1.401 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@](C)(O5)[C@H]1O 253505458 WVIJKZGJRVKCQR-DTBOICQTSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro COc1cccc(Cc2cncc(C(=O)N3CCO[C@@](C)(C(N)=O)C3)c2)c1 257300577 RUVYZYITJOOEFV-HXUWFJFHSA-N 369.421 1.397 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cccnn1)CC[C@H]2O 257293241 QORROFAFPXAEIN-AITUJVMLSA-N 352.438 1.397 0 40 FDAB O=C(CCc1cccnc1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257235456 GXYJKXVCJJPMEC-LJQANCHMSA-N 358.417 1.696 0 40 FDAB C[C@H](NC(=O)[C@H](C)N1CCC[C@H](S(N)(=O)=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 374929380 LBJDACLGLFEPLR-QNILMXGZSA-N 357.520 1.069 0 40 FDAB Cc1nc[nH]c1CNC(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1C 1775958954 KANLFLTXWVXULC-GUYCJALGSA-N 356.430 1.128 0 40 FDAB Cc1cccc(N2CCN(CCC(=O)N3CCC(=O)NC[C@@H]3C)CC2)c1 95389197 RGOQTQQEEQNOAF-KRWDZBQOSA-N 358.486 1.244 0 40 FDAB NCCc1cnc2c(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)cnn2c1 1122004438 NGUCZAQLHWYJEL-MRXNPFEDSA-N 364.453 1.629 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(-c2cncnc2)cc1F 643939587 MZKUZOUITZFCFQ-GOSISDBHSA-N 358.373 1.389 0 40 FDAB O=C(O)c1ncsc1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 656179941 COAPDILYZFZKRA-NKWVEPMBSA-N 374.362 1.620 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)c(CC(=O)O)c1 663426417 LVVAOKLLQGFTGN-GFCCVEGCSA-N 363.382 1.892 0 40 FDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(C(=O)O)cs1 566358156 SEJJGOOYWBBLBR-SECBINFHSA-N 355.441 1.682 0 40 FDAB COc1ccccc1CC(=O)N1CCC(NC(=O)C2(C(=O)O)CCC2)CC1 567969292 VUVPRQAHTYRETA-UHFFFAOYSA-N 374.437 1.600 0 40 FDAB CC(C)C[C@@H](C(=O)O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 574815885 ASAYKDWBUWBVFE-INIZCTEOSA-N 354.472 1.633 0 40 FDAB CC(C)CCNC[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O 585284832 ILRUENYMUDKHQQ-AEFFLSMTSA-N 354.878 1.914 0 40 FDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cccc2c1OCCO2 585094780 MJTLCOTZYGFCNU-ZDUSSCGKSA-N 357.410 1.795 0 40 FDAB O=C(CO[C@@H]1CCOC2(C1)CN(C(=O)c1cccc(O)c1)C2)N1CCCC1 585093701 UCBDKAFNNFVXQJ-QGZVFWFLSA-N 374.437 1.405 0 40 FDAB CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 57387514 CECOWQPLCUUKKH-UHFFFAOYSA-N 355.350 1.143 0 40 FDAB CCc1ccc(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1 49409377 BVYCJRLFYNXTOQ-UHFFFAOYSA-N 357.395 1.153 0 40 FDAB CCOCCCNC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146265 QXSRBDFFKYKEBV-MRXNPFEDSA-N 359.426 1.181 0 40 FDAB Cc1nnsc1C(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 12146360 LUCOHICYNYZGGS-UHFFFAOYSA-N 368.422 1.548 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 15607721 KYPRYNBDHSUXOG-UHFFFAOYSA-N 374.416 1.667 0 40 FDAB O=C(CCc1cccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052822 JHDGAMVLTUSXLQ-UHFFFAOYSA-N 359.451 1.547 0 40 FDAB Cc1nn(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(C)c1C 19556395 MOZIJUBETXAQCN-INIZCTEOSA-N 368.485 1.602 0 40 FDAB COc1cc(C(=O)Nc2cc(C)nn2Cc2cccnc2)nc(OC)n1 19574559 IHJQMKFPCUQWTO-UHFFFAOYSA-N 354.370 1.694 0 40 FDAB Cn1cnc2ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc21 19748335 IFZFSEGTFCXTIB-UHFFFAOYSA-N 350.444 1.574 0 40 FDAB O=C(c1cc(-n2ccnn2)ccc1F)N1CCCN(CC(F)F)CC1 613160165 PZHORYYGRRZQMT-UHFFFAOYSA-N 353.348 1.819 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)NCC(F)(F)F)CC2=O)cc1 3289223 UYZYVPHSAVTLLY-GFCCVEGCSA-N 372.343 1.824 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccccc1C(N)=O 7044234 RGJIYPBWNJBNKF-GFCCVEGCSA-N 353.378 1.928 0 40 FDAB CCCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 7990614 BRPFRRJUKYDXJQ-GFCCVEGCSA-N 356.444 1.916 0 40 FDAB Cc1ccc(N2C[C@H]3CN(c4ncc(Br)cn4)C[C@@H]3C2)nn1 1888853827 CKCCGFZYPYCNCM-RYUDHWBXSA-N 361.247 1.910 0 40 FDAB CCc1cc(N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)ncn1 1888860002 LSOUWDVOKRILEC-UHFFFAOYSA-N 369.473 1.301 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(C[C@H]4COCCO4)CC3)cnc2c1 1849426397 ONSTVSQIQPNEHK-KRWDZBQOSA-N 373.453 1.533 0 40 FDAB CN(CC1(O)CCN(c2ccccc2F)CC1)[C@]1(C)CCS(=O)(=O)C1 2037956995 MXAPKLDCVLMFPT-QGZVFWFLSA-N 370.490 1.666 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc2ncccc2c1 2037971210 PQXLCPCXWUYIRS-LNRXMEIDSA-N 364.445 1.744 0 40 FDAB CCC(CC)NC(=O)[C@H]1C[C@]2(CO1)CN(Cc1cc(C)[nH]n1)CCO2 2056225654 WVUQDDLBZUZESP-SJLPKXTDSA-N 350.463 1.383 0 40 FDAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C 4386566 GDLBCNLZBOYBLN-UHFFFAOYSA-N 355.373 1.491 0 40 FDAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941073 ZMEWPTLWZZXQOI-TZMCWYRMSA-N 368.455 1.643 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(C3CCCCC3)o2)CC1 13705087 ZFOPSYSFMXHWML-UHFFFAOYSA-N 356.448 1.727 0 40 FDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)no1 44094396 RSDWRIXSWZDJQA-UHFFFAOYSA-N 351.370 1.192 0 40 FDAB O=C(Cn1cncn1)N1CCc2nc3ncc(Br)cc3cc2C1 2298130062 PUNQBXWGNPRYRV-UHFFFAOYSA-N 373.214 1.569 0 40 FDAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC1CC1 15513060 OKAASJCXFOZWFF-SNVBAGLBSA-N 355.423 1.868 0 40 FDAB CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H](c2ccccc2)C1 30030002 MJLBFBMRULYOLH-LJQANCHMSA-N 362.433 1.912 0 40 FDAB O=S1(=O)CCCN1CN1CCN(Cc2c(F)cccc2Cl)CC1 40088183 WAOLDDGNSDSNCQ-UHFFFAOYSA-N 361.870 1.590 0 40 FDAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1Br 40446886 DKLUOCAOBKNJNT-UHFFFAOYSA-N 367.240 1.864 0 40 FDAB Cc1cnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 21336869 JLQFCCJIBLCXIX-KRWDZBQOSA-N 356.407 1.784 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102595221 MCVDLYLOUTUZKZ-OKILXGFUSA-N 358.394 1.895 0 40 FDAB Cc1cc(O)n2nc(CC(=O)NCCc3c[nH]c4ccc(F)cc34)nc2n1 102717049 PZHLKORONCNRHR-UHFFFAOYSA-N 368.372 1.660 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC(=O)CC1 79481684 UKDRXGJYILCSOU-HNNXBMFYSA-N 358.442 1.098 0 40 FDAB COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 22903541 QRJAKFLQQMGNMU-UHFFFAOYSA-N 368.392 1.780 0 40 FDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(CO)c1 8183741 MNIINZGGXGNWBO-UHFFFAOYSA-N 350.396 1.947 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 24602384 YZBCXSGZORWAHW-JKSUJKDBSA-N 357.414 1.259 0 40 FDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCN2CCC[C@@H]2C)C1 97010694 OPOKTSWZVIYFFM-YJBOKZPZSA-N 372.469 1.785 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 25205842 QRCUNCXQPDLEHF-UHFFFAOYSA-N 353.488 1.548 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)Cn2ccc(C(F)(F)F)n2)cc1F 26083636 AOIYXEWTPFZNSQ-UHFFFAOYSA-N 372.322 1.896 0 40 FDAB CCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 48286586 HOFQWSKRFLRVGK-UHFFFAOYSA-N 350.444 1.512 0 40 FDAB Cc1ccc(CC(=O)NCCS(=O)(=O)NCc2ccccc2)s1 58202915 KJBWJTLEWKQCDE-UHFFFAOYSA-N 352.481 1.835 0 40 FDAB COCCN(Cc1ccccn1)C(=O)Cn1nc(C)c2ccccc2c1=O 58379473 FVDYHUAEPSSBIT-UHFFFAOYSA-N 366.421 1.775 0 40 FDAB Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 101753451 MPMGYYYSXBITBB-BBOFZKNUSA-N 353.374 1.826 0 40 FDAB Cc1ccccc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 108527386 HTWLLFOAOBJHQL-ROUUACIJSA-N 350.484 1.762 0 40 FDAB COc1ccc(OC)c2c1CN(Cc1nnnn1-c1ccccc1)C[C@@H]2O 26158398 VKHZVWQYRLITOZ-HNNXBMFYSA-N 367.409 1.729 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NCCc1ccc2c(c1)OCCO2 12876608 UQXUKMQYBZJQIZ-UHFFFAOYSA-N 365.389 1.527 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c1 60348788 RYBMDLXGYRDKEZ-AWEZNQCLSA-N 369.439 1.698 0 40 FDAB O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 29807088 VHZZECPNKZNJOG-INIZCTEOSA-N 368.437 1.940 0 40 FDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCn2c(=O)n(C)c3ccccc32)n1 48408428 QDVLICFERFAKNU-CQSZACIVSA-N 369.469 1.996 0 40 FDAB COc1cccc(CC(=O)N2CCN(C(=O)c3ccc(C)n3C)CC2)c1 68909131 NUDBGJQRCGBRQA-UHFFFAOYSA-N 355.438 1.869 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccnc1 71328897 GPPCQXNDCCMQSL-OAHLLOKOSA-N 353.426 1.940 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csnn1 9250825 XLLYCDWDASMLEO-UHFFFAOYSA-N 352.441 1.965 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 14139191 URPZRGBPVXRHFU-UHFFFAOYSA-N 354.414 1.344 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(Cc4nccs4)C[C@@H]3S2(=O)=O)cs1 306126884 FIBGUEFFVVZQOF-AAEUAGOBSA-N 370.525 1.554 0 40 FDAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 26097845 IACGCDJLCKGUFW-QPJJXVBHSA-N 368.455 1.257 0 40 FDAB CCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 6604964 JKTFJVGOBXMOCF-UHFFFAOYSA-N 356.492 1.543 0 40 FDAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1Cc1cccc(F)c1 4934333 NTOYXMAIOYAHJT-UHFFFAOYSA-N 369.356 1.706 0 40 FDAB Cc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1C(C)C 16047025 FUAOVFMQLYWZLX-ZDUSSCGKSA-N 356.444 1.146 0 40 FDAB CCCN(C(=O)c1ccc2c(c1)NC(=O)CS2)[C@H]1CCS(=O)(=O)C1 7779683 LDMXCHZBEFZJLP-LBPRGKRZSA-N 368.480 1.770 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)c1n[nH]c(=O)c2ccccc12 7942878 DOEQNYMTTCQDOT-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2nccn2C)c1 18232409 FXSBXKWSWWTUIS-UHFFFAOYSA-N 364.471 1.723 0 40 FDAB O=C(CNc1cc2c(cc1Br)OCCO2)N1CCNC1=O 8707550 TUCIJCJKFKOERV-UHFFFAOYSA-N 356.176 1.184 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1 20107961 LOMCSXMKBYXUGY-UHFFFAOYSA-N 359.835 1.049 0 40 FDAB Nc1c(Cl)cc(S(=O)(=O)NC[C@@H](O)c2ccccn2)cc1Cl 95462015 QETAKUZZTFXJJF-GFCCVEGCSA-N 362.238 1.983 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2c(C)noc2C)cc1 23883795 CAZDYTZYSRVMTR-UHFFFAOYSA-N 366.395 1.516 0 40 FDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708866 MMOOENLKXNJPBW-OAHLLOKOSA-N 369.421 1.442 0 40 FDAB Cc1ccc([C@@]2(O)CCN(Cc3ccnc(N4CCOCC4)n3)C2)cc1 36748792 DBYJMALVCFOFRM-HXUWFJFHSA-N 354.454 1.715 0 40 FDAB CCN(CC)[C@@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)C1 525726811 YNQRLNOIMOUBQC-CQSZACIVSA-N 371.441 1.388 0 40 FDAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCO 32090009 OBKNXFYRZGMGOR-NSHDSACASA-N 358.423 1.314 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306140145 ULSDSZQHHAEPOY-RDJZCZTQSA-N 370.428 1.573 0 40 FDAB CC(=O)N1CCC(c2nc(N(C)C)ncc2I)CC1 72343549 WFPATXIZYBWZJS-UHFFFAOYSA-N 374.226 1.873 0 40 FDAB COc1ccc(C(=O)NC2CC2)cc1NC(=O)c1nccnc1C(=O)O 71288379 PJOSQVCTTZGYCV-UHFFFAOYSA-N 356.338 1.328 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 34859971 DMCVNGNWBOALDX-UHFFFAOYSA-N 359.451 1.875 0 40 FDAB COc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 44846684 JDNHAOHLDHMHRN-LBPRGKRZSA-N 374.418 1.717 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1C)CC(O)=N2 71280178 VTTYPXJTTIDIJV-RYUDHWBXSA-N 363.443 1.717 0 40 FDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NCCc1ccccc1 40160759 QLPHUUDXZHSEBB-UHFFFAOYSA-N 371.462 1.864 0 40 FDAB Nc1ccc(-c2ccc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 40167334 BUHCZGHZQKAPGB-HOTGVXAUSA-N 359.476 1.796 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1N1C(=O)CCC1=O 225350479 GJYAZFOTRCGJPQ-UHFFFAOYSA-N 374.418 1.827 0 40 FDAB C[C@@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)n1cnc2c(N)ncnc21 529923785 FIMSGAZQBIOOLP-JTQLQIEISA-N 364.413 1.222 0 40 FDAB Cc1cc(CNC(=O)c2ccccc2SCc2nnnn2C)nn1C 227150323 OFTXUTWBTBWUHS-UHFFFAOYSA-N 357.443 1.474 0 40 FDAB COc1ccc([C@@H](CC(=O)NCc2ccco2)NS(C)(=O)=O)cc1 225954968 NIXGLUOGTQSJNW-OAHLLOKOSA-N 352.412 1.585 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1 225410637 LFBSUTJENVPEOE-UHFFFAOYSA-N 370.434 1.710 0 40 FDAB O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108228 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O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1ccncc1 1549159235 NAOWOBCLAOTAKW-IPMKNSEASA-N 351.410 1.258 0 40 FDAB Cc1ccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)cn1 1549160473 DOCMPCCWQMTATH-INIZCTEOSA-N 356.426 1.017 0 40 FDAB COCCOCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160408 QXHIZQVFXBRSMR-LJQANCHMSA-N 362.426 1.074 0 40 FDAB CN1C(=O)/C(=N\Nc2ncc(F)c(N3CCOCC3)n2)c2ccccc21 8091849 BFZFTEUIFXXHPY-STZFKDTASA-N 356.361 1.245 0 40 FDAB CC(=O)NC1(c2ccc(F)cc2)CCN(CC(=O)N2CCOCC2)CC1 12113163 GLQRAUWUVCGUGB-UHFFFAOYSA-N 363.433 1.112 0 40 FDAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O 12228946 OMULXLWVKQSWGJ-HNNXBMFYSA-N 370.434 1.809 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 14162859 REHOMSUWQHXONN-OAHLLOKOSA-N 372.425 1.532 0 40 FDAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N[C@H](C)CN1CCCC1=O 614995260 BSKOUUWHYMXMRA-LLVKDONJSA-N 357.458 1.563 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22585027 JWRLEHSKLVJRGH-CYBMUJFWSA-N 355.822 1.378 0 40 FDAB CSc1nc(C2CCC2)cc(N2CCN(CCn3nccn3)CC2)n1 1888869581 DSHMRCZADTWKHD-UHFFFAOYSA-N 359.503 1.880 0 40 FDAB Cc1nc2ccccc2nc1N1CCO[C@H](C(=O)N2CCSCC2)C1 1888869697 QZNCQLYZSSZOTK-INIZCTEOSA-N 358.467 1.719 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@@H]21 1565545294 CRQLOJAKGGCKMB-ROUUACIJSA-N 364.465 1.017 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)on1 1565544169 VLGCWKYKVIUYSU-UHFFFAOYSA-N 357.370 1.133 0 40 FDAB O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1cccc(Cl)c1 10594587 FOEWVABSKHYHBE-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1CC1 11796007 OGARAXYMVQSVEN-UHFFFAOYSA-N 351.472 1.055 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)CC1 2055756354 GGSCJOKJCMSMPO-BZLDKRAPSA-N 371.481 1.999 0 40 FDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccc(F)cc1 2055732576 PSLAOYJMDISWRS-OAHLLOKOSA-N 359.401 1.933 0 40 FDAB Cc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccco3)C2)cn1 2055719510 ZPYGZRORCHPDMF-RCCFBDPRSA-N 369.421 1.777 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2cc(F)ccc2C)c(N2CCOCC2)n1 49411111 LJRONSOJSRIRFP-UHFFFAOYSA-N 360.389 1.475 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](Cn1nccn1)c1ccccc1 585366432 WUGFJLJLOBLSQF-OAHLLOKOSA-N 360.443 1.348 0 40 FDAB Cc1cccc(Nc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)n1 49029567 XTUPULSMNGXQFM-UHFFFAOYSA-N 359.455 1.857 0 40 FDAB O=C1CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2N1 33028755 AERBFHONCILGMW-STQMWFEESA-N 355.394 1.537 0 40 FDAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 40024147 GXKXVCTUUSTDRG-GFCCVEGCSA-N 373.434 1.892 0 40 FDAB COc1ccc(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)cn1 40120779 GTHGSRDETFCGJD-UHFFFAOYSA-N 364.427 1.331 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 30569610 PHGCLESXQJWHCM-UHFFFAOYSA-N 374.422 1.836 0 40 FDAB O=C(COc1coc(CN2CCSCC2)cc1=O)NCc1ccco1 40266896 ZFWLZRLYGQEITB-UHFFFAOYSA-N 364.423 1.477 0 40 FDAB CC(C)NC(=O)c1ccccc1NCC(=O)N(C)CC(=O)NC(C)(C)C 50783281 LVKUYPRDMGDCSD-UHFFFAOYSA-N 362.474 1.610 0 40 FDAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1-n1cnnn1 1325519 UQRHUCJKUSNBND-AAEUAGOBSA-N 351.432 1.528 0 40 FDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 626160 DJLUGDOUZKSLKJ-UHFFFAOYSA-N 355.442 1.523 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 22697857 KKDGDBVGTBWAAF-MRXNPFEDSA-N 355.394 1.126 0 40 FDAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 4361483 QQELCMYFWLKFDG-LLVKDONJSA-N 362.382 1.530 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4503962 VLIXPVZDBZWYJY-ARFHVFGLSA-N 359.426 1.591 0 40 FDAB COc1ccccc1N1CCN(CC(=O)NCC(=O)c2ccccc2)CC1 72309013 NQVHUTHPFGDTQG-UHFFFAOYSA-N 367.449 1.816 0 40 FDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(=C(C)C)NN21 10152873 QXSFOCQBIIRMQZ-NSHDSACASA-N 363.805 1.603 0 40 FDAB CC(=O)N1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 23995637 FFKPNAJMDRMPLO-UHFFFAOYSA-N 368.503 1.558 0 40 FDAB O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 12546686 FXNOUQFNUTUWKG-UHFFFAOYSA-N 366.402 1.710 0 40 FDAB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 54147526 BZEFJFVRNIPPOC-HNNXBMFYSA-N 365.499 1.298 0 40 FDAB COc1ccc(CCN(C)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 34887455 KSPPYUNCUDZTHB-ZIAGYGMSSA-N 372.487 1.532 0 40 FDAB O=C(O)/C=C\C(=O)NCCCCCCCCCCNC(=O)/C=C/C(=O)O 104369492 YXZXWVNQJSGPEN-DSOJMZEYSA-N 368.430 1.621 0 40 FDAB O=C(NCCNc1ncccn1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 57061221 BGKMAUBZENDMKE-OAHLLOKOSA-N 368.441 1.949 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(Cc1ccncc1)C1CC1 108455892 UMACUXPYOAAOES-LBTBCDHLSA-N 351.406 1.380 0 40 FDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1nnc2n1CCC2 47988084 YKHKCFGIBVBEMN-UHFFFAOYSA-N 354.414 1.747 0 40 FDAB CC(C)c1nnc(S(=O)(=O)CC(=O)NC2CCCCCCC2)n1C 108599665 VFMGXPHLYFRUOY-UHFFFAOYSA-N 356.492 1.941 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)Cn1c(SC(F)F)nc2ccccc21 57978904 OBZJTUBBQOHQLE-VIFPVBQESA-N 356.398 1.992 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100394243 LHGJBCACLIKDFZ-CLJXZBEYSA-N 365.385 1.848 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)NCc2cccs2)cc1 3246748 MRRWYIVTCUBYLL-UHFFFAOYSA-N 362.407 1.346 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 58028945 QXRVUKHCFYXKJI-ZIAGYGMSSA-N 368.455 1.004 0 40 FDAB COc1ccc([C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N2CCCC2)cc1 48093806 RSHYOODDSOGBRR-CJNGLKHVSA-N 354.472 1.381 0 40 FDAB C[C@@H](NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccccc1 12783835 IWZVNZYWPSGXSL-GFCCVEGCSA-N 357.801 1.960 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCC1CCC(C(=O)O)CC1 2432433 IKLGHGVERJIOAB-UHFFFAOYSA-N 358.398 1.189 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 29678142 XUYREAWUMALGNZ-UHFFFAOYSA-N 352.437 1.587 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 48301546 AACZSDZGUKUTGO-CQSZACIVSA-N 362.430 1.148 0 40 FDAB CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)O 3887582 ZTVZFJITCKNWRS-SNVBAGLBSA-N 368.274 1.934 0 40 FDAB COCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F 49093070 HVOZUDGTTYPGAD-UHFFFAOYSA-N 361.364 1.728 0 40 FDAB CCc1ccc2c(CC(=O)N3CCC4(CC3)NC(=O)NC4=O)coc2c1 27093601 KPCSLJYXHAJHMI-UHFFFAOYSA-N 355.394 1.738 0 40 FDAB O=C([C@@H]1CN(CC2CCOCC2)Cc2cncn21)N1CCC(F)(F)CC1 306125599 CVFIDQKKXCEYLV-INIZCTEOSA-N 368.428 1.924 0 40 FDAB CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704728 RXSRNMZTCQPAGV-QWHCGFSZSA-N 370.471 1.917 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(Cc3ccsc3)CC1)CS2 65504819 KZJBZEFPDYUMND-YOEHRIQHSA-N 365.524 1.846 0 40 FDAB CCOc1ccc2nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)[nH]c2c1 6498513 HWKGNCIZZMOXLS-JTQLQIEISA-N 369.468 1.357 0 40 FDAB O=C(NCCN1CCOCC1)c1cc(=O)c2c(Cl)ccc(Cl)c2[nH]1 6448025 XYVMDVLAFVYNCL-UHFFFAOYSA-N 370.236 1.897 0 40 FDAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 14135470 JFALSCVXOMAKML-AWEZNQCLSA-N 358.442 1.160 0 40 FDAB CCn1c(=O)n(CC(=O)NCC(=O)OCc2ccccc2)c2ccccc21 14701841 OTUSXHCJSCJWLS-UHFFFAOYSA-N 367.405 1.683 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2cc3ccccc3nc2Cl)n(C)c1=O 6972428 WKALMNUSWQYHAL-UHFFFAOYSA-N 355.785 1.684 0 40 FDAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 15327777 IFBPSTDGAAFEQL-UHFFFAOYSA-N 370.452 1.163 0 40 FDAB Cn1cnnc1SCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 9363857 JOYXSWJKJQAJGR-UHFFFAOYSA-N 360.443 1.284 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc(=O)n2ccccc2n1 15753892 YPBYPJRVRJGYOB-UHFFFAOYSA-N 362.345 1.217 0 40 FDAB CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 67909893 MSDRPOLXKKLCNZ-HOCLYGCPSA-N 358.442 1.103 0 40 FDAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(=O)n(Cc2ccccc2)n1 9453797 QPPZSFBXQIFNCS-UHFFFAOYSA-N 373.376 1.724 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 69486156 YFBNIZHWUCMGAI-OLZOCXBDSA-N 357.414 1.342 0 40 FDAB Cc1ccn(-c2ccc(NCCNC(=O)COc3ccccc3)nn2)n1 19924080 ADCFJPJKAPDSEX-UHFFFAOYSA-N 352.398 1.578 0 40 FDAB O[C@H](COc1ccc(F)cc1)Cn1cnc2c(N3CCOCC3)ncnc21 95397138 OREJANRAANNMKQ-AWEZNQCLSA-N 373.388 1.242 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCc2cccc(F)c21 25474375 RNAQFFQVIYSCCB-UHFFFAOYSA-N 374.393 1.950 0 40 FDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(CCO)C(=O)C1 89562735 KNGFRYFNDATVGG-UHFFFAOYSA-N 363.414 1.534 0 40 FDAB Cc1noc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 23358682 MXVWXHVYCPOFBB-UHFFFAOYSA-N 354.407 1.414 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1OC 409390679 LBLQHPIVXYKVHP-ZDUSSCGKSA-N 370.471 1.629 0 40 FDAB CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)(C(=O)O)C1 306684725 IOIXAUZTESBAQD-UHFFFAOYSA-N 350.371 1.987 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cc2cnn(C)c2)cs1 504536037 KMUDKTIXBCYTDN-ZFWWWQNUSA-N 351.451 1.456 0 40 FDAB CNC(=O)c1ccc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cn1 506389189 PZTACLOXLJYAEW-OAHLLOKOSA-N 350.382 1.273 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@H]1COc2ccccc2O1 38630271 ZBIOKHCMTBOCPH-KBXCAEBGSA-N 358.394 1.609 0 40 FDAB COCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1 217597563 WCMDSFLFJJVPDW-UHFFFAOYSA-N 364.423 1.922 0 40 FDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C(C)C)[C@@H]3CO)cc2)no1 72321170 CQBKSLRCCKHBDZ-SJLPKXTDSA-N 373.409 1.905 0 40 FDAB biogenic,in-vitro Nc1nc(Cn2nnn(-c3ccccc3Cl)c2=O)nc2ccccc12 31791320 RTHPGOMVXBKUHB-UHFFFAOYSA-N 353.773 1.656 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 223298287 JPYHEMYVUNZQID-UHFFFAOYSA-N 364.379 1.138 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1c(F)cccc1F 45896210 QZRODOLHSKWTCM-CYBMUJFWSA-N 351.313 1.430 0 40 FDAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958102 YWWCSKZFPJCRAX-JTQLQIEISA-N 369.215 1.723 0 40 FDAB COc1ccccc1NC(=S)NCCN1CCN(c2ncccn2)CC1 44241713 SHOJDVCXRBZFIN-UHFFFAOYSA-N 372.498 1.594 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNC(=O)[C@@H](C)Oc2ccccc2)n1 224178307 CEROPOWGGWDBRR-OAHLLOKOSA-N 356.426 1.705 0 40 FDAB CN(C)C(=O)CN1C[C@H]2CCN(Cc3ccccc3)CC[C@H]2S1(=O)=O 96145630 ODZZUGYIUZBMPB-IAGOWNOFSA-N 365.499 1.001 0 40 FDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COc3ccccn3)C2)n1 96209404 UAGIAVMZONAORI-AWEZNQCLSA-N 352.398 1.363 0 40 FDAB COc1cccc(NC(=O)[C@@H]2Cc3c(ncn3C)N(CC3CC3)C2=O)c1 96264819 FYXRVJYWAJOYCO-HNNXBMFYSA-N 354.410 1.983 0 40 FDAB CCN(C)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96266208 PVAWTYHUCPADDH-UHFFFAOYSA-N 374.466 1.879 0 40 FDAB CCCc1nnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)s1 96344706 UBKRTFCJEVULID-GFCCVEGCSA-N 373.438 1.960 0 40 FDAB O=C(Cc1ccccc1)N1CCC[C@]2(C[C@@H](CN3CCOCC3)CO2)C1 96228434 KVRVTTWGKIJMCQ-FPOVZHCZSA-N 358.482 1.959 0 40 FDAB O=C(Cc1cccc(F)c1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247861532 MTZKIIJETZNZQH-MRXNPFEDSA-N 357.385 1.997 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247812092 DEMHUKMHXJZWEC-GOSISDBHSA-N 365.437 1.751 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 257211614 BZNJMZQAFBXADB-LJQANCHMSA-N 374.462 1.988 0 40 FDAB Cc1nc2ccccn2c1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257267574 MHXHBBBSCXVHSR-JXXFODFXSA-N 356.470 1.631 0 40 FDAB O=C(Cn1ncccc1=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 253394633 BHYBTXYPFKORML-GJZGRUSLSA-N 351.366 1.036 0 40 FDAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)N3CCCCO3)c2)C1 283717654 UTLCBLYMIKKQPI-KRWDZBQOSA-N 360.458 1.621 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1COCCN1CC(F)(F)F 282938724 KAAFXAVTSVJNIK-STQMWFEESA-N 374.359 1.548 0 40 FDAB Cn1cc(-c2ncccc2C(=O)N2CCn3c(nnc3C(F)F)C2)cn1 614233394 LZSOABQHBMTGMK-UHFFFAOYSA-N 359.340 1.667 0 40 FDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cncn1C)CC2 630161219 ICFZTNIFFBVQLA-CYBMUJFWSA-N 359.382 1.652 0 40 FDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCc1nc(-c2ccco2)no1 1615589380 OPDDYPRIMGHLEB-OBJOEFQTSA-N 374.397 1.109 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 681940953 FKWWWHIQVKSVSJ-ZDUSSCGKSA-N 369.487 1.575 0 40 FDAB Cc1ccc(N2CC[C@]3(CN(C(=O)C4CC(O)C4)CCC3(F)F)C2)nn1 585102114 SBPKWQWEQVCZEU-MQBCKMQZSA-N 366.412 1.620 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NC(=O)Cn2cc(C)c(C(F)(F)F)n2)n[nH]1 685941684 GYRUAMJKMNTIGC-GXSJLCMTSA-N 358.324 1.283 0 40 FDAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)NC3CC3)CC2)s1 35325174 KUCPNFSIROFQIT-UHFFFAOYSA-N 363.483 1.442 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc[nH]1 35336373 XKBRUYVIWGQSCS-UHFFFAOYSA-N 351.403 1.343 0 40 FDAB O=C(CNc1ccccc1C(=O)N1CCCC1)NCC(=O)N1CCCC1 50783100 YELIPGVUKRDZKN-UHFFFAOYSA-N 358.442 1.073 0 40 FDAB Cc1cccc(C(=O)N[C@H](C)C(=O)NC2CCN(c3ncccn3)CC2)c1 54779369 VDLFVZSRSJZKAB-OAHLLOKOSA-N 367.453 1.689 0 40 FDAB COC[C@@H](CCO)NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 84185404 DUVQOMQGYIDKHB-CYBMUJFWSA-N 351.378 1.630 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 5027335 HTVDMLDHTTWATO-YCCFLXJFSA-N 363.410 1.699 0 40 FDAB CCC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 14398051 COHDESXBISNQLE-ZDUSSCGKSA-N 370.471 1.919 0 40 FDAB O=C(c1ccc(F)cc1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19404015 JKHGAQIFRJOLFP-ZDUSSCGKSA-N 355.329 1.879 0 40 FDAB CC(=O)N[C@@]12CCN(S(=O)(=O)c3cccc(Cl)c3)C[C@@H]1CN(C)C2 19713085 LOCWTFVJFUOEPI-XJKSGUPXSA-N 371.890 1.171 0 40 FDAB O=C1CN(CC(=O)Nc2ccc(OCc3ccccc3F)cc2)CCN1 19718790 KKTIIIMIECZYFI-UHFFFAOYSA-N 357.385 1.775 0 40 FDAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2cnc(C)cn2)C1 19739069 NLBKXIAKIQQTIY-IBGZPJMESA-N 371.441 1.717 0 40 FDAB CC(=O)N[C@@]12CCN(S(=O)(=O)c3ccccc3Cl)C[C@@H]1CN(C)C2 19713086 NGCLQKYHIGJHDH-XJKSGUPXSA-N 371.890 1.171 0 40 FDAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](n2ccnn2)C1 576700331 CAVSZMWJEYXIAR-NSHDSACASA-N 370.818 1.656 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCCc1ccccc1 5166082 ITQHXJXYQUCQKC-UHFFFAOYSA-N 351.362 1.439 0 40 FDAB C[C@H](c1nnc(-c2ccccc2)o1)n1cnc2c1c(=O)n(C)c(=O)n2C 5165264 CRHFQMNEUHLMLR-SNVBAGLBSA-N 352.354 1.093 0 40 FDAB O=C([C@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCSCC1 1888869935 NUGUZEWIAPDUFQ-MRXNPFEDSA-N 373.482 1.387 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(c5ncc(OC)cn5)C[C@H]4C3)nn12 1888903837 XAUCVVWJPOVPAL-BETUJISGSA-N 366.429 1.058 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCN(c2nccs2)CC1 19079661 QAKKYKUFRWHWKK-UHFFFAOYSA-N 367.481 1.659 0 40 FDAB Cc1ncc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c(C)n1 1848355262 JESKVILSQMPBLH-MRXNPFEDSA-N 354.401 1.402 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ncc(Br)s2)C1 28223351 AJTRERUSDFMAMS-ZETCQYMHSA-N 368.278 1.516 0 40 FDAB C[C@@]1(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)CC=CCC1 1565553851 FDEMUWSBZZITSC-BFYDXBDKSA-N 356.488 1.384 0 40 FDAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 4524326 VCENDNXOYISHKH-XPTSAGLGSA-N 355.272 1.086 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCCN([C@H]2CCOC2)CC1 271249087 DLYFNEVFNCSSGJ-NSHDSACASA-N 350.893 1.887 0 40 FDAB O=C(C1CC(F)C1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745807 CHPXHSPAULVLTQ-UHFFFAOYSA-N 366.462 1.943 0 40 FDAB O=C(C1CC=CC1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773047 OQIFYGMOHAXECX-UHFFFAOYSA-N 370.375 1.846 0 40 FDAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966058 QTDUGQHLWFRLOJ-UHFFFAOYSA-N 373.432 1.943 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2coc(NC(=O)C3CCC3)n2)cc1 75172291 KFRQLSSVPBMBCZ-UHFFFAOYSA-N 364.383 1.313 0 40 FDAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 40040321 ZYFXFXZAIDTNQX-UHFFFAOYSA-N 373.390 1.394 0 40 FDAB Cc1cccc(NC(=O)C2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)n1 40154623 BGQWWQSCEXAIBH-AWEZNQCLSA-N 368.441 1.858 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nncs1 40286969 ZZHYZJALISVJGT-UHFFFAOYSA-N 363.418 1.745 0 40 FDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ncccn4)CC3)c2c1 20746101 IWYXCEVRBKZXEN-QGZVFWFLSA-N 367.409 1.914 0 40 FDAB COc1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc(OC)c1OC 102697883 NCHXKAWMCKUMQO-CHWSQXEVSA-N 374.393 1.602 0 40 FDAB NC(=O)CN1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 32908400 UBRGQWMEWABDJV-UHFFFAOYSA-N 361.833 1.410 0 40 FDAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1OC 665001 JWBLGKSSUXEVHD-UHFFFAOYSA-N 364.423 1.929 0 40 FDAB COCCN(CCOC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 47654039 AKTUQGSQTMSKFY-KRWDZBQOSA-N 350.459 1.871 0 40 FDAB C[C@]1(NC(=O)c2ccc(Br)cc2F)CCS(=O)(=O)C1 22551536 VRBBEODLKOVKLX-LBPRGKRZSA-N 350.209 1.895 0 40 FDAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccccc1O 4560595 QYHDAPSRVVKNBC-JAAXMTQOSA-N 365.382 1.727 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCCCC1 6678796 SDDBLFSQBVAOCE-UHFFFAOYSA-N 373.434 1.879 0 40 FDAB Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)Nc1nccs1 8776750 ZTFRRBZBLKLIKB-UHFFFAOYSA-N 351.457 1.699 0 40 FDAB O=C(COc1ccccc1CN[C@@H]1CCCS(=O)(=O)C1)NCC1CC1 84504944 LCIPLXWUBZGTKK-MRXNPFEDSA-N 366.483 1.258 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N=c1[nH]c2ccccc2[nH]1 35598197 GNLICTYEDYVSQM-HNNXBMFYSA-N 363.377 1.454 0 40 FDAB biogenic CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 27223589 GPWZUDZKIRYEQK-UHFFFAOYSA-N 361.423 1.549 0 40 FDAB COc1ccnc(N2CCN(CC(=O)N3CCc4sccc4C3)CC2)n1 58195314 VPZZIOWTIBEMCW-UHFFFAOYSA-N 373.482 1.254 0 40 FDAB CC1CCN([C@@H](C)CNC(=O)CCn2nnc3ccccc3c2=O)CC1 58179931 QYVQFYAMAXHJOO-HNNXBMFYSA-N 357.458 1.418 0 40 FDAB COc1ccccc1OCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 12869901 INEFCFTXDSLQIL-UHFFFAOYSA-N 365.411 1.543 0 40 FDAB CC(C)Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10968246 XLWKBECZWUWPEL-UHFFFAOYSA-N 352.398 1.404 0 40 FDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408593578 QINVTHQRMQYUCJ-UXBLZVDNSA-N 369.171 1.825 0 40 FDAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)NC1CC1 63559778 JGMIWXLDICDMOM-JTQLQIEISA-N 356.831 1.828 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(C)c1)C1=C(COC1=O)N2 4495962 YBWJRSOBTLEXOP-ZDUSSCGKSA-N 353.378 1.623 0 40 FDAB NC(=O)CCN(C(=O)Cn1cnc2ccsc2c1=O)c1ccc(F)cc1 14140066 QPFCXIBCIZBSAL-UHFFFAOYSA-N 374.397 1.506 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207859 YYASSRAVWNZUHP-UHFFFAOYSA-N 364.851 1.122 0 40 FDAB O=C(CSc1nc2ccccc2c(=O)[nH]1)NC(=O)NCC(F)(F)F 9154232 HCBHKQQFXUDWJT-UHFFFAOYSA-N 360.317 1.403 0 40 FDAB O=S1(=O)[C@@H]2[C@H]3CN(Cc4ccc(F)cc4)C[C@@H](O3)[C@H]2CN1CC1CC1 306135866 PDHJYDSMGXNBCB-TVFCKZIOSA-N 366.458 1.449 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(F)cc2Cl)CC1 16440209 KBBBUNMOMDBMQI-ZDUSSCGKSA-N 374.865 1.558 0 40 FDAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)CO)c2)cc1 97203764 QUZLNTQGGSIFRI-CQSZACIVSA-N 362.451 1.931 0 40 FDAB COC[C@@](C)(CC(=O)O)NC(=O)c1nc(C)n(-c2ccccc2Cl)n1 95989834 DIPLDCMYTOWVNR-MRXNPFEDSA-N 366.805 1.839 0 40 FDAB O=C1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CN1 95996748 KFBPNVNHJDBVNC-STQMWFEESA-N 370.236 1.603 0 40 FDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408974845 HLEUMCZWWMVNMQ-CFGMGRTJSA-N 357.362 1.059 0 40 FDAB O=C(NCc1ccccn1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670612 PDMFVEXZRMOLRG-CYBMUJFWSA-N 353.382 1.180 0 40 FDAB CN(C)c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 71768187 VDKCFCXMBOMMMH-UHFFFAOYSA-N 358.486 1.699 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@](O)(c2ccccc2)C2CC2)CC1 70966985 DKZQEQXPTHHBMP-SFHVURJKSA-N 366.483 1.072 0 40 FDAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)CC)CC3)cc2)C1 72228515 NIOJIDZHMYZDQF-HNNXBMFYSA-N 373.453 1.661 0 40 FDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1OC 71980356 DNSXDYIHVUXYNW-OAHLLOKOSA-N 362.426 1.823 0 40 FDAB Cc1ccccc1NC(=S)NCCN1CCN(c2ncccn2)CC1 44241741 SGVWTAPIJVCZPY-UHFFFAOYSA-N 356.499 1.894 0 40 FDAB O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225729306 HRBYIZVMTVDCSW-SNVBAGLBSA-N 354.288 1.477 0 40 FDAB O=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1cccnc1 225589122 GISBPLTZAYLNQN-OAHLLOKOSA-N 350.421 1.951 0 40 FDAB COc1ccc(CNC(=O)N2CC[C@H](Oc3cncc(OC)n3)C2)cc1 225396137 ZXDHMPDFGDKPJC-HNNXBMFYSA-N 358.398 1.857 0 40 FDAB CCCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2)ccc1=O 21604273 NFFNHGCVXXIUCW-GFCCVEGCSA-N 359.382 1.846 0 40 FDAB biogenic CC(C)CN1CC(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 230095238 JEMWNCHPJUPRDL-CABCVRRESA-N 356.875 1.810 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3nccs3)C2)CN1c1cccnc1 96051336 RYWCCSLBVMWYJN-QGZVFWFLSA-N 360.439 1.173 0 40 FDAB CC(C)CN1C[C@H]2CCN(C(=O)c3cccnc3)CC[C@H]2S1(=O)=O 96145595 RHYSEBCMPPAYEI-HZPDHXFCSA-N 351.472 1.604 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cccc(F)c3)c(=O)cc2C1 96105725 JEBWVQBWNREIGL-UHFFFAOYSA-N 374.372 1.536 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)n1 96062375 LZXITMMBLWZZBE-HXUWFJFHSA-N 369.469 1.488 0 40 FDAB O=C(O)[C@H](O)[C@H](CC1CCCCC1)NS(=O)(=O)c1cncc(F)c1 584244863 CJPCGTMUYRKRQB-UONOGXRCSA-N 360.407 1.284 0 40 FDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223025 WUWZFHNSFUFROL-BBRMVZONSA-N 357.451 1.996 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccccc3)c(=O)cc2C1 96105700 GNTXOLVJHVWZTC-UHFFFAOYSA-N 356.382 1.397 0 40 FDAB Cc1cccc(CO[C@H]2CSC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 247944682 JKLXOWBZSYMQSS-CQSZACIVSA-N 357.501 1.273 0 40 FDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](Cn2ccnn2)C1 245569373 YNANVDWYWGSXDD-HZPDHXFCSA-N 355.446 1.374 0 40 FDAB Cc1nc(COCC[C@@H]2CN(S(C)(=O)=O)Cc3ccnn32)cs1 248061122 VONSLMPUUUSSKO-CQSZACIVSA-N 356.473 1.571 0 40 FDAB Cc1nc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1 248002645 CKYCAUAKWOGTJU-CQSZACIVSA-N 368.484 1.541 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247358334 YMSHIJADOUPUPL-CYBMUJFWSA-N 363.464 1.804 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCOC[C@H]1c1nc[nH]n1 585081491 XTZOVOHKJVCEOO-ZDUSSCGKSA-N 373.804 1.561 0 40 FDAB CN(C)Cc1cnc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)[nH]1 257288232 PTLLHHLRRGUJBJ-OAHLLOKOSA-N 350.463 1.457 0 40 FDAB Cc1ccccc1C(=O)NC[C@@]1(O)CCN(c2cc(N(C)C)ncn2)C1 257274777 NMPDGYGYPIMUCP-IBGZPJMESA-N 355.442 1.222 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Oc1ccccc1 257263082 LOHYWTUBUZWRDP-RDJZCZTQSA-N 373.453 1.170 0 40 FDAB COc1ccccc1CC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257225156 FFCHKMFQELRWAE-CQSZACIVSA-N 357.410 1.451 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@](O)(CN2CCOCC2)C1 257273456 NGQCWNXACRXRMQ-QGZVFWFLSA-N 356.825 1.317 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 257286262 PKYHLCNUQHETCW-SFHVURJKSA-N 355.413 1.898 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cnccn3)C2)cc1 257213442 CHQKKGOUUHCIHT-LJQANCHMSA-N 356.426 1.194 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH]1 257299289 RPLIVDAFKRCDNV-LBPRGKRZSA-N 358.446 1.696 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1 257307163 SXLQDAWQKXNNSC-MRXNPFEDSA-N 350.382 1.579 0 40 FDAB CNC(=O)N[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2F)C1 1643187513 QMAJJSFUCKCVJU-GFCCVEGCSA-N 369.404 1.852 0 40 FDAB C[C@H](C(=O)N1CCC[C@@H](n2ccnn2)CC1)n1nnc(-c2ccccc2)n1 636190456 SMZUFEHMLLJODA-GDBMZVCRSA-N 366.429 1.746 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 643720541 HOTNMLKPAFJGFZ-INIZCTEOSA-N 350.806 1.857 0 40 FDAB CC(C)(CO)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC(=O)C2)CC1 644047336 XEYLXKNUIXMVTG-UHFFFAOYSA-N 364.873 1.856 0 40 FDAB CCn1ccnc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644493155 ZRLJPMKZTHHBEZ-HXUWFJFHSA-N 356.470 1.936 0 40 FDAB CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2CCOC2(C)C)C1 662077072 BSJZLRIVLYDNOS-RTBURBONSA-N 374.529 1.917 0 40 FDAB O=C(N[C@@H](C(=O)NC[C@@H]1COCCO1)c1ccccc1)c1ccccc1 84519392 HXHOQXFBVWUKID-QZTJIDSGSA-N 354.406 1.689 0 40 FDAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(N)nc4c3cnn4C)C2)n1 514799242 UFCMFEJPILZTKY-GFCCVEGCSA-N 366.429 1.504 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC(=O)N[C@H]1c1cccnc1 12147994 FLTSQEZFAHYYMN-LPHOPBHVSA-N 355.442 1.501 0 40 FDAB O=S(=O)(c1ccc(Br)c2ccccc12)N(CCO)CCO 12290908 UZRQICXBRWSLIA-UHFFFAOYSA-N 374.256 1.578 0 40 FDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 17075891 YGTSBWSWLUWAKN-SGESZLJQSA-N 370.449 1.722 0 40 FDAB CCCCn1nnnc1COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 19297593 BIUSDTJPROEDNA-UHFFFAOYSA-N 362.415 1.745 0 40 FDAB Cc1c(CN2CCN(C[C@H]3CCCO3)CC2)c2ccccc2n1CC(N)=O 19581869 XYCYDFQENGFJPE-QGZVFWFLSA-N 370.497 1.732 0 40 FDAB COCCC(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 19585627 HBDDEAKNFBLNNC-GFCCVEGCSA-N 359.430 1.127 0 40 FDAB Cc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1S(C)(=O)=O 157059183 XDLFTLYCCSMCKL-CYBMUJFWSA-N 351.346 1.538 0 40 FDAB C[C@H]1Cc2cc(-c3cc(CC(=O)N4CCC(C(N)=O)CC4)no3)ccc2O1 35592888 ZCSVKSXMEHSRLK-LBPRGKRZSA-N 369.421 1.931 0 40 FDAB O=C(c1ccncc1F)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888866276 PCFCXDWHPGBCHI-UHFFFAOYSA-N 361.352 1.695 0 40 FDAB CCn1cnc2c(N3CCN(c4ncnc5cnccc45)CC3)ncnc21 1888919440 RYZNGHCFXQPYRU-UHFFFAOYSA-N 361.413 1.511 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccc3c(N)[nH]nc3n2)C1 1848356103 IITIVAPMJZYYFR-GFCCVEGCSA-N 353.430 1.829 0 40 FDAB O=C1CC(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)=CC=N1 2056223710 BLNLEZVBRKMQKT-OAHLLOKOSA-N 356.451 1.185 0 40 FDAB Cc1ncnc(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)c1C 1565553772 DVYNFKLZXZKXNW-UHFFFAOYSA-N 351.410 1.706 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1 7419048 ILNIIPPTFBWSAC-UHFFFAOYSA-N 357.345 1.729 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CC1)N1CCc2ccccc2C1 21155826 YOIJGLTXURKACA-LJQANCHMSA-N 366.465 1.519 0 40 FDAB O=S(=O)(NC1CCN(c2ncccc2Br)CC1)C1CC1 2086860413 QSGKEQHKLXRKLL-UHFFFAOYSA-N 360.277 1.895 0 40 FDAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)n1 585389470 AOFQVHRGUNNFJA-NSHDSACASA-N 363.468 1.993 0 40 FDAB O=C(Cc1noc2ccccc12)N1CCc2nc3ccccn3c(=O)c2C1 225776879 AZWYTVQAMZCRPG-UHFFFAOYSA-N 360.373 1.963 0 40 FDAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)NC(N)=O)s1 3494518 ZTWZRMCBMCGHPS-SSDOTTSWSA-N 353.429 1.966 0 40 FDAB COc1ccccc1-c1n[nH]/c(=N/C(=O)[C@H](C)NC(=O)c2ccoc2)[nH]1 40154215 JZAGBTMCJYREHZ-JTQLQIEISA-N 355.354 1.252 0 40 FDAB Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100641774 IOJRTBBESPKXAT-FUXXODJASA-N 367.401 1.917 0 40 FDAB C[C@H]1CCCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c21 20503127 YXNHIRUGHMZEDA-LBPRGKRZSA-N 372.498 1.893 0 40 FDAB CC(C)CCNC(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 32074597 GZKSPUPRGCMXGQ-HNNXBMFYSA-N 367.471 1.771 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 21526034 DSZLUBUDVRZMAC-STQMWFEESA-N 358.442 1.541 0 40 FDAB Cc1[nH]c(C(=O)N[C@@H](C)CN2CCOCC2)c(C)c1C(=O)OC(C)C 32931461 YWVARJRWSADISI-LBPRGKRZSA-N 351.447 1.647 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)C[C@H](C)O1 32915005 KTLIGDWLWMZAIZ-RYUDHWBXSA-N 360.863 1.509 0 40 FDAB CCCN(CCC)S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 46800387 KDMUOCPVRHOGFC-UHFFFAOYSA-N 356.492 1.375 0 40 FDAB CN1CCc2ccc(S(=O)(=O)NCc3ccc(-n4cccn4)nc3)cc21 79055918 ROWQZCBGLGZMSA-UHFFFAOYSA-N 369.450 1.738 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 3543834 NPKRQDFHKZPSBT-UHFFFAOYSA-N 373.409 1.087 0 40 FDAB COC(=O)c1cc(CN(C)C(=O)Cn2ncc3ccccc3c2=O)oc1C 23056206 ZIJSVXKMRKHIAY-UHFFFAOYSA-N 369.377 1.743 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 7497698 LHPZZFHKOKSVCV-UHFFFAOYSA-N 353.400 1.600 0 40 FDAB COc1ccc(Br)cc1CN(C)CN1C(=O)C(=O)N(C)C1=O 23384524 QFUNGSSANUJWFJ-UHFFFAOYSA-N 370.203 1.268 0 40 FDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccccc1 23642091 QHAHBTVTEIUQMM-UHFFFAOYSA-N 359.378 1.843 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1 10385134 LNZZZBSHBFDADD-AAEUAGOBSA-N 352.412 1.187 0 40 FDAB COC(=O)c1cc(NC(=O)CSc2nnnn2C2CC2)ccc1F 24434732 DHYRRGGWXUFWMC-UHFFFAOYSA-N 351.363 1.665 0 40 FDAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCS(=O)(=O)C1 12540833 UMDPKCZFYRZPCF-ZDUSSCGKSA-N 362.407 1.556 0 40 FDAB COC(=O)c1ccc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1 9236017 CSYKZSSEWNVJQC-UHFFFAOYSA-N 359.361 1.685 0 40 FDAB CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 57089481 YWVSMNFJOOLTMF-QGZVFWFLSA-N 365.499 1.538 0 40 FDAB C[C@@H](CNC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 35325505 JSIUUVALJFDELQ-HNAYVOBHSA-N 351.450 1.819 0 40 FDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)NCc1cccs1 44455307 JQDWOKOGAKTHEI-UHFFFAOYSA-N 365.480 1.940 0 40 FDAB C[C@@H](Nc1nc(-c2c(N)n(C)c(=O)n(C)c2=O)cs1)c1ccccc1 12793908 FZASXJZINWBHJF-SNVBAGLBSA-N 357.439 1.963 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(OCC2CC2)nc1 58178452 ZDVNXAXPJCXLQH-UHFFFAOYSA-N 364.405 1.897 0 40 FDAB O=c1cc(CO)oc(CN2CCN(c3nsc4ccccc34)CC2)c1O 57160091 HNOHFATXDHSKJA-UHFFFAOYSA-N 373.434 1.770 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101047048 JVTQDRHXOXEWFX-KCSPJYCRSA-N 350.374 1.971 0 40 FDAB CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O 12895811 XYQCSTPSQQNGIA-QFYYESIMSA-N 374.393 1.979 0 40 FDAB biogenic COc1cc(S(=O)(=O)n2cccn2)ccc1I 11614082 VBKKVMYMUCOJRG-UHFFFAOYSA-N 364.164 1.733 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 11939051 KQIUNSZAANCKOB-GDBMZVCRSA-N 361.442 1.976 0 40 FDAB Cc1cccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 20236672 OIWMDDBWQCDSBO-UHFFFAOYSA-N 361.423 1.499 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O 12919728 FKBCSZDXPQCZQE-OAHLLOKOSA-N 354.472 1.646 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2ccco2)CC1 25168639 BQYJCDWIFGSXEI-UHFFFAOYSA-N 353.400 1.468 0 40 FDAB COc1ccccc1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6354164 IUXLOAQJSIFIET-UHFFFAOYSA-N 353.330 1.717 0 40 FDAB CCCc1n[nH]c(=S)n1CC(=O)NCCN(C)C(=O)OC(C)(C)C 65576955 UMDFZNNHAINUKP-UHFFFAOYSA-N 357.480 1.876 0 40 FDAB COCc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)o1 96005230 VWMXSCIWVUURJO-HNNXBMFYSA-N 370.471 1.893 0 40 FDAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12 5451883 UXTAABUVERSZCO-LBPRGKRZSA-N 373.438 1.471 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccccc2)CC1 6980019 OUGWWFGOPMNBSF-UHFFFAOYSA-N 370.453 1.590 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1c(C)[nH]s/c1=N\C 9498828 SCQVSXDFNAUQSC-YOEHMKRZSA-N 369.443 1.016 0 40 FDAB COc1cccc(C(=O)NCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c1 8314028 AEPVMAMVLNYMBT-UHFFFAOYSA-N 373.384 1.661 0 40 FDAB O=C(O)[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1F 88374358 GYLFTHGRDXITHH-JTQLQIEISA-N 362.151 1.279 0 40 FDAB O=C(c1cc[nH]n1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999143 KQKNMCUFDCENJO-AWEZNQCLSA-N 360.439 1.407 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218335364 YLZVJCPUAYIXNN-GJZGRUSLSA-N 368.451 1.872 0 40 FDAB Cc1ccsc1CN1C[C@@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@H]2C1 306139884 UDKZRQDTINXPBY-QWHCGFSZSA-N 357.483 1.845 0 40 FDAB O=C(c1ccc(S(=O)(=O)NCCc2ccccc2)o1)N1CCOCC1 35597412 UFRFKSUCHNLDCB-UHFFFAOYSA-N 364.423 1.273 0 40 FDAB COc1ccccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 306137860 RIKDIRPUHQMRSO-GPMSIDNRSA-N 368.437 1.362 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 306141800 WGUHZQTYYGAIAC-KRWDZBQOSA-N 371.466 1.537 0 40 FDAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35360169 JUBVDOBRUVSYHR-ZWKOTPCHSA-N 355.438 1.751 0 40 FDAB COc1ccc(CC(=O)N2CCNC[C@@H](COc3ncccn3)C2)cc1 72354491 LTIRGLZQFFZVCE-MRXNPFEDSA-N 356.426 1.155 0 40 FDAB N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2ccnc3nccn23)C1 72360639 STCXQKWIPUPOOT-ZBFHGGJFSA-N 353.401 1.754 0 40 FDAB COCCS(=O)(=O)N1CCC(NC(=O)CCCc2ccccc2)CC1 72265453 RCMYVOKFJKGIST-UHFFFAOYSA-N 368.499 1.566 0 40 FDAB CCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)OC)CC3=O)cc2)CC1 72228517 KYBVQSLSJVPBRJ-AWEZNQCLSA-N 359.426 1.271 0 40 FDAB CCOCc1nn2c(=O)cc(COC(=O)Cc3ccccc3)nc2s1 41078219 WSDJFWUIXCXQQZ-UHFFFAOYSA-N 359.407 1.973 0 40 FDAB O=S(=O)(Cc1cccc(F)c1)NC[C@H](c1ccco1)N1CCOCC1 49489962 MGXFISXIPKAIEK-MRXNPFEDSA-N 368.430 1.912 0 40 FDAB O=C(NCC(=O)N1[C@H]2CC[C@H]1c1cncnc1C2)OCc1ccccc1 225674017 YEZUXYHQTWWDTH-YOEHRIQHSA-N 352.394 1.991 0 40 FDAB CCOCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225952368 POJJNDKQLXXWFU-CQSZACIVSA-N 362.879 1.863 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3cnccn3)C[C@H]1CN(C(C)C)C2 96055915 FNUGDKAHCHKFNE-KXBFYZLASA-N 360.458 1.602 0 40 FDAB CNC(=O)c1ccc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 534586657 ZWTPJDWCVUELDN-AWEZNQCLSA-N 357.376 1.937 0 40 FDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)c1cnccn1)CC2 96199984 QFCVNXNUCJPFDK-HNNXBMFYSA-N 351.410 1.492 0 40 FDAB Cc1nc(-c2ccnn2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257279884 OINVOLOBGXFWCU-ZDUSSCGKSA-N 364.475 1.171 0 40 FDAB Cn1cc(CN2CCC[C@@H](c3cccc(C(=O)N4CCOCC4)n3)C2)cn1 257278512 OCOBBPCRGOJTFH-QGZVFWFLSA-N 369.469 1.667 0 40 FDAB COc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257210703 BVUFCHGNOULHCE-LJQANCHMSA-N 356.426 1.589 0 40 FDAB Cc1cc(C)n(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)n1 257290053 QBJFJAZCZGLEAK-WMZOPIPTSA-N 358.442 1.634 0 40 FDAB CCc1nccn1-c1ccnc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 257322127 WERPJODPARFUTC-CQSZACIVSA-N 363.487 1.816 0 40 FDAB NC(=O)[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)Cc1ccc(F)cc1 662407462 CIVICLXDJOQNNN-YJBOKZPZSA-N 355.413 1.821 0 40 FDAB CN1c2ccc(F)cc2N(CCNC(=O)c2cncc(F)c2)S1(=O)=O 575610801 BEVQXAWUBSADLH-UHFFFAOYSA-N 368.365 1.291 0 40 FDAB CCOC(=O)N1CCC(O)(CN2CC[C@H]3[C@@H]2CCCCN3C(C)=O)CC1 585285562 ZYZNXGRRKBXZRT-IRXDYDNUSA-N 367.490 1.445 0 40 FDAB Cn1nncc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 585091899 BIPGVEYFIGUSNB-ZDUSSCGKSA-N 354.407 1.495 0 40 FDAB O=C(c1ccnc(F)c1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 585109023 OJRRCLQKXJTCCS-VQIMIIECSA-N 364.417 1.753 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 585102397 GUPRNKZVFLHSKG-HKUYNNGSSA-N 374.416 1.437 0 40 FDAB CN1CCC(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)CC1 1615156495 JLKMFWMYRKDDJV-OAQYLSRUSA-N 371.481 1.753 0 40 FDAB O=C(c1ccc(O)nc1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615130731 ZJPWMEAAKGKGEN-LJQANCHMSA-N 353.378 1.435 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)O 5415758 LTLGHWWAISDESV-FOGDFJRCSA-N 369.830 1.977 0 40 FDAB CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(/C=C3\C=CC=N3)c(N)n12 5895907 RYZTYDAEKPLOTD-VQHVLOKHSA-N 372.431 1.876 0 40 FDAB COc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 11716160 IYSPOJWNHYYJIQ-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 14139131 FPVXJQIFAGIMOP-UHFFFAOYSA-N 360.439 1.233 0 40 FDAB CC(=O)NCCNC(=O)[C@H](NC(=O)Cc1cccc2ccccc12)C(C)C 14229927 YGRYLYLAZKHNAJ-HXUWFJFHSA-N 369.465 1.775 0 40 FDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2N1 14607169 ZXBYMIVDMQOMFP-LLVKDONJSA-N 367.331 1.960 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC1(CN2CCOCC2)CCCCC1 19584013 WJGUMCLZHAESSV-UHFFFAOYSA-N 356.492 1.042 0 40 FDAB CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1 19699490 JMJWNBKLVNHHHM-UHFFFAOYSA-N 364.490 1.430 0 40 FDAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)COc1ccccc1)C2 19708624 KIXJRRHTDJJCLW-MRXNPFEDSA-N 367.453 1.907 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101686165 BIPVRXOQQHRWGE-FZNQNYSPSA-N 369.421 1.918 0 40 FDAB CCOC(=O)CCc1c(C=O)[nH]c(C(=O)OCC)c1CC(=O)OCC 4280599 LPVLXTLGSADVLO-UHFFFAOYSA-N 353.371 1.605 0 40 FDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1nc(N2CCCC2)ncc1Cl 679588858 SDXQKGBNYAHEMN-LLVKDONJSA-N 363.849 1.471 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@H]1CCCc2ccccc21 3544109 RQCVTGRDTXBDFY-INIZCTEOSA-N 369.421 1.914 0 40 FDAB Cc1cc(OC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)ccn1 1889152079 ZOYKSRASYMIZTB-UHFFFAOYSA-N 351.362 1.276 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)n1 1565547341 PXJJXUSIQQMNOS-UHFFFAOYSA-N 354.414 1.008 0 40 FDAB O=S(=O)(NCc1cn2ccsc2n1)c1ccc2c(c1)OCCO2 4003717 IFZMXKDNXMMBGD-UHFFFAOYSA-N 351.409 1.646 0 40 FDAB CCCCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713445 QJUCFWSANFVDRG-HNNXBMFYSA-N 362.474 1.614 0 40 FDAB O=S(=O)(N1CCOCC1)N1CCS[C@@H](c2ccccc2F)CC1 219166390 UCFMNHVMPRCTHB-OAHLLOKOSA-N 360.476 1.883 0 40 FDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cnsn2)CC1 585149037 XJGHLJDJCYGBSM-UHFFFAOYSA-N 362.839 1.842 0 40 FDAB COCc1nsc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)n1 2298219165 MNGRCUNBZLAILD-UHFFFAOYSA-N 372.458 1.202 0 40 FDAB Cc1nc2sc([C@@H](c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1 22458760 SKFIRZNFQIBLAS-OAHLLOKOSA-N 373.482 1.504 0 40 FDAB C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO 36596843 SGMTWHGKRYJKPN-GFCCVEGCSA-N 372.450 1.704 0 40 FDAB CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 40095532 RDZOXPWPBCJXHE-UHFFFAOYSA-N 356.448 1.041 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 31208605 ZUWVZHVMSLRBNP-KRWDZBQOSA-N 372.513 1.911 0 40 FDAB C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(c32)O1 51364618 FWBPCBSVCCTLPC-SNVBAGLBSA-N 361.373 1.372 0 40 FDAB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 41182019 CIUOHXDKABOJFV-UHFFFAOYSA-N 374.374 1.704 0 40 FDAB CC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)nn(CCO)c1C 32928546 MRHIVCMHSLCOGD-UHFFFAOYSA-N 359.382 1.490 0 40 FDAB COCCN1CCC[C@H]1COC(=O)c1cc(OC)c(OC)c(OC)c1 79096042 WQIBUKIPBXOCNN-AWEZNQCLSA-N 353.415 1.980 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1 79487099 DDMXCNPMWUPHNA-CYBMUJFWSA-N 351.838 1.037 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2927677 BXLMNVKJUCONPG-KBPBESRZSA-N 365.389 1.402 0 40 FDAB O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237242 BSGPVAKFORCVFO-GOEBONIOSA-N 373.416 1.960 0 40 FDAB biogenic,in-vitro Cc1c(C(=O)Nc2ccc(-n3cncn3)nc2)sc2ncn(C)c(=O)c12 23056364 WERIONKORBUYRB-UHFFFAOYSA-N 367.394 1.531 0 40 FDAB CCOC(=O)CN(CC(=O)N1CCNC1=O)Cc1ccc(Cl)cc1 52863977 RZEZXZVVCGKRLI-UHFFFAOYSA-N 353.806 1.257 0 40 FDAB CSCc1nc2ccccc2n1CC(=O)N1CCN(C(=O)C2CC2)CC1 12547886 MPCFCTZPGYKQBK-UHFFFAOYSA-N 372.494 1.980 0 40 FDAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1CO 100763454 DESFQEVSXUSWPJ-IAGOWNOFSA-N 357.454 1.936 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1OC 100917895 FVDHBXQOSUJIFW-GKDNMFGBSA-N 359.378 1.113 0 40 FDAB COC(=O)c1cccc(OCCSc2nnnn2C[C@@H]2CCCO2)c1 58166650 JHZFELQFFJAVTO-AWEZNQCLSA-N 364.427 1.810 0 40 FDAB NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 58121685 ZZWXRDKLQXEBLO-UHFFFAOYSA-N 354.410 1.252 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)n1 44893001 SQFRKTLBROCNEN-UHFFFAOYSA-N 370.800 1.785 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NCc1ccco1 58227020 JFCLBCQNENJEBP-UHFFFAOYSA-N 359.401 1.422 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(Cn2c(=O)oc3cc(Cl)ccc32)C1 48288769 KAVSKIOWPBOKED-LLVKDONJSA-N 373.862 1.467 0 40 FDAB Cn1cccc1C(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 12799946 JSHKGKVXHYMBBE-OAHLLOKOSA-N 369.421 1.890 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(C(=O)NCc2ccccc2)CC1 11469243 VFGILWDPVOXTAO-AWEZNQCLSA-N 372.469 1.392 0 40 FDAB CN(C)C(=O)CCCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 46109163 VZJZYFWGNGROHZ-UHFFFAOYSA-N 361.847 1.894 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)C1 92822842 KCDVRLCHPDJDFQ-JTQLQIEISA-N 366.365 1.646 0 40 FDAB Cc1ccc(CNC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 14083581 JBHUYXWWMSVUAP-UHFFFAOYSA-N 353.382 1.523 0 40 FDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCOCC1 14163594 VZPAMPRDSDBRDY-LBPRGKRZSA-N 374.409 1.224 0 40 FDAB CCCCS(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 96000387 VFRQHVYPUYAFOG-LBPRGKRZSA-N 357.480 1.860 0 40 FDAB COc1nc(C)cc(C)c1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 66781026 JKAQKHPVVFLNKF-UHFFFAOYSA-N 374.441 1.578 0 40 FDAB O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 16695625 XMQKRTHCPKIVIL-QGZVFWFLSA-N 369.465 1.762 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)CCCO)ccc21 95459020 AJGCRABODWYDBO-UHFFFAOYSA-N 354.472 1.673 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)C4CCCC4)CC3)C2=O)cn1 95961312 VJXZGJFFYPYZMA-QGZVFWFLSA-N 359.474 1.250 0 40 FDAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 95965182 AAFYQKNRMAKPRW-OCCSQVGLSA-N 365.865 1.480 0 40 FDAB CN(CCc1ccccn1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999814 YVJLPSOYYRGGKY-UHFFFAOYSA-N 359.451 1.410 0 40 FDAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OC 409374871 AUKRIYOJMXLDPL-SECBINFHSA-N 353.176 1.642 0 40 FDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(CC)cc3)C[C@@H]1C2 306136830 QEPVVGRDQRLVTL-DLBZAZTESA-N 353.470 1.895 0 40 FDAB NC(=O)C(=O)c1cn(CC(=O)NCc2ccccc2F)c2ccccc12 408576668 YAGBIINNJZMMDQ-UHFFFAOYSA-N 353.353 1.765 0 40 FDAB Cc1ccncc1S(=O)(=O)NC(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 408494581 DPHGLIIKHYRZLI-CNVPUSNMSA-N 364.345 1.551 0 40 FDAB Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2nc3ncccn3n2)n1 36618730 OBDBUSYKBBYVDU-SECBINFHSA-N 367.335 1.714 0 40 FDAB CCc1ccccc1NC(=O)Cn1nnc2cc3c(cc2c1=O)OCCO3 32647407 HRIBQJWSOJVWKJ-UHFFFAOYSA-N 366.377 1.764 0 40 FDAB Cc1cc(NC(=O)CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)n(C)n1 517130939 TUENTOLGGPDRIS-BETUJISGSA-N 364.352 1.469 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2cc(C)nn2C)C3)nc1 306141610 WCAYJVHVKFBWNS-MRXNPFEDSA-N 356.474 1.920 0 40 FDAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C(=O)Nc1ccon1 43943998 LRJHYUXEOMWZQB-UHFFFAOYSA-N 374.372 1.421 0 40 FDAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCCCN1CCCC1=O 49380354 QCSBLLFZCFSIIB-UHFFFAOYSA-N 362.405 1.196 0 40 FDAB COc1ccc(-c2noc(C(=O)N3CCC(C(N)=O)CC3)c2[C@H](C)O)cc1 225429199 KVAHWUURWIVCKD-NSHDSACASA-N 373.409 1.741 0 40 FDAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)n1 40268714 YFKGGULSAISOHT-UHFFFAOYSA-N 351.410 1.704 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ncc(C(=O)O)s1)OCO2 564984049 NBKOPRAWBYDAMO-QMMMGPOBSA-N 370.408 1.918 0 40 FDAB COc1ccccc1OCCNC(=O)C(=O)Nc1n[nH]c2ncccc12 44902670 KWWMZAIZYBJAGZ-UHFFFAOYSA-N 355.354 1.100 0 40 FDAB O=C(NCCCN1CCCCCC1)[C@@H](Cc1ccccc1)n1cnnn1 41799943 NJOOZHPFTLFRFM-GOSISDBHSA-N 356.474 1.839 0 40 FDAB Cc1nnc2c(N3CCN(C(=O)c4cnc(O)c(Cl)c4)CC3)nccn12 225799877 RGXYUYWBWMBCSP-UHFFFAOYSA-N 373.804 1.149 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2cccnn2)C1 225416482 JZAFIPOXWADBFM-QGZVFWFLSA-N 354.410 1.607 0 40 FDAB CCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224176409 PAHXBZSVEWFGSO-UHFFFAOYSA-N 356.426 1.950 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 225496626 LPONRRSTXYLONK-AWEZNQCLSA-N 367.409 1.905 0 40 FDAB COc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1F 48449487 NTFQWHKLTJSYRG-UHFFFAOYSA-N 367.402 1.846 0 40 FDAB COc1cccc(-c2nc(N3CC[C@](O)(C(N)=O)C3)c3ccccc3n2)c1 573601664 SRHLFYYRBCOYLZ-HXUWFJFHSA-N 364.405 1.732 0 40 FDAB COCCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225026995 CXPYAYBSXDFZMU-UHFFFAOYSA-N 370.456 1.414 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 96040139 FGTAWJVQPFDWEM-DLBZAZTESA-N 354.472 1.819 0 40 FDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(C(=O)NC1CCCC1)C2 96251133 PQWYJCBVQWHIGR-DNVCBOLYSA-N 372.473 1.146 0 40 FDAB O=C(CN1CCS(=O)(=O)C[C@@H]1C1CC1)Nc1cccc2nsnc12 580278329 PMXHOVLMXRLHRI-CYBMUJFWSA-N 366.468 1.139 0 40 FDAB CO[C@H]1CCN(C(=O)c2cccn2C)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96217928 JJJFXTWDWXBCQN-UHOSZYNNSA-N 354.454 1.782 0 40 FDAB O=C(Cc1nsc2ccccc12)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 580829375 BETAOHJZGOMCHA-GFCCVEGCSA-N 369.450 1.707 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)Cn1nnc2ccccc21)C1CCOCC1 583620529 LWGURUYNKWWJRO-KRWDZBQOSA-N 354.414 1.449 0 40 FDAB Cc1nc(CC(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cs1 257251166 JPSJRIAUBNJFNF-JTQLQIEISA-N 354.457 1.137 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCCN)C2)c2cnccc2n1 257339813 ZDIHQZLEPYOQRT-HXUWFJFHSA-N 371.485 1.467 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccc(C)c1 257253196 JXXHMHOSUQVRPA-MJGOQNOKSA-N 359.470 1.305 0 40 FDAB COCC(=O)N1CCC(c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)CC1 257227167 FNZIGMXEYXPHIG-UHFFFAOYSA-N 370.409 1.898 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257206094 BBUYXNUWNXXMJW-CQSZACIVSA-N 361.423 1.981 0 40 FDAB COc1ccc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)cc1 641047628 MQTXOXYYFCSAFE-UHFFFAOYSA-N 357.458 1.943 0 40 FDAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccnn2CC2CCC2)C1 1775958267 NJWHQPLTPWEYFL-GJZGRUSLSA-N 358.446 1.392 0 40 FDAB COc1nn(C)cc1C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1 96121647 PQBJEVMGQJAFKB-UHFFFAOYSA-N 366.425 1.995 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3=O)C1 626575747 FWIYXIBQKOCGQD-GFCCVEGCSA-N 365.455 1.609 0 40 FDAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)C1(F)CCC1)C2)N1CCCC1 575405648 TUUZNIXWHOFSAQ-ZDUSSCGKSA-N 356.463 1.604 0 40 FDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCC3)C2)cc1 575406819 UUHKJSKORJGRMO-INIZCTEOSA-N 374.466 1.560 0 40 FDAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccccc2)C1 585286454 ZZAUGWAGNVLGRM-PZJWPPBQSA-N 354.450 1.457 0 40 FDAB O=C(Cn1ncc2c1C[C@H](O)CC2)N1CCN(c2ccccc2F)CC1 682189056 QWJYDUKBNWSUFA-OAHLLOKOSA-N 358.417 1.221 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)O)N(Cc2ccc(-n3ccnc3)cc2)C1 685940338 FBENFKKQHXYLHX-WBVHZDCISA-N 356.426 1.626 0 40 FDAB COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58210917 AJLAYHVLEZGMLI-UHFFFAOYSA-N 368.377 1.397 0 40 FDAB C[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1 38270962 RSIMIXJQLQMYJB-INIZCTEOSA-N 365.499 1.251 0 40 FDAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)ccc1O 12144525 HPQNIXLIWVIYMT-MEDUHNTESA-N 359.382 1.030 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc(-c3ccccc3)no2)c1 16117550 MCJRYXBEOJTLRF-UHFFFAOYSA-N 360.395 1.197 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 17481550 GLJAMAJPYDSFSP-UHFFFAOYSA-N 373.434 1.822 0 40 FDAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)[C@@H]2CCCO2)n1 19585792 SKFMSGWQAIMDHZ-GJZGRUSLSA-N 356.430 1.775 0 40 FDAB C[C@]1(C(=O)NC2CCCC2)CN(CC(=O)Nc2nccs2)CCO1 19747055 GMDUVHMBEWIAJI-MRXNPFEDSA-N 352.460 1.231 0 40 FDAB Cc1cc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)no1 225742299 LLJNNXMJLUYQMB-UHFFFAOYSA-N 366.425 1.867 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)nc1 1888854152 BIFKYSGTRKHFAE-SPYBWZPUSA-N 358.442 1.319 0 40 FDAB CC(C)(C)C(=O)N1C[C@@H]2CN(C3=NS(=O)(=O)c4ccccc43)C[C@H]2C1 1888856888 UDXBIWNDBIQZIO-STQMWFEESA-N 361.467 1.572 0 40 FDAB Cn1ccnc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839966 GUSCPJJAHUJSNU-SFHVURJKSA-N 358.373 1.207 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)cn1 1565546748 JPWDHNWKZHJIOE-OXQOHEQNSA-N 370.453 1.788 0 40 FDAB CCc1c(C)nc(SCC(=O)NCc2ccc3c(c2)OCO3)[nH]c1=O 5021662 HAFRMPMZQSIHPJ-UHFFFAOYSA-N 361.423 1.778 0 40 FDAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NCc1ccco1 12445117 LQMBZDNPPSLWQX-UHFFFAOYSA-N 371.437 1.913 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 13847771 JHAQLBMPVYTCGE-UHFFFAOYSA-N 364.456 1.005 0 40 FDAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cn[nH]c2)C1 2055747270 RMPARPJECZJTHB-SFHVURJKSA-N 361.421 1.368 0 40 FDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)CCc2ccc[nH]2)CC12CCOCC2 2055795847 HQAUZTNKLUHXPX-KRWDZBQOSA-N 359.470 1.729 0 40 FDAB Cc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c(C)c1 22997004 BFYOLLMMWOQYHD-QGZVFWFLSA-N 363.458 1.397 0 40 FDAB Cn1nc(NC(=O)c2cccn(C)c2=O)c2c1NC(=O)C[C@H]2c1ccco1 42380658 GYTMDPOXYOVPCW-NSHDSACASA-N 367.365 1.438 0 40 FDAB O=C1NCCN1C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390832049 WUVURXJNELDBSN-UHFFFAOYSA-N 351.428 1.211 0 40 FDAB O=C([C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1)N1CCOCC1 100816170 KJTZBQSMUCZDMK-OFQRWUPVSA-N 350.440 1.087 0 40 FDAB Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NC[C@@H](C)O)n3)cc2)n1 32106748 WNNVICJVRBHBIC-CYBMUJFWSA-N 355.398 1.709 0 40 FDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1Br 101675786 KVJHSGBIQQTXCJ-SECBINFHSA-N 352.148 1.428 0 40 FDAB O=c1c(NCc2ccco2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101693050 FWJBJYVUFLVLQQ-UHFFFAOYSA-N 355.369 1.953 0 40 FDAB COc1ccccc1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nccn1C 32842438 GPWUFFHXUVIUPC-SWLSCSKDSA-N 363.439 1.069 0 40 FDAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCc1ccco1 32950705 CFPUIFFDUWWNCS-NSHDSACASA-N 366.395 1.513 0 40 FDAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1 1936062 WDKQCCMIGIFXMG-UHFFFAOYSA-N 352.346 1.855 0 40 FDAB CC1(C)C[C@@H](NC(=O)Cn2ccc3c(cnc4ccnn43)c2=O)CCO1 79495305 RYRHFTIXARTVHG-LBPRGKRZSA-N 355.398 1.118 0 40 FDAB Cc1cccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)c1N 7308550 JRLHTFLRYBMTMS-CYBMUJFWSA-N 356.378 1.690 0 40 FDAB COC(=O)C1(NS(=O)(=O)c2ccc3c(c2)OCCO3)CCCCC1 24483404 GJDGJHPFENCMPQ-UHFFFAOYSA-N 355.412 1.612 0 40 FDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2 54810341 FVSGCNFKYBWIRB-LBPRGKRZSA-N 368.455 1.307 0 40 FDAB CNC(=O)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccc1 47917852 PJCWWUQMXNSMNY-INIZCTEOSA-N 353.378 1.111 0 40 FDAB Cc1ccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)CC2)cc1 102609447 PNCDCWBGQYHWQO-MHORFTMASA-N 356.422 1.293 0 40 FDAB O=C(CCNC(=O)c1ccccc1)OCc1nnnn1-c1ccccc1 26458929 XAXIGRIYWTXHFE-UHFFFAOYSA-N 351.366 1.526 0 40 FDAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(CCN1CCCCC1)C2=O 35590373 KSDSQMYZVFASOS-GOSISDBHSA-N 370.453 1.671 0 40 FDAB CN1CCN(CCCCNC(=O)Nc2cccc(-c3nnnn3C)c2)CC1 57881146 MBIMIFNXEXTEOA-UHFFFAOYSA-N 372.477 1.026 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)c1C 44723007 ZTQNRJYQXHJFOZ-LSDHHAIUSA-N 364.467 1.207 0 40 FDAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 58168708 KAASQSYESBEYLG-UHFFFAOYSA-N 372.454 1.481 0 40 FDAB CC(=O)NCCNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 27672085 TUHKCNJUGPCNPK-UHFFFAOYSA-N 355.423 1.862 0 40 FDAB Cc1cc(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)no1 28668118 JLWNRQSZCHDXQO-UHFFFAOYSA-N 364.365 1.977 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 45750583 QMLCMYIGQGLHSJ-LRDDRELGSA-N 359.401 1.448 0 40 FDAB NC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 12865370 APTJCVQJOGFKLZ-UHFFFAOYSA-N 353.426 1.331 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)c2cccc(S(C)(=O)=O)c2)CC1 25246514 BNXZPURTJZINRU-UHFFFAOYSA-N 352.456 1.467 0 40 FDAB COC(=O)c1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 13115379 BEGKIBDGTBOYPY-HOTGVXAUSA-N 370.405 1.431 0 40 FDAB COc1ccc(CNC(=O)Cn2c(CO)nc3ccccc32)cc1OC 5269989 PGXNUJUEBNEUEC-UHFFFAOYSA-N 355.394 1.862 0 40 FDAB CC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 14197983 KCLFKSCTTQNXKC-UHFFFAOYSA-N 369.487 1.355 0 40 FDAB CCCc1nnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 14135002 XBOLZAGIZYIBDL-UHFFFAOYSA-N 351.432 1.684 0 40 FDAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1 6580145 SSBKGRSPKZLDOJ-UHFFFAOYSA-N 358.427 1.905 0 40 FDAB CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1C 5598498 AIJGIFDPTSFPGE-UHFFFAOYSA-N 373.390 1.863 0 40 FDAB COc1ccc(NC(=O)CN(C)Cc2cc(=O)n3ccsc3n2)cc1 6639366 SLOPYVSKGBVYIY-UHFFFAOYSA-N 358.423 1.835 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2nc3ccccc3n2C(F)F)n(C)c1=O 14902419 ICZZEJKIBATJKA-UHFFFAOYSA-N 360.324 1.227 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=O)N[C@]1(O)C(F)(F)F 5952917 HPUAWZDBWNFJTB-OUJBWJOFSA-N 350.268 1.610 0 40 FDAB O=C(OC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 67650844 GHXOCKBEQQPJPX-YESZJQIVSA-N 370.405 1.983 0 40 FDAB C[C@H](C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1)n1cncn1 81118978 QBERPEMZMDALEF-CYBMUJFWSA-N 361.833 1.406 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(Cl)ccc1O 8151844 HGSJHYRBQYFPJF-LBPRGKRZSA-N 357.790 1.906 0 40 FDAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)N1CCNC1=O 8755691 HUKAOXCTSFYXRG-UHFFFAOYSA-N 352.347 1.432 0 40 FDAB Cc1ccc(N2CCN(C(=O)CSc3nnc(C)c(O)n3)CC2)cc1 8717032 XSHXMBGSBKSZNQ-UHFFFAOYSA-N 359.455 1.635 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(F)cc2)C1=O 8755032 RBJAFOYEERMTKS-SFHVURJKSA-N 357.341 1.703 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCCO2 9721418 QOSBUPYBGDNXHW-UHFFFAOYSA-N 367.365 1.229 0 40 FDAB CCOC[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 72992814 DBOHZKLTHHVJQW-ZDUSSCGKSA-N 367.471 1.314 0 40 FDAB COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1 95480250 SOSGZEYDUUBRPD-ZDUSSCGKSA-N 355.398 1.439 0 40 FDAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1nc2ccccc2s1 95943708 MOFZJTOAWXRWGK-UHFFFAOYSA-N 370.481 1.745 0 40 FDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-n3cc(CO)nn3)cc2)c1 95939632 GFIBAWPPBSCACB-UHFFFAOYSA-N 374.378 1.259 0 40 FDAB CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 89802169 CLLUTTCMHCKNNC-UXLLHSPISA-N 361.442 1.039 0 40 FDAB CC(C)OCCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408702368 DZLARHRVMZCXHS-UHFFFAOYSA-N 372.487 1.388 0 40 FDAB Cn1cc(CN2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cn1 306138483 RYSKHXLVUXTLST-UHFFFAOYSA-N 374.452 1.847 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)cc1 72404606 HOTGYGMDHGSUEG-ZDUSSCGKSA-N 372.404 1.475 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9376526 ZWIMIZYOIHEPLD-MDWZMJQESA-N 373.434 1.133 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)Nc2cnn(CC3CC3)c2)[C@H]1c1ccc(F)cc1 72252009 QPKQMXJSBUAURM-QZTJIDSGSA-N 372.400 1.969 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)Cc2ccccc2)s1 36217380 YYENPWRNGQOFTK-UHFFFAOYSA-N 354.457 1.796 0 40 FDAB C[C@H]1Cc2cc(C(=O)NCCO)ccc2N1S(=O)(=O)c1ccccc1 223380028 WVCOBHGNBJGANL-ZDUSSCGKSA-N 360.435 1.549 0 40 FDAB COc1cccc(CCCNS(=O)(=O)c2nnc(NC(C)=O)s2)c1 223343179 TYJISNVMLPRBDM-UHFFFAOYSA-N 370.456 1.416 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccco2)C1 44816255 UDFXTGWEMGYAAW-HIFRSBDPSA-N 356.378 1.584 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c2c(C)nn(C)c2n1 223183450 QWIFIZQRIBXHBF-AWEZNQCLSA-N 357.458 1.962 0 40 FDAB CN(C)c1cnnc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 224309893 FLRYAGNMFUXAFM-UHFFFAOYSA-N 364.453 1.915 0 40 FDAB Cc1cc(CNC(=O)CN(C)C(=O)c2ccccc2F)nc(N(C)C)n1 224234600 VTCDRHAQUYVHQE-UHFFFAOYSA-N 359.405 1.379 0 40 FDAB CN1Cc2ccccc2CC2(CCN(C(=O)c3cnccn3)CC2)C1=O 96161311 SHSHQOBQFUKNGG-UHFFFAOYSA-N 350.422 1.914 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 95869964 JMYLWGRPRLGKKE-RYUDHWBXSA-N 362.492 1.947 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)c1ccccc1O2 96079901 IVTOZSVVNFSOFZ-CQSZACIVSA-N 367.471 1.576 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 95480095 OHIRRQJKPBQQHP-GFCCVEGCSA-N 351.428 1.690 0 40 FDAB CCc1cc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)no1 257206400 BDFPKFFTLPMTGQ-GFCCVEGCSA-N 352.416 1.731 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1 257257603 KQJFWECOQOODCC-FQEVSTJZSA-N 363.502 1.608 0 40 FDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cscc2Br)C1 630413969 SXZIUIKSYBQSDP-ZETCQYMHSA-N 354.247 1.996 0 40 FDAB Nc1cc(N2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)nc(N)n1 82108205 HOCLDQZERZPFHS-UHFFFAOYSA-N 369.425 1.632 0 40 FDAB O=C(N[C@H]1CNc2ccccc2C1)c1cc2n(n1)CC1(CCNCC1)OC2 1775962042 OUSJTKBPCWMTSL-OAHLLOKOSA-N 367.453 1.302 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC(OCC(F)(F)F)C1 390826702 ORMPMYXQFHQXNO-UHFFFAOYSA-N 355.316 1.576 0 40 FDAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)c1C 643322873 ZPOIGIHJZXZDMX-MRXNPFEDSA-N 362.455 1.852 0 40 FDAB O=S1(=O)CCC[C@H](CS(=O)(=O)NC2(Cc3ccccc3)CC2)C1 295136320 LSLZLRCBTMEQRK-HNNXBMFYSA-N 357.497 1.506 0 40 FDAB CCc1cnc(OC2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nc1 1776001823 MXWQAMDMWGTEPC-UHFFFAOYSA-N 365.459 1.313 0 40 FDAB COCCNC(=O)CCNC(=O)NCCc1c[nH]c2cc(F)ccc12 51279890 RAODRQGRPGENLT-UHFFFAOYSA-N 350.394 1.301 0 40 FDAB Nc1cc(-c2cccs2)nn(CC(=O)NCCc2ccccc2)c1=O 12146740 YNVHTOSAPIHKOC-UHFFFAOYSA-N 354.435 1.913 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCn2c(nnc2C2CC2)C1 12158640 MRHNFWFBBGLYCV-CYBMUJFWSA-N 369.400 1.690 0 40 FDAB CC1(C)Oc2ccc(S(=O)(=O)N3CCC[C@@H](CO)C3)cc2NC1=O 12187676 PGPZKSLDAKMXLM-LLVKDONJSA-N 354.428 1.189 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1 15706407 YXOBGMDVLMUGLN-UHFFFAOYSA-N 367.471 1.524 0 40 FDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16638476 ODZYJOYZUVIQAZ-UHFFFAOYSA-N 358.460 1.631 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)NCc1ncc(C(C)(C)C)o1)CC2 152874110 NKVSMSKVNYMFTH-LLVKDONJSA-N 362.434 1.524 0 40 FDAB O=C(CSc1nncn1-c1ccccc1)NC(=O)NCc1ccco1 3452751 FHJRNDJDIPCJFA-UHFFFAOYSA-N 357.395 1.978 0 40 FDAB Cc1cc(Br)cnc1N1CCO[C@H](C(=O)N2CCOCC2)C1 1888849871 DFVVZGBOPXBGEG-ZDUSSCGKSA-N 370.247 1.217 0 40 FDAB N#Cc1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 22382733 LVOAWJMYHRTBNZ-UHFFFAOYSA-N 366.446 1.825 0 40 FDAB Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2COC(=O)C2)nc(CO)n1 1045430118 DJQAGKSYSHIIEZ-MGPQQGTHSA-N 362.430 1.070 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C 13013291 RVFNJTOABDYWSR-GFCCVEGCSA-N 363.277 1.840 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CCC1CCCC1)CCO2 2037984779 NRDHPPPYKDBMLX-IBGZPJMESA-N 352.475 1.822 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2CCn3c(COc4ncccn4)nnc3C2)CC1 1565545471 GVUIFMLRQDMOSH-HDJSIYSDSA-N 356.430 1.816 0 40 FDAB COc1cccc(-n2ccn(CC(=O)Nc3ccc(C)cc3)c(=O)c2=O)c1 10272855 RRMOPEGXVVUYKB-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB Cc1ccccc1COc1cn(CC(=O)N2CCOCC2)c(CO)cc1=O 12231241 OIMTUJIPVRMDJF-UHFFFAOYSA-N 372.421 1.087 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134564 ZFLVKSADBAYBDP-UHFFFAOYSA-N 372.429 1.821 0 40 FDAB COC(=O)[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)C 100761050 FPCMGCJRDLHNDM-HEHGZKQESA-N 363.483 1.340 0 40 FDAB biogenic CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 100566602 NFDQCRCVSWMOAU-UONOGXRCSA-N 366.439 1.341 0 40 FDAB biogenic CC[C@@H](C)N1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773705 YHUCJTRWLMAQNV-BYCMXARLSA-N 356.875 1.953 0 40 FDAB COC(=O)c1cnc(NC(=O)CCn2cnc3c(C)cccc3c2=O)s1 32494737 BDZYPSBFFPQFIT-UHFFFAOYSA-N 372.406 1.977 0 40 FDAB CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCN(CCO)CC1 41097199 BKKJWAWPBDIDKW-UHFFFAOYSA-N 370.515 1.863 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccc(OC(F)F)cc2)c(=O)c1C(N)=O 32859749 RZXUSMXGSFSBTK-UHFFFAOYSA-N 365.336 1.804 0 40 FDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 41427893 NWFOFKPNWZPWIG-UHFFFAOYSA-N 366.370 1.613 0 40 FDAB CCC(C)(C)NC(=O)COC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 78999459 XVZNGXYMKKFNPR-OAHLLOKOSA-N 361.442 1.924 0 40 FDAB COc1cc(CCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)on1 79489356 VRHRIHGERFCQCB-LLVKDONJSA-N 368.415 1.119 0 40 FDAB CC(C)Oc1ncc(C(=O)NCCC(=O)N2CCOCC2)cc1Cl 54233541 ZNWSUEUIQIPPMU-UHFFFAOYSA-N 355.822 1.501 0 40 FDAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 54314076 KKXQBVKOFULOKU-CYBMUJFWSA-N 371.886 1.939 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 37471585 VFOWITKAZFUKAL-LBPRGKRZSA-N 371.890 1.313 0 40 FDAB CN1C(=O)c2ccc(NC(=O)c3nn(C)c(=O)c4ccccc34)cc2C1=O 24020547 APVOQJUQSAGFST-UHFFFAOYSA-N 362.345 1.412 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1C 8709636 FCINYWLKNRCXQM-KRWDZBQOSA-N 368.437 1.638 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108535837 MDJJDCGMFTZOBI-OALUTQOASA-N 352.438 1.521 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 43282591 NNPDHULTAFSKNE-QGZVFWFLSA-N 372.425 1.829 0 40 FDAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 106556315 XUZDFQOSCWWHNP-ABAIWWIYSA-N 366.439 1.175 0 40 FDAB CCn1ccc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)ccc21 58264281 LVCSLRCVFVQVQH-UHFFFAOYSA-N 350.382 1.743 0 40 FDAB O=C(/C=C/c1cccnc1)NCCNS(=O)(=O)c1cccc(Cl)c1 25732036 KIGFRFOTXPKNMO-VOTSOKGWSA-N 365.842 1.843 0 40 FDAB CC(=O)NCCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 26642112 XYSKWTBXZMHRCD-UHFFFAOYSA-N 359.470 1.450 0 40 FDAB CC(C)NC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 107183235 BLQSPCLEKLIZCM-VQIMIIECSA-N 359.474 1.924 0 40 FDAB NC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 12605375 INDXAJYVGRFVME-UHFFFAOYSA-N 352.799 1.851 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1ccc(F)cc1 12621692 NFOYLSIDJCFVGJ-MRXNPFEDSA-N 355.369 1.605 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cn(-c3cccc(OC)c3)nn2)cc1 58178559 RKBOPJQUROHBKK-UHFFFAOYSA-N 374.422 1.763 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2cnc(C)nc2)n1 100737868 DVSGWBHCJAUDJY-IRXDYDNUSA-N 355.442 1.208 0 40 FDAB NC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 2655914 UOSZMRBAHKDLBT-UHFFFAOYSA-N 360.753 1.923 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 12998342 OWHHBLARSFLXLG-MRXNPFEDSA-N 374.418 1.074 0 40 FDAB CC(C)c1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19453314 KXYRYPMMWFNILO-UHFFFAOYSA-N 353.488 1.350 0 40 FDAB CCn1nnc(-c2ccc(O)c(NC(=O)Cc3ccccc3C(=O)O)c2)n1 71286794 GCGKBGGFEAAKQZ-UHFFFAOYSA-N 367.365 1.945 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 6378979 UQAZMXPXHCOMEA-UHFFFAOYSA-N 352.441 1.918 0 40 FDAB C[S@@](=O)c1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1 65554336 DWWGZXADVSJETC-QFIPXVFZSA-N 351.449 1.628 0 40 FDAB Cc1cc(C)nc(NN[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)n1 4738684 XGFAYOBMVGWXHA-CQSZACIVSA-N 359.817 1.991 0 40 FDAB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cn1 5636973 PNJJETYGTPBVKM-UHFFFAOYSA-N 360.395 1.230 0 40 FDAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2cnccn2)CC1 14851247 UJYYNRZPYMPXET-UHFFFAOYSA-N 356.451 1.916 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2C2CC2)n1 9513234 VRPMHNQSDQNOHO-UHFFFAOYSA-N 368.444 1.301 0 40 FDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(CCc3ccccc3)c2=O)c2ccccc21 17028072 MDJHSTDIFATNBT-INIZCTEOSA-N 364.357 1.745 0 40 FDAB CCCNC(=O)c1nnn(-c2cccc3c2CCN(C(=O)NCC)C3)c1C 69819505 PIPVSDRWFDKIIT-UHFFFAOYSA-N 370.457 1.803 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2c[nH]cc(C)c2=O)c1 95469384 GTXRIMFRDLGJSV-UHFFFAOYSA-N 358.350 1.574 0 40 FDAB C[C@@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCC(F)(F)F 72036832 ORKKYRLLEXLGFV-SSDOTTSWSA-N 356.395 1.534 0 40 FDAB C[C@@H](CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)S(N)(=O)=O 95453358 PCUQZQMYJCOOMJ-QMMMGPOBSA-N 361.349 1.646 0 40 FDAB CN(CC(=O)N1CCc2cc(Br)sc2C1)S(C)(=O)=O 89335438 WKWVYXDWVPTGJG-UHFFFAOYSA-N 367.290 1.287 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3cnccc32)c(C)c1OCC(=O)O 546971784 XHTHQZOFZNRMNU-UHFFFAOYSA-N 362.407 1.913 0 40 FDAB Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 524728977 NTHMIGJELLVDOS-GCYOBHRFSA-N 351.406 1.680 0 40 FDAB biogenic O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1c(Cl)cccc1Cl 32689164 AQKFUFIINIPJMG-UHFFFAOYSA-N 356.165 1.885 0 40 FDAB Cc1nc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]c(=O)c1C 72389381 YKUYPLOFSNDYCJ-UHFFFAOYSA-N 362.455 1.652 0 40 FDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(CN)NC(=O)OC(C)(C)C 218654388 DGZCAZJPMKCEAP-GRDNDAEWSA-N 372.462 1.948 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 36182851 XPFBPWVUVIWPAV-UHFFFAOYSA-N 358.401 1.315 0 40 FDAB CCC[C@](C)(NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)OC 40158095 PNANISAXCKKYLJ-KRWDZBQOSA-N 353.394 1.473 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(N2CCOCC2)n1 49411072 PQFPMZNIXAHWEO-UHFFFAOYSA-N 356.426 1.644 0 40 FDAB Cc1nnc2c(N[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)nccn12 572450576 LFQYBGJHUYOJOS-NSHDSACASA-N 360.443 1.856 0 40 FDAB O=C(NC1CC1)c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1 96267419 XCZVPWYRSJKJJO-UHFFFAOYSA-N 362.437 1.948 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cc[nH]n1)C2 96238044 DKXAIMYYXSQZCP-SFHVURJKSA-N 357.389 1.112 0 40 FDAB CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)N1CCOCC1 96113139 WQEGUETXZBJTAE-JKSUJKDBSA-N 365.861 1.450 0 40 FDAB biogenic,in-vitro COc1ncc(Cl)c(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583616878 PZNVOMRYCGXMIU-HNNXBMFYSA-N 352.826 1.799 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccco4)CC3)[C@@H]1CN(C(C)=O)C2 96036268 KFIWWUGQVXXZPO-OXJNMPFZSA-N 373.453 1.507 0 40 FDAB O=c1[nH]c2nc(NC[C@H]3CCCO3)ncc2c(=O)n1Cc1ccccc1F 90591751 SZHXQXGYUODKSR-GFCCVEGCSA-N 371.372 1.258 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96239379 QQNAPEYCFHFWKH-OAHLLOKOSA-N 357.501 1.616 0 40 FDAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 247473955 GNULZXXVZNSVQK-VQIMIIECSA-N 361.417 1.842 0 40 FDAB Cc1ccc(N2CC3(CC[C@H](CNC(=O)c4cccnc4)CO3)C2)nn1 247901540 IUIVSSSZRFZIAF-OAHLLOKOSA-N 353.426 1.595 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC[C@@H](O)C2)Oc2ccccc21 247853334 IGNOGTUSSJKHTN-DUULUZSPSA-N 370.449 1.925 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1noc2c1CCCC2 257213593 CIGAMENIXIXHRX-GOSISDBHSA-N 357.414 1.105 0 40 FDAB CCCn1nc(C)c(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)c1C 257298077 RKADCRNHSGXJCU-SFHVURJKSA-N 358.446 1.071 0 40 FDAB O=C(CNC(=O)c1ccccc1Br)NN=Cc1ccco1 254766457 URIKNCLJEMTJIF-UHFFFAOYSA-N 350.172 1.922 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cnn(C)c2)CC[C@@]1(C)O 604382264 MHXWVQKWEZMFSO-SLFFLAALSA-N 372.469 1.249 0 40 FDAB biogenic,in-vitro O=S(=O)(c1cccs1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257256805 KMZQGAIHXLWALL-LBPRGKRZSA-N 355.441 1.266 0 40 FDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(S(=O)(=O)C3CCCC3)C[C@@H]21 257290729 QEBUQHAEYUXFQH-VNQPRFMTSA-N 350.488 1.896 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)NCc3cn(C)cn3)nc(C)n2)CC1 257291896 QJCLNVFADBQILF-UHFFFAOYSA-N 370.457 1.349 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](Cc3cncc(-c4nccn4C)n3)C2)cn1 257339372 ZBLFPOSBFVKURP-CYBMUJFWSA-N 351.414 1.315 0 40 FDAB O=C1NC[C@@H](COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)O1 24752924 GHQWWZZGTWYDOY-ZDUSSCGKSA-N 368.411 1.126 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ncn1 257298460 RLSOFHBMXVXOHU-MRXNPFEDSA-N 355.394 1.988 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cccc(CN2CCCCC2)c1 644059677 CHDYLIDCSDQZPC-FQEVSTJZSA-N 359.470 1.779 0 40 FDAB O=C(CN1CCCC[C@@H](O)C1=O)NC1CCN(Cc2ccccc2)CC1 644242406 RQXMVFXHIHZCGA-GOSISDBHSA-N 359.470 1.141 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2cccnc2)n[nH]1 585094937 VITSITFHUIQKLB-KRWDZBQOSA-N 352.442 1.990 0 40 FDAB CN(C)C(=O)Cn1cnc(NC(=O)N(C)CCOc2ccccc2F)n1 76094300 KFRSBYQUVGPCNN-UHFFFAOYSA-N 364.381 1.048 0 40 FDAB O=S(=O)(C1CC1)N1CCC(NCc2ccn(-c3ccccc3)n2)CC1 91062679 HAVJDOHXVWQPIE-UHFFFAOYSA-N 360.483 1.919 0 40 FDAB COC(=O)CCCN(C)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 95956186 JMIBZKJPOGONSZ-TYNCELHUSA-N 357.476 1.124 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1cccnc1 1549161471 LHTJVBOTHUFSSQ-IPMKNSEASA-N 369.400 1.397 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(-n3cccn3)cc2)c1 11217680 TYIGJPXYHWFDHJ-UHFFFAOYSA-N 358.423 1.333 0 40 FDAB O=C(C1CC1)N1CCC(O)(Cn2nc(-c3ccccc3)ccc2=O)CC1 13267243 HMQGIICJZCODEM-UHFFFAOYSA-N 353.422 1.674 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2cccnc21 19021608 DWPVZCHFMOURHY-CQSZACIVSA-N 357.458 1.929 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)c2noc3c2C[C@@H](C)CC3)CC1 19287884 FGJISIGCGBRLLD-ZDUSSCGKSA-N 358.442 1.972 0 40 FDAB Cc1cc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n2nc(C)cc2n1 1888890992 NXYSGWMOFYYBQX-UHFFFAOYSA-N 367.457 1.960 0 40 FDAB O=C(c1cccc(F)c1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888908444 ULWHLKZLXGGJMV-KBPBESRZSA-N 352.373 1.472 0 40 FDAB CC(C)(CNC(=O)c1cccc(N2C(=O)CCC2=O)c1)N1CCOCC1 23642335 FGJBBDSFYFKTRQ-UHFFFAOYSA-N 359.426 1.181 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C 13013293 RVFNJTOABDYWSR-LBPRGKRZSA-N 363.277 1.840 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(C(=O)[C@@H]4CCOC4)C3)ccnc12 1565555915 JGFYOFUOLNKCRP-ZIAGYGMSSA-N 371.441 1.174 0 40 FDAB Cc1cccc(F)c1C(=O)N1CCn2c(COc3ncccn3)nnc2C1 1565553421 YGBLLPDGALAIDN-UHFFFAOYSA-N 368.372 1.751 0 40 FDAB COc1nc(NC(C)C)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1075801 DGCPGUJNXQQKOS-OLZOCXBDSA-N 356.430 1.486 0 40 FDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738640 GBPFHCOPQGBQHI-LBPRGKRZSA-N 358.398 1.803 0 40 FDAB O=C(Cc1ccsc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772241 MCTDFYMESRYCCN-UHFFFAOYSA-N 358.467 1.737 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)on2)N2CCOCC2)cc1 23106901 CTURLSABGXJFEZ-INIZCTEOSA-N 372.425 1.420 0 40 FDAB COc1ccc(OC)c2sc(N3CCC[C@H](NS(C)(=O)=O)C3)nc12 872408863 MFNSRSYFGDTZPD-JTQLQIEISA-N 371.484 1.832 0 40 FDAB Cn1cccc1[C@@H](O)CNS(=O)(=O)c1ccccc1Br 77101901 HVVUKCWESRXTDR-LBPRGKRZSA-N 359.245 1.800 0 40 FDAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 30008376 MTQUEZFUALVHEP-UHFFFAOYSA-N 365.499 1.008 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)CC1 40091911 VMRJYHJRZKXQSG-AWEZNQCLSA-N 353.463 1.618 0 40 FDAB O=C(NCc1cccnc1N1CCOCC1)c1cc(-c2ccco2)[nH]n1 30309764 XJAPRQSNRFMOLF-UHFFFAOYSA-N 353.382 1.831 0 40 FDAB CCCC(=O)NCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 40158164 RVULXKSBXNOFDI-UHFFFAOYSA-N 351.403 1.260 0 40 FDAB C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2nc(-c3cccs3)no2)C1 40106280 XZXBXQUPPWNEHG-LLVKDONJSA-N 369.468 1.971 0 40 FDAB O=C(Nc1ccc(Cl)cn1)c1ccc(S(=O)(=O)N2CCOCC2)o1 31885701 KDCQQGDXPQXIPY-UHFFFAOYSA-N 371.802 1.601 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3cn(C)nc3C)=NO[C@H]2C1=O 101343693 HBSIKVMRKLNXKS-DZGCQCFKSA-N 374.784 1.683 0 40 FDAB C[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 32819119 ZDHXUJYYGYYSKM-MELADBBJSA-N 366.421 1.561 0 40 FDAB COc1ccc(-c2csc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@H]43)n2)cc1 32912361 PKYIGPKRBXVHFP-BXUZGUMPSA-N 364.448 1.969 0 40 FDAB CN(C(=S)SCC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1 1107379 SDWNLNMPMNGYQA-UHFFFAOYSA-N 357.545 1.993 0 40 FDAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CCCO1 78725727 YEGLETYFSWOLAY-STQMWFEESA-N 358.316 1.986 0 40 FDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 104088067 DNSPCGVCDOLRML-JUFZMCDQSA-N 368.437 1.974 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231363 RFXJONXPLMXYLV-UHFFFAOYSA-N 366.400 1.759 0 40 FDAB Cc1sc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCOCC1 6679739 MEERIVSXLFABQU-UHFFFAOYSA-N 373.481 1.786 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1[C@H]2CC[C@H]1c1snnc1C2 100214765 MNPKCHSEWINYNS-ZFWWWQNUSA-N 370.482 1.344 0 40 FDAB CN(CCN1CCCCC1=O)Cc1cccc(-c2nc(CN)cc(=O)[nH]2)c1 23431151 UPTAHRHQJLCHPW-UHFFFAOYSA-N 369.469 1.340 0 40 FDAB COc1ccc(OCCOC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102208399 LVTPIRUOMVOFFQ-XYPHTWIQSA-N 373.405 1.957 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 12543332 FDSSKPNHWXQWLN-UHFFFAOYSA-N 366.396 1.884 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2 24995307 VIDJGKOKMLEVPL-INIZCTEOSA-N 364.417 1.946 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 107367689 XYLGRONKQWAZGL-XBFCOCLRSA-N 358.410 1.609 0 40 FDAB O=C(Cc1csc(-c2ccsc2)n1)OCC(=O)N1CCNC1=O 19173710 JGPLSGHVDNAGSZ-UHFFFAOYSA-N 351.409 1.509 0 40 FDAB COc1ccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3208612 WYDDJHGMBYHNAI-UHFFFAOYSA-N 365.480 1.872 0 40 FDAB CCc1cccc2c1N(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)CC2 58224351 ITDUUOHTWTYVIO-UHFFFAOYSA-N 371.418 1.530 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)[C@@H](C)C2)cc1 58244586 DOAAMKSUAYZVLW-AWEZNQCLSA-N 354.410 1.923 0 40 FDAB Cn1c(SCCCN2C(=O)NC(C)(C)C2=O)nnc1C(F)(F)F 48254051 OUYVJUKVYLKSDA-UHFFFAOYSA-N 351.354 1.647 0 40 FDAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 2125010 DSSFOVVFUVYKKD-UHFFFAOYSA-N 358.394 1.513 0 40 FDAB biogenic O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccc(Br)cc1 22809447 ZXKGKYXJKUEQAC-GFCCVEGCSA-N 356.220 1.136 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H]3CCSc4ccccc43)cnc21 11742033 UJWZQDQVBVXXSI-CQSZACIVSA-N 369.450 1.873 0 40 FDAB COc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1 2622499 CLHIVGSFBQURQZ-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3505741 UFRTVSCTMSVHMW-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(C(C)=O)CC1 95479194 DEJUVFBMVMVQKG-HNNXBMFYSA-N 365.503 1.318 0 40 FDAB C[C@]1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 12947315 DLDLNKPDMLMUDJ-KRWDZBQOSA-N 362.407 1.839 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408674269 YWRDALYLVMBENA-HIDABVQQSA-N 358.346 1.535 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(c2ccccc2)CC1 9157864 AFGOXPZLPGYCRD-UHFFFAOYSA-N 370.453 1.590 0 40 FDAB CN(C)c1nc(N)nc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 9112504 FFCVZEVHOVDCJS-UHFFFAOYSA-N 367.196 1.623 0 40 FDAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 14136258 UNXQMKFZSNTEOX-QGZVFWFLSA-N 351.353 1.791 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 14118389 ZLJUJGFXKRHLQZ-LAPQFRIASA-N 355.438 1.884 0 40 FDAB COc1cccc(C(=O)NCC(=O)NC[C@@H](C)CC2(C)OCCO2)c1 96008078 RKLKPBLAPOJVEN-ZDUSSCGKSA-N 350.415 1.330 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4c(c3)NC(=O)CC4)cc21 6670463 VRYZRDLSGHMKBA-UHFFFAOYSA-N 373.390 1.817 0 40 FDAB CC(C)CN(C(=O)COc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 7988910 JCSVJFYQYVLBNL-ZDUSSCGKSA-N 369.439 1.466 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccc1 18181822 UTLGEWKIOHDCSR-UHFFFAOYSA-N 352.438 1.827 0 40 FDAB O=C(CN1CCN(C(=O)C2(O)CCCCC2)CC1)N1CCc2ccccc21 86564674 RSUKILCNKLJAES-UHFFFAOYSA-N 371.481 1.415 0 40 FDAB O=C(NCCN1CCOCC1)N1CCN(c2ccccc2Cl)CC1 26182417 MNIPNIMCPGTCSW-UHFFFAOYSA-N 352.866 1.504 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4nccs4)C[C@H]3S2(=O)=O)cs1 306126885 FIBGUEFFVVZQOF-DGCLKSJQSA-N 370.525 1.554 0 40 FDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217502739 VPYIJJLIHINXOC-WCQYABFASA-N 372.443 1.289 0 40 FDAB O=C(Nc1cccc(C(=O)NC2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1 32090174 CNGOBOXXWSJUNG-HNNXBMFYSA-N 365.455 1.668 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3cnc4[nH]c(O)nc4c3)cn2)CC1 568444921 GIVMFUMVJNBGKL-UHFFFAOYSA-N 353.386 1.063 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)s1 224789317 DYOATGDBPKDWHN-UHFFFAOYSA-N 369.428 1.646 0 40 FDAB O=C(NCCNCCO)c1nc(Cc2c(Cl)cccc2Cl)no1 49545729 DIMLDOXGBLFNHA-UHFFFAOYSA-N 359.213 1.279 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NC[Si](C)(C)c2ccccc2)cc1 195567542 ACMPWVDXZGTZOQ-UHFFFAOYSA-N 362.527 1.479 0 40 FDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225538160 HGYZQUHRTSBGOQ-LLVKDONJSA-N 354.428 1.816 0 40 FDAB CCCS(=O)(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225034 MBTIEHVHBZORIM-INIZCTEOSA-N 366.443 1.371 0 40 FDAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCn3c1nc1ccccc13)CS2 90609553 HVVURAWBOAFTLJ-LBPRGKRZSA-N 367.434 1.670 0 40 FDAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1 96050682 BLSDIRLDACDCHQ-FQEVSTJZSA-N 366.421 1.750 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(C4(C)CCCC4)on3)cnc21 583507073 TXCZXESWHYOVHU-UHFFFAOYSA-N 356.386 1.588 0 40 FDAB Cc1nnc(N2CC[C@@]3(C[C@@H](NC(=O)c4ccncc4)CCO3)C2)s1 96217720 UXNZHPYJHQAWNZ-WMLDXEAASA-N 359.455 1.799 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223294 IFVQMRKVDRINEY-WFASDCNBSA-N 356.423 1.143 0 40 FDAB Cc1ccc(CN2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)o1 96056223 RCOHOPCIPILYPX-QILLFSRXSA-N 356.426 1.645 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2cscn2)C3)nc1 253600336 LBFDTCTYNQEKFH-CYBMUJFWSA-N 359.455 1.975 0 40 FDAB O=C(CCCn1ccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257305584 SQQAENVVYGEJCR-INIZCTEOSA-N 356.417 1.358 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1S(=O)(=O)c1cccs1 257299544 RQLWOHSCUJSBSV-CYBMUJFWSA-N 353.469 1.869 0 40 FDAB Cc1cc(-c2nccs2)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257261719 LINQFDDRHGAFDW-GFCCVEGCSA-N 353.473 1.852 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)s1 257308493 TWXJHDQYGLMIBL-INIZCTEOSA-N 372.494 1.614 0 40 FDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)oc4)CC3)nc2)no1 90558839 CSXVVNFVDJPLOP-UHFFFAOYSA-N 367.365 1.356 0 40 FDAB O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(-c2nc(=O)o[nH]2)c1 614984871 XRYHKIFANZBYDF-OXJNMPFZSA-N 365.389 1.926 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N=c1cc[nH]cc1Br 623085999 RQPYZWLVRKRCHK-VXGBXAGGSA-N 366.219 1.651 0 40 FDAB CC(=O)N1CCN(C(=O)NC2Cc3ccccc3C2)CCC12CCOCC2 1615550237 TZEXPCSBFJZSJF-UHFFFAOYSA-N 371.481 1.967 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cnn(C)n3)C2)c1 606442811 MCIJNBGSBUKGFD-OAHLLOKOSA-N 355.442 1.601 0 40 FDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C 585096454 OFWTXNOYKUUPAF-GFCCVEGCSA-N 362.455 1.814 0 40 FDAB CN(Cc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O 585283007 ANUDIYBVQDQETR-UNMCSNQZSA-N 368.477 1.685 0 40 FDAB Cc1ccccc1-n1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 685942457 QNOPFNWSWHGETQ-DOTOQJQBSA-N 353.382 1.480 0 40 FDAB O=C1NCCCc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)cc21 634552121 RHPUVHUWCBWMKN-UHFFFAOYSA-N 371.416 1.047 0 40 FDAB Cc1ncsc1CN1CC[C@@H](n2cnc3c(N)ncnc32)[C@](C)(O)C1 1615529982 YKHFBIUZAWKLPH-MLGOLLRUSA-N 359.459 1.371 0 40 FDAB O=c1ccc(-c2ccc(Cl)cc2)nn1C1CN(CCn2nccn2)C1 1775973771 OEQXZRVROMBYKS-UHFFFAOYSA-N 356.817 1.712 0 40 FDAB CCOCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 5077990 YEPIFKPCCOQUOE-UHFFFAOYSA-N 353.375 1.415 0 40 FDAB COc1ccc(-c2nc3ncc(C(=O)N4CCOCC4)c(C)n3n2)cc1 14608464 MMQGUVKJHAOMJX-UHFFFAOYSA-N 353.382 1.581 0 40 FDAB C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc2c(c1)OCCO2 18109862 URGJECWJEWVEEU-LBPRGKRZSA-N 356.378 1.813 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)[C@H]2CCCN2c2ncccc21 19570786 AYZJHACSVILFOL-MRXNPFEDSA-N 366.421 1.722 0 40 FDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 226318323 RJTCRJOZAZYLME-STQMWFEESA-N 365.455 1.088 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 4515467 NWQLGJJRKASSGC-ZMZPIMSZSA-N 359.382 1.855 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)cn1 1888897855 OQVLNSDXYIZBHJ-LBPRGKRZSA-N 367.413 1.276 0 40 FDAB CCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]32)cc1 240122691 WHHIIMRGPWDFLO-BPKGMFCQSA-N 354.399 1.200 0 40 FDAB biogenic COCCCN1CCO[C@H]2CN(C(=O)Nc3ccc(F)c(F)c3)C[C@@H]21 2056224037 OYMYRJGXNLZXKD-HOTGVXAUSA-N 355.385 1.918 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3Cc4nc(N5CCCC5)ncc4[C@H]3C2)c1=O 1565544942 VIEQBLPURLWISJ-CJNGLKHVSA-N 365.437 1.187 0 40 FDAB CC1CCC(C(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)CC1 1565552774 XBXBBMYBUZLFDZ-MHVXSEJMSA-N 370.453 1.737 0 40 FDAB O=C(Cc1ccccn1)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055739256 OXXAYDUONPMREP-CQSZACIVSA-N 354.410 1.522 0 40 FDAB CCOCC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1 2055754651 MLJRIOWHLHXPGZ-UHFFFAOYSA-N 363.458 1.259 0 40 FDAB Cc1cc(N2CCN(c3ccc4nnc(C)n4n3)CC2)n2nc(C)cc2n1 1775974925 XLEODKHFGRHVOI-UHFFFAOYSA-N 363.429 1.419 0 40 FDAB CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Br 35346891 SUACRTDOKQPVHS-UHFFFAOYSA-N 363.277 1.784 0 40 FDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CSCCC(=O)N3)nc21 77101339 RMKHIFVTDWVOSB-DTWKUNHWSA-N 369.468 1.296 0 40 FDAB COCc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)oc2ccccc12 40024458 OVAGKFMSDSOKHT-UHFFFAOYSA-N 366.439 1.733 0 40 FDAB CC(C)(C)c1nc(CN2CCN(CCNC(=O)c3ccco3)CC2)no1 40105821 VFITWCWKFDBJAJ-UHFFFAOYSA-N 361.446 1.508 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 32771011 JPQGEXSMQJWCAU-UHFFFAOYSA-N 350.484 1.648 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-n2cnnn2)cc1 21496681 QEEOFRNQMYBXNL-HNNXBMFYSA-N 369.406 1.311 0 40 FDAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 52940656 URIWUVJADRVHIR-SWLSCSKDSA-N 367.471 1.494 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 77649024 JWZOWHMWCOCOHN-UHFFFAOYSA-N 357.332 1.904 0 40 FDAB COc1ccc2nnc(CCC(=O)NCCn3ccc4ccccc43)n2n1 79501141 VPTKMQHYEJQMQY-UHFFFAOYSA-N 364.409 1.837 0 40 FDAB N#CCCn1cc(C=C2C(=O)NC(=S)NC2=O)c(-c2ccccc2)n1 3188023 HTPNVGHYSDIYIJ-UHFFFAOYSA-N 351.391 1.378 0 40 FDAB CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1 4873598 PYAKWYSDMQNYRC-INIZCTEOSA-N 360.437 1.755 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cnc21 104705141 VQBNORJZLPWQMQ-MNXVOIDGSA-N 356.426 1.659 0 40 FDAB Cc1nn(C)c2ncc(C(=O)NS(=O)(=O)N3CCc4ccccc43)cc12 105769410 ZRBPQISNMKYQRF-UHFFFAOYSA-N 371.422 1.314 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)NCCc2cccs2)c1=O 10912272 HJEGYHAFWFHEKX-UHFFFAOYSA-N 373.356 1.386 0 40 FDAB COC(=O)C1(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)CCCCC1 55452646 NQTBHNCQQSKNAA-UHFFFAOYSA-N 367.471 1.725 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 57499482 DSOBWLITHPOBQB-CQSZACIVSA-N 362.401 1.980 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 97379335 NETJRWRCOYCBBV-HUUCEWRRSA-N 365.455 1.162 0 40 FDAB O=C(CN1CCO[C@@H](c2cccc(Br)c2)C1)N1CCOCC1 58179669 FQUKIMHPGVXZDR-OAHLLOKOSA-N 369.259 1.681 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCNC(=O)c1ccc(F)cc1F 58201177 LWBMMEBHFSIPHQ-UHFFFAOYSA-N 372.397 1.023 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 58291351 IHRZRBIGOMIVKD-QGZVFWFLSA-N 367.515 1.426 0 40 FDAB Cn1cccc1C(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 12799949 JSHKGKVXHYMBBE-HNNXBMFYSA-N 369.421 1.890 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc3ccccc3n2)CC1)N1CCCC1 36389602 XNNFQRYWQNQMBX-UHFFFAOYSA-N 352.438 1.615 0 40 FDAB CS(=O)(=O)CCOC(=O)c1cnn2c(-c3cccs3)ccnc12 48331407 MGWOIDDAWRZSDZ-UHFFFAOYSA-N 351.409 1.659 0 40 FDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 2443767 MHXDHWCVSGTLPM-CYBMUJFWSA-N 362.363 1.095 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1nnc2ccccn12 48374439 KZVZZFFJZLZBJQ-GFCCVEGCSA-N 358.423 1.932 0 40 FDAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCc1ccc(F)cc1 8935570 ZYTMBCWHLUZBPG-SNVBAGLBSA-N 364.450 1.597 0 40 FDAB O=S1(=O)C[C@@H](NCCC2CCN(Cc3ccccc3)CC2)[C@@H](O)C1 13725277 JFETWLBYAQPVFG-MSOLQXFVSA-N 352.500 1.036 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 14255162 NQLFSYZNDDGGGI-UHFFFAOYSA-N 362.451 1.884 0 40 FDAB O=C(NCc1cccnc1)c1ccccc1S(=O)(=O)N1CCOCC1 24648254 WQLZIKPNOYIWQT-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB COc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1 4934511 IGPDPIUVOJXUBG-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB aggregator CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)N1CCCCC1 7493835 YFEGHORXAPJICN-UHFFFAOYSA-N 374.485 1.406 0 40 FDAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)NCC(=O)N(C)C 7896858 RSDXCYJNKXTTSH-UHFFFAOYSA-N 370.833 1.555 0 40 FDAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)cc1 8326925 ZQVJFTQZVYPBPV-HXPMCKFVSA-N 359.426 1.605 0 40 FDAB C[C@]12CC=CC[C@H]1C(=O)N(CCN1C(=O)[C@@H]3CC=CC[C@@]3(C)C1=O)C2=O 17143577 IOWPIAKWRDDMBS-WZBLMQSHSA-N 356.422 1.669 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 8594211 BVYIYXIMXCIUEX-SECBINFHSA-N 353.300 1.577 0 40 FDAB Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@@H]2C1 306143761 YLOBRHWSBGTYIZ-NEPJUHHUSA-N 358.471 1.240 0 40 FDAB COCCn1cc(NC(=O)N2CCCN(C(=O)OCC(C)C)CC2)cn1 69946563 UGLHWNWYAGEYQZ-UHFFFAOYSA-N 367.450 1.862 0 40 FDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(O)cc1 70666450 FQFAVSDHBWKNQQ-QGZVFWFLSA-N 367.405 1.582 0 40 FDAB biogenic Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 306131017 JUVFLIXLFJATFW-RBSFLKMASA-N 359.455 1.118 0 40 FDAB C[C@H](CC(=O)O)NS(=O)(=O)c1cccc(I)c1 97022304 NCCWXTQZBDOTEN-SSDOTTSWSA-N 369.180 1.433 0 40 FDAB Cc1cc(NC(=O)CSCC(=O)N2CCN(CC3CC3)CC2)no1 72272940 AIUNVTDFFVITKC-UHFFFAOYSA-N 352.460 1.209 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)c1 25410589 IXOYMMSJIYBWBJ-UONOGXRCSA-N 351.472 1.785 0 40 FDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)nc(O)n1 548350965 ZCIINEIGUNQQDN-RYUDHWBXSA-N 350.419 1.895 0 40 FDAB C[C@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 408497885 KCTHHYZZSWLWRO-JQWIXIFHSA-N 364.423 1.544 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCCC2)cc1 223644051 UKLISXHIJBNELH-UHFFFAOYSA-N 353.488 1.218 0 40 FDAB O=C1CN(C(=O)NCC[C@@H]2COc3ccccc3O2)[C@@H]2CCCC[C@H]2N1 333002250 KWEVZBUTSPVZFI-RBSFLKMASA-N 359.426 1.669 0 40 FDAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 96075698 RLEJWDXWJMOZBN-MAUKXSAKSA-N 350.463 1.010 0 40 FDAB CS(=O)(=O)N1CC2(CCN(C(=O)c3ccno3)CC2)c2ccccc21 96078880 LBMVCZMAIYTLIN-UHFFFAOYSA-N 361.423 1.628 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1CCN(S(=O)(=O)CC(C)C)CC2 96083904 MZRDNSWAXNPJTQ-UHFFFAOYSA-N 368.503 1.008 0 40 FDAB CC1(C)C(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(Cl)cc21 96181606 OMNCYJRRJCUVSH-UHFFFAOYSA-N 365.861 1.413 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN([C@@H]3CCOC3)C2)O1 96160631 FOXYSEKAGOZVIK-NZSAHSFTSA-N 350.459 1.750 0 40 FDAB CC(=O)N1Cc2ccnn2C[C@H](CCNS(=O)(=O)c2ccccc2)C1 247971573 YRUZXMWZCLZEGP-OAHLLOKOSA-N 362.455 1.230 0 40 FDAB COCC(=O)N1CCC(Cc2cc(-c3cncc(C(=O)O)c3)ncn2)CC1 257229740 FZHWIDNIHBZPFT-UHFFFAOYSA-N 370.409 1.664 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 257279379 OGHACSXCXMQFRF-GOSISDBHSA-N 355.442 1.602 0 40 FDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C3CCOCC3)CCN21 253402841 OXKBHXIEOKCVOP-RTWAWAEBSA-N 359.514 1.418 0 40 FDAB biogenic,in-vitro CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1 257222194 DSIKSCVGBYRLEB-HNNXBMFYSA-N 356.474 1.690 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 257238888 HMYXWONGDMIFCJ-ZDUSSCGKSA-N 356.426 1.138 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccccc1F 257235838 GZTIPMIMPQSCDQ-IBGZPJMESA-N 358.417 1.648 0 40 FDAB CN1CCN(Cc2cccc(NC(=O)c3ccc(C(=O)O)cn3)c2)CC1 619583556 YORUFWYMHMGHBR-UHFFFAOYSA-N 354.410 1.780 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@H]1n1cccn1 624133045 GRRJEOKXJBSPOO-CAOSSQGBSA-N 361.446 1.054 0 40 FDAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1nc2ccccc2s1 626192082 VALXXHKIODWNSM-JTQLQIEISA-N 370.456 1.078 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccccc2Br)C1 644030707 NWVMFWWSSGLLPD-OAHLLOKOSA-N 355.232 1.552 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1 653552823 HFDYCHSBAUBCSL-CYBMUJFWSA-N 368.817 1.423 0 40 FDAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cn2)C[C@@H](C)O1 663145596 VDZPKKSFNVMIAU-VXGBXAGGSA-N 359.386 1.229 0 40 FDAB CCc1nn(C)c2n[nH]c(NC(=O)c3cncc(N4CCOCC4)c3)c12 677426766 LDXRWMQYSHPUKI-UHFFFAOYSA-N 355.402 1.343 0 40 FDAB COCc1ccccc1C(=O)N1CC2(CN(C)C[C@@H]2c2n[nH]c(C)n2)C1 1775958326 QZUKKBRJNPGZSY-MRXNPFEDSA-N 355.442 1.431 0 40 FDAB O=S1(=O)CC[C@H](CNC(=S)NCCc2c[nH]c3ccccc23)C1 575421594 KCYBZIKKFAMMTN-GFCCVEGCSA-N 351.497 1.609 0 40 FDAB CCN1C(=O)c2ccc(C(=O)Nc3c(C(=O)O)nn(C)c3C)cc2C1=O 575410849 NGMFEHRMPYGEEQ-UHFFFAOYSA-N 356.338 1.295 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1)[C@H](C)C2 585098749 YXKSZYQUMIOAMD-LLVKDONJSA-N 354.407 1.199 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](O)C2)C3)[nH]1 585103168 FBZCCLZKTVOZCZ-HOTGVXAUSA-N 362.474 1.186 0 40 FDAB Cn1nccc1C(=O)NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 585111809 CDBHYXNAOGUBBO-KRWDZBQOSA-N 364.453 1.994 0 40 FDAB CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)[C@H]1CCNC1=O 1776008859 PNHRIMSYTWSREH-AWEZNQCLSA-N 359.380 1.431 0 40 FDAB CCN(CC)C(=O)CCNC(=O)NCCNC(=O)c1ccccc1Cl 56455387 YTCZZZZAJVZGRW-UHFFFAOYSA-N 368.865 1.628 0 40 FDAB CC(C)N1CCC(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 53134065 PAWCNOVRJGEIMV-QGZVFWFLSA-N 372.513 1.991 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 95959130 NVXUXZQTZVEOSP-ZFWWWQNUSA-N 352.456 1.483 0 40 FDAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 1547139860 YXNBHSFRFDRSLQ-KPWCQOOUSA-N 368.430 1.001 0 40 FDAB O=C(CSc1nnnn1-c1ccc(O)cc1)NCCc1cccs1 5319201 JOEXXBWGGJIQQR-UHFFFAOYSA-N 361.452 1.880 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(=O)C4CC4)C[C@@H]32)cc1 12188314 HGPIGKJQRGVZEZ-PBHICJAKSA-N 364.467 1.717 0 40 FDAB CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532889 MGTYMZXBZTWHCJ-UHFFFAOYSA-N 369.454 1.443 0 40 FDAB NC(=O)CN1CCC[C@H](c2nnc(-c3ccc(N4CCCC4)nc3)o2)C1 19341938 BJOCBTRPYXLYRK-AWEZNQCLSA-N 356.430 1.397 0 40 FDAB CCN1CCN([C@@H](c2ccccc2Cl)c2nnnn2CCOC)CC1 19528070 CRQPFYNGHDRJPM-INIZCTEOSA-N 364.881 1.700 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 100185064 DJQTYOPQIZTKNN-IUVQAAGXSA-N 357.362 1.093 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)NCc1ccco1 10256678 ATZHGAUYIODFFJ-UHFFFAOYSA-N 363.439 1.116 0 40 FDAB O=C([C@@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCSCC1 1888869934 NUGUZEWIAPDUFQ-INIZCTEOSA-N 373.482 1.387 0 40 FDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(c2ccccc2O)CC1 23641442 KQUVZLUYJZBQOS-UHFFFAOYSA-N 358.442 1.726 0 40 FDAB Cc1ocnc1C(=O)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984457 BTJHBXFLPOMZCA-LJQANCHMSA-N 371.393 1.258 0 40 FDAB Cn1cccc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)c1=O 1565543401 PHLSORMWFUPBST-SQNIBIBYSA-N 369.421 1.369 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)cn1 2055746061 GQZOANHQFHIELC-ARFHVFGLSA-N 367.409 1.438 0 40 FDAB Cn1nccc1C(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055745898 NJWDTTHRNXSENZ-LBPRGKRZSA-N 357.414 1.368 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)n1 225500739 AKBKEVCRSLLSAF-IRXDYDNUSA-N 369.421 1.997 0 40 FDAB COC1CCN(C2CN(C(=O)CNC(=O)OCc3ccccc3)C2)CC1 575610242 FZGOPMSECBREGW-UHFFFAOYSA-N 361.442 1.234 0 40 FDAB COC[C@@](C)(CNS(=O)(=O)c1ccccc1Br)OC 575612130 KWGUOOZKVJUFCH-GFCCVEGCSA-N 352.250 1.779 0 40 FDAB O=C(O[C@H]1CCOC1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585396724 ALGYQOTZCZAXDK-WFASDCNBSA-N 357.403 1.913 0 40 FDAB CN(CC1CCOCC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594300 WRMMWEUQVRJNLG-UHFFFAOYSA-N 356.474 1.939 0 40 FDAB COC[C@@H](C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 19456604 VNSADAAVCFNELL-KGLIPLIRSA-N 351.447 1.242 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 67897297 SNFRAZRCZFAGQI-CABCVRRESA-N 358.360 1.763 0 40 FDAB biogenic,in-vitro Cc1noc([C@@H]2CCCN(C(=O)CN3C(=O)CCOc4ccccc43)C2)n1 40156337 OLEMQZFILDTBEL-CQSZACIVSA-N 370.409 1.900 0 40 FDAB CN(C)c1ncccc1CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 40107988 YBIPZXQHUMQSKR-INIZCTEOSA-N 359.474 1.692 0 40 FDAB NC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2c2ccncc2)=NN1c1ccccc1 30614786 BBNFZQIVIDYBPZ-ZWKOTPCHSA-N 363.421 1.865 0 40 FDAB N=c1c2nc(-c3ccccn3)[nH]c(=O)c2[nH]c(=O)n1-c1ccc(Cl)cc1 100936810 XFUDPJDREZDSIY-UHFFFAOYSA-N 366.768 1.597 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 20761886 RQFDUHWQJFYRPF-ZBEGNZNMSA-N 358.398 1.637 0 40 FDAB biogenic O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2ccccc2Cl)CC1 32869001 CFMATJUZMMZELZ-UHFFFAOYSA-N 361.829 1.865 0 40 FDAB COC(=O)[C@@H](C)CN(C)C(=O)c1nc(NC(C)=O)ccc1Br 79046415 GYXDHPBQUWGIKH-QMMMGPOBSA-N 372.219 1.684 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnccn3)CC2)cc1 4889930 QSRPVESYBBOURF-UHFFFAOYSA-N 360.439 1.824 0 40 FDAB C[C@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1 4985913 QSSSKWXJFQBHOD-LBPRGKRZSA-N 373.862 1.445 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1cccnc1Cl 6544308 DXYGDYZFXZJDNW-UHFFFAOYSA-N 372.768 1.627 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 7735414 HMGZCUIYYUHAIJ-GFCCVEGCSA-N 350.440 1.820 0 40 FDAB C[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)NC(N)=O 56187471 BKKJSCIRLDUTFA-LLVKDONJSA-N 357.366 1.990 0 40 FDAB NC(=O)COc1ccccc1C(=O)NCC(=O)N1CCCc2ccccc21 57269818 JMANFQSLQUVMIR-UHFFFAOYSA-N 367.405 1.260 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(F)cc1 57380804 KINHMDRPULEOGD-OAHLLOKOSA-N 358.369 1.854 0 40 FDAB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ccc[n+]([O-])c1 3295692 KYWXLFXUXQDDST-UHFFFAOYSA-N 360.391 1.302 0 40 FDAB CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)Nc2ccccc2)NC(=O)NC1 26930747 XLDUKOOQVFUDQC-MRXNPFEDSA-N 372.425 1.220 0 40 FDAB CCC(CC)NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 10213487 HUGKBFQUZFKQRS-UHFFFAOYSA-N 367.515 1.734 0 40 FDAB COc1cc(OC)nc(NC(=O)COC(=O)c2cc3c(s2)CCC3)n1 10620897 DJDPOXNQJPCXRZ-UHFFFAOYSA-N 363.395 1.840 0 40 FDAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCS(=O)(=O)C1 10994307 ISTBNUAWCLQKJJ-CYBMUJFWSA-N 362.403 1.760 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 3331870 QFEMPIOXDCLFNL-SFHVURJKSA-N 350.422 1.816 0 40 FDAB CNC(=O)CN(C)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 48338528 FVOCNNIZLUIQFX-QGZVFWFLSA-N 367.405 1.447 0 40 FDAB O=C1O[C@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)Cc2ccccc21 46422521 NWGGMDGJHCUOIA-ZBFHGGJFSA-N 352.394 1.343 0 40 FDAB C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2654813 HVSKBKXJAQVORB-CQSZACIVSA-N 373.478 1.444 0 40 FDAB C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)NC1CCCCC1 12805121 RBIVGQMOQNJBNS-ZDUSSCGKSA-N 371.437 1.857 0 40 FDAB CCOC(=O)CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)OCC 12874745 CXJNJJKHSNZRGR-DOMZBBRYSA-N 369.389 1.984 0 40 FDAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 12970147 URRMQHVWSWLIOS-UHFFFAOYSA-N 374.418 1.817 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3)cc2)n1 49545546 BFJNFVNFMCSHCA-UHFFFAOYSA-N 370.800 1.785 0 40 FDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C 4181983 XMRGTCFNMBVSFI-QXGSTGNESA-N 367.401 1.836 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(C)cc3)C2=O)C1 5024041 WNINKRQDASGZTH-GOSISDBHSA-N 357.366 1.168 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2nc(C)cs2)c1C 14123501 CYSGBQURPOAQLV-UHFFFAOYSA-N 351.384 1.979 0 40 FDAB CCn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)cn1 306139336 SUUGOZQEQNUOCW-MRXNPFEDSA-N 372.473 1.048 0 40 FDAB COC(=O)CN1C=C(OC(=O)c2ccco2)c2ccccc2S1(=O)=O 9306414 MMSKDFUARRMBCT-UHFFFAOYSA-N 363.347 1.612 0 40 FDAB Cn1cc(N2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)cn1 80486278 LPFWFSVRBRAJRT-UHFFFAOYSA-N 355.427 1.296 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1CCn1nnc(-c2ccccc2)n1 7737357 MOJDKVJIHVRLCN-UHFFFAOYSA-N 355.379 1.185 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(F)cc1 7921244 AGRSGYGXIJKWPT-UHFFFAOYSA-N 369.396 1.999 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)O)c1 9537205 VTWPRCROZASGKD-AWEZNQCLSA-N 372.418 1.545 0 40 FDAB COc1ccc(C(=O)Nc2cccc(C)n2)cc1S(=O)(=O)N(C)OC 8724701 HHKSZTDTPRPBAM-UHFFFAOYSA-N 365.411 1.833 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2cccc(Cl)c2N)CC1 8704073 JHIBLIYXEFBOKP-UHFFFAOYSA-N 354.790 1.491 0 40 FDAB C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)NCc1ccccc1 18387812 ASAYJAPOKDJISX-SNVBAGLBSA-N 368.436 1.257 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)ccc1F 72314006 INKFVQNESYWGJI-MRXNPFEDSA-N 369.418 1.133 0 40 FDAB CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CSCN2C(C)=O)cn1 95423098 IDBKHEFBQYIZTE-LBPRGKRZSA-N 354.432 1.041 0 40 FDAB Cc1ccc(N(CCC(=O)NCCO)S(=O)(=O)c2ccccc2)cc1 98067204 OCCAHDKUKXBVHI-UHFFFAOYSA-N 362.451 1.689 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 24262800 GGPYTHKFBRHZTE-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB NC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409200497 LZMAWWCSDSRWQT-XNTDXEJSSA-N 351.362 1.644 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1 36353113 FVUYLOWDUWHADY-HNNXBMFYSA-N 371.441 1.143 0 40 FDAB CCOCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217667579 XTAYJODTTDQYPN-LBPRGKRZSA-N 374.459 1.537 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 24984384 QJWCWUDCJWXLQH-HNNXBMFYSA-N 374.485 1.227 0 40 FDAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NC1CCCCC1 72348062 LUILGJASKZPFKZ-UHFFFAOYSA-N 366.425 1.063 0 40 FDAB CN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccc(Cl)cc1 78400976 BKFBDEGFKMAOLV-UHFFFAOYSA-N 359.791 1.561 0 40 FDAB CS(=O)(=O)N[C@H](CC(=O)NCc1cccnc1)c1ccc(F)cc1 225945277 LZILFOWKGIGFNJ-OAHLLOKOSA-N 351.403 1.518 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)nn2)c1 75172593 DMCWXXCTGZOMFK-UHFFFAOYSA-N 361.427 1.701 0 40 FDAB Cc1noc(C2CN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 49482198 IFZFEWPCMDAQHA-UHFFFAOYSA-N 358.217 1.929 0 40 FDAB CCOC(=O)C1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 96182051 OJAMVNZPPBIKPM-UHFFFAOYSA-N 374.397 1.450 0 40 FDAB CN1CCN(C(=O)C[C@H]2C[C@H]3CN(CCc4ccccc4)C[C@H]3O2)CC1 96208112 WDCNKLPNIYQRCO-XUVXKRRUSA-N 357.498 1.483 0 40 FDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 333132351 WZFGCTPZYIZCCG-KZNAEPCWSA-N 370.449 1.937 0 40 FDAB CC[C@@]1(O)CCN(C(=O)C(=O)Nc2c(C)cc(C(=O)OC)cc2Cl)C1 500240532 NTUMDFTYBLWNLL-QGZVFWFLSA-N 368.817 1.747 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(C(=O)c1cccnc1)C2 96046579 FZBQPIJTCHFIKB-UHFFFAOYSA-N 351.410 1.640 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1S(C)(=O)=O 96206526 HOMTZRBLESVZKR-HNNXBMFYSA-N 356.488 1.242 0 40 FDAB Cc1ccc(N2CC3(CC[C@@H](CNC(=O)c4cccnc4)CO3)C2)nn1 247901535 IUIVSSSZRFZIAF-HNNXBMFYSA-N 353.426 1.595 0 40 FDAB CCCn1cc(-c2cnc(C[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257240488 HTSCMYCCTCYCFH-AWEZNQCLSA-N 363.487 1.964 0 40 FDAB C[C@@H]1CCc2ccccc2N1C(=O)CCN=c1ccc(S(N)(=O)=O)c[nH]1 585082526 CTDHIHAQTUJHLC-CYBMUJFWSA-N 374.466 1.321 0 40 FDAB Cc1cccnc1C(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257291113 QFSRFSWXLBPDKB-ROUUACIJSA-N 365.433 1.685 0 40 FDAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCC(N)=O)CCO2)n1 257317372 VJNBOCYOYXTCEN-INIZCTEOSA-N 372.425 1.773 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1Cn1cccn1 25406477 WUSRHPZJOVWGCC-UHFFFAOYSA-N 374.400 1.844 0 40 FDAB CCc1nccn1CCC(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257268846 MNLYGYTXWIVMTE-IBGZPJMESA-N 357.458 1.378 0 40 FDAB CCN(Cc1ccccc1C(=O)O)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257310773 UGMZHDPJYYAZJO-GOSISDBHSA-N 357.414 1.555 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)c3cccnc3N3CCCC3)C[C@@H](C)O2)o1 619287794 RQRAHZRALGZXLI-IUODEOHRSA-N 357.414 1.975 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)N2CCCc3ccccc32)cn1 630651435 SMLROWWHKSRZPE-IRXDYDNUSA-N 354.410 1.822 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCC2 653496472 RXUBKBNHNWTYCH-AWEZNQCLSA-N 362.407 1.381 0 40 FDAB Cc1ncncc1C(=O)N(C)[C@@H]1CCCN(C(=O)COCC(F)F)C1 1615612431 YGTWAOMIANGNPL-GFCCVEGCSA-N 356.373 1.130 0 40 FDAB Nc1ncnc2c1ncn2CCC(=O)N1CCC[C@@H](Oc2ccccc2)C1 668729896 GQOIVVRSSUDTEJ-OAHLLOKOSA-N 366.425 1.869 0 40 FDAB O=C1NC(=O)C2(CCC(C(=O)NCCc3cc(F)ccc3F)CC2)N1 673806992 DSWGGGQASFQNSM-UHFFFAOYSA-N 351.353 1.392 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@H](O)C2)C3)c1 585104883 VUMHVHUNBSNWON-IRXDYDNUSA-N 374.481 1.779 0 40 FDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3O)C2)c1 585277511 VZGKILCSKKTQIF-LJQANCHMSA-N 357.410 1.845 0 40 FDAB O=C(c1ccc2nn[nH]c2c1)N1CC[C@](O)(COc2cccc(F)c2)C1 585275690 GGNITFVBZLLABA-GOSISDBHSA-N 356.357 1.753 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2nncs2)CC1 827913466 LEQOWUNPBKDOIK-UHFFFAOYSA-N 372.406 1.204 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)nn1 56970696 ZKBBAWBRUUSLLU-MRXNPFEDSA-N 361.833 1.901 0 40 FDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NC[C@@H]1CCCO1)C2 85473803 NYFXRPNAVLVGBI-RYUDHWBXSA-N 351.472 1.558 0 40 FDAB Cc1cc(N2C[C@H]3CN(c4nc(C)nc5c4cnn5C)C[C@H]3C2)ncn1 585415251 GFGFVRMKTDTQHF-OKILXGFUSA-N 350.430 1.343 0 40 FDAB COCCN1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)n2nccc21 1772596133 KBUPICNXPQXIAI-UHFFFAOYSA-N 369.425 1.293 0 40 FDAB CN1CCC[C@H](O)[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1 5063940 XLSDHNOBQSFNGE-OALUTQOASA-N 355.434 1.921 0 40 FDAB Cc1cc(C)cc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)c1 11927685 WPZWOSDEMUUSSK-UHFFFAOYSA-N 356.426 1.919 0 40 FDAB O=C(c1ccncc1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142316 ODJFNXSXMSMHKU-UHFFFAOYSA-N 358.423 1.418 0 40 FDAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1 12161326 CKOWBOLQUIOHIA-HNNXBMFYSA-N 370.413 1.985 0 40 FDAB O=C(NCCN1CCOCC1)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565961 YICBSSHNQVJTJU-UHFFFAOYSA-N 350.806 1.635 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1 19237919 OUDLBDZOMHWUNX-CQSZACIVSA-N 368.485 1.670 0 40 FDAB c1coc(-c2nc(NCCN3CCOCC3)ncc2-c2cnccn2)c1 19342418 ONDNYXPTLFZQGO-UHFFFAOYSA-N 352.398 1.938 0 40 FDAB O=C(CCn1cccn1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19344715 CVDFJHLOKCNRMV-LBPRGKRZSA-N 359.411 1.985 0 40 FDAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19448303 QGPHAAMGFHQRSF-QGZVFWFLSA-N 367.453 1.909 0 40 FDAB CCn1nc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 19717036 NXPZRIJQDQTTNT-KRWDZBQOSA-N 372.469 1.503 0 40 FDAB CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)O 12504855 BEACQTJJMSFOKA-SNVBAGLBSA-N 364.217 1.067 0 40 FDAB in-vitro COc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)(C)N1CCCCC1 13030331 KJZPTHKEKZHSDC-UHFFFAOYSA-N 370.471 1.936 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 8546544 KATUDGSASHGCDJ-GOSISDBHSA-N 359.357 1.844 0 40 FDAB O=C(c1nc[nH]n1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888860255 HCGSSRWHRJHFRG-NXEZZACHSA-N 352.320 1.427 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn(C)cn5)C[C@H]4C3)n1)CCC2 1888866317 YDFVTASWTDVEDJ-OKILXGFUSA-N 352.442 1.216 0 40 FDAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCOCC1 20954176 NUHUZWSPKRENBA-UHFFFAOYSA-N 353.466 1.816 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)Cc1ccc(F)cc1)CCO2 2037985540 NFQBBUUHUYDNOJ-IBGZPJMESA-N 364.417 1.233 0 40 FDAB CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2CC1 2056223645 XSJJYXFXHQAELO-CALCHBBNSA-N 351.491 1.062 0 40 FDAB CC(C)CNC(=O)c1cc2c(CNC(=O)[C@@H]3CCOC3)nn(C)c2s1 1614946817 FBABMYPHDGUISZ-LLVKDONJSA-N 364.471 1.673 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(Cc1ccncc1)CC2 1615102420 VARMJEBOLNPLMN-SFHVURJKSA-N 365.499 1.473 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)Cn2c(nnc2C(=O)NC(C)C)CO3)o1 1565554504 TVCVGUJMVOERNA-SFHVURJKSA-N 373.413 1.133 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c(OC)c1 2710800 AWCQXXFGIIXRLS-NXEZZACHSA-N 352.412 1.521 0 40 FDAB CN1CCN([C@@H](CNC(=O)C(=O)NC(C)(C)C)c2ccc(F)cc2)CC1 22783090 OWCKXFSLLHYDCL-INIZCTEOSA-N 364.465 1.145 0 40 FDAB CN(C(=O)c1nc[nH]n1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775973885 JBUJPDJMEOICHW-UHFFFAOYSA-N 371.351 1.501 0 40 FDAB Cc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)no1 206637981 UDTZRFOVXPALKZ-UHFFFAOYSA-N 354.370 1.168 0 40 FDAB O=C(CCC(=O)N1CCOCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 40122147 RMQRSJGONOYJHC-KRWDZBQOSA-N 373.453 1.105 0 40 FDAB COc1ccc(NC(=O)c2ccncc2C(=O)N[C@H](C)C(=O)O)c(OC)c1 20734071 OBYDBUJIPQTTPW-SNVBAGLBSA-N 373.365 1.554 0 40 FDAB NC(=O)CN1CCC(NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 32809318 YRTKZGNDZZOFLA-UHFFFAOYSA-N 360.241 1.438 0 40 FDAB Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O 21638901 HHDVQBOZJCTFEU-SSDOTTSWSA-N 370.818 1.726 0 40 FDAB CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSc2ccc(F)cc2)CC1 32912921 JWUAKCRATORPIK-INIZCTEOSA-N 365.474 1.683 0 40 FDAB Cc1csc(CCNC(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)n1 46942643 JIBBIZWZSJRHGT-SNVBAGLBSA-N 364.393 1.847 0 40 FDAB Cc1ccccc1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 643428 RVHACLRDHTWADV-UHFFFAOYSA-N 369.446 1.902 0 40 FDAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1 3327801 SFSXJSGHHBGQMI-UHFFFAOYSA-N 367.365 1.821 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 22912480 NOVPFLUTAUCBQO-OAHLLOKOSA-N 362.449 1.393 0 40 FDAB Cc1cccc(C)c1OCCOn1nnc2ccc(S(C)(=O)=O)cc21 8939138 RQCRLFTWXNFZMQ-UHFFFAOYSA-N 361.423 1.959 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299786 BYHDCWATJHIPIB-BMFZPTHFSA-N 359.474 1.029 0 40 FDAB biogenic,in-vitro O=C(NCCn1cnc2ccccc2c1=O)[C@H]1COc2ccccc2O1 61718933 NKORZINHDVYXLI-QGZVFWFLSA-N 351.362 1.353 0 40 FDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(OC)c1 1432456 IUCDENRQHWGVAI-UONOGXRCSA-N 364.427 1.926 0 40 FDAB COc1ccc(Nn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)cc1 9290429 RNLGEXCNRIJLMS-UHFFFAOYSA-N 366.425 1.427 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1 25688278 WURDEZHOHVYMCZ-UHFFFAOYSA-N 369.469 1.545 0 40 FDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 12521243 NWHLGCQQSOISDD-UHFFFAOYSA-N 358.416 1.925 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 21732767 WPDOXRZJKWGJQW-SFHVURJKSA-N 371.349 1.472 0 40 FDAB O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1ccc2c(c1)OCCO2 58160216 SKNPRUMERKCQJY-UHFFFAOYSA-N 372.406 1.898 0 40 FDAB CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 58224292 WWUQYFQAYTXOKK-NWDGAFQWSA-N 361.261 1.218 0 40 FDAB Cn1c(SCCNS(=O)(=O)c2ccccc2)nnc1C(F)(F)F 48187350 LJUYUGKQYCYKHS-UHFFFAOYSA-N 366.390 1.905 0 40 FDAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)Nc1cc(C)on1 2380940 NAOYCSLESVQVQG-UHFFFAOYSA-N 370.383 1.517 0 40 FDAB CCN(CC)CCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 11691381 IJCPVNUEQSYBHS-UHFFFAOYSA-N 369.469 1.956 0 40 FDAB C[C@@H](NC(=O)CCCNC(=O)OC(C)(C)C)C(=O)NCc1ccco1 60167202 XBZVJUDLYGOINX-GFCCVEGCSA-N 353.419 1.705 0 40 FDAB CS(=O)(=O)Nc1cc(C(=O)NCC(=O)OCC2CC2)ccc1Cl 60360906 CWAMZYYSQWYGJZ-UHFFFAOYSA-N 360.819 1.395 0 40 FDAB CCOC(=O)CCCNC(=O)CSc1nnc2nc(C)cc(C)n12 3355664 LXFLRAIVKDUBLP-UHFFFAOYSA-N 351.432 1.293 0 40 FDAB Cc1ccc(NC(=O)C[C@@H](NCCN2CCOCC2)C(=O)O)cc1Cl 22458490 ALJAKCVTBQUEAO-OAHLLOKOSA-N 369.849 1.352 0 40 FDAB COc1ccc(OC)c(CN2CCN(C(=O)c3nccnc3N)CC2)c1 48303743 FBZQKDLZIWGWAJ-UHFFFAOYSA-N 357.414 1.034 0 40 FDAB Cc1cc(Br)c(O)c(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 72311594 KMUJNGYXSMGSQQ-UHFFFAOYSA-N 355.192 1.237 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N(C)CC(=O)Nc1cc(C)on1 12939079 VDZDWFAMIPNESZ-UHFFFAOYSA-N 373.412 1.090 0 40 FDAB COC(=O)c1sc2nc(C)n(CC(=O)NC(C)(C)C)c(=O)c2c1C 13009665 KVHKPUHNHGJYHN-UHFFFAOYSA-N 351.428 1.776 0 40 FDAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccccc4)cnc32)cc1 4266466 LZLXOOZFRGVIGD-UHFFFAOYSA-N 374.404 1.983 0 40 FDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc3nsnc3c2)c1C 13721454 GXTOLVNLCDJQEM-UHFFFAOYSA-N 358.427 1.779 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)s1 6234277 SDHSULVOTPMIJU-UHFFFAOYSA-N 358.419 1.919 0 40 FDAB Cc1ccc(-n2c(CCC(=O)OCC(N)=O)nc3ccccc3c2=O)cc1 6205501 PFAWCXAZBDJNGF-UHFFFAOYSA-N 365.389 1.655 0 40 FDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(NC(C)=O)cc1 6347925 FMXRXSGXLQTDHB-UHFFFAOYSA-N 370.361 1.767 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)c(C)c1 4454664 IJGURVOEGJEZLF-UHFFFAOYSA-N 354.472 1.121 0 40 FDAB COCCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 65541457 RGPNNJHLZQYSQJ-CYBMUJFWSA-N 353.850 1.387 0 40 FDAB Cc1nn(C)c2[nH]c(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc(=O)c12 72307030 GZNHAIGFWYMBDS-OAHLLOKOSA-N 371.416 1.742 0 40 FDAB CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 5704470 MDUCIDXMMQIUDY-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB Cc1c(C)n(Cc2ccccn2)c2ncn(CCN3CCOCC3)c(=N)c12 9420549 NOOUDYLPTGWLPI-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB O=C(NCC1(CCO)CCOCC1)c1ccc(OCC(F)(F)F)nc1 84425455 XALNSHHZLJABKO-UHFFFAOYSA-N 362.348 1.932 0 40 FDAB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(NC2CC2)nc1 84425488 HNVRZUHQTURBOZ-HOTGVXAUSA-N 359.426 1.983 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 84583102 PKDBTUPSXOVQMO-QWRGUYRKSA-N 358.316 1.353 0 40 FDAB COc1ccc(S(=O)(=O)c2cnc(-n3nc(C)cc3C)nc2N)cc1 71772099 MZXCCDLQUSCGHY-UHFFFAOYSA-N 359.411 1.703 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc2ccccn12 8528589 GKNVZPGKPHDEOX-AWEZNQCLSA-N 370.434 1.722 0 40 FDAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1 19938192 JEZFWLMCXGMXAU-DAWZGUTISA-N 367.534 1.792 0 40 FDAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1-n1cnnn1 73558124 RJPRTAGKGZHYET-HNNXBMFYSA-N 365.397 1.189 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(OC(C)=O)CC2)cc(C)c1C 89585645 UBAHOZPTMLLQFE-UHFFFAOYSA-N 368.455 1.379 0 40 FDAB O=C1CO[C@H](C(=O)NCCc2nc3c(s2)CCC3)[C@@H](c2ccccc2)N1 1529178556 NLLMXHDAOSGLSB-MSOLQXFVSA-N 371.462 1.547 0 40 FDAB CCc1ccc([C@@H]2COCCN2Cc2nc(CS(C)(=O)=O)no2)o1 75749678 HZQUVMCQRYEORX-LBPRGKRZSA-N 355.416 1.343 0 40 FDAB Cc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218249629 WKBASTRHGPAGMJ-VBQJREDUSA-N 354.472 1.728 0 40 FDAB O=C(O)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)CC1CC1 563261557 HNOGTWDARONFCR-CABCVRRESA-N 351.447 1.531 0 40 FDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc(O)nn1 85467337 ISEBWHAAOFTMLF-AWEZNQCLSA-N 358.373 1.285 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(c2nnc(C3CC3)o2)CC1 44098971 FPDUOHGSIRVNNU-UHFFFAOYSA-N 365.397 1.943 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)c1=O 77100125 WJXBCSQTAQGYDL-UHFFFAOYSA-N 371.372 1.396 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073763 RIRVIUQXAATOPA-BLLLJJGKSA-N 355.435 1.748 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)n(C)n1 583618733 BOCWHHLODSCALA-OAHLLOKOSA-N 358.446 1.933 0 40 FDAB Cn1cc(C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)cn1 96106792 JFFLADLKYFJFTP-KRWDZBQOSA-N 356.426 1.796 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)O1 96057560 SYPWMQZBFZBXBQ-BZUAXINKSA-N 356.382 1.148 0 40 FDAB O=C(NC[C@@H]1CCC2(CN(Cc3ccccn3)C2)OC1)c1cccnc1 247460644 AQUQNKMLEHJZLE-INIZCTEOSA-N 352.438 1.888 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@H]2c2cccc(CN3CCOCC3)n2)n1 257259085 KWTQOUHXEZQBQK-SFHVURJKSA-N 355.442 1.625 0 40 FDAB COc1ccccc1Cc1cncc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 257211613 BZNJMZQAFBXADB-IBGZPJMESA-N 374.462 1.988 0 40 FDAB CNC(=O)CC1(CNC(=O)CNC(=O)c2ccccc2C)CCCCC1 620092516 LREXQRPUVGXUBW-UHFFFAOYSA-N 359.470 1.928 0 40 FDAB O=C1N[C@]2(C(=O)N[C@@H]3C[C@]4(CCOC4)Oc4ccccc43)C[C@H]3C[C@H]1[C@H]2C3 1121226529 POKZXEWNURHTRJ-XWHVZDEMSA-N 368.433 1.700 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(F)cc(Br)c2)C1 643997402 HIVQDDBPXHJKQI-AWEZNQCLSA-N 359.195 1.431 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1 648048896 CRFSWEPTUBTKJT-HNNXBMFYSA-N 374.359 1.839 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCCN3C(C)=O)CC2)cc1 77504247 JAKHWTJTAHJKAU-GOSISDBHSA-N 373.453 1.381 0 40 FDAB Cc1nccn1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287885 GPTVJGYVFFVNNE-NLWGTHIKSA-N 355.438 1.728 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3ccccn3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585097673 MJJOJUOQTLDLQK-KEYYUXOJSA-N 367.453 1.696 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2coc3cc(F)ccc23)C1 685941892 CUXXRFKPLIOZAP-FIXISWKDSA-N 358.373 1.985 0 40 FDAB Nc1nccnc1C(=O)N1CCN(c2ccc(Br)cn2)CC1 36391556 YYQFLADJFFBKIW-UHFFFAOYSA-N 363.219 1.179 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CNC1 90289252 YMAIMUBCJRLQJB-UHFFFAOYSA-N 355.641 1.361 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691755 GDGFRDSVSUXHNL-SUNKGSAMSA-N 362.373 1.944 0 40 FDAB C[C@H]1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)C[C@@H](C)O1 12417912 JNTXCEKLJNFOJF-PHIMTYICSA-N 356.386 1.304 0 40 FDAB Cc1cccc(CC(=O)N[C@H](C)c2cc(=O)[nH]c(N3CCN(C)CC3)n2)c1 19234823 KIRHPWAYJKCXOJ-OAHLLOKOSA-N 369.469 1.250 0 40 FDAB CN1CCC(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)CC1 19696493 GTYFZRVSBPTFHU-UHFFFAOYSA-N 367.453 1.243 0 40 FDAB COCCNc1ccc2c(c1)CN1CCC[C@H]1C(=O)NCCOCCO2 643572854 JUNIGWACPGTGDT-KRWDZBQOSA-N 363.458 1.235 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 643585954 HQBINAGXLGOTAC-JNAXZKDPSA-N 353.422 1.658 0 40 FDAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)O 16899687 JZIWFGRTZHUIMN-OLZOCXBDSA-N 364.423 1.258 0 40 FDAB COCc1cn([C@@H]2CCN(C(=O)c3ccc(Br)o3)C2)nn1 585149690 QGBDFFDZYRWRCW-SNVBAGLBSA-N 355.192 1.867 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@H]3C2)n1 1888843217 FFJFKNOISAYRJV-QWRGUYRKSA-N 366.347 1.867 0 40 FDAB C[C@H](OC(=O)c1cccn1C)C(=O)N1CCN(Cc2ccccc2)CC1 23486138 FNMMWWYBUIEOOG-INIZCTEOSA-N 355.438 1.915 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccncc3)CC1)C2=O 23641282 VBNYDCDDJKBYGP-HNAYVOBHSA-N 357.458 1.662 0 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O=c1ccc(-c2ccccc2)nn1C1CN(S(=O)(=O)c2cccnc2)C1 1775972656 PXSDMDQTKUOHEA-UHFFFAOYSA-N 368.418 1.551 0 40 FDAB Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(F)c4)CC3)nn12 1775970555 FSPANBXLLQYVIA-UHFFFAOYSA-N 355.377 1.319 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618478 WBSVSOHTVVIIPN-ZDUSSCGKSA-N 367.409 1.616 0 40 FDAB COc1ccc([C@H](O)CNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC 211089460 SVRBFMQYDLTZQN-CZUORRHYSA-N 372.421 1.731 0 40 FDAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 12231122 WAULQTARTVAMMD-MRXNPFEDSA-N 356.401 1.941 0 40 FDAB O=C(NCCCN1CCCC1=O)C1CCN(C(=O)c2ccsc2)CC1 40068063 HGBVWMQJRMGQRE-UHFFFAOYSA-N 363.483 1.729 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)Cn2ncc3ccccc3c2=O)cc1 30530980 PLGOBRFBJMYCMG-MRXNPFEDSA-N 353.378 1.795 0 40 FDAB O=C(CNC(=O)Nc1ccccc1)NCCc1ccc2c(c1)OCCO2 31353572 DDDROSQGAZSXRI-UHFFFAOYSA-N 355.394 1.938 0 40 FDAB CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 32103640 DXFWDHIBKYQHDE-QGZVFWFLSA-N 365.433 1.814 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)cc(OC)c1 20763223 OEFMJQSWMBONMK-KRWDZBQOSA-N 374.397 1.257 0 40 FDAB biogenic Cc1ocnc1C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 102327874 NNABQTPVPYDUOD-UHFFFAOYSA-N 352.398 1.466 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1Cc2ccccc2O1 32883028 LSSLGKXKERFFLT-OAHLLOKOSA-N 357.410 1.361 0 40 FDAB COC(=O)c1cc(CNS(=O)(=O)N2CCCCCC2)ccc1OC 32895501 CGIZLROHYLSJQU-UHFFFAOYSA-N 356.444 1.692 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)CC(=O)NCCOC)c1C 21672698 MFYGDOSTJZSELS-CYBMUJFWSA-N 367.446 1.074 0 40 FDAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(S(N)(=O)=O)cc1 33047842 DCRUDWNLHDEZHN-XZHRJIJLSA-N 366.464 1.985 0 40 FDAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 46714674 XVSJLFAGGDEUMR-OAHLLOKOSA-N 370.453 1.085 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 78806272 NLVQQLUURFTXGY-UHFFFAOYSA-N 356.400 1.225 0 40 FDAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 3032784 RSJLQTBRKBSMRX-QGZVFWFLSA-N 362.426 1.994 0 40 FDAB CCn1c(S)nc2cc(C(=O)N[C@@](C)(CC)C(=O)OC)ccc2c1=O 104111593 VYVZMNODQUMNAW-KRWDZBQOSA-N 363.439 1.777 0 40 FDAB COc1ccc(CNC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1 72493688 ODRXLPKODNUTGU-UHFFFAOYSA-N 355.438 1.906 0 40 FDAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21 106171002 RKSAACQWHMFBME-LZWOXQAQSA-N 372.469 1.835 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1 3266943 ILGGNNZCJPQXGL-UHFFFAOYSA-N 370.405 1.327 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c1 58218945 HLWSFLBBKGXJOU-KBXCAEBGSA-N 363.435 1.511 0 40 FDAB CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2nc(C)no2)CC1 106763692 VJXYGUCXXRSRFC-OAHLLOKOSA-N 363.462 1.203 0 40 FDAB COC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)=O)c(OC)c2)C1=O 106758144 HVUVOCSXHMKMAG-QPEQYQDCSA-N 365.363 1.830 0 40 FDAB CCS(=O)(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 108530685 CFNHNUQKPFJZRS-UHFFFAOYSA-N 351.472 1.636 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 27266115 LPZUJFVNYGSFDL-KZULUSFZSA-N 368.393 1.185 0 40 FDAB CCC[C@@H]1NC(=O)N(C[C@H](O)COc2cccc(C(=O)OCC)c2)C1=O 12770062 GVCOAEXMUONRCM-ZFWWWQNUSA-N 364.398 1.324 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C)CN1CCC[C@H](C)C1 97166165 WGDWOOCHMHXBGB-KBPBESRZSA-N 356.536 1.944 0 40 FDAB CCN(CC)C(=O)CNC(=O)NCCNc1ncccc1C(F)(F)F 58209760 PWQXEQJPDCRXOH-UHFFFAOYSA-N 361.368 1.680 0 40 FDAB COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420377 YENWSLMVIZNSGK-YGTYGHESSA-N 360.410 1.138 0 40 FDAB CN(CCCNC(=O)Cc1cccc(C(F)(F)F)c1)S(C)(=O)=O 48331494 WCPMZQWXKJLYAI-UHFFFAOYSA-N 352.378 1.646 0 40 FDAB O=c1nc2s/c(=C\c3ccccc3)c(=O)n2nc1Cc1ccc(F)cc1 2349197 ISTCGUGUGDEDIO-WJDWOHSUSA-N 365.389 1.789 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F 36569615 CTYQEPHJTZPJOL-PSLIRLAXSA-N 364.352 1.907 0 40 FDAB COc1cc(C(=O)OCC(=O)NC(=O)NC(C)C)ccc1OC(F)F 3489651 CKATWNUVEXPKGU-UHFFFAOYSA-N 360.313 1.688 0 40 FDAB NC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 29893160 RQLRIHMVCKWYCT-CYBMUJFWSA-N 355.398 1.196 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O 3527649 HIGGQIUJGKHQCD-IBGZPJMESA-N 372.425 1.612 0 40 FDAB O=C(CCNC(=O)NCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12973275 BORHOJYAPRWAEV-UHFFFAOYSA-N 353.382 1.684 0 40 FDAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1 13069503 FOXCTURSGRWAGE-UHFFFAOYSA-N 359.817 1.209 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NCc1ccco1 6005167 FONCARJGSNQHEE-UHFFFAOYSA-N 351.380 1.465 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(C)c(C)c2)NC(=O)N[C@H]1C 6165334 FHHCPYYRSFFXSZ-ZDUSSCGKSA-N 360.410 1.908 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)c(F)c1 5166063 AMPBWFXLADZGRT-UHFFFAOYSA-N 359.288 1.997 0 40 FDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nncn1C 14093385 STFAYANEKCDVLO-UHFFFAOYSA-N 350.444 1.973 0 40 FDAB CN(C)Cc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1 14183590 YPYPVGMNESZELR-UHFFFAOYSA-N 354.458 1.570 0 40 FDAB Cc1csc(=O)n1CCCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14190355 PRFSHXCSMYSPQQ-UHFFFAOYSA-N 372.450 1.894 0 40 FDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc2c(c1)OCCCO2 14161998 BDSSMCZBHLLFIP-UHFFFAOYSA-N 372.377 1.973 0 40 FDAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 62159705 DFIQXGTYFHMWCL-UHFFFAOYSA-N 362.426 1.415 0 40 FDAB COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(OC)cc1 72265513 WFHKTIKDIYQXIJ-UHFFFAOYSA-N 358.398 1.721 0 40 FDAB Cn1c(COC(=O)c2ccccc2NCc2ccco2)cc(=O)n(C)c1=O 9367781 KLHJAHCBBQLCFI-UHFFFAOYSA-N 369.377 1.646 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 9378806 LBCUHDGSSWNEAQ-GOSISDBHSA-N 367.413 1.726 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 9454214 DALBZRBRSCWMOJ-HOCLYGCPSA-N 374.393 1.580 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N(Cc1ccccc1F)C1CC1 8156896 NMWWILRBGRWHCK-UHFFFAOYSA-N 367.384 1.759 0 40 FDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCC(=O)N(Cc3ccccn3)[C@@H]2C1 67897517 RCIZLPHOGPWNNQ-SJORKVTESA-N 355.369 1.473 0 40 FDAB biogenic,in-vitro COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCNC(=O)c2ccncc2)C1 95983678 HTUSXPGRSXZWEJ-HNNXBMFYSA-N 361.442 1.639 0 40 FDAB CC[C@@H](C(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1)N1CCCC1=O 172738189 IBGOJVGYMYGNBR-SFHVURJKSA-N 371.481 1.609 0 40 FDAB O=C(O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cnc(C2CC2)s1 1548453720 VTUNWKPCKWWIPI-GFCCVEGCSA-N 368.436 1.700 0 40 FDAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)ccc1Cl 23042484 JSSFHBBPNNWNKR-JTQLQIEISA-N 374.846 1.737 0 40 FDAB CNC(=O)c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cn1 506389188 PZTACLOXLJYAEW-HNNXBMFYSA-N 350.382 1.273 0 40 FDAB O=C(CCn1ccnn1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O 32908091 QKOJKNOYIBFGGE-OWBHPGMISA-N 371.422 1.521 0 40 FDAB CCCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)NC(C)C)nc12 65305333 NLCRLABUODZBHB-UHFFFAOYSA-N 363.443 1.197 0 40 FDAB CN1C(=O)CO[C@@H](C(=O)Nc2cnn(CC3CC3)c2)[C@@H]1c1ccc(F)cc1 72252010 QPKQMXJSBUAURM-ZWKOTPCHSA-N 372.400 1.969 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)[C@H]1C[C@H]2C=C[C@@H]1C21CC1 72341060 ZYHGBFXNNVTIAA-AGIUHOORSA-N 357.439 1.209 0 40 FDAB COc1cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)nc(C)n1 48985267 KEUWQYCYTMXSGW-UHFFFAOYSA-N 366.425 1.492 0 40 FDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccccc2Cl)c1=O 222663943 CPEWOWOMFVWNFJ-UHFFFAOYSA-N 351.790 1.719 0 40 FDAB CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)c1 85470914 TXFBENSRKHYUPJ-UHFFFAOYSA-N 369.425 1.594 0 40 FDAB COc1nccnc1O[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 225495426 ZNLZLXMWCSIHQY-AWEZNQCLSA-N 371.393 1.826 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NCCn1nc(-c2ccco2)ccc1=O 49026475 KEIXAXGQNDLKLN-UHFFFAOYSA-N 369.425 1.603 0 40 FDAB COc1c(CN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)c(C)nn1C 583617610 LOMRHNGJPHUWFZ-OCCSQVGLSA-N 357.418 1.137 0 40 FDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228839 HXDKRCFJYRBHTL-NRFANRHFSA-N 359.514 1.732 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccoc1C)CC2 248024370 NEMADHCMMJEYEI-CQSZACIVSA-N 370.471 1.348 0 40 FDAB CN(C)S(=O)(=O)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 257278434 OCGJSNVPYDKJSH-UHFFFAOYSA-N 362.459 1.601 0 40 FDAB Cc1cccnc1CN1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257242468 ICRSXEPIVUHXOR-RDTXWAMCSA-N 353.430 1.310 0 40 FDAB O=C(COc1ccccc1)NCC(=O)Nc1cccc(-n2cnnc2)c1 24703930 PAOABPRGTQENAO-UHFFFAOYSA-N 351.366 1.401 0 40 FDAB CCOc1ncccc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257328041 XDVXDZBNEIWXFI-HNNXBMFYSA-N 356.426 1.931 0 40 FDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cnc(N(C)C)nc2)n1 257203499 AQIVOZAHNCAQMH-HNNXBMFYSA-N 355.446 1.372 0 40 FDAB Cc1cccnc1[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C 265189223 OEHXWFZDVVVKEM-LSDHHAIUSA-N 368.503 1.810 0 40 FDAB CC(C)Oc1cc(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccn1 269926686 HPEQDGWBYGRLGJ-CQSZACIVSA-N 370.475 1.092 0 40 FDAB Cc1cnn(CC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 673996000 WTBFQXNUMJUIFS-UHFFFAOYSA-N 358.417 1.634 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(Cl)cc1Cl 25033357 URYICTDKELAHBO-LBPRGKRZSA-N 359.209 1.426 0 40 FDAB COc1nn(C)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 96121713 LCYOPALNWUGJSI-UHFFFAOYSA-N 366.425 1.995 0 40 FDAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2cccnc2[nH]1 613850138 MQDJZWGIDRJBTR-IUODEOHRSA-N 354.414 1.958 0 40 FDAB Cn1cncc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 630141304 PFZBFXVNVFYCKD-CQSZACIVSA-N 356.382 1.752 0 40 FDAB COc1ccc(-c2ccncc2)cc1CN1CCC[C@](O)(CC(N)=O)C1 643746498 NWLOLLMYGKFDMR-FQEVSTJZSA-N 355.438 1.960 0 40 FDAB Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cccc2c1CCNC2 662732715 NREDXXDFQOUDJL-UHFFFAOYSA-N 365.437 1.866 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)n1 575402808 CUHJWUKIRVTQBU-OAHLLOKOSA-N 372.425 1.377 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@H]21 585109581 XKEBLQMDISPTPI-HBFSDRIKSA-N 372.465 1.388 0 40 FDAB CC1CC(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN3CCCC3)C2)C1 585110834 MALJNGHYOYFLHL-UYSNPLJNSA-N 361.490 1.399 0 40 FDAB Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNc2cccc(C(F)(F)F)n2)C1 685940534 CPPCYBDTJIWKCG-IVZWLZJFSA-N 357.336 1.901 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cncc(C(F)(F)F)c2)C1 685941614 ZSCKIXYJDCMHNT-KWQFWETISA-N 359.304 1.152 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc2c(c1)CCC2 56009199 BHYBQEIIEKRXHP-MRXNPFEDSA-N 352.456 1.094 0 40 FDAB O=C(CN1CCCC1=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 12187043 DTZFKEFWMMIEKN-UHFFFAOYSA-N 355.398 1.460 0 40 FDAB CCOCc1nnc(NC(=O)Cn2cnc3sc(C)cc3c2=O)s1 12202158 HORPNHIBZYHSMK-UHFFFAOYSA-N 365.440 1.793 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)nc2)cc1OC 14100868 SVWRABRIBBUCTC-UHFFFAOYSA-N 374.422 1.763 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCOc2ccccc21 14160372 SZTPLYOCSGBYAS-AWEZNQCLSA-N 354.362 1.785 0 40 FDAB CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)cc1 14406023 ZZEPSABZBMFEFN-UHFFFAOYSA-N 350.382 1.980 0 40 FDAB Cc1cccnc1CN1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 19237809 QPUNKPYYBHCXEJ-UHFFFAOYSA-N 369.421 1.842 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19238326 QYPDWYIMJBWIKC-AWEZNQCLSA-N 370.457 1.400 0 40 FDAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)n1 19290848 IHPPSNGBHMCKER-NYTJIUQPSA-N 365.437 1.968 0 40 FDAB NC(=O)C1CCN([C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 19292948 IHEWOUYADHSDHH-IAGOWNOFSA-N 353.413 1.097 0 40 FDAB O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc2nnc(O)n2c1 538927695 OWVJDKDJMSOIJQ-LBPRGKRZSA-N 366.299 1.917 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238811219 AIZIECPDKXQNDH-ILXRZTDVSA-N 361.423 1.214 0 40 FDAB Cc1ccc2nc(COC(=O)CNC(=O)c3cccs3)cc(=O)n2c1 5191465 LWAFCRFQFOLJAK-UHFFFAOYSA-N 357.391 1.538 0 40 FDAB c1cnn(-c2cc(N3CCN(c4ncnc5cnccc45)CC3)ncn2)c1 1889212088 VOSIERKWVYQNMS-UHFFFAOYSA-N 359.397 1.327 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCCCCc1ccccc1 21620408 ZXTQVSHOODQQGI-GOSISDBHSA-N 361.467 1.553 0 40 FDAB O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Br)cn1 13320074 FKAATFREGCZWNM-UHFFFAOYSA-N 356.220 1.622 0 40 FDAB CN(C)CCCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037841196 ZTSKILNBQQFNMB-UHFFFAOYSA-N 359.470 1.753 0 40 FDAB CNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 4519561 QCPPNZGNRJRHDR-CQSZACIVSA-N 366.464 1.434 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(F)cc1 9571219 KGELFDYDXALDGU-UHFFFAOYSA-N 369.328 1.558 0 40 FDAB Cn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 9661321 WOXLBITXFNPBIJ-AWEZNQCLSA-N 352.394 1.585 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)cc1 18105462 GIUXVCIBPDRXDR-GOSISDBHSA-N 369.396 1.985 0 40 FDAB CNC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O 22577713 RZCRBAHAQJAXBF-UHFFFAOYSA-N 371.437 1.082 0 40 FDAB Cn1c(CN2CCN(CC(=O)NCc3ccco3)CC2)nc2ccccc21 42380854 PEFFVWVIFLAXBJ-UHFFFAOYSA-N 367.453 1.600 0 40 FDAB CC(C)Cn1c(=O)c2nscc2n(CC(=O)NC2CCCC2)c1=O 49403827 HOJZZJAIONDAQG-UHFFFAOYSA-N 350.444 1.335 0 40 FDAB Cc1nccc(-c2ccc(-c3noc(CN[C@@H]4CCOC4=O)n3)cc2)n1 72339989 SKXYEZATKAAMCP-OAHLLOKOSA-N 351.366 1.907 0 40 FDAB CC(C)(C)OC(=O)NN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4047056 VUWLDCQLFRPKFB-HNNXBMFYSA-N 370.409 1.703 0 40 FDAB biogenic O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)NC[C@@H]1CCCO1 30970852 WZIBOGXXGLWJAA-INIZCTEOSA-N 369.868 1.892 0 40 FDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc(Br)c1O 101675418 IZCQFBJCYHBBGM-VIFPVBQESA-N 367.159 1.738 0 40 FDAB CCN(CC)CCCNc1c(N2CCN(c3ccccc3)CC2)c(=O)c1=O 101695011 WZCYABIUGMNSRO-UHFFFAOYSA-N 370.497 1.753 0 40 FDAB COC(=O)c1cc(CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)oc1C 24279413 KBVFSFNDRMAUNP-UHFFFAOYSA-N 369.377 1.812 0 40 FDAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccn2)n1 76588197 LWNNUQWXEITFGM-QGZVFWFLSA-N 370.501 1.755 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)OC)c2)C1 24259145 JHYNTOFXFAYLEW-CYBMUJFWSA-N 355.412 1.437 0 40 FDAB Cn1nc(C(=O)NN2CCOCC2)c(Br)c1C(F)(F)F 2770847 BOGWKCIQCWCMPX-UHFFFAOYSA-N 357.130 1.178 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 47024107 NAPSOVSBCGZHPW-UHFFFAOYSA-N 359.426 1.663 0 40 FDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 79481001 CPGYYQDUZIVCDB-CYBMUJFWSA-N 372.450 1.345 0 40 FDAB CCOC(=O)CNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccco1 2954958 GBPCDJQTRAPNRX-UVTDQMKNSA-N 360.341 1.869 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1-n1cnnn1 12407197 IOVPMJIJEPVPLD-HNNXBMFYSA-N 369.356 1.316 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2[nH]c1=O 23371871 CXKPIGMVSRFXHP-UHFFFAOYSA-N 368.374 1.565 0 40 FDAB Cc1nc(COc2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cs1 54482633 LHZVPIPUJYFHEO-UHFFFAOYSA-N 374.466 1.274 0 40 FDAB Cc1cc(NCc2cc(=O)n3c(C)csc3n2)ccc1-n1cnnn1 12527664 BWHWXIBESAXELN-UHFFFAOYSA-N 353.411 1.961 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1OC 34870114 NQGCYEGFJGEBJO-MGPQQGTHSA-N 362.426 1.693 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](C)N2CCN(c3cnccn3)CC2)cc1 43754449 XDHJUFYIQAWSCT-MRXNPFEDSA-N 369.469 1.355 0 40 FDAB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 26771764 RZJXEISZQFKAGA-OSSFJEMISA-N 362.514 1.909 0 40 FDAB biogenic CNC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 103038261 ZIYXDQCJKYWMLA-HUUCEWRRSA-N 355.394 1.326 0 40 FDAB C[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCS(=O)(=O)C1 10030549 QSUJWLZRBIIFBQ-XHDPSFHLSA-N 356.469 1.046 0 40 FDAB Clc1cnc(N2CCN(c3cncc4nnnn34)CC2)c(Cl)c1 58165992 JEBIXQHUSUTNTD-UHFFFAOYSA-N 351.201 1.548 0 40 FDAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 29508516 OVWNLRJNNJJWPL-UHFFFAOYSA-N 350.396 1.912 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)NCCc2nccn2C(F)F)c1 58244197 QFLSQEYRQGROEA-UHFFFAOYSA-N 362.344 1.833 0 40 FDAB CCSCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58208608 FDMSXRMWNBOSDI-UHFFFAOYSA-N 350.488 1.380 0 40 FDAB O=C1C[C@@H](C(=O)N2CCCn3nccc32)CN1c1ccc2c(c1)OCO2 58434427 CBECVSSOEWOCNN-GFCCVEGCSA-N 354.366 1.402 0 40 FDAB COc1cccc(C[C@H](C(=O)N2CCC(N(C)C)CC2)n2nnnc2C)c1 48333380 MDMGCNMARVOPBO-GOSISDBHSA-N 372.473 1.327 0 40 FDAB CCCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)n[nH]c1=O 48356279 REUUZKAMOPPJBP-UHFFFAOYSA-N 352.464 1.743 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 36383987 DIYRRCCVQZCPTK-UHFFFAOYSA-N 366.465 1.958 0 40 FDAB CCCn1nc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)ccc1=O 48367864 AHLGDNKENWEFQC-UHFFFAOYSA-N 354.370 1.699 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1 24592959 OKTINWUZHGFQGE-UHFFFAOYSA-N 364.409 1.990 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 28871606 AIRFCHJAWKVTAN-QWHCGFSZSA-N 361.398 1.125 0 40 FDAB CCOc1ccc(OCC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 29236506 WTASSLKEKQQNTI-SFHVURJKSA-N 350.459 1.937 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2csc(C)n2)Cc2cncn21 306125455 CRONCVRTYXXTQQ-CQSZACIVSA-N 355.489 1.144 0 40 FDAB O=C(NCc1coc(-c2cccs2)n1)c1cnc2n(c1=O)CCS2 12817532 PJPJPFSSYVDEID-UHFFFAOYSA-N 360.420 1.996 0 40 FDAB COc1cccc(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c1 8984218 HSNWIJIRGPSKME-UHFFFAOYSA-N 353.378 1.677 0 40 FDAB CC[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O 8972977 YKQHVEIPEJXFSF-OAHLLOKOSA-N 363.377 1.578 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NC[C@H]1COc2ccccc2O1 14161197 CPHBTBXOZMCECL-AWEZNQCLSA-N 368.389 1.758 0 40 FDAB COc1cc2c(cc1OC)CN([C@H](C)c1nc(N)nc(N(C)C)n1)CC2 14201813 ZGJUPYVHHIFQAD-LLVKDONJSA-N 358.446 1.656 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)OC(C)(C)C)C2=O 14675909 UAKVPFORDBNVTL-PIGZYNQJSA-N 354.403 1.372 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H](C)N1C(=O)N1CCOCC1 4999016 ONXOGCHUQUXFAR-KBPBESRZSA-N 353.444 1.180 0 40 FDAB COc1ccccc1S(=O)(=O)N1CCO[C@@H](c2noc(C(C)C)n2)C1 96000522 LXYMHFJICIKGQD-CYBMUJFWSA-N 367.427 1.964 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CCO)cc1C(F)(F)F 90446008 VXSKFAVQIDICPL-LLVKDONJSA-N 353.362 1.786 0 40 FDAB COc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(OC)c1 7667563 BZUPOVFRHMWFNU-UHFFFAOYSA-N 363.395 1.140 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2CC 8391771 MQPIVYSPVMWXBG-UHFFFAOYSA-N 368.437 1.852 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnnn1C1CC1)OCO2 8346148 HFISSBVKQDJODS-UHFFFAOYSA-N 361.383 1.670 0 40 FDAB CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 17074308 IRNSKMUAAIAGQH-UHFFFAOYSA-N 360.501 1.431 0 40 FDAB C[C@@H](OC(=O)c1ccc(COCC(F)(F)F)cc1)C(=O)N1CCNC1=O 9497532 PJGXDCFQNIFGKA-SNVBAGLBSA-N 374.315 1.863 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(C(N)=O)o2)CC1=O 72310297 DPBLILHQZYRXON-GFCCVEGCSA-N 371.393 1.365 0 40 FDAB CC(=O)N1CCC(C(=O)N2CC[C@](C)(C(=O)O)C2)(c2ccccc2)CC1 95970825 WGAFZARNFWBFQZ-IBGZPJMESA-N 358.438 1.890 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSC1CCCC1 25249947 YIDADKZQLUBXHV-UHFFFAOYSA-N 368.480 1.623 0 40 FDAB CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)CC 408696739 DYDYKXDKYZFXDC-LBPRGKRZSA-N 356.444 1.891 0 40 FDAB CCNC(=O)N1CCN(c2nnc(COc3ccccc3OC)n2C)CC1 508437871 ZEEZOHTXEMMPKG-UHFFFAOYSA-N 374.445 1.254 0 40 FDAB Cc1cn(C)nc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 36701841 MXRLDMAMAKEDOG-UHFFFAOYSA-N 350.425 1.994 0 40 FDAB C[C@H](C(=O)Nc1nnc([C@H]2CCCO2)s1)n1nnc2ccccc2c1=O 71333694 KWQNUAZNAWUFEK-BXKDBHETSA-N 372.410 1.694 0 40 FDAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccccn2)CC1 79480579 RYGCRUBVZDFPHE-UHFFFAOYSA-N 369.473 1.758 0 40 FDAB COCCCNC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 39972238 HHUWLVHVSFUCSL-UHFFFAOYSA-N 373.419 1.976 0 40 FDAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)COc2ccccc2)C1 72374032 PDJMZFLWGKFNTR-INIZCTEOSA-N 355.442 1.856 0 40 FDAB CN(C)C(=O)[C@@H]1CN(Cc2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 72334444 CKDZXYJMJUIBCV-GHTZIAJQSA-N 364.449 1.327 0 40 FDAB CCS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H](CC(=O)O)C2)c1 562740507 SMGCOEAEYVGEKD-CQSZACIVSA-N 368.455 1.877 0 40 FDAB O=C(C1CCCCC1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224327800 FIJSGUYPZRWFOY-UHFFFAOYSA-N 359.474 1.542 0 40 FDAB CCn1cnnc1CNS(=O)(=O)c1ccc(C)cc1Br 48667394 LBIINMRIYHDDQC-UHFFFAOYSA-N 359.249 1.847 0 40 FDAB CO[C@H](C)c1noc(CCC(=O)N2CCN3CCOc4cccc2c43)n1 329093877 ATQCHSXRCWAXHJ-GFCCVEGCSA-N 358.398 1.955 0 40 FDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCSc2ncn[nH]2)c1 225965535 OMCVDOBWOYIGCC-UHFFFAOYSA-N 369.472 1.113 0 40 FDAB OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCNCC1 225477711 JLJBDNAOKYTITP-UHFFFAOYSA-N 359.499 1.431 0 40 FDAB biogenic,in-vitro Cc1csc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)n1 223309064 UKSGTWUVSKIVFJ-UHFFFAOYSA-N 355.441 1.719 0 40 FDAB O=C(Nc1nc(C(=O)NCCCn2ncccc2=O)co1)c1ccsc1 77196544 ABUOFPUFKNLYLE-UHFFFAOYSA-N 373.394 1.365 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)[C@@H]1c1nccn1C 576298406 QBDLWORBWVHXSG-SWLSCSKDSA-N 358.446 1.321 0 40 FDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccnnc3)C2)n1 96209680 RUBNMNYPKUDCDE-APWZRJJASA-N 353.426 1.058 0 40 FDAB CN1CC2(CCN(C(=O)C3CC3)CC2)COc2ccccc2S1(=O)=O 96145102 HKUNKAXKSTVSOX-UHFFFAOYSA-N 364.467 1.718 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247522719 MCBCGOIOVPNFAC-AWEZNQCLSA-N 374.422 1.376 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1ccsc1 25328805 UDQBKWSWRUAQOD-INIZCTEOSA-N 356.451 1.877 0 40 FDAB O=S(=O)(c1cccs1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257256804 KMZQGAIHXLWALL-GFCCVEGCSA-N 355.441 1.266 0 40 FDAB Cc1cn2c(CN[C@@H]3CCCN(c4ncc[nH]c4=O)C3)c(C)nc2s1 681916319 RILXRTSSZPKUBW-CYBMUJFWSA-N 358.471 1.855 0 40 FDAB Cc1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(C4CN(C)C4)C3)CC2)cn1 1775959894 FJOUCQSZTWLXLQ-KRWDZBQOSA-N 356.470 1.259 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)n1ccc(C(F)(F)F)n1 630824573 DZQUTWAGDGEWTE-NXEZZACHSA-N 368.381 1.003 0 40 FDAB CCOCC(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096151 VMHLIEFBSWAKRC-OAHLLOKOSA-N 362.455 1.223 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)CCc3ccc(C)cc3C)C2)C1 685942897 SPNHDIKTSZIKOH-INIZCTEOSA-N 357.454 1.041 0 40 FDAB COc1ccc(CCC(=O)NCC(=O)N2CCCC2)c(OC)c1OC 55100844 ASTIAPZGZPXPER-UHFFFAOYSA-N 350.415 1.384 0 40 FDAB CCN1CCN(C(=O)[C@]2(CCOC)CCN(C(=O)OC(C)(C)C)C2)CC1 75106028 ZQDBRFMBPLYVCN-IBGZPJMESA-N 369.506 1.814 0 40 FDAB CCCCC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)OC 79024774 PNTMIWXTQVNQQE-AWEZNQCLSA-N 356.444 1.910 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O[C@@H]2C[C@H](C)OC2=O)c1C 84075038 SDFNXQWJJXEXAQ-SMDDNHRTSA-N 369.439 1.446 0 40 FDAB CCN(CC)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 11613417 QMAFZQWCNOWBPM-UHFFFAOYSA-N 374.420 1.001 0 40 FDAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)ccc1O 12144526 HPQNIXLIWVIYMT-BZNIZROVSA-N 359.382 1.030 0 40 FDAB O=C(CN1CCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326165 NIBHCMDJLBPLNL-UHFFFAOYSA-N 363.477 1.711 0 40 FDAB Cc1nn(C(=O)c2cccs2)c(C)c1S(=O)(=O)N1CCOCC1 16976594 DQVWWLOSILEKBX-UHFFFAOYSA-N 355.441 1.271 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 19460685 MZOGZDBHDYRXRZ-XMDUPGNXSA-N 372.352 1.801 0 40 FDAB CCN1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)C(C)C)CC1 19528109 BOCSROYQQGKZKN-SFHVURJKSA-N 372.473 1.785 0 40 FDAB COc1ccccc1C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19568986 PXNMYAHYXFFRQQ-UHFFFAOYSA-N 368.437 1.957 0 40 FDAB CC(=O)N[C@@]12CN(C)CC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3[nH]1)C2 19713754 KGBCHBXXWXUQSN-AUUYWEPGSA-N 358.417 1.589 0 40 FDAB Cn1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 14899696 GTHWZGVGALDIRL-UHFFFAOYSA-N 354.457 1.909 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(S(=O)(=O)C2CC2)CC1 1848725546 JOLKEYGDCFTICB-UHFFFAOYSA-N 361.467 1.909 0 40 FDAB CN(C)CCCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037841188 ZLPJZIDZEOYEQA-LJQANCHMSA-N 363.433 1.502 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)on1 1614947931 OZSBGBWYANAISG-GFCCVEGCSA-N 351.403 1.219 0 40 FDAB CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1142639882 CMGYODWCDIUWAU-MNZLEMJZSA-N 359.470 1.995 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@@H]21 1565546047 ROAGIXZYTIHCHM-HOTGVXAUSA-N 366.893 1.602 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccccc1F 8954699 RQCWMSSTLKPZEG-UHFFFAOYSA-N 363.370 1.621 0 40 FDAB Cn1cc(C(=O)N2CCC23CN(C(=O)c2cc4ccccc4n2C)C3)cn1 2055793309 NSFFRTXPOAHKKY-UHFFFAOYSA-N 363.421 1.653 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)o1 2055795705 GQLADKWZWJDPRJ-SFHVURJKSA-N 357.414 1.505 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966013 OYVCIIGCTDUJAI-UHFFFAOYSA-N 359.317 1.225 0 40 FDAB COc1cnc(O[C@@H]2CCN(c3ncc(Br)cn3)C2)nc1 2086884541 HZSDKRHJSICFAN-SNVBAGLBSA-N 352.192 1.695 0 40 FDAB C/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20266108 BNIZVRNFBKMGDW-JQIJEIRASA-N 367.409 1.728 0 40 FDAB Cc1occc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1N 21093601 WDGLMCHKGCEATN-UWVGGRQHSA-N 351.432 1.288 0 40 FDAB O=C(CN1CSCC1=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796667 OJRQURJWOWVWHZ-UHFFFAOYSA-N 353.407 1.892 0 40 FDAB NC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 21448619 OSEFZWWJSYUFBU-IEBWSBKVSA-N 366.417 1.847 0 40 FDAB O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815792 YPJZAXIUNALSJR-UHFFFAOYSA-N 372.349 1.831 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H]1COc2ccccc2C1 53045540 KNDURLYWWNJZHH-GFCCVEGCSA-N 352.312 1.987 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CC1 53391765 KTAOGBOWIIEDBN-OAHLLOKOSA-N 373.563 1.675 0 40 FDAB CNC(=O)c1cccc(OC(=O)CCn2c(=O)n(C)c3ccccc32)c1 41858976 SMJWJOYLZFZKKE-UHFFFAOYSA-N 353.378 1.695 0 40 FDAB O=C(O)[C@H](Cc1ccc(O)cc1)N[C@H](c1ccccc1)P(=O)(O)O 1590380 JEUSOUAJTPGJSH-GJZGRUSLSA-N 351.295 1.854 0 40 FDAB O=C(CCNc1ncnc2[nH]cnc12)NCc1nc(-c2ccccc2)no1 12407744 BPRGBGADHMWRRI-UHFFFAOYSA-N 364.369 1.521 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O 79024836 LITDGAVKCDNZGW-GFCCVEGCSA-N 373.306 1.953 0 40 FDAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)OCN1C(=O)c2ccccc2C1=O 2471444 XYVKLPHQEACESA-IUODEOHRSA-N 373.409 1.804 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](COc2ccc3ccccc3c2)O1 12414136 NZWLZIXOVXEQGY-AWEZNQCLSA-N 364.361 1.417 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 3439852 URCMQBCUPFQMTL-UHFFFAOYSA-N 351.309 1.637 0 40 FDAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)NC1CCCC1 6452545 RLKPDHUNDQZEIR-UHFFFAOYSA-N 373.482 1.896 0 40 FDAB COc1cccc(CNS(=O)(=O)c2c(C)nc3sccn3c2=O)c1 6822924 WJYSRFUPPZVFQX-UHFFFAOYSA-N 365.436 1.552 0 40 FDAB CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 8253917 OKTGAMBNGFVROX-XKQJLSEDSA-N 354.458 1.326 0 40 FDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cc1 12543748 XFIIIIMNHIATDR-UHFFFAOYSA-N 360.439 1.928 0 40 FDAB CC(C)[C@H](C(=O)NCCC(=O)Nc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 106153861 OTWLHXKMWPPDSM-IIDMSEBBSA-N 362.474 1.660 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(OC)cc2OC)CC1 24840721 HFWCCRGAPHIRIE-UHFFFAOYSA-N 370.471 1.177 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](c1ccsc1)N(C)C 25330875 CSNBRWXQSSTESX-CQSZACIVSA-N 373.486 1.346 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc2c(c1)OCCO2 3265273 CLDJLDBUHUEDMW-UHFFFAOYSA-N 367.361 1.989 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc12 35308122 GLBFXYWBMPIIDQ-UHFFFAOYSA-N 367.449 1.885 0 40 FDAB CCCCn1nnnc1COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 26431355 ZLTDCGKXJTVGHS-LLVKDONJSA-N 357.370 1.201 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CCN(C(=O)C4CC4)CC3)c2O1 12682750 OEOXKZLQXQVOAP-UHFFFAOYSA-N 358.438 1.860 0 40 FDAB COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C)C(=O)[C@H]23)cc1 100781609 JEJFYSPDACMZPU-KURKYZTESA-N 351.406 1.740 0 40 FDAB CC(C)OC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 57435579 SUJDBHXUUXRHOP-UHFFFAOYSA-N 358.435 1.474 0 40 FDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58182032 CGOXBEUGQLKGJA-LJQANCHMSA-N 355.369 1.909 0 40 FDAB Cc1n[nH]c(C(=O)N2CCN(CC(F)(F)F)CC2)c1Br 58230599 AROVOXJZUUMBTD-UHFFFAOYSA-N 355.158 1.801 0 40 FDAB COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1c(C)nn(C)c1C)C2 107711232 OLVZAKFFRMFVOL-ZBFHGGJFSA-N 357.476 1.243 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCOc2ccccc21 58312131 CXQIJPOFVUTTAF-AWEZNQCLSA-N 352.398 1.506 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)C(C)C)CC1 58324198 FPMABUGWLHCDFS-UHFFFAOYSA-N 352.456 1.421 0 40 FDAB COC(=O)C1=C2C(=O)NCCN2C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 58420686 XZMAVVJKGALUPO-NSHDSACASA-N 370.192 1.617 0 40 FDAB O=C1COc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2N1 25175583 DQCMJCCTEDHSEC-UHFFFAOYSA-N 373.453 1.782 0 40 FDAB Nc1nnc(SCC(=O)OCC(=O)NCCc2ccccc2)s1 3358688 ZSRPFAVZKCPODX-UHFFFAOYSA-N 352.441 1.115 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccs2)cc1 10758045 XCKPXLHTFRQPIW-UHFFFAOYSA-N 360.482 1.276 0 40 FDAB CCOC(=O)N1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 36368061 QODZTPIBBRCOIC-UHFFFAOYSA-N 370.453 1.827 0 40 FDAB biogenic CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)COc2ccc3c(c2)CCC3)CC1 21841112 MHNDKFWIAFGDPO-CQSZACIVSA-N 374.437 1.177 0 40 FDAB Cc1c(O[C@@H](C)C(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2405791 HDWIAEVHEYFOPK-NSHDSACASA-N 359.378 1.948 0 40 FDAB CC(C)N(C(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C 24243847 FSOKFVGEWREJQO-HZPDHXFCSA-N 352.523 1.305 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 29289122 DLMKRPOKENRWJG-GFCCVEGCSA-N 352.354 1.243 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1 11615569 AACLAWLDULUSRN-UHFFFAOYSA-N 350.352 1.939 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 8991355 YCQHGYXSXBVSNO-UHFFFAOYSA-N 362.817 1.465 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCO)c(Cl)c1 71286884 QTLHJGRMSNJLFE-RYUDHWBXSA-N 354.790 1.357 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)n[nH]c1C 14185949 KNKZWRRKIDVIPU-UHFFFAOYSA-N 368.434 1.493 0 40 FDAB O=C(NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O 4592346 YXNBHSFRFDRSLQ-IGQOVBAYSA-N 368.430 1.001 0 40 FDAB Nn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1C1CC1 6586320 IQXKLZWVJANVJJ-CQSZACIVSA-N 359.455 1.562 0 40 FDAB Cc1cc(C)n(CCCNC(=O)C(=O)NCCCn2nc(C)cc2C)n1 4769682 NMLDKQOZRIETHW-UHFFFAOYSA-N 360.462 1.026 0 40 FDAB C[C@H](C(=O)Nc1cccc(Cl)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829729 OUFRCFSCOMOJES-SECBINFHSA-N 361.789 1.287 0 40 FDAB C[C@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)N1CCOCC1 7989592 GCULPYUHWIZREE-JTQLQIEISA-N 353.835 1.655 0 40 FDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 16599717 CSASLMCAOMVHBS-MRXNPFEDSA-N 369.421 1.564 0 40 FDAB CCN(C(=O)CSc1nnc(C2CC2)n1CC)[C@H]1CCS(=O)(=O)C1 8185630 QFKBYQUJEIVTBG-LBPRGKRZSA-N 372.516 1.303 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 19909255 GXWCORNPALTRDK-UHFFFAOYSA-N 366.224 1.227 0 40 FDAB COCCn1nc(C)c(NC(=O)C(=O)NCc2ccc(OC)cc2)c1C 84013944 JVJCPSLIYUAQSI-UHFFFAOYSA-N 360.414 1.410 0 40 FDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(N(C)CC(=O)O)CC1 548026977 GLVZXAYDTSUOST-AWEZNQCLSA-N 360.454 1.950 0 40 FDAB C[S@](=O)C1(CNC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)CC1 503365798 UCQSATBHZLWCQL-CUXVXRRMSA-N 358.410 1.693 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306141665 WDHLPGIRJJOCMU-KBPBESRZSA-N 357.483 1.926 0 40 FDAB CCc1nn(CC(=O)NCc2ccncc2)c(=O)c2cc3occc3n12 72346402 BYCGUJNEQZLPAF-UHFFFAOYSA-N 351.366 1.516 0 40 FDAB C[C@@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)N1CCOCC1 72393288 HOIFNLCUNFYTJE-AWEZNQCLSA-N 371.441 1.558 0 40 FDAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71280964 ADXGZJWIAURJTH-IRXDYDNUSA-N 372.421 1.860 0 40 FDAB COc1ccc2cc(C)c3nn(CN4CCN(C(C)=O)CC4)c(=O)n3c2c1 72347003 YNWGDJJSORDKFN-UHFFFAOYSA-N 369.425 1.088 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 43007526 XTQGCRIKNIVMSQ-QGZVFWFLSA-N 357.454 1.362 0 40 FDAB O=C(CSc1ncccn1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386228 FEROBSIKTQXOFB-CQSZACIVSA-N 368.418 1.747 0 40 FDAB O=C(Nc1ccncc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44892632 OUHLYBAURIIVLM-KRWDZBQOSA-N 354.410 1.673 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Br 226628430 ZHPPUSPCAJHRPV-OXIQGZBJSA-N 350.168 1.254 0 40 FDAB Cc1csc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 225597474 KIKWYMHZSGYTPL-UHFFFAOYSA-N 368.484 1.327 0 40 FDAB CC(C)(C)C(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96100227 KWRLEWNFEBGLBD-IBGZPJMESA-N 360.458 1.360 0 40 FDAB Cc1nnc(N2CC[C@H]3C(=O)N(Cc4ccncc4)CCO[C@H]3C2)s1 96218542 XODHFWGUNRHMCH-CABCVRRESA-N 359.455 1.495 0 40 FDAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96219906 JOMBLUPIKVPMBE-FXAWDEMLSA-N 354.454 1.926 0 40 FDAB CN(C)C(=O)N[C@H]1COC2(CCN(C(=O)NCc3cccnc3)CC2)C1 96220726 IVWPOMUPQBLMRO-OAHLLOKOSA-N 361.446 1.186 0 40 FDAB Cc1cnc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)s1 96124016 SYYAWPPEVRDMHK-GFCCVEGCSA-N 370.442 1.677 0 40 FDAB Cc1nccc(N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)n1 585138283 BCZCPYFFSWXOPM-UHFFFAOYSA-N 353.426 1.449 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3C[C@H](COCC4CC4)C[C@H]32)c1 248125780 LSVIFCPRSOMAQS-RBSFLKMASA-N 355.460 1.015 0 40 FDAB CCc1nccn1CC(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257330744 XPRUCLXCQPTXDY-UHFFFAOYSA-N 354.458 1.753 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 257286261 PKYHLCNUQHETCW-GOSISDBHSA-N 355.413 1.898 0 40 FDAB C[C@@H]1COC(=O)N1c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257288553 PUQUESZSXRDXCX-GFCCVEGCSA-N 368.459 1.413 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)n1 257324074 WNARYYWOMRJSAV-HNNXBMFYSA-N 350.382 1.579 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1 257333057 XZXXXTWGKQTPNW-KRWDZBQOSA-N 351.410 1.922 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CCN1C(C)C 257214835 CNPHCCZWUPDTQS-GOSISDBHSA-N 360.502 1.570 0 40 FDAB O=C(CCNC(=O)[C@@H]1CCCN1)N[C@H](CO)c1ccccc1C(F)(F)F 1122339914 IGKHJDISYYYJTG-UONOGXRCSA-N 373.375 1.113 0 40 FDAB CN1CC[C@]2(CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)C2)C1 644190526 KZWQEHBMBVXGOT-SFHVURJKSA-N 363.483 1.254 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C(=O)NCC(N)=O 1616032302 SWMOBBBYJUMHJZ-GDBMZVCRSA-N 361.442 1.771 0 40 FDAB O=C(NCC(=O)C1CC1)c1ccccc1S(=O)(=O)N1CCCCC1 572073545 JEHXCGZRBSTXQI-UHFFFAOYSA-N 350.440 1.570 0 40 FDAB COCCN1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585284170 FRZTXWXPRZRGRS-IPMKNSEASA-N 352.450 1.751 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102591 BBCMQZZDUMLVRS-KXBFYZLASA-N 361.442 1.783 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(C)cc3)C2)OC1 585104432 INBJKBHTLZYSED-KRWDZBQOSA-N 352.500 1.915 0 40 FDAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291159 LVLOSDUFNSDIFG-OWLMGLOSSA-N 374.481 1.961 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCC[C@@H](c4ccnn4C)C3)[nH]2)CC1 685942836 WTBGHCAWFUVEFH-OAHLLOKOSA-N 356.474 1.972 0 40 FDAB Cn1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1=O 1776008857 PJNGDORHSKYWPF-UHFFFAOYSA-N 353.304 1.047 0 40 FDAB CCOC(=O)CCCS(=O)(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 84793418 SQACHUYQTUILNF-GDBMZVCRSA-N 357.472 1.804 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCCCC2)cc1 13688684 ATOXZBOUNGPDSS-UHFFFAOYSA-N 353.488 1.218 0 40 FDAB COc1ccccc1C(c1c(O)nc(C)[nH]c1=O)c1c(O)nc(C)[nH]c1=O 16363279 WXJWXXFVXUANEG-UHFFFAOYSA-N 370.365 1.070 0 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COC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479785 HSGBQAGRMQRLGA-NEPJUHHUSA-N 351.403 1.143 0 40 FDAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N(C)C1CCN(C)CC1 7457666 KEMHVHRREIHTGM-UHFFFAOYSA-N 370.453 1.716 0 40 FDAB COc1ccccc1[C@@H]1N=C(N2CCOCC2)Nc2nc(C)cc(=O)n21 8992130 FOHPXMCZAXIYSQ-MRXNPFEDSA-N 355.398 1.221 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769421 LOTLFIMQXVEGRE-AWEZNQCLSA-N 363.439 1.147 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccco2)CC1 27197382 VOFGGVQPAPJBKO-HNNXBMFYSA-N 354.403 1.459 0 40 FDAB O=C(NCc1nc(C2CCOCC2)no1)c1cc(-c2cccnc2)on1 575616287 INDQCWUQJTVUNP-UHFFFAOYSA-N 355.354 1.944 0 40 FDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC1CCCCC1 32818665 ZRCVRAORWHPXRM-UHFFFAOYSA-N 358.236 1.386 0 40 FDAB CCCc1nnc(S)n1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 32863788 SXCXVQZDLJHLKK-SECBINFHSA-N 361.427 1.877 0 40 FDAB COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(C)=O 795947 KPONEMQHHUMJCC-AWEZNQCLSA-N 351.384 1.622 0 40 FDAB NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1 899908 DJUGGIRNNLWQDX-ZDUSSCGKSA-N 365.434 1.786 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1 53354984 MPHPCXKHCAHEAL-UHFFFAOYSA-N 350.318 1.781 0 40 FDAB CC(C)Cc1csc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O 12388904 RASZMIJYYAFABK-UHFFFAOYSA-N 371.462 1.957 0 40 FDAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 3559163 MOYFSGLMDKIOKC-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB C[C@@H](c1nc2ccccc2s1)N1CCN(CC(=O)N2CCOCC2)CC1 22806639 CDLDGLGJDZPDIS-HNNXBMFYSA-N 374.510 1.834 0 40 FDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1 4537650 KXNUFFKDNQMEIU-UHFFFAOYSA-N 373.394 1.754 0 40 FDAB Cc1sc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 6679821 ADTOBPFVVWRBQZ-UHFFFAOYSA-N 358.485 1.750 0 40 FDAB CCOc1ccc(OCCNC(=O)Cn2nnc3ccccc3c2=O)cc1 8403023 SPJDXIPXFAMVIM-UHFFFAOYSA-N 368.393 1.385 0 40 FDAB COc1cc(Br)c(CNC[C@H]2CN(C)CCO2)cc1OC 105472623 MUCFGDVZOKSGLZ-LBPRGKRZSA-N 359.264 1.887 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1sc2ncn(C)c(=O)c2c1C 24726545 LLTFFXAYWDSFMU-JTQLQIEISA-N 351.428 1.621 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3cnn(C)c3C)CC2=O)cc1 25004192 GDLMHXMPEQBWBD-OCCSQVGLSA-N 356.426 1.967 0 40 FDAB OC[C@@H]1O[C@@H](c2ccccc2)O[C@@H]1[C@H]1O[C@H](c2ccccc2)O[C@@H]1CO 43771937 FRNYWYUVZQQBQN-GNVSMLMZSA-N 358.390 1.937 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(NC(=O)c2ccccc2)CC1 57395930 RZTKNIAVQBPROC-ZDUSSCGKSA-N 369.473 1.475 0 40 FDAB NC(=O)c1c(NC(=O)CCN2CCC(O)CC2)sc2c1CCCC2 28896463 JICPXQLCGSHWTG-UHFFFAOYSA-N 351.472 1.511 0 40 FDAB O=C(COCc1cc(-c2cccs2)on1)NCCCN1CCOCC1 20479901 HEFHJZUSTVAORL-UHFFFAOYSA-N 365.455 1.758 0 40 FDAB COc1ccccc1-c1cc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)[nH]n1 58223110 PRTZEPDGSRZYDL-UHFFFAOYSA-N 369.381 1.342 0 40 FDAB O=C(c1cnc2ccccn2c1=O)N1CCN(Cc2cccs2)CC1 58245805 UEXXLTVBDYNFSZ-UHFFFAOYSA-N 354.435 1.714 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 10795600 IESKGCYKRNRZOT-GFCCVEGCSA-N 354.428 1.138 0 40 FDAB COc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc(OC)c1 10997528 KWDBLFHYUGPHNG-MNOVXSKESA-N 371.411 1.009 0 40 FDAB Cn1c(=O)n(CCC(=O)OCc2ccc(C(N)=O)cc2)c2ccccc21 11490827 SFWAKXHZLMKNQL-UHFFFAOYSA-N 353.378 1.572 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1 3333892 DWLIPHSLKXJJNM-UHFFFAOYSA-N 367.471 1.020 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 24471609 XLHHMKYYWYOEBT-CYBMUJFWSA-N 351.447 1.515 0 40 FDAB O=C(NCCNc1cnccn1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 46406532 HGCHFHXJLVEVQH-OAHLLOKOSA-N 368.441 1.949 0 40 FDAB CCN(CC)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 12867540 LFEMWJSHJCTTGB-UHFFFAOYSA-N 361.471 1.699 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 2637302 HRRBHIMJGBJCTK-HNNXBMFYSA-N 351.362 1.437 0 40 FDAB CCOC(=O)CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)OCC 12874736 CXJNJJKHSNZRGR-IUODEOHRSA-N 369.389 1.984 0 40 FDAB CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)C1=O 3440986 YWWTVNCCFYPBHF-AWEZNQCLSA-N 359.426 1.571 0 40 FDAB COCCNc1nnc(SCn2nnc3ccccc3c2=O)s1 3406223 LFPQVOISOBSHKR-UHFFFAOYSA-N 350.429 1.451 0 40 FDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3cccs3)s2)cc1 3766239 FFYZLCAPYZJONN-ICFOKQHNSA-N 360.420 1.844 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1OCC 13183643 DBTMWDDXKNEELE-GFCCVEGCSA-N 357.428 1.969 0 40 FDAB O=C(COC(=O)CCNS(=O)(=O)c1cccs1)Nc1ccccc1 6151138 QGWJVIUATLJYLZ-UHFFFAOYSA-N 368.436 1.598 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCc1ccccc1 4370653 YONXWFSPWUFUFU-UHFFFAOYSA-N 365.437 1.936 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1 6203259 FJBDJVJCPQWKIN-UHFFFAOYSA-N 374.349 1.899 0 40 FDAB CC(C)n1ncc2cc(C(=O)OCc3nc(N)nc(N(C)C)n3)cnc21 14125493 UIMUAHWCVYVHLO-UHFFFAOYSA-N 356.390 1.202 0 40 FDAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 6586300 JGKOYXFNDZEAQU-UHFFFAOYSA-N 355.797 1.889 0 40 FDAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl)N1CCOCC1 66936106 LQWVLKQQEGKTED-CQSZACIVSA-N 372.874 1.742 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26116944 NYGAMRQROJQSFN-UHFFFAOYSA-N 372.512 1.911 0 40 FDAB Cc1ccc(CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)c1 8097419 OJIWUCOUQDWRBI-UHFFFAOYSA-N 351.406 1.965 0 40 FDAB Nc1nc(N)nc(SCC(=O)N2CCS[C@H]2c2ccccc2F)n1 8036326 LNCFYZRSBPHDGL-NSHDSACASA-N 366.447 1.541 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCCN(c2nccs2)CC1 70012677 FZPOHNVUCVENPA-CYBMUJFWSA-N 365.503 1.812 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC[C@H](O)c1ccc(F)cc1 72278413 NKFDNLQMKJGSSY-ZDUSSCGKSA-N 358.291 1.856 0 40 FDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1cc(Cl)c(Cl)[nH]1 84338752 XUJLGIHONVTGEQ-SNVBAGLBSA-N 369.208 1.916 0 40 FDAB COC(=O)c1nc(NC(=O)COc2ccccc2-n2cnnc2)sc1C 95476943 WRCYEKSLRJYLBJ-UHFFFAOYSA-N 373.394 1.836 0 40 FDAB CN(CC(=O)Nc1ccc2[nH]ncc2c1)S(=O)(=O)c1ccc(F)cc1 73421349 LPLTWQYHTIFNBP-UHFFFAOYSA-N 362.386 1.961 0 40 FDAB COc1ccccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 95951288 XZLNAFUEFRMHSU-UHFFFAOYSA-N 356.430 1.429 0 40 FDAB CC(C)CCC[C@@H](C)NC(=O)Cn1nc(N2CCOCC2)ccc1=O 61721515 GESUPQHTSOGUMM-OAHLLOKOSA-N 350.463 1.411 0 40 FDAB O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)c2ncc(F)cc2F)n1 516838424 GPJTZXRGFORZEJ-NSHDSACASA-N 363.324 1.612 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)c1 1521807439 NGGJHVZJZJDWMW-AWEZNQCLSA-N 360.410 1.832 0 40 FDAB CCN(CC)[C@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)C1 525726810 YNQRLNOIMOUBQC-AWEZNQCLSA-N 371.441 1.388 0 40 FDAB O=C(NCCc1ccccc1)N1CC(c2nc(-c3ncccn3)no2)C1 49483224 OPJZWRRVTLPALQ-UHFFFAOYSA-N 350.382 1.878 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2cnccn2)C1 225795707 HAVJVZHNEXIDQD-QGZVFWFLSA-N 354.410 1.607 0 40 FDAB CO[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96209023 SXHUFUKMLLXHRL-JQHSSLGASA-N 355.442 1.177 0 40 FDAB O=C(c1ccsc1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96059606 OHTIFLJXIBNMAK-UHFFFAOYSA-N 355.423 1.596 0 40 FDAB Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)Nc3cccnc3)C2)cn1 96209559 RYJODXILMDTXBP-KBAYOESNSA-N 355.442 1.681 0 40 FDAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc(S(N)(=O)=O)s1 580576865 VMNSVXHBWDSJGI-VIFPVBQESA-N 356.429 1.233 0 40 FDAB CN1CCN(Cc2ccccc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)C1=O 96230324 QPLSKGLAYZLUBO-UHFFFAOYSA-N 366.465 1.964 0 40 FDAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(c1ccncn1)CC2 96260491 TZVQJZJGYBHVNK-UHFFFAOYSA-N 354.458 1.904 0 40 FDAB CCCc1nnc(S)n1CC(=O)NC[C@H](c1ccsc1)N(C)C 25331098 MJYAZWXKGDWKEX-GFCCVEGCSA-N 353.517 2.000 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(Br)s1 25474797 CJVCNTWCNDHMIS-UHFFFAOYSA-N 372.244 1.445 0 40 FDAB Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c2cc(F)ccc21 257217388 CYSQCUOBXZOILS-NVXWUHKLSA-N 357.389 1.016 0 40 FDAB C[C@H](NC[C@@H]1C[C@H](O)[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O)c1ccccc1 257278236 OBKBPTYCNHAIRW-UMCUTINXSA-N 368.441 1.042 0 40 FDAB Cc1nc([C@H]([C@H]2CCCNC2)n2cc(C(=O)O)ccc2=O)sc1CO 257240535 HTZJRSXTIQTNCR-NHYWBVRUSA-N 363.439 1.393 0 40 FDAB CC(C)n1cc(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)cn1 252480713 CDYUDTNMAYENAA-JTQLQIEISA-N 350.400 1.984 0 40 FDAB CN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@@H]1c1nccn1C 276569546 GUXWDIUHFATEGM-QGZVFWFLSA-N 368.416 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NPNGVAGDFFJHJW-UHFFFAOYSA-N 372.425 1.495 0 40 FDAB COC(=O)c1cc(NC(=O)[C@H](NC(C)=O)C(C)C)cc(C(=O)OC)c1 15589530 YZDZKVSOSYPVEA-CQSZACIVSA-N 350.371 1.359 0 40 FDAB CCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(F)cc1 16678168 XJMZHBUDJAXDJM-UHFFFAOYSA-N 368.434 1.239 0 40 FDAB O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19399668 VCYJMLYWZMMDIJ-OAHLLOKOSA-N 352.394 1.493 0 40 FDAB CC(C)c1cc(C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n[nH]1 19451743 ULYSZCKEAXOKJU-CYBMUJFWSA-N 354.458 1.941 0 40 FDAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)C(C)(C)OC 19697198 QWVFIRMUIKLREC-UHFFFAOYSA-N 356.426 1.587 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@H](NC(=O)c3cnccn3)CC2)c(C)n1 19749101 STGIWTHSEYEYAN-AWEZNQCLSA-N 354.414 1.308 0 40 FDAB CC(=O)N1C[C@H](NS(=O)(=O)c2cccnc2)CC[C@@H]1C(F)(F)F 583616453 VQQCZHHOZAHWMJ-ZYHUDNBSSA-N 351.350 1.302 0 40 FDAB CN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 6553128 ALZCOQJCGBVHKK-GNFNDJEDSA-N 369.483 1.392 0 40 FDAB COc1cnc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)nc1 1888866499 TUSPNYZSLWKSQA-ZIAGYGMSSA-N 352.442 1.645 0 40 FDAB CN1CCN(Cc2cnn(C)c2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838288 AWKPLQPHADHKLB-INIZCTEOSA-N 350.470 1.970 0 40 FDAB COCCN1CC=CCC2(CCN(c3ncnc4[nH]cnc34)CC2)C1=O 2037843762 IEPVJUHZBLXJDQ-UHFFFAOYSA-N 356.430 1.374 0 40 FDAB Cc1ccnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)n1 2086992586 PZKIRSDCIKWSCT-UHFFFAOYSA-N 362.437 1.717 0 40 FDAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 2457028 MFIQMXOEHJHJQJ-UHFFFAOYSA-N 356.429 1.435 0 40 FDAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCOCC1 4326870 CTYRKPLSSZOQQY-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB Cc1ccc(CNC(=O)Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)cc1 4483656 MAVLRRITGPUNJN-UHFFFAOYSA-N 367.380 1.763 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c(OC)c1 10330996 DPHSFYALXZCGAF-CQSZACIVSA-N 361.398 1.654 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@H]2CSc3nccc(=O)n32)C1 12236102 BAGSSCFTJVEGKU-RYUDHWBXSA-N 351.428 1.082 0 40 FDAB O=C(c1cnccn1)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 36709938 XLDCGPOLQMMFQU-UHFFFAOYSA-N 366.450 1.742 0 40 FDAB C[C@H](C(=O)NCCOc1ccc(F)cc1)n1nnc2ccccc2c1=O 44450424 QQAHKURZVNQLES-GFCCVEGCSA-N 356.357 1.687 0 40 FDAB CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19523572 VCFMLOZEDKKRPH-WMLDXEAASA-N 368.485 1.881 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccccc1 20131212 XODKGSZHZMVQQJ-QGZVFWFLSA-N 359.426 1.532 0 40 FDAB Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c(=O)[nH]1 31370850 AFFUQCWOGUEPHI-VIFPVBQESA-N 356.382 1.138 0 40 FDAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 100788345 GIFLZIXZJZLAOF-DEWZPKMOSA-N 356.378 1.226 0 40 FDAB biogenic CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 101270572 HOYZZNPPDNTLNZ-NGERZBJRSA-N 350.396 1.710 0 40 FDAB O=C(c1cc(F)cc(F)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090044 QBBRRGUDUTXUMG-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 22267032 NYIJQTGEOVPPRF-UHFFFAOYSA-N 352.435 1.374 0 40 FDAB COc1ccc(C[C@]2(C(=O)O)NCCc3cc(O)c(OC)cc32)cc1O 1559563 JATWXUFMSUAQOG-IBGZPJMESA-N 359.378 1.783 0 40 FDAB COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)cc2)C1=O 2812999 RBTUJIGAZLYNMT-WDZFZDKYSA-N 351.336 1.359 0 40 FDAB COc1cc2oc(=O)cc(C)c2cc1S(=O)(=O)NC[C@@H]1CCCO1 12444955 CXLQDFHDLREJGU-NSHDSACASA-N 353.396 1.567 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nnnn1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104253436 DCUITSVYXGAIKJ-BLFANLJRSA-N 364.475 1.751 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)O[C@H](C)C(=O)NC(N)=O)c(C)c1 4952518 FKIXKUGDAPRWLF-LLVKDONJSA-N 367.427 1.102 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 6354369 JUGPPZMJVOASHL-WOSRLPQWSA-N 372.421 1.909 0 40 FDAB C[C@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103059328 RVKUQAVFGAMYNL-ZDCRXTMVSA-N 364.475 1.384 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 34892414 JMXSLQINFKWTIV-MGPQQGTHSA-N 358.442 1.379 0 40 FDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OC(F)F)cc1 9366690 AIOALJGZVNDKBV-ZCFIWIBFSA-N 356.358 1.757 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC(=O)NCc1ccccc1 35351290 OGPCSXDUELFSOZ-UHFFFAOYSA-N 370.409 1.063 0 40 FDAB COc1cccc(C[C@H](C(=O)NCC(C)(C)CN(C)C)n2nnnc2C)c1 48291071 ZXKSJSSFTPUWFC-QGZVFWFLSA-N 374.489 1.478 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 24681972 ONZUQLVQGDXRDH-CYBMUJFWSA-N 364.471 1.426 0 40 FDAB Cc1c(NC(=O)Cn2nnc3ccccc32)cccc1C(=O)NCCO 58158869 WDZCOBMDGQZPJI-UHFFFAOYSA-N 353.382 1.101 0 40 FDAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1-c1ccc(F)cc1 100923327 XICFALZEYQGSPP-MRXNPFEDSA-N 353.353 1.606 0 40 FDAB CC(C)[C@@H](C(=O)N[C@H](C)Cn1cccn1)N1C(=O)c2ccccc2C1=O 58201242 POEFUHUKGYXOQQ-CJNGLKHVSA-N 354.410 1.709 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](CC(C)C)C(=O)O)nc2n1 12895477 QLDBMONUMINDIG-NSHDSACASA-N 351.432 1.449 0 40 FDAB COc1ccc2c(Cn3nnn(-c4cccs4)c3=O)cc(=O)oc2c1 10813374 HHWDWRNEZLEWHP-UHFFFAOYSA-N 356.363 1.654 0 40 FDAB C[C@@H](C(=O)NCc1ccccn1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957101 RBPRISXXQFGUON-NSHDSACASA-N 369.393 1.831 0 40 FDAB CN(Cc1ccccc1)C[C@H](O)Cn1c(CC(N)=O)nc2ccccc21 60368136 PNSXHQUNGSGKLO-INIZCTEOSA-N 352.438 1.557 0 40 FDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 18708578 HRFSKVBKHYEOIQ-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB O=C(COc1ccccc1C(=O)N1CCOCC1)NCc1ccc(F)cc1 14183893 MZMSZPHGEFBTRG-UHFFFAOYSA-N 372.396 1.993 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 6552706 CVAHVPUBIOFBMK-INIZCTEOSA-N 374.418 1.295 0 40 FDAB COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 66084179 TUJBLIUERMYJGQ-AWEZNQCLSA-N 359.304 1.601 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Nc3cccnc3)CC2)C1 66594658 CTSNUFZSZWSDAG-CVEARBPZSA-N 359.474 1.926 0 40 FDAB CNC(=O)[C@@H]1CCCN1C(=O)c1nnn(-c2cccc3ncccc23)c1C 66834887 TZOJRLQRSDMGGE-INIZCTEOSA-N 364.409 1.475 0 40 FDAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 4969659 LEGUQVJAPNEYJO-IRXDYDNUSA-N 363.377 1.927 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 96000495 WYOXWGSKEIIXES-UHFFFAOYSA-N 370.862 1.713 0 40 FDAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 9344530 LQXZEIVSRJTHGK-UHFFFAOYSA-N 366.421 1.963 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 81088570 USVMKWTUQVYUIU-MRXNPFEDSA-N 356.426 1.241 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)ccc1O 7979007 FHAFQIXMNQEHLQ-ZETCQYMHSA-N 359.176 1.546 0 40 FDAB Cc1cccn2c(=O)cc(CN3CCC(C(=O)N4CCOCC4)CC3)nc12 7989821 JGQKXXVDPRCBAT-UHFFFAOYSA-N 370.453 1.074 0 40 FDAB CCn1ncc(S(=O)(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c1C 17073894 LAIYYFAQKCLYFD-NSHDSACASA-N 358.317 1.181 0 40 FDAB O=C(CNc1ccccc1N1CCCC1=O)N1CCC2(CC1)OCCO2 95445291 RNJOYFQGTXVHDJ-UHFFFAOYSA-N 359.426 1.591 0 40 FDAB Cn1cc(C(C)(C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1 72295465 WYRZBEJXSVKUTI-UHFFFAOYSA-N 362.455 1.625 0 40 FDAB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccnn3C)CC2)c1 97142379 IQFWOPPLWHOBIW-UHFFFAOYSA-N 362.455 1.265 0 40 FDAB CN(C)c1ccc(NS(=O)(=O)c2ccccc2Cn2cncn2)cn1 95466396 WCQRBZYXIIHQLQ-UHFFFAOYSA-N 358.427 1.588 0 40 FDAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)n1 306133295 MHTWFZCPZPJBGV-CABCVRRESA-N 366.469 1.568 0 40 FDAB O=c1n(Cc2ccncc2)nc2n1-c1cc(Cl)ccc1C1=NCCN12 72348117 PWJHZRUMGSRFEX-UHFFFAOYSA-N 352.785 1.711 0 40 FDAB Cc1nnc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)s1 70814900 HYXGTPQSIACDLO-UHFFFAOYSA-N 350.375 1.462 0 40 FDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)[C@H]1CO 72321458 PDZVZCOIAVDZBD-YLJYHZDGSA-N 354.406 1.758 0 40 FDAB biogenic,in-vitro O=C(CN1CCN(c2ccc(Br)cn2)CC1)N1CCCCC1 42146406 SOZHJCZCNMNHST-UHFFFAOYSA-N 367.291 1.979 0 40 FDAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@@H]3CCCO3)n2)cc1 41254422 UGDPNOJQXLEDMH-KRWDZBQOSA-N 371.437 1.994 0 40 FDAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223162562 CYZGOOIVXCNJCU-ROUUACIJSA-N 371.510 1.725 0 40 FDAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)[C@@H](C)c1cccc(OC)c1 40122951 HDOAVCSOTVRVGC-KBXCAEBGSA-N 368.499 1.772 0 40 FDAB CC(C)c1nnc(Cn2cnc3ccc(S(C)(=O)=O)cc3c2=O)s1 530110417 YTZJDACKEIHOEL-UHFFFAOYSA-N 364.452 1.823 0 40 FDAB COc1ccn2c(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3)cnc2c1 573914771 VMOGONXHDFJUMD-CQSZACIVSA-N 368.441 1.784 0 40 FDAB O=C1CO[C@]2(COCCN(CC3CCOCC3)C2)CN1c1ccccc1 96051283 XLXZNKXTQQTXEU-FQEVSTJZSA-N 360.454 1.547 0 40 FDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1 96225856 NCQIKQVOGMIYJG-MRXNPFEDSA-N 360.395 1.414 0 40 FDAB O=C(NC1CC1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239085 NAGHXZKRNWGVID-IBGZPJMESA-N 357.410 1.759 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(Cc4cccnc4)C3)C2)nn1 96240556 KIUZXESVEMRIEU-QUCCMNQESA-N 369.469 1.900 0 40 FDAB CCOC(=O)c1cn(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)nn1 96530278 POHYURJJHCUPKK-UHFFFAOYSA-N 354.407 1.217 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)N2C1 514289839 PCTRELJDUUEGFL-DLBZAZTESA-N 371.510 1.044 0 40 FDAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCCO 96232475 SENIREYKFHYUQO-ZDUSSCGKSA-N 353.806 1.039 0 40 FDAB Cc1noc(C)c1C(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 96253977 WEBPEJHFDIUJRO-UHFFFAOYSA-N 370.457 1.946 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1cccnc1 95479730 QTIPISAZICJLPK-MRXNPFEDSA-N 352.394 1.455 0 40 FDAB CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1 332744142 WFHHHQZJKNGRBD-HOCLYGCPSA-N 367.471 1.051 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229823 GPQUNEGWTVMHMT-XTDOFWJNSA-N 354.362 1.661 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@]2(N)CO)cc1 242522153 IJRHAVCJAXLBLA-KZNAEPCWSA-N 361.419 1.353 0 40 FDAB COc1cc(N2CC3(C[C@H](COc4ccccn4)CCN3C)C2)ncn1 248104716 FPJADHOSGPKWJZ-OAHLLOKOSA-N 355.442 1.860 0 40 FDAB NC(=O)CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257283447 OYJNNKHCZBFQGX-UHFFFAOYSA-N 353.422 1.689 0 40 FDAB CNC(=O)[C@H]1CN(CCOc2cccc(C(F)(F)F)c2)CCN1C(C)=O 257322407 WFVQMYRSFOHRIZ-OAHLLOKOSA-N 373.375 1.363 0 40 FDAB CCn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)cn1 257207350 BHIUOYHPNMNUIQ-YOEHRIQHSA-N 356.426 1.688 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1cnco1 257329011 XIABRVLDYQZAMK-FPAYPSAMSA-N 371.437 1.840 0 40 FDAB CN1C(=O)c2ccc(C(=O)N[C@]3(CO)COc4ccccc4C3)cc2C1=O 529819241 IHHSVZDDSSJCBH-HXUWFJFHSA-N 366.373 1.008 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 1615611965 RXGCEFZDRXOUFU-CQSZACIVSA-N 358.446 1.147 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)cnn1C 643670748 LYCIUPJNKPBMBI-CYBMUJFWSA-N 350.448 1.110 0 40 FDAB COc1ccc(CN2CCCN(c3ncnc4c3nnn4C)CC2)cc1 663364037 ODDKTFQISJVHQJ-UHFFFAOYSA-N 353.430 1.479 0 40 FDAB CC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(-c2ccon2)s1 82092533 UCCGNUGXRDUYLZ-QWRGUYRKSA-N 373.431 1.640 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccco1)c1ccc2c(c1)CCO2 96354597 JFIUNQFDTCKLFO-INIZCTEOSA-N 357.410 1.250 0 40 FDAB Cc1ccc(C(=O)N2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)o1 585095059 CGGGGWFDDKAENB-AWEZNQCLSA-N 365.455 1.601 0 40 FDAB O[C@H]1[C@H](NCc2ccccc2F)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844608 ATODVIMHYMWUIF-DGXTUMSLSA-N 353.781 1.491 0 40 FDAB biogenic,in-vitro Cc1cc(=O)c(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c[nH]1 84068196 WDLGMRDYYIZORC-INIZCTEOSA-N 354.454 1.624 0 40 FDAB CC(=O)Nc1ccc(OC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101508825 VLCAWONSKPDDMM-SYWGBEHUSA-N 354.362 1.358 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cncn2)cc1 11647037 JKKUCDMUUWIRFP-SFHVURJKSA-N 364.405 1.841 0 40 FDAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3cscn3)CC(=O)N1CC2 12188696 XPROHFMORCCQFG-CQSZACIVSA-N 373.434 1.742 0 40 FDAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)NC[C@@H]1CCCO1 12862532 VVWOZIYCTYBMAR-MNOVXSKESA-N 365.434 1.574 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)N4CCCC4)C3)ncc2C1 19077727 PXYVXLWBKSCFCA-GOEBONIOSA-N 371.485 1.181 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c1 10134580 GYJFAFBVWWVSAF-QGZVFWFLSA-N 358.369 1.942 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)Cc3noc4ccccc34)C2)ccn1 1889218774 YRQNHQPYPXHRSC-UHFFFAOYSA-N 352.350 1.154 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(C)=O)c1 15327372 BLMHBOACTXGRKE-KRWDZBQOSA-N 361.419 1.952 0 40 FDAB CCn1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840214 JFUYWIMCCFZXHK-LJQANCHMSA-N 372.400 1.690 0 40 FDAB Cc1nc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)cs1 1565544358 JBIKVWDZHWBFOU-UHFFFAOYSA-N 359.455 1.319 0 40 FDAB COC1(CC(=O)N2CCn3c(nc(CN(C)C(C)C)cc3=O)C2)CCC1 1565555068 QGBQFHLRRRAMBO-UHFFFAOYSA-N 362.474 1.385 0 40 FDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccn2)c2cc(Cl)ccc21 101440155 FLBNODGKQDYNJH-OAHLLOKOSA-N 372.812 1.575 0 40 FDAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCCNS(C)(=O)=O 32803196 NURIMEJFNMYHCA-UHFFFAOYSA-N 354.259 1.684 0 40 FDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102700157 MTVUEDDKKXLIRN-STQMWFEESA-N 367.405 1.702 0 40 FDAB Cn1cc(CCNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 53971670 ZVRIIPNDHHFFHY-KRWDZBQOSA-N 372.444 1.699 0 40 FDAB CN(CC(=O)NC(C)(C)C)CC(=O)N1CCN(c2ccccc2F)CC1 7243818 MFTNIYPAQPPBOO-UHFFFAOYSA-N 364.465 1.321 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(Cc2ccsc2)CC1 24394172 FCTUJCKWKNTPMF-UHFFFAOYSA-N 358.423 1.844 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 101943202 IGDJUVKHKVQMQL-FJIDUMEYSA-N 356.422 1.606 0 40 FDAB CNC(=O)c1ccc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 24922081 PFQKPZMRPSEUIC-UHFFFAOYSA-N 350.378 1.703 0 40 FDAB CC(C)N1C[C@H](C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CC1=O 107157159 UMAVHUAFWKDTSG-QRVBRYPASA-N 371.481 1.355 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(-n2ccnc2C)c(F)c1 56110388 FRFNGWXGXUBNMN-UHFFFAOYSA-N 371.372 1.576 0 40 FDAB CCCCn1nnnc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(C)cc1 36391609 WJSKCCHSIVTMRE-CYBMUJFWSA-N 365.459 1.724 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3329824 NRXIIUIWFLTDTB-ZDUSSCGKSA-N 363.377 1.797 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCc2nc(C)no2)cc1 60242131 DZNOBLXTTAVPBD-NSHDSACASA-N 366.443 1.427 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)NCCc2ccc(Cl)cc2)CC1 29317222 JAZNRYYUSMNGQQ-UHFFFAOYSA-N 359.879 1.606 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 12896212 HAKISASCCDWBHT-UHFFFAOYSA-N 367.453 1.217 0 40 FDAB CN(C)CCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9155767 PZWZQDPJAAVBAX-UHFFFAOYSA-N 351.428 1.050 0 40 FDAB CN(C)C(=O)CNC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 83158524 PGMVVIUQRULJRJ-FQEVSTJZSA-N 358.486 1.772 0 40 FDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)N1CCN(c2ccccc2)CC1 6124709 PVEZLGWKZZWHQQ-UHFFFAOYSA-N 356.426 1.404 0 40 FDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1C 14074323 AJBZOIWZBASAPR-UHFFFAOYSA-N 366.418 1.014 0 40 FDAB CCn1c(SCC(=O)NN2C(=O)N[C@](C)(CC)C2=O)nnc1C1CC1 14070918 DYLYSZRHRQZEKH-OAHLLOKOSA-N 366.447 1.019 0 40 FDAB COCCCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1C 6435948 WUARITZXKZDMFI-UHFFFAOYSA-N 363.414 1.523 0 40 FDAB Cc1cccc(OCCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 14141394 SBUQNAXEQWBRDQ-UHFFFAOYSA-N 367.405 1.584 0 40 FDAB CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 14135328 KDJQUIYDVWGSLI-CQSZACIVSA-N 367.858 1.844 0 40 FDAB O=C(NS(=O)(=O)c1cc(F)ccc1F)c1cccc2c1OCCO2 65643199 HMKFEBPURMBGEW-UHFFFAOYSA-N 355.318 1.855 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 5427118 HLRYXBVVOCELCJ-UHFFFAOYSA-N 366.425 1.712 0 40 FDAB CCCCn1c(N)c(N(CCOC)C(=O)C2CCCC2)c(=O)[nH]c1=O 14624652 OKTVEYUQFVZICO-UHFFFAOYSA-N 352.435 1.089 0 40 FDAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5689838 MHXCAOJEGRRMRX-JTQLQIEISA-N 363.395 1.502 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H]3CCCCNC3=O)CCC2)cc1 67481091 CHBCGEAOVCEOLO-HNNXBMFYSA-N 364.467 1.476 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2O1 7307222 JIWQJBXHXPXZKS-CQSZACIVSA-N 354.334 1.406 0 40 FDAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccncc1 19991155 URNJXTJWIHEIEM-FQEVSTJZSA-N 367.405 1.179 0 40 FDAB CN(C(=O)Cn1cc(Br)ccc1=O)C1CCC(CO)CC1 83855512 DYRSIXGOLPBWPA-UHFFFAOYSA-N 357.248 1.620 0 40 FDAB CC(C)Oc1ccc(C(=O)NCC(=O)NCc2nnc3ccccn23)cc1 18124282 RHYXBWYXLUONSW-UHFFFAOYSA-N 367.409 1.563 0 40 FDAB COc1cc(CC(=O)N2CCCC3(C2)OCCO3)cc(OC)c1OC 83921394 IQOUPVIRJPRDQL-UHFFFAOYSA-N 351.399 1.620 0 40 FDAB Cn1ccnc1CN1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972364 MCSWQYGNBVZOIV-CYBMUJFWSA-N 359.396 1.091 0 40 FDAB COc1ccc(Cl)cc1/C=C/C(=O)N1CC(n2cc(C(N)=O)nn2)C1 95997868 XTRIUMYBWHQUQI-GORDUTHDSA-N 361.789 1.136 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)NCCc1cnn(-c3ccccc3)c1)CC2 89740880 MFGDGAPRVFUZPK-MRXNPFEDSA-N 350.426 1.694 0 40 FDAB COCCN1C[C@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O 75613653 IDIMUWXPHAMYHF-GOSISDBHSA-N 373.497 1.305 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1 408957728 VPRFYICDFQHRRI-FIYPYCPBSA-N 371.389 1.483 0 40 FDAB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(CC(F)F)C3)ccc2c1=O 520544671 ZODXTFCUOVIEIA-NSHDSACASA-N 366.368 1.191 0 40 FDAB COc1ccc(OC[C@H](O)CN2CCN(CCN3CCCC3)CC2)cc1 60625452 MCAUQPSWXZKJLG-GOSISDBHSA-N 363.502 1.148 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCc1ccccc1 72405660 ZLTLZGKGBJBYGH-MRXNPFEDSA-N 361.467 1.832 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O 36386329 YOXCUJOAYMPRPI-MEDUHNTESA-N 350.444 1.637 0 40 FDAB O=C1N[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72347566 OWLXJNAUOUKASB-LJQANCHMSA-N 363.377 1.484 0 40 FDAB Cc1noc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)n1 72392133 QVFPEYMYAAJYKF-UHFFFAOYSA-N 350.400 1.271 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1 40105111 CETADDOXPXTUQT-UHFFFAOYSA-N 354.472 1.874 0 40 FDAB CN([C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1)S(C)(=O)=O 223500378 ZRDAXPBQEVAHRC-OAHLLOKOSA-N 361.423 1.357 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@H]2COc3ccccc3O2)C1 225807757 WNYKTBLVRIOVCD-IUODEOHRSA-N 357.366 1.305 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)NCCCc1cnc2ncnn2c1 225646314 RVDQYALKSMAGBC-UHFFFAOYSA-N 365.846 1.997 0 40 FDAB COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3cccnc3)C[C@H]2C1 85436058 PNLYGWCVCOLEDC-MRXNPFEDSA-N 366.421 1.852 0 40 FDAB biogenic,in-vitro CC(=O)N(C[C@@H]1CCCN1S(=O)(=O)c1cccc2c1OCC2)C1CC1 578183360 LKYGFWDYNYBYLL-INIZCTEOSA-N 364.467 1.786 0 40 FDAB Cc1cc(=O)c(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c[nH]1 96117628 QMIJDDMSOYIMSB-VMPITWQZSA-N 367.449 1.920 0 40 FDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 579686241 FMSFUWANAUXXQN-CQSZACIVSA-N 371.393 1.184 0 40 FDAB Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc(S(N)(=O)=O)s1 580576864 VMNSVXHBWDSJGI-SECBINFHSA-N 356.429 1.233 0 40 FDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)cn1 96042776 RTCPNKAOAQGAMS-RCCFBDPRSA-N 355.442 1.111 0 40 FDAB CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3cnc[nH]3)c2C)C1=O 585138438 QAZOXPUAOUYNBM-UHFFFAOYSA-N 363.399 1.307 0 40 FDAB O=C(NCCO)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037688 KOIXJQCGDWFSKU-UHFFFAOYSA-N 355.442 1.677 0 40 FDAB C[C@H]1C(=O)[C@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@@]4(C)[C@H]2[C@@H](O)C[C@H]1[C@H]3O 95100262 GPITUBGISIVOSF-OPRLOCMCSA-N 352.471 1.118 0 40 FDAB O=C(CCN1C(=O)c2ccncc2C1=O)N1CCO[C@@H](c2ccccc2)C1 95473769 NBOVOVNVKWBIJX-QGZVFWFLSA-N 365.389 1.668 0 40 FDAB CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cncn21 248146795 VZKQMKOXBOMRKR-CYBMUJFWSA-N 354.863 1.844 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3c(C)noc3C)C2)ncn1 257289737 PZZHPHJRLKGRPE-GOSISDBHSA-N 359.430 1.493 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cscn3)cn2)CC1 257270307 MTQFOHRVTCNWEU-UHFFFAOYSA-N 359.455 1.664 0 40 FDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 257271673 MZHPFAIJIGNWIE-ZDUSSCGKSA-N 354.410 1.925 0 40 FDAB Cc1c(CCC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)cnn1C 257246635 IVASCCWQJQYZQJ-IBGZPJMESA-N 357.458 1.204 0 40 FDAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 253401500 NBTDPIOXOGJSIH-HNNXBMFYSA-N 369.462 1.006 0 40 FDAB biogenic,in-vitro C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CCN21 253394974 BLTJDQILMNQFQH-IRLDBZIGSA-N 371.525 1.956 0 40 FDAB biogenic,in-vitro Cn1cnc([C@@H]2CN(Cc3cn(C4CCC4)nn3)C[C@H]2C(=O)NC2CC2)c1 1614995977 SDFCBKDLJFIJID-IAGOWNOFSA-N 369.473 1.231 0 40 FDAB CC1(C)CCc2cc(CC(=O)N3CCN(S(C)(=O)=O)CC3)ccc2O1 606675122 OIFAKVOIPJCLCM-UHFFFAOYSA-N 366.483 1.437 0 40 FDAB Cc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)nc(-c2ccccn2)n1 624422904 KMIWYRVIWFCINX-HZPDHXFCSA-N 352.398 1.209 0 40 FDAB Cn1nc(-c2ccccc2NC(=O)c2ccc(-n3cccn3)nn2)ccc1=O 96025155 KJTQDVICCHLISP-UHFFFAOYSA-N 373.376 1.675 0 40 FDAB Cn1c(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c(Cl)c2ccccc21 643432635 WRAFTCTWZZLIEP-NSHDSACASA-N 370.814 1.156 0 40 FDAB C[C@H]1CC[C@H](NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)CS1(=O)=O 659558297 YEMGKVFTPWVDHB-YEAFPTKASA-N 369.531 1.405 0 40 FDAB C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCCC1CCS(=O)(=O)CC1 660969783 CLDFZZDXMWBIGQ-CMPLNLGQSA-N 372.409 1.563 0 40 FDAB CCNC(=O)c1ccc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)nc1 664340400 YXCLXBCISYBTRT-YJBOKZPZSA-N 353.426 1.858 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]1c1ccnn1C 666238221 ZVSQLFVUJMSZKP-YOEHRIQHSA-N 359.430 1.675 0 40 FDAB COc1ccc(CN2CCc3oc(C(=O)N4CC[C@H](OC)C4)nc3C2)nc1 585112470 PYMPJHVHKCOMGM-HNNXBMFYSA-N 372.425 1.497 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(F)C3)C[C@H]2O1)NCc1cccnc1 585109167 BTFNCPGNTKVPSH-SSNHOHEISA-N 361.417 1.452 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccncc2OC)C1 585123245 KXHLUAGMWIQDST-STQMWFEESA-N 370.475 1.122 0 40 FDAB CCOc1ccc(NC(=O)C(=O)[C@H]2C(=O)Nc3ccccc3[S@]2=O)cc1 5834537 WSIBVDIYOZHPHF-QMTYFTJSSA-N 372.402 1.721 0 40 FDAB CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](C(=O)NCc3cccs3)O[C@@H]2O1 11851684 RLNWDZPIVGNOKU-HYFYGGESSA-N 369.439 1.761 0 40 FDAB COc1cccc(CNC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146667 FGVKJYCASSWYEG-UHFFFAOYSA-N 354.366 1.411 0 40 FDAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)COC 12182519 CTWIMOGSOSGTRS-GFCCVEGCSA-N 351.353 1.730 0 40 FDAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 17076406 HTSWKCQLFDXXHD-URBCHYCLSA-N 373.331 1.371 0 40 FDAB CC[C@H](c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1 19500641 GFWZJSORRYRAHN-QGZVFWFLSA-N 374.489 1.597 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19502013 NQUHMJFFFHSEEE-XLPNERPQSA-N 360.410 1.370 0 40 FDAB O=C(CSc1ncnc2nc[nH]c12)N1CCN(Cc2ccccc2)CC1 19723128 GYFPOPNZGUUPEW-UHFFFAOYSA-N 368.466 1.789 0 40 FDAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)COC)C2 643575435 FFKTXXGJGLCYQS-UHFFFAOYSA-N 364.442 1.739 0 40 FDAB CSCC[C@@H](C(=O)O[C@@H]1CCOC1=O)N1C(=O)c2ccccc2C1=O 3289336 BZKFGRNXEYERHW-QWHCGFSZSA-N 363.391 1.263 0 40 FDAB Cc1nc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)c2cnn(C)c2n1 1888856473 AQMXNVRKZXRQFK-CYBMUJFWSA-N 360.487 1.464 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccc(F)cc5)C[C@H]4C3)nn12 1888890376 GKPJZJBNYCJXLJ-HUUCEWRRSA-N 366.400 1.780 0 40 FDAB COc1ccc2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)ccc2c1 1889139330 DLZMCBAHMYADAQ-QGZVFWFLSA-N 357.410 1.307 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)[C@@]1(C)CC=CCC1)OC2 1565546714 IVYOJZOJLKXGHX-DJJJIMSYSA-N 360.458 1.852 0 40 FDAB COc1cc(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)on1 1565554348 PFAQICXTVISODP-OWCLPIDISA-N 373.409 1.915 0 40 FDAB O=C(Nc1nnc(C2=COCCO2)o1)c1cccc(N2C(=O)CCC2=O)c1 4264434 YZHOSCULTZXBSN-UHFFFAOYSA-N 370.321 1.321 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1 7418845 WQFWJHLIIDKJSZ-UHFFFAOYSA-N 353.338 1.553 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2c(C)noc2C)CC1 2055704308 HHPNZXPXGZINOV-UHFFFAOYSA-N 361.446 1.242 0 40 FDAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 2055750740 VITFUBXYCUWCRG-FUHWJXTLSA-N 372.425 1.882 0 40 FDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccncc1 23107304 XLNNANYISGVVIN-KRWDZBQOSA-N 372.400 1.349 0 40 FDAB COCC(=O)N1CCCc2ccc(NC(=O)c3cccn(C)c3=O)cc21 49505783 FJAWWKNCQROHHA-UHFFFAOYSA-N 355.394 1.563 0 40 FDAB COC(=O)c1c(SCC(=O)NC2CCCCCC2)nc(=O)[nH]c1C 31618288 YSIIYMBUXSUABE-UHFFFAOYSA-N 353.444 1.796 0 40 FDAB Cc1cccc2nc(CSc3n[nH]c(=O)n3C[C@H]3CCCO3)cc(=O)n12 21099982 FSZCEVRXIALIPP-CYBMUJFWSA-N 373.438 1.359 0 40 FDAB CCC(CC)c1nnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 21301073 CZNOZHFNQSCVMR-UHFFFAOYSA-N 361.431 1.524 0 40 FDAB CCC[C@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 46800062 PHUVWPWCTQLYLI-AWEZNQCLSA-N 363.457 1.100 0 40 FDAB CCOc1cc(S(=O)(=O)N(CC)CC)c(OCC)cc1-n1cnnn1 1325323 RIGNJJBWNAHLSV-UHFFFAOYSA-N 369.447 1.490 0 40 FDAB O=C(C1CCOCC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 22901574 LDKSIFBXORSFOU-UHFFFAOYSA-N 362.455 1.869 0 40 FDAB Cc1ccc(C)c(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 6636991 DAHFZELUQCUHPC-UHFFFAOYSA-N 360.801 1.587 0 40 FDAB COc1cccc(C(=O)NC[C@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)c1 107430644 WMUSGAJQFRJRFA-OPVJXMOQSA-N 372.421 1.401 0 40 FDAB biogenic,in-vitro CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 8253914 OKTGAMBNGFVROX-XYPHTWIQSA-N 354.458 1.326 0 40 FDAB biogenic,in-vitro CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)c1 83884178 MBCQQIHZXYLLFZ-QGZVFWFLSA-N 373.434 1.404 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NC1=NCCS1 43765098 DDNLNNSOQAKAKC-UHFFFAOYSA-N 363.464 1.727 0 40 FDAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCOCC1 25969019 LANYZHJZUYFJGG-CQSZACIVSA-N 352.456 1.406 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 26280239 OKQXKXOXWRHRRE-UHFFFAOYSA-N 369.531 1.926 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2ccccn2)C1 57920468 HZJLOABNUTYCGC-HNNXBMFYSA-N 362.474 1.935 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)Cn2nnc(-c3ccccc3)n2)cc1 58195899 BNIDQKQKYFACFW-OAHLLOKOSA-N 354.366 1.567 0 40 FDAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 52410648 VSYJAVOKVUXNAT-UHFFFAOYSA-N 354.476 1.400 0 40 FDAB O=C(c1cnc2sccn2c1=O)N1CCN(Cc2cccc(F)c2)CC1 28233130 QWTNRYQOYJQXLT-UHFFFAOYSA-N 372.425 1.853 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)NCc1ccc2c(c1)OCO2 12683548 PLZHCIAAOSEYOZ-UHFFFAOYSA-N 365.183 1.656 0 40 FDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2 57535267 CCLACQNSZHZXAI-UHFFFAOYSA-N 371.393 1.447 0 40 FDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 36614768 GYAPTUWFIJCODM-UHFFFAOYSA-N 371.413 1.801 0 40 FDAB NC1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 36753763 SPFBIKWAGVBODP-UHFFFAOYSA-N 366.224 1.403 0 40 FDAB in-vitro COC(=O)c1cccc(C)c1NS(=O)(=O)c1cccc(-n2cnnn2)c1 60165926 YMMSPGGCWMHLEN-UHFFFAOYSA-N 373.394 1.558 0 40 FDAB CCOC(=O)N1CCN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CC1 48387098 CIXZWSIDELGTQE-UHFFFAOYSA-N 364.402 1.960 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(c2ncccn2)CC1 12824522 LEYFUVPJMSUTQN-LSDHHAIUSA-N 355.442 1.679 0 40 FDAB O=C1O[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2ccccc21 12817857 QPWLCOYQQDPGFU-MRXNPFEDSA-N 354.362 1.346 0 40 FDAB Cc1ccc(NC(=O)CN2CCCC[C@H]2CNS(C)(=O)=O)cc1Cl 12979534 FCZLMCVQLGMPMF-AWEZNQCLSA-N 373.906 1.991 0 40 FDAB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)o1 48985585 QAPCTNBWDYDHOC-GFCCVEGCSA-N 354.370 1.688 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)O)CC3)ccc21 13299971 REQITEZXERIJKK-UHFFFAOYSA-N 366.439 1.471 0 40 FDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2N)[nH]n1 9015163 SAKMHXDKAQZLCY-UHFFFAOYSA-N 364.822 1.470 0 40 FDAB CCOC(=O)c1ccoc1COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 9032652 WNGVBHOOOYNDEF-UHFFFAOYSA-N 372.333 1.203 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4495957 MBYXKNMNBASAAQ-LBPRGKRZSA-N 357.341 1.454 0 40 FDAB COCCNc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1 6427869 GZRGHIYZJKUFNQ-UHFFFAOYSA-N 364.452 1.985 0 40 FDAB COCC[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)C(N)=O 97034155 SPNCCLFNEHCRAN-GFCCVEGCSA-N 367.402 1.272 0 40 FDAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC[C@H]1CCCO1 14181419 CBOABKMIWQGVGC-ZWNOBZJWSA-N 351.407 1.577 0 40 FDAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 5578544 CSRQZOMJWZZFHY-LLVKDONJSA-N 353.831 1.751 0 40 FDAB O=C1OCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14914193 AYMANLCQCFWMQF-VIFPVBQESA-N 350.849 1.023 0 40 FDAB COc1ccccc1CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7136959 YEUYVRLEYVTPHW-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB COc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1OC 7251521 QJPKXFZKNMBAKN-UHFFFAOYSA-N 355.354 1.697 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7676019 ZJNZEKMFRPPOEE-UHFFFAOYSA-N 369.352 1.878 0 40 FDAB COC(=O)c1ccc(Cl)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 8771254 POXDQHKHKKUZKD-UHFFFAOYSA-N 372.768 1.870 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 95430231 KUQFCOYDXHYSAR-NVXWUHKLSA-N 350.459 1.515 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCN2C1=O 75106172 PGQQRCHRTDAYDV-MRXNPFEDSA-N 354.410 1.893 0 40 FDAB Cn1c(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc(=O)n(C)c1=O 2301739 DOIINXUGESLDNX-UHFFFAOYSA-N 362.230 1.089 0 40 FDAB biogenic Cc1ccnn1CCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524734129 ZQQBLMDZSNUOED-ZSZQSSIHSA-N 354.410 1.418 0 40 FDAB O=C(NCCc1ccc(O)cc1)c1c(-n2cnnn2)sc2c1CCC2 524732652 SSKFCLJLEFHBCG-UHFFFAOYSA-N 355.423 1.891 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1CCCCC1 72402313 PAKKKZHKXVYGDC-AWEZNQCLSA-N 360.462 1.146 0 40 FDAB Cc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72378819 TUQCWPSILBFLHJ-OAHLLOKOSA-N 372.454 1.835 0 40 FDAB O=c1cc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)nc2ccccn12 40009499 UAHCPXFWNOEAOE-HNNXBMFYSA-N 373.434 1.477 0 40 FDAB CCOC(=O)N(C)CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 48094554 RUMIOKYKYSSOFV-MRXNPFEDSA-N 367.421 1.404 0 40 FDAB NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 40400351 NMTQQLVNQHKMTJ-QMMMGPOBSA-N 367.287 1.443 0 40 FDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCn2c1nc1ccccc12 85472749 XNJDLZRSXAKCDC-ZDUSSCGKSA-N 354.410 1.410 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)O 49550144 JSNZFSOZHJIKPE-DIFFPNOSSA-N 361.373 1.665 0 40 FDAB CC(C)[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCO1 331678223 TVMNVMPDIDPBCW-JTQLQIEISA-N 355.382 1.875 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 96047132 YMLKLBWNMRYBOF-HXUWFJFHSA-N 365.437 1.569 0 40 FDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(C(=O)c2ccsc2)CC3)cn1 96059518 RRYSCUISPNJOQN-UHFFFAOYSA-N 370.438 1.264 0 40 FDAB Cn1cc(N2CCN(CC3CC3)C3(CCN(C(=O)C4CC4)CC3)C2=O)cn1 96230341 UMCIRBYQIMINGB-UHFFFAOYSA-N 371.485 1.250 0 40 FDAB Cc1cccc(N2CCOC[C@@]3(C2)CN(c2cccnc2)C(=O)CO3)n1 96240149 RLNCBSIMJOXDTN-LJQANCHMSA-N 354.410 1.424 0 40 FDAB CC(C)C(=O)N1CCN(Cc2ccc(F)cc2)C[C@]2(CC(=O)N(C)C2)C1 96036056 HMSGZCIUCYNXSJ-HXUWFJFHSA-N 361.461 1.974 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1scnc1C)C2 248066854 XFAKLWZCEUYSRL-ZDUSSCGKSA-N 359.517 1.372 0 40 FDAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCCC2)n1 604382118 FMEAJRGLIXJNMI-NCXUSEDFSA-N 363.502 1.488 0 40 FDAB biogenic,in-vitro CCn1nccc1-c1cccc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257331901 XUTKZZVPYFYUQS-CQSZACIVSA-N 363.487 1.636 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)Cn1cc(C)cn1 257276622 NUNLASLUWFFELY-INIZCTEOSA-N 356.430 1.290 0 40 FDAB O=C(CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O)N1CCCC1 257327781 XCSMJCSDSCIPSL-MJGOQNOKSA-N 371.481 1.313 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H]1CCCO1 260741151 GYNGMUKHHHCQEI-HZPDHXFCSA-N 370.471 1.535 0 40 FDAB O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCO[C@@H]1c1cccnc1 276569882 BEUBCPIUYGJJIM-SOLBZPMBSA-N 353.426 1.734 0 40 FDAB CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cn(CC2(C)COC2)nn1 648015153 HLKQAEJOTRFCIQ-INIZCTEOSA-N 369.469 1.838 0 40 FDAB C[C@@H]1C[C@@H]1c1nnc2ccc(=NCCOc3ccc(C(=O)O)cc3)[nH]n12 649401138 UYIALMSEDHOXFY-RISCZKNCSA-N 353.382 1.859 0 40 FDAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2)C(=O)C1)c1ccccc1 680926452 ZHDOOYJFLXNIEP-KRWDZBQOSA-N 366.421 1.662 0 40 FDAB CSc1ccc([C@H](O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 96103134 IUVQUGFBKVIJHX-OAHLLOKOSA-N 372.512 1.230 0 40 FDAB Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCC3)C2)ccc1F 585283148 QIYVOGGZSLFRCY-IBGZPJMESA-N 353.434 1.881 0 40 FDAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)CCn2nnnc2C)C1 585276623 OLHQOWSNHICOEE-GOSISDBHSA-N 359.430 1.377 0 40 FDAB CCCS(=O)(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096636 WZHXIUMEPQPPEP-GFCCVEGCSA-N 366.443 1.523 0 40 FDAB Cc1ccnc(OC[C@@H]2Cc3c(ncn3C)CN2C(=O)c2cocn2)n1 585094678 GYNZTHVMRYXHHO-LBPRGKRZSA-N 354.370 1.153 0 40 FDAB CCOC(=O)N1CCC(O)(CN2CC[C@H]3[C@@H]2CCCC(=O)N3CC)CC1 585283219 LZUYVWARXNLPLG-HOTGVXAUSA-N 367.490 1.445 0 40 FDAB CNc1ncc(CN2C[C@@H](OC)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1 585291673 RILHJOYONZUYPL-NLWGTHIKSA-N 354.454 2.292 0 40 FDAB CCOC(=O)C1=C(CN2CCC[C@H]2C(=O)Nc2ccccc2)NC(=O)NC1 26930749 XLDUKOOQVFUDQC-INIZCTEOSA-N 372.425 1.220 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(C)ccc1O)C2=O 680321457 PLPSDCWNZXCEJC-UHFFFAOYSA-N 360.414 1.925 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCCN([C@H]2CCOC2)CC1 1565522022 APGOKQXQFJATMN-LBPRGKRZSA-N 368.484 1.177 0 40 FDAB CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 84638305 MRZBDYPIKGCRGU-LPHOPBHVSA-N 351.466 1.467 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1Cl 12886046 ZLMWYSRRTJGXBL-LLVKDONJSA-N 365.282 1.729 0 40 FDAB O=S(=O)(Cc1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1 19372740 XOZOMKNXGJPIMW-UHFFFAOYSA-N 372.494 1.832 0 40 FDAB CN(C)c1ncc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cn1 19585548 YDPQZSLVUFIUCK-UHFFFAOYSA-N 369.473 1.175 0 40 FDAB COCCn1cc(NS(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)cn1 516770316 DTAFWQOFFXGPIB-UHFFFAOYSA-N 357.363 1.476 0 40 FDAB O=C(O)c1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)ccc1O 633138172 CPSPHTXLFSUXGQ-KRWDZBQOSA-N 356.378 1.930 0 40 FDAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)nn1C 12229189 YDACATQXWUKRKP-UHFFFAOYSA-N 361.471 1.908 0 40 FDAB Nc1ccc(Br)cc1C(=O)OCC(=O)NC[C@@H]1CCCO1 4246397 XKBBDBUMSDGNMZ-JTQLQIEISA-N 357.204 1.483 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n1 2037716148 BYBXDNFCVWBTOX-QGZVFWFLSA-N 354.410 1.635 0 40 FDAB Cc1cccc(CN2C(=O)CCC23CCN(S(=O)(=O)C2CC2)CC3)n1 1259272495 XJGLPLQBKVRCCR-UHFFFAOYSA-N 363.483 1.839 0 40 FDAB Cn1cncc1C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1657439950 ZREFCIJNGMGHID-UHFFFAOYSA-N 363.468 1.993 0 40 FDAB Cc1ncnc(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)c1C 1565554749 YZAGUYSTQAZTKI-UHFFFAOYSA-N 355.446 1.327 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1F 1565522763 OZSXRTBERLICSX-AWEZNQCLSA-N 372.462 1.710 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)cn1 2055750697 QTVHAQYZFANJJF-RTBURBONSA-N 370.453 1.974 0 40 FDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C(=O)NC[C@H]1C(C)(C)C 585149732 KPWSXNINTVMKOR-MCIONIFRSA-N 367.490 1.863 0 40 FDAB COc1cccc(CNC(=O)c2cc3c(CO)cnc(C)c3oc2=O)c1 575615882 KPRKNFPBBMXSEF-UHFFFAOYSA-N 354.362 1.927 0 40 FDAB O=C(Nc1nccs1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@@H]13)O2 9306567 MYRUJLQRUFUBIV-JRATXPSKSA-N 357.391 1.657 0 40 FDAB C[C@]1(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1(Cl)Cl 40043268 KMRZKWIUCMNHDT-CYBMUJFWSA-N 362.257 1.941 0 40 FDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 40017363 UIPWDHGMGDRUQA-AWEZNQCLSA-N 352.412 1.288 0 40 FDAB Cc1cc(N(C)C)ccc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 40111683 RRBDDZOBWYPBMA-UHFFFAOYSA-N 360.439 1.497 0 40 FDAB NS(=O)(=O)c1cc2c(cc1Cl)NC1(CCCCC1)NS2(=O)=O 40156510 CVEVMHNADDMHRG-UHFFFAOYSA-N 365.864 1.352 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102395597 DCTNHIWUTRPLND-CHWSQXEVSA-N 374.393 1.352 0 40 FDAB COc1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cn1 21734981 RSMNIQYYGSSTEO-ZDUSSCGKSA-N 358.350 1.203 0 40 FDAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22405599 GYZQZIXQLUVZQS-UHFFFAOYSA-N 371.422 1.444 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCCCc2ccccc2)C1 79940154 KQTFEDJUUUPDQF-DLBZAZTESA-N 366.483 1.607 0 40 FDAB O=C(NC1CC1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 12321143 MMNJQCKHCCEZOW-CQSZACIVSA-N 373.428 1.696 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NC3CCCCC3)nc2n1 3430849 HSOSNJIXNBCLPC-UHFFFAOYSA-N 362.459 1.992 0 40 FDAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCCCO 12391078 BQRMVGLFLJKLBX-UHFFFAOYSA-N 358.423 1.315 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNc3nnnn3C)o2)c1 7602327 BXWXEXYIMXHURU-UHFFFAOYSA-N 371.353 1.655 0 40 FDAB CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7786222 VQSGFTDRIUZWMJ-UHFFFAOYSA-N 368.455 1.496 0 40 FDAB Cn1c(=O)c2ccccc2n2c(COC(=O)Cc3ccsc3)nnc12 24695354 RULZKCHVOMRQTA-UHFFFAOYSA-N 354.391 1.929 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNc2cnn(C)c(=O)c2Cl)c1 47511072 KHYQIZPOFPDGHG-UHFFFAOYSA-N 370.862 1.441 0 40 FDAB CC(C)COC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 8816038 QJVRCDBKVLXGRC-QWHCGFSZSA-N 350.371 1.582 0 40 FDAB Cc1cc(N2CCN(C(=O)NCCn3ccnc3)CC2)nc(C(C)C)n1 43311668 QRBVTOXTJXZVLL-UHFFFAOYSA-N 357.462 1.637 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCC2)cc1 55408377 JVVGUUOCDYJLHY-IRXDYDNUSA-N 371.524 1.857 0 40 FDAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCC(C(=O)OC)CC2)c1 57993517 OXOWGEZQCKTSKV-MRXNPFEDSA-N 365.426 1.488 0 40 FDAB Cc1cnc(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cn1 57453671 LUUCSLBXRPYNER-GFCCVEGCSA-N 355.316 1.974 0 40 FDAB CCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12554723 JINLMBKUYGLOBD-UHFFFAOYSA-N 357.501 1.875 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 12544290 OHGSOMDJLNMFAN-UHFFFAOYSA-N 359.354 1.886 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 101659766 VNRZHLQHBOBDBQ-IHRRRGAJSA-N 352.398 1.238 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@]2(O)C=C[C@]3(C[C@@H]2C(=O)O)[C@@H]1C5 100393848 PHVHFUCWRHIUOT-SZWDRGFYSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro O=C(CNC(=O)c1ccccc1)Nc1ccc(CCN2CCOCC2)cc1 58182164 FCOHMMBUOFMNKD-UHFFFAOYSA-N 367.449 1.930 0 40 FDAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 2122745 UDAKMAZWEMRFFL-UHFFFAOYSA-N 372.421 1.767 0 40 FDAB biogenic CC(C)CN1CCO[C@H](CNC(=O)CNC(=O)c2ccccc2F)C1 28015490 FPIAMMZJKSFKTR-CQSZACIVSA-N 351.422 1.029 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2[C@@]2(Br)C=C[C@H]12 101045599 YRQQPLLKJDBYHM-BRXULGCHSA-N 358.195 1.786 0 40 FDAB O=C(COCc1cc(-c2cccs2)on1)NCCN1CCOCC1 20479903 YSWTUUOZDKTHOE-UHFFFAOYSA-N 351.428 1.368 0 40 FDAB Cc1c(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C)cnn1C 36614552 XKJHTYAERUMPNQ-UHFFFAOYSA-N 351.354 1.231 0 40 FDAB Cc1c(C(=O)O)sc2nc(SCC(=O)N3CCCC3)[nH]c(=O)c12 3372465 TUDGQTXGROJGEL-UHFFFAOYSA-N 353.425 1.706 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(N)=O)ccc1OC 59285812 MODVSEKXHOCMPH-UHFFFAOYSA-N 362.407 1.840 0 40 FDAB CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 29673050 MFBAJKODMBGYKY-UHFFFAOYSA-N 352.866 1.422 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2617230 OFSHFBBNFTZJNO-CQSZACIVSA-N 365.363 1.230 0 40 FDAB Cc1nnc(SCCOc2ccc(Br)cc2)n(N)c1=O 2659164 VKUMJJZSLMBXBK-UHFFFAOYSA-N 357.233 1.594 0 40 FDAB NC(=O)c1ccc(OCC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 64291305 HGXWICWKLPUUGI-UHFFFAOYSA-N 351.366 1.061 0 40 FDAB CCN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 6097776 ROIUXIFZUADXRX-GFCCVEGCSA-N 372.516 1.132 0 40 FDAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NN3CCCCCC3)C2=O)cc1 5026140 ZRVFHHQKRJVZKZ-DTQAZKPQSA-N 372.425 1.933 0 40 FDAB Cc1cc(-c2csc(NC(=O)Cn3ccc(=O)[nH]c3=O)n2)c(C)s1 14015120 KQPFOWNIZBSRNV-UHFFFAOYSA-N 362.436 1.977 0 40 FDAB O=C(Cn1cnc2ccsc2c1=O)c1c[nH]c(C(=O)N2CCCC2)c1 14110320 YZNDGPHIXYMIQX-UHFFFAOYSA-N 356.407 1.905 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)C[C@@H](C)O1 14128670 CHDVPXGEGKCDTQ-LAPQFRIASA-N 371.437 1.406 0 40 FDAB COC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 6510036 OXXUIOIKSFHPTP-UHFFFAOYSA-N 364.379 1.382 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1NC(=S)NCc1ccc2c(c1)OCO2 6647867 NIKPYNUGDCJKMW-UHFFFAOYSA-N 370.390 1.037 0 40 FDAB Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 18515558 PZSDVINRPBANBE-SNVBAGLBSA-N 357.432 1.164 0 40 FDAB CNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCc3ccccc32)cc1 83881831 XYNIDSGAGNUCSB-UHFFFAOYSA-N 352.394 1.182 0 40 FDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 95965181 AAFYQKNRMAKPRW-TZMCWYRMSA-N 365.865 1.480 0 40 FDAB C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C 89237989 USKSGRJIUYBYME-GOEBONIOSA-N 374.485 1.780 0 40 FDAB COCCOC1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C1 75093726 CXUNWPQOMMGIIR-UHFFFAOYSA-N 363.819 1.163 0 40 FDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 76094120 QSVXZGWKBFKEOR-NWDGAFQWSA-N 350.481 1.429 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 24724410 JEZQNXNQFKYGOM-MRXNPFEDSA-N 357.410 1.609 0 40 FDAB Cc1noc(C)c1CN1C[C@@H]2OC[C@H](CCOCC(=O)N(C)C)[C@@H]2C1 306130366 JDWDDNINRHZNBU-XIRDDKMYSA-N 351.447 1.233 0 40 FDAB Cn1c(CN2CC3(CCOCC3)CC[C@H]2CO)nc2ccccc2c1=O 528643485 YOFRPUZPADUBFZ-HNNXBMFYSA-N 357.454 1.687 0 40 FDAB O=C(O)CN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)C1CCOCC1 531748231 VMWCLZWECPGCGT-CQSZACIVSA-N 360.410 1.670 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)COc2coc(C)cc2=O)n1 71286733 COPWMXOKXSAEIQ-UHFFFAOYSA-N 352.368 1.528 0 40 FDAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)Nc1nn[nH]n1 1565524805 OLPUHFDXQFVWEZ-UHFFFAOYSA-N 358.427 1.450 0 40 FDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217496069 YCXGVBZPBRQTNW-NSHDSACASA-N 368.411 1.903 0 40 FDAB COc1cccc2c1CCN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C2 182532010 FCPRXEBGUSGDRL-CYBMUJFWSA-N 371.359 1.926 0 40 FDAB COc1ccc(N(C)S(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cn1 329641895 YBTZIQOWGRGBIM-UHFFFAOYSA-N 373.434 1.751 0 40 FDAB CN(Cc1cccc(Cl)c1)C(=O)CCn1cnc2c(cnn2C)c1=O 40033561 LLAINTKWIJSEDH-UHFFFAOYSA-N 359.817 1.832 0 40 FDAB COc1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225875249 XSVXJOHOBXWKCD-KRWDZBQOSA-N 362.451 1.944 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4ccncc4)CCO3)C2)no1 96209237 KOFOLGNYYKFMHG-QFBILLFUSA-N 356.426 1.932 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(C(=O)c3ccsc3)C[C@@H]12 96057198 GYGPTHYEPZOSMX-KFWWJZLASA-N 352.456 1.235 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccsc1)CC2 247840238 KQRNADWRMHPGFV-AWEZNQCLSA-N 372.512 1.508 0 40 FDAB O=C(CN1Cc2ccnn2[C@@H](COCc2ccccn2)C1)N1CCCC1 247758515 FZRWCOPAUJBUOC-GOSISDBHSA-N 355.442 1.474 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)s1 248087891 KRQKZUHVWWRKIO-ZDUSSCGKSA-N 354.501 1.434 0 40 FDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248092349 FTNVFNNPXNKUAM-AWEZNQCLSA-N 356.430 1.458 0 40 FDAB CCNc1cnc(-c2noc([C@H]3CC(=O)N(c4nccs4)C3)n2)cn1 585084894 JMKBMMOBPQLUOH-VIFPVBQESA-N 357.399 1.935 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cn1 257333203 YAPUWLYROPTBIS-LJQANCHMSA-N 374.462 1.988 0 40 FDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3ccc4ncccc4c3)C2)CC1 257301848 SAFJVEDWPHNVAJ-HXUWFJFHSA-N 354.454 1.059 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCn1cnc2ccsc2c1=O 253472347 LLZVHENFQHGBOU-UHFFFAOYSA-N 354.413 1.041 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 253407483 JXFSVVZTMWCWLR-ZIAGYGMSSA-N 368.389 1.602 0 40 FDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)Cc3cccnc3)C2)ncn1 257301748 RZURIFMATQPFIS-IBGZPJMESA-N 355.442 1.212 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1OC 257335171 YIYFELHBPLROCH-QAPCUYQASA-N 356.426 1.655 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)[nH]1 257207348 BHIKNUVVCONRGN-GFCCVEGCSA-N 356.430 1.277 0 40 FDAB O=C(COc1ccc2c(c1)C(=O)CC2)N[C@@H](Cc1ccc(O)cc1)C(=O)O 256028228 ZIAJIBINIWULGC-KRWDZBQOSA-N 369.373 1.712 0 40 FDAB CSc1ncc(C(=O)N2CCCC2)c(N2CCC[C@H](C(=O)O)C2)n1 260679425 MKYGXDPKMQQTBS-NSHDSACASA-N 350.444 1.736 0 40 FDAB Cc1nccn1Cc1cn(CC(=O)N[C@H]2CCOc3ccccc32)nn1 640843640 LBRXUWQMOJTGJP-INIZCTEOSA-N 352.398 1.471 0 40 FDAB C[C@@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)n1cnc2c(N)ncnc21 668812985 VLMFEXJLBSKSKM-JSGCOSHPSA-N 367.413 1.182 0 40 FDAB CCC1(O)CN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 670411340 SIXXXBUDCHMVTK-INIZCTEOSA-N 360.454 1.677 0 40 FDAB CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)COc1cccnc1 671619980 MTNZAUBYLWWQJJ-HNAYVOBHSA-N 357.458 1.735 0 40 FDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CCC(F)(F)C1 684565858 MAUZJADONRQQGZ-INIZCTEOSA-N 365.424 1.882 0 40 FDAB CN1C(=O)C[C@H](C(=O)NCc2nc3ccccc3[nH]2)[C@H]1c1nccn1C 1775960943 VEIGWURKYPESIC-ZBEGNZNMSA-N 352.398 1.132 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1cccc(C(C)(C)C)c1 25029162 WOASNILFAHCNEI-OAHLLOKOSA-N 362.426 1.253 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c2ncccc12 654772706 PRPSCEIDKLERLC-UHFFFAOYSA-N 350.396 1.729 0 40 FDAB O=C(COc1ccc(F)cc1Cl)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942425 PXWGJHTVZAFRFN-GXTWGEPZSA-N 355.753 1.544 0 40 FDAB NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 5151567 UYPCTRVKWMBITC-UHFFFAOYSA-N 366.768 1.923 0 40 FDAB CC(C)n1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cn1 12220644 NKVGAFHHTCYMED-UHFFFAOYSA-N 356.430 1.289 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 12605515 JZLDNXCNALCJJB-UHFFFAOYSA-N 355.393 1.589 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)c1 17074225 GXLSGIGXNYFEDT-CQSZACIVSA-N 360.414 1.373 0 40 FDAB CCc1nc(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)no1 19523187 HGLXRMUVSQEWIQ-SNVBAGLBSA-N 364.427 1.408 0 40 FDAB CCN(CC)C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 19526235 LRJBOAWCFGQSCF-UHFFFAOYSA-N 366.425 1.743 0 40 FDAB COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19752341 DWZTVQNZPCBYID-MRXNPFEDSA-N 361.490 1.621 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)Cn5cccn5)C[C@H]4C3)n1)CCC2 1888867051 HFLUZZAZDWKIOH-GJZGRUSLSA-N 352.442 1.065 0 40 FDAB COc1nccnc1N(C)CC1CCN(c2ccc3nncn3n2)CC1 1888875974 XSCYCPOKTKYEKA-UHFFFAOYSA-N 354.418 1.276 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5F)C[C@@H]4C3)ncnc21 1888909510 KUDDHMSSINMCSS-STQMWFEESA-N 366.400 1.711 0 40 FDAB Cc1ccc(-c2cc(C(=O)OCc3nc(N)nc(N(C)C)n3)[nH]n2)cc1 21753111 YOEHTLPSHAPDAH-UHFFFAOYSA-N 353.386 1.575 0 40 FDAB O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 1614948556 NDZVAYZESHZKCG-GFCCVEGCSA-N 353.386 1.312 0 40 FDAB O=C(Cc1ccc(F)cn1)NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1 1614931983 IGRJVDQSNDINHU-CQSZACIVSA-N 357.345 1.330 0 40 FDAB CC(C)N(C)CC(=O)N1CC[C@H]2C[C@@H](C(=O)NCc3ccco3)O[C@@H]2C1 1565544976 BFNYLCDBIRSQSI-BHYGNILZSA-N 363.458 1.242 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 4717942 KBHHTOSFOTZBJL-CABCVRRESA-N 367.336 1.386 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC2CCCCCC2)n1 9037343 XRWSWNOREPLXAW-UHFFFAOYSA-N 372.429 1.350 0 40 FDAB COCCCNC(=O)Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 9327602 PZLHJXIBHZRSMQ-UHFFFAOYSA-N 374.828 1.969 0 40 FDAB COc1ccccc1CCNC(=O)c1nc(Cn2cc(Cl)cn2)no1 12371756 KZLQTAYPBLGJIA-UHFFFAOYSA-N 361.789 1.949 0 40 FDAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178467 SMRSCAQAXDAKQP-SFHVURJKSA-N 359.470 1.625 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cc(C)on2)CC1 2055751018 ZAYFIGWKEPCWFJ-UHFFFAOYSA-N 372.425 1.825 0 40 FDAB Cc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)cc1C 22997012 HSHOHKOHYZZMLT-KRWDZBQOSA-N 363.458 1.397 0 40 FDAB Cc1ccc(NC(=O)CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 2086869110 SPRMWRMMGDIHNI-OAHLLOKOSA-N 351.472 1.480 0 40 FDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1 35597548 WBJSCMWSTGSQNV-CYBMUJFWSA-N 364.423 1.792 0 40 FDAB Cc1nc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cs1 575613118 PPYKAIJKDJYUEA-UHFFFAOYSA-N 370.431 1.522 0 40 FDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1cnc(O)c(Cl)c1 244975223 IHBFPCLCLYWICY-UHFFFAOYSA-N 373.804 1.409 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 19348026 JOVVCXUGGQMKJZ-CQSZACIVSA-N 368.416 1.483 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cc1 75155777 FLYLFUFBDNQBIO-HXUWFJFHSA-N 368.389 1.362 0 40 FDAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3cn(C)nc3C)[C@H]2C1=O 103508115 QWJNWUDAYXXSQH-UKRRQHHQSA-N 358.785 1.983 0 40 FDAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)ccc1O 40119455 ODEAYBLXAIYOCP-UHFFFAOYSA-N 364.379 1.938 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 41166133 SIKCRZMQEHDADV-MAZHCROVSA-N 354.447 1.717 0 40 FDAB CCOc1ccc2nc(SCc3cc(=O)n4nc(N)[nH]c4n3)[nH]c2c1 103772520 KZZCIOYSJIIPSY-UHFFFAOYSA-N 357.399 1.567 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N(C)C)CC2)cc1F 23249271 BLWAJOWAJBMFQX-CQSZACIVSA-N 350.438 1.167 0 40 FDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12C(=O)N(C)c1ccccc12 989174 WBDNPGWFISZCIC-LJQANCHMSA-N 372.377 1.111 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)COc2ccccc2C)C1 55695062 BKDKYCRJGDBZRQ-JKSUJKDBSA-N 368.499 1.940 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 23983421 FNYWXFJJBLSDNM-CYBMUJFWSA-N 354.428 1.473 0 40 FDAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(C)nc2)CC1 24131487 XICYEAYWIGNJSA-UHFFFAOYSA-N 369.421 1.904 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)n2C1 8706120 JCHQDTPHERLIOF-UHFFFAOYSA-N 366.425 1.388 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 24887014 XJVFWGRGMAVNIE-UHFFFAOYSA-N 365.455 1.645 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H]1c1ccncc1 12522978 KRTHNDXHQGAFAM-INIZCTEOSA-N 364.405 1.839 0 40 FDAB Cc1ccc(Cl)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c12 100909093 ABTALRPOIDNJKB-ICFOKQHNSA-N 351.815 1.778 0 40 FDAB Cn1cc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)n2)cn1 72310314 ANKOVIARQOIYHS-SNVBAGLBSA-N 367.331 1.831 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 58183028 HVJINOFXKVBNCW-UHFFFAOYSA-N 370.413 1.135 0 40 FDAB CS(=O)(=O)CCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 58168598 VHRJISGNEYYAEZ-LJQANCHMSA-N 372.446 1.721 0 40 FDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCC[C@@H]1CCCO1 58215362 FJBAHROLBQNKLF-JTQLQIEISA-N 351.794 1.623 0 40 FDAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@H]2C=CS(=O)(=O)C2)CC1 101509852 RUPBDMLPWKLRSD-MJBXVCDLSA-N 372.487 1.744 0 40 FDAB COc1cc(NC(=O)C(F)(F)Br)ccc1NS(C)(=O)=O 58247579 VKOWPGCWHASEBL-UHFFFAOYSA-N 373.175 1.993 0 40 FDAB COCc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccccc12 12616129 ITRLPXCBUUERIQ-UHFFFAOYSA-N 371.437 1.616 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 12600438 MCVDLYLOUTUZKZ-ZIAGYGMSSA-N 358.394 1.895 0 40 FDAB CCc1ccc([C@H]2C(C(=O)N3CCN(C)CC3)=C(C)Nc3ncnn32)cc1 54672235 QGFWMJZWBFZWEX-SFHVURJKSA-N 366.469 1.903 0 40 FDAB Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 10343693 PMPSTGIVMYCGLG-UHFFFAOYSA-N 368.850 1.431 0 40 FDAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)Cc1ccccc1 58160043 PSPBIKQTAZDFCS-AWEZNQCLSA-N 361.467 1.471 0 40 FDAB Cc1ccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 11210305 SZVOXCKSKYNMCI-SFHVURJKSA-N 353.422 1.706 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1 11591622 AKWDBRIMPCGVAD-YJYMSZOUSA-N 357.410 1.475 0 40 FDAB CCN(CC)C[C@H](O)COc1ccc(OC[C@H](O)CN(CC)CC)cc1 3900005 CSLQEEQKFLCTKP-HDICACEKSA-N 368.518 1.850 0 40 FDAB COc1cc2oc(=O)c(CC(=O)N3CCN(C)CC3)c(C)c2cc1OC 13691507 YZYGIWLJFNVGSZ-UHFFFAOYSA-N 360.410 1.435 0 40 FDAB COc1ccc(NC2=NC(=O)C[C@@H](C(=O)NCc3ccccc3)N2)cc1 9190772 AQZHBUNMCXEJKG-INIZCTEOSA-N 352.394 1.668 0 40 FDAB COC(=O)c1sccc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 13730828 OVUUDBSWZHIWBS-UHFFFAOYSA-N 362.363 1.518 0 40 FDAB COc1ccc2c(C)c(CC(=O)NCCCN3CCOCC3)c(=O)oc2c1 13718880 FYJWJAVYZSEEEP-UHFFFAOYSA-N 374.437 1.491 0 40 FDAB Cc1ncsc1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005369 YBJUGGHUBLBYAQ-CYBMUJFWSA-N 357.501 1.918 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96000577 LYPIKHKDWUOYLC-OAHLLOKOSA-N 372.406 1.894 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC2CC2)c1 6428720 YIZBJSDSVDLJLG-GFCCVEGCSA-N 368.455 1.541 0 40 FDAB CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)C1 14199274 WPNJRJGHRIQYDM-SFHVURJKSA-N 363.417 1.798 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2nnc(C(F)F)s2)=NN1c1ccccc1 67551731 PAMKKSOUVGDCDQ-SECBINFHSA-N 366.353 1.534 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1 96345646 GZCCTRCVHCKQLO-MRVPVSSYSA-N 360.374 1.854 0 40 FDAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2ccccc21 7377087 JFMWRYROSBZFQJ-JTQLQIEISA-N 357.341 1.939 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 7399027 FMZPERTYSWJGRQ-INIZCTEOSA-N 353.325 1.947 0 40 FDAB CCCNC(=O)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306136955 QHHAVHDZVIFAPV-ZDUSSCGKSA-N 364.471 1.613 0 40 FDAB COc1ccccc1N1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 17333611 ZTJLOXAXHRPKBN-UHFFFAOYSA-N 369.421 1.522 0 40 FDAB O=C(COc1nncc2ccccc12)N1CCN(C(=O)c2ccco2)CC1 8520595 ZIDWJAHDXSSSFR-UHFFFAOYSA-N 366.377 1.586 0 40 FDAB CCc1nnc([C@@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)o1 95956613 RCBSZHMPJSLGJB-OAHLLOKOSA-N 357.458 1.627 0 40 FDAB Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1N1CCNC1=O 89589027 NYUFKQPMAWRJPC-MRXNPFEDSA-N 353.378 1.908 0 40 FDAB Cc1noc([C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 60241675 HHTQSDNZOGBOHQ-LLVKDONJSA-N 366.443 1.736 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccnc1 524731631 FQKOZQGINMLFOU-GMBSWORKSA-N 354.410 1.499 0 40 FDAB biogenic CC(C)CN1CCN2CCn3c(C(=O)NCc4cccs4)nnc3[C@@H]2C1 306133687 MSUYUVRHXXWEDO-HNNXBMFYSA-N 374.514 1.598 0 40 FDAB CC(C)N1CCN(S(=O)(=O)c2cncc(Br)c2O)CC1 72210930 DMDSODVEWBUZPG-UHFFFAOYSA-N 364.265 1.264 0 40 FDAB Cc1ccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)c(C)c1 32508619 XPVIDEJJXJVFJW-ZIAGYGMSSA-N 367.496 1.442 0 40 FDAB NC[C@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218156426 ZDHSECTWLXIEPS-SQNIBIBYSA-N 361.419 1.292 0 40 FDAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccnc4)C[C@H]32)c(OC)n1 72392582 IYAIAWNGNJGZQH-ZSZQSSIHSA-N 356.426 1.618 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380577 KKDKBULAJNUVHD-CYBMUJFWSA-N 370.457 1.835 0 40 FDAB O=C(O)[C@H](CNC(=O)[C@@H]1CCOC1)Oc1ccc(Br)cc1 563200400 HXPDLFCAPVGOBP-SKDRFNHKSA-N 358.188 1.434 0 40 FDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 223299788 CGFFDTLIHRVEHJ-UHFFFAOYSA-N 363.395 1.310 0 40 FDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O 85467332 OZCHOHJCMWFNRC-HNNXBMFYSA-N 357.385 1.478 0 40 FDAB O=C(NCc1nnnn1CC1CC1)N1CCC(CO)(c2ccccc2)CC1 579444035 DBSRNNUPGBPSGO-UHFFFAOYSA-N 370.457 1.319 0 40 FDAB CCOC[C@@H]1C[C@@]2(COCCN2S(=O)(=O)c2cccc(C)c2)CO1 96240741 UNMGFRLLGPTSTJ-DOTOQJQBSA-N 355.456 1.580 0 40 FDAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 583619017 VBYNZQMVDVJMOG-GOSISDBHSA-N 358.446 1.585 0 40 FDAB COCCN1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 96107985 PVDKCCKSJCUALC-VQTJNVASSA-N 358.482 1.597 0 40 FDAB COc1ccc2onc(CC(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)c2c1 584399352 WVUCPXZZKRBILE-GOEBONIOSA-N 364.423 1.557 0 40 FDAB C[S@@](=O)Cc1ccc(CNC(=O)c2cccc3c2OCC(=O)N3)cc1 585082672 GECJHPURFCREJK-RUZDIDTESA-N 358.419 1.826 0 40 FDAB COc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCOCC4)COC[C@H]3C2)cc1 96057233 OSTQBSLHWXXXTD-GGPKGHCWSA-N 374.481 1.639 0 40 FDAB CCOc1ccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)cc1 585655766 FYTPACJCXOFEGW-AWEZNQCLSA-N 370.409 1.892 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@](C)(O5)[C@@H]1O 253505471 WVIJKZGJRVKCQR-PZUZUOETSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro CN(C)c1nccnc1[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 257211474 BYZWQBLLMVQPEF-KRWDZBQOSA-N 356.426 1.887 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCCc2cnccn2)N1Cc1ccccc1 688898186 DVPOJJDMHHQMTA-IRXDYDNUSA-N 354.410 1.253 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1 96120503 JVHAYLLPAAXDPK-UHFFFAOYSA-N 370.427 1.783 0 40 FDAB Cc1snnc1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107855 UFYFOVFPTXMQOK-KGLIPLIRSA-N 357.439 1.362 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cc(C)on2)Cc2cccn2C1 585095405 PVDIZKUDNAXTIA-OAHLLOKOSA-N 366.487 1.746 0 40 FDAB CN(CCCC(=O)OC(C)(C)C)C(=O)CSc1nnnn1C1CC1 65610768 TZWRDPBVXISPPN-UHFFFAOYSA-N 355.464 1.680 0 40 FDAB COc1ccc(C(=O)N2CC3(CN(C)C[C@H]3c3n[nH]c(C)n3)C2)cc1F 1775958359 UGGUXCNCUOJHHU-ZDUSSCGKSA-N 359.405 1.432 0 40 FDAB CO[C@H]1[C@H](CNC(=O)CCn2nc(C)c(Cl)c2C)COC[C@H]1OC 1615130199 OOUFUPLTJDKRBD-IOASZLSFSA-N 359.854 1.336 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)COc1cc(C)ccc1Cl 1615148819 NSTRVERPIXOTEW-MRRJBJDNSA-N 357.834 1.244 0 40 FDAB OC[C@@H]1O[C@@H](n2c(C(F)(F)F)nc3cc4ccccc4cc32)[C@H](O)[C@@H]1O 5487722 OSDOIUWYXRFOJG-GBJTYRQASA-N 368.311 1.820 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1 5952971 VKJDNSLDKFXSPG-OLZOCXBDSA-N 352.412 1.187 0 40 FDAB Cc1ccnc2nc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)nn12 12912308 XPMCJTOGHOVSCM-LLVKDONJSA-N 359.411 1.327 0 40 FDAB CC(C)c1n[nH]c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1 13143749 SVJXYZUBMMECRC-UHFFFAOYSA-N 355.445 1.306 0 40 FDAB Cc1ccc([C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]2c2csnn2)cc1 19212001 XFYRLOYZIZGIDJ-DLBZAZTESA-N 372.494 1.888 0 40 FDAB CN(C)CCN(Cc1ccc2c(c1)n(C)c(=O)n2C)Cc1ccccn1 19289788 AZTYYQXBPFTWBI-UHFFFAOYSA-N 353.470 1.836 0 40 FDAB CNc1ncc(C(=O)N2CCC[C@@H](NC(=O)c3scnc3C)CC2)cn1 19749743 ZOGBSHDTISSTEN-CYBMUJFWSA-N 374.470 1.708 0 40 FDAB COCCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCN(C)CC2)c1=O 22697901 YMZARUQNYSXTRK-IBGZPJMESA-N 372.469 1.241 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Br)ccc2N)C[C@H](C)O1 4246438 AIRYWBUUJHJYOW-UWVGGRQHSA-N 371.231 1.824 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4cc(=O)n5ccccc5n4)C[C@H]3C2)n1 1888879240 BXXGGJQZCHXPIL-KBPBESRZSA-N 364.409 1.066 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c2ccncc2n1 1888890910 XFPVCTRLMPPNTB-HZPDHXFCSA-N 359.389 1.959 0 40 FDAB CC(C)N(C)CC(=O)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565548937 IZJKRRVOWCRRPC-AOIWGVFYSA-N 364.490 1.388 0 40 FDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 1565544657 NKHMKGIOISRFCA-RYUDHWBXSA-N 360.414 1.450 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)CC1 1565549306 UJDWNSVIQKQDMX-OLECLDRESA-N 362.474 1.739 0 40 FDAB Cc1ccc(=O)n(CC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 585503571 SNTDMPMPHZHQKH-UHFFFAOYSA-N 353.430 1.453 0 40 FDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 40017368 CEIXHJDGLQYNOP-INIZCTEOSA-N 366.439 1.312 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1-n1cccn1)CS2 40091071 UFNXJMICBVQQJC-GUYCJALGSA-N 357.439 1.338 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2ccccc2-n2cnnn2)n1 20724357 QYMCLYHTGDWJTH-UHFFFAOYSA-N 358.383 1.477 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC 20761789 MVTHFVLESFYICM-MRXNPFEDSA-N 374.397 1.257 0 40 FDAB biogenic CCCCC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)OC 79024775 PNTMIWXTQVNQQE-CQSZACIVSA-N 356.444 1.910 0 40 FDAB COC(=O)c1nc(NC(=O)c2ccccc2-n2nnnc2C)sc1C 79494445 VFNUMAAUHQTRAL-UHFFFAOYSA-N 358.383 1.775 0 40 FDAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3294888 PHJCTBBSFIDTHS-UHFFFAOYSA-N 368.850 1.639 0 40 FDAB NC(=O)CCc1nnc(SC[C@@H]2CCCCO2)n1Cc1ccco1 22749642 FZGKIGYWFQHQLZ-ZDUSSCGKSA-N 350.444 1.999 0 40 FDAB O=C(NCc1ccco1)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3 6759057 JUCBXOUDXLICGZ-YKTARERQSA-N 354.362 1.471 0 40 FDAB COC[C@H](C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C 6800286 IHBCFEITBMLKBC-LBPRGKRZSA-N 351.428 1.009 0 40 FDAB Cc1cccc(OCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1 7183163 NWNJQVVHTLPXOB-UHFFFAOYSA-N 365.407 1.643 0 40 FDAB O=C(NCCC1=CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 25183658 JKUJFSIBMVXGQB-AWEZNQCLSA-N 367.471 1.159 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)c1 9944801 JBONSDBSQZFSIK-HXUWFJFHSA-N 370.453 1.364 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccccc2)no1 12593673 HXSZDFPRINLPME-UHFFFAOYSA-N 356.407 1.947 0 40 FDAB CN1[C@H]2CC[C@H]1CC(OC(=O)/C=C/C(=O)OC1C[C@H]3CC[C@H](C1)N3C)C2 104106724 HPYPBYFMSXFPSQ-RIQFGNJVSA-N 362.470 1.879 0 40 FDAB CC(=O)Oc1ccc(C[C@H](C(=O)O)N2C(=O)c3ccccc3C2=O)cc1 3280886 HUCSXSUSZNLBDK-MRXNPFEDSA-N 353.330 1.904 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 57997829 XXBQMDMCIFMBSW-HNNXBMFYSA-N 355.394 1.354 0 40 FDAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(=O)N1CCC[C@H](C(N)=O)C1 95349055 OGLHNWDXWWZODV-DDHJSBNISA-N 362.401 1.585 0 40 FDAB CNC(=O)NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 58244947 ZHMZHKZEDBJLFL-UHFFFAOYSA-N 352.394 1.757 0 40 FDAB CC1(C)NC(=O)N(CCCN2CCCN(c3nccs3)CC2)C1=O 58282252 KYNSSMPXRJJBIG-UHFFFAOYSA-N 351.476 1.376 0 40 FDAB CN(C)CCNC(=O)[C@H]1C[C@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 107263993 WAPQHQORIKXYIK-YESZJQIVSA-N 366.506 1.186 0 40 FDAB Cn1c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n(C)c1=O 20622031 YPIQGSAEXSYPMX-AWEZNQCLSA-N 360.801 1.159 0 40 FDAB biogenic C[C@@H](C(=O)NCC1CCC(C(=O)O)CC1)n1c(=O)[nH]c2ccccc2c1=O 2202337 ZJZFKKOAYTYNQF-HIFPTAJRSA-N 373.409 1.258 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 28253758 KUEBPXVMQIZZCN-UHFFFAOYSA-N 359.407 1.848 0 40 FDAB O=C(Cc1cccs1)NCCS(=O)(=O)N1CCc2ccccc21 10876332 WKSPUNARJBOLNW-UHFFFAOYSA-N 350.465 1.799 0 40 FDAB COCCn1c(C)cc(C(=O)Cn2nnn(-c3cccs3)c2=O)c1C 10813245 XTPDRSXPWOJHAK-UHFFFAOYSA-N 361.427 1.438 0 40 FDAB O=C(NCCCN1CCCCCC1=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 46024184 KAJNHDAOCGPHRE-INIZCTEOSA-N 372.469 1.339 0 40 FDAB CC1(C)NC(=O)N(CCOC(=O)C2(c3ccccc3)CCOCC2)C1=O 46399590 GZXXCTNFZUVLRS-UHFFFAOYSA-N 360.410 1.608 0 40 FDAB COCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C1=O 8914007 VVLNFFQYNWAUKJ-UZLBHIALSA-N 371.437 1.703 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 5069830 IUOAIADSKHKEMQ-GXSJLCMTSA-N 350.718 1.032 0 40 FDAB CN(C)S(=O)(=O)c1cccc(COC(=O)CN2CCCCCC2=O)c1 6937105 XZCWLERUWIBVIW-UHFFFAOYSA-N 368.455 1.383 0 40 FDAB Cc1nc(COC[C@H]2CCS(=O)(=O)C23CN(C(=O)C(C)C)C3)cs1 306129009 HRGSLERTSLVOPR-CYBMUJFWSA-N 372.512 1.640 0 40 FDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 97013923 WFNJUDICUNXGEZ-CYBMUJFWSA-N 362.411 1.324 0 40 FDAB Cc1ccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)nc2c1 9608675 NEVYDLGBYBCFEH-SFHVURJKSA-N 352.350 1.563 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 408592979 LHXGZNHGIXUXHA-KPKJPENVSA-N 356.290 1.622 0 40 FDAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C 69591181 SDPQXJCPZLETBT-GXTWGEPZSA-N 361.442 1.416 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12 9602334 MSNQCLKGUQVLHN-AWEZNQCLSA-N 359.382 1.664 0 40 FDAB CCC(CC)NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 8708953 YSFMFGKSKGZJNS-UHFFFAOYSA-N 353.492 1.847 0 40 FDAB C[C@H](c1ccc(F)c(F)c1)N1CCN(CCN2C(=O)CCC2=O)CC1 72308438 PXLOVCONCJRDNG-CYBMUJFWSA-N 351.397 1.792 0 40 FDAB CCc1nc(CN2CCN(CCC(=O)Nc3cccc(F)c3)CC2)no1 72308647 MMWJCLJGGFPCFR-UHFFFAOYSA-N 361.421 1.918 0 40 FDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 408556363 ICHHHUUDBFCSGU-AWEZNQCLSA-N 354.472 1.931 0 40 FDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 409103720 BMSGOPGQXDXYLU-SZJBZFAYSA-N 364.379 1.149 0 40 FDAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(CC2CCOCC2)Cc2cncn21 306136638 PYYCEBUNMMCEPM-HNNXBMFYSA-N 354.401 1.580 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCCC2)cc1C 28210083 UEOWSQIPQLJSCC-AWEZNQCLSA-N 366.439 1.306 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)cc1 306131728 KNWXJIWLOMOWKP-WMLDXEAASA-N 368.499 1.665 0 40 FDAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1O 408916919 ITYUZYVYJFAQHN-XBXARRHUSA-N 374.134 1.576 0 40 FDAB CS(=O)(=O)N1CCn2c(-c3cccc(F)c3)cnc2C12CCNCC2 306144153 YXVIRDOTYPHUIW-UHFFFAOYSA-N 364.446 1.543 0 40 FDAB COc1cc([C@]2(C)OC[C@H](CN3CCOCC3)O2)cc(OC)c1OC 33852240 ZIOBPMQEBOCFLH-KBXCAEBGSA-N 353.415 1.633 0 40 FDAB in-man Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1 306123592 AQYCWVSNLVWBGH-SQWLQELKSA-N 360.483 1.667 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2)C1CCC1 306125523 CTFQKGMBBYTRCO-HNAYVOBHSA-N 369.425 1.765 0 40 FDAB Cc1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O 32682518 HAXKSBUOTOATPN-UHFFFAOYSA-N 371.441 1.067 0 40 FDAB CN(C)C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(F)cc3)c21 72347786 DTGWXSAEMDDBRF-UHFFFAOYSA-N 356.361 1.102 0 40 FDAB COc1ccc(C(=O)NC[C@H]2OC[C@@H](NCc3ccc(F)cc3)[C@@H]2O)cc1 77265200 ATQTVTNBOMOEHU-QRVBRYPASA-N 374.412 1.482 0 40 FDAB biogenic,in-vitro O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc3c(c2)OCO3)C1(CO)CO 218158769 ZNKDZULSNXGWAO-IRXDYDNUSA-N 362.403 1.326 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 32906681 CNQNIGUWNJNAJU-UHFFFAOYSA-N 357.428 1.750 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2OC2(CCN(C(=O)C3CC3)CC2)C1 72394355 FCCHIYPWULYQQD-UHFFFAOYSA-N 364.467 1.612 0 40 FDAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)c3cnccn3)cc2)[C@H]1CO 72321182 CJGPBGKILFVHAE-SJLPKXTDSA-N 370.409 1.398 0 40 FDAB biogenic,in-vitro O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224317950 NYXBXLOZCBKOMV-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB COc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1OC 224251969 OLDBKZLINOSAOJ-UHFFFAOYSA-N 357.414 1.498 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148898 XDPRCKHLOCPUTG-KPZWWZAWSA-N 365.389 1.778 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 225167673 GQQTYSDNAZYEMM-HZPDHXFCSA-N 370.471 1.078 0 40 FDAB O=C(CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCc1ccco1 41253865 ZGOJJIQOUPPRHX-UHFFFAOYSA-N 367.361 1.939 0 40 FDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(CC3CCOCC3)CC2)CO1 96105954 IVWKWDZFRGROMN-KRWDZBQOSA-N 354.491 1.389 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccnnc2)C1 96057746 WNJLCFHATRDTRH-NUEKZKHPSA-N 353.382 1.130 0 40 FDAB COCC(=O)N1CC[C@@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244241 JBFWNYBMJOMWML-SFHVURJKSA-N 358.398 1.328 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(C1CCOCC1)C2 248019735 HQRWKNIQIBZGLU-OAHLLOKOSA-N 360.483 1.876 0 40 FDAB Cc1ccccc1CC(=O)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 248138448 DSRGAXJPRKKFPX-SFHVURJKSA-N 358.482 1.877 0 40 FDAB CNc1cc([C@@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)ccn1 257276543 NUFOFNBYWDKGCK-CQSZACIVSA-N 359.430 1.161 0 40 FDAB CN1C(=O)C2(CCN(C(=O)c3ccon3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 257291295 QGJMYTPHYUAMMB-SJORKVTESA-N 369.421 1.861 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3ncccn3)c2)N1 257334958 YHZUKOYVIKBYAL-MPGHIAIKSA-N 367.409 1.513 0 40 FDAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257350425 XIMHBRWYDJFACW-JELWBRQBSA-N 366.498 1.796 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 257212441 CDKVVPRFUWLWNX-INIZCTEOSA-N 356.426 1.766 0 40 FDAB CN1CC[C@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260838657 UGXXOVDCZATOHP-TVQRCGJNSA-N 364.345 1.948 0 40 FDAB CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cn1 270002268 YRFBCATVSAZXHX-CQSZACIVSA-N 370.475 1.092 0 40 FDAB Cc1nnc(-c2cccc(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)c2)o1 1650745823 PHHDGKGHBBMHER-HNNXBMFYSA-N 370.409 1.148 0 40 FDAB Cn1cc(N2[C@H](C(=O)NCCOc3ccccc3)CC[C@@H]2C(=O)O)cn1 630657156 UKMKSBCEWQBWQX-JKSUJKDBSA-N 358.398 1.037 0 40 FDAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c[nH]nc1[C@@H]1CCCNC1 643724562 QILMWNWOKQKMSJ-HUUCEWRRSA-N 359.474 1.398 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cc(Cl)ccc1OC 643953401 RFKCBVITWJCYDD-QGZVFWFLSA-N 354.834 1.645 0 40 FDAB CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCc1ccc(F)cc1 656940548 MZLNASKMTSBLTE-KZNAEPCWSA-N 370.490 1.882 0 40 FDAB NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)[C@@H](C(=O)O)C2CCCC2)CC1 663054408 NDEVIGSUWLZVDL-SOUVJXGZSA-N 352.431 1.006 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1CNc1cccc(CN2CCOCC2)n1 667918640 INPVCEROQZZPDP-MAUKXSAKSA-N 357.458 1.837 0 40 FDAB O=C(c1nnc(O)nc1O)N1CCc2cc(Br)cc(F)c2C1 678801482 ZNBYWYNQDSEIAI-UHFFFAOYSA-N 369.150 1.383 0 40 FDAB C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(N(C)C)cc1 1757497005 AUBHEEMQNAQEBH-QAPCUYQASA-N 369.469 1.759 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)Cc2c(C)nn(C)c2C)C1 1775957311 NBQSNGXCJLDKMI-DOTOQJQBSA-N 358.442 1.669 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCO[C@H](c4ccccc4)C3)cc21 96025659 VPBFWWIWROPXSX-KRWDZBQOSA-N 374.418 1.894 0 40 FDAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cc3ccccc3o2)CC1 96376967 OLDGNEUKXMOWFA-UHFFFAOYSA-N 364.423 1.198 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)no1 96394180 IXABXXPZHPZDHZ-LBPRGKRZSA-N 354.374 1.209 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575404618 OYBPEXPTBBAJOK-ZDUSSCGKSA-N 354.410 1.746 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 585095776 KAHALEYRMSVSBA-AWEZNQCLSA-N 362.455 1.571 0 40 FDAB O=C(CNC(=O)NCc1ccccc1)NCc1ccnc(N2CCCC2)c1 30012679 HQUQPGJBOOSDHM-UHFFFAOYSA-N 367.453 1.797 0 40 FDAB COc1cccc(NC(=S)N2CCN(CC(=O)N3CCCC3)CC2)c1 35294206 WEADAKIJXOJEFG-UHFFFAOYSA-N 362.499 1.632 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 51673850 CEFMTVVZKFKXJY-JKSUJKDBSA-N 370.446 1.703 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887300 VHHJOWLPDLSXJY-KBPBESRZSA-N 354.414 1.107 0 40 FDAB Cc1ccc(N2Cc3nn(CC(=O)Nc4nccs4)c(=O)n3C2=O)cc1 1547200727 ACWDHDOHXMQOKR-UHFFFAOYSA-N 370.394 1.437 0 40 FDAB Cn1cncc1C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615158411 MOQPMLOSQAMGJE-IBGZPJMESA-N 372.400 1.597 0 40 FDAB CCOC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 12086504 YYXWBJSAYLBZNX-ORAYPTAESA-N 359.426 1.811 0 40 FDAB COc1ccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1 13676426 ZFEJZVBVBDHIPX-UHFFFAOYSA-N 369.487 1.063 0 40 FDAB C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024929 KXSALVHRLVXAQD-WLGIOCAZSA-N 361.829 1.879 0 40 FDAB Cc1cccc(CC(=O)N[C@@H](C)c2cc(=O)[nH]c(N3CCN(C)CC3)n2)c1 19234824 KIRHPWAYJKCXOJ-HNNXBMFYSA-N 369.469 1.250 0 40 FDAB COCCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19593126 TVEPSQNWIYQQPS-GRYCIOLGSA-N 361.368 1.841 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@@]2(C/C=C(\C)C(=O)O)[C@H]1O 252463532 AGWIINKICRXDEB-KAENGRSMSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cn1 19525047 GKJOUSCPNIOZMH-CQSZACIVSA-N 374.426 1.874 0 40 FDAB O=S(=O)(c1cccc(Cl)c1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1256744249 WJDJYUNWRRDSIB-CHWSQXEVSA-N 364.858 1.887 0 40 FDAB CCNC(=O)c1cc2c(CNC(=O)c3cc(OC)no3)nn(C)c2s1 1565554605 VTMKUHRRBZOITN-UHFFFAOYSA-N 363.399 1.311 0 40 FDAB CCOC(=O)C1=C(C)N=c2s/c(=C/N(C)C)c(=O)n2[C@@H]1c1ccccc1 6940414 PHBSGDITBQHQQR-WSYSLRRZSA-N 371.462 1.269 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccccc3)o2)C1 13790443 LEXWPWKKYYRSTE-GFCCVEGCSA-N 350.400 1.347 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccc(C)o2)CC1 2055782064 GPHVTAINAPCRDI-UHFFFAOYSA-N 360.414 1.179 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]2C1 2055731611 LGLGEZUYYAASQM-HEHGZKQESA-N 355.398 1.311 0 40 FDAB Cn1cc(-c2cc(CNC(=O)Cn3cnc4ccccc4c3=O)ccn2)cn1 585149722 SSPBFYHVHAQFTN-UHFFFAOYSA-N 374.404 1.508 0 40 FDAB COc1ccc(CN2CCN(c3ncnc4c3ncn4C)C[C@H]2C)cn1 2298054306 BSSBGVGJTFYBDI-CYBMUJFWSA-N 353.430 1.478 0 40 FDAB Cc1csc(=O)n1CC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40001117 QELKOPSADACNGD-CYBMUJFWSA-N 357.439 1.667 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 20733951 RCZRWDCDWOHFRX-MRXNPFEDSA-N 351.406 1.586 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2coc(-c3cccs3)n2)C[C@H](C)O1 32895816 YOABRIJTTDROID-QWRGUYRKSA-N 357.457 1.847 0 40 FDAB CN(C)c1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)cc1 12323577 PHHHBXCSRPSWBH-AWEZNQCLSA-N 362.455 1.411 0 40 FDAB Cc1nnnn1-c1ccccc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79189905 XIRDVPDXONHLNZ-DOTOQJQBSA-N 354.458 1.965 0 40 FDAB biogenic Cc1ccc(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 850096 ZSXUWINZTMVERX-UHFFFAOYSA-N 363.215 1.553 0 40 FDAB Cc1cccc(CN2CCN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2CCO)n1 72436622 OLZZNHGXEXEIBO-QGZVFWFLSA-N 369.469 1.700 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)c2ccco2)c1 24153329 ZSAIRAFCVAPIEO-UHFFFAOYSA-N 352.368 1.147 0 40 FDAB C[C@@H](NC(=O)CN(C)CCNC(=O)N(C)C)c1ccc2c(c1)CCCC2 95456019 ZORBPTAFTHHDMX-OAHLLOKOSA-N 360.502 1.946 0 40 FDAB COCCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12631734 RBHXTOUWIOVTGJ-OKILXGFUSA-N 370.471 1.251 0 40 FDAB Cc1cc2ncc(S(C)(=O)=O)c(NC(=O)[C@@H]3CSCCS3)n2n1 95401684 BYJAKEPEZQTDRI-VIFPVBQESA-N 372.497 1.228 0 40 FDAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 12748643 LGDODRURMWPWDS-QGZVFWFLSA-N 350.484 1.932 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1F 12782250 FKOPZLGDGKOJNM-LBPRGKRZSA-N 367.402 1.238 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccnn2C[C@H]2CCOC2)c2ccccc21 58280810 COUIEMJNLPVYDP-CYBMUJFWSA-N 355.398 1.212 0 40 FDAB C[C@@H](C(N)=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 58202086 HGJFJMKDEGXTCL-JTQLQIEISA-N 354.248 1.973 0 40 FDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)CCNc3ncccn3)cc21 58266323 LQFWAZDRLAQSFM-UHFFFAOYSA-N 370.413 1.387 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(=O)n2cc(C)ccc2n1 3357708 QNLGESROUVZVLX-APSNUPSMSA-N 359.407 1.483 0 40 FDAB CN(C)CCN[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 22809398 XSFNALZOVIVQME-LBPRGKRZSA-N 358.236 1.382 0 40 FDAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 118913145 HAFVWTUQBYRPOB-LLNYXUETSA-N 364.482 1.573 0 40 FDAB endogenous,in-man C[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1 12883143 UOHCXXSDMTUXER-GFCCVEGCSA-N 372.377 1.964 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)CSc2cc(C)nc(C)n2)cc1 12016705 IZVRWWHXYQSUHZ-UHFFFAOYSA-N 351.453 1.999 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1 13058563 JFNSXQKWKBAZQD-UHFFFAOYSA-N 365.480 1.693 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cnc(N3CCCC3)nc1)n2C 48876158 SJASZBLPBDANCI-UHFFFAOYSA-N 369.429 1.281 0 40 FDAB CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9060634 PEYGXIKNYUSWPX-UHFFFAOYSA-N 353.488 1.882 0 40 FDAB CCN(CC)CCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060332 VZNQTIPGUTYJPC-AWEZNQCLSA-N 359.478 1.417 0 40 FDAB COc1ccc(CCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 6084566 ZOWUTHCQPNANMT-UHFFFAOYSA-N 362.407 1.970 0 40 FDAB C[C@@]1(NC(=O)CCNC(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 49959008 UEESBTHMQXOBIR-OAHLLOKOSA-N 358.847 1.153 0 40 FDAB CCOc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19533425 RZXLJQQOZLAWAX-AWEZNQCLSA-N 369.487 1.014 0 40 FDAB C[C@]1(NC(=O)c2ccc(CN3CCCC3=O)cc2)CCS(=O)(=O)C1 39978226 WWFKGNGGAWSCGM-KRWDZBQOSA-N 350.440 1.116 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O 4303928 QBAQGNCIRDCGAE-UHFFFAOYSA-N 369.356 1.175 0 40 FDAB O=C(NCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(F)cc1F 65550745 TUIWVQXDELHOJA-CQSZACIVSA-N 351.397 1.781 0 40 FDAB Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CC(C)C)c1 14157779 YRNRXAUPKNRJPH-UHFFFAOYSA-N 353.378 1.986 0 40 FDAB Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(N)=O)c(=O)c12 5486121 IGDYFHWLLHOLCF-UHFFFAOYSA-N 357.391 1.609 0 40 FDAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)n[nH]c1=O 5966138 ZDLZTXMIXZCZDS-UHFFFAOYSA-N 352.416 1.729 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)c2ccccc2O1 7255334 YLRPPKYKPITFMJ-MRXNPFEDSA-N 368.393 1.348 0 40 FDAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)o1 9479105 YKUASCASJBLEQR-UHFFFAOYSA-N 370.452 1.600 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)OCC(=O)c1ccc2c(c1)OCO2 24884067 JMFNMMJAOGHZEE-UHFFFAOYSA-N 369.329 1.567 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 69621307 LFQIQBGPQOCWFO-ABKXIKBNSA-N 367.858 1.910 0 40 FDAB CCCNC(=O)[C@H](C)[S@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806631 AHXVWBLLBQTBIT-YTEVENLXSA-N 360.501 1.100 0 40 FDAB COC[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 83897908 JYYATRNIPVWYDP-HUUCEWRRSA-N 362.451 1.213 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C[C@H](O)c2ccccc2F)CC1 96743038 PAJGHWMSQLQETK-LPHOPBHVSA-N 363.477 1.878 0 40 FDAB CCNC(=O)C1CN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 75094603 XCLMGDPWBZZRSX-HNNXBMFYSA-N 369.469 1.884 0 40 FDAB O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(-n2cncn2)c1 89780907 SLXAWWLPMIORGI-INIZCTEOSA-N 353.426 1.788 0 40 FDAB Cc1cnn(CCC(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c1 175753806 MXVXYBVVQYTPQJ-UHFFFAOYSA-N 374.489 1.997 0 40 FDAB CCOc1cc(CO)cc(I)c1OCC(=O)OC 34772788 WKMKDOQBQYZKMP-UHFFFAOYSA-N 366.151 1.734 0 40 FDAB COCC(=O)NCC[C@H]1CN(Cc2cnn(C(C)C)c2)Cc2ccnn21 306126407 DUVLUHNPWFRMAP-INIZCTEOSA-N 360.462 1.370 0 40 FDAB CCCn1nc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccc1=O 32499303 RPHZTVNZDPXRIF-UHFFFAOYSA-N 354.454 1.920 0 40 FDAB COc1cccc(-c2cc(O)nc(SCC(=O)Nc3nc[nH]n3)n2)c1 33175256 LMFNEBLWNGUSND-UHFFFAOYSA-N 358.383 1.707 0 40 FDAB COc1ccc2sc(N3CC(C(=O)N[C@H]4CCSC4=O)C3)nc2c1 75172324 PIOGYVRTEFXTSG-NSHDSACASA-N 363.464 1.889 0 40 FDAB Cc1nc(CN(C)C(=O)CN(C)C)nc2c1CCC(=O)N2CCC(C)C 72370997 XOAOFBPKSIPTLL-UHFFFAOYSA-N 361.490 1.630 0 40 FDAB CN(C)C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335767 HGEHVIOSFFZJNT-UHFFFAOYSA-N 352.398 1.353 0 40 FDAB Cc1ncccc1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 75110824 FPMNSECUKVPKCI-UHFFFAOYSA-N 351.350 1.434 0 40 FDAB O=C(Cn1ccc2c(Br)cccc21)N[C@H]1CCS(=O)(=O)C1 40286780 VOGMSPSMRMSABH-JTQLQIEISA-N 371.256 1.707 0 40 FDAB Cc1ccc(CN(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1 225652449 IEHMESZLBAYKJE-UHFFFAOYSA-N 364.471 1.160 0 40 FDAB COc1cccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c1 224167366 ZXJGCFNQNIQEFC-UHFFFAOYSA-N 362.455 1.954 0 40 FDAB COCCN1CCO[C@@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 96107983 OMJASLUQNWRFQE-QFBILLFUSA-N 350.459 1.483 0 40 FDAB O=C1CO[C@@]2(COCCN(c3cnccn3)C2)CN1c1cccc(F)c1 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CN(C(=O)c1ccc(OCCN)cc1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257265457 LYTIMSOBWUFUBU-GUDVDZBRSA-N 361.486 1.474 0 40 FDAB Cc1nc(-c2nccn2C)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257246357 ITSZOFROZSVDDS-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB COc1cccc(Cl)c1CC(=O)N1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 622166603 OXKMDLGGXNRJCA-XHDPSFHLSA-N 350.806 1.650 0 40 FDAB C[C@@H]1OCC[C@@]12CN(S(=O)(=O)CCc1ccc(F)cc1)C[C@@H](C)O2 656976732 PYWZUADESLTYCC-JKIFEVAISA-N 357.447 1.966 0 40 FDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCc2nnc(-c3ccccc3)n2CC1 91444470 IRZFUEZRODQFIM-OAHLLOKOSA-N 365.437 1.341 0 40 FDAB COC(=O)[C@@H]1CCc2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC1 601045585 YRLXRNCNBXKVNH-LLVKDONJSA-N 353.382 1.318 0 40 FDAB C[C@@H](C(=O)N1CCOc2cc(F)c(Br)cc21)S(C)(=O)=O 297800764 OPLINTOKPXQFKN-ZETCQYMHSA-N 366.208 1.747 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)cn1 585112754 VTDHNTVISPXZIQ-QGZVFWFLSA-N 371.489 1.852 0 40 FDAB O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cc(Cl)c2c(c1)OCO2 685942963 YTRQAVPFBJLWFL-WCQYABFASA-N 351.746 1.368 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)O)N(Cc2cn(-c3ccccc3)nn2)C1 685940301 CVJGESLGHFMPTJ-CJNGLKHVSA-N 357.414 1.021 0 40 FDAB CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1=O 72313130 UZQIEGRTJGGLFX-JTQLQIEISA-N 365.238 1.808 0 40 FDAB COc1ccc(-c2ncnc(N3CCN(S(C)(=O)=O)CC3)c2F)cc1 1776001734 IRPQURGOCIBEGZ-UHFFFAOYSA-N 366.418 1.373 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCc2nc(-c3ccccc3)no2)CC1 74330835 GQXMOGUWACXTLK-HNNXBMFYSA-N 369.469 1.564 0 40 FDAB O=C(COc1ccc(F)cc1)N1CCCSC[C@H]1CN1CCOCC1 85473350 WMYIYKMLBFARCO-MRXNPFEDSA-N 368.474 1.871 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)CN1C(=O)c2ccccc2C1=O 12822427 CLPPTAAZRADYLL-UHFFFAOYSA-N 351.362 1.040 0 40 FDAB O=C(c1ccco1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267385 OQHBCDDZXWTQJX-INIZCTEOSA-N 361.423 1.862 0 40 FDAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13582098 IMUAILQRXGEIJM-UHFFFAOYSA-N 365.798 1.979 0 40 FDAB CCn1c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 14019231 SDDQPAVZBIAODP-UHFFFAOYSA-N 365.437 1.567 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccccc1 14101564 UEYSZCILAAEGEV-UHFFFAOYSA-N 354.453 1.415 0 40 FDAB CN1N=C(C(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)CCC1=O 19460158 ACEGGSMKSNZMQO-UHFFFAOYSA-N 371.397 1.064 0 40 FDAB CN1CCc2nc3cc(C(=O)NCc4cccs4)ccc3c(=O)n2CC1 19590775 HEIVLZBCHKPZPK-UHFFFAOYSA-N 368.462 1.876 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1cccnc1 19930496 VOGKBVXISAPNEU-UHFFFAOYSA-N 359.451 1.771 0 40 FDAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)CCC(N)=O)CC2)nn1C 100687656 RBJMZYJGGIRKJV-IYBDPMFKSA-N 363.506 1.479 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(C)cc1)C2=O 16847639 GYJIMTFRMZRQNX-UHFFFAOYSA-N 365.455 1.231 0 40 FDAB CCc1cccc2sc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc12 1889141234 AWJBIFQSSDYBLX-AWEZNQCLSA-N 361.467 1.923 0 40 FDAB CCOc1nccn2c(CNC(=O)c3cc(-c4cccs4)n[nH]3)nnc12 245060695 PWNHVJZENGYPBZ-UHFFFAOYSA-N 369.410 1.905 0 40 FDAB CC1CC(C(=O)N2C[C@H](C(=O)NCc3ccccn3)C[C@H]3OCC[C@H]32)C1 1614931118 JFQQPQZKORVIBP-RTHYRTHZSA-N 357.454 1.750 0 40 FDAB Cn1ccc2c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2087131786 FUCCPGWKHUNRCC-CYBMUJFWSA-N 365.384 1.431 0 40 FDAB COc1cccc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccncc4)N3N2)c1 4139226 QZDFAZOHZMFLIY-INIZCTEOSA-N 362.393 1.527 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3nc4ccccc4[nH]3)CC2)no1 35598323 GSRZDCCAOKISNM-UHFFFAOYSA-N 354.414 1.616 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2c2ncccn2)cc1 585150461 QQNVYCWYKTWDOV-OAHLLOKOSA-N 360.439 1.627 0 40 FDAB O=S(=O)(NCCCN1CCN(c2ncccn2)CC1)c1cccs1 30004145 AXPCPNJQQFDTAY-UHFFFAOYSA-N 367.500 1.029 0 40 FDAB COCCCNC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 50275473 XHNQCSFHNINTSK-UHFFFAOYSA-N 374.407 1.765 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1 20623882 SQMFLOOFHSMNFY-UHFFFAOYSA-N 362.433 1.810 0 40 FDAB CC(C)=CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 20745179 ZYNDTMGDWXJDFX-INIZCTEOSA-N 355.438 1.677 0 40 FDAB CC(C)c1cc(C(=O)NC[C@H](O)CN2CCOCC2)c2ccccc2n1 32802929 CJGANLAMSBBDLE-HNNXBMFYSA-N 357.454 1.781 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1 32908965 VIZQVFLGHQPXLL-UHFFFAOYSA-N 368.846 1.650 0 40 FDAB CSc1ccc(N2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 32909597 PPAWLQVFNJPDOA-RYUDHWBXSA-N 368.480 1.065 0 40 FDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccc3c(c2)OCO3)N1 12347242 BWQPLKKGAMQHKH-ZBEGNZNMSA-N 357.366 1.045 0 40 FDAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325707 FSGOMNJQDGMHSH-BLLLJJGKSA-N 372.512 1.984 0 40 FDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@]2(CCOC2)C1 79093743 BXVLOGFHAJDSDE-SFHVURJKSA-N 364.467 1.724 0 40 FDAB Cc1noc(CCCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 79107061 FGFUOBKENDZMIF-MSOLQXFVSA-N 370.453 1.813 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 2926001 PDQIFJJZSYWKKU-UHFFFAOYSA-N 363.439 1.015 0 40 FDAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 22624780 URENHBMGLRTNCV-LBPRGKRZSA-N 368.480 1.991 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1 803327 MKVORWAWCUZZJI-LBPRGKRZSA-N 352.412 1.759 0 40 FDAB COc1ccc(-c2noc(COC(=O)CN(C)c3ncccn3)n2)cc1 23174038 ABFDJHRMWMUFQC-UHFFFAOYSA-N 355.354 1.715 0 40 FDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 54228880 PKNAXFHTTWRWAS-FZMZJTMJSA-N 372.874 1.392 0 40 FDAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccnc3)=C2)cc1 6780831 GGQCOQINCDWGOJ-UHFFFAOYSA-N 370.434 1.570 0 40 FDAB Cc1cccc(N2CCN(C(=O)CSc3nc(N)nc(N)n3)CC2)c1C 7020708 AYPPIFBHBTTXHF-UHFFFAOYSA-N 373.486 1.094 0 40 FDAB C[C@@H](OC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(N)=O 12426413 JSMKPNWOYZEZQC-LDWIPMOCSA-N 362.329 1.925 0 40 FDAB Cc1nnc(O)c2c1[C@@H](c1cccc(Br)c1)n1nnnc1N2 10298595 DAOUPWDWXSDTCZ-LLVKDONJSA-N 360.175 1.934 0 40 FDAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 24528604 CHBQKEFRYGCQPE-KRWDZBQOSA-N 352.435 1.217 0 40 FDAB Cc1cccnc1CN1CC[C@@H]2OCCN(C(=O)c3cccnc3)[C@H]2C1 108526995 FFDRVCRNFVIVKN-OALUTQOASA-N 352.438 1.901 0 40 FDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1nccs1 25077568 YOLZXOFFEVDUOU-SECBINFHSA-N 357.395 1.066 0 40 FDAB CCNC(=O)COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 25648964 UWEHXXQNAYYDBS-UHFFFAOYSA-N 366.377 1.690 0 40 FDAB CC[C@H](c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1 20141507 DYOIXKHETVNLNJ-OAHLLOKOSA-N 370.413 1.817 0 40 FDAB CCOCCCNCC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 58124326 GWEZBRPXPFGYCP-QGZVFWFLSA-N 361.442 1.874 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1 10268520 RAHGGYIUQVSLFI-HUUCEWRRSA-N 361.442 1.976 0 40 FDAB Cc1ccc(C(=O)Nc2ccccc2CN2CCN(C)CC2)c(=O)n1C 22887135 ZRHIZKNKQPJDKA-UHFFFAOYSA-N 354.454 1.693 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 28013599 YONJGYGLNGXKAD-CQSZACIVSA-N 356.264 1.931 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccnn1C[C@@H]1CCOC1 58407082 FWWWGMICZNHDNN-AWEZNQCLSA-N 352.394 1.985 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)C)c1ccc(F)cc12 2265554 VSJWLRFVFIMCFK-INIZCTEOSA-N 364.402 1.736 0 40 FDAB CCOC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 3377002 JUMMEUCDIBKPEI-UHFFFAOYSA-N 365.430 1.043 0 40 FDAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cc1 306138173 RRQOMBJIQHBUBR-CABCVRRESA-N 367.453 1.483 0 40 FDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48302386 NUGWBWIELGQBJW-OAHLLOKOSA-N 370.453 1.746 0 40 FDAB COc1ccc(F)cc1COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 12804132 IAIKQJQZPHALQV-UHFFFAOYSA-N 366.370 1.375 0 40 FDAB C[C@@H](C(=O)OCC(=O)NCc1cccs1)N1C(=O)c2ccccc2C1=O 3479555 ARCQLMSHZXBUBD-NSHDSACASA-N 372.402 1.592 0 40 FDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1 13693475 ULHGDJXFGUXWGV-UHFFFAOYSA-N 355.397 1.425 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@@H]12 5076603 CBDNZKUELLGRAB-SMDDNHRTSA-N 358.354 1.386 0 40 FDAB O=S(=O)(c1ccc(CNC2CCSCC2)cc1)N1CCOCC1 9613677 KCSAFWRQVLIODZ-UHFFFAOYSA-N 356.513 1.693 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NS(=O)(=O)c1ccccc1)CCC2 96002779 OBFKWIBWPCLWDQ-HNNXBMFYSA-N 362.455 1.327 0 40 FDAB O=C(Nc1cccnc1-n1cncn1)N1CCN(Cc2cccnc2)CC1 66669203 JWIQNDXFEFZLRS-UHFFFAOYSA-N 364.413 1.407 0 40 FDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCCC1 5704223 VSNNSVOVEUPODW-CYBMUJFWSA-N 369.512 1.969 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 4926460 VJFAQMABISBHKW-UHFFFAOYSA-N 356.334 1.352 0 40 FDAB COc1cc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc(OC)c1OC 4985530 HFKQEEGCEJFFQJ-UHFFFAOYSA-N 373.409 1.576 0 40 FDAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NC4CC4)C3=O)ccc2c1 7061024 CIFOCJKBZBTTOA-HXUWFJFHSA-N 367.405 1.894 0 40 FDAB CC(C)NC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 9341035 KFPIXVRROZGOFL-KRWDZBQOSA-N 351.406 1.915 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cc(C)on1 7279209 ADVAJDFYKDDHCE-UHFFFAOYSA-N 369.399 1.259 0 40 FDAB COC(=O)CNC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 9420563 VAWBUIPGIOCUPJ-UHFFFAOYSA-N 366.320 1.526 0 40 FDAB CC(C)SC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 9418382 ZTPCUFKNBYJAQN-VXGBXAGGSA-N 354.453 1.899 0 40 FDAB O=C(NC[C@H]1CCCO1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69326553 OEEHQPIZMXPGAS-CYBMUJFWSA-N 357.414 1.209 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)N2CCN([C@@H]3CCCCNC3=O)CC2)cc1 72308543 IKIIVGHSUMBWJG-QFBILLFUSA-N 372.513 1.862 0 40 FDAB COc1ccc(-c2nc(CNS(=O)(=O)N3CCC[C@H](C)C3)n[nH]2)cc1 84697583 BNXQJHMAFQNXPL-LBPRGKRZSA-N 365.459 1.547 0 40 FDAB Cc1cn2c(=O)c(C(=O)NCCc3nc4ccccc4n3C)cnc2s1 95459235 BUIZGXXZYWJCQY-UHFFFAOYSA-N 367.434 1.924 0 40 FDAB COc1cc(OC)c(C(=O)Nc2cccc(-n3cn[nH]c3=O)c2)cc1OC 95942026 NMNXIOUJGZYSKZ-UHFFFAOYSA-N 370.365 1.839 0 40 FDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O 95943235 RBIDUIPRTPKGNJ-YJBOKZPZSA-N 362.433 1.945 0 40 FDAB CC(=O)N1CCC(CC(=O)NC(C)C)(N2Cc3ccccc3C2=O)CC1 1548347898 DAFGQHAHWCUFNB-UHFFFAOYSA-N 357.454 1.938 0 40 FDAB COc1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 128051677 XXNGGEXTHITMES-UHFFFAOYSA-N 362.451 1.773 0 40 FDAB CCOC(=O)C1CCN(c2nc(N)c(C(=O)N3CCCC3)s2)CC1 32951699 ZHFUBEUNEICJTR-UHFFFAOYSA-N 352.460 1.741 0 40 FDAB CCc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cs1 31709924 KOBRIFXMQGRSNP-UHFFFAOYSA-N 353.469 1.700 0 40 FDAB O=C(CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21)NC1CC1 72396650 ZTEAWQPUCXZVJJ-UHFFFAOYSA-N 356.403 1.983 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)cc1 70972058 XIMVVGXCFKNCRI-UHFFFAOYSA-N 354.428 1.419 0 40 FDAB COC1(C(F)(F)F)CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 561117723 XHMNNDNSTARVBR-NWDGAFQWSA-N 363.380 1.893 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1 1567533310 XWAQYCNWKSQYDT-YHAMSUFESA-N 372.450 1.490 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1 1567533309 XWAQYCNWKSQYDT-QMTYFTJSSA-N 372.450 1.490 0 40 FDAB Nn1c(SCCN2CCOCC2)nc2sc3c(c2c1=O)CCCC3 36646171 BIZQNGMVYOLNMY-UHFFFAOYSA-N 366.512 1.475 0 40 FDAB CC(=O)c1ccc(N2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1 40039756 LMSXLDGOZCFUTF-UHFFFAOYSA-N 369.450 1.989 0 40 FDAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 49468394 SARDANCNHFAUIS-UHFFFAOYSA-N 361.423 1.745 0 40 FDAB CN1CCN(c2ncc(NC(=O)Nc3ccc4c(c3)OCO4)cn2)CC1 75162027 WGWGMAIVTNPDBO-UHFFFAOYSA-N 356.386 1.601 0 40 FDAB COc1cccc(-c2c3c(=O)n(-c4nc(C)n[nH]4)ccc3nc3ncnn23)c1 40398278 OCCCSJCDWKHLMY-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB COc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 225441068 VUTNAOUHMQTJPP-CYBMUJFWSA-N 372.381 1.577 0 40 FDAB COc1ccc2c(n1)N(S(=O)(=O)c1c(C(F)F)c(C)nn1C)CC2 576843050 WXMWUPOZGFEQTI-UHFFFAOYSA-N 358.370 1.821 0 40 FDAB Cc1ccc(CN2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)s1 96035971 XZYZIYSVCFLZJT-QGZVFWFLSA-N 350.488 1.362 0 40 FDAB COc1ncc(Cl)c(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583616879 PZNVOMRYCGXMIU-OAHLLOKOSA-N 352.826 1.799 0 40 FDAB CC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1ccccc1)Cn1ccnc12 96144690 LTYXDOJNACXLIS-KRWDZBQOSA-N 368.437 1.436 0 40 FDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2O1 96042856 UZTLFOYTNQDYLO-APHBMKBZSA-N 357.389 1.942 0 40 FDAB Cn1c(=O)oc2c(C(=O)N3CCC([C@H]4NC(=O)C4(C)C)CC3)cccc21 578811403 WGJBMRLPNAYDPW-OAHLLOKOSA-N 357.410 1.508 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076541 JNJKXAMBMMAECI-SFHVURJKSA-N 354.414 1.026 0 40 FDAB Cc1cncc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 96237716 JULNNZYLEPMRHW-OAQYLSRUSA-N 364.449 1.953 0 40 FDAB CN(C)c1cc(N2CC3(C[C@H](CCOc4ncccn4)CCO3)C2)ncn1 248084242 DEPICWDDEBIUPC-OAHLLOKOSA-N 370.457 1.787 0 40 FDAB O=C([C@H]1CN(CCOCc2ccccc2)Cc2ccnn21)N1CCOCC1 247860537 MIDPMHIKWHOPCP-LJQANCHMSA-N 370.453 1.315 0 40 FDAB COc1ccccc1CC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257335430 YKCTUUMPZWELRW-LJQANCHMSA-N 356.426 1.175 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc(C(=O)N(C)C)n1 257264289 LTTDRXZSCAQRLB-CQSZACIVSA-N 371.441 1.878 0 40 FDAB COCCOc1cc(C(=O)N[C@H](C(=O)OC)c2ccc(F)cc2)ccn1 253471822 FWRDKOPEJIOIFG-INIZCTEOSA-N 362.357 1.890 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 253384267 OHYQXEIUCHIWGD-CYBMUJFWSA-N 367.423 1.081 0 40 FDAB O=C(c1cnccn1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257280535 OLGNGXLRJOWYSJ-ICSRJNTNSA-N 352.438 1.718 0 40 FDAB Cc1nonc1CC(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257338883 YZHDCTFCGWPTOX-UHFFFAOYSA-N 358.446 1.253 0 40 FDAB CN(C)c1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)ccn1 257271396 MYDIFJMCGANSKS-CYBMUJFWSA-N 359.430 1.142 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1sccc1OCC)C2 253383890 MXXNKUTXKQXUGC-GFCCVEGCSA-N 373.496 1.813 0 40 FDAB Cn1cc(CN2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)cn1 257276400 NTOHKZGPKMJMIO-MSOLQXFVSA-N 354.454 1.624 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 374288512 PXLWGOOJODXKRT-GDBMZVCRSA-N 372.425 1.568 0 40 FDAB Cc1nn(C)cc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644425664 JBVQOUCMZOMZSC-HXUWFJFHSA-N 356.470 1.762 0 40 FDAB CN1C(=O)CO[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccccc1 683440952 OSKHRUHNUBUJLH-SJORKVTESA-N 371.368 1.462 0 40 FDAB CCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1764395861 XJBMKJJSNSHVLO-HNNXBMFYSA-N 374.489 1.402 0 40 FDAB C[C@H](C(=O)N1CCC(C2(NC(=O)c3ncn(C)n3)CC2)CC1)C(F)(F)F 1775992967 VXKJTWVYYXNMMB-SNVBAGLBSA-N 373.379 1.515 0 40 FDAB Cc1noc(COC2CN(C(=O)NCCc3cc(C)c(O)c(C)c3)C2)n1 644470617 AJXOUHOPHLAWEO-UHFFFAOYSA-N 360.414 1.854 0 40 FDAB CN(C)[C@H]1[C@H](NC(=O)Cc2ccccc2)C[C@@H](Oc2ccccc2)[C@@H]1O 585262283 AOSOQLAEGVRFHQ-QCFAMHMHSA-N 354.450 1.856 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3ccccc3F)C2)C1 685941305 CFJHDKXQAOPWCB-BWODNOAJSA-N 359.401 1.034 0 40 FDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nn2)CC1 1775955055 MUZKIQSMMKQWNG-UHFFFAOYSA-N 362.839 1.371 0 40 FDAB Cn1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)nn1 85471724 JGEAXIACWQFQHL-UHFFFAOYSA-N 355.320 1.913 0 40 FDAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 84713904 ICGUAGGUCBRWIG-MGPQQGTHSA-N 367.471 1.609 0 40 FDAB C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnn2ncccc12 547325926 OJATWDXTEGMIIA-OAHLLOKOSA-N 365.441 1.065 0 40 FDAB O=C1NCC2(CCC(C(=O)N3CCC[C@H](O)C3)CC2)Oc2ccccc21 12086803 LTSICCWQWHFVMP-CHWWFWEZSA-N 358.438 1.721 0 40 FDAB O=C1CCC(=O)N1CCS(=O)(=O)c1c(F)c(F)nc(F)c1Cl 13724909 LXJQSAWSXCMGER-UHFFFAOYSA-N 356.709 1.075 0 40 FDAB CNc1nc(C2CCNCC2)nc2c1CN(C(=O)Cc1ccccn1)CC2 19711081 PAJFBLIDTYWWPO-UHFFFAOYSA-N 366.469 1.508 0 40 FDAB CCc1ncc(CN2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cn1 19745886 AEQBCNBPAGTJCL-OAHLLOKOSA-N 355.508 1.180 0 40 FDAB CCS(=O)(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12182343 WGWOBCKSEXLJSF-HNNXBMFYSA-N 365.430 1.864 0 40 FDAB COc1nc(OC)nc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889114142 YOIFIXOPTVLYEH-UHFFFAOYSA-N 365.825 1.437 0 40 FDAB O=C(NC1CCOCC1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1889136090 CCXLWXRWRTUZDN-GASCZTMLSA-N 357.458 1.611 0 40 FDAB CCNS(=O)(=O)c1ccc(C(=O)OCc2nnsc2Cl)cc1 21469820 XQVWQAZCHPBITR-UHFFFAOYSA-N 361.832 1.847 0 40 FDAB COC1(CC(=O)N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)CCC1 1565543055 NTGVHWSLYJIHFO-GOSISDBHSA-N 351.491 1.348 0 40 FDAB O=C(N1CCO[C@@H]2C[C@@H](COCCN3CCCC3)C[C@@H]21)C1(F)CCC1 1565549118 LUHYOUVYIURNOS-YESZJQIVSA-N 354.466 1.997 0 40 FDAB CN(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 4330258 GBLFZVVZLAKUTJ-UHFFFAOYSA-N 373.434 1.926 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 10332688 TYAVXKWSABXQSJ-OAHLLOKOSA-N 373.384 1.912 0 40 FDAB COc1cccc(C(=O)NCCn2nc(-c3ccncc3)ccc2=O)c1 11744498 LYQCPJQQVWMKDS-UHFFFAOYSA-N 350.378 1.744 0 40 FDAB COc1cc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)on1 2055796234 WNFBVQQGDRTWFK-ZDUSSCGKSA-N 363.414 1.078 0 40 FDAB CC(C)C(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775974335 XVEGAXRZRQPFKD-UHFFFAOYSA-N 351.414 1.489 0 40 FDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)CCCN)CC2)C1 72394379 SHCBPAFCCIZQRN-UHFFFAOYSA-N 359.470 1.836 0 40 FDAB Cn1cccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 75155166 FMAAFMSQAHKDPD-CYBMUJFWSA-N 355.316 1.832 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)C[C@H](C)O1 40081054 PRTXSSPJFSXPPP-GJZGRUSLSA-N 373.519 1.065 0 40 FDAB CC1CCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)CC1 32825732 CZNRJWSJNBPVLG-UHFFFAOYSA-N 366.531 1.375 0 40 FDAB Cc1nnnn1-c1cccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1 79188390 VEXHUWZHZDAMNO-FUHWJXTLSA-N 354.458 1.965 0 40 FDAB biogenic CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 23019785 SPOQDOCTCSLVMO-ZDUSSCGKSA-N 365.499 1.973 0 40 FDAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=N)NC(=N)N)c1 4530530 YHICNMWGNPHCKA-UHFFFAOYSA-N 362.415 1.326 0 40 FDAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 4875334 BSDNCQDSNWIWDM-KRWDZBQOSA-N 356.474 1.810 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CCC3)cc1 4949672 CMAFMCGUBRVCHW-UHFFFAOYSA-N 350.465 1.857 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)NCc1ccccc1 55348154 ONAQNOCQVOWHSS-CQSZACIVSA-N 366.421 1.161 0 40 FDAB Cn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12 1331637 SBHVYPCRBGNDPL-UHFFFAOYSA-N 357.439 1.686 0 40 FDAB Cc1cccc(N2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)c1 35335086 OJNKBYLMSQFSQY-UHFFFAOYSA-N 358.364 1.505 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc2n(c1=O)CCS2 12658473 DDLKCLMBKDNNBU-NSHDSACASA-N 362.363 1.332 0 40 FDAB biogenic C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCOCC1 58193953 ODSIWERBULMADE-NSHDSACASA-N 364.427 1.094 0 40 FDAB Cc1cccc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 108529910 KDAUMDUKZAKMFC-OALUTQOASA-N 352.438 1.901 0 40 FDAB CCC(=O)N1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 58356705 QZKVJGYSATVFIY-UHFFFAOYSA-N 356.426 1.176 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)NCCc2nccn2C(F)F)c1 58341009 IMQPFTGXLBOYAG-UHFFFAOYSA-N 372.397 1.549 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C2=O 58413468 LYMIGEAUXGYHCC-NTXUUIFSSA-N 367.446 1.493 0 40 FDAB O=C(CCn1cccn1)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100121224 AZZZRODOKPTVAN-YOEHRIQHSA-N 368.441 1.188 0 40 FDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccnc1N1CCOCC1 173436428 RYYAVVUWZATVMF-ZDUSSCGKSA-N 357.458 1.630 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(=O)O 95970166 QPLMIOWWFSHTDO-IAQYHMDHSA-N 356.444 1.377 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3ncccn3)CC2)c1 23731165 WQYPZWUCSQZNKZ-UHFFFAOYSA-N 360.483 1.689 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCCn3nc(C)cc3C)c(=O)[nH]c2c1 13002717 AAMSBBRGVXIWQT-UHFFFAOYSA-N 356.382 1.380 0 40 FDAB Cc1cc(NC(=O)CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)no1 13001969 UIEXLTMBIDODQE-KRWDZBQOSA-N 368.437 1.971 0 40 FDAB Cc1cc(C)n2nc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)nc2n1 13020965 RUHKZUQKIQVQSZ-AWEZNQCLSA-N 354.414 1.901 0 40 FDAB COc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 13100177 UCYWRJDXUNTNTL-IBGZPJMESA-N 353.378 1.736 0 40 FDAB CCOC(=O)c1sc(NC(=O)CSc2nnc(C)n2C)nc1C 13989404 KQZRSMJCKNKTMF-UHFFFAOYSA-N 355.445 1.796 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)C1 14095185 XVVGSRNOGNPFKM-SNVBAGLBSA-N 368.459 1.757 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 9254368 SNVOKPRIFWNSBS-UHFFFAOYSA-N 353.334 1.447 0 40 FDAB CCCn1nc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1=O 14248255 AXSHJSDIEFCZCL-UHFFFAOYSA-N 365.397 1.894 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1c[nH]c2ccccc12 14249311 AHTZEXSFCRYQMV-UHFFFAOYSA-N 362.389 1.530 0 40 FDAB COCCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 96005116 AHNIGQZDRDJGFZ-CQSZACIVSA-N 360.863 1.510 0 40 FDAB O=C(O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(F)cc2)c1=O)CCC3 6759653 FGWNCQXUVKJWMZ-UHFFFAOYSA-N 374.393 1.985 0 40 FDAB CCCC[C@H]1C(c2ccccc2)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n21 15106860 AEQXSZCIILJRAC-ZDUSSCGKSA-N 366.425 1.995 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1Cl 4975682 RXOSIIPYCZNQRC-ZDUSSCGKSA-N 363.845 1.725 0 40 FDAB Cn1c(SCC(=O)N2CCN(c3ccc(O)cc3)CC2)nnc1C1CC1 7229975 MLRIMWBJAMXYTI-UHFFFAOYSA-N 373.482 1.839 0 40 FDAB CCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)n[nH]c1=O 7344890 GQNBAOMDAZIRQN-UHFFFAOYSA-N 361.427 1.449 0 40 FDAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 16048271 GPRRGHBQYKVYPP-UHFFFAOYSA-N 372.450 1.689 0 40 FDAB COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306126202 DPKLHQPMWPYNSO-UHFFFAOYSA-N 373.457 1.476 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)NC2(CCCC2)C1=O 8390676 OPEDHKJEPHHYBR-UHFFFAOYSA-N 373.409 1.281 0 40 FDAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3C[C@@H]3CCCO3)nc12 8547752 QTJRFAMPWZMBBR-NSHDSACASA-N 358.427 1.689 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)Nc1cnn(CC(=O)NC3CCCC3)c1)CC2 95432739 VNILBIWDAUQMHM-ZDUSSCGKSA-N 371.445 1.043 0 40 FDAB CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(C)nc3OC)CC2)n1 95464511 KZFPMAVUOMRPIY-UHFFFAOYSA-N 371.441 1.858 0 40 FDAB CCN(CC)CCNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 22704599 AJPHLDHPXNDVMP-UHFFFAOYSA-N 360.458 1.001 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 20634600 VAKBEEXNGUPAND-AWEZNQCLSA-N 374.393 1.322 0 40 FDAB CC[C@@H](C)NC(=O)C1=CC(c2cccc(OC)c2)=NS(=O)(=O)N1C 20467476 GPGPJPKUZVJRAG-LLVKDONJSA-N 351.428 1.473 0 40 FDAB CSCC[C@@H](C(=O)N1CCOCC1)n1c(O)nc2ccccc2c1=O 524733077 RDJWJRXSAHLLEH-AWEZNQCLSA-N 363.439 1.255 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c[nH]1 524735643 PHUPZWCXFNSVFY-UHFFFAOYSA-N 359.773 1.935 0 40 FDAB Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)co1 187188991 AACMEBSISJZSQW-UHFFFAOYSA-N 357.414 1.177 0 40 FDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1cccc(Cl)c1 32647357 RCLSIOCLXRTWQL-UHFFFAOYSA-N 372.768 1.855 0 40 FDAB COc1cccc(-c2nnn(CC(=O)NCc3ccccc3)n2)c1OC 35289229 DDOZJPHICXTNCU-UHFFFAOYSA-N 353.382 1.674 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(CCN2CCOCC2)CC1 71122446 MWTKOUVADIJQJN-UHFFFAOYSA-N 360.502 1.192 0 40 FDAB COCCn1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)ccc1=O 48276010 WNXQCPXTUNDVGE-UHFFFAOYSA-N 366.421 1.653 0 40 FDAB CCOC(=O)N1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 40104271 BUJUMDUGXDLYQF-UHFFFAOYSA-N 360.414 1.885 0 40 FDAB CC(C)n1cc(NS(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)cn1 226744402 IVJQECDGPZSNPP-UHFFFAOYSA-N 372.834 1.782 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCc2ccc(OC)cc21 331563865 JRJKUHVDZNVJBL-ZFWWWQNUSA-N 352.456 1.265 0 40 FDAB O=C(O)C[C@@]1(C(=O)O)CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O 96318894 YEBVCWDLKFOAJG-MEBBXXQBSA-N 367.404 1.925 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cscn1)C2 96050312 CWQFMQZFFQIEEX-QGZVFWFLSA-N 357.439 1.101 0 40 FDAB CN1CCN(C[C@H]2CC[C@]3(COCCN(Cc4ccccc4)C3)O2)CC1 96160311 FPIFWDXHACCGHB-RTWAWAEBSA-N 359.514 1.684 0 40 FDAB Cc1oncc1C(=O)N1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2C 96199857 PKNKFWPBPVUDHI-HNNXBMFYSA-N 357.414 1.337 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1 96043091 YSNMROYOYGJSGR-YTQUADARSA-N 359.470 1.604 0 40 FDAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 96062369 NMXOEXDSXILRKN-IBGZPJMESA-N 355.442 1.180 0 40 FDAB CN1CCC(c2nccnc2CNC(=O)c2cnn3cccnc23)CC1 257272728 NDPBHESFYXMKDR-UHFFFAOYSA-N 351.414 1.259 0 40 FDAB CC(C)Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)on1 257326630 WXYOTBJCWIQQKM-IBGZPJMESA-N 358.442 1.982 0 40 FDAB O=C(C1=Cc2ccccc2OC1)N1CCOC[C@H](Cc2ccncn2)C1 257236827 HDYOEIYUBPQZCA-OAHLLOKOSA-N 351.406 1.970 0 40 FDAB COC1(CNS(=O)(=O)c2cnc(NC(C)=O)s2)CCSCC1 252498995 RSXUKFJRTVYBOP-UHFFFAOYSA-N 365.502 1.292 0 40 FDAB CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 265264187 ZOOSTUKBNCPEBI-OLZOCXBDSA-N 368.455 1.383 0 40 FDAB COC[C@H](NC(=O)c1cnc2ccc(OC)nn12)c1cccc(OC)c1 617966704 PLBIFCWEGVQRJI-AWEZNQCLSA-N 356.382 1.864 0 40 FDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cn(C)cn1)CC2 630162191 YOLFIXHPCQFVOM-CQSZACIVSA-N 359.382 1.652 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(-c3cncc(Cl)c3)nn2)CC1 641047646 NQMJCBKYNQCDAB-UHFFFAOYSA-N 362.865 1.983 0 40 FDAB Cc1ncc(C(=O)N(CCO)Cc2cncn2C)c(-c2ccccc2)n1 1704311914 WQVIXEAOOJKHER-UHFFFAOYSA-N 351.410 1.820 0 40 FDAB O=C(O)[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 647742215 JAZFOZYBIHJPRB-NXEZZACHSA-N 366.171 1.836 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CC1(CCN(C(=O)C3(F)CCC3)CC1)C2 585105957 CMQCRQINRRPMQM-UHFFFAOYSA-N 364.421 1.043 0 40 FDAB COc1cc([C@]2(C)NC(=O)N(CN3CCCC3)C2=O)cc(OC)c1OC 57289873 WPPMSTBBEWZHEL-SFHVURJKSA-N 363.414 1.533 0 40 FDAB CS(=O)(=O)NCC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 585082205 CKDWBGXFVFOQNZ-CVEARBPZSA-N 354.447 1.717 0 40 FDAB CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 632374329 OAEPVWZWLBTOCD-LBPRGKRZSA-N 355.382 1.848 0 40 FDAB O=C([C@H]1CCCN1c1ncnc2sccc12)N1Cc2cncnc2C1 566468489 DATYCWIEZZMPPL-CQSZACIVSA-N 352.423 1.993 0 40 FDAB CC(C)(O)CC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615121897 PEHVBNAPKPHVIW-UHFFFAOYSA-N 364.417 1.711 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159974 QNRYFDOLZPKHJT-IBGZPJMESA-N 352.394 1.515 0 40 FDAB CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594866 BVWLXSLFXRUZEP-FVQBIDKESA-N 360.445 1.600 0 40 FDAB COCCN1C(=O)CC2(CCN(Cc3cc(C)on3)CC2)n2nccc21 1772596554 SBWPMWVWXIOSHT-UHFFFAOYSA-N 359.430 1.554 0 40 FDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 5242034 OIYZYZLAARYXQL-UHFFFAOYSA-N 359.367 1.711 0 40 FDAB Nc1nc(COC(=O)CN2CCSC2=O)nc(Nc2ccccc2)n1 5323681 QWNQMUWLPGERNE-UHFFFAOYSA-N 360.399 1.409 0 40 FDAB Cc1nnc(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)o1 5571858 IYBUTQNCSUJIQE-UHFFFAOYSA-N 365.411 1.522 0 40 FDAB Cc1nc2ccccc2c2nn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)n12 12144986 YNZZGSMNYIDGGY-CHWSQXEVSA-N 353.426 1.857 0 40 FDAB NC(=O)Cn1cc(CN2CCC(N3CCOCC3)CC2)c2ccccc21 19376105 YEOPIZUSBSVFTN-UHFFFAOYSA-N 356.470 1.423 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N3CCCOCC3)c2C1 19711467 ANYLCESDTQDWIR-MRXNPFEDSA-N 373.501 1.417 0 40 FDAB CC1CCN(C(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 3253004 MALSZVMNLAPGNV-ZDUSSCGKSA-N 358.394 1.473 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)nn12 1888897432 BSSVYJLMRWECDG-GASCZTMLSA-N 364.457 1.666 0 40 FDAB c1cc2c(N3CCN(c4nccc(N5CCCC5)n4)CC3)ncnc2cn1 1889186481 MBXWSFAGYUUHBS-UHFFFAOYSA-N 362.441 1.742 0 40 FDAB Cn1cc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037838277 ALIBTHAHYFNMKM-UHFFFAOYSA-N 358.417 1.957 0 40 FDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cscc2Br)C1 630413967 SXZIUIKSYBQSDP-SSDOTTSWSA-N 354.247 1.996 0 40 FDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)O1 1614935354 WFTLUQMTDAQLRH-FUHWJXTLSA-N 351.422 1.101 0 40 FDAB NC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5438648 JKUXEDZLKOLYSE-UHFFFAOYSA-N 373.434 1.968 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cc(O)ncn2)C1 2055751435 XIOIZOHDNMLPCG-IBGZPJMESA-N 369.425 1.357 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3[C@H](CC(=O)NC4CC4)OC[C@H]3C2)cn1 2055751128 KSWKOXIJYDHSQN-OLMNPRSZSA-N 357.454 1.790 0 40 FDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575617414 PJXRTGPWZJLHEZ-OAHLLOKOSA-N 350.378 1.507 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 6342342 XFYVUTWRZYOMNA-UHFFFAOYSA-N 358.375 1.370 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 40071946 OAHDHZLPAMKVOA-GOSISDBHSA-N 373.497 1.844 0 40 FDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 30344990 CNEJNIFEWDFBDD-BFUOFWGJSA-N 371.393 1.495 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)c1c[nH]c(C(=O)N2CCCC2)c1 51200264 NKCJSSZUPCGLAM-UHFFFAOYSA-N 364.409 1.761 0 40 FDAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@@H]3CCCO3)nn1C)C2 32091817 LOQMGTKECQDKQI-LBPRGKRZSA-N 357.410 1.917 0 40 FDAB CC(C)c1nnc2ccc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)nn12 20735548 SZOBOJFTARWLJQ-OAHLLOKOSA-N 372.473 1.759 0 40 FDAB Cn1c(=O)ccn(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1=O 32993311 MELBRBKAHVHSBK-GOSISDBHSA-N 363.417 1.647 0 40 FDAB CN(C)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)C1CCCCC1 46949171 GVZAWNKCEXOJDL-LSDHHAIUSA-N 362.561 1.533 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 92771765 BIYHJTVKFPAHHR-DLBZAZTESA-N 365.499 1.191 0 40 FDAB Cc1c(Cl)cccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4386368 VEHXGVYHVBHVMB-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB CC1(C)O[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]3COC(=O)O3)O[C@@H]2O1 4783397 PNZYAHZGYPKPDY-MJDBTJCESA-N 350.323 1.624 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 983601 AXTNFJDCHUHUNI-UHFFFAOYSA-N 366.439 1.909 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6957840 CXXQHJJCUWTICA-UHFFFAOYSA-N 372.487 1.685 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 104805711 GTZDHPKNXUYVJT-KGLIPLIRSA-N 359.426 1.635 0 40 FDAB Cn1/c(=N\C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2ccccc21 104992807 LNFJKOGQJWMXNN-KLNNITMPSA-N 357.435 1.842 0 40 FDAB CC(C)(C)n1nnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 8250454 KOINAIYXKWRLHX-LLVKDONJSA-N 363.443 1.476 0 40 FDAB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)Nc1ccc(Cl)cn1 54991636 ZHNDZXNNAGYBIF-JTQLQIEISA-N 364.755 1.816 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2ncccn2)CC1 24433631 QFOIMCQODSHZBZ-UHFFFAOYSA-N 367.331 1.006 0 40 FDAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2c(cc1O)CCCC2 84338807 LJXMXZDTMKKCNS-UHFFFAOYSA-N 370.453 1.786 0 40 FDAB Cc1noc(C)c1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 25131133 UPYZVQGOCAMJPX-UHFFFAOYSA-N 357.819 1.653 0 40 FDAB Cn1cc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cn1 25306630 DWMNSFMCICBYCV-LBPRGKRZSA-N 373.438 1.220 0 40 FDAB O=C(CCc1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 35338710 LYLOMFDPHVJSII-UHFFFAOYSA-N 368.481 1.867 0 40 FDAB COC(=O)C1=C(C(=O)OC)[C@]2(OC(C)=O)C=C(OC(C)=O)[C@@H]1C(C)(C)C2 100119715 SYWZUHNZDYUYCY-UGSOOPFHSA-N 366.366 1.438 0 40 FDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 44621205 VXNQXRZVMUXHGT-MFKMUULPSA-N 362.398 1.889 0 40 FDAB O=C(COC1CCCC1)NCCC(=O)N1CCN(c2ccccn2)CC1 58289604 OEPWMVDFIZQLBU-UHFFFAOYSA-N 360.458 1.196 0 40 FDAB CCNC(=O)NC(=O)CN[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1 58280793 CPESNTXGAVBRSK-QGZVFWFLSA-N 360.458 1.422 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)CC1 58393117 LCWASPIRSMGZIE-OAHLLOKOSA-N 373.453 1.517 0 40 FDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)c1ccc(F)c(F)c1 58428668 DFESHQFESHDDKM-IINYFYTJSA-N 362.398 1.888 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCc1cn2cc(Cl)ccc2n1 28941049 UPYWRQFHWRTWRP-UHFFFAOYSA-N 362.773 1.349 0 40 FDAB Cc1ccc2cc(-c3noc(CCC(=O)N4CCOCC4)n3)c(=O)[nH]c2c1 20900107 PTIJQFVKJZQJSQ-UHFFFAOYSA-N 368.393 1.678 0 40 FDAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N[C@H](C)CN1CCOCC1 22266912 YIJROOFUBIRRIC-SECBINFHSA-N 350.797 1.619 0 40 FDAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccn(CCc2ccncc2)n1 60335182 SJCXVTILHPHOEJ-ZDUSSCGKSA-N 350.444 1.673 0 40 FDAB CCOCCCNC(=O)[C@H](NC(=O)c1cnccn1)c1ccc(OC)cc1 3626131 ABRPDYUZUHZPQW-QGZVFWFLSA-N 372.425 1.499 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 306125205 CJDYSIMLMNOVBM-ZIAGYGMSSA-N 355.417 1.614 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13324260 RKFQNAMPCDHHKF-HNNXBMFYSA-N 354.809 1.871 0 40 FDAB CS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccccc3C(=O)O)cc21 71285402 NSUMDVFDYSBUQB-UHFFFAOYSA-N 374.418 1.888 0 40 FDAB COC(=O)CNC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49548134 FVXMSWAJWBQXCH-UHFFFAOYSA-N 360.320 1.844 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1 5267393 KXOCALZZVUIFET-UHFFFAOYSA-N 359.407 1.990 0 40 FDAB CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14135993 KHOWAMKYFIBDBY-UHFFFAOYSA-N 368.455 1.337 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(C)c1 14170087 NSLQADCPGDWVLZ-UHFFFAOYSA-N 364.427 1.002 0 40 FDAB CCc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4732113 OMWZGLQPRRPPHF-UHFFFAOYSA-N 355.398 1.025 0 40 FDAB O=C1CNC(=O)N1CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851040 BFSDCMVIIONPNL-ZDUSSCGKSA-N 358.225 1.919 0 40 FDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 6908826 FJOJKKNYVRFOPG-NTCAYCPXSA-N 353.382 1.407 0 40 FDAB CC1=NN(C(=O)c2nn(C)c(C)c2Br)[C@](O)(C(F)(F)F)C1 7077896 RPYVVRXQOKOGRW-SNVBAGLBSA-N 369.141 1.964 0 40 FDAB O=C1C=C(N2CCC(CCN3CCOCC3)CC2)C(=O)N1c1ccccc1 19890152 PMFBPSTZAYDVEH-UHFFFAOYSA-N 369.465 1.878 0 40 FDAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 96833018 MSSAMKDJHLSIEQ-SFHVURJKSA-N 372.513 1.952 0 40 FDAB CC[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1cc(C)on1 8705207 PGPOGMLBIMDJOS-ZCFIWIBFSA-N 350.326 1.817 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1F 95482689 SGMIYLPQDHVZRC-CYBMUJFWSA-N 372.404 1.475 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)C(c3ccccc3)c3ccccc3)C2)nn1 95997860 RDWCZDAGYXXTBQ-UHFFFAOYSA-N 361.405 1.592 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 24474850 HYRDMFMRUOZOKZ-UHFFFAOYSA-N 355.398 1.144 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)COCc2ccco2)c1=O 25243640 JGCRZNBQWZVDFW-SECBINFHSA-N 360.288 1.137 0 40 FDAB O=C([C@@H]1CCc2nnc([C@@H]3CCN(c4ncccn4)C3)n2C1)N1CCCC1 306140481 UUQQUPCSWJUNQZ-HUUCEWRRSA-N 367.457 1.247 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)no1 36408103 KRHFRAYAKKLTHP-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB Cc1c2nnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2nn1C 32647432 YQWGBNPZXGMAIT-UHFFFAOYSA-N 366.303 1.491 0 40 FDAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nnc(C)s1 40287762 HBEXROJYWHLWAY-QGZVFWFLSA-N 371.422 1.784 0 40 FDAB COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 323201644 KTBATCAFYQPNNR-GFCCVEGCSA-N 357.350 1.651 0 40 FDAB CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261494 IAMAYJZIYGUXGB-SOLBZPMBSA-N 367.515 1.723 0 40 FDAB CC[C@H](C)[C@H](OC)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 331673816 QVNZDLUQOKYRKE-UHOSZYNNSA-N 373.497 1.997 0 40 FDAB CN(Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(c3ncccn3)C2)O1 96100465 RUROKPCKXOUDDN-IEBWSBKVSA-N 358.442 1.956 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2ccn(C)n2)C3)nc1 248108664 GQBHPGUGXCTLIM-CQSZACIVSA-N 356.430 1.252 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248162977 YLEOYBPTSOYFKB-QGZVFWFLSA-N 371.485 1.510 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3cnco3)c2)N1 257297729 RIPVTFMNEMGSRG-QRTARXTBSA-N 356.382 1.711 0 40 FDAB c1cc(C[C@@H]2COCCN(Cc3ccnc(N4CCCC4)n3)C2)ncn1 257236600 HCXPQPWKPRRYAN-INIZCTEOSA-N 354.458 1.558 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccc(C)n(C)c1=O 257273357 NGEXEOPOTGZCHX-OAHLLOKOSA-N 356.426 1.266 0 40 FDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1cccc(F)c1 257315871 VDBJQPQREVTKLI-LJQANCHMSA-N 358.417 1.648 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1c(C)nn(C)c1C 257267278 MGPHSVMLMOROGB-MRXNPFEDSA-N 357.458 1.538 0 40 FDAB Cc1nccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)n1 257326843 WYVFHTRIBQRHOA-OAHLLOKOSA-N 351.410 1.993 0 40 FDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1cccnc1 257324490 WOWRLMYWKVYBAD-LJQANCHMSA-N 355.442 1.294 0 40 FDAB O=C(Nc1cc(-n2cncn2)ncn1)c1ccc(N2CCOCC2)cc1 96025262 REGHVTJFUBRSGJ-UHFFFAOYSA-N 351.370 1.146 0 40 FDAB CO[C@@H]1CCN(c2ccc(NC(=O)Cn3cnc(C)c(C)c3=O)cc2)C1 96122312 XXTFLJSKNBWITN-QGZVFWFLSA-N 356.426 1.724 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 585285851 UMWCVMIVETZBEK-PZJWPPBQSA-N 372.440 1.482 0 40 FDAB O=C(c1n[nH]cc1Cl)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585276781 IWGGMVUUYHCVIR-MRXNPFEDSA-N 353.781 1.648 0 40 FDAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)N3CCCCO3)C2)c1 585096137 UFMMLIDDTNKXTO-QGZVFWFLSA-N 354.410 1.943 0 40 FDAB C[C@@H]1CCCCN1C(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 72263786 IUQCWXJKFYICGN-LLVKDONJSA-N 361.427 1.854 0 40 FDAB COC[C@H](O)CN1CCC(NC(=O)Nc2nc3c(s2)CCCC3)CC1 89682737 PDSHSLYWFQFLCO-CYBMUJFWSA-N 368.503 1.615 0 40 FDAB COc1ccnc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 631069332 PZFRLHDJPIZEKA-UHFFFAOYSA-N 351.414 1.732 0 40 FDAB Cc1cc2n(n1)C1(CCN(S(C)(=O)=O)CC1)CC(=O)N2CC1CC1 1772596497 MQWJYXCYCSURDH-UHFFFAOYSA-N 352.460 1.089 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc3c(c2)OCO3)NC(=S)N1 5783724 XOWFSFVHBAVPQH-OAHLLOKOSA-N 361.423 1.067 0 40 FDAB Cc1ccc(N2CCn3c2nnc(C(=O)NC[C@H]2CCCO2)c3=O)cc1 12233732 QCKMCDNLHHCZCA-CQSZACIVSA-N 355.398 1.007 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12258201 UIMAXXIBYFMLFG-UHFFFAOYSA-N 365.368 1.906 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 12519914 WGOVVAHNYKAPCJ-UHFFFAOYSA-N 372.410 1.236 0 40 FDAB O=c1nc2s/c(=C\c3ccc(F)cc3)c(=O)n2nc1Cc1ccccc1 12948362 JCGIOZPTUSTFHI-WJDWOHSUSA-N 365.389 1.789 0 40 FDAB O=C(CN1CCCCCC1)NCCn1nc([C@H]2CCNC2)c2cccnc21 19346763 JWAUMHDTKBXJLO-INIZCTEOSA-N 370.501 1.500 0 40 FDAB Cn1c(CN2CCOCC2)nc2cc(NC(=O)[C@]3(C)CCCO3)ccc21 19461233 QNWCYJGUHNMGKP-IBGZPJMESA-N 358.442 1.913 0 40 FDAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cn1ccnc1 19583470 PSTDBOBQLYCMLI-UHFFFAOYSA-N 370.432 1.764 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602474 ZVFPRBXSXPOLLP-UHFFFAOYSA-N 371.441 1.351 0 40 FDAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC1CCCC1 5339502 ATICJYROTXLHGW-UHFFFAOYSA-N 351.428 1.224 0 40 FDAB CN1c2ccc(F)cc2N(CCNC(=O)CCC(F)(F)F)S1(=O)=O 575611967 JEYAQRQQXHHTSZ-UHFFFAOYSA-N 369.340 1.785 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3nc(-c4cccnc4)cs3)cnc21 11811086 AFYKISYOOCSOEB-UHFFFAOYSA-N 367.394 1.287 0 40 FDAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 21710435 UATQGEKCQWBLGP-CYBMUJFWSA-N 353.444 1.046 0 40 FDAB COc1ccc(CN2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)cc1F 2037984302 WZNCBQFLDTUFQD-LJQANCHMSA-N 366.433 1.673 0 40 FDAB CNC(=O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 2056225699 YVWLEQFBEUGPEZ-SFHVURJKSA-N 354.454 1.847 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 1614935817 XFJGRNMZZGMETA-OAHLLOKOSA-N 370.446 1.529 0 40 FDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cc(F)ncc3F)CC2)C1=O 1565554791 FLDNHLGCXIPGCT-SFHVURJKSA-N 367.396 1.851 0 40 FDAB C[C@H](c1ccccc1)N1CCC[C@]2(CN(CCS(C)(=O)=O)C2=O)C1 1565542226 DATVNECJOHPLTH-CRAIPNDOSA-N 350.484 1.717 0 40 FDAB Cc1c(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)nc2ccccn12 1565555098 ROCCACMOFFGBCX-BZUAXINKSA-N 368.437 1.495 0 40 FDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3cc(OC)no3)CC2)CO1 1565552201 MNKRXBYZUBIYJK-GFCCVEGCSA-N 366.418 1.014 0 40 FDAB CCn1c(=O)c2c(nc3n2CCN3c2cc(OC)ccc2OC)n(C)c1=O 5252110 YUJHLJFTZMSRIU-UHFFFAOYSA-N 371.397 1.086 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 10970525 SIMVNWJINGCWTF-LBPRGKRZSA-N 366.399 1.424 0 40 FDAB CCn1nnc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)cnc21 13531414 UGOGHZJHROSORO-UHFFFAOYSA-N 362.777 1.309 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(CCc2ccccc2)CC1 2055708066 CFZMHDOCDHBILJ-UHFFFAOYSA-N 356.470 1.680 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cc(C)cc(C)c2)CC1 2055746193 XNHNPPFYOWLRHG-UHFFFAOYSA-N 355.486 1.652 0 40 FDAB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907307 DDGJANUTPLHRTN-KRWDZBQOSA-N 371.437 1.258 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@](C)(O)c3cccs3)cc21 96025996 GLGZUKGUZGNKHW-HNNXBMFYSA-N 368.436 1.379 0 40 FDAB Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)cc1-n1cnnn1 40104921 XZGFYQSMVQLIPY-HNNXBMFYSA-N 355.402 1.988 0 40 FDAB COC(=O)CCNS(=O)(=O)c1ccc(OC)c(Br)c1 40413546 RFGLMKFHKFLFGB-UHFFFAOYSA-N 352.206 1.299 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCOCC3)c2c1 31809796 ALFNROFHRDMUBC-REMYHPOOSA-N 373.365 1.205 0 40 FDAB O=C(COC(=O)c1cc(F)c(F)c(F)c1F)N[C@@H]1CCCCNC1=O 51387323 ZKUFJTONKLYZEE-SECBINFHSA-N 362.279 1.185 0 40 FDAB COc1cc2ncn(CC(=O)Nc3nc(C)cs3)c(=O)c2cc1OC 20746034 VISLKLKRQYTEQB-UHFFFAOYSA-N 360.395 1.817 0 40 FDAB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1 101507701 JLFILQCWJJQEEM-RDJZCZTQSA-N 352.346 1.996 0 40 FDAB CC(C)C[C@H](C(=O)N(C)Cc1cnn(C)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102012343 GTNHWHLLJKXUEF-IXDOHACOSA-N 372.469 1.744 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1(C(=O)O)CCCCC1 102396028 ZLAPEFBYNBIBAI-STQMWFEESA-N 350.415 1.455 0 40 FDAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1nnnn1C1CC1 32929887 IPRHHNROFRSCAJ-VIFPVBQESA-N 369.834 1.603 0 40 FDAB CCOc1ccc(-c2noc(CN3CCc4nn(C)c(=O)cc4C3)n2)cc1 78619847 GDWKFUQAUWJHOP-UHFFFAOYSA-N 367.409 1.787 0 40 FDAB NS(=O)(=O)c1cccnc1N1CCC(OCCc2ccccc2)CC1 78674465 KYDBPZJKUBJTCD-UHFFFAOYSA-N 361.467 1.957 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc12 22885811 DPKXEGZNAPMHFQ-UHFFFAOYSA-N 373.438 1.495 0 40 FDAB CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6345345 VXCHLJXVYUQXBZ-LBPRGKRZSA-N 362.879 1.938 0 40 FDAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 6997477 JJXHVLZADIMCBB-UHFFFAOYSA-N 367.496 1.186 0 40 FDAB COc1ccc(CCNC(=O)COc2ccc(-n3cnnn3)cc2)cc1 7251452 YKLQXLAPANIKNA-UHFFFAOYSA-N 353.382 1.409 0 40 FDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 24715224 SFZGEZSEOQGFRD-UHFFFAOYSA-N 365.798 1.922 0 40 FDAB COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 12560542 ORQKNVYODFBJEZ-UHFFFAOYSA-N 360.391 1.733 0 40 FDAB CN(Cc1ccc(Cl)nc1)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456097 BGGSVGZKLTVHSV-YXAMBPQSSA-N 359.813 1.501 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)NCc2ccco2)CC1 58158343 CKACKCIAJCPRKN-CYBMUJFWSA-N 373.409 1.546 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)OCC(=O)N2 48249321 AKPNVYDHIQLLMS-ZDUSSCGKSA-N 354.362 1.930 0 40 FDAB CCC(=O)NCC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 58228756 VKYHSHBKGRRWKM-SECBINFHSA-N 371.231 1.924 0 40 FDAB Cc1csc([C@](O)(CC(=O)N[C@H](C)Cn2cccn2)C(F)(F)F)n1 58226880 IEKDCUZZQWFEKQ-NOZJJQNGSA-N 362.377 1.993 0 40 FDAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 52412171 RXNVVCLIUDPPOD-CYBMUJFWSA-N 364.357 1.836 0 40 FDAB CCOC(=O)CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)OCC 12874764 CXJNJJKHSNZRGR-WFASDCNBSA-N 369.389 1.984 0 40 FDAB CNC(=O)C1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCCCC1 59325808 SGAIFEWZFBGZJG-UHFFFAOYSA-N 357.454 1.988 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3408375 OFTVMYKOKKYZRE-UHFFFAOYSA-N 372.358 1.749 0 40 FDAB NS(=O)(=O)NC[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 60371286 WAIRVGBKJHBUEH-QMMMGPOBSA-N 372.800 1.763 0 40 FDAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(=O)NC1CCCC1 3514214 OEVHFPFKUJTCGF-UHFFFAOYSA-N 369.805 1.856 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)cc1 12982353 LSNKYULIIPUPKC-VMPITWQZSA-N 374.466 1.275 0 40 FDAB COC(=O)c1sc(NC(=O)COC(=O)[C@H]2C[C@H]2C)c(C(=O)OC)c1C 6084231 JCWRKABRZHHNKZ-APPZFPTMSA-N 369.395 1.767 0 40 FDAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1 14201481 LACTUZNXQGKBIM-UHFFFAOYSA-N 359.426 1.213 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2c(c1)OCO2 14363497 NOEVIDWCFPHAPG-UHFFFAOYSA-N 362.407 1.596 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2csc3ncnn23)cc1C 6758301 OFGUYOFKMTYTLH-UHFFFAOYSA-N 352.441 1.629 0 40 FDAB CN(CC(=O)Oc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 6949031 PBOFYSMLDSDLSF-UHFFFAOYSA-N 367.354 1.781 0 40 FDAB CC(=O)Nc1ccccc1OCC(=O)NC[C@@H]1COc2ccccc2O1 7171437 KZLXDVSVOIMKND-CQSZACIVSA-N 356.378 1.980 0 40 FDAB COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nncn2CC(C)C)cn1 84575421 WSKUDSULDPPDJD-AWEZNQCLSA-N 372.429 1.640 0 40 FDAB C[C@@H](c1cccc(O)c1)N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 69504621 YPSDTMKUCWBABU-AWEZNQCLSA-N 362.474 1.647 0 40 FDAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H](C(=O)N2CCOCC2)C1 23315634 LXYSRLDMHDVHFK-ZDUSSCGKSA-N 362.455 1.036 0 40 FDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cnn(Cc2ccccc2)c1 97013305 XMITUVUOFCEXNB-OAHLLOKOSA-N 358.427 1.336 0 40 FDAB Cc1nc([C@@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCO2)no1 95958056 UBHKYZDYLWDYMV-HNNXBMFYSA-N 356.382 1.438 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc2[nH]nnc2c1 75104627 VHYFLJHHZNIOKE-UHFFFAOYSA-N 359.773 1.988 0 40 FDAB COCCN1CC[C@]2(c3ccccc3)CCN(C(=O)COC)[C@H]2CC1=O 306142708 XGZAGZILHHUFGW-FXAWDEMLSA-N 360.454 1.441 0 40 FDAB NC(=O)C1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335761 BCLWOFNRNWUTKY-UHFFFAOYSA-N 359.411 1.128 0 40 FDAB CN1CC[C@@H](NCc2ccccc2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 306123776 AWJAUMPQCRFYIS-UYAOXDASSA-N 356.470 1.522 0 40 FDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 72390939 AEDVZKRVGQMXEO-ZDUSSCGKSA-N 368.485 1.783 0 40 FDAB O=C(O)CCN(C(=O)CCCc1ccc2c(c1)CC(=O)N2)C1CCOCC1 558921711 QHIVMYMZKDTCHK-UHFFFAOYSA-N 374.437 1.986 0 40 FDAB O=C(Nc1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)co1)C1CC1 75157931 VJGCMDGTWHMWKF-UHFFFAOYSA-N 358.354 1.214 0 40 FDAB COc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1OC 224307569 RSGGVOADLPYABO-UHFFFAOYSA-N 371.441 1.522 0 40 FDAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2c2ncon2)c1 329972802 ZGJFHEDPORZICA-NWANDNLSSA-N 359.382 1.790 0 40 FDAB COC(=O)N1CCN(CCNC(=O)Cc2cccc3ccccc23)CC1 44227068 QMKOIJYXMZVJLX-UHFFFAOYSA-N 355.438 1.883 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040467 JKROJPUXOTYSPG-DOTOQJQBSA-N 352.456 1.824 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)c1ncc[nH]1 257310183 UEAWJZDYVGPVPP-NCOADZHNSA-N 374.416 1.324 0 40 FDAB CN1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C(=O)O)CC1 256049139 YJROOLOZLPPRMS-UHFFFAOYSA-N 355.320 1.736 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)ncn1 257262334 LKZCPDFFOCEBBF-OAHLLOKOSA-N 352.398 1.302 0 40 FDAB CN(C(=O)c1ccccc1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257315576 VCAGCCDCECZPKW-IPYPFGDCSA-N 352.398 1.245 0 40 FDAB CNc1cncc([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257280708 OMAHZTCARNXDCX-AWEZNQCLSA-N 350.382 1.732 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2F)CCOCC1 257308461 TWUDBLKKVKVUSK-CQSZACIVSA-N 355.431 1.468 0 40 FDAB CNc1nccnc1[C@H]1CN(Cc2cnn3c(C)cc(C)nc23)CCO1 257235167 GWSZRAIFJDBDJA-OAHLLOKOSA-N 353.430 1.751 0 40 FDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3c(C)noc3C)C2)ncn1 257289738 PZZHPHJRLKGRPE-SFHVURJKSA-N 359.430 1.493 0 40 FDAB CCc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)nn1C 1116522971 HVYWGAKIHRPELE-SFHVURJKSA-N 360.433 1.925 0 40 FDAB NC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)O1 636784261 WKBQNDCWHGQTNH-DLBZAZTESA-N 372.469 1.858 0 40 FDAB O=C(NCCn1cnc2ccccc2c1=O)NCc1ccc2c(c1)OCO2 604419546 JKDKUPYRVZTTCU-UHFFFAOYSA-N 366.377 1.625 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CCC2CCCCC2)C1 649633595 YCDJURXVKZLBLF-AWEZNQCLSA-N 352.522 1.300 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1=O 677976574 WPXRQGJITYNQPN-ZDUSSCGKSA-N 374.445 1.062 0 40 FDAB O=C1N[C@H]2CCC[C@H]2NC(=O)C2(CC=CCOc3ccccc31)CNC2 1772770640 HVJSPINWXPZUMQ-JKSUJKDBSA-N 355.438 1.382 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1cc2ccccn2c1 1775957023 AFLVKUXAEFTQQB-GJZGRUSLSA-N 355.398 1.859 0 40 FDAB Cn1nccc1C(=O)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585112884 XVSXZWILMBJMDU-CQSZACIVSA-N 354.414 1.587 0 40 FDAB Cn1cnc(C(=O)N2Cc3cn(CC4CC4)nc3[C@@H](COCC3CC3)C2)n1 585110933 AEYZVOYBUTZHCP-MRXNPFEDSA-N 370.457 1.588 0 40 FDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1 96298833 LCOUKSZPXQEMLP-KBPBESRZSA-N 358.442 1.498 0 40 FDAB Cn1nccc1[C@@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCO1 1262292387 VPOSWEPNYIDULT-ZFWWWQNUSA-N 360.418 1.259 0 40 FDAB O=C1OC[C@H](COC(=O)c2cccc(C(=O)OC[C@H]3COC(=O)O3)c2)O1 149240825 SFRGFIRELCGFHG-RYUDHWBXSA-N 366.278 1.071 0 40 FDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCCC3)CC2)Oc2ccccc21 12086254 QQVLAWMWOIFACN-HXUWFJFHSA-N 371.437 1.530 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCOc1ccccc1 13071772 GYQASENRJKQTCH-UHFFFAOYSA-N 351.380 1.751 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13573431 GHLXWEHCRWFQQO-XTKNHCGNSA-N 355.438 1.842 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19501985 ZHTHIOFSQYRLSB-NUXNZHGMSA-N 364.829 1.927 0 40 FDAB CCCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19502166 KNQLHHBPRIXNKV-ZKNHNOBHSA-N 374.437 1.760 0 40 FDAB COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 19594183 DLYXVLYXKFAUEI-UHFFFAOYSA-N 370.379 1.661 0 40 FDAB Cc1nc2nc(-c3ccc(NC(=O)[C@H]4CC(=O)N(C)C4)cc3)cn2nc1C 19657324 CMIJADXMWNQQRT-AWEZNQCLSA-N 364.409 1.825 0 40 FDAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1C 13792711 MGZJGEJTKQSPEF-LLVKDONJSA-N 374.484 1.986 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)O)[C@H]1O 252463531 AGWIINKICRXDEB-GJWFJWDNSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro O=S(=O)(NC1CCN(c2ncc(Br)cn2)CC1)C1CC1 1888866253 IKPVGVTWZAQSBW-UHFFFAOYSA-N 361.265 1.290 0 40 FDAB Cc1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc(-n2cccn2)n1 1888869821 GTNHPZDOEJNOQP-UHFFFAOYSA-N 356.821 1.741 0 40 FDAB Cc1c(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cnn1C 2037978115 BQTGEYUTSKFOHQ-QAPCUYQASA-N 368.437 1.623 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1ccccc1F)C(F)(F)F 4653796 QEVIVYMOLANIDP-AWEZNQCLSA-N 360.263 1.433 0 40 FDAB Cc1csc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)n1 17144044 GPJWWJYAFVHCAU-UHFFFAOYSA-N 354.442 1.350 0 40 FDAB Cc1ccc(C(=O)N2CCc3ncc(CNC(=O)C4CCC4)n3CC2)cn1 2055772181 DLKALRREISHWGX-UHFFFAOYSA-N 367.453 1.701 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1 2055837522 YKGDVYJLTPRGAO-UGSOOPFHSA-N 353.382 1.595 0 40 FDAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NCCN1CCOCC1 49382417 PFNASKWYCKRDBT-UHFFFAOYSA-N 366.849 1.030 0 40 FDAB O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 75172002 FMZUBNFCTDNBIX-GFCCVEGCSA-N 358.272 1.967 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 40009915 AOKYIVGIKDSHMO-CALCHBBNSA-N 373.497 1.958 0 40 FDAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)nc12 31631920 BDZCLAMGLMLXIY-HXUWFJFHSA-N 362.389 1.970 0 40 FDAB COC(=O)c1c(SCC(=O)NCCc2ccccc2)nc(=O)[nH]c1C 31618306 SSGRGKFIIAHUCE-UHFFFAOYSA-N 361.423 1.316 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CC(F)(F)F)C2=O)c(C)c1 32777538 NOBRWDBWLAJKSM-UHFFFAOYSA-N 357.288 1.595 0 40 FDAB Cc1cc2[nH]cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c(=O)n2n1 102659014 VMBVQFURHMZCRZ-CQSZACIVSA-N 355.398 1.491 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)n2n1 52930179 CACSBFHZMAKIAL-AWEZNQCLSA-N 364.471 1.233 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCOc1cccc(Cl)c1 47023779 LFTDMSYROYMTDR-CYBMUJFWSA-N 363.888 1.755 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C(C)=O)c1C 22587123 JDEWJGBPKUPKBW-UHFFFAOYSA-N 367.471 1.622 0 40 FDAB c1ccc(Oc2nnnn2[C@H]2CO[C@@H]3[C@@H](NCc4ccco4)CO[C@H]23)cc1 4259739 ZTBCUDXSOKEZSZ-MWDXBVQZSA-N 369.381 1.556 0 40 FDAB biogenic,in-vitro O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)NC[C@@H]1CCCO1 4853675 FHEMMVPKLWOIGY-JTQLQIEISA-N 373.431 1.324 0 40 FDAB CCCCC[C@H]1[C@@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897393 DLUUCPGURIULFB-QWHCGFSZSA-N 371.430 1.357 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c12 6412842 KQDWBQAGZRGCRP-BJPCUFFRSA-N 366.299 1.952 0 40 FDAB NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 7916245 WBPJQMACTQCMCW-KRWDZBQOSA-N 369.421 1.863 0 40 FDAB CCOc1cc(C(=O)NCCO)cc(I)c1OC 107779992 SSBJRQUYJYDZPW-UHFFFAOYSA-N 365.167 1.421 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nncn2-c2ccccc2)C1=O 12533443 NYEZRWYFGPCIDK-INIZCTEOSA-N 374.426 1.111 0 40 FDAB Cc1ccc(OCCNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 10963296 FJXCCVFZOKEACZ-UHFFFAOYSA-N 367.405 1.856 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c(OC)c1 24478711 QOSMSCRCHXJCBL-CQSZACIVSA-N 372.425 1.449 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 55947032 ANISAKWRIQWHJO-UHFFFAOYSA-N 362.451 1.852 0 40 FDAB CCS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 58048887 ZDQKPXAUPLUTLL-DZGCQCFKSA-N 372.874 1.574 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 58192535 CMSLVAKEGDPCTB-JTQLQIEISA-N 362.398 1.718 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 10217380 IEPMGUNMBAVCEM-UHFFFAOYSA-N 369.377 1.595 0 40 FDAB CCN(CC)c1ccc(C(=O)NCc2ccc(OCC(=O)NC)cc2)cn1 58244588 NGKOYSBQUAVBRK-UHFFFAOYSA-N 370.453 1.983 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F 20722304 STZJWPZGVOBRPE-OAHLLOKOSA-N 368.315 1.657 0 40 FDAB Cc1cccc(CN2CCCC3(CCN(S(C)(=O)=O)CC3)C2=O)n1 108534533 SXTACNKDJWVURJ-UHFFFAOYSA-N 351.472 1.554 0 40 FDAB Cc1nc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)cs1 306134189 NFJNEQMSFRDLTM-CQSZACIVSA-N 367.500 1.287 0 40 FDAB COc1ccc([C@H](CNC(=O)c2cnn(C)c2C)N2CCOCC2)cc1 29931367 QUJPGJAEOZGJLX-SFHVURJKSA-N 358.442 1.540 0 40 FDAB COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13012215 JKLMCAVUZLUASU-SECBINFHSA-N 355.188 1.091 0 40 FDAB CC(=O)N1N/C(=C2\C(=O)N(C)C(=O)N=C2O)C[C@@H]1c1ccc(Cl)cc1 8768419 PMCSXGYYVKDWQF-NPRUJURCSA-N 362.773 1.941 0 40 FDAB O=C(C[C@@H]1Sc2nc3ccccc3c(=O)n2NC1=O)Nc1ccccc1 22607189 NSMKDWOSIVPVJJ-AWEZNQCLSA-N 366.402 1.970 0 40 FDAB COc1cc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1 13555138 WPOPLZDGZQSSFH-NSHDSACASA-N 369.377 1.907 0 40 FDAB Cc1cccc(OCC(=O)NN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1C 8751448 HLXAETSZQQTKLP-SFHVURJKSA-N 357.366 1.774 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)NC1(c2ccc(F)cc2)CCCC1 64850540 GYJRRYRMTSWEDU-UHFFFAOYSA-N 354.447 1.442 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C(N)=O)cc1 6290412 UMCYWTGPLHVXNG-UHFFFAOYSA-N 355.394 1.536 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c1C 9534188 JGRHNGNZAYQKPF-LBPRGKRZSA-N 363.443 1.975 0 40 FDAB CN(C(=O)CSc1nnc(-c2cccs2)o1)[C@@H]1CCS(=O)(=O)C1 6462822 LWFLRWMMGUBKCP-SECBINFHSA-N 373.481 1.536 0 40 FDAB O=C(/C=C/c1ccccc1)NCCC(=O)Nc1cccc(-n2cnnn2)c1 14167875 ZGVZQOJZGHAQRP-MDZDMXLPSA-N 362.393 1.821 0 40 FDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408622840 NQEMGJSEMWTISB-UHFFFAOYSA-N 370.471 1.263 0 40 FDAB CCOC(=O)c1[nH]c(COC(=O)C2=COCCO2)c(C(=O)OCC)c1C 6509426 PKCWYYRELYQBRG-UHFFFAOYSA-N 367.354 1.608 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 6652047 RIUGLKYFXLAJJE-UHFFFAOYSA-N 372.450 1.786 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 6719777 QYKXWLSBDDPLEB-UHFFFAOYSA-N 365.455 1.324 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCC[C@H](C)C1 6881940 NAUKOOTZHHLVHT-ZDUSSCGKSA-N 353.488 1.916 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)NC2CCCCC2)c(=O)c1=O 67256218 LYYAMPICMQJIAH-UHFFFAOYSA-N 357.410 1.457 0 40 FDAB COc1ccccc1-n1cnnc1S(=O)(=O)Cc1ccc(C(N)=O)cc1 67945968 OXBCBRDEKPFXJI-UHFFFAOYSA-N 372.406 1.349 0 40 FDAB CCc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 9479218 OQIFPPIDIPNNGO-UHFFFAOYSA-N 352.188 1.500 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 69756491 JYHNPVRWDXLRFX-INIZCTEOSA-N 360.435 1.995 0 40 FDAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc[nH]c1=O 96855738 SSFVXUWOQRZLLT-SDNWHVSQSA-N 369.402 1.841 0 40 FDAB CCc1cnc(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)s1 74843294 FYDTUQLMQWXLQJ-GFCCVEGCSA-N 374.532 1.709 0 40 FDAB O=C(CC[C@@H]1CCOC1)N1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 306135938 PEZSWQDQZYJGEW-VLIAUNLRSA-N 372.469 1.868 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NC1CCOCC1 62354555 JWHDJEVMUVTYCQ-UHFFFAOYSA-N 353.444 1.835 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCN(C(C)=O)CC2)sc2c1CCC2 48614202 CQRPEWIUFQXGLX-UHFFFAOYSA-N 365.455 1.126 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)NCCSc2nc(C)n[nH]2)c1 225968982 NTVMQSUAEQZNTI-UHFFFAOYSA-N 369.472 1.397 0 40 FDAB CN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c2cnccc21 329563053 RWIFDMVPAXVRBU-UHFFFAOYSA-N 372.450 1.192 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 226217760 WPHZBSIESYSJEF-BMFZPTHFSA-N 352.818 1.534 0 40 FDAB O=C([C@H]1CCCS1(=O)=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 573624511 XRSYEVOPIMWXPC-OAHLLOKOSA-N 374.466 1.755 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1C 224234333 IHZPLUKRZYMROT-UHFFFAOYSA-N 364.471 1.955 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2 224220640 AKXAYSMTZWREOF-UHFFFAOYSA-N 371.397 1.406 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 223363098 FLLHBOLHIPJNCD-UHFFFAOYSA-N 354.457 1.798 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 45133930 AMMUAPYWTFMNST-AWEZNQCLSA-N 367.877 1.776 0 40 FDAB Cc1nnc(N2CC[C@@]3(C[C@@H](NS(=O)(=O)C4CC4)CCO3)C2)s1 96219997 IKKIHCQKTPBJPJ-SMDDNHRTSA-N 358.489 1.056 0 40 FDAB CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96156246 QJXZUCDBBBBXKH-GFCCVEGCSA-N 356.430 1.483 0 40 FDAB COCCN1CC2(CCN(c3cc(OC)ncn3)CC2)C[C@H]1COC 96206083 LOTNRVUTUXADFF-HNNXBMFYSA-N 350.463 1.439 0 40 FDAB Cn1cc(CN2CCC3(CC2)COCCN(Cc2cccnc2)C3)cn1 96239919 LJQHFBKHKDTACJ-UHFFFAOYSA-N 355.486 1.930 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 230479335 RHIBFIXSUVNZIM-KUDNYVPYSA-N 354.362 1.219 0 40 FDAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)Cn1cc(S(N)(=O)=O)cn1 332197528 WKROLRFXZAFXCB-MNOVXSKESA-N 366.418 1.204 0 40 FDAB O=S1(=O)CC[C@@H](COc2ccccn2)C12CN(Cc1ccccn1)C2 247327189 NPCCTHZPWOMDJG-HNNXBMFYSA-N 359.451 1.545 0 40 FDAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 248121807 KKVBVKAFQWTRBZ-CQSZACIVSA-N 356.463 1.947 0 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358.394 1.982 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226342 PLWUCGNAXURJDI-UKRRQHHQSA-N 359.348 1.120 0 40 FDAB CC1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 4165954 QHICWBUNHKFIJI-UHFFFAOYSA-N 369.400 1.980 0 40 FDAB COc1cccc(-c2nnc3ccc(OCCNC(=O)C(C)C)nn23)c1 11693904 LHHZEVNEXRCBSK-UHFFFAOYSA-N 355.398 1.951 0 40 FDAB O=c1c2ccccc2ncn1CC1CCN(Cc2nnc3n2CCC3)CC1 1775972243 DXXLWPCTBKPNKQ-UHFFFAOYSA-N 364.453 1.846 0 40 FDAB CCN=c1nc(N2CCN(c3ncnc4ncccc34)CC2)cc(C)[nH]1 2086889814 MROVWFYTKJJNMT-UHFFFAOYSA-N 350.430 1.304 0 40 FDAB CC(C)[C@@H](N)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ncccc31)C2 248167107 OYWHLRVZZBUXQQ-RLFYNMQTSA-N 356.470 1.904 0 40 FDAB CCCN(CCC)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 40086228 ABHHSLRQOBWRCQ-SFHVURJKSA-N 369.531 1.844 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N3CCCCc4ccccc43)cnc21 40133950 SSDZFJXGFHQFKJ-UHFFFAOYSA-N 351.410 1.890 0 40 FDAB c1cc2c(cc1Cc1nn3c(CN4CCOCC4)nnc3s1)OCCO2 40282995 WFXXOOBNLXDNFH-UHFFFAOYSA-N 373.438 1.380 0 40 FDAB COc1cccc(N2CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)CC2)c1 30964368 INIRMFFQBUJQFS-HNNXBMFYSA-N 362.474 1.688 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)CC1 20461628 OWZIREDXVHEPDY-UHFFFAOYSA-N 374.441 1.539 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)n1CCOC 31816608 NUOGBQZYYWMZAW-AWEZNQCLSA-N 358.442 1.257 0 40 FDAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(Cc1cccnc1)CN2 20573588 QVMXXFGKQVWJJT-UHFFFAOYSA-N 353.357 1.445 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 20745097 NHAGWTNAEJXUGG-CQSZACIVSA-N 363.845 1.412 0 40 FDAB COCCNC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C 32893388 RGYBVBDYUDHQNB-UHFFFAOYSA-N 350.444 1.302 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)C)ccc1OC 21872446 IIBVRZXVMLJEJQ-LBPRGKRZSA-N 358.460 1.394 0 40 FDAB C[C@]12CC=CC[C@H]1C(=O)N(CCN1C(=O)[C@H]3CC=CC[C@@]3(C)C1=O)C2=O 658261 IOWPIAKWRDDMBS-YKLJGAPNSA-N 356.422 1.669 0 40 FDAB COc1cc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)cc(OC)c1OC 53524575 IHAWPLLUVWAMGX-UHFFFAOYSA-N 369.381 1.496 0 40 FDAB COC[C@H](C)n1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2725855 IUIPQRBJSFQQAX-VHSXEESVSA-N 364.427 1.279 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCCCC1 22760020 RGPYTCZZMDTWBS-INIZCTEOSA-N 351.472 1.280 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(C)o2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4477002 FRGMNIDCJNCNPN-BORJPKMPSA-N 352.383 1.754 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccncc2)cc1 4935629 YCBSSIRONJRLPS-CYBMUJFWSA-N 363.439 1.464 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1OC 7984999 SGZYOERGVUBZDE-INIZCTEOSA-N 370.405 1.326 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1OC 7985002 SGZYOERGVUBZDE-MRXNPFEDSA-N 370.405 1.326 0 40 FDAB O=C(CCN1CCCCCCC1)NN1C(=O)NC2(CCCCC2)C1=O 24879800 QBTFPNIULCFUFZ-UHFFFAOYSA-N 350.463 1.929 0 40 FDAB CC(C)c1cc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2ccnn2C)C3)n(C)n1 100210360 YUUSUHNFMJYLCH-ZIAGYGMSSA-N 357.458 1.932 0 40 FDAB CNC(=O)NC(=O)CN(Cc1ccc(C(=O)NC)cc1)Cc1ccco1 26925384 LXMFLRMMMVENEW-UHFFFAOYSA-N 358.398 1.097 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 12631497 DMBDGIYCQMRAHX-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB CCn1ncc(Cn2cc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)c1C 102015870 PPQOYZMMWPSTTC-VGWMRTNUSA-N 373.413 1.273 0 40 FDAB CN(C)c1ccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 58167770 QFXMQGNQWMZJRP-HNNXBMFYSA-N 358.394 1.651 0 40 FDAB CCN(CC)C(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58191160 MXPZWMKCSMAOQL-UHFFFAOYSA-N 367.471 1.269 0 40 FDAB COc1ccc(F)cc1[C@@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58230539 UBKHNYLINATAKD-PWSUYJOCSA-N 361.460 1.932 0 40 FDAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 28037530 UJGZEXVRWLARPI-UHFFFAOYSA-N 372.406 1.829 0 40 FDAB COc1ccccc1Cn1ccc2nc(N3CCOCC3)ncc2c1=O 36235784 IGURFOXKNWQMSS-UHFFFAOYSA-N 352.394 1.685 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(F)cc1 113946665 JXVHXGYUUXFQNQ-XJKCOSOUSA-N 369.462 1.743 0 40 FDAB COc1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cn1 45716250 JGIHQRGPPCPALK-CQSZACIVSA-N 373.335 1.785 0 40 FDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 29681438 ALQLTUSRFQHIBL-VXGBXAGGSA-N 369.462 1.627 0 40 FDAB COC[C@@H](C)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3408431 JGCBMIPVZXOUFU-OAHLLOKOSA-N 357.406 1.617 0 40 FDAB COc1ccc(C(=O)N2CCC[C@@H]2/C(O)=N/S(C)(=O)=O)c(OC)c1 48486834 AUZSUGXISVJCHT-GFCCVEGCSA-N 356.400 1.225 0 40 FDAB Cc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 38848794 CXVDNRXTHAXNDP-QGZVFWFLSA-N 360.435 1.838 0 40 FDAB CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC(C)C 13571651 PARUGMXDHLOYBY-ZDUSSCGKSA-N 364.471 1.801 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 6944998 YPFUXKCGOADFCF-UHFFFAOYSA-N 355.306 1.380 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4999538 QLLFEYRJHYAZPC-UHFFFAOYSA-N 374.374 1.256 0 40 FDAB COc1ncc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1C(N)=O 83915257 HMUVIGTWCTUIMC-UHFFFAOYSA-N 363.757 1.866 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 17056540 DYLGFBJMLZHSMM-NSHDSACASA-N 357.476 1.853 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NCC(=O)OCc1ccccc1 17638596 DRVZVFNXMVIGLW-UHFFFAOYSA-N 357.391 1.318 0 40 FDAB O=C(NCc1ccco1)c1ccccc1N[C@@]1(O)CCS(=O)(=O)C1 69980439 VTFVMXCWHJHNPZ-MRXNPFEDSA-N 350.396 1.129 0 40 FDAB CCn1c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc2ccccc2c1=O 8751992 CGCOXNBRCRNRTM-LBPRGKRZSA-N 374.466 1.232 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306140305 UPKAACIFCWKXIY-ZDUSSCGKSA-N 353.444 1.061 0 40 FDAB CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2cccc(C)c2)n(C)c1=O 8710224 RFFDSKPBMJXRKH-UHFFFAOYSA-N 366.425 1.621 0 40 FDAB COc1cc([C@H]2[C@H]3[C@H](C)N(C)C(=O)N(C)[C@H]3N(C)C(=O)N2C)ccc1O 4093934 DBLJYIVEHBFBMD-YVFQKMDQSA-N 362.430 1.767 0 40 FDAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N2N=CNC2=N1 38200291 NWTNPJUSWYZVDG-INIZCTEOSA-N 363.377 1.880 0 40 FDAB Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)c1 306123591 AQXKUTMOJHRLEU-JKSUJKDBSA-N 351.454 1.783 0 40 FDAB Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 72321877 RSQGIPAPHPDZLZ-KLHDSHLOSA-N 355.360 1.806 0 40 FDAB biogenic,in-vitro C[C@@H](NS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1)c1ccccc1 217609442 CJDMIIIHHMZFLU-GFCCVEGCSA-N 364.423 1.829 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccco2)C1 44816257 UDFXTGWEMGYAAW-UKRRQHHQSA-N 356.378 1.584 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 136308708 AGMFVBZHNYTSQB-MVJTYMMSSA-N 358.413 1.993 0 40 FDAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(C(=O)O)cc(=O)[nH]1 49470186 YJSSYNIEOOYVOP-UHFFFAOYSA-N 371.802 1.083 0 40 FDAB NC(=O)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40310029 DOTPNFXWUVROFA-IBGZPJMESA-N 364.361 1.566 0 40 FDAB biogenic CCC(=O)Nc1nnc(S(=O)(=O)NCCSC(C)(C)C)s1 224369394 NRASPANLAKWMPK-UHFFFAOYSA-N 352.507 1.697 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn23)c(-n2cnnn2)c1C 95474489 UOAXCBPSMZMMJN-ZDUSSCGKSA-N 362.397 1.813 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)O1 585083035 RVGOOKBMSHPAME-LSDHHAIUSA-N 369.425 1.923 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1 247509324 HYQMSQBFCWASNP-CQSZACIVSA-N 363.483 1.698 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)cn1 257278474 OCKMCKJWHZJSSU-KRWDZBQOSA-N 369.469 1.723 0 40 FDAB CN1CCC(N2CCC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)CC1 257343982 ZVFLZDPNBFWLEN-HNNXBMFYSA-N 370.501 1.705 0 40 FDAB CN(C)S(=O)(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257242120 IBEMUPLLEUCZAB-HNNXBMFYSA-N 369.418 1.584 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)N3CCC(CO)CC3)nc(C)n2)CC1 257239558 HPVYVOANYDXCPG-UHFFFAOYSA-N 374.485 1.530 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1ccc(F)cc1 257294877 QWBSXCNWGGHWQP-IBGZPJMESA-N 358.417 1.648 0 40 FDAB CC(=O)N[C@]1(c2nc(C)no2)CCN(c2ccnc3cc(F)cnc23)C1 643692943 WGCGPMIPMLITNN-QGZVFWFLSA-N 356.361 1.702 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)CCc2c[nH]c3c(C)cccc23)C1 644038089 BGMKNXIIRPFNMI-HXUWFJFHSA-N 357.454 1.899 0 40 FDAB CCN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 667093827 DSFPGIGLBZGFOJ-SWLSCSKDSA-N 367.471 1.866 0 40 FDAB Cn1nc2c(c1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)CCCC2 675740493 LLSBQWMOYDSUDR-CYBMUJFWSA-N 359.455 1.999 0 40 FDAB O=C1NCCO[C@@H]2CCCN(C(=O)c3cc(O)nc4ccc(F)cc34)[C@H]12 1261913225 NIKUOKIZQJHKCU-ZBFHGGJFSA-N 359.357 1.199 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2n[nH]c4c2CCC4)C3)n1 575405714 UQTDQQXYTCMSBW-ZDUSSCGKSA-N 369.425 1.449 0 40 FDAB COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N3CCF)CC2)n1 585100186 HIHOVZFZSYZTTC-QGZVFWFLSA-N 352.410 1.815 0 40 FDAB COc1ccccc1CN1Cc2ncn(C)c2C[C@@H]1CN1CCOCC1 585094974 XTECTYLNERRUKE-QGZVFWFLSA-N 356.470 1.688 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1S(C)(=O)=O 585103966 XGQVEIPWLXKMBK-CYBMUJFWSA-N 362.467 1.168 0 40 FDAB Cc1nccn1C[C@H](C)CNC(=O)CCN1C(=O)COc2ccccc21 54620708 LWYYWGCDJHMCGQ-CQSZACIVSA-N 356.426 1.760 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101329345 LHGXJXHMCYFVTM-RYQLBKOJSA-N 367.449 1.675 0 40 FDAB O=C(NCc1cccnc1OCC(F)F)[C@@H]1CCCN1c1ncccn1 677940355 DXQKKSNYWBUOCD-ZDUSSCGKSA-N 363.368 1.801 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615121005 LOTJVQPRZIQJSR-IBGZPJMESA-N 354.410 1.458 0 40 FDAB CCn1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615159681 PGGRKBNWICZRFH-FQEVSTJZSA-N 368.437 1.941 0 40 FDAB CC[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594951 KCIJRPMRLHPGNU-VAMGGRTRSA-N 360.498 1.797 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O)C(=O)O 5431450 BOYWLMZPQOQQHS-MRXNPFEDSA-N 352.346 1.816 0 40 FDAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1n[nH]cc1Cl 12143832 IJEMBIGGDLHINU-UHFFFAOYSA-N 366.824 1.916 0 40 FDAB Cc1c(C(=O)N2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cnn1C 12181557 IFIPIDCPMFLZOT-UHFFFAOYSA-N 370.457 1.247 0 40 FDAB Cc1nc2cc(N[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2o1 12606446 KGIKJUPEWFGBLF-ZWNOBZJWSA-N 351.428 1.582 0 40 FDAB CN(C)c1nc(N)nc(COc2ccc(C(=O)O)cc2Br)n1 12823978 AOGSAHWOWYGLDA-UHFFFAOYSA-N 368.191 1.560 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)COC)cc1 13633419 FIFUAIUGRHSALJ-CYBMUJFWSA-N 358.460 1.247 0 40 FDAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 13996850 OFQRUJIMKVDVFI-UHFFFAOYSA-N 362.458 1.119 0 40 FDAB COc1ccc2c(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cc(=O)oc2c1 14135424 KDSBIQZOPCERTH-QGZVFWFLSA-N 372.421 1.625 0 40 FDAB COC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 15363893 PEIQYNGMXMMHBX-UHFFFAOYSA-N 368.455 1.027 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3ncccc23)C1 19016443 JIBWHXUMILGSSJ-AWEZNQCLSA-N 357.458 1.929 0 40 FDAB Cc1ccc(CC(=O)N2CCC[C@@H]2Cn2nnc3c(=O)nc(C)[nH]c32)cc1 19209778 VBKKBELQWMKXTQ-OAHLLOKOSA-N 366.425 1.365 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 19239892 VALVSZQVODDBEA-OAHLLOKOSA-N 364.409 1.353 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2cc3cc(Cl)ccc3n2C)CC1 19289761 RPSHSHCYDRZDRS-UHFFFAOYSA-N 362.861 1.678 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)CC1 19371800 WNACHAYTDIIBOB-UHFFFAOYSA-N 374.441 1.539 0 40 FDAB O=C(c1cnccn1)N1CC[C@@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 19406665 BLGFIKBCDGWWSZ-LLVKDONJSA-N 353.407 1.918 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 643431500 MNUCSPZBWRSTPA-WZRBSPASSA-N 357.815 1.154 0 40 FDAB Cc1c(Cl)cccc1NC(=O)C[C@@H](NCCN1CCOCC1)C(=O)O 22460751 CKRKOPFJXCNUHS-OAHLLOKOSA-N 369.849 1.352 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 7121265 HFOUQJUTCRAFPS-IBGZPJMESA-N 356.426 1.946 0 40 FDAB O=C(CN1CCCC1=O)Nc1cc2c(cc1Br)OCCO2 23039947 LQHJVRDHVSLSGQ-UHFFFAOYSA-N 355.188 1.781 0 40 FDAB Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)sc1-c1ccccn1 23502708 FBOGFAJUUYYSKW-UHFFFAOYSA-N 371.422 1.770 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1F 238849702 JEEPIWJIHJWAQJ-SECBINFHSA-N 374.415 1.293 0 40 FDAB Cc1noc(CC(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)n1 1565554300 WXBOWKYUNBXRAK-UHFFFAOYSA-N 350.382 1.400 0 40 FDAB COc1cccc(C(=O)NCc2nnnn2-c2ccc(C)cc2)c1OC 9570573 FDTZPXROOLGUNY-UHFFFAOYSA-N 353.382 1.918 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1cnccn1 2055739287 PLCIBQRSGINZLT-NSHDSACASA-N 367.365 1.275 0 40 FDAB CN1CCN(C(=O)C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)CC1 23006310 MWWLTSKTLCRNNK-UHFFFAOYSA-N 351.476 1.097 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccco3)CC2)cc1 27197055 YUTMPQZIYGQWRK-INIZCTEOSA-N 350.440 1.628 0 40 FDAB c1cc2c(N3CCN(c4ccnc(N5CCCC5)n4)CC3)ncnc2cn1 2086889596 YQTLSGSBZPJXCC-UHFFFAOYSA-N 362.441 1.742 0 40 FDAB Cc1cc(C)n([C@H](CNC(=O)CN2C(=O)CCC2=O)c2cccs2)n1 575610026 IVXKKVIYIQRMNQ-CYBMUJFWSA-N 360.439 1.416 0 40 FDAB CSc1cccc(C(=O)NCCn2c(O)nc3ncccc3c2=O)c1 575610054 UNXCSIMBJTUGJU-UHFFFAOYSA-N 356.407 1.649 0 40 FDAB COc1nc(N2CCC(C(=O)NC3CC3)CC2)ncc1Br 364059030 YIZUEPACDCYFFQ-UHFFFAOYSA-N 355.236 1.743 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)n1 19237998 SIJFFSUANDAWGZ-ZFWWWQNUSA-N 354.458 1.279 0 40 FDAB C[C@@H](CN(C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 19455917 OMKCYIINUUUFDC-GJZGRUSLSA-N 364.490 1.157 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1 19496501 AINHRNUAIXIJHS-HNNXBMFYSA-N 357.502 1.560 0 40 FDAB Cc1c([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cnn1-c1ccc(F)cc1 40080592 RXZOVSKUWMYUDT-LLVKDONJSA-N 371.372 1.047 0 40 FDAB NS(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc32)c1 40086406 DZZQRICAUKBVRU-UHFFFAOYSA-N 359.451 1.517 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cc1 40117698 OPSPVYSFSSTVTA-UHFFFAOYSA-N 370.333 1.823 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1)c1ccccc1 31244997 FKYABYFSNBGZIO-UHFFFAOYSA-N 353.422 1.637 0 40 FDAB CN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cn1 22024885 ACAVLSLXLUPVQG-UHFFFAOYSA-N 365.430 1.878 0 40 FDAB COc1ccc(NC(=O)CSc2nnc3nc(O)ccn23)c(OC)c1 4249794 YTXLBPWKHUYXNP-UHFFFAOYSA-N 361.383 1.578 0 40 FDAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H]1CCOC1 42725692 SYKUCFPPJLOKMD-HOCLYGCPSA-N 351.422 1.946 0 40 FDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCc3sccc3C2)cc1 10923502 RCADXZNRXXYPQZ-UHFFFAOYSA-N 350.465 1.913 0 40 FDAB CCc1[nH]c(C(=O)N2CCN(CC(F)(F)F)CC2)c(C)c1C(=O)OC 55208760 RVZJIZAUUHIQCN-UHFFFAOYSA-N 361.364 1.992 0 40 FDAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cc2nnnn2C2CC2)C1 57265799 QRVNLMADDWOOLR-GFCCVEGCSA-N 353.473 1.259 0 40 FDAB CCCNC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57507099 QSWXTGIKSDIVPW-UHFFFAOYSA-N 353.473 1.541 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118925169 JXCOSKURGJMQSG-SQEWHTKHSA-N 366.498 1.653 0 40 FDAB C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)C(=O)N1CCOCC1 58226989 OEOZTXWOHWLAJK-GFCCVEGCSA-N 360.439 1.111 0 40 FDAB CN1CCN(CCCNC(=O)C(=O)Nc2cccc3c(O)cccc23)CC1 44901096 QLWKIVNOQMWTAT-UHFFFAOYSA-N 370.453 1.238 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1 44901469 BTRLTFNFWRONRV-UHFFFAOYSA-N 361.354 1.567 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 12816879 QOICXLSYZFVABA-BBWFWOEESA-N 359.470 1.469 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ncnc2[nH]cnc12 11158780 YAARHTADFSHVBS-SECBINFHSA-N 369.337 1.308 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 5059993 KHIMQLXXMNFGBY-UHFFFAOYSA-N 363.395 1.127 0 40 FDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Cl)cc2c1OCC2 97086290 QNTLHUXIZBNSQE-NSHDSACASA-N 354.819 1.680 0 40 FDAB CCN(Cc1cccc(F)c1)C(=O)Cn1nnn(-c2ccccc2)c1=O 14141119 AEWIPAHBDMCIRY-UHFFFAOYSA-N 355.373 1.617 0 40 FDAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NC(=O)NCC(C)C)c1 14237443 RXQDOFANXXNHAN-ZDUSSCGKSA-N 364.446 1.436 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c1 6509648 SVSPOHVLRNGHJT-UHFFFAOYSA-N 369.333 1.412 0 40 FDAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1O2 8130798 XDBUCDKQHSGXPV-INIZCTEOSA-N 368.437 1.498 0 40 FDAB COC(=O)c1cccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)c1 9690520 STGMMQGZZOWSIO-AWEZNQCLSA-N 372.352 1.762 0 40 FDAB O=C(Nc1cccc(F)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998784 JLLPZRJACDAAFJ-OAHLLOKOSA-N 371.434 1.484 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)[C@H](Oc1ccccn1)CCS2(=O)=O 306140465 UUKVLGGLCYQSQP-BRWVUGGUSA-N 372.446 1.788 0 40 FDAB C[C@H](CNC(=O)c1nc2ncccn2n1)Cn1ccc(C(F)(F)F)n1 36618743 SHMRYEJJTLIFIH-SECBINFHSA-N 353.308 1.406 0 40 FDAB C[C@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC[S@]1=O 532967759 HLDHMCNWDQVVTF-JUZXBQNTSA-N 350.423 1.289 0 40 FDAB CCc1nn(CC(=O)N2CCC[C@@H](CO)C2)c(=O)c2cc3ccsc3n12 72335252 RXOLTIMSQWXMBO-GFCCVEGCSA-N 374.466 1.504 0 40 FDAB CCn1cccc(NC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1=O 567160455 JQAOIPNNWDWWKC-MLGOLLRUSA-N 372.429 1.085 0 40 FDAB O=C(NCCn1cnc2ccsc2c1=O)c1n[nH]c(=O)c2ccccc12 225776112 APLWRNSOUGCPPZ-UHFFFAOYSA-N 367.390 1.125 0 40 FDAB Cc1nc(CN2CCC(CNC(=O)[C@@H]3CCCS3(=O)=O)CC2)oc1C 572014278 SACDWSZRNZQFRJ-HNNXBMFYSA-N 369.487 1.197 0 40 FDAB CCn1cccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1=O 529483248 CFHDKABXBRBKBK-UHFFFAOYSA-N 355.394 1.593 0 40 FDAB COCC(=O)N1CCC2(CC1)NCCn1c(-c3ccc(F)cc3)cnc12 96263390 VMEPHPGTPSOXKZ-UHFFFAOYSA-N 358.417 1.757 0 40 FDAB O=C(N[C@@H](c1nnn(C[C@@]2(O)CCCOC2)n1)C1CC1)c1ccccc1 585091651 GOXCQUOBRVIAID-QAPCUYQASA-N 357.414 1.096 0 40 FDAB c1csc(CN2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)n1 96254134 OHLKYLIJKMKZDL-UHFFFAOYSA-N 372.498 1.902 0 40 FDAB O=C(c1ccsc1)N1CCO[C@@]2(COCCN(c3cccnc3)C2)C1 96076855 VMOFNQXEYYNGCC-GOSISDBHSA-N 359.451 1.891 0 40 FDAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 96066144 WSMZKOWVBBLAMU-QXAKKESOSA-N 358.486 1.273 0 40 FDAB CC(C)Oc1cncc(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)c1 528542808 ROFJUQPZEKDUNA-INIZCTEOSA-N 361.423 1.711 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(C1CCOCC1)C2)NCCc1ccccc1 96206475 YLRGVCZTGLVXEY-NQIIRXRSSA-N 358.482 1.863 0 40 FDAB COc1ncccc1C(=O)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247885985 RPAWXDVLVZSRCJ-CQSZACIVSA-N 369.425 1.614 0 40 FDAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H](Cc1ccccc1)n1cnnn1 25649205 VZEVRHJZRNMAJH-MRXNPFEDSA-N 365.393 1.545 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3ccccc3F)C2)ncn1 257288016 PSLQRGZBSQVEKX-IBGZPJMESA-N 358.417 1.566 0 40 FDAB O=C(NC(=S)NCCN1CCOCC1)c1cccc(C(F)(F)F)c1 25702813 LPQPHXJPOBYJAJ-UHFFFAOYSA-N 361.389 1.642 0 40 FDAB CN(C)[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)c1ccsc1 25813401 ADWOHNHCBVCNML-GFCCVEGCSA-N 350.469 1.443 0 40 FDAB Cc1c(C(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)oc2ccccc12 257341059 ZIRIWBJVSHSSLU-NUJGCVRESA-N 374.437 1.010 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2cc[nH]c2n1 631171530 RFEKQXIXYYWOFC-HNNXBMFYSA-N 356.474 1.824 0 40 FDAB COCc1nc(-c2cccc(NC(=O)c3cc(=O)c(OC)c[nH]3)c2)n[nH]1 604419699 VGHACEIUKUSVMD-UHFFFAOYSA-N 355.354 1.567 0 40 FDAB NC(=O)Cn1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)n1 617449822 AUJYFEZCWSFGBD-UHFFFAOYSA-N 361.365 1.330 0 40 FDAB CCN1CCN(C(=O)c2cc3c(C)nn(C)c3nc2C)C[C@]12CCOC2 1615588583 DCULKUOHVWYBNV-IBGZPJMESA-N 357.458 1.522 0 40 FDAB CS(=O)(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 95545366 KHQBRKAWIQURCA-INIZCTEOSA-N 367.446 1.831 0 40 FDAB COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)C2 654562624 KKQVNCJHBAJINS-HNNXBMFYSA-N 367.471 1.535 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccccc3)C2)cn1 585112070 IBWCMXRVKPOWDY-SFHVURJKSA-N 364.453 1.994 0 40 FDAB Cc1ccccc1N1CCC(O)(CN(C)[C@@]2(C)CCS(=O)(=O)C2)CC1 585282550 GQXGVZHAFIXUCT-SFHVURJKSA-N 366.527 1.835 0 40 FDAB CCn1cc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)cn1 72347101 IZROLUGCYPDRHJ-UHFFFAOYSA-N 354.414 1.110 0 40 FDAB CC(C)COC[C@@H](O)CN1CCN(c2ccc(Br)cn2)CC1 509047925 DDYOPQQTWSUQMB-HNNXBMFYSA-N 372.307 2.000 0 40 FDAB Cc1ncc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)n1C 12121342 YDTMJGRSNMSKAX-UHFFFAOYSA-N 355.489 1.363 0 40 FDAB CCCc1nn(CC(=O)N2CCOCC2)c(=O)c2cc3ccsc3n12 12181606 PESLKDITWRSBHU-UHFFFAOYSA-N 360.439 1.522 0 40 FDAB NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1 12374358 NNPBYCGZJGDJIA-UHFFFAOYSA-N 368.440 1.099 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@H]3CCCO3)c3ncccc23)C1 19016493 KBUMDCCTRKVUCH-GOEBONIOSA-N 371.441 1.062 0 40 FDAB COCC(=O)N1C[C@@H](c2cccc(NC(C)=O)c2)[C@@]2(CCCCC(=O)N2)C1 19022857 DNSBGGOXSTWZGA-FXAWDEMLSA-N 373.453 1.646 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)c(C)c1C 19556518 VMSLZOSGMNFNRA-INIZCTEOSA-N 368.485 1.650 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cn(C)nc2C)C1 19583488 DOSUKQZLIYLINP-HXUWFJFHSA-N 368.437 1.698 0 40 FDAB CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 19699848 DOKUDPZPUADYKJ-CQSZACIVSA-N 350.463 1.182 0 40 FDAB CN1CCc2nnc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)n2CC1 19709343 DJYFAHHUAFFKML-INIZCTEOSA-N 373.432 1.648 0 40 FDAB CNc1cc(CN(C)C(=O)Cc2csc(C)n2)nc([C@@H]2CCCNC2)n1 19709707 WBACNZCLMBIKEQ-CYBMUJFWSA-N 374.514 1.951 0 40 FDAB O=C(CN1CCCCC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292011 NXKCTQIPVQWXGZ-MRXNPFEDSA-N 358.486 1.772 0 40 FDAB COc1cccc(N2CCN(C3CCN([C@H]4CCOC4=O)CC3)CC2)c1 252495002 OKJQYDQFXDKELL-IBGZPJMESA-N 359.470 1.597 0 40 FDAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575604816 BTHXYKSBNPAHCC-SECBINFHSA-N 359.757 1.865 0 40 FDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NCCC(C)C 5210633 LQMPBFZCLPLKFE-WJDWOHSUSA-N 357.414 1.685 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c2cnn(C)c2n1 1888890497 KOLPWCYCQZYQHY-HUUCEWRRSA-N 362.393 1.298 0 40 FDAB CC(C)c1nnc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)s1 1888897540 PVIZOYHQXUETJY-VXGBXAGGSA-N 370.486 1.911 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2Cl)CC1 21970547 GTQKUDQCVZQXCA-UHFFFAOYSA-N 367.833 1.807 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565544644 PGHDBFGPEASVIH-NYLIBXOJSA-N 358.438 1.497 0 40 FDAB COc1ccc(-c2ncnc(N3CCN(Cc4nnco4)CC3)c2F)cc1 1775970530 FCJNBWDVZMJCOO-UHFFFAOYSA-N 370.388 1.997 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCN(c2ccccn2)C1 206829524 QOJITDMRWDUYIC-NSHDSACASA-N 367.452 1.487 0 40 FDAB Cc1cc2n(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccn2n1 575610776 YPVWZYGPLICSFW-CQSZACIVSA-N 369.400 1.753 0 40 FDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(n2cc(C3CC3)nn2)C1 585149154 IDDNRERWXOTBGK-UHFFFAOYSA-N 370.438 1.587 0 40 FDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)C3CCNCC3)C1)O2 12122887 JOECVPOWFKANCO-HXUWFJFHSA-N 373.453 1.178 0 40 FDAB O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1ccc(Cn2cnnn2)cc1 230206781 FIOPSNGSGPHISC-MSOLQXFVSA-N 354.458 1.716 0 40 FDAB biogenic O=C(CNS(=O)(=O)N1CCCCCC1)Nc1ccc(F)c(F)c1F 40039889 WOINXYTTWFYWOT-UHFFFAOYSA-N 365.377 1.753 0 40 FDAB CN(CC(=O)NCCc1ccccc1)C1=NS(=O)(=O)c2ccccc21 20892904 IDDSMUMSOJUUKB-UHFFFAOYSA-N 357.435 1.426 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1nc2cc3c(cc2s1)OCCO3 32768590 GCZVOLLWINKLAZ-UHFFFAOYSA-N 361.379 1.545 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccc(O)cc2C1 41661187 UXGJXOAYLJTWAQ-UHFFFAOYSA-N 351.410 1.964 0 40 FDAB CS(=O)(=O)NCCNC(=O)NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103253683 HIRIYXWDVUBPEK-HGWMRPEMSA-N 363.911 1.413 0 40 FDAB Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)s1 79486619 CXSQIHKDGNCJGW-LLVKDONJSA-N 363.405 1.881 0 40 FDAB O=C(Cn1ccccc1=O)N1CCN(Cc2c(F)cccc2Cl)CC1 23641594 VESFUVXLSWTIIQ-UHFFFAOYSA-N 363.820 1.985 0 40 FDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(CCOc2ccccc2)CC1 23763026 ZKDDVVGTFIFGNM-UHFFFAOYSA-N 351.410 1.795 0 40 FDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)COCc2ccco2)c1=O 25243643 JGCRZNBQWZVDFW-VIFPVBQESA-N 360.288 1.137 0 40 FDAB Cc1oc(C(=O)NC[C@@H]2CCCOC2)cc1S(=O)(=O)N1CCCC1 55925163 RAHRYBQISRQVJE-ZDUSSCGKSA-N 356.444 1.529 0 40 FDAB Cc1ccc(C(=O)NCCCNC2=NS(=O)(=O)c3ccccc32)cc1 59483905 VKFARTNLBMXLGY-UHFFFAOYSA-N 357.435 1.854 0 40 FDAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)Nc2cn[nH]c2)CC1 57029955 XLYLCUPJJNQQPI-UHFFFAOYSA-N 363.805 1.818 0 40 FDAB CC(C)CN(CC(N)=O)C(=O)c1ccc(I)cc1 44316247 ZBCZWIKCVQXRQW-UHFFFAOYSA-N 360.195 1.875 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 9954384 BNZYUHARIAGTIH-UHFFFAOYSA-N 359.382 1.609 0 40 FDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21 58279933 IGUHIUGNJFAYAJ-QGZVFWFLSA-N 359.451 1.892 0 40 FDAB COc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)cc(OC)c1OC 12523544 VQNKAMMZCPELEY-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB C[C@@H](CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 58181643 NNYZYWIYVQWLAJ-ZDUSSCGKSA-N 368.480 1.806 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)C[C@@H](C)O1 3203074 YOEAZRJJDPUDPP-ZIAGYGMSSA-N 352.456 1.721 0 40 FDAB CCNC(=O)NC(=O)CN1CCCN(C(=O)c2ccccc2Cl)CC1 58180502 GVDGCXOKXBDNQW-UHFFFAOYSA-N 366.849 1.334 0 40 FDAB COC(=O)c1cccc(NC(=O)COc2ccc(-n3cnnn3)cc2)c1 60385829 QXKVFJUKLKGVTC-UHFFFAOYSA-N 353.338 1.466 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1CCN(c2ncccn2)CC1 60462793 RXPHQPWKKHAFFU-UHFFFAOYSA-N 355.442 1.266 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)N[C@@H]1C 23074381 SAYXIFSQKBKQLT-LLVKDONJSA-N 361.398 1.428 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 12979466 UUKCAZFBQKRJQP-UHFFFAOYSA-N 350.378 1.737 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccccc2OC(F)F)C[C@@H](C)O1 12900553 LUQTUSXNXIYCSS-GHMZBOCLSA-N 350.387 1.732 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2nc3n(c2=O)CCCCC3)cc1 12928494 FBLMWFSPDINLQL-UHFFFAOYSA-N 371.441 1.177 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCOc3ccccc3OC)c(=O)[nH]c2c1 12984196 UUBADHJXNZRJLS-UHFFFAOYSA-N 370.361 1.564 0 40 FDAB O=C(Cc1ccc(F)cc1F)NS(=O)(=O)N1CCc2sccc2C1 95410467 NVBZVSKXUXOURN-UHFFFAOYSA-N 372.418 1.988 0 40 FDAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccco1 13571473 VLDPKWXFBQQWER-UHFFFAOYSA-N 356.382 1.844 0 40 FDAB Cc1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C 4392598 WVNOOVBYOULPIH-CYBMUJFWSA-N 363.439 1.248 0 40 FDAB CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 14157565 OWAHBJIEEMVMFI-UHFFFAOYSA-N 367.254 1.473 0 40 FDAB CN(C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccco1 14182629 SUDPGEQRTQVOHP-QLFBSQMISA-N 359.426 1.340 0 40 FDAB CC(C)N1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)N1CCOCC1 6760205 GVMHPSXJECABJG-HNNXBMFYSA-N 361.467 1.646 0 40 FDAB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(F)c(F)c1F 6994007 ACABYMDSFZICNE-ZDUSSCGKSA-N 366.295 1.999 0 40 FDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc2c(c1)OC(F)(F)O2 5961690 JJBUEYFZTQECNE-UHFFFAOYSA-N 352.249 1.437 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccccc1 7600147 RMVPEKHCUUYLIL-GFCCVEGCSA-N 361.398 1.667 0 40 FDAB COCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021903 CRMMGIAVJUNCAL-ULMVMLMRSA-N 371.437 1.100 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nccs1 16641285 KLYBEVXBSZHZIA-LBPRGKRZSA-N 364.452 1.845 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccccc2)CC1 17358052 GTUYJIBDHAURDY-UHFFFAOYSA-N 373.478 1.600 0 40 FDAB O=C(NCCc1ccccc1F)c1ccc(CN2C(=O)CNC2=O)cc1 18123423 SIOJQUBJRFRERE-UHFFFAOYSA-N 355.369 1.850 0 40 FDAB CN(C)C(=O)c1cccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 74568757 KLQIBTHWZSMYST-RBUKOAKNSA-N 367.449 1.888 0 40 FDAB Cc1cc(COC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)no1 25315887 NPDQPOUEDCJQLF-UHFFFAOYSA-N 355.350 1.976 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 72391653 DLLNMZUAUZIAPV-CQSZACIVSA-N 372.473 1.715 0 40 FDAB COCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408558564 JSQHNRMHWBDBES-JTQLQIEISA-N 364.851 1.168 0 40 FDAB Cc1cc(C)n(CCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524729308 NKOYLYNTEWIUGV-RIFZZMRRSA-N 368.437 1.726 0 40 FDAB biogenic C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCCCC2)C3)C[C@@H](C)O1 72389520 AUGPDMMKFUNFBT-ZIAGYGMSSA-N 374.485 1.849 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1cccc(Cl)c1)C2)N1CCCC1 71282674 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IMQFRAJRHFYDQF-HNNXBMFYSA-N 372.469 1.766 0 40 FDAB O=C(Cc1ccn(-c2ccccc2)n1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 665490506 JECRGWVLTXXGNY-CYBMUJFWSA-N 352.398 1.645 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3ncnn3-c3ccccc3)C[C@H]2O)cn1 625616698 RRSZWMRVDGEKBR-IAGOWNOFSA-N 354.414 1.108 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3cnn(Cc4ccccc4)c3)C[C@H]2O)cn1 625627555 PAQYYZZKGUOJKW-RTBURBONSA-N 353.426 1.289 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2cnccn2)CC1 90677834 FOIQOODKPCHPDI-UHFFFAOYSA-N 351.370 1.136 0 40 FDAB COc1c(C(=O)NC[C@@H]2CCCN2CC(F)F)cnc2c1cnn2C 628617100 MCDHQHQEYUZKIU-JTQLQIEISA-N 353.373 1.436 0 40 FDAB N[C@H](c1cn(C[C@H](O)COCc2ccccc2Cl)nn1)[C@@H]1CCCO1 641196534 FUXLAMHVHJHKOZ-RRQGHBQHSA-N 366.849 1.688 0 40 FDAB COCc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643771389 QPDYXTINRQKLIJ-XHSDSOJGSA-N 354.472 1.099 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)c(=O)n1C 585281572 ZVDBZSUKULGJBV-CRAIPNDOSA-N 358.413 1.899 0 40 FDAB COc1cccc(C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)c1 67461204 UXVJRMMKFRRKMH-QGZVFWFLSA-N 358.442 1.101 0 40 FDAB COc1cccc(N2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)c1 35336371 QQRRLGYNGKMQRY-UHFFFAOYSA-N 374.363 1.205 0 40 FDAB Cc1ncc(C(=O)N(C)Cc2nc([C@H]3C[C@H](F)CN3)n[nH]2)c(C2CC2)n1 1775958104 DCDXEXOJKIBWCL-WCQYABFASA-N 359.409 1.425 0 40 FDAB O=C(NCCS(=O)(=O)N1CCOCC1)Nc1cccc2ccccc12 52135959 CKZAGFBLDRTXMP-UHFFFAOYSA-N 363.439 1.623 0 40 FDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)CC1 1615143942 RYMYQKSVHAQNST-IBGZPJMESA-N 350.434 1.442 0 40 FDAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)[C@H](C(=O)OCC)C[C@@H]1C(=O)OCC 5048467 KRVFDQLWSXYEOD-KJGYPYNMSA-N 372.414 1.497 0 40 FDAB Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 5055893 BEYFDFMSWDJDCD-UHFFFAOYSA-N 364.210 1.192 0 40 FDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2n1 12085010 WILLTUGVMWGTDX-GFCCVEGCSA-N 370.388 1.927 0 40 FDAB Cn1c(N2CCC(C(=O)NCCN3CCOCC3)CC2)nc2ccccc21 12116321 KHGXRFQRMALSKE-UHFFFAOYSA-N 371.485 1.238 0 40 FDAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)N3CCOCC3)C2)on1 12118366 DLEPTHHAHZQDTG-HNNXBMFYSA-N 371.441 1.478 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 16640573 RYSJICKQRUJNPX-UHFFFAOYSA-N 350.415 1.983 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NCc1ccc(F)cc1 19346568 IMEQYTNROQLVPE-MRXNPFEDSA-N 354.385 1.853 0 40 FDAB CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19501106 VIMDVPRDSAKRKZ-CYBMUJFWSA-N 358.442 1.181 0 40 FDAB CCOc1ccc(C(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)cc1 527580338 GJKXHQVZJLKAKS-SJORKVTESA-N 356.426 1.468 0 40 FDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N2CCCC2)cc1C 4438384 WFSBSCRXVMTSSM-AWEZNQCLSA-N 368.455 1.136 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]3C2)cc1=O 1888865722 PESCYKBPXFDGKZ-BETUJISGSA-N 355.398 1.086 0 40 FDAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)c(C)o1 238886891 QDMONMWSXBMDBX-UHFFFAOYSA-N 352.416 1.156 0 40 FDAB CC(C)Oc1cccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)c1 2037971282 UKKOFPUMRQVXNY-LNRXMEIDSA-N 371.477 1.983 0 40 FDAB CC(C)N1CCCC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1=O 2037985602 PJELASSSBWTVNQ-IBGZPJMESA-N 352.475 1.822 0 40 FDAB COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12 2712361 PBGOKWQWXSCRRB-UHFFFAOYSA-N 358.394 1.566 0 40 FDAB CCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)cn23)n(C)c1=O 4250623 LHOIHQVVXJXTFF-UHFFFAOYSA-N 367.409 1.866 0 40 FDAB O=C(COc1ccccc1)NCCCn1nc(-c2cccnc2)ccc1=O 11745529 JNOINBDPIIQINN-UHFFFAOYSA-N 364.405 1.891 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)cc1 225716586 KLOQXKHWTLCKHL-UHFFFAOYSA-N 361.419 1.281 0 40 FDAB CN(C)c1nc(CNC(=O)c2cc(-c3ccccc3)on2)nc(N(C)C)n1 575606398 IBIZTAHUEGWORF-UHFFFAOYSA-N 367.413 1.589 0 40 FDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(COC1=O)N2 4495981 YEBVVVRTYZWGNW-ZDUSSCGKSA-N 353.378 1.705 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(OC)cc2)CC1 40088361 MQJPAGZCSZUBSD-UHFFFAOYSA-N 369.487 1.699 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 40149006 XYYZDTIXBBNKJP-QWHCGFSZSA-N 371.430 1.790 0 40 FDAB CCNC(=O)CN1CCN(Cc2cc(=O)oc3ccc(OCC)cc23)CC1 20608905 NFXLXKKHFVZWCG-UHFFFAOYSA-N 373.453 1.445 0 40 FDAB C[C@H]1CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 32895349 VXNWNEDSINHOTE-HOTGVXAUSA-N 367.515 1.595 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2coc(-c3cccs3)n2)C[C@@H](C)O1 32895815 YOABRIJTTDROID-PHIMTYICSA-N 357.457 1.847 0 40 FDAB CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1ccc(F)cc1 53087902 FKZQNPDISNKTIP-LLVKDONJSA-N 362.405 1.071 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCCN2CCc3ccccc3C2)cc1 12141538 CCYYVKBAKPPUIC-UHFFFAOYSA-N 374.462 1.810 0 40 FDAB Cc1ccccc1CN1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 42058539 VTCOXPXTALUVJK-INIZCTEOSA-N 358.442 1.018 0 40 FDAB CCOC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 79099596 PTXVXPIXXLZWQZ-AWEZNQCLSA-N 363.458 1.991 0 40 FDAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1cccc(-n2cnnn2)c1 79488331 JTBYBMRZJABDIM-UHFFFAOYSA-N 354.370 1.257 0 40 FDAB O=C(c1cc2ncc(Br)cn2n1)N1CCN2CCC[C@@H]2C1 2788851 QKFSXQUYWNRQDS-LLVKDONJSA-N 350.220 1.412 0 40 FDAB O=C(O)c1ccccc1S(=O)(=O)NC[C@@H](O)COC1CCCCC1 864275 YXXHXVMBCCVMMR-GFCCVEGCSA-N 357.428 1.373 0 40 FDAB O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1N1CCOCC1 4535503 KFAZNOBXQANDNL-OGRXGRENSA-N 368.389 1.533 0 40 FDAB O=S1(=O)CC[C@@H](N2CCN(Cc3cc(-c4cccs4)on3)CC2)C1 23247962 USSVIXIJWLNPGV-CQSZACIVSA-N 367.496 1.708 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21 6529837 ONWGGYYFEQJNEH-UHFFFAOYSA-N 362.349 1.278 0 40 FDAB CCCn1nnnc1NC(=O)c1cccc(I)c1 6636515 JEMRJAFMJKFWGQ-UHFFFAOYSA-N 357.155 1.940 0 40 FDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCCOCC)cc1 6880237 QXCCHAZXXGEQJW-UHFFFAOYSA-N 356.488 1.850 0 40 FDAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cnc(C)cn3)nc2c1 7133698 SQOQKLBULDPRSG-UHFFFAOYSA-N 354.322 1.165 0 40 FDAB CCOc1ccccc1N1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 12537159 MIOJTXJHTAOPQM-CQSZACIVSA-N 371.489 1.802 0 40 FDAB Cc1ccccc1C(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108529686 CKCDHGVJVGTWLQ-HNNXBMFYSA-N 366.483 1.698 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)NCc1ccccc1 12522840 ASMBHSNQJMEXTM-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc12 12544841 KQDUCLFDWKUJCT-UHFFFAOYSA-N 359.411 1.901 0 40 FDAB CC(C)OC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 52975212 STXWVARYZSBQNU-OAHLLOKOSA-N 360.410 1.725 0 40 FDAB O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102329134 KZTOSAGJSYOPQE-YFKTTZPYSA-N 350.396 1.457 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 25527655 YEJPYLOSZBVZBD-GOSISDBHSA-N 351.410 1.824 0 40 FDAB CS(=O)(=O)N1CCC2(CCC(=O)N(Cc3cccc(F)c3)C2)CC1 108531704 CUXBEZWOPYFEQF-UHFFFAOYSA-N 354.447 1.990 0 40 FDAB CCOC(=O)NCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 57201264 NFGXJPGIHTWUJA-CQSZACIVSA-N 362.430 1.703 0 40 FDAB O=CN1CCN(C(=O)CSc2ncnc3sc4c(c23)CCC4)CC1 3255746 BONSAHUXZIXMET-UHFFFAOYSA-N 362.480 1.573 0 40 FDAB Cc1ccc([C@@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 58264602 MRMRMWUUXVXFFZ-HZPDHXFCSA-N 370.540 1.634 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 107234005 LFWAFEGDDNHVLL-HKUYNNGSSA-N 371.462 1.799 0 40 FDAB CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915261 SBXMJBLFVPMMRN-UHFFFAOYSA-N 362.407 1.399 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NC(=O)NC1CCCC1 11036983 SOOZWSQIESJUDK-UHFFFAOYSA-N 353.444 1.579 0 40 FDAB CCCN1CCC(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 58434832 ZUPSEFISJKPTQQ-UHFFFAOYSA-N 367.471 1.532 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O 12890571 DUEJWJJXXGGYPC-KSSFIOAISA-N 361.398 1.610 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 3522959 AZIUCRRFQOGMSK-VIFPVBQESA-N 351.407 1.948 0 40 FDAB O=C(N1CCCCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 12915232 CKNPGMSEEGHMHL-UHFFFAOYSA-N 356.470 1.799 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cs1 65523277 ADTHFNGTBLYCLU-CYBMUJFWSA-N 374.532 1.277 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 14168687 PTZPPUHOVABUOC-BIWSTMPVSA-N 362.426 1.936 0 40 FDAB O=S(=O)(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)N1CCCCC1 96000663 FEKLYEFNVKFILI-OAHLLOKOSA-N 361.471 1.580 0 40 FDAB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)NCc1ccccc1 6544839 UBJSGVXFRSDLBN-AWEZNQCLSA-N 365.389 1.645 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)NCCCN3CCCC3=O)ccc12 6659778 HVALVJQVMNEHSO-UHFFFAOYSA-N 358.394 1.609 0 40 FDAB biogenic CCCNC(=O)CN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 6879135 NHODZIRVUYYBDL-UHFFFAOYSA-N 366.418 1.952 0 40 FDAB O=C(CSc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1 4985331 TYYVCSGXKIWPNW-UHFFFAOYSA-N 350.831 1.768 0 40 FDAB Cn1c(N2CCN(C(=O)C3CC3)CC2)nc2sc3c(c2c1=O)CCC3 9304556 SIYZVQSABQFTNP-UHFFFAOYSA-N 358.467 1.542 0 40 FDAB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 7716797 YRONPVCQSPKRKW-UHFFFAOYSA-N 368.390 1.557 0 40 FDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccco1 8277217 VUDSXPAITJWUHA-CQSZACIVSA-N 360.366 1.006 0 40 FDAB Cc1ccc(NC(=O)Cn2ccsc2=N)cc1S(=O)(=O)N(C)C 8328554 CGXNQBDBMGEIDY-UHFFFAOYSA-N 354.457 1.226 0 40 FDAB CC(C)(CC(=O)N1CCC[C@H](c2nnn[nH]2)C1)NC(=O)OC(C)(C)C 95432770 WUCOHZDIHCBIMU-NSHDSACASA-N 352.439 1.599 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CCC(=O)O)cc1 95970529 PAQFAZDNBPMFID-UHFFFAOYSA-N 370.471 1.583 0 40 FDAB CCCC(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306134473 NOVKZSXYMSKVSF-HNNXBMFYSA-N 352.456 1.414 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)c1 75166417 BFIJINKIDHUHKE-OAHLLOKOSA-N 354.410 1.838 0 40 FDAB Cc1ccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773631 KWLCKTSZPITRDS-DLBZAZTESA-N 350.484 1.855 0 40 FDAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(CO)CO)n2)n1 72384846 IUBHAHLRPBRJIE-MRXNPFEDSA-N 372.473 1.816 0 40 FDAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)cnn1C 72337124 BEEUWWAZZDHSOG-UHFFFAOYSA-N 365.459 1.041 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217642650 QXIUJWRVMTUSFI-UHFFFAOYSA-N 356.444 1.690 0 40 FDAB CN1CCN(Cc2nc(C3(O)CCN(C4CCC4)CC3)cs2)CC1 225424883 LUGNENMMTKRBLT-UHFFFAOYSA-N 350.532 1.726 0 40 FDAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1ccco1 85880001 ATVVABVTYLEEML-KRWDZBQOSA-N 369.421 1.882 0 40 FDAB biogenic Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCO)o2)cc1 223408667 PSHLWHVYIISGPW-UHFFFAOYSA-N 366.439 1.521 0 40 FDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 40058558 YLNWHECMNFQOAS-AWEZNQCLSA-N 351.472 1.049 0 40 FDAB Cc1ccc(C)c(CN2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)c1 96107880 VZUDKVFFFOMYFC-ZWKOTPCHSA-N 352.500 1.976 0 40 FDAB COCCC(=O)N1CCC[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 96224398 QECZDCYMTDPTEV-KRWDZBQOSA-N 351.472 1.829 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244134 IIJCQSSKQIKFSP-QGZVFWFLSA-N 364.471 1.264 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24830378 UBFFVXIMXFQYHM-UHFFFAOYSA-N 365.389 1.898 0 40 FDAB CC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 257247255 IYDYYPXWCWYTHL-IAGOWNOFSA-N 350.390 1.035 0 40 FDAB COc1ncc(CN2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 257306973 SWTBTOYKXWIUKB-OAHLLOKOSA-N 353.426 1.824 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@]2(N)CN)cc1 252516055 PTPFNGVQICZZJF-RCCFBDPRSA-N 360.435 1.320 0 40 FDAB O=C(O)COc1ccc(CN2CCOC[C@H](Cc3ccncn3)C2)cc1 257290922 QEVPGPGTCBTGPP-MRXNPFEDSA-N 357.410 1.631 0 40 FDAB NS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1 373468685 YSCJKJYPJZPBMT-WDEREUQCSA-N 357.398 1.570 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCc2cc(C)cc(OC)c2)[C@H]1c1nccn1C 1615588000 BICZYINGKXAMJL-WMZOPIPTSA-N 370.453 1.963 0 40 FDAB CCc1ccc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1OC 626580686 TZDFQCVGOMUCGU-CQSZACIVSA-N 371.459 1.040 0 40 FDAB O=C(O)Cn1cc(S(=O)(=O)NC2(c3cccc(Cl)c3)CCC2)cn1 646060567 XCZWXCJMYGCSHL-UHFFFAOYSA-N 369.830 1.979 0 40 FDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@H](N)CCO2)C1 652165983 GFYLVKFYMQRQLX-JJTUDDRGSA-N 355.479 1.108 0 40 FDAB CN1CCO[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C 1775959346 PTZBWTXSUFFNPO-ROUUACIJSA-N 354.410 1.968 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cc(C(C)C)nn2C)C1 1775957044 AOESLQAYUSBSGN-OCCSQVGLSA-N 358.446 1.683 0 40 FDAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(C(=O)c3cc4c(s3)CCC4)C[C@@H]21 575405286 RFDJSQBKGLGCND-RBSFLKMASA-N 360.479 1.946 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)c1 575402718 BDVPNAQCYTVJOP-JFIYKMOQSA-N 368.437 1.246 0 40 FDAB CC(=O)NCCCC(=O)N1CCC[C@@]2(CCN2Cc2c(C)noc2C)C1 585102271 VZNUHJKPQGNWFW-LJQANCHMSA-N 362.474 1.775 0 40 FDAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(C(=O)CN(C)C)CC2 585102900 HHSOBXCCIIRKBA-INIZCTEOSA-N 365.543 1.997 0 40 FDAB CN(C)C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21 48764891 ZXLFMAJXZHDBHW-INIZCTEOSA-N 367.405 1.967 0 40 FDAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2C(=O)CNC2=O)C1 585331443 LRRIBZRMILXRRR-CYBMUJFWSA-N 369.343 1.791 0 40 FDAB CCN1C(=O)c2ccc(-c3ccc(/C=C4/NC(=S)NC4=O)o3)cc2C1=O 5672303 ZBLLPYCTWOIXDR-MDWZMJQESA-N 367.386 1.908 0 40 FDAB O=C(Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O)NC1CC1 12117395 VECWVMMSIILPCR-UHFFFAOYSA-N 353.357 1.514 0 40 FDAB C[C@@]1(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)CCCO1 12121483 JTMOBDCRPKEMBB-AWEZNQCLSA-N 359.473 1.217 0 40 FDAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)[C@H]2CCCO2)cc1 19581446 KQAPQAPTSCRIPG-MRXNPFEDSA-N 354.410 1.641 0 40 FDAB O=C(CCCN1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CCNCC2 19710630 LGFIZPAGFWFAFY-QGZVFWFLSA-N 374.533 1.744 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 19746168 QTAXLRGQHOWEFI-ZDUSSCGKSA-N 358.446 1.722 0 40 FDAB COc1cc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)NC(=O)[C@H]23)ccc1O 19171807 DLDBZAVQHDYZBM-ZACQAIPSSA-N 353.378 1.104 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 12199481 YWVOVMZVODBLLG-UHFFFAOYSA-N 374.418 1.827 0 40 FDAB O=C(C1CCCC1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23232499 GRXYECRVCIGALM-UHFFFAOYSA-N 358.421 1.636 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3214208 IPNGWCBDARXHIS-KBPBESRZSA-N 354.472 1.967 0 40 FDAB COCCn1nc(C(=O)N(C)CCOc2ccc(OC)cc2)ccc1=O 21927628 WQKMFBNJOKZHMP-UHFFFAOYSA-N 361.398 1.049 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1[C@H]2CC[C@H]1c1cncnc1C2 252569016 VTZVFJPKFYDBLN-NHYWBVRUSA-N 359.407 1.698 0 40 FDAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2O1 1565549918 JKLZBGAXPNHWKF-XIRDDKMYSA-N 358.442 1.084 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1OC 2720346 YRFISTTULOHYIH-UHFFFAOYSA-N 365.411 1.705 0 40 FDAB Cc1c(C)n2c(SCC(=O)N3CCc4ccccc43)nnc2[nH]c1=O 4250370 DJJWPSDDOALSEN-UHFFFAOYSA-N 355.423 1.716 0 40 FDAB COc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC 10250785 YEHOSFFFVFBHJN-UHFFFAOYSA-N 371.397 1.749 0 40 FDAB CCc1nccn1CC1CN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1849111108 YPLQNRMBGIFLLT-UHFFFAOYSA-N 366.421 1.871 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1cccc3[nH]ccc13)CC2 2055731759 SDSGTBYVTSXNHL-ZDUSSCGKSA-N 374.466 1.852 0 40 FDAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2ccon2)c2cccs2)n1 585148189 YELHOHQRKGCXGD-GFCCVEGCSA-N 359.411 1.894 0 40 FDAB COCc1cn([C@H]2CCN(C(=O)c3cc(F)c(F)c(OC)c3F)C2)nn1 585149662 HNVUEXPWRSCJFC-JTQLQIEISA-N 370.331 1.938 0 40 FDAB O=C(CNC(=O)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 78361135 JVMNXJUXWRFRMJ-UHFFFAOYSA-N 353.422 1.887 0 40 FDAB CCN(CC(=O)NC)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 40121173 MUPITDDLJCLZEU-UHFFFAOYSA-N 353.728 1.884 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)C2CCN(C(=O)NC3CC3)CC2)C1 40106441 XXMVQXBZOXEFQR-KBPBESRZSA-N 365.474 1.618 0 40 FDAB O=C(Nc1cccc(C(=O)NC2CCCC2)c1)N[C@@H]1CCS(=O)(=O)C1 32090170 CNGOBOXXWSJUNG-OAHLLOKOSA-N 365.455 1.668 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 101270576 HOYZZNPPDNTLNZ-VDUILEQBSA-N 350.396 1.710 0 40 FDAB COc1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 20648112 LPZFRBVPBHCBNB-KRWDZBQOSA-N 360.410 1.857 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102088225 GUSQRVIGTKPWEJ-PYTWLRIVSA-N 368.389 1.609 0 40 FDAB COCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 23055760 FGDRYFBDXIPQTC-UHFFFAOYSA-N 363.395 1.171 0 40 FDAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c1 4416004 HKHFCDOQPOWYPD-UHFFFAOYSA-N 374.382 1.476 0 40 FDAB COc1cccc(CCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 23308856 NIOUPHAXQBKAIF-UHFFFAOYSA-N 373.453 1.999 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1 7580861 DKZNRLFGRYWFIU-UHFFFAOYSA-N 356.378 1.366 0 40 FDAB CN1C[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)CC1=O 100775462 MNFXQPRCIFGEOE-NSHDSACASA-N 351.366 1.633 0 40 FDAB O=C(NC[C@@H](O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1O 61720525 LVRQZUYGNITGSM-CQSZACIVSA-N 350.758 1.540 0 40 FDAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1 12508586 MQMGZTYPCUYYIO-XCVCLJGOSA-N 371.378 1.561 0 40 FDAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NC(C)C)c1=O 57490840 ABSVWNUFGUELNT-UHFFFAOYSA-N 373.434 1.747 0 40 FDAB CN(CCOc1ccc(F)cc1)CCOc1ccc(S(N)(=O)=O)cc1 27373393 DPCJWMUOZFDLQF-UHFFFAOYSA-N 368.430 1.863 0 40 FDAB Cc1nn(C)c(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 10197660 RDJTWUJIHRKJEQ-UHFFFAOYSA-N 353.386 1.905 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCCCC3)C2=O)cc1 8844946 LWMZDVMQYGQNHO-LJQANCHMSA-N 359.426 1.911 0 40 FDAB CN(CC(=O)NCc1ccccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 58280847 LBQKLCWWRYPGDN-INIZCTEOSA-N 365.499 1.022 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1cn(Cc2ccccc2)nn1 48235889 OLPJYWKBUOVBJM-UHFFFAOYSA-N 360.381 1.232 0 40 FDAB CC/C=C(\C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 97284845 DSEIJMPQCVBTMD-LNKIKWGQSA-N 352.456 1.680 0 40 FDAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3360113 OYFPNBMNRABXPA-LBPRGKRZSA-N 373.356 1.853 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 59746058 DZLDBTLINWIQFZ-UHFFFAOYSA-N 373.283 1.615 0 40 FDAB O=C(NCc1nnc2ccccn12)[C@@H]1CC(=O)N(c2ccccc2F)C1 23644773 WCVZBXYCLDIPJE-GFCCVEGCSA-N 353.357 1.538 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C1 62302838 OULUTMGUYHWCBE-OAHLLOKOSA-N 354.447 1.788 0 40 FDAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2cnccn2)n1 48309389 UNIKZZRKXVCNOR-UHFFFAOYSA-N 363.853 1.998 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3476164 UFTPNAXXEFWOAW-LBPRGKRZSA-N 370.361 1.716 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306143404 YBNNLUUJBNTOQX-HUUCEWRRSA-N 358.467 1.496 0 40 FDAB O=C1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cc2)CCN1 48638555 IHTRTOJNMZIGDL-UHFFFAOYSA-N 372.469 1.790 0 40 FDAB CCCNc1nc(OC)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 3626498 NVLPYQDDTLPGMX-OLZOCXBDSA-N 356.430 1.488 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cc(F)cc3c2OCOC3)s1 8938408 QDXUAXFALDRWSJ-MYWVIAIHSA-N 363.410 1.667 0 40 FDAB CN(C)S(=O)(=O)CCCN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 95349277 BJAPIDZOMDSSLO-OAHLLOKOSA-N 371.484 1.113 0 40 FDAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 5274319 FSWLDJRHFVIPIX-MRXNPFEDSA-N 350.422 1.976 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 5247435 BMGQDIIYCKQCAZ-ONGXEEELSA-N 356.256 1.513 0 40 FDAB NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1 4615474 IUOMBVUSPSCTKH-CYBMUJFWSA-N 369.343 1.535 0 40 FDAB COc1cccc(C(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002945 PJNWNELONCZBRN-INIZCTEOSA-N 356.426 1.787 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCc2ccccc2F)c(=O)[nH]c1=O 19623887 VBVKROUBZBJQIL-UHFFFAOYSA-N 362.405 1.654 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN[C@@]2(C(=O)OC)CCSC2)c1 95454689 XWCOWQFZUMXBLY-KRWDZBQOSA-N 365.455 1.013 0 40 FDAB CN(C)CCCn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 6759575 IFUCDEIMXHYCGC-UHFFFAOYSA-N 351.472 1.565 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1F 6819013 ZEGXAZZTYHNHKV-UHFFFAOYSA-N 367.402 1.437 0 40 FDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 6905269 VMMZWPHGOZFXEW-UHFFFAOYSA-N 352.334 1.438 0 40 FDAB O=C(CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)NC1CC1 6990204 STUUBLOYAXZGRJ-UHFFFAOYSA-N 373.434 1.496 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1 9418775 DLMRWONTBFDPIW-UHFFFAOYSA-N 372.406 1.597 0 40 FDAB Cc1cc(=O)c(C(=O)NNC(=O)Cc2ccccc2)nn1-c1ccccc1 15525273 IGHARXVDPBQIOX-UHFFFAOYSA-N 362.389 1.545 0 40 FDAB Cn1cnc([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306139085 SOZCOHNWEXRMDC-MGPUTAFESA-N 368.437 1.881 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 7782827 IBDLWRCYCGYUHL-CYBMUJFWSA-N 361.467 1.906 0 40 FDAB CN1CC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1=O 8734256 WKJQWVONJBBZTC-LBPRGKRZSA-N 372.406 1.913 0 40 FDAB CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC2(CCCC2)c2c(F)cccc21 89954605 ACYIWRZKILTJDP-CQSZACIVSA-N 361.417 1.754 0 40 FDAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NC(C)C)c(=O)c1CCO 67300612 JJWZDTHIYJUKLO-UHFFFAOYSA-N 363.845 1.932 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 36364826 FEEVXISYSSEFCY-AWEZNQCLSA-N 363.439 1.836 0 40 FDAB Cc1ccc(CC(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 306143719 YKHLPUIVCDMJEP-RCCFBDPRSA-N 352.438 1.913 0 40 FDAB OC[C@H]1CCC2(CCOCC2)CN1Cc1nnnn1Cc1ccccc1 528642636 ZSIZHDRLUXKIKN-QGZVFWFLSA-N 357.458 1.475 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3cnccn3)C2)o1 306135631 OWHCPCBKTWRYGM-HNNXBMFYSA-N 366.425 1.637 0 40 FDAB CC(C)N(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1 32865656 BLJXMJQWPNAOIW-UHFFFAOYSA-N 356.426 1.547 0 40 FDAB CN1C(=O)c2cccc(N3CCN(C(=O)Cc4ccsc4)CC3)c2C1=O 14886993 AKKFNZBZGMKWLT-UHFFFAOYSA-N 369.446 1.865 0 40 FDAB O=C(O)CCCC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226751815 MVAURBPQZVBKLJ-UHFFFAOYSA-N 361.423 1.836 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1C 224240272 RUNUDXFPCYWZCG-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB COc1ccccc1N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 264641478 VMARIKSBNBGFSY-CQSZACIVSA-N 357.376 1.980 0 40 FDAB Cc1noc(-c2ccn3c(CNC(=O)Cc4c(C)noc4C)nnc3c2)n1 238949345 WSQJKWSACWAMQJ-UHFFFAOYSA-N 367.369 1.551 0 40 FDAB Cc1noc(C)c1CN1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225792 MZTPKBGUADUKSH-IBGZPJMESA-N 369.425 1.724 0 40 FDAB CCS(=O)(=O)[C@@](Br)(I)C(C)=O 96518572 BBPNIESMCGINGJ-YFKPBYRVSA-N 354.991 1.494 0 40 FDAB CC(=O)N1CC2(CCCCC2)c2cc(C(=O)N(CCO)CCO)ccc21 247930860 JVXMGQXXUDNAGL-UHFFFAOYSA-N 360.454 1.682 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)CCO2)n1 257243285 IGERHJCURNSBRJ-INIZCTEOSA-N 356.426 1.922 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NCC2CCOCC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382032 AADHKDXJAKRUHK-NCXUSEDFSA-N 361.486 1.271 0 40 FDAB biogenic,in-vitro COc1cccc2c1CN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)C2 624004731 RTDFMBUGYNWWQE-DOMZBBRYSA-N 367.471 1.438 0 40 FDAB Brc1cnc(OC[C@H]2CCCN(CCn3nccn3)C2)nc1 1775995750 HLNUZIBDADDLRW-LBPRGKRZSA-N 367.251 1.622 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](OC(F)F)C2)c(F)c1 1615000855 XSQLEDQEWDFCSP-DTWKUNHWSA-N 353.318 1.963 0 40 FDAB C[C@H]1CN(c2nc(=N)[nH]c(=N)[nH]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 624240593 NRDCZSMMKXTENX-GZMMTYOYSA-N 354.336 1.682 0 40 FDAB Cc1noc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)C[C@@H](C)O2)n1 625478053 BRCBQWDQKLKAGT-PRHODGIISA-N 359.354 1.807 0 40 FDAB O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3ccc4c[nH]nc4c3)C2)nn1 630197428 QENFBNFXEVDIJW-ZDUSSCGKSA-N 354.370 1.259 0 40 FDAB O=C(O)COc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1 656849150 JDGBPHHWIWFURA-UHFFFAOYSA-N 355.394 1.944 0 40 FDAB Cc1nc(/C=C/C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)cs1 585289055 CKYOVZHFMQJYQR-UGTWAWMQSA-N 351.472 1.147 0 40 FDAB Cc1nccn1CCCC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585276945 DYKZMOYKOMDMLN-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cnc(C2CCNCC2)[nH]1 685941605 DNKLFMFWGYQRIV-MRXNPFEDSA-N 353.426 1.433 0 40 FDAB COc1ccc(NS(=O)(=O)c2cccc(NC(=N)NC(=N)N)c2)cc1 5598755 ORVVQNBEQDMZAH-UHFFFAOYSA-N 362.415 1.326 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 5060475 NMWVPEQFHZWIEB-GFCCVEGCSA-N 352.412 1.662 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12 12117688 ZCANFTLCAHJHCU-UHFFFAOYSA-N 371.441 1.546 0 40 FDAB Cc1sc2nc(C)n3c(=O)n(CC(=O)NCc4ccco4)nc3c2c1C 12144875 OTFQAHKDOWOFCY-UHFFFAOYSA-N 371.422 1.940 0 40 FDAB COc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(C)n1 12224467 OJCOKCMBILCFRY-UHFFFAOYSA-N 366.418 1.444 0 40 FDAB CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 12367318 NKGNLZGEMPILKU-ZDUSSCGKSA-N 370.409 1.536 0 40 FDAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12794002 JXBKWOSWPOLWDI-UHFFFAOYSA-N 354.332 1.680 0 40 FDAB O=c1/c(=C/c2ccc(N3CCOCC3)o2)sc2nc3ccccc3n12 13003560 DYIBJIXRHLCTGW-PTNGSMBKSA-N 353.403 1.887 0 40 FDAB CS(=O)(=O)/N=c1/[nH]c(CC(=O)/N=c2\[nH]c3ccccc3s2)cs1 13570227 VECBSRXVFBHLRA-UHFFFAOYSA-N 368.465 1.149 0 40 FDAB C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCCC1 19078108 BJSZUBFXLSYPEK-HNNXBMFYSA-N 357.502 1.703 0 40 FDAB COC(=O)Cn1c(C)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c2ccccc21 19581923 KBMBQDOVLMFSLC-HYVNUMGLSA-N 371.481 1.762 0 40 FDAB Cn1nc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1O 668000260 CJZYRYXQHDQTPG-UHFFFAOYSA-N 366.780 1.516 0 40 FDAB Cn1cccc1[C@@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 21154037 CAUNPQGLXSUZSX-CQSZACIVSA-N 355.485 1.438 0 40 FDAB COC1CCN(C2CN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1 575606653 RGDJZZPXBWPUHH-UHFFFAOYSA-N 358.891 1.965 0 40 FDAB Cc1noc(C)c1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 5197736 XYKDIAQWXLOCHH-ZDUSSCGKSA-N 372.443 1.120 0 40 FDAB O=C(C[C@@H]1COc2ccccc2O1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888865619 DWPMJCJNMYWTEZ-BZUAXINKSA-N 366.421 1.601 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@@H]3C2)nc(O)c1F 1888866647 XTQJQKMEPIOCKH-GHMZBOCLSA-N 361.377 1.389 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)C5CCCC5)C[C@H]4C3)ncnc21 1888867090 NCSQOEGWZNNRAC-HUUCEWRRSA-N 354.458 1.931 0 40 FDAB Cn1cnc2c(N3CCN(c4nc5ccc(F)cc5o4)CC3)ncnc21 1888922010 GHVGPQXQDMRSCS-UHFFFAOYSA-N 353.361 1.970 0 40 FDAB Cn1ccc(CC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)n1 1889211468 FSGSNZZXADWZBE-UHFFFAOYSA-N 368.466 1.830 0 40 FDAB Cc1cc(=O)c(C(=O)NCCC(=O)OC(C)C)nn1-c1ccccc1F 18233409 ANCRHNZUVUSHLI-UHFFFAOYSA-N 361.373 1.752 0 40 FDAB O=C(c1cnccn1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985099 XUPYQMPYQYIERH-LJQANCHMSA-N 352.394 1.372 0 40 FDAB O=C(NCCn1ccc(-c2cnccn2)n1)c1ccc2nsnc2c1 253472683 OLSWKMFVRWWFJM-UHFFFAOYSA-N 351.395 1.775 0 40 FDAB C[C@@]1(C(=O)N2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)CC=CCC1 1565556764 UKGIFULUQQSHIY-WAWZGNHOSA-N 369.469 1.862 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565552827 YDYGOBVFLDHWEJ-UHFFFAOYSA-N 374.529 1.863 0 40 FDAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@]1(NC(C)=O)C(F)(F)F 4689250 OGIKKKPSBJAVPE-INIZCTEOSA-N 370.327 1.913 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352589 VNSABQFIKLVVLP-OAHLLOKOSA-N 362.426 1.156 0 40 FDAB Cc1nnc2ccc(N3CCN(c4ccc(-c5ccccn5)nn4)CC3)nn12 1775974971 ZJJOTZZKOVZLEO-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB O=C(c1cn[nH]c1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775971927 YWDFQCBYEOQGBR-UHFFFAOYSA-N 352.373 1.968 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2cccnn2)C1 225409997 LYSLODFNWJBXIJ-CQSZACIVSA-N 365.393 1.257 0 40 FDAB C[C@@H](C(=O)NCC(=O)OCc1ccccc1)n1nc2c(cc1=O)CCC2 585150109 ASAXCAIWESPZLT-ZDUSSCGKSA-N 355.394 1.153 0 40 FDAB CC(C)[C@@H](N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144254 NYFHROAKXVJOST-LJQANCHMSA-N 371.485 1.517 0 40 FDAB Cc1ccsc1[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 70635693 POKVMLKGZUZGMW-CQSZACIVSA-N 368.480 1.770 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(N2CCOC2=O)c1 40074134 DJSBVRSCHOPVLR-HUUCEWRRSA-N 371.393 1.757 0 40 FDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1nnc2n1CCC2 40037540 FYEJPHHOLJTLMF-KRWDZBQOSA-N 371.441 1.792 0 40 FDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)NCC(=O)O 20745576 RUFDLUUYTJDVPB-UHFFFAOYSA-N 351.359 1.188 0 40 FDAB COc1cc(C)c(N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 52636505 REWVLTIDWFKAKT-OLZOCXBDSA-N 370.471 1.458 0 40 FDAB Cc1c(C(=O)NCc2cccnc2-n2cncn2)[nH]c2c1C(=O)CCC2 47122658 QRXONHBEYUMPDY-UHFFFAOYSA-N 350.382 1.748 0 40 FDAB O=C(Cc1cnc(-c2ccccc2F)s1)N[C@@H]1CCS(=O)(=O)C1 12391102 RMNXFJHCAFEVEY-SNVBAGLBSA-N 354.428 1.795 0 40 FDAB CC(C)n1cc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 79480545 TUGVYAZWXQHZMD-UHFFFAOYSA-N 363.483 1.869 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NOCc1ccccc1 23040118 FJSONNLPOJTHMS-UHFFFAOYSA-N 372.425 1.096 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCCCNC2=O)cc1 47660916 ZCZFHNFJTSRPSH-OAHLLOKOSA-N 366.483 1.543 0 40 FDAB CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C 8087460 AUUCKAFIMGKVFA-OAHLLOKOSA-N 355.460 1.473 0 40 FDAB CN(Cc1ccsc1)C(=O)COC(=O)Cn1cnc2ccccc2c1=O 8278424 FCMAVTLKHMRSAH-UHFFFAOYSA-N 371.418 1.660 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24610950 KCHXELKMASJOCG-OAHLLOKOSA-N 368.499 1.688 0 40 FDAB O=C(N1CCN(c2cnccn2)CC1)C1(c2ccccc2)CCOCC1 24617968 YBAAQHJEHALPOI-UHFFFAOYSA-N 352.438 1.874 0 40 FDAB CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(Cc2nc(C)no2)CC1 106763695 VJXYGUCXXRSRFC-HNNXBMFYSA-N 363.462 1.203 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2ccccn2)CC1 56599412 CABZCVJGDDHLJC-MRXNPFEDSA-N 366.487 1.742 0 40 FDAB CNC(=O)COc1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1OC 44026296 MKCHRQRCLIZCPA-OQLLNIDSSA-N 366.373 1.631 0 40 FDAB Cc1oc([C@H](O)[C@H](O)[C@@H](O)CO)cc1C(=O)OCc1ccc(Cl)cc1 12611893 ZZHUOAPJSCRHRZ-IMJJTQAJSA-N 370.785 1.346 0 40 FDAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 20244544 MBCLMGGXLBTNRE-UHFFFAOYSA-N 353.488 1.975 0 40 FDAB COc1ccc(C(N)=O)c(O[C@H](C)C(=O)NCc2ccccc2OC)c1 48263070 CQQYPHAAWAMURQ-GFCCVEGCSA-N 358.394 1.886 0 40 FDAB COC(=O)c1ccc(OCC(=O)N2CCN(C(C)=O)CC2)c(Cl)c1 48264705 MGGAFAOQXFRMNP-UHFFFAOYSA-N 354.790 1.196 0 40 FDAB COC(=O)c1cnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)s1 12790281 IBOFPVGBVNKZLP-UHFFFAOYSA-N 370.390 1.838 0 40 FDAB C/C=C/c1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(OC)c1 12759759 KGSJXSVGEKDKTI-LAQIPUCWSA-N 353.440 1.801 0 40 FDAB O=C(c1cnn[nH]1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138652 NKGWOFBOFRDPTM-LLVKDONJSA-N 367.413 1.452 0 40 FDAB O=C(O)c1cccnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 12750440 XQFQHESFPXBFGK-UHFFFAOYSA-N 367.452 1.789 0 40 FDAB CCOC(Cn1cc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)nn1)OCC 58265656 DCEFUFCPNHGYSL-UHFFFAOYSA-N 350.423 1.950 0 40 FDAB Cc1ccc(-n2nnc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1Cl 51317426 AMGIUGCNYTVNAV-UHFFFAOYSA-N 361.833 1.875 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1 58181400 LGWHZEMVPKSKAN-UHFFFAOYSA-N 365.499 1.718 0 40 FDAB CN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 8724096 XMEPKEVEYFPNLW-CVEARBPZSA-N 355.500 1.843 0 40 FDAB CCc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c1c(=O)n(C)c(=O)n2C 9043213 YTKGMFUOLIWIBP-NSHDSACASA-N 356.382 1.360 0 40 FDAB Cc1c(C)n(-c2nccs2)c2ncn(CCN3CCOCC3)c(=N)c12 9048597 OUQJKLBOEOLJIE-UHFFFAOYSA-N 358.471 1.712 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCC2)c1 14095166 YJBBQYYSJPVVNN-UHFFFAOYSA-N 367.471 1.069 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O 14135503 XEZGLIPSQHDSQX-QGZVFWFLSA-N 362.386 1.205 0 40 FDAB COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N(C)OC 14141363 FWIAEYAPJSPVHX-UHFFFAOYSA-N 356.444 1.940 0 40 FDAB CC(C)c1ccc(CCNC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 14201957 BQYWYRINDKBFGU-UHFFFAOYSA-N 358.442 1.736 0 40 FDAB CCN(CC)CCNC(=O)CCCC(=O)NCc1ccc2c(c1)OCO2 4715655 GBNXMSPJGXFOET-UHFFFAOYSA-N 363.458 1.660 0 40 FDAB COCC(=O)Nc1cccc(NCC(=O)NC(=O)NCC(F)(F)F)c1 70017506 OPPXJCZIFZHTEH-UHFFFAOYSA-N 362.308 1.072 0 40 FDAB COCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408607832 QNTTZVMXXDZYII-QGZVFWFLSA-N 362.451 1.339 0 40 FDAB CC(=O)NCCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 84753069 HXVAEHUMRXKTES-UHFFFAOYSA-N 365.480 1.773 0 40 FDAB O=C(CCN1C(=O)c2ccncc2C1=O)Nc1ccc2c(c1)COC2=O 95472295 NDGKKLHRYMCLSB-UHFFFAOYSA-N 351.318 1.377 0 40 FDAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)CC1(CC(=O)OC)CC1 75093743 GMONTRJTYBJWJN-UHFFFAOYSA-N 369.439 1.335 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@@H](c2nncn2C)C1 75111074 SXBLPZYESGVZPE-CYBMUJFWSA-N 367.417 1.511 0 40 FDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cc(C)cnc12 24988298 WFRMBGILSKNRKQ-CQSZACIVSA-N 368.480 1.741 0 40 FDAB COc1cccc(CN2C[C@H]3Cn4c(nn(CC(C)C)c(=O)c4=O)[C@@H]3C2)c1 306142058 WOGKROWKGRUHHN-DOTOQJQBSA-N 370.453 1.299 0 40 FDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1csc(C)n1 306126904 FIMDYYYRPRFLJW-ZDUSSCGKSA-N 360.501 1.799 0 40 FDAB c1cc2n(n1)[C@@H](CCN1CCCCC1)CN(c1ccc3nncn3n1)C2 306128845 HMKXLKOHKXFTMT-INIZCTEOSA-N 352.446 1.758 0 40 FDAB COCCn1c(C(=O)NCCN2CCCCC2)nc2ccccc2c1=O 31817169 SVDFOEPXWTVJMY-UHFFFAOYSA-N 358.442 1.259 0 40 FDAB COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc3c(c1)CCO3)CCO2 306137782 RGIMTTFJUAPNAX-CTNGQTDRSA-N 374.481 1.898 0 40 FDAB Cc1c(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)nnn1Cc1ccccc1F 549024627 NUPJRTYHXMSZJI-SFHVURJKSA-N 372.404 1.518 0 40 FDAB CCOC(=O)CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217372386 KGVULXGYAKHOKC-CYBMUJFWSA-N 359.831 1.532 0 40 FDAB C=C1C2=C(Nc3nnnn3[C@H]2c2cc(OC)ccc2OC)C(=O)N1CCC 35323746 SUMJRNYNQDOESJ-INIZCTEOSA-N 368.397 1.725 0 40 FDAB O=C(c1cccs1)N1CC(CS(=O)(=O)NCc2ccccn2)C1 521398230 BMPCSLUNRGWEGY-UHFFFAOYSA-N 351.453 1.335 0 40 FDAB Cc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC2)n1 36741401 HOZFSKOQSMIHGE-GOSISDBHSA-N 354.454 1.884 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC[C@@H]1CCCO1 222662084 ZPFXBHISNYQOEE-AWEZNQCLSA-N 370.471 1.173 0 40 FDAB CN(C(=O)CN1C(=O)N=C(O)C1(C)C)[C@H]1CCN(Cc2ccccc2)C1 329991207 JSZNADXZQVLSCX-HNNXBMFYSA-N 358.442 1.890 0 40 FDAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1n[nH]c2c1CCC2 96116118 UCHWOJTWLZYKMH-HNNXBMFYSA-N 365.393 1.707 0 40 FDAB biogenic Cn1cc(CN2CCO[C@@H]3CN(C(=O)Cc4ccccc4)C[C@@H]3C2)cn1 96108107 VUQRCECHHXDBQR-RBUKOAKNSA-N 354.454 1.322 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccnnc1)CC2)c1cnccn1 96051523 HYHITUTWQYDMAD-OAHLLOKOSA-N 352.398 1.081 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]2CNC[C@H]21 333495171 BVSLFPJUFVECQC-SLEUVZQESA-N 371.890 1.217 0 40 FDAB COCCN1CC2(CCN(C)CC2)COc2ccccc2S1(=O)=O 96263525 NOBKXMMPVXNKBP-UHFFFAOYSA-N 354.472 1.428 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](Cc3cnc(-c4nccn4C)cn3)C2)cn1 257285603 PHXYHROJZRTKIZ-CYBMUJFWSA-N 351.414 1.315 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](c2ccnc(O)n2)C1 257227100 FNQLIIHUUSQUEZ-JTQLQIEISA-N 355.320 1.804 0 40 FDAB CCn1cncc1CN1[C@H]2CC[C@H]1c1cnc(N3CCC[C@H](O)C3)nc1C2 257238382 HKSNBILZYHGOJZ-QOKNQOGYSA-N 368.485 1.916 0 40 FDAB Cc1ccc(-c2cncc(C(=O)N3CCC[C@@](O)(CC(N)=O)C3)c2)cc1 644003178 AMUIAAHCHQHFHT-HXUWFJFHSA-N 353.422 1.900 0 40 FDAB C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 655873896 KIJYNSBGAPGDLE-ZDEQEGDKSA-N 360.476 1.388 0 40 FDAB Cc1cc(NC(=O)NCc2nnc3n2CCOCC3)nn1-c1ccccc1 1615590964 NEBMUSOKFXATGN-UHFFFAOYSA-N 367.413 1.667 0 40 FDAB CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)n1 607487850 BCOIHZCGHLXTIB-KUHUBIRLSA-N 354.410 1.650 0 40 FDAB CSc1ccc([C@@H](O)CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 96103135 IUVQUGFBKVIJHX-HNNXBMFYSA-N 372.512 1.230 0 40 FDAB C[C@@H]1CC[C@H](NC(=O)N[C@@H]2COc3ccc(F)cc3C2)CS1(=O)=O 664916637 PBEPZKQSEAKNBX-SWHYSGLUSA-N 356.419 1.394 0 40 FDAB Cc1csc(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 585273019 QHRFLBROYXICNV-UHFFFAOYSA-N 352.393 1.506 0 40 FDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 585283208 LTPLZOKJFRPJLS-HXUWFJFHSA-N 372.396 1.991 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1Cc1ccc(F)cc1 585279142 VSPAJVFWERIUMU-ROUUACIJSA-N 358.417 1.761 0 40 FDAB Cc1noc(CC(=O)N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)n1 585113553 KWWNNUREUDTRTD-SFHVURJKSA-N 357.414 1.071 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(SC)s2)C1=O 46586403 JHUKNGHKXVHFLN-LLVKDONJSA-N 361.474 1.104 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ncon2)C(C)C)c1 585082007 PKQFKUPCWPTMAX-CYBMUJFWSA-N 352.416 1.495 0 40 FDAB CN1CCC(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)CC1 1615156489 JLKMFWMYRKDDJV-NRFANRHFSA-N 371.481 1.753 0 40 FDAB CCNC(=O)N[C@H]1CO[C@@H]2[C@@H](n3cc(CC4CCCCC4)nn3)CO[C@H]12 5410052 MPZWZPIPBYDYLR-MWDXBVQZSA-N 363.462 1.427 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1 12854174 XUNPAXBZVREVAW-UHFFFAOYSA-N 364.352 1.658 0 40 FDAB CC[C@@H](C(=O)NCCCN(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713983 RCVZRMOTAQNKGO-INIZCTEOSA-N 355.504 1.608 0 40 FDAB Cc1nccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)n1 19287529 JRDQFJUVOKRSEP-UHFFFAOYSA-N 353.473 1.420 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CC(C)C)C2)c2nccnc21 19446240 OALMOCNHBDVZAY-CQSZACIVSA-N 358.446 1.324 0 40 FDAB COc1cccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)c1OC 19567992 HMQZYPQISXRCDV-UHFFFAOYSA-N 370.453 1.889 0 40 FDAB COc1ccc2c(=O)n(CC3CCN([C@@H]4CCN(C)C4=O)CC3)cnc2c1 1848593514 PRCYARKWYAUOSJ-GOSISDBHSA-N 370.453 1.348 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1565545101 VWQYQVXOPRFQJA-UHFFFAOYSA-N 358.486 1.905 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 1565546555 GVSQOWIVSCKSIO-HNNXBMFYSA-N 352.456 1.390 0 40 FDAB Cn1cccc(C(=O)N2C[C@@H]3Cc4nc(N5CCCC5)ncc4[C@@H]3C2)c1=O 1565544944 VIEQBLPURLWISJ-XJKSGUPXSA-N 365.437 1.187 0 40 FDAB CCc1ccc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)cn1 1565553811 JXMFPSAQWWUUFP-UHFFFAOYSA-N 367.453 1.453 0 40 FDAB O=c1c2cc(N3CCOCC3)ccc2nc(S)n1Cc1ccccn1 2975985 XWDWGHIUUHWGCH-UHFFFAOYSA-N 354.435 1.965 0 40 FDAB O=C(COc1ccccc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251235 NXPCYMDDEIJYRI-UHFFFAOYSA-N 361.361 1.731 0 40 FDAB COc1ccc(-c2noc(CCn3c(=O)[nH]c4ccccc4c3=O)n2)cc1 16844317 ZCIJILATTOGGJU-UHFFFAOYSA-N 364.361 1.991 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccc(F)cc2)CC1 2055747091 GMDKYESPOXKBAT-UHFFFAOYSA-N 373.432 1.321 0 40 FDAB O=S(=O)(C1CC1)N1CCCN(c2ncc(Br)cn2)CC1 374568911 FFELLMRCSPQUJK-UHFFFAOYSA-N 361.265 1.243 0 40 FDAB COC(=O)c1ccc(-n2ncc(N3CCC(O)CC3)c(Cl)c2=O)cc1 40049824 ZLSKFKCIQYVCTB-UHFFFAOYSA-N 363.801 1.634 0 40 FDAB CC(C)Sc1ncccc1C(=O)NCCN1CCS(=O)(=O)CC1 40120966 FNSYBNOVYFPPDJ-UHFFFAOYSA-N 357.501 1.042 0 40 FDAB COc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 50846850 QREUDKYAAMPWFF-QGZVFWFLSA-N 355.394 1.765 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 20721214 DVRVOHCFXDULQN-CQSZACIVSA-N 361.417 1.505 0 40 FDAB O=C(c1cnccn1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808561 GEPJLKJFZNWXPA-UHFFFAOYSA-N 372.450 1.854 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(-n2cncn2)nc1 32902110 VZTRVGFWFZRFSY-UHFFFAOYSA-N 363.333 1.115 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1 33047850 BYAHSFGHIBORMK-UHFFFAOYSA-N 370.471 1.237 0 40 FDAB COc1coc(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1=O 79108082 LSAJPPRYPUKKFG-CYBMUJFWSA-N 358.394 1.857 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4155118 MXPSHXUSZHGSQS-ZJOBFFGXSA-N 354.424 1.914 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 23152974 RHEFSHJNBRGIGH-UHFFFAOYSA-N 361.369 1.034 0 40 FDAB COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1S(N)(=O)=O 7051299 XJXACSVSQGYDRD-UHFFFAOYSA-N 370.452 1.760 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1nnc2n1CCC2 42502851 OREYJOAWCOHCFW-UHFFFAOYSA-N 364.453 1.928 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2c(F)cccc2F)cc1 8158244 MQBUAFLCWIZSBH-UHFFFAOYSA-N 356.350 1.890 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 8936934 AKUSQMOOBHKOCV-INIZCTEOSA-N 359.382 1.643 0 40 FDAB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCCO2 24997374 DYJZSUXVNJJQFJ-INIZCTEOSA-N 372.425 1.113 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCn1nc(O)c2ccccc2c1=O 24989255 CWFMUUOJHDPBGU-HNNXBMFYSA-N 367.409 1.420 0 40 FDAB CCCc1ccccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 24503388 KQMNLLAIHZHBRY-UHFFFAOYSA-N 366.215 1.890 0 40 FDAB CN(C)C(=O)c1cccc(NCC(=O)NC(=O)NCc2ccccc2)c1 23902274 WENPFEINEMRSDV-UHFFFAOYSA-N 354.410 1.826 0 40 FDAB O=C(CSC(F)(F)F)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53679001 UWJDIOVUVFJVBH-UHFFFAOYSA-N 368.402 1.997 0 40 FDAB Cc1cc(CN2CCN(C(=O)C3CCN(CC(F)(F)F)CC3)CC2)no1 48246939 HRFHVYDOEXTKNW-UHFFFAOYSA-N 374.407 1.902 0 40 FDAB O=C1NCCN(S(=O)(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 58194759 CIACQJLOPQKRIM-HNNXBMFYSA-N 352.362 1.827 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 58224593 NACVLEQSBLBWRR-GOSISDBHSA-N 360.414 1.423 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N3C(S)=NC(=O)C(C)(C)N23)c1 10153633 GPHJQXNDRCYKHR-LBPRGKRZSA-N 360.439 1.664 0 40 FDAB CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 60060200 LDERWIZWBTXJMN-UHFFFAOYSA-N 358.383 1.422 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2coc(-c3cccs3)n2)CC1 12812920 RZNMXAAQTUWOAC-UHFFFAOYSA-N 369.468 1.691 0 40 FDAB C[C@]1(NC(=O)c2ccc(N3CCCCCC3)nc2)CCS(=O)(=O)C1 29786072 QMGHBMDTZWEIAH-KRWDZBQOSA-N 351.472 1.769 0 40 FDAB CCOc1ccccc1-n1nnnc1SCC(=O)NC[C@H]1CCCO1 3497118 BFOLZCWLYNLTHY-GFCCVEGCSA-N 363.443 1.448 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 12940962 PGHPAKWBKHKRKN-UHFFFAOYSA-N 364.361 1.939 0 40 FDAB COCc1nnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 19586927 KFOHFTKWLJJUMV-UHFFFAOYSA-N 367.431 1.220 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 65675120 DDRPTEKVHQQNDO-HUUCEWRRSA-N 356.470 1.942 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 14245916 RMZJJMVEGHPDBT-NSHDSACASA-N 371.411 1.198 0 40 FDAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)N2CCC(C)CC2)cc1 24833721 CMNXQZNRIIXYQQ-UHFFFAOYSA-N 365.499 1.987 0 40 FDAB CCNC(=O)C1CN(C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)C1 72313810 ZXUUBLUYCKJELA-UHFFFAOYSA-N 355.442 1.907 0 40 FDAB O=C(CSc1nnc(C2CC2)o1)NC(=O)[C@H]1COc2ccccc2O1 8245329 UHYLIZBIYKMDMI-GFCCVEGCSA-N 361.379 1.522 0 40 FDAB C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 69369198 VEEVCVZCWYANDQ-DZGCQCFKSA-N 370.471 1.137 0 40 FDAB COc1ccccc1[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCCCC1 69453713 DATYQPBUYSTTOT-KRWDZBQOSA-N 372.469 1.947 0 40 FDAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCNC(=O)c1ccoc1 96998203 HFMUENCBSBDRBU-IUODEOHRSA-N 355.394 1.794 0 40 FDAB NC(=O)c1nn(C[C@H](O)COCc2ccccc2)c(=O)c2ccccc12 24989725 UMPUYNUQSAZNCG-AWEZNQCLSA-N 353.378 1.073 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306137758 RFEOJHJQZBTGML-INIZCTEOSA-N 373.482 1.861 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408957730 VPRFYICDFQHRRI-GJJHYRHESA-N 371.389 1.483 0 40 FDAB Cc1cccn2c(=O)cc(OCC(=O)Nc3ccc4c(c3)OCCO4)nc12 36705334 RHUKHLITKKNOAF-UHFFFAOYSA-N 367.361 1.792 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218635852 BGOVWFCZECJKAB-DVOMOZLQSA-N 358.435 1.558 0 40 FDAB COc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 30757360 HYVSPRFBIDTTNW-UHFFFAOYSA-N 366.414 1.917 0 40 FDAB Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)CCCc2ccccc2)C1 72354525 YWGQZVULCZOHOV-OAQYLSRUSA-N 370.497 1.720 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cccc(Cl)c2)CC1 46167693 RHBLGSOCOMRNEU-HNNXBMFYSA-N 351.878 1.705 0 40 FDAB CN(CCc1nccs1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 190288444 HAAUEFHQHHZXMO-HUUCEWRRSA-N 363.483 1.585 0 40 FDAB Cc1nnc([C@H](C)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)o1 332602755 BCSRIHFTSZYJBV-FXBDTBDDSA-N 356.370 1.193 0 40 FDAB Cc1nc(CN2C(=O)CCC23CCN(C(=O)CN(C)C)CC3)cs1 96228193 PDJXSLUWRYPSJS-UHFFFAOYSA-N 350.488 1.497 0 40 FDAB CC(C)CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)NCc1cccnc1 96251052 VQTQQENNTFDTIR-BRWVUGGUSA-N 365.499 1.089 0 40 FDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccc(C)o1)C2 96050420 UXJNBVAPMKHNEI-IBGZPJMESA-N 371.441 1.161 0 40 FDAB O=C(c1ccc[nH]1)N1CCCn2nnc(COCCN3CCCC3)c2C1 96084385 ZKUQYESTDZYBGY-UHFFFAOYSA-N 358.446 1.265 0 40 FDAB COCCN1CC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 96202848 VQZUUDNABBUKOL-UHFFFAOYSA-N 356.419 1.085 0 40 FDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106870 LFYFOPLUIGWPQV-INIZCTEOSA-N 354.472 1.962 0 40 FDAB Cc1cc(CN2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)n(C)n1 248019545 HLBVJSMMVYBGAQ-HNNXBMFYSA-N 353.488 1.144 0 40 FDAB CN1CCC(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 257272872 NEERRIAPAXGRBJ-HKUYNNGSSA-N 350.434 1.898 0 40 FDAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257350426 XIMHBRWYDJFACW-RDGYCCPRSA-N 366.498 1.796 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1nccn1C)CC[C@H]2O 257314695 UYCHTFRVOOFPNA-MLHJIOFPSA-N 354.454 1.341 0 40 FDAB COCCN1CCN(C(=O)c2ccccc2-n2cc(CN(C)C)cn2)CC1 257304463 SLUCNTYOKIDREA-UHFFFAOYSA-N 371.485 1.338 0 40 FDAB Cn1cc(CCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc21 604419522 AOEBTJIBPYPUBS-UHFFFAOYSA-N 362.389 1.681 0 40 FDAB Cc1oc(C(=O)Nc2cc(C3CCOCC3)nn2C)cc1S(N)(=O)=O 628930447 VUAFVHYQQWZXPG-UHFFFAOYSA-N 368.415 1.115 0 40 FDAB C[C@]12CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@]1(C)C(=O)NC2=O 631454781 STULQJCRFDAPCL-WOJBJXKFSA-N 363.421 1.516 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1Cc1cccc(C(=O)N2CCCCC2)c1 643825738 XZFVTUVKFYDDPH-HXUWFJFHSA-N 359.470 1.779 0 40 FDAB COc1cccc([C@H](CNC(=O)N2CCC3(CC2)NC(=O)CO3)OC)c1 1615589522 ICRGCZACXYZJET-HNNXBMFYSA-N 363.414 1.031 0 40 FDAB O=c1occ(CN2CCc3ccccc3C2)c(O)c1CN1CCOCC1 79192668 HCZJGFGKHFZDJS-UHFFFAOYSA-N 356.422 1.736 0 40 FDAB biogenic O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2cccnc2)CC1 96099545 SJDZPWDPQQWVNU-UHFFFAOYSA-N 370.452 1.443 0 40 FDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)C1(c2ccc(F)cc2)CC1 390830128 IXECSEDCALTCDV-HNNXBMFYSA-N 366.400 1.690 0 40 FDAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)cs1 575403276 HMAFNRMGSUEKDO-CQSZACIVSA-N 360.439 1.832 0 40 FDAB CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2CCOCC2)cc1 95950357 HWTJSARXBPWNPC-UHFFFAOYSA-N 370.427 1.164 0 40 FDAB O=C1OC[C@@H](COC(=O)c2cccc(C(=O)OC[C@@H]3COC(=O)O3)c2)O1 149240479 SFRGFIRELCGFHG-VXGBXAGGSA-N 366.278 1.071 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccc(Br)cc1 5083078 NOIHYLYBOIBDJA-UHFFFAOYSA-N 362.187 1.338 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CCn3ccnc3)nc12 12143622 UIPFVECFKDGMRE-UHFFFAOYSA-N 364.409 1.361 0 40 FDAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 12219453 DKQDMXQEVLFVEE-HIFRSBDPSA-N 366.439 1.089 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCOC)ccc1OC 13581327 VYBFKTOLKXMODR-UHFFFAOYSA-N 358.460 1.492 0 40 FDAB COc1cccc(-c2nc(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cs2)c1 13727340 AUYIGWQSBDSPMK-LBPRGKRZSA-N 364.448 1.788 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NCc1ccco1 19374590 CITMSAUIPXFNMZ-UHFFFAOYSA-N 370.405 1.980 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526779 ZZJUGYVSAAZSHH-MMMWYMCRSA-N 360.410 1.282 0 40 FDAB CC[C@@H](CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)nc1 19719355 YBOIIQVXTFEXDK-KRWDZBQOSA-N 372.473 1.460 0 40 FDAB C[C@H](CN1CCCCC1)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 19749613 SWMVOJNOMVEQFZ-OAHLLOKOSA-N 370.457 1.521 0 40 FDAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cnccn2)cnn1-c1ccccc1 19374447 JGBRYRSLFPJZJS-MRXNPFEDSA-N 362.393 1.732 0 40 FDAB O=C([C@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCOCC1 1888850276 IHAOVBUBNNAZOJ-GFCCVEGCSA-N 374.210 1.047 0 40 FDAB Cc1nc(C)c(F)c(OCC2CCN(c3ccc4nncn4n3)CC2)n1 1888890841 CBFIKEFIRDUMOH-UHFFFAOYSA-N 357.393 1.966 0 40 FDAB CCN=c1nc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)cc(C)[nH]1 1889104457 FDCRTGHWPIBABE-UHFFFAOYSA-N 353.474 1.941 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N[C@H](Cn1nccn1)c1ccccc1 240104263 UNTPQERCNFCDEZ-OAHLLOKOSA-N 353.382 1.157 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238810111 ACGWSZZIOZFEDN-OKILXGFUSA-N 368.389 1.249 0 40 FDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCOC)c2ccccc21 3007568 YFZSZJDMWFVEOG-UHFFFAOYSA-N 359.426 1.455 0 40 FDAB c1ccc(-c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)nc1 1775974983 ZZMZHHNEGNDUDT-UHFFFAOYSA-N 359.397 1.303 0 40 FDAB COc1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cn1 575608948 HVIFWXIURDJCHA-UHFFFAOYSA-N 351.370 1.141 0 40 FDAB O=S(=O)(N1CCCCCC1)N1CCN(CCc2ccccc2)CC1 40039001 ZVLLDZRCYMTOPO-UHFFFAOYSA-N 351.516 1.968 0 40 FDAB Cc1cccn2c(=O)cc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)nc12 31634756 NQLJAFKMWOHNCR-OAQYLSRUSA-N 374.400 1.896 0 40 FDAB CCOC(=O)c1nc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cs1 52395090 YOUJQXQZPXMBDE-LBPRGKRZSA-N 366.487 1.105 0 40 FDAB COC(=O)CCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157946 SPYJSKIQMYRHCV-MRXNPFEDSA-N 364.442 1.909 0 40 FDAB COc1ccc(C(=O)CN2C(=O)COc3ccccc3C2=O)cc1OC 21790311 KXCFLLQJVJNGCD-UHFFFAOYSA-N 355.346 1.948 0 40 FDAB O=C(NCCNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 33165417 CARRUGWNLSKGAU-QGZVFWFLSA-N 355.369 1.865 0 40 FDAB O=C(c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c[nH]1)N1CCCC1 103060132 SCPZCRPECYDKGW-UHFFFAOYSA-N 361.427 1.719 0 40 FDAB C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)n1c(=O)[nH]c2ccccc2c1=O 53087101 ZFURUPSNHXVYKA-LBPRGKRZSA-N 373.434 1.549 0 40 FDAB CCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 811784 NFNKPAPOGVWQQQ-UHFFFAOYSA-N 356.444 1.241 0 40 FDAB CCN(CC)[C@H]1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 78575143 XPEUYEQWPYVHDH-HNNXBMFYSA-N 352.504 1.690 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCC[C@@H]1CO)C2=O 79096757 HJTNHTVZXDKUOS-NTXUUIFSSA-N 351.447 1.154 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)c2ccccc2Cn2cncn2)c1 79542789 WUTHQNUUVDEFKZ-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB CCOc1cc(C(=O)OCC(=O)NC(=O)NC)ccc1OCC(C)C 3416331 OENUDTTXJNCUCX-UHFFFAOYSA-N 352.387 1.733 0 40 FDAB O=C(O)c1ccc(F)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 8030025 IGBKIFAMPXDHJG-UHFFFAOYSA-N 353.327 1.731 0 40 FDAB Cn1nnnc1SCCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 56280123 QCVORAGSNVOEFQ-UHFFFAOYSA-N 374.470 1.113 0 40 FDAB O=C1CN(Cc2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 55408441 QLUNGTBPJNIRTO-ZWKOTPCHSA-N 374.437 1.840 0 40 FDAB Nc1nc(Cl)cc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1 24056713 QYQLLOZGRDTPIL-UHFFFAOYSA-N 352.870 1.237 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)C[C@@H](C)CC3 2239065 TXPSLAVGQZPNHE-IUCAKERBSA-N 359.455 1.883 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccccn3)CC2)c2c(n1)c(C)nn2C 28557493 ACKYYMFQXXVIPS-UHFFFAOYSA-N 351.414 1.338 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC(=O)CC3)c2)C1 3333380 QDYXTBJFWVCVDY-CQSZACIVSA-N 364.467 1.912 0 40 FDAB O=C(CCNC(=O)c1cnccn1)O[C@H](C(=O)NC1CC1)c1ccccc1 48300236 LSKMYMLRBSRXKD-KRWDZBQOSA-N 368.393 1.160 0 40 FDAB CCOC(=O)C1=C(COC(=O)COc2ccccc2C)NC(=O)N[C@@H]1C 12870418 NMSALUSWIYRESW-GFCCVEGCSA-N 362.382 1.436 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408615645 BSIAHFCHWKLGOD-SECBINFHSA-N 369.270 1.911 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 8768157 AFPZXSYOLVZOCF-UHFFFAOYSA-N 358.398 1.616 0 40 FDAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 13017314 KIOUSXMIZVYOBY-UHFFFAOYSA-N 373.434 1.368 0 40 FDAB CCCc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 8923436 GTUJXYWONLEGSS-UHFFFAOYSA-N 366.215 1.890 0 40 FDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 5069383 FKNIGOZBGRIHDF-HNNXBMFYSA-N 364.745 1.567 0 40 FDAB Cc1c(C(=O)O[C@H](C)C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCC3 5246829 JWGBHQLAXOCJJW-SECBINFHSA-N 361.423 1.537 0 40 FDAB CCCN1C(=O)C(=O)N(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O 14244842 FWTQKRHEEXHQCJ-AWEZNQCLSA-N 372.425 1.495 0 40 FDAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCCn1ccnc1)cn2C 22237394 UJQDGNRNHCOMBQ-UHFFFAOYSA-N 354.410 1.954 0 40 FDAB COc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 7396543 XXNOVGVTRUFSIE-LLVKDONJSA-N 373.361 1.991 0 40 FDAB Cc1cccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c1 7530281 IPXGUYVAKFWIBL-UHFFFAOYSA-N 357.443 1.834 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc(F)cc1Cl)NS(C)(=O)=O 68940819 LBFGFIRTZPZXMP-UHFFFAOYSA-N 358.844 1.085 0 40 FDAB CCNC(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8429372 NMBCXTINNNCUPQ-UHFFFAOYSA-N 373.457 1.749 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1 17334644 XUGFNCDEGZFXST-ZDUSSCGKSA-N 357.435 1.772 0 40 FDAB Cn1cc(CN(CCS(=O)(=O)N2CCCCC2)C(=O)C(C)(C)C)cn1 9575318 SQXQFKHIQPLEBI-UHFFFAOYSA-N 370.519 1.611 0 40 FDAB Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCNC(=O)C3)cc2oc1=O 9577569 VXDHAYVANSLCQX-UHFFFAOYSA-N 364.785 1.400 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNc1nn(C)cc1C(N)=O 95460347 CMUZQBAOCFCPOG-UHFFFAOYSA-N 366.219 1.641 0 40 FDAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(C)=O)C[C@@H]2C3)cc1 306143460 YCSXIRQREOHZDP-STQMWFEESA-N 355.398 1.190 0 40 FDAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1 24970375 GSOVXFVRBBNQSP-UKRRQHHQSA-N 364.423 1.387 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1CN(Cc2nccs2)Cc2ccnn21 306137186 QOCDGTHLJROANT-MRXNPFEDSA-N 368.466 1.950 0 40 FDAB C[C@@H](O)CNS(=O)(=O)c1cc(Br)ccc1Br 35119227 MURWYPOXWYKQHF-ZCFIWIBFSA-N 373.066 1.871 0 40 FDAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1cccs1 36646197 XHUXOVNSTHHLMY-UHFFFAOYSA-N 351.391 1.981 0 40 FDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980230 QHNZEKQYNQUFFL-AWEZNQCLSA-N 354.353 1.702 0 40 FDAB Cn1ccnc1CN(C(=O)CCOCC(F)F)[C@@H]1CC12CCNCC2 568632842 JDCITAXDWAPYBU-CYBMUJFWSA-N 356.417 1.563 0 40 FDAB CCN(CC(=O)N(C)C)C(=O)COc1ccc(F)cc1Br 40092570 FIZVIENMNDHCJO-UHFFFAOYSA-N 361.211 1.904 0 40 FDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 225519152 NEKBXDAVKVZSCE-SZVRAQGESA-N 374.428 1.062 0 40 FDAB biogenic,in-vitro CCCNS(=O)(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 331132857 JTAFJQGYUBLKML-LBPRGKRZSA-N 362.293 1.862 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1 225963465 YXNAKNRNKKTGLD-UHFFFAOYSA-N 371.459 1.320 0 40 FDAB O=C1CN(C(=O)NCc2ccc(OC(F)F)cn2)[C@H]2CCCC[C@H]2N1 332124272 GPJFIUFMOSAZGL-OLZOCXBDSA-N 354.357 1.636 0 40 FDAB O=C(NCCc1cccs1)[C@]12COC[C@H]1CN(Cc1ccccn1)C2 96110086 JGAYFPDHORDZSS-DNVCBOLYSA-N 357.479 1.950 0 40 FDAB CCOCc1ncn2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 96260168 ITJWUEUKIQVZII-UHFFFAOYSA-N 351.428 1.633 0 40 FDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1 96043283 UZTLFOYTNQDYLO-MAZHCROVSA-N 357.389 1.942 0 40 FDAB CN(C)CC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 96239655 PZQWZEMRTZDIQG-INIZCTEOSA-N 356.392 1.846 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048986 HZHCEVYWUKFIKD-UHFFFAOYSA-N 359.455 1.440 0 40 FDAB CC(=O)NCC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244372 YOQJOIKRVKBXKR-HXUWFJFHSA-N 366.421 1.280 0 40 FDAB C[C@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)C(=O)O 238901072 KTKRUZAQJABZJT-AVGNSLFASA-N 360.414 1.370 0 40 FDAB O=C(Cc1ccccc1)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1 96228435 KVRVTTWGKIJMCQ-PZJWPPBQSA-N 358.482 1.959 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn21 248034059 ITZKCIKGOCJEAI-ZDUSSCGKSA-N 352.398 1.103 0 40 FDAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCOCc2csc(C)n2)C1 248016073 HQCUASJBIMHMMX-HNNXBMFYSA-N 370.500 1.961 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccc4[nH]ccc34)C2)OC1 247509321 HYQMSQBFCWASNP-AWEZNQCLSA-N 363.483 1.698 0 40 FDAB Cc1oc2c(c1C(=O)NC[C@@]1(O)CCN(c3ncccn3)C1)CCCC2 257246780 IVUYLKXNAPKYRE-IBGZPJMESA-N 356.426 1.628 0 40 FDAB Cc1n[nH]c(C)c1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1 257223408 DXGFLVMLDACEOJ-UHFFFAOYSA-N 364.475 1.469 0 40 FDAB CCCNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccc(OC)c(OC)c1 257320213 VVUVUDFDOGMJBK-KDOFPFPSSA-N 364.442 1.766 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C(C)C 257306189 STFPDNLWJUFEGJ-GOSISDBHSA-N 358.486 1.568 0 40 FDAB OCCOc1cccc(CN2CCOC[C@@H](Cc3cc(O)ncn3)C2)c1 257314487 UXFHVLIFRAIBMO-INIZCTEOSA-N 359.426 1.244 0 40 FDAB C[C@H](NC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1nncn1C 267316767 DIOZNCMCFGQEPJ-NSHDSACASA-N 350.373 1.686 0 40 FDAB CCn1cc(CN2CCCN(C(=O)c3cnn4cccnc34)CC2)cn1 264690859 SWTQZYSPGNWRJU-UHFFFAOYSA-N 353.430 1.294 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn2ccccc12 656857755 REASURBUORUWHP-SUMWQHHRSA-N 352.398 1.300 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccno3)C2)cc1 680510052 FVANLALZSVMVOA-AWEZNQCLSA-N 363.439 1.700 0 40 FDAB CCC[C@H](C)N1C[C@@H](C(=O)N2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)CC1=O 1775959360 XLPDFQMGDFHKNT-CYUUQNCZSA-N 364.446 1.704 0 40 FDAB Cn1ccnc1CN(C(=O)NCCC1(CN)CC1)[C@@H]1CC12CCNCC2 1775960293 DHAGTBQHUCXFNC-OAHLLOKOSA-N 360.506 1.203 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ccc(C(=O)N(C)C)cn2)C1 1775956973 JKBVLBRPDIZSEK-DOTOQJQBSA-N 356.426 1.851 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)[C@@H]1COc2cc(F)ccc2C1 1615545544 ANYXCODFBZZZOL-ZDUSSCGKSA-N 360.389 1.200 0 40 FDAB Cc1noc(C2(C)CCN(C(=O)CCn3cnc4c(N)ncnc43)CC2)n1 613374384 FGRPDMOEUQCGSL-UHFFFAOYSA-N 370.417 1.070 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(n1)OCCO2 618080817 ZFZRTIQHPHDZFC-UHFFFAOYSA-N 355.398 1.009 0 40 FDAB C[C@@H](C(=O)OCC(=O)OCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 725421447 APGGNJLOKYOUBN-DOMZBBRYSA-N 362.378 1.873 0 40 FDAB Cn1nc(-c2ccco2)cc1C(=O)NCCn1nc2c(cc1=O)CCC2 575605919 BCVVJYOWBALDSI-UHFFFAOYSA-N 353.382 1.156 0 40 FDAB OC1(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCCC1 585281827 BQEXMLZINOPQLY-SFHVURJKSA-N 357.397 1.712 0 40 FDAB Cc1snnc1C(=O)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107854 UFYFOVFPTXMQOK-KBPBESRZSA-N 357.439 1.362 0 40 FDAB O=C(Cc1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585103794 JXUKSLJADWYJOE-OALUTQOASA-N 374.481 1.399 0 40 FDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCCC1(F)F 673162623 LDVAKULPTNJEBW-PWSUYJOCSA-N 356.373 1.557 0 40 FDAB Cn1cc(CC(=O)N2CCN(c3cc(O)nc(O)n3)CC2)c2ccccc21 1775968294 XQFIAELDPJIXKM-UHFFFAOYSA-N 367.409 1.271 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCCN3CCCCCC3)c(=O)[nH]c2c1 12920609 WMBWYWKXPNARAI-UHFFFAOYSA-N 359.426 1.743 0 40 FDAB CC[C@H](CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)nc1 19719356 YBOIIQVXTFEXDK-QGZVFWFLSA-N 372.473 1.460 0 40 FDAB COc1cc(N[C@@H]2CCCN(c3ncnc4c3nnn4C)C2)cc(OC)c1 663716126 LHTZKKBQVHDQAX-GFCCVEGCSA-N 369.429 1.856 0 40 FDAB COCC1(C2CCC2)CN(C(=O)NCCC2CCS(=O)(=O)CC2)C1 664563594 NGJIIWFIMLLNFN-UHFFFAOYSA-N 358.504 1.659 0 40 FDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1=O)SCC2 16837340 CPSJATUSVZXTIF-JTQLQIEISA-N 355.485 1.299 0 40 FDAB O=C([C@H]1OCCc2ccccc21)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888856899 VWIRFBBCPLOWBA-JZXOWHBKSA-N 350.422 1.685 0 40 FDAB O=C([C@@H]1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCOCC1 1889136328 OERILXRTQDRLMU-AWEZNQCLSA-N 351.790 1.545 0 40 FDAB CN1CC[C@H](N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)C1=O 1848590198 BXLDSXFVGLRVMH-KRWDZBQOSA-N 358.417 1.478 0 40 FDAB Cc1nnc(CN2CC[C@H](Oc3ccncc3Br)C2)n1C 1849312267 XTLVIZPEGWVCAK-NSHDSACASA-N 352.236 1.934 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3cc(C)on3)CC2)C[C@]1(C)CO 2037823853 CLNJXMPFAFATJL-QGZVFWFLSA-N 351.447 1.195 0 40 FDAB CC1CC(C(=O)N2CCOC[C@@]3(CC[C@H](Cn4ncccc4=O)O3)C2)C1 1614934882 SFYRIHMMFUAPSP-YBSITQRDSA-N 361.442 1.066 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCn2c(CNc3cccnc3)nnc2C1 1565554303 NUDASOSJJWYPHL-UHFFFAOYSA-N 351.414 1.588 0 40 FDAB O=C1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccccc1 4497708 ORMUCZOZSSCNSV-ZDUSSCGKSA-N 374.418 1.542 0 40 FDAB COc1ccc([C@@H]2CCCCN(C(=O)CN(C)S(C)(=O)=O)C2)cc1 206883359 VBLWPFMNDQADTA-OAHLLOKOSA-N 354.472 1.683 0 40 FDAB O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 206978408 WCGVRYZADOZZSH-ZETCQYMHSA-N 366.873 1.860 0 40 FDAB COCC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 19592775 LGLVNRVUTDTNBZ-LBPRGKRZSA-N 360.389 1.661 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 40268360 UJIMRSREXWYXGP-UHFFFAOYSA-N 362.389 1.906 0 40 FDAB CCOc1ncccc1CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 31325865 UEPOKDOPDFXVBE-INIZCTEOSA-N 367.409 1.217 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 20491485 ZFPCTTZBKFAVRE-UHFFFAOYSA-N 364.379 1.836 0 40 FDAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc3nncn3n2)CC1 20715402 LNSJXCNMHUMZOF-UHFFFAOYSA-N 362.397 1.278 0 40 FDAB Cc1ccccc1N1CCN(Cn2nnn(-c3cccs3)c2=O)CC1 52569738 FMAURMLUBOSSOG-UHFFFAOYSA-N 356.455 1.579 0 40 FDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cccnc1=O 32992181 UKZGUMUUUOUGQZ-UHFFFAOYSA-N 373.800 1.182 0 40 FDAB C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(S(C)(=O)=O)cc1 32900162 VSUOEARVLXXGNA-GFCCVEGCSA-N 371.418 1.589 0 40 FDAB Cn1cc([C@H]2CN(S(=O)(=O)Cc3noc4ccccc34)CCO2)cn1 97137555 FVKBZBJBWMNKJD-MRXNPFEDSA-N 362.411 1.465 0 40 FDAB CCOC(=O)C(Cc1c[nH]c2cc(N)ccc12)(NC(C)=O)C(=O)OCC 1695866 KQSBUOXAKLOFBV-UHFFFAOYSA-N 361.398 1.294 0 40 FDAB O=c1cc2c(nn1CN1CCn3c(nnc3C(F)(F)F)C1)CCCCC2 79495280 UHOBCKCJEXQHLE-UHFFFAOYSA-N 368.363 1.596 0 40 FDAB CC(=O)O[C@@H]1CO[C@@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4028462 WTYBDFZBSGLOIG-TVFCKZIOSA-N 366.366 1.525 0 40 FDAB biogenic O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(Cl)cc1F 22934322 QAISJUCXGGIIAE-UHFFFAOYSA-N 368.840 1.314 0 40 FDAB O=C(O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 4501577 IQGHPUPMOUUHPP-HNNXBMFYSA-N 363.391 1.950 0 40 FDAB in-vivo CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 6817843 HFVABPHJAIFMDQ-UHFFFAOYSA-N 370.456 1.830 0 40 FDAB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6961018 WJDAQOPYUGHLBT-GHXNOFRVSA-N 361.354 1.129 0 40 FDAB CN1CCN(Cc2ccc(CNC(=O)NC[C@@H]3CCCOC3)cc2)CC1 57161624 LLUTYQUVIHIYPK-IBGZPJMESA-N 360.502 1.660 0 40 FDAB Cc1nccn1-c1ccc(NC(=O)c2nc(Br)cnc2N)cn1 72301592 XXBCAHZJYNYOIK-UHFFFAOYSA-N 374.202 1.963 0 40 FDAB C/C=C/c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(OC)c1OC 24960890 RCEGTJDXHHKKRQ-SNAWJCMRSA-N 373.409 1.551 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2ccccc2C(F)(F)F)CCOCC1 48009708 XCLHGHJVYUKPOQ-UHFFFAOYSA-N 366.361 1.266 0 40 FDAB CCOc1ccc(S(=O)(=O)NNC(=S)NC(=O)C2CCCC2)cc1 3260876 XRVMRAVEAPEXHM-UHFFFAOYSA-N 371.484 1.460 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(F)cc(Cl)c2O)C1 84335058 AUDBUBKKNNHMHP-QMMMGPOBSA-N 358.753 1.065 0 40 FDAB C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 102948739 SOPHJADXFALVLH-NUYAQTNMSA-N 354.487 1.057 0 40 FDAB O=C(Nc1ccccc1)c1cccc(CS(=O)(=O)CCOCCO)c1 58161733 FTIZRVPRSISRBP-UHFFFAOYSA-N 363.435 1.863 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 58198491 APFJTSXKUMLBBG-KRWDZBQOSA-N 358.419 1.751 0 40 FDAB O=C(CN1C(=O)CSc2ccccc21)N1CCN(c2nccs2)CC1 10270170 QTMJKCCCXVKIGC-UHFFFAOYSA-N 374.491 1.931 0 40 FDAB C[C@H](NC(=O)c1cnn[nH]1)c1cc2c(cc1Br)OCCO2 58218280 DBWAGQXTDDDNDK-ZETCQYMHSA-N 353.176 1.829 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccc(OC)c1 101646454 JHKZXOLSVSSHII-YRBFXIGRSA-N 350.367 1.081 0 40 FDAB C[C@@H](C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 28540265 ZJFWRZKHRKYVMI-PBHICJAKSA-N 354.406 1.751 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 11905134 YCXRZLCEYWSLDI-UHFFFAOYSA-N 367.409 1.209 0 40 FDAB O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCCCC1 12029254 AROUJHGKXQJSND-OAHLLOKOSA-N 371.480 1.274 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3451006 COYSQEKEPGGBEQ-DOMZBBRYSA-N 358.394 1.521 0 40 FDAB NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433808 QZCYJKDJKXOXTC-UHFFFAOYSA-N 374.418 1.076 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2CC(N)=O)c1 12976693 QJDOJDCWMFIBPG-UHFFFAOYSA-N 373.482 1.890 0 40 FDAB O=C(O)c1ccc(-n2ncc(N3CCC[C@@H](CO)C3)c(Cl)c2=O)cc1 13277162 JIWRJBJUSMZIRM-LLVKDONJSA-N 363.801 1.793 0 40 FDAB CC(C)(C)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 5263803 UPJLOZGLOWWRHL-UHFFFAOYSA-N 368.455 1.564 0 40 FDAB C[C@H](O)c1ccc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 65536931 XFXWOYPVDHQXOF-SCLBCKFNSA-N 366.421 1.476 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(CN2CCCC2)cc1 14241030 XRGCACYYRJXJNI-UHFFFAOYSA-N 370.497 1.775 0 40 FDAB O=C(N[C@@H](CO)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1 6646027 TXQASCQFRLGMLP-UWSDUSPXSA-N 359.357 1.563 0 40 FDAB O=C(COC(=O)COc1ccc2c(c1)CCC2)NC(=O)NCC(F)(F)F 7258686 PMOQPKUKRXAVPT-UHFFFAOYSA-N 374.315 1.485 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 19842843 PEWCIAFZWNJWQZ-UHFFFAOYSA-N 361.471 1.687 0 40 FDAB NC(=O)Cc1ccc(C(=O)CSc2nnnn2C2CCCC2)s1 8326096 SYAGMJNCDOGYKC-UHFFFAOYSA-N 351.457 1.853 0 40 FDAB C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 69950967 IDODLGNLJBBTCH-ZBFHGGJFSA-N 363.483 1.039 0 40 FDAB COCCCNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 8718137 HFNDAXCXNDZGLM-UHFFFAOYSA-N 353.378 1.445 0 40 FDAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC(C)C)cc1 409391931 PGWMSTCDPIWCIP-UHFFFAOYSA-N 356.488 1.849 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)n1 306131835 KQQDPLOUPSKNEZ-OAHLLOKOSA-N 372.425 1.235 0 40 FDAB CCCCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704504 OPRMQNWUWUJGCZ-ZDUSSCGKSA-N 370.471 1.919 0 40 FDAB O=C(c1cnc2c(c1)c(O)nc(=O)n2C1CC1)N1CCOC2(CCC2)C1 556721036 WKYNNRJYSNWBAG-UHFFFAOYSA-N 356.382 1.227 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3ccnc4c3ncn4C)cn2)CC1 521090048 NBVZOCSIEVJSAK-UHFFFAOYSA-N 351.414 1.367 0 40 FDAB Cc1cc(N2CCn3cc(C(=O)NC4CC4)nc3[C@@H]2C)n2ncnc2n1 306142597 XEBUQNJPXZQIIZ-NSHDSACASA-N 352.402 1.103 0 40 FDAB COc1ccc(-c2c3c(=O)n(NC(C)=O)ccc3nc3ncnn23)cc1 32092933 WLBXWCCQWQFSOH-UHFFFAOYSA-N 350.338 1.205 0 40 FDAB Cc1n[nH]cc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 72346973 DMDIHVMYYRYDOW-UHFFFAOYSA-N 356.430 1.236 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)N(C)Cc3nonc3C)cc21 72345814 ACHOPZCSDHSURN-HNNXBMFYSA-N 364.427 1.322 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)ncc1C(=O)N1CCCCC1 72345574 KELBNIQHIBQRLN-INIZCTEOSA-N 373.501 1.679 0 40 FDAB CN(C)C(=O)c1ccnc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 562709989 XNDYDVORXQCAFD-UHFFFAOYSA-N 358.442 1.761 0 40 FDAB CN1CCC(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)CC1 219730398 MYYXAEGOPOPDEN-UHFFFAOYSA-N 353.488 1.298 0 40 FDAB CCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2O3)c(C)n1 72347568 ZMRJTRWWQIFZPY-LJQANCHMSA-N 354.410 1.966 0 40 FDAB COc1cc(OC)cc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 564715836 MESQIYZENAKZFV-CVEARBPZSA-N 353.440 1.893 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 224360415 NELITGAKFHTOMG-AWEZNQCLSA-N 371.441 1.785 0 40 FDAB CN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225477051 WPRZPKIIHMGOKG-UHFFFAOYSA-N 373.526 1.774 0 40 FDAB biogenic,in-vitro COc1cccc(CN[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)c1 225502359 PHFFPTGBCPYQJR-QOJCHSLYSA-N 358.438 1.678 0 40 FDAB biogenic,in-vitro CCN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3OC)C[C@@H]2C1 96107963 WLFGJECTFDTRAP-GOEBONIOSA-N 354.472 1.345 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106946 AVVMTUVTTYNBCX-MRXNPFEDSA-N 354.410 1.852 0 40 FDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108779 XCLKIJOCKIBAPC-RHSMWYFYSA-N 352.456 1.675 0 40 FDAB CN(C)C(=O)N1C[C@H]2CN(S(C)(=O)=O)CC[C@]2(c2ccccc2)C1 96090898 MRVNPJNWUWOHIC-DOTOQJQBSA-N 351.472 1.203 0 40 FDAB CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)NC[C@H]2CCCO2)CC1 583615847 DBPUCWISIXLEFT-JKSUJKDBSA-N 373.519 1.544 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231642492 KNQLHHBPRIXNKV-NLDJYOPPSA-N 374.437 1.760 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccccn2)C[C@]2(CC(=O)N(C)C2)C1 97952765 IXEYVGKSNJNTKK-LJQANCHMSA-N 359.474 1.166 0 40 FDAB Cc1nn(C)c(N)c1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 585080912 OXSYELVHGKFXNB-GFCCVEGCSA-N 374.464 1.693 0 40 FDAB O=C(NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)C1CC1 247459472 AIGVJFMZDCJQNK-INIZCTEOSA-N 354.410 1.695 0 40 FDAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1)c1ccco1 247521609 XSAFYYUVLQNHMH-OAHLLOKOSA-N 358.442 1.907 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257257844 KRHPCMAGNMLOJU-QGZVFWFLSA-N 358.446 1.464 0 40 FDAB O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257297832 RIYLUZORKBJIBU-HOTGVXAUSA-N 356.825 1.777 0 40 FDAB Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccn(C(C)C)n2)C1 257256191 KKKLNQDXHYFDAQ-GOSISDBHSA-N 374.445 1.714 0 40 FDAB CN(C)S(=O)(=O)N1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 257241499 HYGJBRQFZTXYDF-PMPSAXMXSA-N 369.462 1.806 0 40 FDAB O=C(NCCn1cnc2sccc2c1=O)c1cc2cccnc2nc1O 253537707 NKOAIISIDGNTLG-UHFFFAOYSA-N 367.390 1.537 0 40 FDAB CCOCCOc1ccc(CN2CCC[C@]2(C)C(=O)NCCO)cc1 257259552 KYWXDGWAYDJPQR-LJQANCHMSA-N 350.459 1.565 0 40 FDAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)COC)CCO3)n2)s1 257262149 LKHRUDADTFAIDQ-GFCCVEGCSA-N 363.443 1.785 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)O)cc1 264631677 VGAGJEBJIHNSBO-AWEZNQCLSA-N 350.396 1.506 0 40 FDAB C[C@@H](c1ccncn1)N(C)C(=O)c1ccccc1N1CCC(=O)NC1=O 55369515 ISMOEYUSFVVTLS-LBPRGKRZSA-N 353.382 1.756 0 40 FDAB Cn1cccc1[C@H]1CCCCN1C(=O)Cn1nnc2ccccc2c1=O 673721767 WUMQOKFRNDIAKH-QGZVFWFLSA-N 351.410 1.884 0 40 FDAB O=S(=O)(CCOC1CCOCC1)N1C[C@@H](O)[C@H](Cc2ccccc2)C1 1214008746 OLNNUPCGLXQDQG-SJLPKXTDSA-N 369.483 1.047 0 40 FDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(C(=O)c1cnc3ccccn13)C2 575406695 ZXKLMDDGVGLEMH-ZDUSSCGKSA-N 374.466 1.139 0 40 FDAB O=C(O)c1cn([C@@H]2CCN(c3ccnc(Cc4ccccc4)n3)C2)nn1 576977220 JCRISJGPVLQWHB-CQSZACIVSA-N 350.382 1.809 0 40 FDAB Cc1ccccc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]2C1 585109449 PTYACSSMSSHQMQ-JENIJYKNSA-N 371.481 1.389 0 40 FDAB CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O)s1 585090211 MUCMCXQDVATKIB-UHFFFAOYSA-N 355.397 1.909 0 40 FDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NC(=O)Nc2cccc(F)c2)[C@H]2CO[C@@H]1O2 952845000 YAPAXMFPVGUQLG-DGXTUMSLSA-N 362.361 1.178 0 40 FDAB biogenic,in-vitro CC(C)Cn1nc(C(=O)NCCNC(=O)C2CC2)c2ccccc2c1=O 43944818 KYJJNKJCTBRZJS-UHFFFAOYSA-N 356.426 1.309 0 40 FDAB Cc1[nH]c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 53679729 NDFLBODXDXVVKS-MRXNPFEDSA-N 356.444 1.504 0 40 FDAB OC[C@@H](O)[C@H]1O[C@@H](c2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]21 87492658 FMZUHGYZWYNSOA-FZWBFHRNSA-N 358.390 1.937 0 40 FDAB in-vitro CC(C)c1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)nn2cnnc12 19716269 CFYOOIVOLSQJHD-MRXNPFEDSA-N 360.462 1.334 0 40 FDAB CCO[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 612030731 QTBAAMLFKVERJP-TZMCWYRMSA-N 372.874 1.598 0 40 FDAB Cc1ccc(CN2C[C@H](C(=O)NCc3c(C)cc(C)[nH]c3=O)CC2=O)cc1 10457199 IELBGUYMNREERS-QGZVFWFLSA-N 367.449 1.965 0 40 FDAB Cc1cccn2cc(Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)nc12 10643770 PYZWHCYOUGLABG-UHFFFAOYSA-N 350.300 1.970 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13278499 OVVJJGAKQBARKD-UHFFFAOYSA-N 361.375 1.923 0 40 FDAB FC(F)(F)c1nnc2ccc(OC[C@H]3CCN(c4ncccn4)C3)nn12 1888875979 ZKKSGCZWEBPXMJ-JTQLQIEISA-N 365.319 1.838 0 40 FDAB O=S(=O)(NCC1(O)CSCCSC1)c1cc(F)cc(F)c1 1888876482 XPSPHYBYQLPNBB-UHFFFAOYSA-N 355.453 1.454 0 40 FDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)c1ccc(O)nc1 240122677 WGPJDQYSWRIYGD-UHFFFAOYSA-N 352.379 1.883 0 40 FDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 24685689 JGMMTQJLEHZGJN-GFCCVEGCSA-N 361.261 1.738 0 40 FDAB Cn1ccc(=NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)[nH]1 2037915950 DKBNGSBKCITHST-LJQANCHMSA-N 358.442 1.077 0 40 FDAB CS(=O)(=O)CCN1C[C@@]2(CCCN(Cc3cccc(F)c3)C2)C1=O 1565541634 JVEGZAPCLBEFEY-KRWDZBQOSA-N 354.447 1.295 0 40 FDAB COc1ccccc1OCC(=O)OCn1c(SC)nnc(C)c1=O 4495812 QPZJGFKJYXJVLI-UHFFFAOYSA-N 351.384 1.257 0 40 FDAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941072 ZMEWPTLWZZXQOI-JSGCOSHPSA-N 368.455 1.643 0 40 FDAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccnc1 9573876 QRRIUQPMFXPLPR-UHFFFAOYSA-N 356.407 1.284 0 40 FDAB CCn1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3CNC(=O)c2cnccn2)cn1 2055725623 NNMPXYILNZZNCH-BPQIPLTHSA-N 370.457 1.102 0 40 FDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cn1 2055730249 PUGKVUSFEVZSAI-HNNXBMFYSA-N 356.426 1.498 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771785 YDLUFFUQEUXWDO-LJQANCHMSA-N 360.458 1.154 0 40 FDAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 20204127 MZPNBKFVGRQJDX-ZDUSSCGKSA-N 366.439 1.689 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)CC1 51364403 JMPRRFBIFAELQY-INIZCTEOSA-N 365.433 1.930 0 40 FDAB CS(=O)(=O)c1ccc(NCCc2ccccn2)c(S(C)(=O)=O)c1 32855943 WUNLXSJGNGGGLI-UHFFFAOYSA-N 354.453 1.543 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 946535 SYRPPKBGHHVDAO-GBIKHYSHSA-N 366.336 1.775 0 40 FDAB C[C@@H]1Cc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2S1 4107729 OJTPTZIYDDHXRA-SECBINFHSA-N 351.453 1.819 0 40 FDAB NC(=O)N[C@@H](CC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccs1 54016613 CJXJTWYGUKYGJE-STQMWFEESA-N 374.470 1.423 0 40 FDAB Cc1c(C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)cnn1C 100119270 FMFDEFHZOBGNDR-KBPBESRZSA-N 363.421 1.668 0 40 FDAB CC(C)(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCOCC1 25049963 FDKBVGZUPJRDBO-UHFFFAOYSA-N 353.850 1.297 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(OC)c1 101646456 JHKZXOLSVSSHII-ZXFNITATSA-N 350.367 1.081 0 40 FDAB CCCNC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520316 QTFRMZUUQSFUDR-UHFFFAOYSA-N 360.443 1.173 0 40 FDAB CCN1C[C@H](C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1=O 58209182 KGIATLPTWLFYOK-QWHCGFSZSA-N 351.397 1.776 0 40 FDAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207326 NMNXUYHERLQMKN-UHFFFAOYSA-N 358.460 1.247 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C(N)=O)C1 12696282 GHRLWOPMFOCZIO-LSDHHAIUSA-N 360.458 1.048 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)c1cccs1 48249242 WWXJPYXPIRXOBT-OAHLLOKOSA-N 356.451 1.877 0 40 FDAB CC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 10603049 NMEJRJPENOFPEN-GFCCVEGCSA-N 351.380 1.892 0 40 FDAB COc1cccc(OCc2nnc(SCc3ccn(C)c(=O)c3)n2N)c1 36398528 SKCATVKCBQWDKE-UHFFFAOYSA-N 373.438 1.571 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(N)=O)c1C 3331653 QYNIXCYBGGJVRF-QWHCGFSZSA-N 356.444 1.004 0 40 FDAB C[C@@H]1C[C@H](Sc2nnc(N3CCOCC3)n2Cc2ccccc2)C(=O)O1 12908681 UAPFBJDJCFBONM-HIFRSBDPSA-N 374.466 1.959 0 40 FDAB Cn1c(=O)c2cc(C(=O)N[C@H](c3ccccc3)C3CC3)cnc2n(C)c1=O 12932993 JCQRRKBZQBLLPN-MRXNPFEDSA-N 364.405 1.513 0 40 FDAB CCc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(CC)CC3)N2)cc1 19522905 UHMWGNDUWYYZCK-MRXNPFEDSA-N 357.458 1.070 0 40 FDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5054392 UEENAQUPOLUZNT-AWEZNQCLSA-N 350.718 1.258 0 40 FDAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc2c1CCC2 6225509 GDERSUYMOURPPV-UHFFFAOYSA-N 374.418 1.624 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C 14101702 GEPNYVRKDXICMD-UHFFFAOYSA-N 373.456 1.020 0 40 FDAB CCN(C(=O)CN(C)Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 14246254 FSQVSZKDAKHQMX-KRWDZBQOSA-N 352.500 1.771 0 40 FDAB Cc1noc(C)c1CCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 14804390 VKRMOUFTZVOEMT-UHFFFAOYSA-N 365.455 1.791 0 40 FDAB CC(C)(C)C(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@@H]1CCCO1 6906090 FJYJRHZAKRGXRX-QMMMGPOBSA-N 351.428 1.741 0 40 FDAB COc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1OC 4985640 ABHGMZYWJKSTMA-UHFFFAOYSA-N 357.410 1.957 0 40 FDAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2c(C)nn(C)c2C)ccc1C 7725890 HBNMUSGAIBBQOE-UHFFFAOYSA-N 372.472 1.054 0 40 FDAB CCN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1 19899222 YLAMUQXXYXMFJO-UHFFFAOYSA-N 371.445 1.106 0 40 FDAB CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 95445067 FEBPLFNWFBZQLW-VXGBXAGGSA-N 360.414 1.387 0 40 FDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(=O)n(C)n1 7979439 NTIBISNMOIEGBW-UHFFFAOYSA-N 373.800 1.333 0 40 FDAB CCOC(=O)C[C@H](C)CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 95445070 FEBPLFNWFBZQLW-RYUDHWBXSA-N 360.414 1.387 0 40 FDAB COC(=O)CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 18479065 LOUGSUACACPARM-UHFFFAOYSA-N 363.443 1.129 0 40 FDAB Cc1[nH]n2c(n/c(=N\[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c1Cl 9603122 LOFIXHQHERWVHQ-BXWLNTHASA-N 350.831 1.865 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCCCNc1ccncc1 97000360 UOKSBYAHFZYYRP-UHFFFAOYSA-N 352.398 1.195 0 40 FDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408974847 HLEUMCZWWMVNMQ-QAMTZSDWSA-N 357.362 1.059 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408597385 VECACWANULJHPT-KGLIPLIRSA-N 370.471 1.390 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 14242493 IFAMDZUQNHXUKQ-CQSZACIVSA-N 369.373 1.899 0 40 FDAB COC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2120902 ZYRPHGFOPGXKIN-APBUJDDRSA-N 371.393 1.774 0 40 FDAB biogenic CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)Nc1nccn(C)c1=O 517403559 JFDOZUBEQRNVLD-DZGCQCFKSA-N 373.461 1.061 0 40 FDAB CC[C@H](C(=O)N[C@H](C)COC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 37021598 VLGYNHXJZUCFBP-GDBMZVCRSA-N 356.488 1.999 0 40 FDAB CC(C)Cc1nnc(NC(=O)Cn2nc3c(cc2=O)CSCC3)s1 71284911 LIWFSGLIZMWZLC-UHFFFAOYSA-N 365.484 1.721 0 40 FDAB O=C1N[C@@]2(CCCN(C(=O)c3cnn4cccnc34)C2)Oc2ccccc21 72347567 OWLXJNAUOUKASB-IBGZPJMESA-N 363.377 1.484 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccccn1 71286485 UIJOBPCRUCZXMI-UHFFFAOYSA-N 371.416 1.369 0 40 FDAB CCn1nccc1/C=c1\sc2n(c1=O)[C@H]1C[C@@](C)(N=2)Oc2ccccc21 71785036 WNDIDGUEWXLWMR-FOFSCDAQSA-N 366.446 1.676 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccc(F)cc1 77264463 LWHRSXTTZJSQQJ-KURKYZTESA-N 362.376 1.613 0 40 FDAB biogenic,in-vitro COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218112012 CBBVZULXJKEVAY-LZLYRXPVSA-N 361.419 1.725 0 40 FDAB CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cc2nsc3ccccc23)C1 564321963 VPDZGXCTXLEYOC-LBPRGKRZSA-N 367.496 1.721 0 40 FDAB Cc1cccc(CO[C@@H]2[C@@H](NC(=O)c3ccoc3)CN3CCOC[C@H]23)n1 96198691 HPYVCWZQUQBXAE-RCCFBDPRSA-N 357.410 1.381 0 40 FDAB COc1cc(=O)n(CC(=O)Nc2cc(C)nn2C)nc1-c1ccccc1 96184121 HYBVTZDGHFVKPP-UHFFFAOYSA-N 353.382 1.600 0 40 FDAB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C=O)CC4)sc3nc12 96347313 JZJLSVOHRNLWTQ-UHFFFAOYSA-N 356.407 1.132 0 40 FDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(C(=O)c1cnccn1)CC2 96199983 QFCVNXNUCJPFDK-OAHLLOKOSA-N 351.410 1.492 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CC(=O)N2CCCCO2)C1 96206576 BAJGKDYXYQBGFB-PBHICJAKSA-N 351.472 1.844 0 40 FDAB CC(C)NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 96251225 VYBPOMVGZLUTGN-KXBFYZLASA-N 374.489 1.201 0 40 FDAB O=C(CO[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1)N1CCCC1 247739392 NEABVTLJRBDQDE-GOSISDBHSA-N 355.442 1.302 0 40 FDAB COC[C@@H]1CN(C)CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 248127658 MHUCUAFYTIYMQR-INIZCTEOSA-N 360.454 1.775 0 40 FDAB O=C(NC1CCC1)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247735196 KKZMOMVCCWJNNR-INIZCTEOSA-N 354.410 1.837 0 40 FDAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)N[C@H](C)Cc2ccccn2)[C@H]3C1=O 248136645 AEXXPHRACSDCGC-JMPGWDFISA-N 355.438 1.319 0 40 FDAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cnco2)(c2ccccc2)CC[C@@H]1O 257222683 DUILMUFLXWMBQU-ZWOKBUDYSA-N 371.437 1.782 0 40 FDAB Cn1cc(C(=O)N2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)cn1 257253426 JYXOFNRQZFWHMQ-QGZVFWFLSA-N 350.382 1.486 0 40 FDAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 268649856 ORVTWAFDOXDPGZ-SGTLLEGYSA-N 361.446 1.913 0 40 FDAB O=C1CN(C(=O)c2ccn(C3CCOCC3)n2)CN1Cc1ccccc1 626308608 CNNCQJCXKNCBTR-UHFFFAOYSA-N 354.410 1.677 0 40 FDAB O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)N[C@H]1CCNC1=O 633344539 XOEFPWUMBLBRHI-LBPRGKRZSA-N 354.332 1.917 0 40 FDAB Cn1cc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(=O)n(C)c1=O 640333673 RGRURNMSJFIUPC-ZFWWWQNUSA-N 372.425 1.373 0 40 FDAB COc1cc2c(cc1OC)N(C(=O)[C@@H]1CNC[C@H]1c1cn(C)cn1)CC2 1614995940 QWMRBVVCEXFNIC-ZIAGYGMSSA-N 356.426 1.330 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096541 RYWBQZGSOGVGCS-NFAWXSAZSA-N 353.426 1.767 0 40 FDAB Cc1cc(-c2cnc(CC3CCN(S(=O)(=O)N(C)C)CC3)cn2)n[nH]1 585180186 XPEPPTIPUQPPBG-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB COc1ccc(NC(=O)C(=O)NC2CCC(O)CC2)cc1OC(F)F 48648998 ISSUSCGDOFEBES-UHFFFAOYSA-N 358.341 1.655 0 40 FDAB CN1C(=O)CC[C@@H](C(=O)Nc2nc3ccc(F)cc3[nH]2)[C@H]1c1cnn(C)c1 683789699 HXUNSPWLAPLRNL-MLGOLLRUSA-N 370.388 1.984 0 40 FDAB O=C1N[C@]2(COC3(CCN(C(=O)[C@@H]4CCCO4)CC3)C2)Nc2ccccc21 12085432 UJSNMESCXDBJHA-OXJNMPFZSA-N 371.437 1.499 0 40 FDAB COc1ncc(C2(O)CCN(C(=O)c3cscn3)CC2)c(OC)n1 12142995 CLOKTYBPNCOXIF-UHFFFAOYSA-N 350.400 1.074 0 40 FDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)C[C@H](C)n1ccnc1)CC3 12221609 FPDMTXPUMUFUSZ-ZDUSSCGKSA-N 371.466 1.999 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C1CCCCC1 14198335 MUAREIVTPYGOBR-CYBMUJFWSA-N 365.499 1.876 0 40 FDAB CCN(C(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)C1CCN(C)CC1 19660331 YMPQNMXEMNXIHA-MRXNPFEDSA-N 358.442 1.444 0 40 FDAB CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 19706145 LPCQYDOMDUCSAF-HNNXBMFYSA-N 370.457 1.999 0 40 FDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)Cc1cccc2cccnc12 643586203 HOBVKDMFYBLRDI-HLIPFELVSA-N 358.438 1.384 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2cnn3c2CCCC3)s1 252485991 HGSNFSFZHUFXLC-UHFFFAOYSA-N 368.484 1.396 0 40 FDAB CN(C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCN(c2ncncc2F)C1 1888869671 KHPLIRCTWHJIDV-LLVKDONJSA-N 361.402 1.275 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)NC1CN(c2nnc(C)s2)C1 1888879074 PBYZYMOTLMNXAU-UHFFFAOYSA-N 374.875 1.676 0 40 FDAB Cc1nc(N2CCN(Cc3c(C)noc3C)CC2)cc(-n2cccn2)n1 1889141351 YRZQIFPCLVSUAA-UHFFFAOYSA-N 353.430 1.898 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238878977 OTSYNXXQALUSNF-GASCZTMLSA-N 364.405 1.198 0 40 FDAB CCOc1ccccc1CN1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037983858 IZAOCQFKMLISIX-FQEVSTJZSA-N 362.470 1.924 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)no1 2037984576 GDHNPMKCOGGMDJ-IBGZPJMESA-N 355.394 1.879 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)no1 2037984905 RCHAAVGPUHXMHP-PBHICJAKSA-N 355.394 1.877 0 40 FDAB COC1(CC(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@@H]3C2)CCC1 1565545742 NIVLVGHIHZDXIK-CVEARBPZSA-N 365.499 1.822 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3cc(C)on3)c2C)n1 16849622 IJXMFLQJEUSWTB-UHFFFAOYSA-N 356.386 1.749 0 40 FDAB O=C(Cc1ccccc1F)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734550 IQHNBWJPPBJNMZ-OAHLLOKOSA-N 373.428 1.862 0 40 FDAB O=C(NCCCN1CCOCC1)c1cc2cc(Cl)ccc2oc1=O 19620050 FGVFQDOTJHTHII-UHFFFAOYSA-N 350.802 1.899 0 40 FDAB CCN(CC)CCNC(C)=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O 22980587 DJKISOIIMXZWFX-UHFFFAOYSA-N 374.441 1.483 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2C(=O)CSC2=O)CC1 206982018 TXRUAEVYYOWFDK-UHFFFAOYSA-N 371.422 1.567 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1 43979844 QEKQDTZYMCSFHE-UHFFFAOYSA-N 353.469 1.698 0 40 FDAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N[C@@H]1CCSC1=O 49026315 KTSJUSANMNJIFF-GFCCVEGCSA-N 355.366 1.355 0 40 FDAB CCOC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 35587915 XKMCPIXIQBVONW-UHFFFAOYSA-N 363.395 1.111 0 40 FDAB CC1(C)NC(=O)N(CCCSc2nnnn2Cc2ccco2)C1=O 40089702 VNEANLLICKAJJU-UHFFFAOYSA-N 350.404 1.127 0 40 FDAB Cc1cc(CNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)on1 50612805 MSDGVQOKKCQZGR-LSDHHAIUSA-N 363.414 1.581 0 40 FDAB COC(=O)c1c(SCC(=O)NCc2ccc(F)cc2)nc(=O)[nH]c1C 31618233 QCEKXXUDDVTMND-UHFFFAOYSA-N 365.386 1.413 0 40 FDAB O=C(N[C@@H](CO)c1ccccc1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20733133 JKAZKHNSJFKJLS-KRWDZBQOSA-N 350.374 1.908 0 40 FDAB Cc1cccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 33026855 HNMZOIHZKGVTIO-UHFFFAOYSA-N 355.394 1.302 0 40 FDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCC(C(N)=O)CC1 12322596 YYNMJHPQQDGWNR-UHFFFAOYSA-N 372.421 1.767 0 40 FDAB O=C1OC[C@@]2(C(=O)OCc3ccccc3)C(=O)C(=O)N(C3CCCCC3)[C@H]12 1714899 OIUSZHXYFDKCQE-QRWLVFNGSA-N 371.389 1.386 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2C)C1=O 3369307 ZUIKZZYRDPUBJK-UHFFFAOYSA-N 361.398 1.587 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4008912 XYZJRDWLOIGRFN-YIUHCBHRSA-N 355.390 1.832 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 23246609 PLWRFRDDDIXLPX-UHFFFAOYSA-N 358.398 1.165 0 40 FDAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCOCC1 6492478 GQCKZCMWWWRYBV-UHFFFAOYSA-N 371.422 1.060 0 40 FDAB Cc1noc(C)c1CS(=O)(=O)CCC(=O)Nc1ccc2c(c1)OCO2 61781350 BVLRWFKVQHRROK-UHFFFAOYSA-N 366.395 1.964 0 40 FDAB COc1ccc(OC)c(-c2noc(CSc3nc(N)cc(=O)[nH]3)n2)c1 8566730 RFZRABWMOUMFQS-UHFFFAOYSA-N 361.383 1.712 0 40 FDAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@@H](O)CO)c(C)c12 8879373 AYMWDTYMOWJTAK-GFCCVEGCSA-N 359.378 1.476 0 40 FDAB biogenic CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 24854844 CNJQDQIHCNBIEU-CXAGYDPISA-N 365.430 1.677 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@@H](O)c2ccccc2)CC1 25719661 FZHVVNCPBFUDQM-QGZVFWFLSA-N 364.442 1.866 0 40 FDAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N[C@@H]1CCS(=O)(=O)C1 57188989 OIRBGPPIRPZYCO-KFWWJZLASA-N 356.419 1.532 0 40 FDAB COc1ccc(CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 24732890 MMPFLMMAFHABSL-UGSOOPFHSA-N 364.467 1.817 0 40 FDAB Cc1nnc2sc(SCC(=O)Nc3cccc(F)c3)nn2c1=O 27526488 XEMTUKFBBCOSQG-UHFFFAOYSA-N 351.388 1.724 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 58116682 MXTQOYGIEUVHDU-INIZCTEOSA-N 354.362 1.532 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 36398374 MRFAOWCZARUCOA-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB CNC(=O)c1ccccc1NC(=O)Cc1csc(NS(C)(=O)=O)n1 29993183 IWUBXIXVUWXTIE-UHFFFAOYSA-N 368.440 1.055 0 40 FDAB Cc1cc(N2CC3(C[C@H](Oc4ccccn4)CS3)C2)n2ncnc2n1 306136492 PUYNSBJKPFUTTL-ZDUSSCGKSA-N 354.439 1.971 0 40 FDAB CC(C)c1nn(C)cc1CNCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 48367163 FKKWKPBHNCIHDC-KBPBESRZSA-N 358.508 1.072 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 12811327 DHYNWZIHOLYETQ-UHFFFAOYSA-N 357.414 1.112 0 40 FDAB CC(=O)O[C@H]1CO[C@@H](Oc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 4027590 XDSMSDIUHZDZLQ-NXOAAHMSSA-N 352.339 1.217 0 40 FDAB biogenic C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000092 XAKUZCZSHRSKPG-HNNXBMFYSA-N 365.433 1.838 0 40 FDAB CCOc1ccc(OCCN2CCN(CC(=O)NC(C)(C)C)CC2)cc1 22786070 DFBLUARZIHMZCY-UHFFFAOYSA-N 363.502 1.996 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)OCN1C(=O)c2ccccc2C1=O 4884168 NHWQKHXORBRXQS-UHFFFAOYSA-N 352.302 1.391 0 40 FDAB O=C1C(=O)N(Cc2cc(=O)n3ccsc3n2)C(=O)N1Cc1ccccc1 5870920 JUPPJGZSZMRMAW-UHFFFAOYSA-N 368.374 1.247 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3ccsc3n1)CS2 5876114 KUJCMUBRJUHYOX-ZUZCIYMTSA-N 365.436 1.253 0 40 FDAB CC(C)C[C@H](C(=O)O[C@@H]1C[C@@H](C)OC1=O)N1C(=O)c2ccccc2C1=O 7392077 RVQACONCRXICFQ-KCPJHIHWSA-N 359.378 1.945 0 40 FDAB C[C@H](C(=O)Nc1cccc2ccccc12)N(C)CC(=O)N1CCOCC1 7607640 TZTWCZVIEDUDAE-OAHLLOKOSA-N 355.438 1.957 0 40 FDAB CCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 7781172 VUGUDAJOWYQAPH-UHFFFAOYSA-N 357.432 1.248 0 40 FDAB O=C(COC(=O)Cn1c(=O)oc2ccccc21)NC(=O)Cc1ccccc1 7779955 PNTVOJWVZDQTSD-UHFFFAOYSA-N 368.345 1.023 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@@H]2CCCC[C@@H]2C1 8155529 JMJJFWLJYGFOHD-UONOGXRCSA-N 362.451 1.870 0 40 FDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 8232318 ZVEGYETVHSDAQM-GFCCVEGCSA-N 374.470 1.964 0 40 FDAB CN(C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8389609 NBBWIJRXSJDPOJ-UHFFFAOYSA-N 353.488 1.543 0 40 FDAB C[C@H](CS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(C)CC1 19991374 FCYPFFDMTPCXKN-OAHLLOKOSA-N 365.499 1.223 0 40 FDAB CCOC(=O)c1nn(C)cc1CN1CCN(C(=O)c2ccccc2)CC1 97095943 KNLBQLUYWYFBLI-UHFFFAOYSA-N 356.426 1.555 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCN(C)CC2)c1 97617842 FLQPHKVBDYMUCZ-UHFFFAOYSA-N 353.488 1.495 0 40 FDAB Cc1ccc(C(=O)N[C@H](C)c2nnc3ccccn23)c(-n2cnnn2)c1C 95474490 UOAXCBPSMZMMJN-CYBMUJFWSA-N 362.397 1.813 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CC3)n2)CCCC1 95406616 YVGBCQDIJBKBQG-NSHDSACASA-N 354.432 1.203 0 40 FDAB COc1cc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc(OC)c1OC 95470251 ABWCJYGINDLGMK-UHFFFAOYSA-N 362.338 1.211 0 40 FDAB Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1547138929 WIWPGVBUBJGFHL-CABCVRRESA-N 369.421 1.060 0 40 FDAB biogenic COc1cccc(-c2nnc(SCC(=O)Nc3cccnc3)n2N)c1 27751950 IJYZIPMDHVKPOX-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB CCCCNC(=O)N1CCN(c2nc(CC)nc3c(C)nn(C)c23)CC1 28557571 BJCJWZAAZZAJTL-UHFFFAOYSA-N 359.478 1.866 0 40 FDAB CNCCCNC(=O)c1nc(Cc2cc(C(=O)OC)ccc2Cl)no1 61718983 DDYJLZPSRYUIBQ-UHFFFAOYSA-N 366.805 1.440 0 40 FDAB Cn1nc(NC(=O)c2cnccn2)c2c1NC(=O)C[C@H]2c1cccs1 36705636 MOHQIOJZPKXHIE-VIFPVBQESA-N 354.395 1.998 0 40 FDAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2CC(=O)N(C)C)nc1C 72345509 IKNRZJLXDHOPER-INIZCTEOSA-N 361.490 1.882 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)cc1 40267978 VKXUWHAFAUDRFW-UHFFFAOYSA-N 366.381 1.234 0 40 FDAB COc1cc(S(=O)(=O)NC[C@@H]2CCCOC2)cc(C(=O)O)c1OC 324479966 MAXGQHLDMKKNHM-JTQLQIEISA-N 359.400 1.107 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 224313527 ZXHWCAIUWCSKDS-UHFFFAOYSA-N 361.471 1.362 0 40 FDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N1CCOc2ccccc21 225876127 PXSBTNVQWCBXIW-UHFFFAOYSA-N 353.425 1.862 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 85473590 YIVFYTDHDMMBNE-OLZOCXBDSA-N 365.455 1.075 0 40 FDAB Cn1cc(C(=O)N[C@H]2CCO[C@]3(CCN(Cc4ccccn4)C3)C2)cn1 96207953 FHTZJHJCWVALEL-QFBILLFUSA-N 355.442 1.369 0 40 FDAB COc1cc(N2CCC[C@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)ncn1 96075644 YRAAQTGBBUVOHP-APWZRJJASA-N 361.490 1.108 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106132 ZSRDPNRNNJHISJ-INIZCTEOSA-N 354.410 1.962 0 40 FDAB COc1cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)on1 331580854 LTFLBILXJFBMBG-UHFFFAOYSA-N 351.384 1.136 0 40 FDAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96156247 VRSPLPMZGTZPQR-ZDUSSCGKSA-N 356.430 1.340 0 40 FDAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2 247968770 HCDPROZZFVJPRE-ZDUSSCGKSA-N 352.410 1.096 0 40 FDAB C[C@]1(n2cc(CN3CCOCc4ccccc43)cn2)CCS(=O)(=O)C1 585085047 QUYHZDHDCQPNDX-SFHVURJKSA-N 361.467 1.954 0 40 FDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)CCc2ccnn2C)ccn1 257292377 QLEXIAYKZQZFNR-GOSISDBHSA-N 355.442 1.748 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2cccc(OC)c2)C1 260504037 CCDZKKQSUWKFGB-INIZCTEOSA-N 368.499 1.806 0 40 FDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccnn2CCc2ccccc2)C1 621243193 OPUKNXIGQLXKKI-HNNXBMFYSA-N 363.439 1.611 0 40 FDAB Cc1ncc(C(=O)N2C[C@H]3CN([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)s1 1091532263 CQHHPCLZHZURBX-LBTNJELSSA-N 362.499 1.466 0 40 FDAB CO[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C)C[C@H]1c1cnn[nH]1 622170394 ZMZSGKVFTBGIOT-SWLSCSKDSA-N 350.806 1.786 0 40 FDAB Cc1cc(NC(=O)NCc2nnc3n2CCOCC3)nn1[C@H](C)C1CC1 1615592417 TYZTYJFNVSYOFC-GFCCVEGCSA-N 359.434 1.648 0 40 FDAB O=S(=O)(CC[C@@H]1CCc2ccccc21)N1CCN2CCOC[C@H]2C1 641420546 CDRBBGWCUXYZFF-DLBZAZTESA-N 350.484 1.453 0 40 FDAB O=C(Nc1ccn(CCN2CCNC2=O)n1)c1ccc(-c2cn[nH]c2)cc1 1156373129 QLAJQSKYYCOUJK-UHFFFAOYSA-N 365.397 1.551 0 40 FDAB NC(=O)C1(CNCc2c(Cl)cccc2N2CCOCC2)CCOCC1 293983373 DYIAPQFEAYMORN-UHFFFAOYSA-N 367.877 1.548 0 40 FDAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575423784 RFJCWXDLBOQVIR-CVEARBPZSA-N 369.464 1.008 0 40 FDAB Cc1nn(CCNC(=O)CN2C(=O)CCC2=O)c(C)c1-c1cccs1 575612384 DDWCDDHKIWRUIN-UHFFFAOYSA-N 360.439 1.494 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 585095777 KAHALEYRMSVSBA-CQSZACIVSA-N 362.455 1.571 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCn2nccc2C)CCO1 585277498 MJSGTONJDGWNGI-HXUWFJFHSA-N 357.454 1.723 0 40 FDAB COC[C@@]1(CC(=O)N(C)Cc2ccccc2F)CN(C(C)=O)CCO1 585280129 AWIXFLYIQLYFMM-GOSISDBHSA-N 352.406 1.438 0 40 FDAB CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 585284264 WJQUEHYHVOUKCA-LJQANCHMSA-N 350.434 1.961 0 40 FDAB CCOc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)ccn1 685942468 NNYITCPIMFVBJH-ZDUSSCGKSA-N 357.414 1.672 0 40 FDAB O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCC(=O)Nc1cn[nH]c1 51412578 GPQPRTNDOMOQQA-UHFFFAOYSA-N 373.413 1.894 0 40 FDAB CCN(CC)CCNC(=O)NCCC(=O)N1CCc2sccc2C1 52332120 DHIUBNVMMGETLB-UHFFFAOYSA-N 352.504 1.664 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 5869607 QXXGRRCUIHQHMT-GHXNOFRVSA-N 364.379 1.150 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12 12117685 PAMGSAVNJDYOAR-UHFFFAOYSA-N 357.414 1.110 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)c(Cl)cc1Cl 12869909 LSERWXDNYYRRDP-UHFFFAOYSA-N 353.271 1.600 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2OC)cc1 16601791 UEUDSWJCYOAJPD-UHFFFAOYSA-N 362.451 1.852 0 40 FDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16637289 PBJJYMIOWLCBQP-GFCCVEGCSA-N 358.460 1.629 0 40 FDAB Cc1cc(C)n(CC(=O)N2CC[C@]3(CCc4ccccc4C(=O)N3)C2)n1 19573317 UQNCGQRCQCSVNF-HXUWFJFHSA-N 352.438 1.847 0 40 FDAB CC(=O)N[C@@]12CN(Cc3cccc4ncccc34)CC[C@@H]1CN(C(C)=O)C2 19713565 QFLQXUCILWFFHO-WIYYLYMNSA-N 366.465 1.794 0 40 FDAB COC(=O)[C@H]1CCc2nnc(-c3csc(N4CCOCC4)n3)n2CC1 601043970 LEFDKGLPFIGJOR-NSHDSACASA-N 363.443 1.364 0 40 FDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1(c2ccccc2)CC1 575617714 WBBMXEOJPPODMC-QGZVFWFLSA-N 362.495 1.486 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cccc3c2OCO3)[C@@H]1c1cncn1C 583621186 PECJABITRPWKHP-SUMWQHHRSA-N 356.426 1.962 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccn2)CC1 6434876 YSSVAQKYOPEXTA-HZPDHXFCSA-N 370.453 1.296 0 40 FDAB Cc1cnc(N(C)[C@@H]2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1 1889071915 HUWYPGLTOKKGAE-MRXNPFEDSA-N 352.504 1.510 0 40 FDAB CN(C)c1nccc(N2CCN(c3ncnc4cc(F)ccc34)CC2)n1 1889149452 IZOFLIVAMBIZKE-UHFFFAOYSA-N 353.405 1.952 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)cc1 15245499 OSXBFWMNOBNNML-UHFFFAOYSA-N 373.394 1.558 0 40 FDAB Cc1ncc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)cn1 2056224632 MUQAPMASUWKHQC-MRXNPFEDSA-N 355.467 1.670 0 40 FDAB CN(C)c1ccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1 2087126149 JOIUIHMZQUPISG-UHFFFAOYSA-N 357.340 1.267 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)cs1 1565544260 CKCWHQMAXWVQPT-ZDUSSCGKSA-N 351.472 1.987 0 40 FDAB O=C(Cc1ccccn1)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565543094 VEFBPODYORADSQ-XLIONFOSSA-N 351.406 1.135 0 40 FDAB CCc1ccc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)cn1 1565542713 XHKSENFLQZQTHB-UHFFFAOYSA-N 369.469 1.371 0 40 FDAB CCc1ccc(C(=O)N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)cn1 1565542764 PUBKJWDFCGHBON-HXUWFJFHSA-N 358.486 1.660 0 40 FDAB O=C(c1cccc(F)c1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565547704 MKIIUSXBBJZZQW-UHFFFAOYSA-N 352.431 1.902 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565551516 RMMLFOXBSZVYGY-PIIMJCKOSA-N 357.454 1.167 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)CC3(O)CCC3)C2)C1 1565551753 KEJYRJPYULSIFX-LJQANCHMSA-N 372.425 1.463 0 40 FDAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)N1CCOCC1 4376986 FGMRBZSMAQSYHC-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338221 HUCYSCQPOHNTGD-UHFFFAOYSA-N 365.324 1.719 0 40 FDAB O=C(NCCS(=O)(=O)NCc1cccs1)c1ccc2c(c1)OCO2 4941084 JFRJOCOVEKQVMY-UHFFFAOYSA-N 368.436 1.326 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1 13849583 DOEGLMKNCPQPTE-UHFFFAOYSA-N 350.396 1.532 0 40 FDAB CC(=O)c1cc(C(=O)N2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)n[nH]1 2055773059 PXVQDPCSDZRIMA-CQSZACIVSA-N 357.414 1.512 0 40 FDAB COc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1OC 43979928 KFTLRXBFGKNEPU-UHFFFAOYSA-N 356.444 1.105 0 40 FDAB COC[C@](C)(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)OC 575613885 XSYGVMADMDARNP-KRWDZBQOSA-N 357.472 1.579 0 40 FDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(OCC(F)(F)F)C1 585365454 HUPQEJWSDYVVOK-UHFFFAOYSA-N 361.345 1.824 0 40 FDAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 28826926 LYBYVBOJVKMYLY-UHFFFAOYSA-N 370.434 1.710 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 40087657 DZZQIIMVNXLESO-IBGZPJMESA-N 358.486 1.326 0 40 FDAB Cc1cccc(OCCNC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 40057004 GMNRRSRSGPTWOV-UHFFFAOYSA-N 353.382 1.794 0 40 FDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nnc3ccccn23)C1=O 31738331 GGGRDGPEDPQBFI-GFCCVEGCSA-N 351.366 1.872 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 32675820 FZSUFLAQJHLVHQ-KGLIPLIRSA-N 362.401 1.980 0 40 FDAB CC(C)(C)NC(=O)CNC(=O)COc1ccc(F)cc1Br 21558388 OZNAZYCZYITSGD-UHFFFAOYSA-N 361.211 1.998 0 40 FDAB O=C(CNC(=O)c1ccccc1-n1cnnn1)Nc1ccc(F)c(F)c1 32960920 HGUSLQXEZVHHAI-UHFFFAOYSA-N 358.308 1.309 0 40 FDAB CN(CCO)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1 32928455 TVMBNERUFKWYRE-UHFFFAOYSA-N 366.414 1.369 0 40 FDAB Cn1ncc(Br)c1/C=C1\N=C(S)N(C[C@@H]2CCCO2)C1=O 2803743 PQIHIXPSDHKFKU-AMAGOZFHSA-N 371.260 1.831 0 40 FDAB COC(=O)c1cncc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 89587147 DBOOAOGWXODMQL-UHFFFAOYSA-N 364.379 1.984 0 40 FDAB CN1CCN(C[C@H](O)CN(C)C(=O)Nc2cccc3ccccc23)CC1 78599503 FRGYNBHXZKKREQ-QGZVFWFLSA-N 356.470 1.912 0 40 FDAB Cc1c(C(=O)OCC(=O)NC(N)=O)oc2ccc(Br)cc12 3533053 IUOAWKVKTBGFAF-UHFFFAOYSA-N 355.144 1.855 0 40 FDAB Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)n1C 23325304 ALZLLKXNRIEKBE-UHFFFAOYSA-N 356.426 1.857 0 40 FDAB COc1cc(Br)c([C@H]2CC(=O)Nc3ncnn32)cc1OC 6145512 NCBUBYMVSQPESA-SECBINFHSA-N 353.176 1.989 0 40 FDAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O 6951184 OFKVSUBOBJYZTR-IZZDOVSWSA-N 368.773 1.813 0 40 FDAB CC(C)NC(=O)CN(C)CC(=O)NCCc1ccc(OC(F)F)cc1 7796559 IEUPWWWFVMNDNY-UHFFFAOYSA-N 357.401 1.403 0 40 FDAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H]1CCOC1 42725698 SYKUCFPPJLOKMD-GDBMZVCRSA-N 351.422 1.946 0 40 FDAB CN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 8091775 VEMLJXBHUNOQMU-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB COc1cc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 101451587 POZZNRSKEPZBQL-ZNIXKSQXSA-N 353.758 1.950 0 40 FDAB CCOC(=O)[C@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1CC 58192752 ALSSGDMHFLXYCW-VIFPVBQESA-N 357.457 1.747 0 40 FDAB Cc1nc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cs1 58263826 KXTHSWAQKFRXPJ-UHFFFAOYSA-N 365.889 1.761 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccccc1Cl 12795730 LAIMKMFQEHBJRJ-UHFFFAOYSA-N 351.815 1.886 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCC(C)(C)CO)cc1 89761736 YQEMOARMXHGANQ-UHFFFAOYSA-N 372.487 1.231 0 40 FDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(C)CC3)c2c1C 3363640 SICZFGUWUFEAJL-UHFFFAOYSA-N 361.515 1.892 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)NCc1ccco1 3318307 ISJKBFXCWXHZKN-IBGZPJMESA-N 353.378 1.375 0 40 FDAB Cc1nnc(O)c2c1[C@H](c1cccc(Br)c1)n1nnnc1N2 10298596 DAOUPWDWXSDTCZ-NSHDSACASA-N 360.175 1.934 0 40 FDAB Cc1nc2ccccn2c1CN1CCN(CC(=O)N2CCCCC2)CC1 75568031 QXPSYHKZAGJPKB-UHFFFAOYSA-N 355.486 1.773 0 40 FDAB CN(Cc1ccc(F)cc1F)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 12876518 MOZDOBJXLKESKF-UHFFFAOYSA-N 359.332 1.627 0 40 FDAB CS(=O)(=O)/N=C(\O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 48479577 AWZITEFIGSCFJT-UHFFFAOYSA-N 358.375 1.747 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 12901352 ADBHUGGPGVLGKO-CQSZACIVSA-N 374.466 1.859 0 40 FDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 13141909 LWRRXOUUZRUDDD-HUUCEWRRSA-N 374.393 1.352 0 40 FDAB C[C@]1(NC(=O)CCc2nc(-c3ccsc3)no2)CCS(=O)(=O)C1 22551285 PPGAXGUTDYUKGR-AWEZNQCLSA-N 355.441 1.424 0 40 FDAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccccc2)CN=3)c1 13583523 JPTPELGLSYCMOL-BOPFTXTBSA-N 351.431 1.802 0 40 FDAB O=C(CCN1C(=O)c2ccncc2C1=O)N1CCO[C@H](c2ccccc2)C1 95473768 NBOVOVNVKWBIJX-KRWDZBQOSA-N 365.389 1.668 0 40 FDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 5069375 FKNIGOZBGRIHDF-OAHLLOKOSA-N 364.745 1.567 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)c1n[nH]c(=O)c2ccccc12 5182978 XHFYQHVOBCTXTI-UHFFFAOYSA-N 354.347 1.350 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1sccc1S(N)(=O)=O 14198632 UXQYBBDEZQIWSQ-UWVGGRQHSA-N 360.457 1.342 0 40 FDAB NC(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 5881799 QPZTUKVSNDWIGD-UHFFFAOYSA-N 366.370 1.198 0 40 FDAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928289 HTWWXMPBXFQKFB-UHFFFAOYSA-N 372.830 1.061 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7724431 MHISZLOYYHNMML-GFCCVEGCSA-N 373.906 1.804 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2[C@H]1C 8709834 BIBWLTJAABQEQO-NSHDSACASA-N 370.388 1.471 0 40 FDAB COc1cc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9762274 PLNCPUZEWKCJIA-ZYOFXKKJSA-N 355.412 1.029 0 40 FDAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCNC1=O 9864962 RPYZIQGUYLTXTP-GFCCVEGCSA-N 355.350 1.971 0 40 FDAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccccn3)CC2)C1 306132901 LVRIYNMIPCQBDS-UHFFFAOYSA-N 356.430 1.555 0 40 FDAB CC(C)(C)c1nnc(NC(=O)CN2CCN(Cc3ccccn3)CC2)s1 23093238 ARSIQFFESMWMCJ-UHFFFAOYSA-N 374.514 1.987 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306126550 DYXHZMWUVGCMOR-KBPBESRZSA-N 355.417 1.614 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(CC3CC3)C[C@H]1C2 306137702 RDLXMUNCSMFBQO-IAGOWNOFSA-N 351.454 1.722 0 40 FDAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 79476020 DLLVKMSJYLNNCT-LBPRGKRZSA-N 353.831 1.657 0 40 FDAB COc1ccccc1OCCNC(=O)[C@H](C)n1nnc2ccccc2c1=O 72404383 DKLRMYGCXBXMSL-ZDUSSCGKSA-N 368.393 1.556 0 40 FDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccsc3)CC2)cn1C 66101395 QZJXSWZDNUJKHB-UHFFFAOYSA-N 368.484 1.327 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218095936 ATYDAPZGAJGXBD-NUJGCVRESA-N 361.419 1.665 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326756 VILCDBJYKIWEBU-BUXKBTBVSA-N 356.426 1.218 0 40 FDAB OC[C@H](NCc1nnnn1C1CCOCC1)c1ccc(C(F)(F)F)cc1 564401684 YUSMKVYKJURSKS-AWEZNQCLSA-N 371.363 1.867 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccccn1)C2 96050198 IAFFSFRMFFWNJU-HXUWFJFHSA-N 365.437 1.316 0 40 FDAB CCS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@H](CO)O1 96531870 VYUZKEBERYHQRT-GXFFZTMASA-N 355.239 1.989 0 40 FDAB CCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 96228191 RQYSKTXEAIHAAK-UHFFFAOYSA-N 357.501 1.758 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n(C)n1 583618732 BOCWHHLODSCALA-HNNXBMFYSA-N 358.446 1.933 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)NCc2ccccc2)C[C@]2(CNC(=O)C2)C1 96143327 XSXOHBQLYIPUDW-HXUWFJFHSA-N 372.469 1.203 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H](CO[C@@H]2Cc2nnc(C3CC3)o2)C1 96206044 GPOHBEKVFNQZNN-MRVWCRGKSA-N 353.444 1.319 0 40 FDAB Cc1cccc(COCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)n1 247927463 DVNYJHTWSILZLL-HNNXBMFYSA-N 369.487 1.194 0 40 FDAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 604382665 YAJPFGNJIUVPSU-UAFMIMERSA-N 371.481 1.954 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C(C)C 257288247 PTMOSZGHKZTJFG-SFHVURJKSA-N 373.497 1.402 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 253600112 DWRJDUHFBRVUMC-HNNXBMFYSA-N 368.503 1.113 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCN 257333108 YAESXVATUIIXGJ-IBGZPJMESA-N 357.458 1.158 0 40 FDAB CC(=O)NCc1cnc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)[nH]1 257214593 CMOVQPQDIZSDDH-IWAYRVGRSA-N 354.410 1.659 0 40 FDAB CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1 539196097 LHFORADJIOJMGD-UHFFFAOYSA-N 351.384 1.758 0 40 FDAB CN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@H]1c1nccn1C 276569541 GUXWDIUHFATEGM-KRWDZBQOSA-N 368.416 1.874 0 40 FDAB CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)Oc2cccnc2)CC1 271956322 DILLBDBBPKKMRI-CQSZACIVSA-N 369.487 1.415 0 40 FDAB O=S(=O)(c1ccc(-c2nn[nH]n2)s1)N1CCOC[C@@H](C2CCC2)C1 1609597904 UMXHHCPADBCHQN-NSHDSACASA-N 369.472 1.365 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)Nc2cc(C(C)C)on2)C[C@H]1c1ccnn1C 1615547211 DJBOGEBWHRWBSY-CHWSQXEVSA-N 360.418 1.668 0 40 FDAB Cc1nnc([C@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H](C)O2)o1 619289924 LAEIBASKZPUHGD-BXUZGUMPSA-N 356.386 1.504 0 40 FDAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 96103257 QETKQLJLDPYWHX-AWEZNQCLSA-N 374.418 1.926 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(Cn2cccn2)cc1 643953691 YRBOVEKFMBSBKM-LJQANCHMSA-N 356.426 1.299 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403125 DDUDLKQGBKPEOC-MRXNPFEDSA-N 358.467 1.987 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575406373 XHPBLBYXIMWNJX-OUCADQQQSA-N 361.423 1.562 0 40 FDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 575403933 LAELBASCDBSBLZ-CRAIPNDOSA-N 370.449 1.620 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1cc(OC)c(OC)c(C(=O)O)c1 655593350 ISOYMDKETJMRPV-UHFFFAOYSA-N 369.399 1.351 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NCc1cccnc1)CO2 575403521 FXMAADFQJPWRKC-QGZVFWFLSA-N 374.485 1.046 0 40 FDAB C[C@H](C(=O)OCC(=O)OCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 725421450 APGGNJLOKYOUBN-WFASDCNBSA-N 362.378 1.873 0 40 FDAB CN1CCC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H]1Cc1cccc(F)c1 585281081 SQFPLMJQFMFLDU-ROUUACIJSA-N 357.429 1.960 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1)[C@@H](C)C2 585098750 YXKSZYQUMIOAMD-NSHDSACASA-N 354.407 1.199 0 40 FDAB CO[C@]1(CCC(=O)NCCn2nc(C)cc2C)CCCN(C(C)=O)C1 585281147 UAMXDLMSVBNORO-SFHVURJKSA-N 350.463 1.424 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nccnc1Nc1ncccn1 585291407 CHMFEZJXKNCDLR-GBXSZLQWSA-N 353.430 1.792 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095731 GJGGVKQYPKNYSH-XYPHTWIQSA-N 353.426 1.524 0 40 FDAB O=C(c1cocn1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 585098541 ZFLSRUCQSLDSKF-LBPRGKRZSA-N 351.357 1.627 0 40 FDAB CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)[C@@H](O)[C@@H]21 585262319 YHZJOBGYRMTBFO-UTRMSSBJSA-N 370.380 1.871 0 40 FDAB O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 57322797 BGOPXEDVDCMAJL-UHFFFAOYSA-N 365.481 1.552 0 40 FDAB COc1ccc(CN(C)S(=O)(=O)CCCN2CCOCC2)c(OC)c1 95467492 HBAKRKFYRXHIKF-UHFFFAOYSA-N 372.487 1.188 0 40 FDAB Cc1ccc(Cl)cc1N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 5084199 RNJLPPFXVJZFIW-UHFFFAOYSA-N 359.817 1.937 0 40 FDAB Cn1nc(C2CC2)cc1C(=O)N1[C@H]2CC[C@@H]1CC(O)(c1ccnn1C)C2 12224520 RHKUMIQPNWZFBD-FSWDVZBNSA-N 355.442 1.686 0 40 FDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCC2)c(=O)[nH]c1=O 14171509 ZQLNIZLNPCIEIF-UHFFFAOYSA-N 372.425 1.099 0 40 FDAB CC(=O)N1C[C@H](c2ccc(CN(C)c3ncccn3)cc2)[C@@H](C(N)=O)C1 19699240 VZHJHLCPVHCBFM-SJORKVTESA-N 353.426 1.160 0 40 FDAB CN1CCC(C(=O)N2CC(C(=O)NCCCc3ccc(F)cc3)C2)CC1 19747526 BPHBVAUZKMLJSE-UHFFFAOYSA-N 361.461 1.675 0 40 FDAB CCCCN(C(=O)/C=C/c1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O 3443587 RIONMSOIEHJJHD-CMDGGOBGSA-N 360.414 1.968 0 40 FDAB Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3ccccc3F)CC1)CC2 238812138 AOHATPAUCJGOQC-CQSZACIVSA-N 370.428 1.373 0 40 FDAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 3530777 JJLSBAZKKWMKIC-LLVKDONJSA-N 365.329 1.166 0 40 FDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 4308615 MIDQGGUWJRKDJU-QGZVFWFLSA-N 369.368 1.923 0 40 FDAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N1CCCC1 5704221 VSNNSVOVEUPODW-ZDUSSCGKSA-N 369.512 1.969 0 40 FDAB Fc1cnc(OC[C@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888888195 ROLZFXOFRLBOMP-APPDUMDISA-N 355.377 1.968 0 40 FDAB Cc1cc(C)nc(N2CCO[C@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226631 WOQWHVWNIGFRIE-XLIONFOSSA-N 374.485 1.907 0 40 FDAB Cn1cccc(C(=O)N2C[C@@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)c1=O 1565556029 UXDJFIDQROZWGF-HOCLYGCPSA-N 365.437 1.187 0 40 FDAB O=C(Nc1ccccn1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273356 XUSQMDWERBFWCA-LBPRGKRZSA-N 354.366 1.780 0 40 FDAB COc1cccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)c1 5190081 YIPQWSRCSDUNLH-GFCCVEGCSA-N 368.393 1.721 0 40 FDAB COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C 9571470 XBWUKORCRFWJSU-UHFFFAOYSA-N 372.356 1.190 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@H]4CCCO4)cc1c32 9738115 VBLUJQMKVNITBV-BXUZGUMPSA-N 357.410 1.317 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 9828169 DZZNWVILHXPYLZ-UHFFFAOYSA-N 362.407 1.960 0 40 FDAB COc1ncccc1CN1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055747104 ILZBWYCBGXPAJI-UHFFFAOYSA-N 372.473 1.359 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1 206829482 QOJITDMRWDUYIC-LLVKDONJSA-N 367.452 1.487 0 40 FDAB Cc1ccc(C(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)s1 19217100 QVDCKQOZKKTUOC-GFCCVEGCSA-N 356.455 1.703 0 40 FDAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]cn1 9187716 XAFOYEVKLVEXFX-JYRVWZFOSA-N 360.395 1.788 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2n(n1)CCCO2 90626833 CBHRRFSKCDQJJD-MRXNPFEDSA-N 368.393 1.661 0 40 FDAB COc1cc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1C 40056955 XTUDFIHUVVMKHF-UHFFFAOYSA-N 354.366 1.542 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1 31071436 YAPPWOHIUHMHLI-UHFFFAOYSA-N 366.395 1.051 0 40 FDAB NC(=O)NCc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1 32905536 BLAPOLVLANDWQK-UHFFFAOYSA-N 353.426 1.780 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)NCC(=O)N2CCCCC2)CC1=O 53055904 KMWKXQSVXMNKDV-INIZCTEOSA-N 357.454 1.731 0 40 FDAB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N2CCOCC2)c1C 871493 BDVBDTBNNOUEHU-UHFFFAOYSA-N 352.412 1.664 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 1361751 INNFPMQMUOEOQH-LBPRGKRZSA-N 354.362 1.846 0 40 FDAB NC(=O)c1sccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 79106620 ZXVDXKZUCDJXGE-UHFFFAOYSA-N 350.377 1.754 0 40 FDAB NC(=O)[C@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1 6272488 GILYTPIZGZUWMR-HNNXBMFYSA-N 358.423 1.328 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)/N=c2/sccn2C)cc1C 104999641 NBMXNRFYUVWLGD-BMRADRMJSA-N 353.469 1.499 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 54618778 XKXVSEVDWXBPQZ-BXUZGUMPSA-N 372.343 1.590 0 40 FDAB COc1ccccc1[C@@H]1CCCCN1C(=O)Cn1ncn2nccc2c1=O 601989178 HSFICTDJIYYSQD-HNNXBMFYSA-N 367.409 1.653 0 40 FDAB CC(C)(C)NC(=O)CC1(C(=O)N2CCN(c3cnccn3)CC2)CCCC1 25836146 LWTRRSYYOITXHI-UHFFFAOYSA-N 373.501 1.990 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC(=O)O 12664457 VQENLWAOLMDJHY-ABAIWWIYSA-N 373.413 1.181 0 40 FDAB biogenic Cc1nn(CN2CCN(C(=O)N3CCCCC3)CC2)c(=O)c2noc(C)c12 58194300 HQFVZVKPGDHZHO-UHFFFAOYSA-N 374.445 1.182 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NCCCCN1CCOCC1 48285020 NEJSSDMRTMGHTA-UHFFFAOYSA-N 361.442 1.031 0 40 FDAB C[C@H](c1ccc(OC(F)(F)F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 58218764 QNIVFFFGCSDIBK-SECBINFHSA-N 368.315 1.942 0 40 FDAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc2ncccc12 58266424 SRWIGIPESYSDQY-CQSZACIVSA-N 366.464 1.904 0 40 FDAB CCc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2cccc(F)c2)n1 57508133 SNZNVYDTDJDEFC-MRXNPFEDSA-N 359.401 1.907 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 3465359 YIGPUCWCSHBUMW-UHFFFAOYSA-N 374.418 1.341 0 40 FDAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(N)=O)c1 3431624 KIEBICWFLLCZIE-LBPRGKRZSA-N 374.418 1.469 0 40 FDAB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13146545 TYHDZMLRULCORU-HZPDHXFCSA-N 372.421 1.960 0 40 FDAB O=C(O)/C=C/C(=O)N1N=C(c2ccco2)C[C@]12C(=O)Nc1ccccc12 9183934 OHMAZMRDUMMUGQ-DVBCCOPCSA-N 351.318 1.704 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13550813 YZSNJAUFTYTFLN-LLVKDONJSA-N 371.832 1.934 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc(C)c3)C2=O)C1 5024151 IMVHFCYIPZXMBP-SFHVURJKSA-N 357.366 1.168 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)cc2C1=O 65562740 UUKLPIPOIQLNEA-AWEZNQCLSA-N 373.434 1.050 0 40 FDAB O=C1[C@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(F)cc1 96006739 PSVYJTAWGXVRPE-CYBMUJFWSA-N 356.325 1.798 0 40 FDAB c1coc([C@@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)c1 20676318 QRPKTVKIUGAZQD-OAHLLOKOSA-N 361.369 1.100 0 40 FDAB O=C(NCCCNC(=O)c1cnccn1)c1ccc(Br)cc1 4985353 FJTKNENFHGPYKA-UHFFFAOYSA-N 363.215 1.789 0 40 FDAB COc1ccccc1CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858495 CGNCIYWFIATBRU-UHFFFAOYSA-N 374.418 1.692 0 40 FDAB O=C(COc1ccc2c(c1)CCC2)NN1C(=O)NC2(CCCCC2)C1=O 9577179 CEAYPKCPEIDSMR-UHFFFAOYSA-N 357.410 1.840 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C(=O)O)C(C)C)c1 9537165 IFBDOUGVDBPEAW-OAHLLOKOSA-N 370.471 1.865 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)OC)ccc1C 8394197 QQJZZEDXTUKZBZ-GFCCVEGCSA-N 356.444 1.317 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1n[nH]c(=O)c2ccccc12 18004995 YXUOWPLVQUUOAE-LBPRGKRZSA-N 351.362 1.835 0 40 FDAB O=C(CN(C[C@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 95457122 WPWAVRMRLUWJGT-HUUCEWRRSA-N 363.424 1.726 0 40 FDAB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1OCC(=O)O 95424313 LIYVAXJELJKGIM-ZDUSSCGKSA-N 359.382 1.700 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)NCC2(c3ccccc3)CCOCC2)CC1 75732871 LSQZWEQVGFOYFK-QGZVFWFLSA-N 373.497 1.404 0 40 FDAB CC(C)CNC(=O)c1nnc2n1CC1(CCN(Cc3cccnc3)CC1)C2 306130779 JPDDKGWBRHLRRX-UHFFFAOYSA-N 368.485 1.897 0 40 FDAB COc1cccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)c1 306131274 JZWUEMBIDPBSDH-KVSKMBFKSA-N 368.437 1.362 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408597682 VULFGMNSEFFXDP-AWEZNQCLSA-N 370.471 1.343 0 40 FDAB Cc1nc(O)cc(-c2ccc(NC(=O)N[C@H](CO)c3cnn(C)c3)cc2)n1 536011591 RNQSMOZFJKKVKY-MRXNPFEDSA-N 368.397 1.746 0 40 FDAB Cc1cc(N2CC[C@H](NC(=O)c3cnc4ccsc4c3)C2=O)n(C)n1 525722945 MCMWFOOOWBQXHR-ZDUSSCGKSA-N 355.423 1.874 0 40 FDAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149335 DDQLVLCESROZFA-QZTJIDSGSA-N 371.510 1.725 0 40 FDAB CCS[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 43808036 HWVFWNMATMHVMS-UYLCUJDWSA-N 353.440 1.444 0 40 FDAB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1OC 225192177 RNLWYGCGKMHXAH-LBPRGKRZSA-N 358.460 1.631 0 40 FDAB O=C(CNC(=O)C1CC1)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 532611976 WWGTZXKPMAFUFX-OAHLLOKOSA-N 373.409 1.231 0 40 FDAB COc1ccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)[C@H]2CCOC(C)(C)C2)cc1 95476760 ISAVIWIMOCTFJM-LBPRGKRZSA-N 360.414 1.845 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(C(=O)C1CCOCC1)C2 96060794 XDKHBULXJQFJHC-OAHLLOKOSA-N 371.441 1.279 0 40 FDAB O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1Cc1cccnc1 96159088 HZJXRKMRYVSMSE-UHFFFAOYSA-N 357.389 1.409 0 40 FDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106791 AXIQANROTJTINR-INIZCTEOSA-N 354.410 1.852 0 40 FDAB COc1ccc(CC(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1F 580236774 LXKZCDFLIYQDFQ-AWEZNQCLSA-N 361.417 1.548 0 40 FDAB Cc1nnc(NC[C@H]2CO[C@]3(COCCN(C(=O)CC4CC4)C3)C2)o1 96240597 DGINWGGAGCPUFZ-WMLDXEAASA-N 350.419 1.224 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@]2(O)CCSC2)cs1 583623111 RODXFLUSNKVEON-CORIIIEPSA-N 359.492 1.348 0 40 FDAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)CC[C@@H]2CCCOC2)CC1 583623183 REWPHXKXXUOVKV-HOTGVXAUSA-N 354.447 1.507 0 40 FDAB O=S(=O)(N[C@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)C1CC1 96206258 YVBOFTZGPKYLRU-DOTOQJQBSA-N 358.504 1.118 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cccc(OC)c1Cl 585110742 PFCMJSQFFSXQSH-QGZVFWFLSA-N 354.834 1.645 0 40 FDAB CCCS(=O)(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C)C[C@H]2c1ccccc1 257264721 LVUAWVKVYNXJSJ-MLHJIOFPSA-N 352.500 1.507 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)n1 257241071 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356.382 1.020 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 47143879 KSDHXVNADXCXND-UHFFFAOYSA-N 351.881 1.231 0 40 FDAB COC(=O)C[C@@H]1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 1236699 JCYUUMUBOLWOBX-JTQLQIEISA-N 356.787 1.906 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1 41903652 BPWHHNHOLIWBNJ-WBMJQRKESA-N 360.476 1.327 0 40 FDAB O=C(N1CCOCC1)N1CCN(Cc2cc(-c3cccs3)on2)CC1 22548308 CEHZWJZTGJENLB-UHFFFAOYSA-N 362.455 1.973 0 40 FDAB CCCc1noc([C@H](C)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 22914353 KTTJELHAGIKUBN-ZDUSSCGKSA-N 362.434 1.636 0 40 FDAB O=S(=O)(NCC[C@@H]1CCNC1)c1ccc(F)cc1Br 104367245 LUOTULGZLRILKT-VIFPVBQESA-N 351.241 1.866 0 40 FDAB CCN(C(=O)COC(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1 4581503 PTKXHTQWVKGFKP-GFCCVEGCSA-N 371.480 1.429 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(Cl)cc2)n1 6593866 UKQWEQUNQHCOQT-UHFFFAOYSA-N 354.823 1.629 0 40 FDAB COCCN(CCOC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 47654042 AKTUQGSQTMSKFY-QGZVFWFLSA-N 350.459 1.871 0 40 FDAB CC(C)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 10534225 MIIBSKRFMZVILF-UHFFFAOYSA-N 369.439 1.810 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)COc2ccc(F)cc2F)CC1 24786871 VLTLCBIHACJUDU-UHFFFAOYSA-N 362.398 1.274 0 40 FDAB COc1cc(OC)cc([C@H](NC(=O)c2ccc[nH]c2=O)c2nccn2C)c1 24969927 RGWXDZSOXOKFBR-INIZCTEOSA-N 368.393 1.645 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1 12529462 TXKRYYUCKWKTDQ-CQSZACIVSA-N 356.407 1.479 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107327776 WBYNZFZKBYPXCB-HJPIBITLSA-N 361.442 1.704 0 40 FDAB CCN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCN1CCCC1)C2=O 57531497 SPBNYYLGAPUOLM-GOSISDBHSA-N 354.454 1.965 0 40 FDAB COCCn1nc(C)c(CNC(=O)c2[nH]c(C)c(C(=O)OC)c2C)c1C 58160191 CTKVOBMHIXFIPS-UHFFFAOYSA-N 362.430 1.808 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 58203028 VHRAMUXCTKNKFE-UONOGXRCSA-N 352.456 1.920 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NC[C@H]1CCCCN1Cc1ccccc1 58251115 JTZITYLEWFZBBR-QGZVFWFLSA-N 357.454 1.696 0 40 FDAB 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O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCCC1 5032401 XBZYVXCGCJXMDM-UHFFFAOYSA-N 372.816 1.312 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)NCc1cccs1 13945650 XYIMRGFNHWWJTG-UHFFFAOYSA-N 373.478 1.730 0 40 FDAB Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCC3 5246826 JWGBHQLAXOCJJW-VIFPVBQESA-N 361.423 1.537 0 40 FDAB CN(Cc1ccco1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6354422 XJNXZPSTXUXXHI-UHFFFAOYSA-N 356.334 1.077 0 40 FDAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCCO 4488098 OGKRFIDMOAGOGS-UHFFFAOYSA-N 370.471 1.047 0 40 FDAB Cc1ccc([C@H](N[C@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 97019961 BFIQOWGZHOQVOU-ROUUACIJSA-N 358.463 1.966 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 6678867 LGZIZMSGTKPRSQ-UHFFFAOYSA-N 359.407 1.892 0 40 FDAB Cc1cccnc1C(=O)N1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96149968 UKOUITIEKILGAE-AUUYWEPGSA-N 359.426 1.028 0 40 FDAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@H](C(=O)Nc3cccc(F)c3)N21 9304887 MKLARUYDIMNKLD-SNVBAGLBSA-N 350.375 1.187 0 40 FDAB Cc1ccc([C@@H](OC[C@@H](O)CN(CCO)CCO)c2ccccc2)cc1 6934336 PESGZSYNUJKTHH-SFTDATJTSA-N 359.466 1.749 0 40 FDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)C(N)=O 5919992 GSBIBKMEBNFHPD-RYUDHWBXSA-N 354.428 1.280 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 9544307 BEUYESQNMUQWPQ-UHFFFAOYSA-N 353.426 1.865 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cncc(Br)c1 8038239 VJCCAWGCZNEUJR-AWEZNQCLSA-N 360.211 1.897 0 40 FDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCCc1ccc(O)cc1 9530685 NUPFKBDOSNYOFH-UHFFFAOYSA-N 360.805 1.873 0 40 FDAB c1cc2n(n1)C[C@H](CCN1CCCCC1)CN(c1ccc3nncn3n1)C2 306133877 MYJNFQMRMCPMCI-MRXNPFEDSA-N 366.473 1.833 0 40 FDAB Cc1[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c(C)c1C(=O)OC(C)C 8745548 LFOAMBGTHSSSIV-UHFFFAOYSA-N 371.441 1.949 0 40 FDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccccc1 8708625 DABSYNQCRDRZNQ-QGZVFWFLSA-N 370.405 1.413 0 40 FDAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1 9691807 AKEZMHQIUCFSMW-UHFFFAOYSA-N 374.462 1.779 0 40 FDAB Cc1nn(-c2ccccn2)c(N)c1[C@](O)(c1nccn1C)C(F)(F)F 8725309 HDFALWFPPWUFQD-AWEZNQCLSA-N 352.320 1.690 0 40 FDAB CCCCn1c(N)c(N(CCC)C(=O)/C=C\c2ccco2)c(=O)[nH]c1=O 96600591 DQNOMQKFDULBBH-HJWRWDBZSA-N 360.414 1.968 0 40 FDAB CCCNC(=O)[C@@H](C)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466715 IXAJWPZFHWJVDU-CZUORRHYSA-N 366.893 1.399 0 40 FDAB CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)O 95969993 WACFBTAMZMVFSN-QLJPJBMISA-N 354.428 1.380 0 40 FDAB COC(=O)C(=Cc1cc(Br)ccc1OCC(=O)O)C(=O)OC 409048101 RIKDYTQLJHJTHZ-UHFFFAOYSA-N 373.155 1.642 0 40 FDAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 61971831 COGKOYWNFQSDTK-UHFFFAOYSA-N 373.453 1.271 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 408596177 TTYXYXUTLKDTET-GFCCVEGCSA-N 370.862 1.410 0 40 FDAB CC(C)n1cc(CN2Cc3ccnn3C[C@H](CN3CCCC3=O)C2)cn1 306128683 HIEFGPGQTZEPOR-KRWDZBQOSA-N 356.474 1.915 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 38671230 JJVQPIVHXNKBJW-UHFFFAOYSA-N 356.494 1.999 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)C1=NN(c2ccccc2)C(=O)CN1 32713630 QOBPIQCQYDZVDN-UHFFFAOYSA-N 366.377 1.024 0 40 FDAB Cn1nnc(-c2ccc(OCC(=O)N[C@@H](CO)c3ccccc3)cc2)n1 575443248 HWHCFRSYTJSEPS-INIZCTEOSA-N 353.382 1.106 0 40 FDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 40386749 WTTOBIWQETUJTK-SECBINFHSA-N 364.203 1.946 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC)cc2)s1 223121835 LIRJNIRMNOITFV-UHFFFAOYSA-N 356.429 1.374 0 40 FDAB O=C(c1cnc2cnc(Br)cn12)N1CCC[C@H](OCCO)C1 583650895 XBMBBIBIEYPCKX-JTQLQIEISA-N 369.219 1.105 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccccn2)C1 96083208 WFZVAABNLZELPB-IAOVAPTHSA-N 352.394 1.735 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)C(=O)N1C 96261579 KJCIXXPYCCIWIG-QIIPPGSGSA-N 361.467 1.736 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3ccccn3)C2)OC1 248084358 BAVNRQLEWYHLMT-MRXNPFEDSA-N 354.454 1.831 0 40 FDAB Cc1nn(C)cc1CCC(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257219715 DHWAQEZLYONFOS-ZHALLVOQSA-N 358.442 1.485 0 40 FDAB CNC(=O)c1cnn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 257272355 NCCFGRDWQCDHLH-UHFFFAOYSA-N 350.426 1.864 0 40 FDAB O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O)c1cscn1 257244289 IKRSTYNZFYRSQE-NMFUWQPSSA-N 352.387 1.344 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](C2CCN(C(=O)c3cccnc3O)CC2)N1 257225460 FGHCRPPOSJAHOU-NOLJZWGESA-N 360.414 1.074 0 40 FDAB CCCc1nnsc1C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 85436721 FBPCXSUYIINQHJ-ZDUSSCGKSA-N 350.444 1.575 0 40 FDAB CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@]2(O)C=C[C@@]3(C[C@H]2C(=O)O)[C@H]1C5 253505047 PHVHFUCWRHIUOT-GSUXMHKRSA-N 355.390 1.043 0 40 FDAB biogenic,in-vitro Cc1ncncc1C(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 257333916 YDRCSSSIAHEYFU-LJQANCHMSA-N 358.417 1.633 0 40 FDAB C[C@H]1CN(c2nccnc2CC2CCN(S(C)(=O)=O)CC2)C(=O)O1 257265017 LWXYTEGRHKPMJZ-NSHDSACASA-N 354.432 1.036 0 40 FDAB C=CC(=O)N(C)CC(=O)N1CCC[C@H](c2ncc(Br)cn2)C1 1634431858 AWBZVEDYLDOQAA-NSHDSACASA-N 367.247 1.590 0 40 FDAB CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C 1645152176 ULZWNLPZVHTKFT-HNNXBMFYSA-N 369.425 1.951 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1 640874707 LLWMRKMFDQYYPT-QRVBRYPASA-N 354.454 1.898 0 40 FDAB Cc1noc(C(F)F)c1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 648456111 ZHSUPVMRGSCNIY-SECBINFHSA-N 372.349 1.885 0 40 FDAB Cc1nnsc1C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390832175 XUPQKCUHFNGGFX-CYBMUJFWSA-N 351.453 1.849 0 40 FDAB Cn1nccc1C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 585107949 KUZDZHQPUMYNEV-DOTOQJQBSA-N 354.410 1.033 0 40 FDAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)NCCCn1nc(C)cc1C 585280069 ADNFMPKTIOTPGC-IAGOWNOFSA-N 350.463 1.280 0 40 FDAB CS(=O)(=O)Cc1noc(CN2CCN(c3ccccc3Cl)CC2)n1 72301915 SCFLIAYPYGSEBB-UHFFFAOYSA-N 370.862 1.590 0 40 FDAB O=C(c1cocn1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615117853 CVGQTIGOKCQMCU-UHFFFAOYSA-N 359.357 1.852 0 40 FDAB Cc1ccc(Cl)c(OCC(=O)OCc2nc(N)nc(N(C)C)n2)c1 11322154 FKLHVFNZGJCAGJ-UHFFFAOYSA-N 351.794 1.604 0 40 FDAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)C5CC5)CC4)ncnc32)cc1 11665781 LEMGLIQDZZRREO-UHFFFAOYSA-N 363.425 1.578 0 40 FDAB O=C1NC2=C(C(=O)N(CCCO)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12113441 DRVURSOTOKPGLC-CYBMUJFWSA-N 356.209 1.826 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1[C@H]2CC[C@@H]1Cc1nnsc12 19402120 MNPKCHSEWINYNS-HIFRSBDPSA-N 370.482 1.344 0 40 FDAB Cc1nnc(-c2cccc(NC(=O)Cn3ncc(N(C)C)cc3=O)c2)s1 19839132 OTMPLQFHLDREEB-UHFFFAOYSA-N 370.438 1.775 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)n(CC(=O)NCCC2=CCCCC2)n1 11930994 TZWAYMWOQZKJPX-UHFFFAOYSA-N 360.458 1.671 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238811221 AIZIECPDKXQNDH-QLFBSQMISA-N 361.423 1.214 0 40 FDAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-n2cccn2)cc1 253407911 WWWNUILNOGNZEY-XOKHGSTOSA-N 363.439 1.487 0 40 FDAB CC(C)CS(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888869710 UNFVDIIUOYDVPF-HUUCEWRRSA-N 362.499 1.927 0 40 FDAB CC(C)c1noc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 22751341 FVQONVYITOHBEG-UHFFFAOYSA-N 367.427 1.793 0 40 FDAB C[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CCO1 24014044 UVJYZYZZJMIKMW-JTQLQIEISA-N 360.195 1.950 0 40 FDAB CCN(CC)S(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 24472142 MEZGYIFDNCDESL-UHFFFAOYSA-N 368.503 1.266 0 40 FDAB NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 38934497 BTXUXKXDOWGVFW-UHFFFAOYSA-N 353.212 1.745 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CN3CCOCC3)C2)cc1C 2037912882 BCYQOWYIVRUORC-HXUWFJFHSA-N 362.470 1.368 0 40 FDAB COc1cc(C(=O)N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)on1 1614933601 PRRPZWLURYQIHQ-KZULUSFZSA-N 356.382 1.593 0 40 FDAB COCCN1CCCC2(CCN(C(=O)c3cc(OC)no3)CC2)C1=O 1565550198 UESIEFXFZSRQQZ-UHFFFAOYSA-N 351.403 1.174 0 40 FDAB Cn1ccc(CC(=O)N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)n1 1565542106 NAXDNJZVTZKNSE-UHFFFAOYSA-N 373.501 1.042 0 40 FDAB Cc1ccccc1NC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1C 4570961 HICBPDFQWTZRJP-UHFFFAOYSA-N 373.438 1.010 0 40 FDAB Cc1ccc(N2C[C@H](NC(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1C 5187438 BRDXZJDSAJSJGU-MRXNPFEDSA-N 373.453 1.957 0 40 FDAB Cc1ccc(OCC(=O)N2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771643 OIZLPFQDQDGOGF-FQEVSTJZSA-N 370.453 1.676 0 40 FDAB CSCC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1775968212 SHDPOLBIOCIQBK-AWEZNQCLSA-N 372.512 1.315 0 40 FDAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1ccco1)CSC2 23138928 JNCZZXUWYSKVEE-UHFFFAOYSA-N 350.400 1.238 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccccc1C 26455784 HWRDRZYOMKGCOU-QGZVFWFLSA-N 359.426 1.498 0 40 FDAB CCn1cc(S(=O)(=O)N2CCc3nc4ncccc4cc3C2)nc1C 1890663413 KXIUJEKVHIMDJW-UHFFFAOYSA-N 357.439 1.902 0 40 FDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C(=O)NC[C@@H]1C(C)(C)C 585149728 KPWSXNINTVMKOR-HZSPNIEDSA-N 367.490 1.863 0 40 FDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cnsn2)CC1 585148898 LHDZHXBAIORFTG-NSHDSACASA-N 362.411 1.383 0 40 FDAB Cc1nc(C)c(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 40089924 YTBKXEAKQVLXTE-ZDUSSCGKSA-N 366.425 1.730 0 40 FDAB CCCN(CCC)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40086227 ABHHSLRQOBWRCQ-GOSISDBHSA-N 369.531 1.844 0 40 FDAB CCCCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)s1 40093971 QJDDHHWLNLHQGN-UHFFFAOYSA-N 374.532 1.358 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1-n1cnnn1 31995712 LCQKSJIWGQPQFN-CJNGLKHVSA-N 358.427 1.363 0 40 FDAB Cc1cc(C(=O)NC2CCN(Cn3ncn(C4CC4)c3=S)CC2)no1 52084155 IMODTXAFVILLMH-UHFFFAOYSA-N 362.459 1.897 0 40 FDAB CC(C)c1noc(CS(=O)(=O)CC(=O)NCCOc2ccccc2)n1 32929947 OANNUPGVMBAZLO-UHFFFAOYSA-N 367.427 1.303 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Br 6222432 ZHPPUSPCAJHRPV-OXJKWZBOSA-N 350.168 1.254 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 6354367 JUGPPZMJVOASHL-ZENOOKHLSA-N 372.421 1.909 0 40 FDAB CN(CCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 54009034 HRNPUHJJOPLKAY-QGZVFWFLSA-N 360.458 1.156 0 40 FDAB Cc1ccncc1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108526953 LIXWGCSECYTYAH-OALUTQOASA-N 352.438 1.901 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57352372 VVIFHHAFEBTJHD-UHFFFAOYSA-N 372.391 1.032 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 100152505 CLBFLGWVCDRDMS-AWEZNQCLSA-N 360.263 1.433 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC)cc1 58201442 BSGSQCRTBKXPTO-CQSZACIVSA-N 353.444 1.324 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 24256849 XARJPYJCSHTNQA-UHFFFAOYSA-N 374.462 1.980 0 40 FDAB O=C(c1cscn1)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100754123 VICKPGIQKNCSKH-NHYWBVRUSA-N 357.439 1.672 0 40 FDAB Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n(CC(C)C)c1C 27927989 OVLQROPKUXEART-UONOGXRCSA-N 373.544 1.940 0 40 FDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(C)c1 20801342 ANIUPIGGXJOUQI-DLBZAZTESA-N 372.469 1.339 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 12849490 IHBPWNDVPCFJAH-AWEZNQCLSA-N 374.466 1.811 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 3561322 IASALYQKDYBDFO-VOTSOKGWSA-N 364.398 1.965 0 40 FDAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 13061177 QJCOUEJGLFIFIM-CQSZACIVSA-N 368.437 1.991 0 40 FDAB Cc1ccnc(-n2c(C)c(C)c3c(=N)n(CCN4CCOCC4)cnc32)c1 13692327 CSUGGLYEMVKQCF-UHFFFAOYSA-N 366.469 1.959 0 40 FDAB COc1ccc(NC2=NC(=O)[C@H](CC(=O)NCCc3ccccc3)N2)cc1 13722470 CGEBUHGHKZCCGQ-KRWDZBQOSA-N 366.421 1.711 0 40 FDAB Cc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)N1CCOCC1 6286113 BXNWGJKDDZJNMN-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB CCN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)[C@H]1CCS(=O)(=O)C1 6422034 LMUVRXJUPIHWKA-NSHDSACASA-N 374.846 1.115 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3Cl)c2c1 14351856 NOQFDGVVWODXAY-UHFFFAOYSA-N 366.830 1.964 0 40 FDAB Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(C)c(=O)c2c1C 6886597 QCHLFHKKBLZBHA-NSHDSACASA-N 367.496 1.999 0 40 FDAB COc1cccc(C(=O)N[C@@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002944 PJNWNELONCZBRN-MRXNPFEDSA-N 356.426 1.787 0 40 FDAB CCNC(=O)CNc1cc(OCC)c(N2CCOCC2)cc1OCC 9314836 RXTRNWPVSJISKZ-UHFFFAOYSA-N 351.447 1.869 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 8131423 AUBXOOMMWHZBKL-IBGZPJMESA-N 372.425 1.182 0 40 FDAB COc1ccccc1CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 8128472 ROWQEUIPRKDVBJ-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 70019520 UQKIMOZEEDSULR-HNNXBMFYSA-N 368.455 1.352 0 40 FDAB COCCNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768301 NLXCIKVLKRSWEQ-UHFFFAOYSA-N 354.370 1.571 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2cccnc2)C1 97015854 VKZSQLKHMOYPQK-AWEZNQCLSA-N 362.407 1.695 0 40 FDAB CN(C)CCCCN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 72313992 AGMGJUQVUOGXOE-UHFFFAOYSA-N 356.492 1.213 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC=C(c2cncc(F)c2)CC1 95983128 GZEZIAPXPVGYCD-HNNXBMFYSA-N 370.471 1.757 0 40 FDAB CCCCn1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 9953383 FUJSGUTVMGEOJZ-GFCCVEGCSA-N 363.439 1.114 0 40 FDAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NC2CCCC2)c(=O)c1CCO 67316712 KVCOVGQOTPSQHB-UHFFFAOYSA-N 373.428 1.951 0 40 FDAB CN1[C@H](C(=O)O)C[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(F)c1F 67740816 ABYVGLNGSFKRST-WHOFXGATSA-N 354.353 1.270 0 40 FDAB COC(=O)[C@H](Cc1ccncc1)NC(=O)Cc1cccc(NC(C)=O)c1 518998700 MGAAVKOLHWELND-KRWDZBQOSA-N 355.394 1.483 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 218247615 GQNPPNGUONNVQO-ZIAGYGMSSA-N 354.424 1.618 0 40 FDAB CC(=O)N1CCC(N2CCN3C(=O)N(Cc4cccnc4)C[C@H]3C2)CC1 77266584 QCFFCBOIVPZITF-GOSISDBHSA-N 357.458 1.014 0 40 FDAB biogenic,in-vitro CC(C)c1cccc(S(=O)(=O)NCCCCn2cc(C(=O)O)nn2)c1 563355049 BYJCDENNORNBEZ-UHFFFAOYSA-N 366.443 1.858 0 40 FDAB O=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccc2F)CC1 40039689 YFPXBJOQMCLXSC-UHFFFAOYSA-N 352.369 1.796 0 40 FDAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3nncn3c2)cc1 49408265 CPVRDDZZKYDKMM-UHFFFAOYSA-N 374.422 1.660 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nnnn2-c2ccc(F)cc2)C1 85879708 MXGKWXINMZWZLV-KGLIPLIRSA-N 366.400 1.582 0 40 FDAB biogenic C[C@H]1CN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C[C@@H](C)O1 77100425 SFMGVWKCCBEWBZ-AOOOYVTPSA-N 371.319 1.810 0 40 FDAB O=c1ccc(-c2ccco2)nn1CN1CCn2nc(C(F)(F)F)nc2C1 96125514 GSDCKOZRKSPTLP-UHFFFAOYSA-N 366.303 1.587 0 40 FDAB Cc1cccc(CN2C[C@@H]3[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]3C2)c1 96082961 MLULJTOUNJIWFK-GVDBMIGSSA-N 350.484 1.318 0 40 FDAB CSCC[C@H](NC(=O)c1ccn2nnnc2c1)c1nnc2ccccn12 96118670 MSKKDPLHNLEAGF-LBPRGKRZSA-N 368.426 1.391 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CCn2nnc(COc3cccnc3)c2C1 96256015 IFIOWHMUJNCRQF-UHFFFAOYSA-N 367.384 1.976 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)CN1S(C)(=O)=O 96208256 LYGZCUPVAWODOM-ZDUSSCGKSA-N 356.444 1.182 0 40 FDAB CCCn1cc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257297086 RFTNMYJRACQYIC-AWEZNQCLSA-N 363.487 1.964 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257235326 GXIQLPTUNNQHJJ-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB CN(CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1)Cc1cccnc1 257246166 ISVJLDPNFCJGEL-KRWDZBQOSA-N 355.442 1.861 0 40 FDAB CCn1nccc1-c1cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccn1 257260361 LCNUTODNIUHEEF-OAHLLOKOSA-N 363.487 1.951 0 40 FDAB Cc1nc(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)sc1C 257265086 LXHKNYGNCADJKI-SFHVURJKSA-N 373.482 1.613 0 40 FDAB COCCOc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ccn1 253472308 LHSXDNBNIITBMV-UHFFFAOYSA-N 365.411 1.731 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1c1ccc2c(c1)OCO2 91656687 ABRCEQJFTOZBJG-UONOGXRCSA-N 374.393 1.054 0 40 FDAB NC(=O)C1(c2ccccc2)CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 604392631 WBGGBEQBXCWZPO-AWEZNQCLSA-N 369.387 1.669 0 40 FDAB O=C1N[C@H](c2ccccc2)CCN1CC(=O)N1CCC[C@H]1Cn1ccnn1 614619297 JSSYAHQKYWRQOH-IRXDYDNUSA-N 368.441 1.426 0 40 FDAB C[C@@H]1NC(C(=O)NC(C)(C)[C@H]2CCCCO2)=NN(c2ccccc2)C1=O 1643926786 MYGCVLCXRJYBHC-DZGCQCFKSA-N 358.442 1.789 0 40 FDAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(OC2CCC2)cc1 629573317 FHYHNUVAVFVBHI-CQSZACIVSA-N 368.455 1.008 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(F)cc2Br)C1 643994995 VAGFRIBDBWNIPF-CQSZACIVSA-N 359.195 1.431 0 40 FDAB C[C@H]1C[C@H](CCNC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)C[C@@H](C)O1 644501816 VJBRSTCZWSHKKV-RCJHGTSTSA-N 369.506 1.595 0 40 FDAB COc1cc(N2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)ncn1 585095281 NFACUQAOCGKUMZ-HNNXBMFYSA-N 373.457 1.418 0 40 FDAB COC(=O)N(C)CC(=O)Nc1ccc(OC)c(OC[C@H]2CCCO2)c1 48152065 VXRYFFJUMDMBIU-CYBMUJFWSA-N 352.387 1.890 0 40 FDAB CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H]3C(N)=O)cs2)cc1 102949474 ITHVMSUMWWYXMN-AWEZNQCLSA-N 365.480 1.663 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccc(F)cc1 5873896 BVJVGPCZVQAZGB-UHFFFAOYSA-N 350.346 1.612 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)C(=O)O1 19460943 USVGJAUHMFYRSI-XJKSGUPXSA-N 372.469 1.908 0 40 FDAB CCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cn1 19525105 YURMFVSQWNDNEJ-UHFFFAOYSA-N 356.492 1.216 0 40 FDAB O=C1COc2ccccc2CCCCC2(CCNCC2)C(=O)NCCN1 618016785 BFYBNMDAJLIBMS-UHFFFAOYSA-N 359.470 1.394 0 40 FDAB COc1ccc(/C=C(\CS(=O)(=O)O)c2cc[n+](CCO)cc2)cc1 33376487 YVPVVUHDWWBLJG-FOWTUZBSSA-O 350.416 1.403 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(Br)s1 29166608 MXWQRGMEAODYAQ-QMMMGPOBSA-N 366.306 1.917 0 40 FDAB O=C(Cn1ccccc1=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 1565553127 LGVRRQAEMMKXPX-OXQOHEQNSA-N 368.437 1.506 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 10330974 XFQKSZPQTHQUQD-CYBMUJFWSA-N 359.382 1.408 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C1 12236096 BAGSSCFTJVEGKU-NWDGAFQWSA-N 351.428 1.082 0 40 FDAB CCOCC(=O)N1CC[C@@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055746495 NZMOGPSILVTVIB-SFHVURJKSA-N 367.421 1.008 0 40 FDAB O=C(c1ccccn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773083 UDVMHPKTBKQAHT-UHFFFAOYSA-N 353.426 1.436 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(C(=O)CCc1ccc[nH]1)C2)N1CC(F)(F)C1 2055756446 OGRYBCDOFJSLSY-DYVFJYSZSA-N 367.396 1.290 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC[C@@]2(C[C@H](n3cnnc3)CO2)C1 2055837521 YKGDVYJLTPRGAO-SCLBCKFNSA-N 353.382 1.595 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](COc2ncccn2)C1 1775967933 HEALEQNSEFLAKL-CQSZACIVSA-N 365.459 1.307 0 40 FDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc(C(F)(F)F)nc1 575619197 INGCMQBJSZNJES-UHFFFAOYSA-N 352.316 1.965 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3cccs3)o2)C1=O 575609490 WJGIFAPRFYCYJV-UHFFFAOYSA-N 369.424 1.915 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@H](C)CCc1ccccc1 12390789 FRVJODYFAOWOTR-CYBMUJFWSA-N 353.426 1.796 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCc2nc(C(C)C)no2)CC1 30842217 FBNWHGKMJQMRCM-UHFFFAOYSA-N 358.464 1.056 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 31687143 FXVHYWDYCTYIEK-MRXNPFEDSA-N 373.409 1.612 0 40 FDAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccc(=O)[nH]c1 51420362 CMRICSCDVFMDCZ-UHFFFAOYSA-N 366.421 1.914 0 40 FDAB CCOc1cc(CNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)ccn1 101246281 IFWRNURCSITLTL-INIZCTEOSA-N 367.405 1.616 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1sccc1C(N)=O 41624457 ARFRAPPFKPWCLY-DRZSPHRISA-N 365.455 1.592 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N(CCc3cccc(F)c3)C3CC3)cnc21 70958884 UGXDQQMNDGPKKI-UHFFFAOYSA-N 369.400 1.503 0 40 FDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 18708577 HRFSKVBKHYEOIQ-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(N)=O 22571218 GTFVOWNYGLFTLW-SNVBAGLBSA-N 366.370 1.657 0 40 FDAB COC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)C1CCCCC1 4270756 FZDYLJIFSHFKAZ-MRXNPFEDSA-N 359.426 1.488 0 40 FDAB biogenic,in-vitro O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ncccn2)CC1 23382252 LWZHMEZEYBHEBF-UHFFFAOYSA-N 358.446 1.201 0 40 FDAB O=C(CN1CSCC1=O)Nc1cccc(I)c1 7264816 BOPKECOCJRTPOH-UHFFFAOYSA-N 362.192 1.763 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1Cl 95357356 XSQKTBQKNKRPFO-UHFFFAOYSA-N 364.877 1.519 0 40 FDAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(C)CC1 8090049 WZLIECGBJZYGER-UHFFFAOYSA-N 359.499 1.755 0 40 FDAB O=C(Cn1cnc2cc(F)ccc2c1=O)NC[C@H]1COc2ccccc2O1 8327562 HNNVNYPEKSVVSP-ZDUSSCGKSA-N 369.352 1.492 0 40 FDAB CCn1c(SCC(=O)NC(=O)c2cccn2C)nnc1-c1ccco1 8620083 AQVNVYCJDLHMNB-UHFFFAOYSA-N 359.411 1.945 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1c[nH]c2ccccc12 104279858 KSCZIIPJSOVNCQ-QGZVFWFLSA-N 364.409 1.694 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1 3211026 ARJYCHNFBBUCJM-OKILXGFUSA-N 352.456 1.721 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 58381369 VLWXAMHMBFSHPL-UHFFFAOYSA-N 365.393 1.570 0 40 FDAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)CCO 84637353 FYSWSIPLKQMAEE-JSGCOSHPSA-N 354.472 1.434 0 40 FDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccccc1OC 57731073 KOVCPRFBEPXUKE-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB C[C@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCNC1=O 57958386 KEOPKTTZSMOARZ-AWEZNQCLSA-N 362.499 1.630 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(c2cnccn2)C1 48236936 CKDPTABBKJLYOC-GFCCVEGCSA-N 350.386 1.512 0 40 FDAB O=C(CNC(=O)C1CC1)NCc1cccc(NC(=O)c2ccccn2)c1 58163154 CJEIRAUMDGUMCL-UHFFFAOYSA-N 352.394 1.476 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)NCC2(c3ccccc3)CC2)CC1 58208553 ZPDHCSMQEOWNFH-UHFFFAOYSA-N 365.499 1.689 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccoc1 58393904 GMTHYHLWSXMRKK-CQSZACIVSA-N 365.430 1.915 0 40 FDAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NCC[C@H]1CCCO1 58421118 BZOKBBKOGVHIKC-RCMYXZNBSA-N 364.467 1.925 0 40 FDAB COc1ccc(-n2cnc3cc(C(=O)NCCO)ccc3c2=O)cc1Cl 36366943 QLYANQQBGNSRBD-UHFFFAOYSA-N 373.796 1.770 0 40 FDAB COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NCC(F)(F)F)cc1 11428714 JNYOERGAJGEUEB-SECBINFHSA-N 362.304 1.035 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 11615494 WAADQKPMWKLMHM-UHFFFAOYSA-N 357.435 1.624 0 40 FDAB O=C(CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)NC1CCCC1 13237512 ONLFXSOOTGCHIB-INIZCTEOSA-N 372.425 1.522 0 40 FDAB COc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=N)c2cc1OC 4014685 PGWFKNACXPEQMF-UHFFFAOYSA-N 364.471 1.918 0 40 FDAB CCCN1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 71328252 MGMHGDBIOFEKDK-UHFFFAOYSA-N 361.471 1.424 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)nc3ncnn3c2O)c1 13690416 QMAKCEWVCYOLHY-UHFFFAOYSA-N 354.370 1.668 0 40 FDAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccco1 4250343 ROONOKYEQMPJCQ-LBPRGKRZSA-N 369.377 1.697 0 40 FDAB O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)NCC2(O)CCCC2)C1 96000230 SMZZXWKYGCKJGW-INIZCTEOSA-N 366.483 1.516 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccno2)c1 6584916 BTHADWKDZLRSQH-UHFFFAOYSA-N 353.400 1.966 0 40 FDAB Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 66053576 DAENSWZGFANEMY-RCCFBDPRSA-N 368.437 1.958 0 40 FDAB O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)NCc2ccc(Cl)cc2)N1 6759849 OPAWKRDPDFMHHA-OLZOCXBDSA-N 367.858 1.136 0 40 FDAB Cc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N(C)C 7141096 FGDMSVFRVRUVOK-UHFFFAOYSA-N 355.445 1.094 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnnn1-c1ccccc1 7339970 QXANKOCASLNBGK-ZDUSSCGKSA-N 363.443 1.458 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2F)C1 7436827 JZDLLQCJLNNMOA-GFCCVEGCSA-N 351.378 1.749 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2CN(CC3CCCC3)Cc3ncn(C)c32)cn1 306123299 AJMSIBJESXKLGF-QGZVFWFLSA-N 368.485 1.924 0 40 FDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 9514181 ANXYSOBRKOKMPA-UHFFFAOYSA-N 374.422 1.786 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccncc2)C1=O 8023917 HZTHUGCNOYATNU-IBGZPJMESA-N 352.394 1.555 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8065505 CEWYORZIMBNIFF-MRVPVSSYSA-N 361.229 1.708 0 40 FDAB COCCCOCCN(C)C(=O)c1nn(-c2ccccc2F)cc1O 91154076 ZQONTZUOFVIHAZ-UHFFFAOYSA-N 351.378 1.842 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)NC(C)(C)C1=O 8194568 QECCPSOXAKEFTJ-LBPRGKRZSA-N 360.414 1.181 0 40 FDAB CCOC(=O)c1cnn(CCN2CCC[C@H](c3noc(C4CC4)n3)C2)c1N 95402224 HMBSKORZUSTPEJ-ZDUSSCGKSA-N 374.445 1.782 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccn3)CC2)c1 9945351 BIBKCFNZERUEHJ-UHFFFAOYSA-N 374.466 1.606 0 40 FDAB CC(C)[C@@H](C(=O)NCCOc1cccc(F)c1)N1CCCS1(=O)=O 89791067 CPBQZXXABLKQMY-HNNXBMFYSA-N 358.435 1.381 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N[C@H]3COc4ccccc4C3=O)ccc21 89954552 BCAKTCWMSLPKEK-INIZCTEOSA-N 350.374 1.969 0 40 FDAB O=c1c2cnc(N3CCSCC3)nc2nc(O)n1-c1ccc(F)cc1 67264274 IMHVUIGFQMXFGA-UHFFFAOYSA-N 359.386 1.574 0 40 FDAB CCCCc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3C(N)=O)ccc12 32124084 BSBFKNMKIFCNEU-INIZCTEOSA-N 372.421 1.991 0 40 FDAB biogenic C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 32803308 OBVVBSYUQKOBBZ-CYBMUJFWSA-N 354.472 1.750 0 40 FDAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408596272 RWPCZYGQJRKMME-ZDUSSCGKSA-N 356.488 1.847 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1 32611779 XRZKHBIKKJYVNA-UHFFFAOYSA-N 357.391 1.255 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)CNC(=O)c3cnccn3)c2c1 72325726 KPQSNZPKDHSSSO-UHFFFAOYSA-N 353.382 1.055 0 40 FDAB biogenic CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@H]2Cc3ccccc3O2)c1 30443683 OTJUBRHTEUJPAM-GOSISDBHSA-N 374.462 1.993 0 40 FDAB O=C(O)C[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 223128289 CHXPLOJUAHHTOK-CYBMUJFWSA-N 360.439 1.835 0 40 FDAB CS(=O)(=O)N[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 225950265 ZWCMBPKCOWLDBH-KBPBESRZSA-N 360.863 1.616 0 40 FDAB S=C(NCCN1CCOCC1)Nc1ccc(Oc2ccccc2)nn1 225189201 SAZJQVWDTZHOPO-UHFFFAOYSA-N 359.455 1.888 0 40 FDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2nnc3n2CCC3)C1=O 48279459 MAUIOZARUNFKNJ-GFCCVEGCSA-N 355.398 1.045 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1 225374507 UMNYUNHMBQKYCE-UHFFFAOYSA-N 365.411 1.565 0 40 FDAB O=C(Cn1cc(COc2ccccc2F)nn1)NCCCn1ccnc1 227167914 KFXGAIOUXFLCLY-UHFFFAOYSA-N 358.377 1.399 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O 96046918 WEZDNXVHADHRFL-UHFFFAOYSA-N 357.454 1.849 0 40 FDAB O=C(c1cncc(Br)c1)N1CC[C@@H](Oc2cnsn2)C1 618257453 WRIMJQWNCQKVEI-SNVBAGLBSA-N 355.217 1.989 0 40 FDAB CC(C)CNC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 583622106 OFXQIXOTAQHHEV-CQSZACIVSA-N 355.442 1.656 0 40 FDAB CC(C)c1nc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)n[nH]1 96105665 UUBBFOVYRRDFOI-GFCCVEGCSA-N 356.386 1.398 0 40 FDAB biogenic COC[C@H]1CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1C 96207570 MWFZXQNQTYJSFC-OAHLLOKOSA-N 356.463 1.947 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247817691 CBOGQKCBQHWNSF-LJQANCHMSA-N 365.437 1.751 0 40 FDAB Cc1nc(C)c(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)s1 257292256 QKROAZFWUYORKF-JTQLQIEISA-N 354.457 1.516 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2N(C)C)C1 257286974 PNWNLEIURTUUOO-AWEZNQCLSA-N 355.508 1.384 0 40 FDAB COCC(=O)N1CCC(c2cncc(-c3cncc(C(=O)O)c3)n2)CC1 257224351 FBLNBRXUQDMKPV-UHFFFAOYSA-N 356.382 1.589 0 40 FDAB O=C(N[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1O)c1cnccn1 257343134 ZRPUBPHHQYJLCM-HUUCEWRRSA-N 350.781 1.244 0 40 FDAB O=C1N[C@]2(C(=O)N[C@@H]3C[C@]4(CCOC4)Oc4ccccc43)C[C@H]3C[C@@H]1[C@H]2C3 1121226526 POKZXEWNURHTRJ-CTYOOBGJSA-N 368.433 1.700 0 40 FDAB CN1CCN(c2ccncc2NC(=O)c2ccc(OCC(=O)O)cc2)CC1 663063686 YCNNKRHKSHXMQD-UHFFFAOYSA-N 370.409 1.549 0 40 FDAB C[C@]1(C2CCN(C(=O)CNc3cccc(Cl)c3)CC2)NC(=O)NC1=O 673968248 YQDGDCMPIXXGDG-QGZVFWFLSA-N 364.833 1.589 0 40 FDAB Cn1cc([C@@H](O)CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 96096533 ROULHDWEOQGFRY-SFHVURJKSA-N 369.396 1.783 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCc1c(C)oc2ccccc12 661032629 XKQXZTDTBJFGEV-HOCLYGCPSA-N 366.439 1.395 0 40 FDAB C[C@@H]1CCN(C(=O)COC(=O)[C@H]2COCCO2)c2ccccc2S1 46307264 NMXKYKUVJWAGCH-TZMCWYRMSA-N 351.424 1.863 0 40 FDAB CCOC(=O)c1sc2ncn(Cc3ccn(C)c(=O)c3)c(=O)c2c1C 53449471 WDFQHANGOGXMMY-UHFFFAOYSA-N 359.407 1.690 0 40 FDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)COCC(=O)O 1775963908 JHTQIJRCNKUTHH-QMCVQRASSA-N 374.437 1.277 0 40 FDAB biogenic,in-vitro CCOc1ncc(C2(O)CCN(C[C@H]3CCOC3)CC2)c(OCC)n1 12186403 NMHNNMXUTXBMKT-CQSZACIVSA-N 351.447 1.594 0 40 FDAB Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 13570415 XPAPHGMNCROKTG-LURJTMIESA-N 350.741 1.498 0 40 FDAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 13581460 YJPLQDQIFJULBJ-UHFFFAOYSA-N 372.487 1.882 0 40 FDAB COc1cc(C)c(NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC 15948794 AGMXKQOEKXAHPV-UHFFFAOYSA-N 350.396 1.912 0 40 FDAB O=C(CCC1CCCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404482 LMUMMHPEFMENPU-HNNXBMFYSA-N 356.474 1.990 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c(C)c1C 19556522 GRZZAZHUCWEPJA-INIZCTEOSA-N 368.485 1.602 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2cn(C)nc2C)[C@@H](C)C1=O 19658834 NJRHWEBGVKRNOY-AWEZNQCLSA-N 371.441 1.413 0 40 FDAB Cc1nc2c(c(N3CCC(NC(=O)CN4CCOC4=O)CC3)n1)CCCC2 225739143 OUQCTRIMPNTONX-UHFFFAOYSA-N 373.457 1.201 0 40 FDAB CC(C)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C(=O)O 530135015 SUAOJJUKTKEUKZ-AWEZNQCLSA-N 366.439 1.300 0 40 FDAB Cc1cc(OC2CCN(C(=O)Cn3cnc(C)c(C)c3=O)CC2)nc(C)n1 390826260 GPZIBHFLHWRVGF-UHFFFAOYSA-N 371.441 1.337 0 40 FDAB COc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1OC 5078587 AWOGFKFLLCUSHX-UHFFFAOYSA-N 359.378 1.925 0 40 FDAB CSc1nc(C2CC2)cc(N2CCN(c3ccc(=O)n(C)n3)CC2)n1 2086884814 LODROZHOKXNHRK-UHFFFAOYSA-N 358.471 1.496 0 40 FDAB Cn1ccc(CC(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)n1 1565546788 AHHLMHBQSSXEJB-INIZCTEOSA-N 370.457 1.405 0 40 FDAB C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)CC[C@]12CC[C@@H](C(=O)N(C)C)O2 1565546903 GWGHSCHPQYPTSR-ACWOFJMJSA-N 363.433 1.638 0 40 FDAB CCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O 4370551 AQKVGSPBEPYTAK-UHFFFAOYSA-N 355.373 1.914 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(C3CCCCC3)o2)C1 13790708 ZWWCNMSNPOTBTO-GFCCVEGCSA-N 356.448 1.727 0 40 FDAB Cn1cc(-c2nccnc2CNC(=O)Cc2ccc3c(c2)OCO3)cn1 575621116 YICASBARHSCZLK-UHFFFAOYSA-N 351.366 1.465 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc1 30434599 AYWDQAOZQHPLFI-UHFFFAOYSA-N 358.398 1.826 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 32295609 WGYDMFDJGSIYNH-CQSZACIVSA-N 367.453 1.502 0 40 FDAB CN(C)CCCNc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 101691323 YTQLTUAXYYTUQB-UHFFFAOYSA-N 360.433 1.112 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccccc1OC(F)F 32689043 ULKKQSFIYMWTLQ-UHFFFAOYSA-N 353.281 1.180 0 40 FDAB CSc1nc2nc(C)c(CCC(=O)O[C@@H]3C[C@@H](C)OC3=O)c(C)n2n1 32739662 UCMGCNZJVZHEBC-PRHODGIISA-N 364.427 1.643 0 40 FDAB CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2C[C@@H]1C 32917498 DFHXGQSEULUZCM-MEDUHNTESA-N 368.455 1.762 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 8945697 QRTFBELXIJOAJX-BEFAXECRSA-N 359.426 1.529 0 40 FDAB O=C(Cc1ccccc1Cl)N1CCN(c2ncnc3[nH]cnc23)CC1 12322182 PUXSXNIAYZVIHF-UHFFFAOYSA-N 356.817 1.898 0 40 FDAB O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCC1 1333298 PPUQTRJVVLFHFJ-UHFFFAOYSA-N 358.485 1.646 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 22871292 RQWGEUZZMVASKK-AWEZNQCLSA-N 363.458 1.895 0 40 FDAB COCCOc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1 23148613 CRGFQZJTPUFMRQ-UHFFFAOYSA-N 356.444 1.001 0 40 FDAB Cn1c(CN2CCN(Cc3ccc(Cl)s3)CC2)cc(=O)n(C)c1=O 23248501 QWXBATRWLFEOIO-UHFFFAOYSA-N 368.890 1.117 0 40 FDAB O[C@@H]1[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H](OCc2ccccc2)[C@@H]1O 4530739 LEJLVYJUXVHIJN-CFSBILQPSA-N 358.390 1.764 0 40 FDAB CCN(CC)C(=O)Cn1nc(S(C)(=O)=O)nc1-c1ccc(Cl)cc1 4770816 CXFDBQIKUVVDJX-UHFFFAOYSA-N 370.862 1.870 0 40 FDAB CCCCCn1c(CN2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4930341 DMDRTXCSBDQHEX-AWEZNQCLSA-N 361.490 1.856 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccco3)cc2)CCN1 84432181 BMQSFQBMFQQJPU-HOTGVXAUSA-N 367.405 1.272 0 40 FDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 101342651 BUSNJYUATAMIJI-OCCSQVGLSA-N 362.748 1.814 0 40 FDAB O=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1COc2ccccc2O1 8327565 CGGCBVZKFGWGRP-LLVKDONJSA-N 357.391 1.414 0 40 FDAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccco1 58202811 VCGYUDBQNUNQQQ-OAHLLOKOSA-N 365.455 1.740 0 40 FDAB S=C(NCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 25391157 ANHZFWMMEHONEN-UHFFFAOYSA-N 368.934 1.669 0 40 FDAB C[C@H](O)CNS(=O)(=O)c1cc(Br)ccc1Br 35119225 MURWYPOXWYKQHF-LURJTMIESA-N 373.066 1.871 0 40 FDAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24675967 KTPFODWKIPAVIL-OAHLLOKOSA-N 354.472 1.613 0 40 FDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1 12634261 FMIAGNGDAGXPDJ-IBGZPJMESA-N 350.422 1.969 0 40 FDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc[nH]c1=O 48280680 BUOQVPAWWYTJGP-UHFFFAOYSA-N 364.199 1.265 0 40 FDAB CCOc1ccc(NC(=O)c2ccc[nH]c2=O)cc1S(=O)(=O)N(C)C 22383906 IFHNNBSGGFKQKJ-UHFFFAOYSA-N 365.411 1.276 0 40 FDAB N=C(NCCS(=O)(=O)N1CCc2ccccc21)NCc1ccccc1 58185366 LKLVUJPNALLDTD-UHFFFAOYSA-N 358.467 1.693 0 40 FDAB CC(C)N1CCC[C@H](CNC(=O)CCn2nnc3ccccc3c2=O)C1 58342924 OFQWOLQIGXSUGJ-OAHLLOKOSA-N 357.458 1.418 0 40 FDAB O=C(CCN1C(=O)CCC1=O)N1CCCN(Cc2ccccc2F)CC1 58304708 CQQFDYXCQCRPMJ-UHFFFAOYSA-N 361.417 1.399 0 40 FDAB CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 3316903 GGCXWKDWOGLSNQ-UHFFFAOYSA-N 356.444 1.400 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc3nnn(O)c3c2)cc1 3372788 LIRHMUVUKONGBW-UHFFFAOYSA-N 354.322 1.667 0 40 FDAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1-c1ccc(O)nn1 29506781 IPQFGCIXUODGMI-UHFFFAOYSA-N 364.409 1.639 0 40 FDAB COc1cccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 14094035 GHROERQZRVNWHM-UHFFFAOYSA-N 360.366 1.829 0 40 FDAB COC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 9314864 LRMJXHBCSQRTNE-ORAYPTAESA-N 361.442 1.728 0 40 FDAB COc1ccccc1C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F 6914847 IYUBRIITUXIREK-UHFFFAOYSA-N 367.354 1.521 0 40 FDAB C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)n1cnc2c1c(=O)n(C)c(=O)n2C 9367228 BOASJMYROCHNFX-JIEKGTPASA-N 370.453 1.780 0 40 FDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 408592240 JNCBRYIMLAPWPD-CQSZACIVSA-N 362.451 1.721 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2ccccc2F)CC1 7086290 HSLLOKUNUFSIEJ-UHFFFAOYSA-N 372.425 1.946 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 81700955 MKQVRVKGQWLMMC-LPHOPBHVSA-N 354.406 1.590 0 40 FDAB COC(=O)Cc1c(C)nc2nc(NCc3cccc(OC)c3)nn2c1O 16995057 VAUDLMCIEYEWIU-UHFFFAOYSA-N 357.370 1.475 0 40 FDAB COc1cccc(S(=O)(=O)NC(=O)[C@@H]2CC(c3ccccc3)=NO2)c1 69367649 IUVBKMICUVJMSG-INIZCTEOSA-N 360.391 1.693 0 40 FDAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1CCc1ccccc1 17057117 DMYDHSNULWPSNS-SFHVURJKSA-N 363.417 1.720 0 40 FDAB biogenic CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2cccc(F)c2)c1=O 18081173 VDDCZVVTXCJXKH-UHFFFAOYSA-N 369.396 1.981 0 40 FDAB Cn1ccc2c(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cccc21 72404042 MZZCKQDJZGFQIP-UHFFFAOYSA-N 369.402 1.962 0 40 FDAB CC(C)N(CC(=O)OC(C)(C)C)C(=O)COc1ccc(CC(N)=O)cc1 95980281 CZQRZUYWWIPIQI-UHFFFAOYSA-N 364.442 1.672 0 40 FDAB O=C(CNc1ccccc1Cl)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 89814341 OYJFLBGJVULDNH-MGPLVRAMSA-N 350.806 1.246 0 40 FDAB Cc1nnc(CN2C[C@@]3(F)CN(Cc4c(C)noc4C)C[C@@]3(F)C2=O)o1 306125879 DEOFJAPLGQTFPQ-JKSUJKDBSA-N 367.356 1.257 0 40 FDAB Cc1noc([C@H]2CCN(C(=O)NCc3cc4ccccc4n(C)c3=O)C2)n1 568946208 BYZYCOJZUXFXAC-AWEZNQCLSA-N 367.409 1.929 0 40 FDAB COCCNC(=O)CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21 72335736 XTZSHZYNMZCMFM-UHFFFAOYSA-N 350.806 1.495 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)c1 46811546 HZUIBPHMHUXWLH-CYBMUJFWSA-N 351.428 1.793 0 40 FDAB C[C@@]1(C(=O)N2CCOCC2)CC(c2cnc(-c3ccccc3)nc2)=NO1 226083035 CIVPAXRADLRMMV-IBGZPJMESA-N 352.394 1.886 0 40 FDAB COCCNC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225540189 JNTYALHUWWOLLW-UHFFFAOYSA-N 370.471 1.175 0 40 FDAB COCCCS(=O)(=O)N1CCN(C(=O)Cc2ccsc2C)CC1 330943901 FVSSQRZAIAETCZ-UHFFFAOYSA-N 360.501 1.110 0 40 FDAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC2CC2)C1 96253030 XAINLVMRIQUKIU-FGTMMUONSA-N 357.454 1.820 0 40 FDAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223262 OIFHABODHYNMKE-MAUKXSAKSA-N 357.389 1.887 0 40 FDAB CCc1ccc(CN2CCCn3c(nc(Cn4cncn4)cc3=O)C2)o1 96068117 HIDGPIWSVLFDEJ-UHFFFAOYSA-N 354.414 1.444 0 40 FDAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(c1ncccn1)CC2 96260436 VHTFPHMOMVFQNJ-UHFFFAOYSA-N 354.458 1.999 0 40 FDAB Cn1ccnc1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 248129604 MWUNEQGKGBIDTH-AWEZNQCLSA-N 356.430 1.476 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(CN)NC(=O)OC(C)(C)C 242463669 DGZCAZJPMKCEAP-VBQJREDUSA-N 372.462 1.948 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 257320028 VVATVAVDLHZSKM-MRXNPFEDSA-N 354.414 1.302 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(-c3nccs3)n2)C1 257242094 IBCBUKHACLXQSM-GFCCVEGCSA-N 352.485 1.876 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cncnc2C)C1 257200265 ACPZQMYIBYXJDL-IBGZPJMESA-N 355.442 1.279 0 40 FDAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(OCCN)c2)[C@H]1O 257221446 DPBQBGGRZGIQCZ-GUDVDZBRSA-N 372.469 1.756 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(c4ccncn4)C3)ccnc12 257206726 BERMBVTVHHHBET-ZDUSSCGKSA-N 351.414 1.605 0 40 FDAB O=C(CN1CCCNC1=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588929169 LEAWONVBVZIHGU-UHFFFAOYSA-N 368.441 1.593 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(N(C)C)cc2)cc1F 90611853 SMBOAURDAZMUMW-INIZCTEOSA-N 368.430 1.912 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90744706 HIHDZLVZFNKBON-KRWDZBQOSA-N 358.438 1.778 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 647587163 RZORDTCOEIYBPX-MRXNPFEDSA-N 374.466 1.529 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1C(=O)c1cn2ccccc2n1 1775957455 VVBCKPQJCVWRSU-AAEUAGOBSA-N 356.386 1.254 0 40 FDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 575404461 MVALQXSBCQKOKA-CYBMUJFWSA-N 359.426 1.796 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cnn(C(C)C)c3)C2)OC1 585104693 LAQVPJZVHYRVRZ-OAHLLOKOSA-N 370.519 1.384 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCCCO3)[C@H]2C 585097352 KLRCGXNBVMEGIW-LBPRGKRZSA-N 358.398 1.803 0 40 FDAB COCCNC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 46464647 SYCTWQLGSXZYQW-UHFFFAOYSA-N 356.488 1.660 0 40 FDAB O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1cccnc1 97164866 DHRRQZXHAAXMJM-UHFFFAOYSA-N 354.189 1.688 0 40 FDAB O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCCO 95433068 CIPPKUMNWZESPV-UHFFFAOYSA-N 372.668 1.468 0 40 FDAB CS(=O)(=O)Nc1cc(-c2ccc(F)cc2)nn1[C@@H]1CCS(=O)(=O)C1 11795946 JDXLMKYQHFBEPO-GFCCVEGCSA-N 373.431 1.420 0 40 FDAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12)OCO3 12181236 RHCJIZZCRJVSAT-UHFFFAOYSA-N 370.409 1.855 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2cnc(C)nc2)n1 12366087 DVSGWBHCJAUDJY-JJTKIYQPSA-N 355.442 1.208 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 13583609 MVVRECSWYQVSNV-WVZRYYJFSA-N 354.786 1.726 0 40 FDAB COC(=O)C1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1 13613241 CBQNERFCOUTKBE-UHFFFAOYSA-N 368.455 1.173 0 40 FDAB CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CCCO1)C2 19017315 NRQHXLWJRGXETC-SJORKVTESA-N 358.442 1.614 0 40 FDAB CNc1cc(CN(C)C(=O)CN2CCC(C)CC2)nc([C@@H]2CCCN2)n1 19759838 YEWJFWAAGVXGHC-INIZCTEOSA-N 360.506 1.633 0 40 FDAB O=C1C[C@@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)CCN1 575616458 LIGYADAOZLKMCI-JTQLQIEISA-N 371.363 1.107 0 40 FDAB C[C@@H](c1ccccc1)N(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 36452043 MOCSUWCZKSGIMC-KBXCAEBGSA-N 353.422 1.959 0 40 FDAB CCOc1ccc(S(=O)(=O)NC2CN(c3nnc(C)s3)C2)cc1C 1888881742 ALZOOZPBJUUFFZ-UHFFFAOYSA-N 368.484 1.721 0 40 FDAB CCc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(SC)n1 1888890903 UWHYVCGFZLAGHH-UHFFFAOYSA-N 370.486 1.764 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@H]3C2)c1F 1888897721 QXOHIDBFNRIHJY-RYUDHWBXSA-N 368.420 1.427 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nccn3nc(C4CC4)cc23)CC1 1888899316 QPBYVCPKDJCIRV-AWEZNQCLSA-N 356.474 1.642 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)nc2ccccc21 1888909716 PYYPIHUKGQRPRV-GASCZTMLSA-N 364.453 1.998 0 40 FDAB CN(C)c1ncc(C(=O)N2CCC(O)(COc3ccccc3)CC2)cn1 2037909179 AHTNHCFUEHZKOM-UHFFFAOYSA-N 356.426 1.589 0 40 FDAB CC1CC(C(=O)N2CCOC[C@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)C1 1565547794 SFYRIHMMFUAPSP-GETDIDHLSA-N 361.442 1.066 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3cccc(F)c3)c2=O)no1 4341800 OZSYPYINMIFXSQ-UHFFFAOYSA-N 369.316 1.051 0 40 FDAB CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CC[C@@H](C)C2 4326479 MQWVYQGFYHCCGZ-SECBINFHSA-N 363.439 1.320 0 40 FDAB CC(C)C[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 40092283 SNKCEKDITTWIDM-INIZCTEOSA-N 359.474 1.688 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)ccc1F 40087884 MLEVQBTVCAKHNY-GFCCVEGCSA-N 371.368 1.995 0 40 FDAB COC(=O)C[C@H]1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 1236700 JCYUUMUBOLWOBX-SNVBAGLBSA-N 356.787 1.906 0 40 FDAB C[C@H]1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2C)CC1 4895361 URXLDHINOKWZPK-HDICACEKSA-N 364.534 1.406 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(N)=O)cc1 6609843 KFKVGLFXQKTCNY-JTQLQIEISA-N 356.334 1.698 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1 6623227 HYLAOEHWONNVSO-UHFFFAOYSA-N 358.383 1.422 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)cc1 23642007 OHGGYQCJQIBUKD-UHFFFAOYSA-N 361.398 1.912 0 40 FDAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 100145818 RJSRHJZGKXUKAU-IRXDYDNUSA-N 365.437 1.968 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c1 25655320 WZDQCPQPJNTPCD-UHFFFAOYSA-N 365.407 1.954 0 40 FDAB Cc1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1S(C)(=O)=O 48250002 PHQGYQDRBDWLRF-UHFFFAOYSA-N 370.434 1.909 0 40 FDAB COc1ccc(CC(=O)N2CCN(C(=O)c3cccnc3S)CC2)cc1 58299522 OYQGCVXAMQVEGT-UHFFFAOYSA-N 371.462 1.906 0 40 FDAB O=C(CNc1ccc(C(=O)N2CCc3ccccc32)cc1)N1CCNC1=O 58201968 AKXXJYUBZSGWSA-UHFFFAOYSA-N 364.405 1.853 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 113942231 AOOTZRUKSYKWKN-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB CN(C)c1nc(N)nc(CSCCC(=O)Nc2cccc(F)c2)n1 45009656 SSSQXELRWCDABO-UHFFFAOYSA-N 350.423 1.921 0 40 FDAB Cc1cc(C(N)=O)ccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102799535 ATETYKVGKKMLAB-KBPBESRZSA-N 357.410 1.598 0 40 FDAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)c1 2245025 XZBIJFCCBQWPMH-YVLHZVERSA-N 350.447 1.805 0 40 FDAB O=C(COc1ccccc1)NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1 107430597 YHYKYPBXYFZURN-CEQLMSFQSA-N 371.433 1.763 0 40 FDAB biogenic,in-vitro O=C(NCCc1ccccc1F)C1CCN(C[C@H](O)Cn2cccn2)CC1 48367368 BCMGOYJLPOSQPX-SFHVURJKSA-N 374.460 1.454 0 40 FDAB O=c1nc2s/c(=C\c3cccs3)c(=O)n2nc1Cc1ccc(F)cc1 2424288 KCXJMPAXNPADEC-ZROIWOOFSA-N 371.418 1.850 0 40 FDAB CCOc1ccccc1-n1nnnc1SCC(=O)NC[C@@H]1CCCO1 3497120 BFOLZCWLYNLTHY-LBPRGKRZSA-N 363.443 1.448 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(C)c2C)cc1 71282700 FGXZGJJOVBGRGK-INIZCTEOSA-N 361.442 1.695 0 40 FDAB COCCn1nc(C(=O)OCc2cc(-c3cccs3)on2)ccc1=O 49574736 OWNAWSMSPKSCGE-UHFFFAOYSA-N 361.379 1.963 0 40 FDAB COc1cc2cc(C(=O)NCC(=O)NCc3ccco3)[nH]c2cc1OC 13689795 MYTUKHBNQXSZQJ-UHFFFAOYSA-N 357.366 1.824 0 40 FDAB Cc1cccc(S(=O)(=O)N2CCN(c3cn[nH]c(=O)c3Cl)CC2)c1 9218582 GSDCANFOPMCGGC-UHFFFAOYSA-N 368.846 1.243 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCC1 4724874 SOLVDZYYBYUSJE-UHFFFAOYSA-N 360.458 1.196 0 40 FDAB CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C(=O)NC)c1C 9762729 HRYZYSUOAJDBBS-UHFFFAOYSA-N 355.460 1.919 0 40 FDAB CN(C)CCCNC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421432 VHCNWBXBSGSIPH-LLVKDONJSA-N 365.869 1.291 0 40 FDAB COC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 16276931 LAYVQWUKWZUSTM-LBPRGKRZSA-N 355.412 1.192 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CC1 17169850 QTPSNGWDPGTQAM-UHFFFAOYSA-N 372.421 1.783 0 40 FDAB COCCNC(=O)CN(C)CC(=O)Nc1ccccc1Br 8705344 HDRPTSGHISPEFG-UHFFFAOYSA-N 358.236 1.082 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 408588030 AZZBZTMRVOKUHD-MDWZMJQESA-N 355.306 1.153 0 40 FDAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)cs1 26522016 ITQQBAJHNVFRKG-UHFFFAOYSA-N 354.409 1.997 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cnccn3)[C@H]2C1 306130808 JQANFGNCBFRQHD-GZBFAFLISA-N 359.455 1.118 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccncc1 31818236 YDAKLKBDQFSWGO-AWEZNQCLSA-N 370.384 1.006 0 40 FDAB CC(C)[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 5235502 ZKMYAUUTYOJRFL-QGZVFWFLSA-N 359.378 1.886 0 40 FDAB biogenic C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C[C@@H](C)O1 72335494 MIBKVPKXJROZAF-ZIAGYGMSSA-N 355.442 1.749 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC 218357096 LJHKWHVPSLWWPI-UONOGXRCSA-N 372.414 1.839 0 40 FDAB CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35413584 ZLXWIMGIFBIGDT-UHFFFAOYSA-N 359.517 1.359 0 40 FDAB CCOCCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 222541632 RWTXPXWSLBANQB-ZDUSSCGKSA-N 358.460 1.393 0 40 FDAB CCOCCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225007506 MWGDLUZXSPAOCY-UHFFFAOYSA-N 360.451 1.915 0 40 FDAB Cc1c(S(=O)(=O)N[C@@H](C)c2ccc(OCC(=O)O)cc2)cnn1C 569841052 NJQKKAPEGJFIEJ-JTQLQIEISA-N 353.400 1.231 0 40 FDAB CC(C)(C(=O)O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 570929195 BBAQSCATLLFWHA-LLVKDONJSA-N 374.315 1.918 0 40 FDAB CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)s1 224361977 ICCWNQUQNUPQLU-SECBINFHSA-N 364.518 1.650 0 40 FDAB COCCn1ccc2nc3ncnn3c(-c3cccc(OC)c3)c2c1=O 40398246 LQJYLMRJGNJXIY-UHFFFAOYSA-N 351.366 1.761 0 40 FDAB COc1cc(OC)c2c(c1)C(=O)N(Cc1ccccc1)[C@@]2(O)C(=O)N(C)C 45221993 QKOXLXVEVWKYDU-FQEVSTJZSA-N 370.405 1.593 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)[C@@H]4CCCO4)C3)C2=O)n1 96224727 RWWFMBMGNQRSRS-FXAWDEMLSA-N 357.454 1.910 0 40 FDAB Cc1occc1C(=O)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197579 LWETYYMDJAEBQB-UHFFFAOYSA-N 353.382 1.436 0 40 FDAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 245224882 HDOAVCSOTVRVGC-RDTXWAMCSA-N 368.499 1.772 0 40 FDAB Nc1cc(CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)ccn1 257293233 QOQHTJOXGZBORV-CQSZACIVSA-N 352.398 1.409 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3OC[C@H](CCOc4cccnc4)[C@@H]3C2)cn1 253601017 HACPIYINABWWSN-ZVZYQTTQSA-N 354.410 1.736 0 40 FDAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CCCN 257240673 HUPZSRKOPNBOHX-UHFFFAOYSA-N 357.458 1.158 0 40 FDAB O=S(=O)(NCc1ccnc([C@H]2CCCOC2)n1)c1cccc(F)c1 257235048 GWEZCKYXAVVVBA-LBPRGKRZSA-N 351.403 1.988 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCc2cn(C)nc2C)C1 257208981 BOJLPHWLDSSOJV-OAHLLOKOSA-N 356.474 1.974 0 40 FDAB O=S(=O)(N1CCOCC1)N1CC[C@H](Cc2ccnc3ccccc23)C1 257311014 UHOGVNXGFYBBKN-OAHLLOKOSA-N 361.467 1.676 0 40 FDAB COC[C@@H](NC(=O)c1cnc2ccc(OC)nn12)c1cccc(OC)c1 617966705 PLBIFCWEGVQRJI-CQSZACIVSA-N 356.382 1.864 0 40 FDAB Cc1nccc(N2CCN(C[C@@H]3CCCO[C@H]3c3ccnn3C)CC2)n1 667986672 ISNILOXHLUNZET-QFBILLFUSA-N 356.474 1.808 0 40 FDAB CCN1C(=O)[C@@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CC3)CCN2C1=O 674539919 AMQXEBGILZKDTL-INIZCTEOSA-N 355.438 1.830 0 40 FDAB CCOC1CC(CC(=O)N2C[C@H]3CC[C@H]2CN3C(=O)c2cn(CC)cn2)C1 1775992521 QVGUDHQAEZNEOZ-VUROTCPHSA-N 374.485 1.924 0 40 FDAB O=C(CN1CCO[C@](CO)(Cc2ccc(F)cc2)C1)Nc1ccccn1 585277254 LJVJDDYNRKHTSG-LJQANCHMSA-N 359.401 1.465 0 40 FDAB O=C(C[C@H]1CN(C(=O)CC2CC2)Cc2ccnn21)NCC1CCOCC1 585095450 YRYCZGOWPVEZAK-KRWDZBQOSA-N 360.458 1.499 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccccc3)C2)cn1 585112068 IBWCMXRVKPOWDY-GOSISDBHSA-N 364.453 1.994 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)[nH]2)CC1 685941496 DDHHXHQAJNMJJG-CQSZACIVSA-N 357.462 1.363 0 40 FDAB COCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(C)c1C 78771469 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CC(C)C(=O)NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 2037844018 KWYRDNFKIHLCJD-NQYYFHDYSA-N 362.470 1.288 0 40 FDAB Cc1c(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cnn1C 2037978340 QWUFLLUZHAOUFC-HXUWFJFHSA-N 354.454 1.984 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542592 PRHHRXFJSBCQSQ-KXBFYZLASA-N 355.394 1.416 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565550645 CUYXPUHGSGMYHB-HBFSDRIKSA-N 368.437 1.779 0 40 FDAB Cc1[nH]c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2c1C 10233749 MNMMUIHPFJLPKY-UHFFFAOYSA-N 357.801 1.995 0 40 FDAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cccnc1C(N)=O)C2 2055751385 QOGQNOABABMUDQ-AWEZNQCLSA-N 369.425 1.080 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3ccco3)CC2)[nH]1 2055713471 TYLDGWFIGNVWEP-UHFFFAOYSA-N 354.414 1.262 0 40 FDAB COc1ccc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cc1 2055731789 VSECZCXUKSCGLZ-ZDUSSCGKSA-N 365.455 1.380 0 40 FDAB C[C@@H](O)c1ccc(C2(CNC(=O)CN3C(=O)CCC3=O)CCCC2)s1 225681004 FXDGSDVTHUZEQM-GFCCVEGCSA-N 364.467 1.878 0 40 FDAB O=C(CO)Oc1ccc(-c2coc3cc(OC(=O)CO)ccc3c2=O)cc1 117559490 QAMBYGXBBWRUCJ-UHFFFAOYSA-N 370.313 1.255 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2cncc(OC)n2)C1 220090652 DLSHYPMMKOMZEX-LBPRGKRZSA-N 357.366 1.565 0 40 FDAB COCCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 7990985 YBQGJLVSHMWKOB-CYBMUJFWSA-N 366.215 1.546 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 40118857 KDPVVRNSOONWPL-GASCZTMLSA-N 367.515 1.693 0 40 FDAB COC(=O)c1ccc(OC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100551157 YLLVDTARIOJGOI-GASCZTMLSA-N 359.378 1.944 0 40 FDAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 20326052 HEUCOGZUGAIPSL-BMRADRMJSA-N 372.469 1.861 0 40 FDAB COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100760730 QUCUWLQYESVDEW-HIFRSBDPSA-N 371.393 1.147 0 40 FDAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c2c1 20722210 GKFADHBWLXZCLM-GOSISDBHSA-N 358.442 1.308 0 40 FDAB COCCCNC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 32636482 RLWVYSXKTJDKBE-LJQANCHMSA-N 359.426 1.313 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(C(N)=O)cc1)C(=O)C2 102422552 JCYPUNBQKYUPBU-YVEFUNNKSA-N 350.440 1.923 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 32897875 OUKXVOPBIRHJKX-CYBMUJFWSA-N 363.389 1.479 0 40 FDAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)NCc3cccs3)nc2n1 21602637 WNQQRDCARBPYKR-LLVKDONJSA-N 359.411 1.664 0 40 FDAB O=C(Nc1nc(C(F)(F)F)n[nH]1)[C@@H](Cc1ccccc1)n1cnnn1 76946877 PAYPQLPRPAYDOB-SECBINFHSA-N 352.280 1.233 0 40 FDAB CCOC(=O)c1c(C=O)c2sc(C)cc2n1CC(=O)N1CCOCC1 1350580 BRMZUKAVCUAUQG-UHFFFAOYSA-N 364.423 1.859 0 40 FDAB CCNc1ncc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)s1 78995440 WWBIHUKPMXEYAT-UHFFFAOYSA-N 360.487 1.652 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4545576 KTPAOCHQVWUUSJ-SYCOBUBCSA-N 373.380 1.971 0 40 FDAB Cc1sc2ncn(CC(=O)OCC(=O)NC(C)(C)C)c(=O)c2c1C 4982330 UJGRJLURAFKHNR-UHFFFAOYSA-N 351.428 1.533 0 40 FDAB COc1ccc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 7982135 DVKCNVQPUSADKD-UHFFFAOYSA-N 356.334 1.913 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccccn1 23156705 VNSVEGSZNMKNCZ-IBGZPJMESA-N 350.378 1.091 0 40 FDAB O=C(CN1CCN(Cn2nc3ccccn3c2=S)CC1)N1CCCCC1 23254225 MINJXLLNUQBPQO-UHFFFAOYSA-N 374.514 1.453 0 40 FDAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 12552817 OBTPMVLIUHJHNI-NSHDSACASA-N 361.423 1.976 0 40 FDAB CC(C)C(=O)N1CCN(CC(=O)NCCCN(C)c2ccccc2)CC1 12516902 QAOVTQDIZNYEAS-UHFFFAOYSA-N 360.502 1.429 0 40 FDAB CCC(CC)[C@H](CNC(=O)CNC(=O)c1ccco1)N1CCOCC1 24838943 KDJYXRYLSPAHEU-HNNXBMFYSA-N 351.447 1.263 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 25866393 HTUNYJUNDXPRMU-GOSISDBHSA-N 374.418 1.862 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 12602229 DPBLJUNIERFSGG-CKFHNAJUSA-N 359.426 1.480 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103236759 HXSJRJHSYBSELJ-YXAMBPQSSA-N 354.362 1.219 0 40 FDAB COCCn1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c2ccccc21 57430342 BSXSJRJRXOIIMZ-UHFFFAOYSA-N 370.409 1.102 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1 23983915 PJGUPTWYEMVGNT-CQSZACIVSA-N 362.407 1.628 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 58282505 YUZUBIINZBGBGW-QGZVFWFLSA-N 367.515 1.467 0 40 FDAB COC(=O)C1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 58217830 RHAAIEIETXDKFN-UHFFFAOYSA-N 371.393 1.483 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)CC1 3333944 GVDGCTASNFETHZ-QGZVFWFLSA-N 368.437 1.889 0 40 FDAB COc1ccccc1OCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2109500 ULWJYLNJNSETKJ-LSDHHAIUSA-N 354.406 1.882 0 40 FDAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1 11010681 WAFRVAUNLTVVAP-MNOVXSKESA-N 359.831 1.953 0 40 FDAB Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c1 3470063 PERGUBDWBGOCCW-NSHDSACASA-N 361.354 1.611 0 40 FDAB O=C1CCc2cc(C(=O)N3CCC(CN4CCOCC4)CC3)ccc2N1 48481044 MMXIFBAQBPEPNI-UHFFFAOYSA-N 357.454 1.756 0 40 FDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCC(=O)Nc1cc(Cl)ccc1Cl 12978804 DIBBEJNEZQHDBV-VIFPVBQESA-N 373.196 1.036 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8996497 MOTVYCMGUMRTJW-AWEZNQCLSA-N 367.453 1.192 0 40 FDAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 13057106 CFRJJZNGRKDDOW-ZIAGYGMSSA-N 353.488 1.853 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)NC(C2CC2)C2CC2)cc1 13012331 BIYGXQQKPOEKBJ-UHFFFAOYSA-N 352.456 1.530 0 40 FDAB Nc1nc(N[C@H]2CCN(c3ncccc3Cl)C2)cc(-n2cccn2)n1 92921488 BVWUXWXYFCPZGN-NSHDSACASA-N 356.821 1.984 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O 39571318 FJEKRJBCBAXOHZ-UHFFFAOYSA-N 373.386 1.543 0 40 FDAB CCc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3CC)cc1 4495936 PGMZEGLDGZVIHV-CYBMUJFWSA-N 353.378 1.487 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1 5323517 ZHZSBYNBSHXJIF-NSHDSACASA-N 352.350 1.778 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC(=O)c2cccc3c2OCCO3)c1 65644358 RHFATYBBUYYZSN-UHFFFAOYSA-N 361.375 1.779 0 40 FDAB O=C(/C=C/c1cccnc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005340 FYXAVGYDIYPSDU-FVNWOWOISA-N 363.483 1.948 0 40 FDAB Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc12 7464922 WXLPBZWDHVLGMZ-GFCCVEGCSA-N 365.407 1.092 0 40 FDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 16101330 NYMRZRTYGPHHIQ-UHFFFAOYSA-N 352.846 1.850 0 40 FDAB COC(=O)c1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 17194063 VJSBWJNRJPOCLH-UVBSCNOISA-N 360.366 1.130 0 40 FDAB CC(C)OCCCNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 96817093 SAWYQFNYBHOIQL-UHFFFAOYSA-N 362.474 1.767 0 40 FDAB C[C@@H](O)CN1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@H]1C 95461105 WUQZAIYRSLANHO-HUUCEWRRSA-N 362.474 1.467 0 40 FDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(Cc2cnn(C)c2)C3)n1 306142768 XJATUNPBIJZARF-INIZCTEOSA-N 357.458 1.969 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2)C1CCC1 306125522 CTFQKGMBBYTRCO-DNVCBOLYSA-N 369.425 1.765 0 40 FDAB CCCC(=O)N1C[C@@H]2[C@@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306142321 WVWYBFZBMCVFSB-ZIAGYGMSSA-N 366.487 1.310 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707735 DBUONSVMVAWSJN-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccn2)cc1C 38556521 XSUNBSQZUHLDCH-ZDUSSCGKSA-N 363.439 1.382 0 40 FDAB CN1CC(=O)N(CCCC(=O)Nc2nc(-c3ccccn3)cs2)C1=O 39978465 VHMKLNSFHPEKNK-UHFFFAOYSA-N 359.411 1.818 0 40 FDAB CN(C)S(=O)(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 72374203 ZBLFZTLCMASVHG-UHFFFAOYSA-N 362.459 1.601 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 218167841 SKANLEXBWIVOHE-MSOLQXFVSA-N 374.462 1.567 0 40 FDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635923 HLBSKKFMRVRACK-RYUDHWBXSA-N 372.443 1.289 0 40 FDAB COC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1C 223857609 XVYYFPRTEWGKIS-UHFFFAOYSA-N 363.391 1.989 0 40 FDAB O=C(NCCCO)C1CCN(C(=O)c2ccc(Br)cc2)CC1 96968217 LNWMCYBEKJLVEJ-UHFFFAOYSA-N 369.259 1.800 0 40 FDAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(S(=O)(=O)N(C)C)CC2 96254201 AMSOWOLHUZLYAC-UHFFFAOYSA-N 354.480 1.036 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 98211251 HFOKAGFEGRNCPZ-UHFFFAOYSA-N 358.398 1.587 0 40 FDAB O=C(c1ccco1)N1CCCn2nnc(COCCN3CCCC3)c2C1 96258994 HNSVKBSXMRWBHU-UHFFFAOYSA-N 359.430 1.530 0 40 FDAB CO[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109474 LHCALJVQRJRNBX-BBWFWOEESA-N 351.472 1.095 0 40 FDAB CC(C)CCNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96147338 BCNYMVNKCQFYPM-UHFFFAOYSA-N 362.455 1.782 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 247491918 MTPDRLBKTVKKHW-SFHVURJKSA-N 351.410 1.787 0 40 FDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)NCc3cccnc3)C2)cc1 247913324 VFSXTGWEDCDZGR-VAMGGRTRSA-N 367.449 1.996 0 40 FDAB O=C(O)CCCNC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 584906351 ZNTQZVSKOODDFO-HDJSIYSDSA-N 372.425 1.579 0 40 FDAB CN(C)c1nc(C2CCN(C(=O)C3CCOCC3)CC2)cn2nccc12 257222278 DSQNNLBPFAHDPH-UHFFFAOYSA-N 357.458 1.928 0 40 FDAB CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3ccccc3)C2)ncn1 257331014 XQZZQBHKNPLFOK-IBGZPJMESA-N 355.442 1.304 0 40 FDAB Cc1noc(C)c1CN1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 252006325 OUUIWOBUZHGKQO-HNNXBMFYSA-N 354.472 1.707 0 40 FDAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257282774 OVFNSGFDWSSLOR-CQSZACIVSA-N 351.432 1.692 0 40 FDAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257321442 WBRZZEBXLBDTKU-GPMSIDNRSA-N 353.426 1.915 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cnn(C)c3)CC[C@H]21 257291760 QIMHLTYQIQPPEX-GUDVDZBRSA-N 352.438 1.897 0 40 FDAB Cn1ccc(N2CCC[C@H](Oc3ccc4c(c3)CCCNC4=O)C2=O)n1 270872090 CBBBVHMNVZPIPO-INIZCTEOSA-N 354.410 1.671 0 40 FDAB NC(=O)C1(c2ccccc2)CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 604392632 WBGGBEQBXCWZPO-CQSZACIVSA-N 369.387 1.669 0 40 FDAB COc1ccc([C@@H]2OCC[C@H]2NC(=O)Nc2c(C)ccn(C)c2=O)cn1 623083962 CJCYDGNJRIKUGU-CJNGLKHVSA-N 358.398 1.749 0 40 FDAB COc1cccc2c1OC[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)C2 623130521 LYNOCQPKIBOYAT-JJRVBVJISA-N 372.425 1.562 0 40 FDAB COc1cc(Cl)ccc1Cn1cc(CN[C@H]2CCS(=O)(=O)C2)nn1 641126927 DCQHKRHUQLVJQW-ZDUSSCGKSA-N 370.862 1.265 0 40 FDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC(Cn2cnnc2)CC1 650441748 IODURLSKWRRGDR-UHFFFAOYSA-N 350.400 1.077 0 40 FDAB Cn1cc(-c2noc(CNC(=O)c3cc(O)nc4ccccc34)n2)cn1 390828947 CIOJUZIXYKYAFP-UHFFFAOYSA-N 350.338 1.654 0 40 FDAB CCn1cc(CN2CCC3(CC2)CN(CCOC)C[C@H]3COC)cn1 585103258 NVDDCQUXPOBLNC-SFHVURJKSA-N 350.507 1.710 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]21 585109267 FOPQSSVWQRJQJE-IKGGRYGDSA-N 358.369 1.965 0 40 FDAB CCOCC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CCOC 585107512 YQJZFOQGVOHSBA-HXUWFJFHSA-N 370.453 1.803 0 40 FDAB O=C(NC1CC1)[C@H](O)C1CCN(Cc2cccc3c2OC(F)(F)O3)CC1 585087280 IGTIQDWGOPCESV-OAHLLOKOSA-N 368.380 1.860 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2cccnc2)n[nH]1 585094938 VITSITFHUIQKLB-QGZVFWFLSA-N 352.442 1.990 0 40 FDAB Cc1cnc(OC[C@@H]2CCn3nccc3CN2CC2=CCCOC2)nc1 585098084 TYCOIBPKVURJBY-SFHVURJKSA-N 355.442 1.982 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(F)C2)O1 585108597 IWPBIGGGAZEEDR-SSPCRKDCSA-N 361.417 1.594 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2cc(F)c(C)cc2F)n[nH]1 685940729 GSJFMGGYYMJFMT-WCQYABFASA-N 358.370 1.508 0 40 FDAB O=C([C@@H]1C[C@H](O)CN1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 685939920 WORNLQCLHZIVKV-YZMDESFKSA-N 363.216 1.755 0 40 FDAB C[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(=O)NC(C)(C)C 60909432 CAYYBNYVXVOBFL-PRXAMGSTSA-N 358.504 1.604 0 40 FDAB c1nc(N2CCCN(c3ccc4nncn4n3)CC2)c2sccc2n1 1565520665 CFKDVDLRYHNJOV-UHFFFAOYSA-N 352.427 1.846 0 40 FDAB C[C@@H]1C[C@H](C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)O[C@H]1C(=O)O 630179381 IYLKOWQLBNPTHU-LERXQTSPSA-N 355.412 1.090 0 40 FDAB Cc1cc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)no1 1549161802 LNTFJRNITJYVNN-GOSISDBHSA-N 368.437 1.874 0 40 FDAB O=C(c1nccs1)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 12142724 PAJMUMHKCUQOMN-UHFFFAOYSA-N 368.422 1.854 0 40 FDAB CC(C)c1nc2n(n1)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 18029839 JURPTENLVWXHDW-LLVKDONJSA-N 357.370 1.695 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC[C@H]1C 19524130 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1565552990 GDRIKDDWLBLCDY-UHFFFAOYSA-N 366.446 1.994 0 40 FDAB C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)CC[C@]12CC[C@H](C(=O)N(C)C)O2 1565546908 GWGHSCHPQYPTSR-VVFCZOMOSA-N 363.433 1.638 0 40 FDAB CCc1ccc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)cn1 1565554739 FFRAAGOSJORTAT-UHFFFAOYSA-N 366.429 1.230 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)cn1 1565546595 APLCKRPHTVPTDT-JCGIZDLHSA-N 373.453 1.818 0 40 FDAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@H]1CCCO1 10251732 NNNYKJJORVYWOA-CYBMUJFWSA-N 359.773 1.485 0 40 FDAB COCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 11854879 SKOBCZOMOAWFKD-UHFFFAOYSA-N 359.411 1.886 0 40 FDAB CC(C)CC(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071660 MDQVRMPJULGXEZ-UHFFFAOYSA-N 371.416 1.943 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CCOCC2)CC1 2055734476 ACOVFOPBVJOPKK-UHFFFAOYSA-N 363.433 1.771 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 17306827 UXAKDOHTLPZIKG-UHFFFAOYSA-N 353.356 1.158 0 40 FDAB 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372.406 1.969 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC(=O)N(C)CC2CC2)C1 548666124 ZYDNPOLPRHPFDS-KRWDZBQOSA-N 350.488 1.357 0 40 FDAB COc1cc(OC)c([C@@H]2CC(=O)N=C3NC=NN32)cc1Br 38199716 DSCDSBDQGZCFIQ-VIFPVBQESA-N 353.176 1.642 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306133795 MWNNVGDBWBCEIE-KGLIPLIRSA-N 355.417 1.614 0 40 FDAB COC(=O)c1ccc(C)c(NC(=S)NCCCN2CCOCC2)c1 38252509 NIBFKGKTOGBWOB-UHFFFAOYSA-N 351.472 1.790 0 40 FDAB COc1ccccc1NC(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21 64871415 BMMQABPRYQJCNW-UHFFFAOYSA-N 363.377 2.000 0 40 FDAB CCn1cc(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c(C)n1 36611375 KKZWIQPJGJMGGD-LLVKDONJSA-N 358.317 1.181 0 40 FDAB Cc1cccnc1OC1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 561123452 PFHYFLVWVYKSMW-UHFFFAOYSA-N 350.444 1.664 0 40 FDAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218156523 ZDHSECTWLXIEPS-OKZBNKHCSA-N 361.419 1.292 0 40 FDAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCN1CCOCC1 222755297 DRDGSWZORMOHIQ-KRWDZBQOSA-N 361.486 1.652 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 49547256 YOFHIOCJQKHNSR-UHFFFAOYSA-N 368.393 1.141 0 40 FDAB O=C(c1ccc(O[C@H]2CCSC2)nc1)N1CCN(c2ncccn2)CC1 225715082 LPMTWXLUIKGDRM-HNNXBMFYSA-N 371.466 1.718 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)nc(O)n1 574063127 VBNANTSSHGJPLL-WMLDXEAASA-N 367.409 1.966 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225702982 OHVMJNIGONRXBV-GFCCVEGCSA-N 356.300 1.828 0 40 FDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 85419024 MYTHDDPRIDIHPS-XLSPSMHOSA-N 367.405 1.210 0 40 FDAB CNS(=O)(=O)NCC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 331325598 MNXKOVXECVVBGK-UHFFFAOYSA-N 359.398 1.024 0 40 FDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCOCC1 96057229 FGHCPJFYGJXWPR-KFWWJZLASA-N 351.472 1.086 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn2C1 247838472 MYPSAQPKELHLTG-OAHLLOKOSA-N 362.861 1.931 0 40 FDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O 242425548 BOKVLSLNUWIKTD-GUTXKFCHSA-N 357.453 1.235 0 40 FDAB Cc1nnc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)s1 248021626 MDJHTMPDIXYPQU-ZDUSSCGKSA-N 352.460 1.081 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cccn3C)C2)cc1 257278978 OELNCHZSNJXWLE-HXUWFJFHSA-N 357.454 1.743 0 40 FDAB Cc1noc(C)c1CN1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 251922186 BAOKZLQFIJSBEF-KRWDZBQOSA-N 355.398 1.954 0 40 FDAB CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604381735 MEUSCMMMXJKGQP-MRXNPFEDSA-N 361.461 1.693 0 40 FDAB biogenic,in-vitro COCc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cc1 257239051 HNSLTHHOBUWNOA-LJQANCHMSA-N 356.426 1.336 0 40 FDAB CN(Cc1cnccn1)C(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644365245 SHFPNZOMRZOCMV-HXUWFJFHSA-N 354.454 1.852 0 40 FDAB Cc1nc(CN(C)C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)no1 644418973 RVQSSTGVXFOVJP-IBGZPJMESA-N 358.442 1.754 0 40 FDAB CN1CCN(CCOc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)CC1 662758025 PGBIPICJTVEHJM-UHFFFAOYSA-N 372.513 1.913 0 40 FDAB O=C(C[C@@H]1CN(Cc2ccncc2)Cc2cccn2C1)N1CCOCC1 585099155 QOINASCULSLERH-GOSISDBHSA-N 354.454 1.764 0 40 FDAB Cc1cnn(-c2cccc(NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)n2)c1 685941356 VUTDELQUAQUWFZ-RRFJBIMHSA-N 353.430 1.671 0 40 FDAB NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 36728208 OWMNMUTWKAWISQ-AWEZNQCLSA-N 357.435 1.768 0 40 FDAB Cn1nc(C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)ccc1=O 75165207 QUDJJDOOFNIWFF-MRVPVSSYSA-N 357.292 1.202 0 40 FDAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCNC(=O)c1ccccc1O 103734886 IAPYMVISQMBZKZ-VKFLQFAXSA-N 372.465 1.960 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@@]3(C)[C@@H]2CCCCN3C(C)=O)CC1 1615192089 RARIPECCVUWLAY-OALUTQOASA-N 365.518 1.615 0 40 FDAB C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc(=O)n(C)c(=O)[nH]1 19714470 PVVODRYCHRDKTD-JTQLQIEISA-N 358.373 1.065 0 40 FDAB O=C(Cn1cc(NC(=O)[C@H]2CCn3cncc3C2)cn1)NC1CCCC1 151847365 NYZDMFKAXAZHLO-ZDUSSCGKSA-N 356.430 1.340 0 40 FDAB CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1OCC 11694027 HJSFQCLTNVCWMW-UHFFFAOYSA-N 361.398 1.298 0 40 FDAB CCOC(=O)CN(C(=O)COC(=O)c1cnc(C)cn1)c1ccccc1 11481010 JVPMJYSGXNOWGP-UHFFFAOYSA-N 357.366 1.538 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)O)CC2)cc(C)c1C 13261848 HAKMPAFCPSJANR-UHFFFAOYSA-N 354.428 1.148 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)nc(O)c1F 1888847515 OIMNJTAPQPYRJS-PHIMTYICSA-N 356.348 1.570 0 40 FDAB O=S(=O)(Cc1ccccc1F)NCC1(O)CSCCSC1 1888876279 FKRDFZBYZIPJIP-UHFFFAOYSA-N 351.490 1.456 0 40 FDAB Cc1ccc(CNC(=O)CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cc1 1888930510 RSFIBAHDIZVYRF-GOSISDBHSA-N 359.470 1.325 0 40 FDAB COC1(CNC(=O)CCc2ccccc2F)CCN(S(C)(=O)=O)CC1 1889197931 SDRYCXICHFNPCT-UHFFFAOYSA-N 372.462 1.315 0 40 FDAB Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 1848352060 LWEQWKBLKNLDCL-CQSZACIVSA-N 363.425 1.762 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCn1cnc2sccc2c1=O 238822668 DAGRDLOACDYGGR-UHFFFAOYSA-N 354.413 1.041 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cccnc2O[C@@H]2CCOC2)CC1 253406534 URNCLKHLQGPIFN-CQSZACIVSA-N 363.414 1.600 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)C3CC(C)C3)CC2)N1S(C)(=O)=O 1614931551 XVLXGYFWKUDWLV-NRXISQOPSA-N 358.504 1.464 0 40 FDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@H]12 1565546244 WLTIMQZFSVQLQV-GXTWGEPZSA-N 363.364 1.389 0 40 FDAB O=C(Cn1ccccc1=O)N1CCc2c(COCC3CC3)cncc2C1 1565546474 CNWMDRVXUXEOOQ-UHFFFAOYSA-N 353.422 1.755 0 40 FDAB COc1ccc(C(=O)Nc2nnc(SCC(N)=O)s2)c(OC)c1 4328250 BPICFLAWNXLDPO-UHFFFAOYSA-N 354.413 1.385 0 40 FDAB CCCN(CCC)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941016 LYSPJYFJHPKBHH-UHFFFAOYSA-N 356.444 1.597 0 40 FDAB COc1ccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cc1 2055731788 VSECZCXUKSCGLZ-CYBMUJFWSA-N 365.455 1.380 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 2055718066 CHGIYMJAVRTYNJ-IJEWVQPXSA-N 355.398 1.311 0 40 FDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@H]2O1 2055715670 BXULPKCTWLMKKJ-QJPTWQEYSA-N 357.332 1.466 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 2055835256 BPSBZBLBEWVLSI-MRXNPFEDSA-N 364.427 1.123 0 40 FDAB Cc1nc(N2CCC(Cn3cnc(C)c(C)c3=O)CC2)c2cnn(C)c2n1 585633374 ZJXDHHMGOBWRNQ-UHFFFAOYSA-N 367.457 1.762 0 40 FDAB O=C(c1cn(C[C@@H](O)c2cccs2)nn1)N1CCC2(CC1)OCCO2 575605481 AGJNRGWLIWGIEJ-CYBMUJFWSA-N 364.427 1.052 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)n(C)n1 2332241660 UDQFWQXYWZJVPS-NILFDRSVSA-N 368.434 1.238 0 40 FDAB Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 40074480 GYIFQPOJLSGXNP-UHFFFAOYSA-N 359.451 1.466 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 40040032 CPLYLVSFLRGOJG-UHFFFAOYSA-N 365.405 1.635 0 40 FDAB CC(=O)N1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 40103288 IYCAZWNURXGGNB-UHFFFAOYSA-N 373.862 1.876 0 40 FDAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NC(C)(C)C)ncn3n2)cc1 51316935 GEBTXYCWQOCUQB-UHFFFAOYSA-N 369.425 1.871 0 40 FDAB O=C(NCC1CC1)[C@@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 51908942 TVFMTUXWHNDFEX-QGZVFWFLSA-N 368.485 1.833 0 40 FDAB COc1ccccc1-n1cnnc1SC[C@H](O)COC[C@H]1CCCO1 32751051 SIPFUJIXGHUENH-ZIAGYGMSSA-N 365.455 1.925 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccsc2C(=O)OC)CC1 21589415 WBHVEFKNCVKIBR-UHFFFAOYSA-N 360.457 1.535 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CCCC4)CC2=O)c1C 41139622 XNFVVUYKJJWSJX-OAHLLOKOSA-N 367.453 1.901 0 40 FDAB C[C@H](NC(=O)C[S@](=O)Cc1nnnn1-c1ccccc1)c1ccccc1 32801488 LUKPVPHXYVQPRW-RXBISOJRSA-N 369.450 1.788 0 40 FDAB NC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 665288 WWHWTJZOPVRPAQ-UHFFFAOYSA-N 367.814 1.356 0 40 FDAB Cc1ccc(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3321523 WMPBSZRFESCTAX-UHFFFAOYSA-N 362.451 1.770 0 40 FDAB CCCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 4250701 MIAOSXFUEXVATP-UHFFFAOYSA-N 351.410 1.916 0 40 FDAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 23197554 JWSWHLZNFSJVBS-DLBZAZTESA-N 352.500 1.490 0 40 FDAB COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1 72297874 CAALPFNLMGHUNT-AWEZNQCLSA-N 370.515 1.813 0 40 FDAB C[C@H](OC(=O)c1cnn2cccnc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 43525242 MPPZBQOZXIPJTG-JTQLQIEISA-N 355.310 1.822 0 40 FDAB NC(=O)C1(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 57169822 LXGKKQHNWHQFGT-QGZVFWFLSA-N 359.470 1.297 0 40 FDAB COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1OC 57355200 NMXXBTMQHUQHOZ-UHFFFAOYSA-N 357.414 1.255 0 40 FDAB O=C(NCC(F)(F)F)C1CCN(Cn2c(=O)oc3ccccc32)CC1 26689336 ACCDQRRXZOALIM-UHFFFAOYSA-N 357.332 1.943 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc(F)c(F)c1 58185729 WWRNDFXMFUFQTA-UHFFFAOYSA-N 372.368 1.741 0 40 FDAB Cc1cc(NC(=O)CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)no1 58178016 VZGUEZAZQKRAGW-OAHLLOKOSA-N 358.398 1.631 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)c(F)c1 8993865 CAKUKCKLUAAZCI-JTQLQIEISA-N 359.332 1.845 0 40 FDAB CSC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 2108761 FWTHXKRKYNHQHH-LBPRGKRZSA-N 351.380 1.282 0 40 FDAB biogenic CC(=O)N1CCC(NC(=O)Cn2nc(-c3ccc(C)s3)ccc2=O)CC1 58330063 LZFARBSMRZRCOZ-UHFFFAOYSA-N 374.466 1.407 0 40 FDAB COc1ccc(OC)c(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1 12773043 BWZJANPRZBGBNM-UHFFFAOYSA-N 350.396 1.745 0 40 FDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(O)nc3ccccc23)cc1 10706700 ZDYKXIIZRPQXLC-UHFFFAOYSA-N 371.418 1.659 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 11144739 RCGYDTWLUIBTRT-HNNXBMFYSA-N 360.391 1.778 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 12877622 VHEOJIYGILQLQG-LBPRGKRZSA-N 372.855 1.669 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 12094812 BQULUDXONMYZLX-ZDUSSCGKSA-N 353.440 1.894 0 40 FDAB O=C(CSc1cccc[n+]1[O-])OCCCn1c(=O)[nH]c2ccccc21 12999412 UQYDNZXIFLJFOO-UHFFFAOYSA-N 359.407 1.689 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 3614132 XCBLBSVUEISBAL-UHFFFAOYSA-N 360.439 1.240 0 40 FDAB C[C@@H]1C[C@@H](C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 13040322 XXQCWQLDWWSACD-HUUCEWRRSA-N 352.504 1.500 0 40 FDAB CCOC(=O)Nc1ccc2c(COC(=O)Cn3cnnn3)cc(=O)oc2c1 9129313 NJYXVBXMUBZCQW-UHFFFAOYSA-N 373.325 1.091 0 40 FDAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nc1 9154569 HGJQAXJSDOFDRU-UHFFFAOYSA-N 364.427 1.002 0 40 FDAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)Nc1ccccc1Cl 9155824 ABANTYWMTCBDMF-UHFFFAOYSA-N 365.798 1.628 0 40 FDAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O 13692022 CTPIBAYUXNGWOC-IFXJQAMLSA-N 357.410 1.311 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 4515948 HKMCMCCDEDQOOJ-YJYMSZOUSA-N 359.426 1.812 0 40 FDAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4829742 NISYFCNMNCMJDZ-LBPRGKRZSA-N 354.410 1.830 0 40 FDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1c[nH]c2cccc(F)c12 90419683 FGTGHXDTFLLVOM-SUMWQHHRSA-N 361.417 1.774 0 40 FDAB CCOC(=O)C1CCN([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 9514874 HXWGQINLEJIGDY-ZDUSSCGKSA-N 362.426 1.695 0 40 FDAB COc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3)c2N)cc1OC 9576804 JSQLKGNDOYXJBO-UHFFFAOYSA-N 371.372 1.936 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 8086933 GKGYCQDBDQFSDW-WBMJQRKESA-N 350.440 1.378 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)C1=O 16694764 TYUMNSKUVQFCKT-INIZCTEOSA-N 359.411 1.864 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(F)cc2)c1=O 8275262 OADPXTZOZLNYQI-UHFFFAOYSA-N 369.396 1.681 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2)cc1 83895791 YDYYVPQIAWKFLS-HNNXBMFYSA-N 363.435 1.603 0 40 FDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCn1ccnc1 22251680 XERFIOVBOBNITO-UHFFFAOYSA-N 366.443 1.108 0 40 FDAB CC(=O)N[C@@H](C)c1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 9647793 PQLSJBODMDRUQM-LBPRGKRZSA-N 357.410 1.931 0 40 FDAB COCCN1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1=O 91840184 JUOPTCLWLWLQLS-INIZCTEOSA-N 350.459 1.340 0 40 FDAB C[C@H](C1CC1)n1nccc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 70727902 WZKNMUFNQASDRX-LLVKDONJSA-N 373.438 1.531 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C2)nn1 95997881 SYGDZYZRTHJVDD-ZZXKWVIFSA-N 365.315 1.493 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCSCc1ccco1 85601220 GZWAIPJKSKDBHX-HUUCEWRRSA-N 362.451 1.970 0 40 FDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NCCCn1ccnc1C 223410281 YDVYBZGPMJGJMK-QGZVFWFLSA-N 370.453 1.898 0 40 FDAB COc1cccc(OC)c1C(=O)NC(=S)NCCCN1CCOCC1 22288790 NVENXYOHNNQBNM-UHFFFAOYSA-N 367.471 1.030 0 40 FDAB CCC(=O)N1CC[C@@H](NC(=O)NC2CCN(CC(F)(F)F)CC2)C1 178024490 YKLNAECGHJVVGO-GFCCVEGCSA-N 350.385 1.323 0 40 FDAB Cc1ccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)c(C)c1 32508620 XPVIDEJJXJVFJW-KGLIPLIRSA-N 367.496 1.442 0 40 FDAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217516853 UZEWFRDROBKALZ-UHFFFAOYSA-N 356.444 1.690 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1 31042797 SGFKHRDMQWPQMZ-ZDUSSCGKSA-N 362.407 1.165 0 40 FDAB CC(C)N1CCN(S(=O)(=O)c2cncc(Br)c2N)CC1 72210928 RQRMFMHPSOBHTJ-UHFFFAOYSA-N 363.281 1.141 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3nccnc3N)CC2)c1C 36446956 SLHQZENEWWJKAB-UHFFFAOYSA-N 368.441 1.072 0 40 FDAB Cc1ccc(Cn2nnc3c(O)nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 35315544 UIYJKQWUPOTPFZ-ZDUSSCGKSA-N 368.397 1.192 0 40 FDAB COc1ccccc1N1C(=O)/C(=C\N[C@@H]2CCCC[C@H]2N)C(=O)NC1=S 136356553 ZNOIBSHIXKJAAC-QVDRPMGRSA-N 374.466 1.186 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 77264301 MZACNPRHXLSBKE-OAGGEKHMSA-N 354.397 1.712 0 40 FDAB biogenic,in-vitro O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCCC4)CC3)cs2)C1 225464918 IIMMSAYRJLNMRO-OAHLLOKOSA-N 351.516 1.936 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NCCCc1ccco1)Cc1ccccc1F 223148075 ZENUIQIAEVKGKO-UHFFFAOYSA-N 368.430 1.929 0 40 FDAB COc1ccccc1CNC(=O)[C@H]1COCC(=O)N1Cc1cccs1 85472549 RHYXRNWHJYJRFX-OAHLLOKOSA-N 360.435 1.801 0 40 FDAB O=C(NCCc1nccs1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473359 SZKDTYZDZZSZIN-JTQLQIEISA-N 373.413 1.870 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 95476084 RFFBFDMQYWRRNM-HUUCEWRRSA-N 368.503 1.074 0 40 FDAB CN(C)C(=O)CO[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn2C1 247967446 GVHRJBXJHCACLY-LJQANCHMSA-N 372.469 1.389 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)nc(O)c2C1 247960535 VIPNPUPGAQMCFP-KFNAQCHYSA-N 358.442 1.796 0 40 FDAB C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CCO1 25107445 VWCKFRLKTRUNMN-CQSZACIVSA-N 357.410 1.869 0 40 FDAB CC(C)NC(=O)CCNC(=O)[C@@H](C)n1cc(COc2ccccc2)nn1 257173208 GTELUPGPJWPCLN-CQSZACIVSA-N 359.430 1.449 0 40 FDAB CCn1cc(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)c(C)n1 257256961 KNNQYQRLQZKWAB-QZTJIDSGSA-N 359.426 1.463 0 40 FDAB CNc1nccnc1[C@@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 257204635 AVQAOWMONJHTRX-HNNXBMFYSA-N 358.398 1.555 0 40 FDAB CN(CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1)Cc1cccnc1 257295488 QYMPYVOUHQUJSM-KRWDZBQOSA-N 355.442 1.021 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3n[nH]c4ccccc34)C2)ncn1 257278528 OCPODUGAYLKDBU-AWEZNQCLSA-N 351.410 1.993 0 40 FDAB COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1OC 262775738 BPZHDXIKGJREDO-SNVBAGLBSA-N 363.819 1.985 0 40 FDAB Cc1nnc2n1C[C@H](NC(=O)N1Cc3ccccc3N(C)C[C@@H]1C)CC2 378557265 IQEUGLGYRNMMAQ-XJKSGUPXSA-N 354.458 1.951 0 40 FDAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1nc2ccccc2s1 626192083 VALXXHKIODWNSM-SNVBAGLBSA-N 370.456 1.078 0 40 FDAB CN(Cc1cnccn1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 630673599 PKYICLBBMMEGKO-SJORKVTESA-N 354.410 1.553 0 40 FDAB CC(C)(C(=O)O)n1ccc(NC(=O)CN2C(=O)CCc3ccccc32)n1 659203880 LJRPIVQPRDETJZ-UHFFFAOYSA-N 356.382 1.621 0 40 FDAB O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C2CC2)C(=O)C1 673971341 WAIKLTZVAKQJIA-UHFFFAOYSA-N 356.470 1.667 0 40 FDAB Nc1ccc2c(c1)C[C@H](C(=O)O)[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 1616063032 IYAWTWNQFMZVBU-NGOJXBLDSA-N 351.406 1.680 0 40 FDAB biogenic COCCn1cc(C(=O)Nc2cccc(N3CCCNC3=O)c2)ccc1=O 608171953 PAUXGZOVXVMGFP-UHFFFAOYSA-N 370.409 1.667 0 40 FDAB O=C(CN1CCO[C@@](CO)(Cc2ccccc2F)C1)N1CCCCC1 585275767 AGCCMEQIOIZQKG-IBGZPJMESA-N 350.434 1.444 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)n(C)n1 585099126 OCCQNETYJFOQGA-MRXNPFEDSA-N 357.458 1.716 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3nnsc3Cl)CC2)C1 52710243 OTFORYFMYKSKBJ-STQMWFEESA-N 371.938 1.814 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 55402716 WPNCGDFVJWXLAN-KBPBESRZSA-N 358.490 1.910 0 40 FDAB NCCCCCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1777699085 RIRBCYNKTDWXEI-CQSZACIVSA-N 372.425 1.019 0 40 FDAB COc1ccccc1N1CCN([C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 84441936 ZAZHFUDQIIOASI-IXDOHACOSA-N 361.486 1.842 0 40 FDAB c1cncc(Nc2nc(Nc3cccnc3)nc(N3CCOCC3)n2)c1 5255868 BGFXJSLBQQZPGH-UHFFFAOYSA-N 350.386 1.985 0 40 FDAB COc1ccccc1N1CCN(C(=O)Cn2nnc3ccccc32)CC1 14236915 RYSZOLOVCMEHJY-UHFFFAOYSA-N 351.410 1.789 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cccnc1 17169091 ZDYAZFKOODKGSE-UHFFFAOYSA-N 352.394 1.255 0 40 FDAB CCc1nn(C)c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c1C 19521012 FSZKNDCUTZCCFY-AWEZNQCLSA-N 369.469 1.814 0 40 FDAB Cc1cc(C)c2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c(=O)n(C)c2n1 19625529 GJSQEBDMXYITBL-UHFFFAOYSA-N 370.384 1.514 0 40 FDAB Cc1cc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n2ncnc2n1 1888890741 XXPGEOOGLRNCTC-UHFFFAOYSA-N 362.344 1.193 0 40 FDAB NC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 21334670 DEQYLTDMASUVCV-UHFFFAOYSA-N 356.401 1.838 0 40 FDAB CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cn1 23652582 LSNNAKNAYDOETE-UHFFFAOYSA-N 356.492 1.102 0 40 FDAB CSc1nccc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)n1 2087143868 VCGCTDAEHSNSJL-UHFFFAOYSA-N 368.470 1.716 0 40 FDAB O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565551699 VBSRPQLTRFHGTE-INIZCTEOSA-N 368.437 1.582 0 40 FDAB O=C(N[C@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccccc1 820555 HBDRDXKAFYDRNT-LLVKDONJSA-N 362.600 1.835 0 40 FDAB CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4374408 IHFPDLPFFRDAPA-CQSZACIVSA-N 364.833 1.319 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1N1CCCC1=O 10325396 XWEZKDAOEVJHMH-UHFFFAOYSA-N 369.425 1.463 0 40 FDAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1cccs1 17178619 FAZCJRJBSHAHNK-QGZVFWFLSA-N 373.478 1.554 0 40 FDAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cccc(=O)n1C)C2 2055750876 HRFSHDGHBBNEBM-OAHLLOKOSA-N 356.426 1.285 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)/C=C/c2ccsc2)CC1 575615984 MNHMQPFAZSVHKU-ONEGZZNKSA-N 357.501 1.396 0 40 FDAB COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 96116168 CTYPHNSXZONELI-GFCCVEGCSA-N 368.345 1.824 0 40 FDAB biogenic CCCn1c(=O)[nH]c(=O)c2cc(C(=O)OCCCc3ccncc3)cnc21 40050980 OVSBEEGNMXMXJP-UHFFFAOYSA-N 368.393 1.679 0 40 FDAB COc1ccc2[nH]cc(CCNc3c(NCCCN(C)C)c(=O)c3=O)c2c1 100794110 DHUDEMVOXHHEDS-UHFFFAOYSA-N 370.453 1.791 0 40 FDAB biogenic CCOC(=O)C1=NO[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100915320 BMGQDIIYCKQCAZ-MWLCHTKSSA-N 356.256 1.513 0 40 FDAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1OC 101270796 OEVYLFAPFQHDAE-PBHICJAKSA-N 352.346 1.996 0 40 FDAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1)C(C)C 32124462 XOKKHASNEUDXDR-GOEBONIOSA-N 357.414 1.659 0 40 FDAB biogenic CC(=O)N1CCC(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1 32740466 SAQRUCSEPOMIPT-OAHLLOKOSA-N 351.472 1.630 0 40 FDAB Cc1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1 32841307 YOBTUVVKHIPEQS-UHFFFAOYSA-N 364.427 1.663 0 40 FDAB O=C(CCNC(=O)c1ccncc1)NC[C@@H]1CCN(c2ccccc2)C1 52667316 SNBZWGMVMDTLTQ-INIZCTEOSA-N 352.438 1.844 0 40 FDAB Cc1ccc(NC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 8723724 DZAYQKALUAAISI-MRXNPFEDSA-N 353.488 1.968 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1 2943734 UOEOFHGLMAJDFM-UHFFFAOYSA-N 366.421 1.546 0 40 FDAB COc1cccc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)c1 22724001 GOMQYRNLZVXVQO-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB CCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 12408790 XAGBFXOIJRRUBI-UHFFFAOYSA-N 360.483 1.932 0 40 FDAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(OC)c2)cc1 6155656 LEWAHLNECSIRJN-UHFFFAOYSA-N 371.393 1.787 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCSCC1 61718314 LKMZVJJFRKHWLB-HNNXBMFYSA-N 362.499 1.482 0 40 FDAB CC(=O)N1CCC(CNC(=O)N2CCCN(CC(F)(F)F)CC2)CC1 105314019 ZPHSPRDAPYYSBH-UHFFFAOYSA-N 364.412 1.525 0 40 FDAB COc1ccc(C)cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O 8369852 WWTBPIKZOAGEKB-UHFFFAOYSA-N 372.487 1.701 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(N)=O)C(C)C)cc1C 24651812 WUFIIJQEIPDKKM-OCCSQVGLSA-N 356.444 1.023 0 40 FDAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)NC(=O)c1ccco1 24711282 PRIRQHZHFVTKHS-OAHLLOKOSA-N 373.361 1.951 0 40 FDAB Cc1ccc(N2C(=O)CN(Cc3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55387381 ZTPWQCAWNTXOIV-DLBZAZTESA-N 360.435 1.602 0 40 FDAB C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccco1 25460249 GZUISNPUCUIKCH-LLVKDONJSA-N 370.452 1.853 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)C1 100124496 RQCNORRYIIJULM-SSYPUYIZSA-N 368.433 1.771 0 40 FDAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)O)cc32)n1 101945720 TWSPEMHIEXLCDH-GFCCVEGCSA-N 350.400 1.469 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2nccs2)CC1 10270527 ZCSYGOLBKSYFAR-UHFFFAOYSA-N 372.372 1.672 0 40 FDAB CCOC(=O)[C@H](CNC(=O)CNC(=O)c1ccco1)Cc1ccccc1 58218238 QILSVQMZVPHOEU-HNNXBMFYSA-N 358.394 1.548 0 40 FDAB CCn1c(N)c(N(C)Cc2csc(-c3cccs3)n2)c(=O)[nH]c1=O 58356483 HVPVYCUSNIUFHQ-UHFFFAOYSA-N 363.468 1.960 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccccc2)s1 10678888 JOKPRUGBQUULSW-UHFFFAOYSA-N 374.509 1.618 0 40 FDAB CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C 36384041 VVWQJISAWIJQBG-UHFFFAOYSA-N 373.544 1.700 0 40 FDAB Cn1ncc2c(SCC(=O)NC[C@H]3COc4ccccc4O3)ncnc21 36397059 LKNJYPYPOGUYSM-NSHDSACASA-N 371.422 1.412 0 40 FDAB Cn1c(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 48344349 RCUHPUKXPPXAIJ-UHFFFAOYSA-N 372.406 1.383 0 40 FDAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)NC2CCCC2)c1 2646825 UTNGRQCOYYCPDP-UHFFFAOYSA-N 360.443 1.831 0 40 FDAB Cc1coc2cc3oc(=O)c(CCC(=O)NC[C@@H](O)CO)c(C)c3cc12 12894622 YCQSZFUJZKHXAJ-GFCCVEGCSA-N 359.378 1.558 0 40 FDAB biogenic CCOC(=O)C1=C(COC(=O)Cc2c[nH]c3ccccc23)NC(=O)NC1 12982963 LEBWXVUPAKMTNF-UHFFFAOYSA-N 357.366 1.384 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1C(N)=O 12972923 FHVGAGRIYSMCHU-UHFFFAOYSA-N 364.379 1.317 0 40 FDAB COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(S(C)(=O)=O)s1 13629694 BXMYJFSYOKVQTO-QMMMGPOBSA-N 357.413 1.356 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)CC1 5016706 XAHPOZCPJTTZCU-UHFFFAOYSA-N 372.443 1.475 0 40 FDAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)N1CCOCC1 71280533 WDADIHBFSIOHQC-UHFFFAOYSA-N 365.389 1.011 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 71285458 YHQOBDGIDSCHNR-CHWSQXEVSA-N 352.412 1.304 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)C2CCCCC2)C1=O 9153947 IREIDRZSJBXUQB-IBGZPJMESA-N 372.425 1.181 0 40 FDAB Cn1cnc([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 306139084 SOZCOHNWEXRMDC-FOIQADDNSA-N 368.437 1.881 0 40 FDAB Cc1ccccc1CCNS(=O)(=O)c1ccccc1S(C)(=O)=O 24051521 HVYCBLCRMSUCMT-UHFFFAOYSA-N 353.465 1.920 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cnn(C)c3)cc(C(C)C)nc21 25309941 LOAPTPAGKQYTQT-UHFFFAOYSA-N 370.413 1.604 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2ncnc3sccc23)n(C)c1=O 7738181 QPJYEQQUTNMJJR-UHFFFAOYSA-N 374.451 1.231 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 408623146 DGTYNPKFCVQXLH-CYBMUJFWSA-N 350.440 1.757 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 306137835 RHSUYPVYLRCXBN-HUUCEWRRSA-N 352.442 1.260 0 40 FDAB COc1cc2nc(SCC(=O)OC(C)(C)C)n(N)c(=O)c2cc1OC 71768853 ZXANPHORYZMYIM-UHFFFAOYSA-N 367.427 1.561 0 40 FDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(N)=O)cc1F 72309699 JMXSLTORWSNPEQ-INIZCTEOSA-N 372.400 1.746 0 40 FDAB CCOCCOc1ccc(S(=O)(=O)NCC2=CCN(C)CC2)cc1 95993311 RDLVVUAOVKFRFA-UHFFFAOYSA-N 354.472 1.642 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 89532527 SNWBGSRINJWHJE-ZDUSSCGKSA-N 358.441 1.356 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCCO1 89662224 ZYUDREHDQMWENF-ZIAGYGMSSA-N 357.451 1.491 0 40 FDAB CCOC(=O)[C@@]1(C)CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 89978213 CRDAZSLKZAOTGK-UWJYYQICSA-N 372.465 1.879 0 40 FDAB O=C(N1CCN(CCn2cccn2)CC1)C1(c2ccccc2)CCOCC1 62022032 DMJDZGGUSVQANU-UHFFFAOYSA-N 368.481 1.776 0 40 FDAB CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945878 OIGCDNFNLHLUFP-MRXNPFEDSA-N 374.416 1.144 0 40 FDAB O=C(CNCc1ccc2c(c1)OCO2)Nc1ccccc1N1CCOCC1 35311446 MDGACQUVZODOPI-UHFFFAOYSA-N 369.421 1.980 0 40 FDAB CO[C@@H]1CCC[C@H]([C@@H]2NC(=O)N(Cc3ncnn3-c3ccccc3)C2=O)C1 517238923 JTAQOXMFCUZSTJ-LXZKKBNFSA-N 369.425 1.893 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@]12C(=O)Nc1ccccc12 524732507 KSELJELOQMFYER-IBGZPJMESA-N 352.346 1.756 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H]1COc2ccccc2O1 31036866 MOKZKGIEWRAGAL-CQSZACIVSA-N 370.405 1.771 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N=c1[nH]c2ccccc2[nH]1 72402794 QKAPBSGUPNGTGD-GFCCVEGCSA-N 373.438 1.410 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1C 188281700 JJNAFOCUZXYFGZ-UHFFFAOYSA-N 364.471 1.955 0 40 FDAB CC(C)OC(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325789 BJQZJJDVODNJHD-UHFFFAOYSA-N 353.444 1.134 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccnc(OC)c3)ccc21 42621417 ZRRXFPFCMNTDCB-UHFFFAOYSA-N 354.366 1.043 0 40 FDAB CS(=O)(=O)N1CC(C(=O)Nc2ccc(Br)cc2F)C1 70817546 UBEKZNKYERXLEJ-UHFFFAOYSA-N 351.197 1.418 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3Cc3cccnc3)nc2n(C)c1=O 72377300 MXSKFCNRTBVEMO-KRWDZBQOSA-N 365.437 1.754 0 40 FDAB Cc1cccc(C)c1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C 32508626 KSNLCWZEHRXQGD-STQMWFEESA-N 367.496 1.442 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 72374577 IKAZWKABHVZPHJ-CQSZACIVSA-N 370.453 1.528 0 40 FDAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 72360913 IONHVFIOKMEDLL-HNNXBMFYSA-N 369.473 1.861 0 40 FDAB Cc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)c(Br)c1 47196543 XYFMQOCSLVJOHW-UHFFFAOYSA-N 361.261 1.426 0 40 FDAB CN(C)CCNC(=O)c1nc(CC(=O)Nc2cccc3ncccc23)no1 40287912 AKEQBRWMCPNGRO-UHFFFAOYSA-N 368.397 1.090 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2cccnc2-c2ccco2)CC1 225660515 MBRJOHKZMZJXKK-UHFFFAOYSA-N 363.439 1.629 0 40 FDAB COc1cccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 220187416 PYBVFRAUEMEVFL-ZDUSSCGKSA-N 369.487 1.060 0 40 FDAB Cc1nn(CC(=O)N2CCN(c3ncc[nH]3)CC2)cc1-c1ccccc1 577236115 DFTXUBYWRUZFLV-UHFFFAOYSA-N 350.426 1.930 0 40 FDAB c1ccc(CN2CCO[C@@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96049841 COIGFXHPIHWYSW-HXUWFJFHSA-N 354.454 1.580 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccsc1)CCN(C(=O)N(C)C)C2 97952798 BHYSPCIAWBPWIO-SFHVURJKSA-N 364.515 1.786 0 40 FDAB CC(C)Cn1cnc2ccc(NC(=O)c3ccc4nnnn4c3)cc2c1=O 95474640 TWRZZOAKRHQBGW-UHFFFAOYSA-N 363.381 1.743 0 40 FDAB O=C([C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCOCC1 247840436 FGEASTXKDKXFGM-INIZCTEOSA-N 370.409 1.028 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 244909818 AWYHCJALLBYQNN-UHFFFAOYSA-N 369.400 1.691 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CC=CC2)C1 248045550 PPOFIXDORZCANG-HNNXBMFYSA-N 353.426 1.322 0 40 FDAB COc1ccc(N2C[C@@H](c3cc(O)n4ncc(C(N)=O)c4n3)CC2=O)cc1 257308680 TXRURKPAVMKNMJ-JTQLQIEISA-N 367.365 1.063 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257333843 YDIFCDXEJZGMLM-INIZCTEOSA-N 359.455 1.784 0 40 FDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cs1 69597018 CMGLZRYZULNPCA-NSHDSACASA-N 360.443 1.659 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)c2c(C)noc2n1 257213680 CIQGQPMKXUATHG-KBPBESRZSA-N 358.398 1.301 0 40 FDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCCC[C@H]3CCO)C2=O)cc1 250765339 ZZEVMQLARWGHRS-RDJZCZTQSA-N 359.426 1.514 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)c1C 257234350 GTDAJIZGCMSWPZ-HOCLYGCPSA-N 354.476 1.423 0 40 FDAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2S(=O)(=O)c1cn(C)nc1C 257329788 XLNUBUBMSKWWBY-HOTGVXAUSA-N 354.476 1.283 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1F 257245564 IQCVBQWUIOERRE-QAPCUYQASA-N 364.417 1.611 0 40 FDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@H](c2ccnc(O)n2)C1 257286637 PMHSLOFTACMHRR-ZDUSSCGKSA-N 350.382 1.987 0 40 FDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc(O)nn1 530076901 UEESPXFWEDFYME-MRXNPFEDSA-N 350.382 1.669 0 40 FDAB CNS(=O)(=O)C1CCN(C(=O)N[C@H]2c3ccccc3O[C@H]2C)CC1 288460242 SKRPAOUWYGCTLW-XHDPSFHLSA-N 353.444 1.232 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 622294983 KRHYCRNLLKWVSM-UHFFFAOYSA-N 372.410 1.595 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(Cc2nc(Cc3ccccc3C)no2)C1 643815829 SMXJWLVEUBQBCR-IBGZPJMESA-N 358.442 1.432 0 40 FDAB CO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C12CCC2 655316366 LXTLESLODDAZTL-CVEARBPZSA-N 364.467 1.696 0 40 FDAB Cc1nc(C)c(Br)c(NC[C@@H]2CCc3nnc(C)n3C2)n1 596125655 UNAXNACENLAWGT-NSHDSACASA-N 351.252 2.430 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC([C@@H]2CCCNC2)CC1 658962145 WPRYIXCYNRENBO-QGZVFWFLSA-N 354.458 1.578 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095201 JZOFPOUAXJPILX-KBRIMQKVSA-N 360.458 1.355 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@@H]12 585109221 DBQSXICTKMEQST-GGPKGHCWSA-N 365.433 1.556 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)n(C)n1 585112688 SXWQLORVPFGIDM-QGZVFWFLSA-N 357.462 1.287 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 32916419 BIZMDMTZVWYVHN-NSHDSACASA-N 352.865 1.042 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1C(N)=O 47318133 NGAOOBKZZBGLIH-UHFFFAOYSA-N 357.775 1.276 0 40 FDAB CC(C)COC[C@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 37866200 RQPYOCLYNKQFLM-HPEXNQPKSA-N 354.428 1.862 0 40 FDAB NC(=O)c1ccccc1NC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1 12113128 JGRIRODGJQBGID-UHFFFAOYSA-N 371.412 1.847 0 40 FDAB C[C@@H](C(=O)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)c1ccccc1 12144560 YCRYPCNXPRXTJG-CQSZACIVSA-N 368.437 1.295 0 40 FDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)s1 12886655 YWKWCWLSPYBABO-ZDUSSCGKSA-N 350.893 1.527 0 40 FDAB COc1ccc2c(c1)N[C@H](C1CCN(C(=O)C(C)C)CC1)NS2(=O)=O 19085198 HHGKGCQWFLIKCJ-INIZCTEOSA-N 367.471 1.620 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 19237987 QESFRBVKZVLHQK-SUMWQHHRSA-N 354.458 1.627 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccnc(C)n3)CC2)cc1 19287553 NPYPKZCULXWMEH-UHFFFAOYSA-N 362.455 1.300 0 40 FDAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2nccnc21 19289403 GKFFTLSMRQDZEF-ZDUSSCGKSA-N 357.439 1.932 0 40 FDAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(C[C@@H]2CCOC2)CC1 19291257 HHAPAHFHENEUBZ-KXBFYZLASA-N 374.460 1.799 0 40 FDAB CC(C)[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 19446049 AELDBVDALLHUAP-QGZVFWFLSA-N 358.446 1.395 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@@H](C(=O)N2CCCCCC2)C1 19747140 YFNJCLJZQOBLDA-CQSZACIVSA-N 366.487 1.734 0 40 FDAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)Cn3cncn3)CC2)c1 19749910 UUDGUDHZRQRVTL-INIZCTEOSA-N 371.441 1.440 0 40 FDAB O=C1CCCN1CCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909364 XGQZUZOGCUMALY-IBGZPJMESA-N 364.417 1.571 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc32)cc1 4034725 FHIKGLNJPMUADA-OAHLLOKOSA-N 367.409 1.186 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(F)cc1 4370656 UIWOUHGFXGYCIQ-UHFFFAOYSA-N 355.373 1.491 0 40 FDAB CCN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 5195475 JCSNIEWNNVWTSS-CQSZACIVSA-N 350.850 1.792 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCc1ccc(C(=O)OC)cc1 9827425 CMYAFBNKROYRFH-UHFFFAOYSA-N 363.439 1.590 0 40 FDAB Cc1ccoc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781583 RAWNWVVRPNBAHP-UHFFFAOYSA-N 356.426 1.942 0 40 FDAB COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(C)CC2)c1=O 22697827 OUNGZAROXGTCKG-IBGZPJMESA-N 372.469 1.241 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cn3ccccc3n2)o1 36708465 KXUROSVBDMVMJU-UHFFFAOYSA-N 370.394 1.285 0 40 FDAB CN(C(=O)[C@@H]1CCOC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 585594406 KURQMIJHLJDMJA-GFCCVEGCSA-N 358.446 1.105 0 40 FDAB COc1ccc(CCNCC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 28616687 VVFFHHJRKNKVDU-UHFFFAOYSA-N 358.438 1.716 0 40 FDAB O=C(NCc1ccncc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 101448962 JJCSKAXFNIOCSI-IKVWTGGYSA-N 361.401 1.684 0 40 FDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c2ccccc21 101372336 CKOSPKLZPOVRBF-AWEZNQCLSA-N 354.293 1.630 0 40 FDAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1 101499919 OJUOIEXQEYNWDV-RDJZCZTQSA-N 352.346 1.996 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1 32551931 VLYVIPZTDIXQLM-LBPRGKRZSA-N 354.453 1.716 0 40 FDAB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102125442 TYHDZMLRULCORU-HOTGVXAUSA-N 372.421 1.960 0 40 FDAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3CCO)cc1 646721 AGRZXRIFVKKADH-UHFFFAOYSA-N 359.411 1.558 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(O)cc1 3272230 XUUGQYUYLNMOCN-UHFFFAOYSA-N 358.350 1.127 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 3564802 CCWNHKZMEIGMMT-UHFFFAOYSA-N 353.330 1.911 0 40 FDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1CN(C)C 104413198 MSWJUBWRZMQYSG-MRXNPFEDSA-N 369.469 1.626 0 40 FDAB O=C(NCCCN1CCOCC1)[C@H]1CCCN1C(=O)Cc1cccs1 55111321 FEFXPFPNQMHNMQ-MRXNPFEDSA-N 365.499 1.120 0 40 FDAB O=C(Cn1cnc2cc(F)ccc2c1=O)NC[C@@H]1COc2ccccc2O1 8327563 HNNVNYPEKSVVSP-CYBMUJFWSA-N 369.352 1.492 0 40 FDAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cnc2sccn2c1=O 24752393 WCISSFKBHRSAPR-UHFFFAOYSA-N 365.418 1.931 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 24979853 VMFHFAOVMOTISN-AWEZNQCLSA-N 362.407 1.628 0 40 FDAB CC(=O)N[C@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C1CCCC1 43802251 ZZKSXAABNKKVSE-KRWDZBQOSA-N 361.442 1.695 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)cnc12 58277554 NDVRVOWQXLVZQL-OAHLLOKOSA-N 370.453 1.468 0 40 FDAB CCN1C[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1=O 58231960 PSOWMPTZWGGBCI-AAEUAGOBSA-N 353.444 1.104 0 40 FDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 58305512 ZULJEPQCUMTBPL-HZPDHXFCSA-N 359.474 1.456 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc(F)c2)CC1 58392274 VVKXIZKHGPZGRM-INIZCTEOSA-N 351.422 1.805 0 40 FDAB NC(=O)c1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 46724841 SUYUHWMMBJDQBH-UHFFFAOYSA-N 363.421 1.620 0 40 FDAB CN(CCOC(=O)Cc1cccs1)C1=NS(=O)(=O)c2ccccc21 3583413 GMGGVARPDAACCR-UHFFFAOYSA-N 364.448 1.915 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)CCC2=O)cc1F 12959171 FINOCKYCQFQMSA-LLVKDONJSA-N 350.346 1.543 0 40 FDAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 12985140 XEBHUVJZPBNVTM-UHFFFAOYSA-N 368.459 1.185 0 40 FDAB CNC(=O)c1ccc(=O)n(Cc2cc(=O)oc3cc4c(cc23)CCC4)c1 63538360 VVKPAXRGVDZKPZ-UHFFFAOYSA-N 350.374 1.851 0 40 FDAB O=C(C1CCN(Cc2cc(F)cc3c2OCOC3)CC1)N1CCOCC1 49586978 ZXUOLXJSHBQANV-UHFFFAOYSA-N 364.417 1.763 0 40 FDAB 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FDAB CN(CC(=O)NC(=O)NCc1ccco1)C[C@@H]1COc2ccccc2O1 8708300 CBCGHEODJNHPCP-CQSZACIVSA-N 359.382 1.377 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 22691329 SSZNZYHDAAAQRS-CQSZACIVSA-N 350.290 1.629 0 40 FDAB CCOC(=O)C1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 8830445 QYNAEJIBGNVQPL-UHFFFAOYSA-N 371.484 1.306 0 40 FDAB Cc1ccc(S(=O)(=O)NCCN(C)CCC(=O)OC(C)(C)C)cc1 72304974 MKDOQGDMHSNMMU-UHFFFAOYSA-N 356.488 1.937 0 40 FDAB Cc1cc(C)n(CCCNC(=O)COc2ccc(-n3cnnn3)cc2)n1 28237054 XAJCDNZFVZHNRZ-UHFFFAOYSA-N 355.402 1.061 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(C(C)(C)C)no3)ccc21 172834248 XXXPUFPAMRLCCV-UHFFFAOYSA-N 364.427 1.963 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1F 30869330 JHPBETJFEUYIGG-UHFFFAOYSA-N 352.391 1.472 0 40 FDAB NC(=O)c1ccc(N2CCN(C(=O)NCc3ncccc3F)CC2)cc1 527521744 JZFWWTGDEOEMEB-UHFFFAOYSA-N 357.389 1.351 0 40 FDAB O=C(O)c1ccc(N2CCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217500848 LFDVDKLZDJJALM-CYBMUJFWSA-N 354.428 1.442 0 40 FDAB 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XVXRVXACELJPNQ-NZSAHSFTSA-N 357.502 1.943 0 40 FDAB COc1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cn1 21734977 RSMNIQYYGSSTEO-CYBMUJFWSA-N 358.350 1.203 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 1614935835 WLKUVESULMWAEI-ZRQSSWRGSA-N 371.437 1.166 0 40 FDAB COCCN1C[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@@H]2C1=O 1565555174 VFPAEWXPDJBHTF-NEPJUHHUSA-N 357.332 1.277 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1Cl 2951950 ITKNBDQVRZZQHS-UHFFFAOYSA-N 357.797 1.702 0 40 FDAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(OC)c2)n(C)c1=O 4249206 LAOTXDQNYWDMSO-GFCCVEGCSA-N 369.425 1.713 0 40 FDAB Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)s1 8954742 DUMZLNRCFGFEJF-UHFFFAOYSA-N 365.436 1.852 0 40 FDAB CCc1nccn1CC1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 1849680016 XGIVVXCJSFHMNT-INIZCTEOSA-N 352.438 1.957 0 40 FDAB O=C([C@@H]1CS(=O)(=O)CN1C(=O)c1ccccc1)N1CCc2ccccc21 12732336 AWQNLRBOANEMOV-KRWDZBQOSA-N 370.430 1.473 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2ccccc2C(F)(F)F)n1 13634106 GDUXCNFPDMJXCJ-UHFFFAOYSA-N 369.303 1.963 0 40 FDAB C[C@H](OCCCNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 40058853 IOWLEJJASWBXHN-HNNXBMFYSA-N 354.410 1.780 0 40 FDAB CC(C)N(C)S(=O)(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 40105650 PQGYITJNERLCFL-GOSISDBHSA-N 368.547 1.540 0 40 FDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 101013113 IEHQBNFJYIHNLR-CHWSQXEVSA-N 361.361 1.540 0 40 FDAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(Cc1cccnc1)CN2 20572643 KPNGFKUZJMGGCC-UHFFFAOYSA-N 363.421 1.560 0 40 FDAB O=C(NCCN1CCOCC1)c1nccnc1-c1nc2ccccc2s1 20573471 YGACKGPTAIHBGW-UHFFFAOYSA-N 369.450 1.815 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(CO)O1 101359649 DJQTYOPQIZTKNN-OLMMMNRUSA-N 357.362 1.093 0 40 FDAB COC(=O)/C=C(/Nc1ccccc1OCCO)C(=O)NCc1ccccc1 20722155 IELCKDINJFDBFX-GHRIWEEISA-N 370.405 1.843 0 40 FDAB COc1ccc(Cl)cc1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572632 HGKZDLVJFCJQPH-GREKMHCPSA-N 374.824 1.886 0 40 FDAB CN(C(=O)CCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCS(=O)(=O)C1 32780735 JFRPXZFPXZKZNT-CYBMUJFWSA-N 367.402 1.454 0 40 FDAB NC(=O)NCc1ccc(C(=O)OCC(=O)N2CCc3sccc3C2)cc1 22020751 NENPXOGUEQRCQI-UHFFFAOYSA-N 373.434 1.658 0 40 FDAB CCCn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1=O 22923727 DXLKKQXEEIPYLV-UHFFFAOYSA-N 362.474 1.418 0 40 FDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 12324900 FXFPAGPNRPQPBW-UHFFFAOYSA-N 370.363 1.903 0 40 FDAB CCCn1nnnc1NC(=O)c1ccc(I)cc1 6462556 XGMJSFHIDWTHLH-UHFFFAOYSA-N 357.155 1.940 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 12475330 QJFZQCPHRNNUFW-UHFFFAOYSA-N 358.379 1.682 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 8037464 WDSBNTQWCWJGFG-ZDUSSCGKSA-N 357.366 1.826 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CC1 8485437 WMZOENWYRSNDEI-UHFFFAOYSA-N 361.373 1.337 0 40 FDAB Cc1cc(C)c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 35310667 RAFCFYUJLHCXFH-KRWDZBQOSA-N 359.470 1.874 0 40 FDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1ccc(C(N)=O)cc1 12557567 CJEVXQVVXXBFKP-WDEREUQCSA-N 368.393 1.944 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc(NC(=O)C(C)C)n1 44404188 XQZJZBYSDZKWFZ-LBPRGKRZSA-N 355.460 1.984 0 40 FDAB COc1ccccc1CNC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 57753223 JSERYCVVTIYTRY-QGZVFWFLSA-N 353.422 1.224 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)C 57985206 WSCQDUGUEMVHBT-OAHLLOKOSA-N 356.444 1.239 0 40 FDAB O=C(CNC(=O)NCCOCc1ccccc1Cl)NCC(F)(F)F 58168893 JPDRWRMEXFJQII-UHFFFAOYSA-N 367.755 1.834 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)Cn2c(-c3cccs3)noc2=O)c1 58175107 VUNOWALLHMQNGD-UHFFFAOYSA-N 372.406 1.905 0 40 FDAB CCC(CC)NC(=O)[C@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1 58198394 KYOBELWAKXKVJX-MRXNPFEDSA-N 374.441 1.111 0 40 FDAB O=C(NN1CCOCC1)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 56903810 VRZSWXFVYQKUKN-CQSZACIVSA-N 373.482 1.785 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1 58202779 QBEBHISRPWILMN-UHFFFAOYSA-N 370.434 1.915 0 40 FDAB CCNC(=O)C1(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCCCC1 58295515 LOYZGINYOFTRHW-AWEZNQCLSA-N 361.442 1.583 0 40 FDAB CC[C@@H]1CCCCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 84735489 IIEPXUUHPLZTRR-ZACQAIPSSA-N 372.531 1.446 0 40 FDAB COc1ccc(COC[C@H](O)CNC(=O)[C@H]2COc3ccccc3O2)cc1 58377560 JTQXNDDXCLGRNI-DNVCBOLYSA-N 373.405 1.529 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2[nH]c(CC)c(C(=O)OC)c2C)CC1 29489425 VKBJBDSQRYUGHT-UHFFFAOYSA-N 351.403 1.586 0 40 FDAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914650 WOWPFAPTZOUXRU-UHFFFAOYSA-N 363.414 1.837 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccncc1 72325946 TZHUWZNWUPLBQX-KRWDZBQOSA-N 364.405 1.349 0 40 FDAB biogenic CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 12988197 JAVKJYXCIMQWQF-ZDUSSCGKSA-N 373.384 1.864 0 40 FDAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1nccs1)O[C@@H]1OC(C)(C)O[C@H]21 4027680 NVVNHYDQXQRFEH-KZFLBEFCSA-N 356.400 1.478 0 40 FDAB biogenic NC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(F)cc(Cl)c2O)C1 84335060 AUDBUBKKNNHMHP-MRVPVSSYSA-N 358.753 1.065 0 40 FDAB CCN(C(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 39972267 WAYSXJWUNHLTIS-LLVKDONJSA-N 359.831 1.760 0 40 FDAB COC[C@@H](C)n1c(SCc2nc(N)nc(N)n2)nc2ccccc2c1=O 14125350 VOJYLLCLCBPJQG-SECBINFHSA-N 373.442 1.246 0 40 FDAB COc1ccccc1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 14198625 NKUASIOUMVIACI-UHFFFAOYSA-N 362.451 1.717 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 14129273 LLAHMOOBHHAZNZ-UHFFFAOYSA-N 368.455 1.352 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(N)s1 4681049 RUMXJKCMYZJIQH-JTQLQIEISA-N 352.441 1.113 0 40 FDAB COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 9342486 VYEVVRHSRZWQNB-UHFFFAOYSA-N 366.414 1.819 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1cccc(C(=O)NC2CC2)c1 24929781 PEKPHJNFUPFWEG-UHFFFAOYSA-N 366.421 1.653 0 40 FDAB Cc1cccc2cc(CN(C[C@H]3CCCO3)S(C)(=O)=O)c(=O)[nH]c12 9510482 VHEUKWRYEJQXTH-OAHLLOKOSA-N 350.440 1.777 0 40 FDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 408592238 JNCBRYIMLAPWPD-AWEZNQCLSA-N 362.451 1.721 0 40 FDAB O=C1CN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CCN1 17818388 XAHZKBLSQXMXPN-UHFFFAOYSA-N 365.389 1.174 0 40 FDAB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@@H]12 8744330 CIGFYRKJIWKRFM-BEFAXECRSA-N 355.463 1.994 0 40 FDAB Cn1c(=O)n(CCC(=O)Nc2cccnc2-n2cccn2)c2ccccc21 23170768 PCRCHSRBPAXIFY-UHFFFAOYSA-N 362.393 1.950 0 40 FDAB COCCCNC(=O)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 39998273 NXFJYXIKULXLHD-UHFFFAOYSA-N 373.419 1.976 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408600825 CQFLMXPOVBHWTG-OLZOCXBDSA-N 358.460 1.292 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 24839376 KUONZGNFLPVOHR-UHFFFAOYSA-N 365.407 1.864 0 40 FDAB CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC(=O)N(C)[C@@H](C)C1 506522777 QXDJEGHCJOFADL-AWEZNQCLSA-N 356.426 1.964 0 40 FDAB CN1CCN(CCCCNC(=O)N2CCN(c3ccccc3)CC2)CC1 31151847 QQZNBCTYWYMKIG-UHFFFAOYSA-N 359.518 1.546 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCCCC3)[C@@H]2O)cc1 77264712 GNDWIYXZDHBNTA-KURKYZTESA-N 368.499 1.324 0 40 FDAB biogenic,in-vitro O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 563371833 SCFLAFCNRRABCP-HNNXBMFYSA-N 368.430 1.077 0 40 FDAB COc1cccc(-c2nc(C)c(C(=O)NCC(=O)NCC(=O)O)s2)c1 40309436 RDHHVPBKSZYDQT-UHFFFAOYSA-N 363.395 1.058 0 40 FDAB biogenic CCCS(=O)(=O)N1CC[C@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 96219927 MUXNILKDRLRUSH-IRXDYDNUSA-N 353.488 1.487 0 40 FDAB CN1C(=O)C[C@H](Nc2nc(O)c3cnn(C)c3n2)[C@H]1c1ccc(F)c(F)c1 535719562 YTKRWZFILCJAFQ-GXTWGEPZSA-N 374.351 1.731 0 40 FDAB CC(C)Cc1sc(Cl)nc1C(=O)N1CCN(S(C)(=O)=O)CC1 96231564 IJKWJIQPDDIRTA-UHFFFAOYSA-N 365.908 1.712 0 40 FDAB CN(C)C(=O)C[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96242054 QSQAZJOFFJULBB-AWEZNQCLSA-N 350.484 1.945 0 40 FDAB O=S(=O)(c1cc(NC[C@H]2CCCOC2)ccc1F)N1CCOCC1 330311451 VTGOLOFQEKMOIZ-CYBMUJFWSA-N 358.435 1.685 0 40 FDAB CC(C)C(=O)N[C@@H]1COC2(CCN(S(=O)(=O)c3cccs3)CC2)C1 96220652 SMFBDXXHRSKDOT-ZDUSSCGKSA-N 372.512 1.833 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1cccc(F)c1 96115531 RSPPFQDTGNWQRG-INIZCTEOSA-N 355.369 1.625 0 40 FDAB biogenic Cc1c(-c2ccccc2)[nH]c(S[C@H](C)C(=O)N2CCNC2=O)nc1=O 95941631 MZQWPYODCNEQJO-LLVKDONJSA-N 358.423 1.778 0 40 FDAB CCn1cc(CN2CCC3(CC2)CN(S(C)(=O)=O)C[C@H]3COC)cn1 249699629 WXRAISGPZFDIII-INIZCTEOSA-N 370.519 1.023 0 40 FDAB CCc1noc([C@@]2(O)CCN(C(=O)NCc3noc4c3CCCC4)C2)n1 585083206 WQKRSJCMGFGKKJ-QGZVFWFLSA-N 361.402 1.302 0 40 FDAB Cc1nc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)co1 257240206 HSNNPFBFDCLSSE-LRDDRELGSA-N 361.373 1.907 0 40 FDAB Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCN(S(C)(=O)=O)C2)n1 257288665 PVCNGIZTTHGNHS-LBPRGKRZSA-N 361.423 1.899 0 40 FDAB COCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257211456 BYXMWRBQWFJCIH-MAUKXSAKSA-N 352.381 1.966 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)Cc4ccccn4)C3)ccnc12 257301164 RXGDGZGRZRIXKS-ZDUSSCGKSA-N 364.409 1.043 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)C1 25133956 HQQKZHWPXXQDEQ-LBPRGKRZSA-N 368.380 1.886 0 40 FDAB NC(=O)N1CCC[C@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 673349245 GUYASUTWQCBSAG-LLVKDONJSA-N 366.853 1.251 0 40 FDAB CCOc1cncc(CN2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)c1 598672210 MZXAUKYLUCEERC-QGZVFWFLSA-N 364.471 1.668 0 40 FDAB CN1CC[C@@H]2CCN(C(=O)c3cnn4c(-c5cccnc5)ccnc34)[C@@H]2C1 635780914 WARLIOZUOPAZJI-RDTXWAMCSA-N 362.437 1.958 0 40 FDAB Cc1ncc(CN2CCN([C@@H]3CCCCN(CC(=O)O)C3=O)CC2)s1 643875299 QNHDBKUYXCMXSZ-OAHLLOKOSA-N 366.487 1.035 0 40 FDAB O=C(O)c1ncsc1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 656179945 COAPDILYZFZKRA-RQJHMYQMSA-N 374.362 1.620 0 40 FDAB Cn1cc(-c2noc(CNC(=O)CNC(=O)OCc3ccccc3)n2)cn1 390830844 NUKFWJCZQNOSFN-UHFFFAOYSA-N 370.369 1.013 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CCCC1)CO2 575404320 MXAYTRAIZQUAQD-MRXNPFEDSA-N 351.491 1.393 0 40 FDAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccccc2)C1 575420631 DABGGBWUPPIGKD-CYBMUJFWSA-N 355.437 1.658 0 40 FDAB Cn1ccc(C(=O)N2CC(F)(F)C[C@@]3(CCN(CC4CC4)C3=O)C2)n1 585093417 VQHDIDAVCBMYPR-INIZCTEOSA-N 352.385 1.530 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C3CCOCC3)CCC2=O)cc1C 89830819 UOJYSFVUKQDDKW-HKUYNNGSSA-N 374.481 1.950 0 40 FDAB Cc1cc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)ccn1 1615159784 HRBGNVVEQIOKSQ-ZWKOTPCHSA-N 350.459 1.925 0 40 FDAB Cn1c(=O)c2c(ncn2CCOc2ccc(Cl)cc2Cl)n(C)c1=O 5172962 REBHHCPQNDSTQJ-UHFFFAOYSA-N 369.208 1.820 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 14607666 XIFAIJWJKIENMR-HNNXBMFYSA-N 357.414 1.314 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc[nH]n4)[C@H]3C2)cc1 19211841 LGHLQJDCRJDDIP-INWMFGNUSA-N 360.439 1.157 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)c1cn(C)nc1C)CC2 19583658 WYSPOIWZVJWVGY-CYBMUJFWSA-N 372.469 1.981 0 40 FDAB CN(C)c1ncc(CN2CCc3c(O)nc(-c4ccccn4)nc3C2)cn1 19585550 VHQWRRKBRJKAIK-UHFFFAOYSA-N 363.425 1.659 0 40 FDAB COCCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19593145 XLBMBESQDQDJLY-HNNXBMFYSA-N 360.389 1.804 0 40 FDAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3ccc(O)nn3)c2)C1 19712277 NGBUPKPPEQOXFJ-GOEBONIOSA-N 356.382 1.791 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)n1 19749092 LGARBKAYNAYRAC-CQSZACIVSA-N 356.430 1.426 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 19819975 YIRBTFBBEBMWTN-GFCCVEGCSA-N 370.388 1.863 0 40 FDAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CCO)CC1 23673196 FJJASXICRFREHQ-UHFFFAOYSA-N 372.796 1.657 0 40 FDAB COc1cc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)on1 1614928402 NFXGAQATGRUSEV-SFHVURJKSA-N 356.382 1.738 0 40 FDAB O=C1[C@H](N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)CCN1CC(F)(F)F 2086918799 UHGZUNJPOJHKAN-SGMGOOAPSA-N 372.366 1.752 0 40 FDAB CC[C@H](CO)n1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 12418846 DQFLVWTXOZREKX-CYBMUJFWSA-N 357.410 1.658 0 40 FDAB Cn1nc(NC(=O)c2cnccn2)c2c1NC(=O)C[C@@H]2c1cccs1 36705638 MOHQIOJZPKXHIE-SECBINFHSA-N 354.395 1.998 0 40 FDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnc3ccccc31)C2 225666630 MMEIKBONWMYIKB-KBPBESRZSA-N 362.455 1.108 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)n1 102037764 ZCQOKTUHTJWITP-VDUILEQBSA-N 352.412 1.934 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC(C)C)cc1 30848553 WQHTWQHYGOMCJH-MRXNPFEDSA-N 364.442 1.908 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2Cl)CC1 32511402 PYVDQCZMQHEBNW-GFCCVEGCSA-N 366.849 1.332 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32657626 JYPFDPDGNRJVQM-IAGOWNOFSA-N 373.453 1.722 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(N2CCOCC2)nc1 21589072 LIKCAIXMZWSPPR-UHFFFAOYSA-N 365.393 1.336 0 40 FDAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(S(N)(=O)=O)cc1 33047844 DCRUDWNLHDEZHN-YLSINNKHSA-N 366.464 1.985 0 40 FDAB CC(C)CNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 838129 PMHLHIRJQZPNRE-UHFFFAOYSA-N 359.405 1.689 0 40 FDAB CSc1cccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)c1 61721926 ZMJVBSRDRSESQX-UHFFFAOYSA-N 360.439 1.441 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl 6950178 UYLDBGCAXAATFC-UHFFFAOYSA-N 370.814 1.765 0 40 FDAB Cc1ccnc2nc(C(=O)NCCOc3cccc4c3OC(C)(C)C4)nn12 24450996 MKMOJHYQCFRKIE-UHFFFAOYSA-N 367.409 1.955 0 40 FDAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCCCNC(N)=O 8302961 QYRJOQNYMWCDCU-UHFFFAOYSA-N 354.838 1.966 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)NC2CCCCC2)c(=O)[nH]c1=O 8405423 GOOFEJTZOCRGJO-UHFFFAOYSA-N 351.451 1.788 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc(OC(F)F)c2)c1 50247093 NHGXLGPXTJWGCO-UHFFFAOYSA-N 358.366 1.748 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Sc2nc(N)c3ccsc3n2)CC1 25607847 OOMVRDKEFXBPNI-SNVBAGLBSA-N 351.501 1.918 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCC2 25767583 JMXXFTQGXCRYQL-UHFFFAOYSA-N 351.453 1.939 0 40 FDAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1OC 9063868 PPNIQGQLXOZFOC-UHFFFAOYSA-N 363.439 1.709 0 40 FDAB O=C(NC[C@H]1CCCO1)C1CCN(Cn2ncc3ccccc3c2=O)CC1 26661164 JBWWUOHZCLQHHI-QGZVFWFLSA-N 370.453 1.361 0 40 FDAB CCc1ccc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1 26725972 HEQLUJJKTXQJNU-UHFFFAOYSA-N 350.426 1.958 0 40 FDAB O=C(NC1CCN(CCn2nc3ccccn3c2=O)CC1)c1ccccc1 26911197 BEOMWQNWLMMFCN-UHFFFAOYSA-N 365.437 1.390 0 40 FDAB CCCn1nc(C(=O)NCCCN2CCOCC2)c2ccccc2c1=O 12767134 WVSVOPXHSMNJGT-UHFFFAOYSA-N 358.442 1.259 0 40 FDAB NC(=O)[C@H]1CCCN1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 58145804 ZTQNOUQAJBDHMO-CQSZACIVSA-N 373.425 1.068 0 40 FDAB CCN(CC(=O)N(C)C)S(=O)(=O)c1cnn(Cc2ccccc2)c1 58192466 TWCKJNQDKCNYNT-UHFFFAOYSA-N 350.444 1.030 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 27614796 WFHDGHUGPVJKFM-UHFFFAOYSA-N 373.476 1.657 0 40 FDAB CCn1c(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 58368203 PWQYJPKCDZSRGH-ZDUSSCGKSA-N 364.471 1.632 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103037558 XCGWOJVPCGDQCY-CHWSQXEVSA-N 358.394 1.977 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c2cnn(C)c2n1 95458941 GRKDDCYMKNDYGF-MRXNPFEDSA-N 368.441 1.841 0 40 FDAB Cc1noc(C)c1CC(=O)NCc1ccccc1S(=O)(=O)N(C)C 58527625 BAJVZXSABILDJC-UHFFFAOYSA-N 351.428 1.401 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1C 36389757 IVEOGXVVAARMFS-UHFFFAOYSA-N 367.515 1.382 0 40 FDAB O=C(Cc1noc(C(=O)NCc2ccccc2)n1)NCc1ccccc1 36360081 TWJNAGXWIUUVPA-UHFFFAOYSA-N 350.378 1.859 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccnc3OC)CC2)nc1 29293256 XBXSJVDYZAHOQT-UHFFFAOYSA-N 370.409 1.624 0 40 FDAB CCOC(=O)NC(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C 3499795 YONLGNDGKMMEKP-UHFFFAOYSA-N 359.382 1.978 0 40 FDAB NC(=O)c1cc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc(C(N)=O)c1 12996030 NOMPONSCTBGXNN-CQSZACIVSA-N 372.450 1.722 0 40 FDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCCCn2ccnc2)c2ccccc21 9060339 RAZCFVOSRXZLPY-MRXNPFEDSA-N 369.425 1.002 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4156532 QBJVVPUOAUUXKD-WVMBZCLNSA-N 369.373 1.228 0 40 FDAB CC(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCC(=O)N2)cc1 13608831 VUEXDJJFWROYAE-HUUCEWRRSA-N 361.467 1.929 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1ccccn1 13693063 YNOCZFQXYRNEEE-UHFFFAOYSA-N 373.365 1.140 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 13637686 TXPHSFXNALZVMN-QMMMGPOBSA-N 370.232 1.259 0 40 FDAB NC(=O)CCc1nnc(S[C@H]2CCCCNC2=O)n1Cc1ccco1 22749843 ALCPHUHWHGBBKC-LBPRGKRZSA-N 363.443 1.098 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)OCO2 5166070 BJXKGPZZCRDOEV-UHFFFAOYSA-N 367.317 1.447 0 40 FDAB CCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002614 ITBVRWPRCIULIL-CYBMUJFWSA-N 353.423 1.185 0 40 FDAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)OC 4673490 ZKBGOVCAQHOHEB-BJMVGYQFSA-N 354.746 1.471 0 40 FDAB CCN1CCN(C(=O)CC2CCN(Cc3cccc(C(N)=O)c3)CC2)CC1 66568483 RSPLWKJUWJSMKK-UHFFFAOYSA-N 372.513 1.552 0 40 FDAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)N[C@H]1CCS(=O)(=O)C1 4847044 OKLTZCWUIASYFI-ZETCQYMHSA-N 367.757 1.078 0 40 FDAB CCn1c(CCC(N)=O)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 7227340 LFRAMPJERAZMBC-INIZCTEOSA-N 373.482 1.828 0 40 FDAB C[C@@H](OC(=O)c1cc(Br)ccc1N)C(=O)N1CCNC1=O 7203756 NKSSFSUSCKVURY-SSDOTTSWSA-N 356.176 1.128 0 40 FDAB CCN1CCN(C(=O)c2cc3c(=O)n4cc(C)ccc4nc3s2)CC1 17288406 YDBQUISXVMYJFY-UHFFFAOYSA-N 356.451 1.995 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 22523959 KWUYSXDNWQVOAK-QGZVFWFLSA-N 360.435 1.872 0 40 FDAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCNC(=O)C4)c(C)c3cc12 8764978 FVFIVCPTMVMUMV-UHFFFAOYSA-N 368.389 1.965 0 40 FDAB biogenic CN1CCN(c2ccccc2NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 75109205 DSBPDVZLVQEWDN-KRWDZBQOSA-N 366.487 1.137 0 40 FDAB CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)N1CCOCC1 75109132 XPPAWRXLUGAODK-INIZCTEOSA-N 363.414 1.463 0 40 FDAB COc1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 29437568 YGJKYEFBJWMUKF-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 175886005 LSXJUCBFPBURRL-IRXDYDNUSA-N 369.473 1.825 0 40 FDAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NC1CCCC1 36596580 JBQSDPBCPZMNOH-CQSZACIVSA-N 373.409 1.879 0 40 FDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N[C@H](C)c2cccnc2)nn1 75164067 SMLQJMYJZCJXIU-CXAGYDPISA-N 367.409 1.906 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(=O)[nH]cc2C)n1 38486319 RNUPPKINBJFISH-UHFFFAOYSA-N 368.440 1.371 0 40 FDAB COc1cc(-c2cc(C(=O)N[C@@H]3CC(=O)N(C)C3)[nH]n2)cc(OC)c1OC 77196615 FRZZWEOBXMOPLQ-LLVKDONJSA-N 374.397 1.063 0 40 FDAB CCCSc1nnc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 224236069 KCRQQWMJHGAWJZ-VIFPVBQESA-N 364.518 1.650 0 40 FDAB Nc1ccc(-c2ccc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 40167338 BUHCZGHZQKAPGB-CVEARBPZSA-N 359.476 1.796 0 40 FDAB O=C(O)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058365 YRPAEPXKEWAFHN-AWEZNQCLSA-N 372.418 1.350 0 40 FDAB CCCNC(=O)CNC(=O)Nc1cccc(I)c1 40023944 CBMWQCHTIQOHCP-UHFFFAOYSA-N 361.183 1.939 0 40 FDAB COCc1cc(N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)ncn1 577889004 NBCHDNNZZDZERO-KRWDZBQOSA-N 372.425 1.882 0 40 FDAB Cc1occc1C(=O)N1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1 96059517 XMNPJNPHOCLZPZ-UHFFFAOYSA-N 368.397 1.104 0 40 FDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96253287 SSPWAVYIYWEEAC-SOLBZPMBSA-N 356.426 1.592 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 96226123 GAPGTZQBZKEAKQ-KRWDZBQOSA-N 371.422 1.846 0 40 FDAB C[C@H](NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)C(=O)O 584906343 HJXUFNRLYWVCKB-AVGNSLFASA-N 358.398 1.187 0 40 FDAB CC(C)C(=O)N1CCN(Cc2nccs2)C[C@]2(CC(=O)N(C)C2)C1 96036052 NXOJIEJLFOLRPO-QGZVFWFLSA-N 350.488 1.292 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2cccn2C)n(C)n1 247936816 SSUOJEPQPFBWOX-MRXNPFEDSA-N 371.485 1.478 0 40 FDAB O=S(=O)(c1ccc(NCCCN2CCOCC2)nc1)N1CCCC1 25285758 HSYWGGIGHJTYBV-UHFFFAOYSA-N 354.476 1.000 0 40 FDAB O=C(CCc1cccc(F)c1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257254069 KBKWZSURZHOPNY-ROUUACIJSA-N 350.434 1.442 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccccc2OC)n1 257295198 QXJGHBFJPJUZJE-OAHLLOKOSA-N 356.426 1.978 0 40 FDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cccc(CN)c1 585287686 ASXKMYQEOFRLPY-OXJNMPFZSA-N 359.470 1.824 0 40 FDAB COCC1(C2CCC2)CN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 664834264 VREIFBHXDNVQHO-HIFRSBDPSA-N 373.519 1.162 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccc(F)c3)C2)OC1 585103918 DQKHMESOLUMHGE-OAHLLOKOSA-N 356.463 1.746 0 40 FDAB Cn1c(O)nnc1[C@@H]1C[C@@H](O)[C@@H](CNC2CCC3(CCCO3)CC2)C1 685941107 RIYYGNXBLZYKPZ-UBKQEKKBSA-N 350.463 1.457 0 40 FDAB CO[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C 96105000 RYOIESMPFRXSRK-MRXNPFEDSA-N 354.472 1.470 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)n3cncn3)[C@H](C)C2)cc1 106177641 UMWJRPGCXVDTTO-KGLIPLIRSA-N 357.414 1.363 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 5252058 WLUQPMGUGRRDJQ-NSHDSACASA-N 355.398 1.528 0 40 FDAB CN1CC2(CCC(C(=O)N3CCOCC3)CC2)Oc2ccccc2C1=O 12086823 ALUGPPRGEQANDQ-UHFFFAOYSA-N 358.438 1.939 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Cl)c2)c1 12776108 PHJFZGOHZKFIJR-UHFFFAOYSA-N 369.830 1.391 0 40 FDAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)c3cnccn3)CC2)on1 13226332 JPFZPVZGALUJRY-UHFFFAOYSA-N 366.381 1.955 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19238258 HKCJPFYMSQKPIN-JKSUJKDBSA-N 368.485 1.937 0 40 FDAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)c(OC)c1OC 19552728 JWWCPPNTRUMDFW-HOTGVXAUSA-N 350.459 1.743 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)c1 19711133 DBWRHZMZPXNYPR-UHFFFAOYSA-N 369.469 1.681 0 40 FDAB Cc1cc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)on1 1888869394 HCTLTCCJVGHHCO-CALCHBBNSA-N 361.467 1.877 0 40 FDAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC(C(N)=O)CC3)ncc12 1889078013 KDLNTDMXIUORGT-UHFFFAOYSA-N 355.442 1.917 0 40 FDAB CCc1ccc(C(=O)NC[C@H]2CCc3ncc(C(=O)NCCOC)n32)cn1 1565550676 GKJDIFJFQAVSNK-OAHLLOKOSA-N 371.441 1.134 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)[C@]4(C)CC=CCC4)C[C@H]2O3)CC1 1565550093 OYOCEBOPGSZHRU-TVKQPGBESA-N 361.486 1.123 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)CCc1ccc[nH]1)C2 2055754629 LAVPUHLQCXEDIV-AWEZNQCLSA-N 373.457 1.077 0 40 FDAB CN(C)C(=O)COCc1n[nH]c2c1CN(C(=O)c1cccc(Cl)n1)C2 2055713523 ZYZCGNYPDYJRKS-UHFFFAOYSA-N 363.805 1.219 0 40 FDAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCOCC1 21156198 UNEXGRZDDSXLQM-QGZVFWFLSA-N 374.416 1.292 0 40 FDAB CC(=O)N1CCO[C@@H](CN2CCN(c3nsc4ccccc34)CC2)C1 2086856923 WUNUOXFDFXXSPF-HNNXBMFYSA-N 360.483 1.666 0 40 FDAB Cc1cc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)c(C)o1 206905182 PWXNDMXDGYINJT-UHFFFAOYSA-N 353.386 1.230 0 40 FDAB CCN1CCN(C(=O)N2CCS[C@H](c3ccco3)CC2)C(=O)C1=O 219437983 HIRMILHBCVJSKW-ZDUSSCGKSA-N 351.428 1.570 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)c1 575614110 WSRFKXXZEDFUOH-CYBMUJFWSA-N 369.422 1.625 0 40 FDAB O=C(c1cnccn1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585500854 QTWYUUJDKPIBFB-UHFFFAOYSA-N 353.426 1.465 0 40 FDAB Cc1ccccc1Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C 21928594 KOXUUBHWOZPUOW-UHFFFAOYSA-N 367.457 1.530 0 40 FDAB COC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1[C@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@@H]13 247858196 VEGDJTLZYKPHPF-USQZFWSYSA-N 371.389 1.499 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C)nc1 40040015 RGEBDHNTUUMNOC-UHFFFAOYSA-N 352.394 1.915 0 40 FDAB CCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20744681 URVVIVJFLYGXTG-QGZVFWFLSA-N 362.405 1.186 0 40 FDAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCNc3ncccn3)CC2)C1 52899711 FETYMPSVGLYMHV-HNNXBMFYSA-N 359.474 1.776 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 22427933 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1.573 0 40 FDAB c1cc2c(cc1-c1n[nH]cc1CNC[C@H]1CN(C3CC3)CCO1)OCCO2 106380177 BXQTUIGLXWXGLG-KRWDZBQOSA-N 370.453 1.801 0 40 FDAB COC(=O)[C@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccc(Cl)cc1 1388691 FYJXOMLVELCADQ-GHMZBOCLSA-N 358.803 1.961 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 34799551 KPQHXGMMDMSOKR-KGLIPLIRSA-N 369.473 1.932 0 40 FDAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 100099579 VCWGCAOKJPQZAV-OKILXGFUSA-N 358.394 1.984 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 12507860 AKONLERFIHUGOD-UHFFFAOYSA-N 359.407 1.479 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)s1 107352315 PISRKMPQJXCHMX-AAEUAGOBSA-N 357.501 1.241 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCCN1C(=O)c2ccccc2C1=O 9740204 KAIBUUHCLVZMDF-UHFFFAOYSA-N 355.394 1.927 0 40 FDAB Cc1nc2cc([C@H]3CCCN(C(=O)CCn4cncn4)C3)nn2c(O)c1C 100137700 OQUUVAXRAJVNGJ-AWEZNQCLSA-N 369.429 1.440 0 40 FDAB COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 35344127 GAJYGFKCMIFVQQ-UHFFFAOYSA-N 367.449 1.885 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 26455337 LOSGGYFXWUWTSY-RDTXWAMCSA-N 359.451 1.971 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 108459171 RNPDYZXFLDQTOW-XQQFMLRXSA-N 357.480 1.072 0 40 FDAB C[C@@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCNC1=O 57958390 KEOPKTTZSMOARZ-CQSZACIVSA-N 362.499 1.630 0 40 FDAB COc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102082837 LLPSZIWVGXFRJN-GBALJZQLSA-N 352.390 1.687 0 40 FDAB Cc1cccc([C@@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)c1 21123186 HYEBAJUWAPRMEK-KRWDZBQOSA-N 366.465 1.812 0 40 FDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 58185893 BPULQHRPOIEEOB-MRVPVSSYSA-N 365.224 1.474 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)NCc1ccco1 12769615 JNSQRQPVYLVSFI-UHFFFAOYSA-N 355.398 1.960 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 58326229 XLPXJIYGAWKZBC-AWEZNQCLSA-N 374.441 1.291 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H](CO)C(C)C)C(C)C)c1 95983084 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364.430 1.209 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(N)s3)C2)cc1 222639749 FOZVUXGMXRJVDI-SNVBAGLBSA-N 354.457 1.697 0 40 FDAB COc1cccc(CC(=O)N2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)c1 96218424 UQNVMMXADYPPST-BHYGNILZSA-N 357.410 1.788 0 40 FDAB Cc1cnc(N2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)nc1 96100425 IJIJVMNAVFMTAF-UHFFFAOYSA-N 368.485 1.989 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 96038944 QQTJPJYXKRESRS-GUDVDZBRSA-N 352.438 1.772 0 40 FDAB Nc1ccc(/C=C/c2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)O)c1 90155894 GFOFQQQMORSWMK-DAFODLJHSA-N 355.393 1.933 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(Cc1cccnc1)C2=O 96062945 CEAUIWCQTQXNQW-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245229508 ADFSMYPLWQQDJX-GJRWTSMGSA-N 362.401 1.803 0 40 FDAB COC[C@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242750344 ZMQZTOVLBDASGG-KSZLIROESA-N 361.419 1.699 0 40 FDAB COc1ccsc1S(=O)(=O)NCc1ccncc1OCCN(C)C 585083837 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SHVVTHNVWZTHPH-UHFFFAOYSA-N 365.393 1.407 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cncc(OC)c1 585124176 LGJBPNGKVPWJLQ-ZIAGYGMSSA-N 352.416 1.115 0 40 FDAB CO[C@@H]1CCN(CC(=O)Nc2nonc2C)C[C@H]1Cc1ccc(C)cc1 585276494 MDFOSQQPONOQEU-IAGOWNOFSA-N 358.442 2.205 0 40 FDAB O=C(c1cnn2cccnc12)N1CCO[C@](CO)(Cc2ccccc2)C1 585273447 VOSRQUNSZVYKBQ-LJQANCHMSA-N 352.394 1.176 0 40 FDAB O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC(n3cccn3)CC2)C1 96000079 ADLLPNZSZIZDBC-UHFFFAOYSA-N 374.466 1.374 0 40 FDAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)NC5CC5)nc4c23)C1 12184181 SFBORCQZFSOGRH-VIFPVBQESA-N 357.439 1.509 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 19577720 UNEQCWOUQAIUAA-QRWLVFNGSA-N 374.485 1.807 0 40 FDAB CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)CC2 19706180 IDEAOGLFFFOMJG-QGZVFWFLSA-N 369.469 1.899 0 40 FDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccc(F)cc1)C2 19767303 CVFXUOBNGWXNOZ-HNNXBMFYSA-N 359.405 1.605 0 40 FDAB Cc1c(Cl)cccc1NC(=O)C[C@H](NCCN1CCOCC1)C(=O)O 22460746 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52969400 NTJNRFOSUTWECN-UHFFFAOYSA-N 365.393 1.245 0 40 FDAB CCn1ncc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1C 2805141 BTQHQDJZBXDSPW-UHFFFAOYSA-N 353.444 1.750 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1C[C@@H]1C)n2CCC 22403805 OZTBTTNVATXNDL-RYUDHWBXSA-N 362.430 1.796 0 40 FDAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc12 12389776 WIBCURBFAYSMRR-UHFFFAOYSA-N 357.366 1.824 0 40 FDAB CN1C[C@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 1612210 HGOIZBXGKQHHEE-CIQROCNKSA-N 369.461 1.763 0 40 FDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3F)cc2N1 42254170 ONHBNPJCKIMJEX-UHFFFAOYSA-N 368.317 1.414 0 40 FDAB Cc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(F)c1 47337758 DXDFKPOTNKQEDY-UHFFFAOYSA-N 362.405 1.433 0 40 FDAB CCc1cccc(C)c1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4943425 UGHGHQCSIRKZSG-UHFFFAOYSA-N 369.425 1.333 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 6880398 CBDYQLRTNNLOSF-UHFFFAOYSA-N 372.487 1.685 0 40 FDAB COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298628 XIFIBIODRLQQQX-LXZKKBNFSA-N 359.430 1.044 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 61717745 FMZYKPILOLWHOX-AWEZNQCLSA-N 361.467 1.123 0 40 FDAB COCCCNC(=O)c1nc(O)c2nnn(Cc3cc(C)ccc3C)c2n1 8772987 GOTJMTYZVIUOPI-UHFFFAOYSA-N 370.413 1.358 0 40 FDAB COc1ccc(CNS(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1 1387523 ZSFMTLDKUDYQGM-UHFFFAOYSA-N 366.439 1.837 0 40 FDAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1cnc2sccc2c1=O 25181996 WWSUVQBXHXVVKX-UHFFFAOYSA-N 369.402 1.834 0 40 FDAB Cc1nc2ccc(N[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2s1 12517156 DHCXVYUZUKWXJF-QMMMGPOBSA-N 373.438 1.268 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107327779 WBYNZFZKBYPXCB-SDJAHQOYSA-N 361.442 1.704 0 40 FDAB Cc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1S(C)(=O)=O 48234844 UREHRMKPDQPQKA-UHFFFAOYSA-N 370.434 1.909 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 100116682 AQGJMCAKNKITQR-GASCZTMLSA-N 373.428 1.650 0 40 FDAB C[C@@]1(c2ccccn2)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 58343445 AYDGSDYVDYMNSC-UGSOOPFHSA-N 359.357 1.428 0 40 FDAB CCOC(=O)Cn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C 2235057 UOCISCJKXCETET-UHFFFAOYSA-N 355.394 1.577 0 40 FDAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC2CCCC2)=C1 20220004 VKWPQDXGRJSSCK-UHFFFAOYSA-N 363.439 1.617 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccnc(N3CCCC3)n2)C1 100174893 HJUIMUALIMZNET-HOTGVXAUSA-N 351.454 1.858 0 40 FDAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCOCC2)c2ccc(F)cc21 36358680 AMIDUWGTRTYQDL-MRXNPFEDSA-N 350.346 1.713 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1cncc(Br)c1 36398191 IBNIXXSZGARIJJ-UHFFFAOYSA-N 359.187 1.750 0 40 FDAB COc1cc(OC)nc(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)n1 11294229 KYYJGHITOBGJNO-LBPRGKRZSA-N 374.397 1.204 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCn1cccn1 48300906 YKCKMQKTWJTUAV-MRXNPFEDSA-N 357.393 1.307 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 3977921 XOFYZVNMUHMLCC-XRYUJSLGSA-N 358.434 1.766 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2nnc(C)o2)C(C)C)cc1 39210846 XMPXZQQXZZPGNU-HNNXBMFYSA-N 367.427 1.733 0 40 FDAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6376875 DLPNAFXYXJDWHR-LLVKDONJSA-N 354.428 1.785 0 40 FDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 65514459 ANKCYACAZLJSAO-DIFFPNOSSA-N 360.391 1.977 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)cc1OC 14128985 QPFVXNWWFJJOFG-XTZNXHDOSA-N 361.398 1.138 0 40 FDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(C)noc1C 6657763 JBDXBYWTIMKJJB-UHFFFAOYSA-N 370.409 1.746 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1OC 9316553 XDIGUBWJNWJCCC-SFHVURJKSA-N 373.365 1.703 0 40 FDAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)NCc1ccco1 6949547 SZPWGHXNFXCXKF-UHFFFAOYSA-N 358.272 1.320 0 40 FDAB CC(C)(CNC(=O)COc1ccc2ccccc2c1)NS(C)(=O)=O 68199232 MPKKLKBLFXWBDR-UHFFFAOYSA-N 350.440 1.663 0 40 FDAB COc1cccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 16229521 IXIDSYQYUMZZGV-UHFFFAOYSA-N 362.451 1.717 0 40 FDAB O=C(CNc1cc(CO)ccc1Cl)N1CCN(C(=O)C2CC2)CC1 68923449 UNLMVVSTIZKQJP-UHFFFAOYSA-N 351.834 1.325 0 40 FDAB COc1ccnc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1 8775931 IQTYLSWUOYETDN-UHFFFAOYSA-N 357.414 1.397 0 40 FDAB COc1ccc2c(C)c(CC(=O)N3CCc4[nH]cnc4C3)c(=O)oc2c1 8764926 SEELIMOTTIVCEV-UHFFFAOYSA-N 353.378 1.961 0 40 FDAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCSC1=O 9861521 CBYFMKWQTIIGGL-UHFFFAOYSA-N 354.384 1.598 0 40 FDAB O=C(CCc1nc2ccccc2[nH]c1=O)NCCc1ccc2c(c1)OCO2 74605238 RPDDVWDTCAORPN-UHFFFAOYSA-N 365.389 1.943 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 9987497 MPSMHMHQSICGIQ-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB CC(C)(C)c1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 554216379 FRUVPYOEACMZTQ-UHFFFAOYSA-N 362.455 1.394 0 40 FDAB CC1(C)CC(=O)c2cnc3nc(NCCN4CCOCC4)[nH]c(=O)c3c2C1 38829490 ZJIYLGMVZODRCU-UHFFFAOYSA-N 371.441 1.217 0 40 FDAB NC(=O)C[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 558967122 XBNSWELPFLOSIT-INIZCTEOSA-N 374.404 2.550 0 40 FDAB CCOc1cccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 219145142 DVYKDVJZMKSOFM-UHFFFAOYSA-N 369.487 1.062 0 40 FDAB CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 1578215626 OFIKCHYSHRSGCE-XHSDSOJGSA-N 354.458 1.817 0 40 FDAB COc1cccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1OC 224176560 NNZJHFGJXJZNRO-UHFFFAOYSA-N 372.425 1.569 0 40 FDAB CC1(C)C[C@H](NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CCO1 85880042 HIVWDJNHQHSZPX-CYBMUJFWSA-N 371.437 1.795 0 40 FDAB biogenic Cc1cccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 224382619 XDMBSJQZAQNNPC-OAHLLOKOSA-N 369.487 1.008 0 40 FDAB O=C(N[C@@H]1COC2(CCN(C(=O)c3cscn3)CC2)C1)c1ccccn1 96221110 IWHFSJGGACBCDV-ZDUSSCGKSA-N 372.450 1.732 0 40 FDAB CN(C)c1ncc2c(n1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1S(=O)(=O)C2 96251905 WYOUKZNCKJIWKX-LSDHHAIUSA-N 372.450 1.079 0 40 FDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 253601292 OLEICQNTHLOYOO-OAHLLOKOSA-N 369.425 1.665 0 40 FDAB O=C(c1cnccn1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 253615574 DJTVNIFVDUCBBG-CQSZACIVSA-N 353.357 1.916 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257239787 HQTRFWWTSPBDDR-QGZVFWFLSA-N 355.442 1.625 0 40 FDAB C[C@H]1CN(c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)C(=O)O1 257250819 JOCYIPJEFNBGEJ-LBPRGKRZSA-N 353.444 1.641 0 40 FDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(S(=O)(=O)C3CCCC3)C[C@@H]21 257341260 ZJOHACMANCJXBL-VNQPRFMTSA-N 350.488 1.896 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cccnc3)C2)cc1 257212942 CFNCVJCNVXDTMU-HXUWFJFHSA-N 355.438 1.799 0 40 FDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)c3cncnc3)CC[C@@H]2O1 257238240 HKCBXODZAOMXQZ-DKSSEZFCSA-N 354.410 1.960 0 40 FDAB CCCn1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)n1 257302231 SCAOINXOZUZFMG-BGTYHANMSA-N 359.426 1.355 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2cc(C)cn2)C1 257282922 OVWVPZDDNCRWSC-IBGZPJMESA-N 357.458 1.072 0 40 FDAB COc1ccc(CC(=O)N2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)c(F)c1 1615549803 RXPRTUGFGXPNJD-ULQDDVLXSA-N 362.401 1.414 0 40 FDAB O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)c1cnccn1 628676464 KOJAJIRXWWVOFS-INIZCTEOSA-N 362.227 1.889 0 40 FDAB COc1cccc([C@H](C(=O)O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 634692486 BRGANSKPJYNUTG-CZUORRHYSA-N 370.471 1.424 0 40 FDAB Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(=O)n(C)cn3)CC2)c1 635221881 QDOKDFPHEPCJNS-UHFFFAOYSA-N 354.410 1.077 0 40 FDAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3N3CC[C@@H](O)C3)cc2)n1 640870987 BBCRNPSVSXPEDY-QRVBRYPASA-N 354.454 1.898 0 40 FDAB COc1ccc([C@@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)cc1OC 1176945701 KSBYCEUQEMJQCR-KRWDZBQOSA-N 370.409 1.613 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2coc(C3CCC3)n2)[C@@H]1c1nccn1C 671613607 DOTJTKICCOGJNS-SWLSCSKDSA-N 357.414 1.625 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)Cc1c(C)noc1C 675481403 DNNUYNGITGYLNI-IINYFYTJSA-N 362.434 1.795 0 40 FDAB CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)[C@@H]3CCCC3(C)C)CC1)OC2 1775962934 YKRSUUVGQPILQB-HNNXBMFYSA-N 374.485 1.960 0 40 FDAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccno3)CC2)cc1 96376116 PJCQGXAYGKXKIX-UHFFFAOYSA-N 350.396 1.762 0 40 FDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccc(C)cc1 575422220 TXDPSJXKQTYUDE-OLZOCXBDSA-N 371.484 1.193 0 40 FDAB O=C(Cc1ccccc1Cl)N[C@@H]1CCN(c2nccn3cnnc23)C1 575414631 OTGCPMYMCZVTAY-CYBMUJFWSA-N 356.817 1.715 0 40 FDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccc2ncsc2c1 575414388 CINZLZNHSHOQDR-LBPRGKRZSA-N 365.422 1.743 0 40 FDAB Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccccn3)C2)c1 575406890 XDYDELGFCWPSEW-QGZVFWFLSA-N 351.410 1.858 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]21 585108439 LGBLXBJFURFREC-ARFHVFGLSA-N 370.384 1.270 0 40 FDAB Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(C(=O)C3CC(F)C3)C[C@@H]12 585108512 YTFKIZWPGHOUGS-JREQNMATSA-N 361.417 1.798 0 40 FDAB CNc1cnc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)nc1 585278487 UAURAJIRFXEQMG-IBGZPJMESA-N 356.426 1.273 0 40 FDAB O=C(CCc1cncnc1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 585102416 JWNJFKHJUHSCGO-MJGOQNOKSA-N 371.441 1.083 0 40 FDAB Cn1nccc1C(=O)N1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 585108935 GEXSLMPUAYSJPY-MAZHCROVSA-N 355.398 1.073 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(C(=O)c1occc1C)CC2 585098204 RZNFLTNZUATPDE-CYBMUJFWSA-N 360.414 1.307 0 40 FDAB CN(C)S(=O)(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775996246 IQRVMZXTVKJXMT-UHFFFAOYSA-N 367.393 1.998 0 40 FDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 53436200 YFXAESDXUQWUHG-CYBMUJFWSA-N 356.444 1.244 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615156878 KGFPAHBEGREKPY-HXUWFJFHSA-N 357.454 1.507 0 40 FDAB COCCNC(=O)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772595830 NDZQLZRQOXCERL-HBFSDRIKSA-N 374.481 1.857 0 40 FDAB COc1ccc([C@@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)O)OCO4)cc1 5809679 RQIGESLKGRMDPM-ZIFCJYIRSA-N 374.345 1.330 0 40 FDAB O=C(c1cccnc1)N1CC[C@H](c2cc(O)nc(N3CCOCC3)n2)C1 12367154 ZTWMKTCBFVIDSC-AWEZNQCLSA-N 355.398 1.044 0 40 FDAB CCn1cc(CN2CCN(C(=O)[C@H](C)n3cc(Cl)cn3)CC2)c(C)n1 19524563 FSRKJCWAYRDBDK-AWEZNQCLSA-N 364.881 1.967 0 40 FDAB CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1CN(C)CC2 19711589 ONYVRPZAWLDNEC-OAHLLOKOSA-N 361.490 1.985 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccn(C)n2)nc2ccccc12 19716391 AYNMZIGZCFMTEU-SFHVURJKSA-N 363.421 1.986 0 40 FDAB CCn1cncc1C(=O)N1CCC([C@H]2CCCCN2S(C)(=O)=O)CC1 19747095 GHPNLLPBWAXRGZ-OAHLLOKOSA-N 368.503 1.569 0 40 FDAB C[C@H]1C[C@H](C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1 12234943 HOHXLQTXUIYSDO-GJZGRUSLSA-N 362.478 1.027 0 40 FDAB CN(C(=O)COC(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 5079715 FTESZBKEJOWFTK-CYBMUJFWSA-N 362.407 1.037 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1 6546536 IXWZWKOFHUSJAX-UHFFFAOYSA-N 362.451 1.974 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCOCC2)nc1 21590213 YCADMEJRZQTQMS-UHFFFAOYSA-N 369.421 1.734 0 40 FDAB C[C@H](Cc1cc2ccccc2o1)NC(=O)N1CCN(S(C)(=O)=O)C1=O 245039102 OFHLETGRADQKMB-LLVKDONJSA-N 365.411 1.771 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 1614929299 GYESAWHUSMHJKA-CYBMUJFWSA-N 358.485 1.451 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2=O)n1 1565545133 AJBMLHOMDALGFN-OOSNJVJTSA-N 369.465 1.624 0 40 FDAB NC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 4496175 IMMUUFXWLWHFKK-UHFFFAOYSA-N 358.828 1.913 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OC)c3)ccc2c1=O 6732978 QPSKSWJNUNXVKV-UHFFFAOYSA-N 369.377 1.597 0 40 FDAB C[C@H]1CN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)C[C@H](C)O1 9661298 DDUMADGJYDMULI-KBPBESRZSA-N 366.421 1.925 0 40 FDAB O=C(Cc1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 10704965 VDGCMFYTEYIPBA-UHFFFAOYSA-N 358.463 1.733 0 40 FDAB Cn1cc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)cn1 2055713338 BTVLSBUHEFOZJB-UHFFFAOYSA-N 368.441 1.517 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccc(C)s2)CC1 2055747277 SRCWPQNTNMMNQI-UHFFFAOYSA-N 361.471 1.623 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4ncccc34)CC2)[nH]1 2086889709 RRTFKMAUPVYCKM-UHFFFAOYSA-N 350.430 1.304 0 40 FDAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccsc1 206638038 YNVNNXDITHUQLL-UHFFFAOYSA-N 355.423 1.933 0 40 FDAB CCOc1ccc2nc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)sc2c1 36708428 QGZICXQDZXRDLD-UHFFFAOYSA-N 360.395 1.561 0 40 FDAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)n1 585502261 FCPOAXANZCTPJL-UHFFFAOYSA-N 351.410 1.980 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3cn(C)nc3C)[C@@H]2C1=O 101343694 HBSIKVMRKLNXKS-ZFWWWQNUSA-N 374.784 1.683 0 40 FDAB COC(=O)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32820950 DYUUWVLNBVPSBU-INIZCTEOSA-N 355.394 1.889 0 40 FDAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCNc1ncccn1 32913518 FPZZJCMRROKFTC-UHFFFAOYSA-N 367.457 1.844 0 40 FDAB O=C(Cn1nnc(-c2cccs2)n1)c1c[nH]c(C(=O)N2CCCC2)c1 8936130 RSPGUXIMPCMWHS-UHFFFAOYSA-N 356.411 1.849 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2nc(C)cc(C)n2)nc1C 1480256 HJQKAGZFEYEJNH-AWEZNQCLSA-N 356.386 1.388 0 40 FDAB C[C@@]1(NC(=O)c2ccc(Br)cc2F)CCS(=O)(=O)C1 22551534 VRBBEODLKOVKLX-GFCCVEGCSA-N 350.209 1.895 0 40 FDAB Cc1nc2ccc(F)cc2c(=O)n1CCNS(=O)(=O)c1cccs1 79475559 REOUQBDDYIYTCH-UHFFFAOYSA-N 367.427 1.884 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3cc(F)ccc3F)sc21 3329036 PYVHZWSCMNUMGK-UHFFFAOYSA-N 351.334 1.863 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1 61719547 JUODHMCERWOAFR-HNNXBMFYSA-N 353.426 1.940 0 40 FDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3cc(F)ccc3F)cc2N1 42269713 QIVNJCXLGYCWIQ-UHFFFAOYSA-N 368.317 1.414 0 40 FDAB NC(=O)[C@@H](c1ccccc1)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 23249136 KLYARJHFHKAUKD-QZTJIDSGSA-N 352.438 1.057 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccnc1N1CCOCC1 23642328 DOCCHYSLYMGKIP-GJZGRUSLSA-N 361.442 1.865 0 40 FDAB COCCCNC(=O)CSc1nnc(-c2ccncc2)n1CCOC 8103815 KQUANMVFHRWEGU-UHFFFAOYSA-N 365.459 1.231 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)Cn1nc(-c2ccccc2F)ccc1=O 72403546 GNOBWTGUOSFBEH-UHFFFAOYSA-N 369.400 1.716 0 40 FDAB CCN1CCN(C(=O)c2nnc3sc(-c4cccc(F)c4)nn23)CC1 57354680 HGORPNAEPAEIEU-UHFFFAOYSA-N 360.418 1.770 0 40 FDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCN(c2ccccc2F)CC1 12534374 XGAIMUIZXYYAPJ-UHFFFAOYSA-N 372.356 1.584 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc(F)c(F)c1F)N1CCOCC1 25765215 KSCMRPVWMCRAFG-UHFFFAOYSA-N 352.378 1.493 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 26462580 AHUSJMZGCRTPDB-LBPRGKRZSA-N 373.240 1.852 0 40 FDAB CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C)sc3n2)s1 20983410 WBFDDADNYZLMSV-UHFFFAOYSA-N 368.469 1.952 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1cccs1 3276437 RHFHDLGWOLIJOP-GOSISDBHSA-N 355.419 1.758 0 40 FDAB COc1ccc(CCC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 58194205 IWWHHPIQDFXMQS-UHFFFAOYSA-N 366.425 1.643 0 40 FDAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 101322986 GDUQLZHRFTVRBH-STQMWFEESA-N 355.481 1.948 0 40 FDAB CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58202636 OPWKWPZXHSKLLD-UHFFFAOYSA-N 367.471 1.221 0 40 FDAB CCNC(=O)CN(CC)C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 58341682 BOKSMXKQTFZCIL-UHFFFAOYSA-N 364.465 1.566 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)[nH]n1 108531907 DRWWGNAPHOLHHC-AWEZNQCLSA-N 356.430 1.774 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2cccnc2)n1 36367231 BIHAJWCBGBMHRP-UHFFFAOYSA-N 353.338 1.073 0 40 FDAB CCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209700 JUDRONCJQJDEHF-ZDUSSCGKSA-N 354.428 1.210 0 40 FDAB CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1 45857489 LKEWWIFCYIJIIC-OAHLLOKOSA-N 368.455 1.339 0 40 FDAB COCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C 45916905 FLXXYNMKOXFCBX-IBGZPJMESA-N 360.410 1.811 0 40 FDAB CCc1nc(C(=O)NCC2(O)CCOCC2)nn1-c1ccccc1Cl 72304470 QNJPRZVKZACHAS-UHFFFAOYSA-N 364.833 1.754 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(N)=O)CC2)cc1C 12806215 BFLCXHTVFBNJPM-ZDUSSCGKSA-N 368.455 1.121 0 40 FDAB O=C1Cc2cc(S(=O)(=O)NNc3ccc(C(F)(F)F)cn3)ccc2N1 5261820 CCAAHWMMAPMFTL-UHFFFAOYSA-N 372.328 1.900 0 40 FDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 96000482 MHMVAUSHJOOLME-SNVBAGLBSA-N 356.835 1.539 0 40 FDAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nnn[nH]2)c1 6343672 MROKDCBKMFPJOP-UHFFFAOYSA-N 358.383 1.277 0 40 FDAB CCn1c(CSc2ncn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 6365844 MYXHXRMAHCFUAD-UHFFFAOYSA-N 366.472 1.717 0 40 FDAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6760027 HWEGZDOWIQUHRM-CYBMUJFWSA-N 374.466 1.760 0 40 FDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 4897741 ZDDFSESZEUOANP-HNNXBMFYSA-N 370.192 1.908 0 40 FDAB CCOC(=O)N1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 7966947 OJTXVTUFEQDHGS-UHFFFAOYSA-N 374.393 1.781 0 40 FDAB biogenic CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 8279651 IFEIUHBYFUJYCN-BFUOFWGJSA-N 373.409 1.005 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 17121038 MYPUGLHMOOXPPT-HNNXBMFYSA-N 354.428 1.039 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC 8476040 XHCUETGFKBFKNF-UHFFFAOYSA-N 364.379 1.584 0 40 FDAB O=C1CN(C(=O)CN2CCC[C@H](CN3CCOCC3)C2)c2ccccc2N1 69803002 JUVHEKZTXRZCLN-MRXNPFEDSA-N 372.469 1.016 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)NC(=O)Nc1cccc(C)c1C 69921169 FLKVQCLJLLFWBI-UHFFFAOYSA-N 365.430 1.463 0 40 FDAB COC1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 83897754 AGWNMXRFNFZDIB-OAHLLOKOSA-N 358.504 1.056 0 40 FDAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2csc(NC3CC3)n2)CC1 95426900 KQBXONPZBNESMS-UHFFFAOYSA-N 372.516 1.604 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2F)n1 548677355 WIKUXLOLYXOFAJ-RYUDHWBXSA-N 362.384 1.424 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2CCN(C(=O)OCC)CC2)cc1 36075361 VXYMTJHRZBYIQG-UHFFFAOYSA-N 363.414 1.576 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3CCCO3)CCOCC2)o1 1547138774 RSIPNENKRUJNBU-CYBMUJFWSA-N 351.399 1.387 0 40 FDAB biogenic Cc1ccccc1OCCC(=O)N1CCn2c(nnc2[C@@H]2CCCN2)C1 72373952 IPYZDAPDWLKFGA-HNNXBMFYSA-N 355.442 1.822 0 40 FDAB CCOC(=O)C(C(=O)OCC)[C@@H]1C(=O)N(C(C)(C)C)C(=O)N1C(C)(C)C 80443672 FGSQECFKDOBWOM-GFCCVEGCSA-N 370.446 1.959 0 40 FDAB NC(=O)C1CCN(C(=O)COc2nn(-c3ccccc3)cc2Cl)CC1 227151806 CUPKOKYXECUDAI-UHFFFAOYSA-N 362.817 1.628 0 40 FDAB O=C(Cc1ccccc1Br)N[C@@H]1CCc2n[nH]c(=O)cc2C1 225785793 VRJPTLUQADOTLO-GFCCVEGCSA-N 362.227 1.749 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccoc3)CC2)CN1Cc1cccnc1 96159091 PMBZFRYIROPBQI-UHFFFAOYSA-N 355.394 1.708 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)c4cccn4C)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036291 SLXKUPQQWHAJTG-LAUBAEHRSA-N 372.513 1.678 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 583623769 GWTPUJGAZJNRCL-ZXYWRSMDSA-N 374.437 1.865 0 40 FDAB COc1cc(N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)ncn1 247901140 QTPWVRSAEKLHLN-ULQDDVLXSA-N 356.426 1.938 0 40 FDAB COC[C@@H]1CN(C)CC12CCN(C(=O)c1cccc3c1OCCO3)CC2 248147587 SGLLRFJHKOMIJD-HNNXBMFYSA-N 360.454 1.888 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257207341 BHIFXPPJDLTWSL-WMZOPIPTSA-N 372.469 1.469 0 40 FDAB CC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@H]1C(=O)N(C)C 257291442 QGZJWMMEYCADTO-KRWDZBQOSA-N 374.416 1.079 0 40 FDAB CN(C)c1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)cn2nccc12 257334979 YICBPIJEARATST-ZDUSSCGKSA-N 351.414 1.605 0 40 FDAB CNc1cc([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)ccn1 257225589 FGXHTQFRPGMTCG-CYBMUJFWSA-N 359.430 1.160 0 40 FDAB Cc1cnn([C@@H]2CCCN(C(=O)CCn3cnc4c(N)ncnc43)C2)c1 668357271 HLYLEEVXQWMZJI-CYBMUJFWSA-N 354.418 1.167 0 40 FDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(C(=O)c1c[nH]c3ccccc13)C2 575405532 IWFIQCRHXSGZKG-AWEZNQCLSA-N 371.437 1.646 0 40 FDAB Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2ccccn2)n1 585094991 YOCHGLJMQVCTLB-INIZCTEOSA-N 350.426 1.919 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)c4ncn(C)n4)C3)C2=O)n1 585100993 RBAMEEWROLMGJL-LJQANCHMSA-N 368.441 1.173 0 40 FDAB CNc1cc(C(=O)N2CC[C@@](COc3ccc(F)cc3)(OC)C2)ccn1 585276080 JGWZFIWTDNGZQX-LJQANCHMSA-N 359.401 2.573 0 40 FDAB CC(=O)N[C@H](CC(=O)NCCc1nc(N)no1)c1ccc(Cl)cc1 72298232 CRLHDGOEHXYTBZ-GFCCVEGCSA-N 351.794 1.231 0 40 FDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cc(C2CC2)ncn1 585361198 XSCOXUXHQONANZ-ZDUSSCGKSA-N 357.439 1.572 0 40 FDAB CC(C)CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 5727135 DIANMAWPBXSSGW-UHFFFAOYSA-N 363.277 1.987 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)c3ccnn3C)nc12 12146419 ADIXRUMROVWCPW-CYBMUJFWSA-N 364.409 1.510 0 40 FDAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NCc1cccs1 19343724 OHJPMXNDKBVGRD-UHFFFAOYSA-N 373.482 1.106 0 40 FDAB COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19460675 GPQUNEGWTVMHMT-YGTYGHESSA-N 354.362 1.661 0 40 FDAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 19499102 JRMDHWOVFJKNGC-OAHLLOKOSA-N 358.442 1.528 0 40 FDAB Cc1cc(=O)n(CCC(=O)NCCC(=O)N2CCOCC2)c2ccccc12 19566552 DYJSZJMCRDDCDC-UHFFFAOYSA-N 371.437 1.065 0 40 FDAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O 8769396 WXFNLZHOHXOZKQ-UHFFFAOYSA-N 371.846 1.435 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnn2ccccc12 656857753 REASURBUORUWHP-DYVFJYSZSA-N 352.398 1.300 0 40 FDAB COC[C@@H](C)n1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2725854 IUIPQRBJSFQQAX-ZJUUUORDSA-N 364.427 1.279 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)N(C)C)c1 6949388 OYGQNZSBCYBWDD-AWEZNQCLSA-N 351.428 1.220 0 40 FDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)n1 1888843247 OTSRBQPTSVXQHP-GHMZBOCLSA-N 366.347 1.437 0 40 FDAB Cc1nc2ncnn2c(N2CC[C@H](COc3cc4c(nn3)CCC4)C2)c1C 1888903737 JYOWKSKSLXWEHO-AWEZNQCLSA-N 365.441 1.925 0 40 FDAB c1nc(N2CCN(c3nncs3)CC2)c2ncn(C[C@H]3CCCO3)c2n1 1888903883 NNPNBXMVBQJQKA-GFCCVEGCSA-N 372.458 1.183 0 40 FDAB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)c1c[nH]c2ccccc12 14231104 WRMBZXKHJBYIIB-NHYWBVRUSA-N 364.423 1.706 0 40 FDAB CCc1cnc(N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)nc1 2087043858 TZNNIXPPMNZLNK-GASCZTMLSA-N 364.457 1.771 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3ccccc3n2)c1 4499757 IXIGKPZIYJPOPI-UHFFFAOYSA-N 369.406 1.779 0 40 FDAB COc1ccc(CCNC(=O)NCc2nnnn2-c2ccccc2)cc1 9615760 RIJZXJQPVHCUAM-UHFFFAOYSA-N 352.398 1.713 0 40 FDAB COc1cc(OC)cc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1 10250788 KKZIQSRCPNWNPP-UHFFFAOYSA-N 371.397 1.749 0 40 FDAB CCN1CCCc2cc(CCNC(=O)C(=O)NC[C@H]3CCCO3)ccc21 22732740 PMYAGJUKXBPKCW-QGZVFWFLSA-N 359.470 1.413 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1nc2c(cc1=O)CCC2 575619723 KSYQAJURBYLDCO-GFCCVEGCSA-N 371.393 1.044 0 40 FDAB Cc1nnc2ccc(N3CC(Cn4nc(-c5cccnc5)ccc4=O)C3)nn12 585605190 VEZKBWVEMQIOBT-UHFFFAOYSA-N 374.408 1.188 0 40 FDAB CCOC(=O)CCC(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O 211074550 HNXQTVCKTYPNDZ-UHFFFAOYSA-N 362.386 1.099 0 40 FDAB CCN1CCN(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)C(=O)C1=O 585147995 LSPYRZXAGQVGHR-HNNXBMFYSA-N 371.393 1.380 0 40 FDAB Cc1csc(=O)n1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40110940 LFYDBKBHAKSYME-KRWDZBQOSA-N 374.422 1.302 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)c1 31183795 MBMJXAQNRXVYBA-MRXNPFEDSA-N 369.421 1.757 0 40 FDAB C[C@@H](NC(=O)C[S@](=O)Cc1nnnn1-c1ccccc1)c1ccccc1 32801486 LUKPVPHXYVQPRW-PTFIGZPYSA-N 369.450 1.788 0 40 FDAB Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(F)cc1F 32977294 MNJVUYCXFFWGTD-LBPRGKRZSA-N 369.393 1.718 0 40 FDAB O=C(CSc1nncs1)NC[C@H]1CN(Cc2ccccc2)CCO1 22239242 HMJHOVGEBSJDBM-AWEZNQCLSA-N 364.496 1.647 0 40 FDAB CCn1cnnc1CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 47021204 FVFTWGHITFCMJL-UHFFFAOYSA-N 359.474 1.637 0 40 FDAB COCCCN1C(=O)N=C(O)/C(=C2\C[C@@H](c3ccc(OC)cc3)NN2)C1=O 8995508 MRWVNXLRVXIBFA-YCPJBFQXSA-N 374.397 1.444 0 40 FDAB Nc1cc(N)nc(SCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)n1 7735282 SYZUVVYVLWRRAV-UHFFFAOYSA-N 355.423 1.451 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 54321703 TVLIHRTWEPDUQA-CYBMUJFWSA-N 365.861 1.530 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 8546683 SVOBMHWAPJOSRH-SFHVURJKSA-N 359.357 1.844 0 40 FDAB C[C@H](CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)Oc1ccccc1Cl 97045747 XSRUUCGIIWGRDY-ZYHUDNBSSA-N 374.846 1.462 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccncc1 25445295 SVJRIJXOLLNVGC-UHFFFAOYSA-N 351.453 1.858 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCCNC(=O)C3CC3)C2)nc1 57202260 OVGNENRZVPAIMD-INIZCTEOSA-N 372.469 1.874 0 40 FDAB CCOC(=O)CN1C(=N)N(c2nc(C)cc(Oc3ccccc3)n2)CC1=O 27644465 COPBAPGZDQENIG-UHFFFAOYSA-N 369.381 1.724 0 40 FDAB Cn1c(=O)c2c(ncn2C[C@](C)(O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 57987002 PHIAYZMRMVGJDO-MMVGZCIASA-N 372.469 1.401 0 40 FDAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(OC)cc3)c(C)nn12 12652990 ZQBZRKLZGVMBAY-UHFFFAOYSA-N 370.365 1.610 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 10141690 PIMRRGTVZRPYED-UHFFFAOYSA-N 362.214 1.550 0 40 FDAB O=C(Cn1cc(-c2nnco2)ccc1=O)NCC1(c2ccccc2)CC1 58167198 UAYVYKPSJXYGDR-UHFFFAOYSA-N 350.378 1.746 0 40 FDAB NC(=O)COc1coc(CN2CCC(Cc3ccccc3)CC2)cc1=O 36365931 QQCAJAFJDHZMFN-UHFFFAOYSA-N 356.422 1.959 0 40 FDAB CCOc1c(Br)cc(C(=O)N[C@H]2CCCNC2=O)cc1OC 60211865 RDUUTRYRQRFYFL-NSHDSACASA-N 371.231 1.865 0 40 FDAB COc1cc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1C 10409133 MUCFRTZLSVPOLU-UHFFFAOYSA-N 362.451 1.552 0 40 FDAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 10009076 GUTRWMXBNOSBIM-SFHVURJKSA-N 374.462 1.963 0 40 FDAB COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)c1OC 20139795 SLIREPWZVRNILY-INIZCTEOSA-N 374.489 1.782 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)N2CCn3c2nc2ccccc23)c1 29377108 AILSAOMRGAIZPS-UHFFFAOYSA-N 356.407 1.605 0 40 FDAB CC(=O)NCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46143925 VOUQUQVKUMMKOG-CQSZACIVSA-N 372.252 1.850 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1ccc(C2SCCCS2)cc1 29681533 KEOQXQDDQQFNFO-UHFFFAOYSA-N 360.526 1.834 0 40 FDAB CC(C)OCCCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 12020472 PLWGFKHYXLRRPE-UHFFFAOYSA-N 354.428 1.298 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccccc1F 3486553 IKXXQHWTRVJBMH-UHFFFAOYSA-N 352.343 1.547 0 40 FDAB C[C@H](OC(=O)c1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3554945 QVWPFBWHKXHDCR-QMMMGPOBSA-N 370.283 1.997 0 40 FDAB CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccccn2)cc1 409111471 CXLKSEMWDOIAEM-UHFFFAOYSA-N 350.396 1.502 0 40 FDAB COc1ccc(Oc2ncccc2NC(=O)NCc2n[nH]c(=O)[nH]2)cc1 72311294 HPGXRWHKNCZADV-UHFFFAOYSA-N 356.342 1.616 0 40 FDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 13058994 XEBNPRBEYFOXID-UHFFFAOYSA-N 367.471 1.572 0 40 FDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)N1CCO[C@H](c2ccccc2)C1 71286144 NFGLYNHJRQOVJK-HNNXBMFYSA-N 357.410 1.656 0 40 FDAB Cc1ccc(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 9155133 GOBPZEIPHYWYGW-GFCCVEGCSA-N 350.396 1.066 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2ccsc2n1 6098395 DMNMDWSPSLIAGE-UHFFFAOYSA-N 361.354 1.368 0 40 FDAB COc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc(OC)c1 14159568 GWBMHPQNTBNPOA-UHFFFAOYSA-N 369.377 1.736 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 5630034 DKWYYQJTSVLVEK-VUHVRTRXSA-N 370.789 1.758 0 40 FDAB Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(C)c(=O)c2c1C 6886598 QCHLFHKKBLZBHA-LLVKDONJSA-N 367.496 1.999 0 40 FDAB O=C(COC(=O)c1cccc(Cl)c1Cl)N[C@H]1CCS(=O)(=O)C1 7058595 QBZUFMVBQVPDJQ-QMMMGPOBSA-N 366.222 1.454 0 40 FDAB CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1C 7423623 SWOWOJZHJGWSNB-UHFFFAOYSA-N 358.416 1.843 0 40 FDAB CC(C)C(=O)NC1CCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 95351288 HXFMUVNYGMYLPD-UHFFFAOYSA-N 353.463 1.618 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O 7990605 MRQAKJZGXZMBBY-OAHLLOKOSA-N 370.453 1.721 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccn2)C1=O 8025465 FZCPIKHCIKJPNG-LJQANCHMSA-N 352.394 1.555 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1C 409369718 FFLQGJNJJDPUOY-AWEZNQCLSA-N 354.472 1.929 0 40 FDAB O=C(COCC(=O)Nc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 9668368 UXMNIWWMNOQSKW-UHFFFAOYSA-N 360.341 1.826 0 40 FDAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 17637330 UGFZVQQKFUSLBO-CYBMUJFWSA-N 354.428 1.951 0 40 FDAB O=C1COc2cc(C(=O)OCc3nnnn3-c3ccccc3)ccc2N1 17982401 AUPYPELWMUKLAL-UHFFFAOYSA-N 351.322 1.350 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C[C@@H](O)COCc2cccs2)CC1 24587874 CKLNYXKCUWSVMZ-OAHLLOKOSA-N 369.531 1.158 0 40 FDAB CCN(CC)CC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 306132702 LPNOTOXNNKHRRR-OAHLLOKOSA-N 366.491 1.094 0 40 FDAB CN1CCN(c2cc(OCCNC(=O)NCc3ccccc3)ncn2)CC1 35598394 FPUHZXOLZLZVKT-UHFFFAOYSA-N 370.457 1.107 0 40 FDAB CNC(=O)c1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1321429 CRUFCNLKSJHLRX-UHFFFAOYSA-N 363.373 1.875 0 40 FDAB biogenic O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccnc1 70640179 RJUJYDUTXRMTHR-ZDUSSCGKSA-N 353.300 1.889 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@@H]1[C@@H]1Nc2ccccc2S(=O)(=O)N1 72342516 QUSABLDLQRTYMY-CRAIPNDOSA-N 372.450 1.345 0 40 FDAB Cc1cc2c(o1)c1cnn(CC(=O)N3CCN(C(C)C)CC3)c(=O)c1n2C 72335329 JJCUBFFMHQWQQI-UHFFFAOYSA-N 371.441 1.342 0 40 FDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1 72394722 ZKDGKJDMLMKKAY-MOPGFXCFSA-N 353.466 1.908 0 40 FDAB COc1ccc(C(N)=O)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 44700407 ACYRNDHITHZZRY-UHFFFAOYSA-N 371.393 1.878 0 40 FDAB COc1cc(CN(C)C(=O)CCN2C(=O)CCC2=O)cc(OC)c1OC 225873370 KKOARSPAYCSPQI-UHFFFAOYSA-N 364.398 1.210 0 40 FDAB CN1CCN(c2cc(NC(=O)Nc3ccc4c(c3)OCCO4)ncn2)CC1 75166234 STMJZGOAMXKTIQ-UHFFFAOYSA-N 370.413 1.644 0 40 FDAB CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2ccsc2)CC3)CC1 569751021 WQKKNRCOBKQIOP-OAHLLOKOSA-N 373.526 1.684 0 40 FDAB CCCCCCN(CCO)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40138947 RLFZKPOZSVNUFI-UHFFFAOYSA-N 371.503 1.461 0 40 FDAB CSc1ncc(C(=O)N2CCCC2)c(N2CCC[C@@H](C(=O)O)C2)n1 225011022 MKYGXDPKMQQTBS-LLVKDONJSA-N 350.444 1.736 0 40 FDAB Cc1nsc(N2CCN(C(=O)c3ccc(-n4ccnn4)cc3)CC2)n1 89833974 GDTAIGOIIMIPCZ-UHFFFAOYSA-N 355.427 1.390 0 40 FDAB COc1ccccc1CN1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1 96219589 SPTOOCTWBTUNQB-NVXWUHKLSA-N 354.472 1.368 0 40 FDAB Cn1cc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CO3)cn1 96049207 DBSJNILNVRGGJP-UHFFFAOYSA-N 355.442 1.209 0 40 FDAB CN(C)CCN(CC(=O)O)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 583650671 XGHGGYQZIRUPIB-MRXNPFEDSA-N 350.415 1.333 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3cccs3)C2)CN1c1cccnc1 96240157 GUVPYKHXIDERBE-GOSISDBHSA-N 359.451 1.778 0 40 FDAB CCCn1nccc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257278274 OBOAOWLFCADWPA-CQSZACIVSA-N 363.487 1.964 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(Cc2cccnc2)C3)n1 253477285 DYPIPQXZLDWGHY-INIZCTEOSA-N 374.466 1.248 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)ncn1 257223604 DYCANSYDQCOCQW-GOSISDBHSA-N 357.458 1.620 0 40 FDAB CN(C)[C@H]1[C@H](NC(=O)c2cncs2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257226126 FJFYKMHVYZXJHX-VDERGJSUSA-N 365.430 1.523 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)CC2(O)CCCCC2)C1 257284634 PDOVGLSJCYYMKS-LBPRGKRZSA-N 355.460 1.214 0 40 FDAB COCCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2C 257206769 BEVOUGNTXOYMJM-GUDVDZBRSA-N 362.470 1.604 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)CCN(C)C2=O)n1cnc2c(N)ncnc21 618089102 FIMFSPKJYJCJJZ-SNVBAGLBSA-N 365.397 1.236 0 40 FDAB C[C@H]1CN(c2nc(=N)[nH]c(=N)[nH]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 624240595 NRDCZSMMKXTENX-KWQFWETISA-N 354.336 1.682 0 40 FDAB CC[C@@]1(CNC(=O)NCc2nnnn2C2CC2)OCCc2ccccc21 633965868 MRKINRZIUWAWDJ-SFHVURJKSA-N 356.430 1.685 0 40 FDAB C[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)c2cnccc2NC1=O 1615592723 ZTCSQMIRNKHJSJ-LLVKDONJSA-N 353.382 1.895 0 40 FDAB C=CC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1262555774 IESWEKVTSQWWHA-UHFFFAOYSA-N 361.446 1.921 0 40 FDAB CCCC[C@H](COC)NC(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 605983478 IXAIZCFZRBULMM-ARFHVFGLSA-N 357.495 1.764 0 40 FDAB CCN1CCO[C@@H](CN[C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1nccn1C 1775959725 SLDJVMHDRJYNTL-FHLIZLRMSA-N 358.490 1.675 0 40 FDAB COc1ccc(OC)c(-c2cc(C(=O)N3CCN(CCF)CC3)n[nH]2)c1 390832336 YSYJYONPTMLFOM-UHFFFAOYSA-N 362.405 1.821 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1C 575423136 OMBKKDPOPGXYOH-AWEZNQCLSA-N 360.501 1.266 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(F)cc4)CC3)[C@H]2C1 585106184 WFPBXZXIPFCDSX-SJORKVTESA-N 359.445 1.888 0 40 FDAB CN1Cc2ccccc2[C@@H](NC(=O)c2cnc(C3CCNCC3)[nH]2)C1=O 685941934 JNNIOMCDJSSLTJ-MRXNPFEDSA-N 353.426 1.320 0 40 FDAB CSC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 75157281 ZURFDOMAFDBOSD-MRXNPFEDSA-N 372.512 1.315 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(NC2CC2)nc1 84425489 HNVRZUHQTURBOZ-JKSUJKDBSA-N 359.426 1.983 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099607 RCVLABGKOOFMNS-GASCZTMLSA-N 356.378 1.753 0 40 FDAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)NC1CC1 5634455 NHYCZIATXKVMFF-UHFFFAOYSA-N 355.485 1.627 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)[C@H]2CC(=O)N(C)C2)cc1 12145678 KRMQCYWPFFQHTO-SUMWQHHRSA-N 368.437 1.853 0 40 FDAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H]1CCN1C1CCCCC1 12338309 OATRTJONHNYRRW-INIZCTEOSA-N 354.458 1.932 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)CCc1ccc(OC)c(Cl)c1 643943609 GBIPTPMYULLEMN-KRWDZBQOSA-N 354.834 1.774 0 40 FDAB CCOC(=O)C1=C(COc2ccc3ccc(=O)oc3c2)NC(=O)N[C@@H]1C 5230710 IUGDRCZPDBCJKF-SNVBAGLBSA-N 358.350 1.690 0 40 FDAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCNC1=O 7089198 ITHNDUJNPFTTOW-NSHDSACASA-N 362.367 1.226 0 40 FDAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C[C@H]1CCCO1 17180283 RUJLPDSNCLQIPC-CQSZACIVSA-N 369.425 1.610 0 40 FDAB Cc1csc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c1 1888879143 VPDIIXHVQVGIKR-BETUJISGSA-N 368.466 1.942 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3csc(C)n3)CC2)OC[C@]1(C)O 2037849771 HKKJYPNIRGOSDP-IRXDYDNUSA-N 367.515 1.804 0 40 FDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cnc2ccccc2c1 2037971219 ADGGNFQOMTWGAC-LNRXMEIDSA-N 364.445 1.744 0 40 FDAB COc1cccc(-c2nn(CN3CCC(C(N)=O)CC3)c(=S)n2C)c1 4177018 YURBCHPJNXEVOF-UHFFFAOYSA-N 361.471 1.781 0 40 FDAB O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 9616526 PMKZABWGPHRMDT-UHFFFAOYSA-N 356.317 1.852 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cc(-c2ccc(F)cc2)c[nH]1 575621061 XODDJBUETRCMAB-UHFFFAOYSA-N 373.384 1.716 0 40 FDAB COC[C@](O)(CNS(=O)(=O)c1ccc(OC)cc1C)c1ccccc1 575608808 ZDERRLGWBVNWBY-GOSISDBHSA-N 365.451 1.816 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 101491982 ZXRBJDQTCOAOGP-UHFFFAOYSA-N 354.370 1.256 0 40 FDAB C[C@H]1C[C@@H](Sc2nc(C3CC3)nc3c2c(=O)nc(O)n3C2CC2)C(=O)O1 40040145 AWTKAAINXIXNJB-OIBJUYFYSA-N 374.422 1.901 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 100702294 VSVBJGOGDBZTSQ-KFWWJZLASA-N 361.394 1.468 0 40 FDAB CC(=O)N1CCN(CCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 32925416 CKAGVOPNEYXYCC-AWNIVKPZSA-N 371.890 1.394 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(F)c1 3550236 PEJONLYBGMGRDR-LJQANCHMSA-N 369.352 1.994 0 40 FDAB C[C@H](CNC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 22914429 WGRLJDYRWRDKFQ-SJORKVTESA-N 372.513 1.191 0 40 FDAB CCC1=NN(C(=O)C(=O)Nc2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1 4568631 WPNBEFVLUHAOOQ-CQSZACIVSA-N 359.304 1.883 0 40 FDAB Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)sc2n(C)c1=O 12422736 AIGCUGQPGWZWRK-UHFFFAOYSA-N 373.390 1.322 0 40 FDAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)no1 6668734 IVQHONNNOIDACA-UHFFFAOYSA-N 371.440 1.626 0 40 FDAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cn(C)nc2C)n2ncnc2N1 6921551 MOMQBBNCDYRXST-QGZVFWFLSA-N 363.425 1.925 0 40 FDAB C[C@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)csc2C1 102207256 RERZAKSBNXNJPN-RBNBNYHSSA-N 360.435 1.680 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)NC1CCCCCC1 9482601 QEPRPHRXTDOYQZ-ZDUSSCGKSA-N 354.476 1.682 0 40 FDAB O=C(NCC(=O)N1CCCc2ccccc21)[C@H]1COc2ccccc2O1 57268753 NKBBANBBGMGGBM-GOSISDBHSA-N 352.390 1.922 0 40 FDAB O=C(CCOCc1ccccc1)NC[C@]1(N2CCOCC2)CCSC1 57210853 AOYAVKYPNXULQQ-LJQANCHMSA-N 364.511 1.917 0 40 FDAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccco4)sc3nc2=O)cc1 26779458 PHGNFBWNHHIHSF-XNTDXEJSSA-N 351.387 1.551 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420223 VLEIQZZQYNRKKM-MOROJQBDSA-N 364.829 1.927 0 40 FDAB Cc1ccc(N2C(=O)CN(Cc3cccnc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 54278104 LFDLREPNMXXUTB-ZWKOTPCHSA-N 371.462 1.404 0 40 FDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 58180121 DKNMZOZLEDEMSZ-XEZPLFJOSA-N 351.472 1.121 0 40 FDAB CC(=O)N(C)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 58184130 VOFNRACRAVJVRO-UHFFFAOYSA-N 365.393 1.803 0 40 FDAB CC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965002 PHRDWEKBYXEYQK-CYBMUJFWSA-N 370.471 1.919 0 40 FDAB COc1ccc(C2=CCN(C(=O)c3ccc(S(N)(=O)=O)o3)CC2)cc1 58367792 LKACPGXZAFLXGC-UHFFFAOYSA-N 362.407 1.865 0 40 FDAB O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 36395906 HIMBKKTYTNJJOX-ZDUSSCGKSA-N 365.411 1.634 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N2CCCC2)n1 67256886 NLAWOWXSPFUDFY-UHFFFAOYSA-N 360.389 1.768 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(OC)cc1OC 11133824 LQFVRYUPPUIIJT-UHFFFAOYSA-N 353.371 1.320 0 40 FDAB O=c1n(CN2CCN(Cc3ccc(Cl)s3)CC2)nc2ccccn12 28706295 PRCMMUWNQBLKSO-UHFFFAOYSA-N 363.874 1.986 0 40 FDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)cn1 306135474 ORZGMNYDINGWHQ-OAHLLOKOSA-N 368.428 1.563 0 40 FDAB Cc1c(NC(=O)[C@@H](C)NC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3414671 HUCRMEGWVILSTP-CJNGLKHVSA-N 358.442 1.580 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCOCc1ccccc1 12972929 ZRUDHNBNIMXDLS-UHFFFAOYSA-N 367.405 1.413 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)CC2CCCC2)CC1 12908038 TUOIMWIDQORPKN-ZDUSSCGKSA-N 361.494 1.305 0 40 FDAB C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 3977924 OIGNJSKKLXVSLS-UUHAENJBSA-N 360.450 1.558 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c3ccccc23)cc1 13692445 HWRFIBGGZNOYGY-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB COCCCS(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO 96006757 VHHHLJNUGVJXKK-KRWDZBQOSA-N 356.488 1.099 0 40 FDAB CCNC(=O)CCCC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 96013325 SGBZVUWBSNQFBG-CYBMUJFWSA-N 358.435 1.472 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218857 PLOXKBRFYGSPNZ-QGHHPUGFSA-N 353.369 1.893 0 40 FDAB O=C(Cn1nnc2ccccc21)NCc1ccccc1CN1CCOCC1 14120993 QKPABQBWPKOJLW-UHFFFAOYSA-N 365.437 1.580 0 40 FDAB CCn1nnc2cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc21 14240198 NEYVTMYVJMYCRK-UHFFFAOYSA-N 356.386 1.351 0 40 FDAB O=C(c1cscn1)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1 306132746 LQWHJOSEBVUZDD-OAHLLOKOSA-N 362.455 1.980 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)n(C)c1 9389966 VRGIIBYIRCENID-UHFFFAOYSA-N 350.400 1.144 0 40 FDAB COc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 7396542 XXNOVGVTRUFSIE-NSHDSACASA-N 373.361 1.991 0 40 FDAB O=C1c2ccccc2C(=O)N1CCc1nnn(CCOc2ccccc2)n1 7424155 QCKWLSMCOZJGHI-UHFFFAOYSA-N 363.377 1.591 0 40 FDAB O=C(CSc1nnnn1C1CC1)NC1CCN(Cc2ccccc2)CC1 8071892 KQWDLHFPWSSFCY-UHFFFAOYSA-N 372.498 1.881 0 40 FDAB O=C(NCc1ccco1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022673 YBGMPHXNYFUSQG-UHFFFAOYSA-N 352.398 1.788 0 40 FDAB CCc1nnc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)s1 8851013 RTAGNXFLGZFLML-UHFFFAOYSA-N 354.457 1.445 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC[C@H]1CCC[C@@H](O)C1 72295725 HIXUYSQGSXIZQZ-GXTWGEPZSA-N 358.435 1.161 0 40 FDAB C[C@@H](OC(=O)CN1CCS(=O)(=O)CC1)c1nc2ccccc2s1 95953887 AHETYSOGAXWURX-LLVKDONJSA-N 354.453 1.631 0 40 FDAB Cc1cc(O)cc(=O)n1[C@H](C)C(=O)NCc1ccc2c(c1)OCCCO2 75108938 WUXQDSJJOFUCFH-CYBMUJFWSA-N 358.394 1.901 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@H](CC(=O)NCc3cccnc3)C2)cn1 306123284 AJCAEBITVZBWDQ-GOSISDBHSA-N 365.441 1.275 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 548024459 DSQRLGMZHPUXMQ-ZFWWWQNUSA-N 371.441 1.265 0 40 FDAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(C(=O)C2CC2)CC1 25348531 ZXZZMWPTKDPFKN-GOSISDBHSA-N 358.438 1.939 0 40 FDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(C)CC1)cn2CC(=O)O 36357345 WOLWVJSTEXLZDJ-QGZVFWFLSA-N 361.398 1.108 0 40 FDAB O=C(O)CNC(=O)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 32095291 OWSBPLUVESKZAV-UHFFFAOYSA-N 365.389 1.625 0 40 FDAB O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(F)cc1 62006714 UPNWUAGAIBNSID-UHFFFAOYSA-N 355.304 1.961 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCOCC3)cc(C)c21 71195933 AXZHMIHYXYYHGA-UHFFFAOYSA-N 352.456 1.660 0 40 FDAB COc1cc2nc(N3CCN(c4ncc[nH]4)CC3)nc(N)c2cc1OC 567596105 XRNMLBGNAJKJLU-UHFFFAOYSA-N 355.402 1.279 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1ccncc1 72401846 ZDAGOSPXOPRJMC-UHFFFAOYSA-N 353.426 1.230 0 40 FDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)O1 527543331 NCAKFWOFRUIYIE-IAQYHMDHSA-N 358.377 1.907 0 40 FDAB O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc2nnc(O)n2c1 534987795 ITFCSTBTPMPTCU-UHFFFAOYSA-N 365.393 1.487 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472319 YBMRNPZQBDXJTJ-ZIAGYGMSSA-N 355.442 1.516 0 40 FDAB CCOCC(=O)N1CC[C@H](OC)[C@H]2CN(Cc3csc(C)n3)C[C@H]21 96220054 AHRXDWDZXVKSFK-XHSDSOJGSA-N 353.488 1.536 0 40 FDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)c1cccn1C)CC2 96059552 PYBOOSLYSPPEEH-UHFFFAOYSA-N 364.453 1.905 0 40 FDAB Cc1nnc(N2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)s1 248037874 RSYZRHLSCYAZRM-GFCCVEGCSA-N 354.501 1.550 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3c[nH]cn3)CC2)C[C@H](O)C1(C)C 257278164 OBCUDSIZHZZHLM-HNNXBMFYSA-N 350.463 1.010 0 40 FDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)C[C@@H]2C[C@@]1(C)O 257306794 SVXWAFZEQKKCLK-KNIMUDFMSA-N 350.434 1.724 0 40 FDAB Cn1nccc1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257310848 UGXDASFUZMEJDB-YJBOKZPZSA-N 370.453 1.524 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCC(F)(F)F)[C@@H]1c1ccccc1OC 257240751 HVANDRNGLSWFPZ-DOMZBBRYSA-N 374.359 1.910 0 40 FDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@](C)(C(N)=O)C1 257226568 FLEYYQFXPZOBNM-KRWDZBQOSA-N 363.414 1.974 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2nccn2-c2ccccc2)CC1 278668292 POMGNDSIPFCPTN-UHFFFAOYSA-N 362.455 1.160 0 40 FDAB CCn1cc(CC(=O)N2CCC[C@](O)(CC(=O)NC)C2)c2ccccc21 644037839 VCJOWIRPLVCBNG-FQEVSTJZSA-N 357.454 1.693 0 40 FDAB CCOC(=O)c1c(NC(=O)CN(C2CC2)C2CC2)sc(C(N)=O)c1C 599597853 AOYSFRRYYZEMEX-UHFFFAOYSA-N 365.455 1.897 0 40 FDAB O=c1c2cnn(CCOc3ccccc3)c2ncn1C[C@@]1(O)CCCOC1 656699365 JZVXAXMCQQEXAG-IBGZPJMESA-N 370.409 1.214 0 40 FDAB Cc1cccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1F 670416199 YBGJWVZAUMDMKF-LBPRGKRZSA-N 358.373 1.940 0 40 FDAB CC(C)n1cc(S(=O)(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)cn1 681568070 RXULIVSXUJGNAU-CYBMUJFWSA-N 359.354 1.846 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1 96123407 OVKBRLCGUVOEDD-UHFFFAOYSA-N 371.440 1.884 0 40 FDAB Cc1cnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)cn1 585097214 IUPPDVIOWPCWFE-AWEZNQCLSA-N 354.414 1.019 0 40 FDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)Cc2ccccc21 599506074 XZJHXJRMFLPFIN-INIZCTEOSA-N 352.456 1.736 0 40 FDAB NC(=O)[C@@H]1CN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCO1 51131610 PDFAIXDRACJDKS-IRXDYDNUSA-N 357.385 1.692 0 40 FDAB CC(=O)NC(C(=O)N[C@H](CSCc1ccccc1)C(=O)O)=C(C)C 5601283 KJFCXOHNGMNKNU-CQSZACIVSA-N 350.440 1.919 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268087 KADDUEPKNXCZDI-OAHLLOKOSA-N 355.398 1.524 0 40 FDAB Cn1c(=O)c2[nH]c(CCCCCc3nc4ccccc4[nH]3)nc2n(C)c1=O 13284731 MXVCQGMEKNUZSR-UHFFFAOYSA-N 366.425 1.792 0 40 FDAB CCCCN1C(=O)[C@@]2(N=C(N)NC(N3CCCCC3)=N2)c2ccccc21 19330867 MWHRSYVXPYLSMF-LJQANCHMSA-N 354.458 1.746 0 40 FDAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19448309 LMQDHWAVMPLVNN-KRWDZBQOSA-N 367.453 1.909 0 40 FDAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 19589859 HBXFRLUSVHAXBY-HNNXBMFYSA-N 350.854 1.310 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC(C)C)C1)C2=O 19699904 BORBRMSTFBZEDD-OAHLLOKOSA-N 364.490 1.430 0 40 FDAB Cc1nc([C@H]2CCN(C(=O)CN(C)C)C2)ncc1C(=O)Nc1ccccc1 19766055 NVYDQSBUVCMBRT-HNNXBMFYSA-N 367.453 1.915 0 40 FDAB CCn1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c(-c2cnn(C)c2)n1 606442667 LVXBMOLOBRMAJH-SFHVURJKSA-N 359.430 1.325 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccc(Cl)cc1F 643551157 LDBXBSHCZBJIDI-LMOWEUBUSA-N 357.809 1.709 0 40 FDAB COC1CCN(C2CN(S(=O)(=O)c3cccc(C(C)=O)c3)C2)CC1 575605560 KYLSZNZMGILINH-UHFFFAOYSA-N 352.456 1.373 0 40 FDAB CCc1nc(N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)nc(O)c1F 1888855798 KXUNLLYRBZPGDK-STQMWFEESA-N 358.421 1.863 0 40 FDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)C1 572757823 WPUNPRLUUJWZLE-CYBMUJFWSA-N 362.398 1.795 0 40 FDAB Cc1cccc(CN2CCC3(CCN(C(=O)c4ncn(C)n4)CC3)C2=O)c1 1565551762 ROQCDGMPSWCPSP-UHFFFAOYSA-N 367.453 1.778 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)O)O2 3881686 VKNLNUXZCWSEOI-QQOBTVJVSA-N 370.486 1.947 0 40 FDAB biogenic CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccccc2C)n(C)c1=O 8706211 JINZMMMPWCXGBO-UHFFFAOYSA-N 366.425 1.621 0 40 FDAB COc1ccccc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729853 UPYCTWYRJDFFKE-CYBMUJFWSA-N 365.455 1.380 0 40 FDAB CC(C)NC(=O)c1noc2c1C[C@@H](NS(=O)(=O)c1ccccc1)CC2 2055745738 XHIASENGXKLENO-LBPRGKRZSA-N 363.439 1.649 0 40 FDAB CC(C)CN1CC2(CCN(c3ncccn3)CC2)[C@@]2(CCN(C)C2=O)C1 2055795857 JVXTYADCRFSOIX-FQEVSTJZSA-N 357.502 1.883 0 40 FDAB COc1ccc(C(=O)N2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)c(OC)c1 2055839533 GPCPZQQWMHRKAQ-FZKQIMNGSA-N 358.398 1.542 0 40 FDAB OCCN1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22031137 KLNWXDQRLFKHDM-AWEZNQCLSA-N 359.455 1.196 0 40 FDAB Cc1ncnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)c1C 2086865232 YLYXFEDQFSYROG-UHFFFAOYSA-N 350.430 1.895 0 40 FDAB Cc1ccc(O[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)nn1 225467038 WIIQYXHDNNTAJJ-AWEZNQCLSA-N 365.459 1.367 0 40 FDAB COc1ccc(CNC(=O)c2nnn(Cc3ccc(F)cc3)c2N)cc1 4852327 QTWZHBWDSZSYCI-UHFFFAOYSA-N 355.373 1.986 0 40 FDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(C(=O)O)c(O)c1 11635266 GFICXZDAHSHOHM-UHFFFAOYSA-N 363.351 1.369 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)c1 19564221 RTQRVNZIZVURDT-CQSZACIVSA-N 366.425 1.423 0 40 FDAB Cc1nc(C)c(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(=O)[nH]1 40154867 KNCXWYWHTQOOOC-TXEJJXNPSA-N 371.441 1.577 0 40 FDAB Cc1ccc(C(=O)CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 22281715 KJEHDCNRDWVIIL-UHFFFAOYSA-N 357.410 1.467 0 40 FDAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(=O)n(C)c(=O)n1C 2737577 KVYMQCACWHVGOK-UHFFFAOYSA-N 365.817 1.844 0 40 FDAB COCCNC(=O)NC(=O)COc1ccc(Cl)cc1Br 8987962 IWXGTTZXLXMWGS-UHFFFAOYSA-N 365.611 1.954 0 40 FDAB COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 78846806 OHRNZKXJNPZPCM-AWEZNQCLSA-N 360.435 1.972 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CSC(C)(C)N1C=O 1761428 GZCNYXSDXQZKMU-ZIAGYGMSSA-N 350.440 1.197 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCCN(C(N)=O)CC2)cc1 79095750 NDBWDPHYVWKOJD-RMKNXTFCSA-N 360.414 1.881 0 40 FDAB CN1CC(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2C1=O 4388388 FGVBVXMTCZZLHC-UHFFFAOYSA-N 369.396 1.603 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 23652549 UKMRXNHHMWFAPZ-UHFFFAOYSA-N 359.382 1.585 0 40 FDAB Cc1noc(NC(=O)CCNC(=O)c2ccc(Br)cc2)n1 42702329 HLICFVUHTIKZSF-UHFFFAOYSA-N 353.176 1.899 0 40 FDAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc(OC)c1O 105631192 PXSAZLWPDIUSAQ-MICXRRPDSA-N 373.386 1.244 0 40 FDAB COCCNC(=O)CSc1nnc(Cc2ccccc2)n1CCOC 8105368 UXBSWCAXSBXEMV-UHFFFAOYSA-N 364.471 1.370 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)c(C)c1 8333544 NPQVTBMOQAEXMV-UHFFFAOYSA-N 368.499 1.511 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)NCC2(c3ccccc3)CC2)cc1 22427397 QIYIIQPJZNRPEY-UHFFFAOYSA-N 373.478 1.908 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 53368638 RPAQIUVYDZUMPJ-SNVBAGLBSA-N 369.365 1.371 0 40 FDAB CN(Cc1ccccc1N1CCCCC1)C(=O)Cn1ccc(=O)[nH]c1=O 12537092 FJSMKYASAPMGCJ-UHFFFAOYSA-N 356.426 1.186 0 40 FDAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCCC2)Oc2ccc(Cl)cc21 35511738 SPJNHOMNIFGRDC-AWEZNQCLSA-N 358.847 1.880 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)Cc1ccco1 22241285 DXFIVIHGUHUHKP-UHFFFAOYSA-N 360.414 1.099 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 20768576 HLJVFGRVKZMFGL-UHFFFAOYSA-N 372.443 1.555 0 40 FDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(COCC(F)(F)F)cc1 44723152 TVPICBGXJKTHED-GFCCVEGCSA-N 365.373 1.930 0 40 FDAB COC(=O)c1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 27499951 KEHZMXDMVYZURE-GXDHUFHOSA-N 362.407 1.799 0 40 FDAB CN1C(=O)c2ccc(C(=O)NCc3ccnc(-n4cccn4)c3)cc2C1=O 58201291 UYZHKJLUFMACQO-UHFFFAOYSA-N 361.361 1.423 0 40 FDAB O=C(NC1CCN(CC(=O)N2CCCC2)CC1)c1cc(Cl)ccc1O 56809371 WLWDHDWBFVAMCW-UHFFFAOYSA-N 365.861 1.862 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Oc1ccc(C(=O)OC)cc1Br 12731645 HFLODEUFMANCAG-ZETCQYMHSA-N 359.176 1.459 0 40 FDAB COc1ccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12788528 LNHLJSCLFSJJLE-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB CN1CCN(C2[C@H]3CCC[C@H]2CN(CC(=O)Nc2nccs2)C3)CC1 100769033 HPDRHBFLFCLRAD-GJZGRUSLSA-N 363.531 1.430 0 40 FDAB CCCCn1c(N)c(N(C)CCOc2ccc(OC)cc2)c(=O)[nH]c1=O 11035881 AYALMMKYWYYZPK-UHFFFAOYSA-N 362.430 1.443 0 40 FDAB CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)[C@H](C)COC 45535360 FGFHVDHILGGRQF-CYBMUJFWSA-N 359.492 1.553 0 40 FDAB COc1ccccc1-c1n[nH]c(NC(=O)c2cnc3sccn3c2=O)n1 48340109 GRVBVYRTGDQYKG-UHFFFAOYSA-N 368.378 1.802 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccc(F)cc2)NC(=O)NC1 12879004 TXTDMCDBJNSOTJ-JTQLQIEISA-N 366.345 1.266 0 40 FDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-c2nnn[nH]2)c1 12814956 QXRZOBUINIDPHX-UHFFFAOYSA-N 370.457 1.632 0 40 FDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC(=O)NCc1ccccc1 3542754 FZZVUIUZCAQTQY-UHFFFAOYSA-N 355.181 1.576 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CN2CCCC2)C[C@@H](C)O1 12976734 XGMSERRCVHTRLM-HZPDHXFCSA-N 367.515 1.726 0 40 FDAB CN(C)Cc1ccc(CNS(=O)(=O)c2cc(C(=O)O)cs2)cc1 13311895 JDQFRVXHTNZLLC-UHFFFAOYSA-N 354.453 1.986 0 40 FDAB CC(C)(C)NC(=O)COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 49612954 YPKGUXWJVNDGJR-UHFFFAOYSA-N 373.409 1.394 0 40 FDAB CN1CCN(c2cnn(-c3ccc(F)cc3)c(=O)c2Br)CC1 4395691 VEOJECYMAIKRIT-UHFFFAOYSA-N 367.222 1.886 0 40 FDAB Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)no1 14085436 AMONPRAMAAAVCK-UHFFFAOYSA-N 369.374 1.395 0 40 FDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cn(C)c(Cl)n2)cc1 84155049 JQEBLKDETOOPCG-UHFFFAOYSA-N 356.835 1.641 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cnccn1 4772663 XUCNDCXKHUYRSC-UHFFFAOYSA-N 370.394 1.701 0 40 FDAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 7676042 GLQFJHBQPKQCBS-LLVKDONJSA-N 369.381 1.885 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)NCCc1ccc2c(c1)OCCO2 8073912 GYXPFLDETRSFFR-UHFFFAOYSA-N 371.418 1.588 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)Cc2ccc(Br)cc2)C1=O 8316027 WISKVUIGZBADIZ-AWEZNQCLSA-N 354.204 1.743 0 40 FDAB CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1 95987285 OZDWSCUEAPTJHQ-VQISRLSMSA-N 372.462 1.913 0 40 FDAB COc1cccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)c1 306124295 BMEUWNOXVLRDER-MISYRCLQSA-N 367.449 1.967 0 40 FDAB CC(C)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 25136779 BSKIIJRWWUUJHH-UHFFFAOYSA-N 351.472 1.294 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)c(C)s1 548535868 WTPQHMJXVHTARF-GFCCVEGCSA-N 354.453 1.982 0 40 FDAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)O)cn12 306142983 XPTDOZIWEFWWDM-HNNXBMFYSA-N 352.398 1.311 0 40 FDAB CN(CC(=O)O)c1ncc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cn1 1506421608 RNTWVZMVLLZLPN-HNNXBMFYSA-N 369.425 1.487 0 40 FDAB Cc1cccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1 32854850 IKMWSBLOAPIKNU-FMKPAKJESA-N 365.455 1.341 0 40 FDAB NCC1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218156085 PLNOAWJXJULBTK-IRXDYDNUSA-N 360.435 1.259 0 40 FDAB O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 533051165 JWBUWVBCANMIIR-HNNXBMFYSA-N 373.434 1.509 0 40 FDAB Cn1ccnc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 76745481 YLDQKZJBNIXUML-UHFFFAOYSA-N 352.435 1.502 0 40 FDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NS(=O)(=O)c2ccccc2)cc1 72321665 SAGXZDCPKQDXIW-BRSBDYLESA-N 363.435 1.251 0 40 FDAB biogenic,in-vitro COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217534936 BJNIDTBQLITHMW-QWRGUYRKSA-N 360.432 1.145 0 40 FDAB O=C(O)[C@H](Cc1c[nH]cn1)NCc1cnc(CCc2ccccc2)nc1 218761690 FLQPUOJUOHEWFS-KRWDZBQOSA-N 351.410 1.770 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)COC 218205336 QKADZLWLXDYNMR-BFHYXJOUSA-N 362.289 1.941 0 40 FDAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 44196505 LXXDNOCTLHDRDQ-CQSZACIVSA-N 353.488 1.397 0 40 FDAB COc1cccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 46542071 PZCFGTVVGHKWHO-UHFFFAOYSA-N 355.437 1.577 0 40 FDAB O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1ccco1 96343816 ATVVABVTYLEEML-QGZVFWFLSA-N 369.421 1.882 0 40 FDAB biogenic O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccncn1 96044425 BGARNJMHGQGAMP-INIZCTEOSA-N 357.414 1.144 0 40 FDAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(N)c1 96520825 SQZLYEOIQDDUHM-QMMMGPOBSA-N 373.066 1.790 0 40 FDAB CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1cccc(F)c1)C2 96110347 KFHYJAWEMHVTJB-MJGOQNOKSA-N 350.434 1.912 0 40 FDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1 96069107 TYAVNVRCUBDYJD-JKSUJKDBSA-N 350.390 1.145 0 40 FDAB Cn1ncc2c1CCCN(C(=O)Nc1ccnc(O[C@@H]3CCOC3)c1)C2 585140135 PZNYYUVJKPZNEL-OAHLLOKOSA-N 357.414 1.963 0 40 FDAB Cn1cc(C(=O)NC[C@H]2CCC3(CN(Cc4cccnc4)C3)OC2)cn1 248129637 MXDZQUVZPWRHHC-MRXNPFEDSA-N 355.442 1.226 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)O)cc1 242437468 CBBVZULXJKEVAY-RYRKJORJSA-N 361.419 1.725 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245266531 JVTQDRHXOXEWFX-RKUHIEFHSA-N 350.374 1.971 0 40 FDAB Cc1cc(C(=O)N2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)cc(C)n1 247878203 PSMXFEMPFYJJOC-KRWDZBQOSA-N 359.470 1.652 0 40 FDAB CCn1cc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cn1 257289670 PZRSFYBBBNKYEF-UHFFFAOYSA-N 364.475 1.346 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2csc(C)n2)n1 257242588 IDFJBMNEDMDBDX-MRXNPFEDSA-N 359.455 1.784 0 40 FDAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1cncc(CNC(C)=O)n1 257219050 DFLCPTHAFGUAIM-INIZCTEOSA-N 357.414 1.949 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccccn2)CCN1CCc1ccccc1 257275075 NNUOJHSKZMVNHY-GOSISDBHSA-N 352.438 1.197 0 40 FDAB COc1ccc(CNC(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)cc1 85466851 MNTYGUQVVUBEHP-QGZVFWFLSA-N 359.426 1.849 0 40 FDAB COCC(=O)N1CCN(C(=O)c2cc(N(C)C)c3ccccc3n2)CC1 283059061 OSVOWMBONMOTAM-UHFFFAOYSA-N 356.426 1.232 0 40 FDAB CN(Cc1nncn1C)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644480691 DNDNYVDLOUSCGI-IBGZPJMESA-N 357.458 1.191 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCCO2 650231158 FYIJYXGYWPNNDQ-MRXNPFEDSA-N 371.411 1.102 0 40 FDAB O=C(NC[C@H](O)Cc1cccc(F)c1)Nc1cnn(C[C@H]2CCCO2)c1 652591136 XWBQFYQZXUTGSM-IAGOWNOFSA-N 362.405 1.926 0 40 FDAB CO[C@@](C)(C(=O)O)C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 663081545 NCNQKLDLARQNKI-GOSISDBHSA-N 358.398 1.667 0 40 FDAB C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)CS1(=O)=O 665158009 ADUYREDSGVMDDJ-YUELXQCFSA-N 369.462 1.669 0 40 FDAB NS(=O)(=O)N1CCC(Nc2ncc(Br)cc2F)CC1 698619855 OORDQRXEVUMYLJ-UHFFFAOYSA-N 353.217 1.063 0 40 FDAB COC(=O)[C@@H]1CCn2c(nnc2-c2sc(N3CCOCC3)nc2C)C1 601045655 YAENXFGMWGVCPG-LLVKDONJSA-N 363.443 1.282 0 40 FDAB Cc1nccn1CC(=O)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 390828777 UFRWGQYXAXZHFX-UHFFFAOYSA-N 373.438 1.532 0 40 FDAB Cc1cc(-n2ccnc2)ccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942762 VHXMEVZCQKXLLM-DLBZAZTESA-N 353.382 1.480 0 40 FDAB Cn1nccc1[C@H]1[C@H](NCc2noc3c2CCCC3)CC(=O)N1C1CC1 583620175 NZOJIIJLSCRMJQ-AUUYWEPGSA-N 355.442 1.881 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 107534764 CWJSVYDLYVHLNL-LSDHHAIUSA-N 371.890 1.847 0 40 FDAB Cc1nc(CN2CC[C@@H](n3cnc4c(N)ncnc43)[C@](C)(O)C2)cs1 1615527894 JPAXGCPMPVKLSG-MLGOLLRUSA-N 359.459 1.371 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C[C@@H](C)O1 12142800 OUFQCDIPYNLPJW-ZIAGYGMSSA-N 356.426 1.715 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 12185089 ODFBEHSCYKFGNC-DHYLWCPWSA-N 356.422 1.800 0 40 FDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccc3c(c2)OCO3)N1 12347254 BWQPLKKGAMQHKH-BZNIZROVSA-N 357.366 1.045 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1OC 16188416 AEPXYPPLOOZNNL-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CCN1CCN([C@H](c2ccccc2OC)c2nnnn2CCOC)CC1 19528100 WMLPEATVXVZCKO-QGZVFWFLSA-N 360.462 1.055 0 40 FDAB CCN(C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C1CCN(C)CC1 19666978 JINXMCXQUUBZHX-UHFFFAOYSA-N 372.469 1.695 0 40 FDAB CCCn1nc(-c2nnc3n2CC[C@@H](C(=O)OC)C3)c2ccccc2c1=O 601043482 BHKLFRCWKVHNGQ-GFCCVEGCSA-N 367.409 1.800 0 40 FDAB O=C1C(=O)N(Cc2cc(=O)n3ccccc3n2)C(=O)N1Cc1ccccc1 11391121 YNAJTGRHDOHHTG-UHFFFAOYSA-N 362.345 1.186 0 40 FDAB O=C(CN1CCC[C@@]2(CCCN(C(=O)c3cncnc3)C2)C1)N1CCCC1 2056224859 ZTOHVYIBCJAPHM-HXUWFJFHSA-N 371.485 1.417 0 40 FDAB Cc1csc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)c1 1565547701 WHVQMRVMSVZLHD-HZPDHXFCSA-N 351.516 1.924 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(C(=O)c3csnn3)C2)C1 1565544689 OCRPMIDWYSALCD-CRAIPNDOSA-N 373.482 1.829 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565552403 RWVMRZKGZXJCGO-UKRRQHHQSA-N 372.860 1.725 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1 4851141 BKWNJSYLBNRDPB-UHFFFAOYSA-N 353.378 1.948 0 40 FDAB CCc1ccc(CN2CCC(N=c3ccn(C)[nH]3)(C(=O)NC)CC2)cc1 2055745512 FVGSOYFFKVZZKB-UHFFFAOYSA-N 355.486 1.597 0 40 FDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@H]12 2055713513 YWCBBCCZLXDODO-VHSXEESVSA-N 356.304 1.015 0 40 FDAB CN1CCc2cc([C@@H](O)CNC(=O)C(=O)NCCC3=CCCCC3)ccc21 96362911 GXKSXPKBUZXMFM-IBGZPJMESA-N 371.481 1.835 0 40 FDAB O=C([C@@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1)N1CCOCC1 104944941 AHRQIDHBEHIZCV-OAHLLOKOSA-N 364.446 1.034 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCS(=O)(=O)C2CCCC2)n1 40121553 XPRZNHIRCANBJN-ZDUSSCGKSA-N 355.504 2.000 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCS2(=O)=O)cc1 20131842 HTXSXXJKYZBITQ-UHFFFAOYSA-N 374.418 1.885 0 40 FDAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCOCC1 20463134 XWCHGGUBARLYAC-UHFFFAOYSA-N 351.790 1.879 0 40 FDAB CCCN1CCc2c(sc3c2c(N[C@@H](CC)CO)nc2nnnn23)C1 20518020 QIKLRSBRKVWYEL-JTQLQIEISA-N 361.475 1.685 0 40 FDAB CC1CCN(CCCNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 102186265 ILXKRUZKEDJTEO-LAQRGFTBSA-N 359.470 1.032 0 40 FDAB CC(C)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCCCO2 32905041 JFHDVYRBFSFNJB-SFHVURJKSA-N 373.409 1.211 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCOc1ccccc1F 102959746 IEOISGFWJNEPCS-KBPBESRZSA-N 362.401 1.886 0 40 FDAB CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 662961 ZHWIMXPHCDFGBN-UHFFFAOYSA-N 372.450 1.737 0 40 FDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 2561191 HJAOJMGUKJHUMT-YOEHRIQHSA-N 369.421 1.514 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H](C)O[C@H](C)C1 22832624 KYAWMGBQANXGEF-VBQJREDUSA-N 366.483 1.399 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22811818 DICORDXSVDFUNY-SJORKVTESA-N 366.550 1.604 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)O)cc1 6934019 KWNQZDVAVFCVMJ-UHFFFAOYSA-N 359.363 1.282 0 40 FDAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 7806971 QSHOTWIEQJSSEO-VXGBXAGGSA-N 358.394 1.662 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)O1 24668984 YFHMNEVSOBRZRT-ZNMIVQPWSA-N 365.499 1.530 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 24923900 KIIXVQZFAPKRMQ-DVBCCOPCSA-N 368.389 1.804 0 40 FDAB Cn1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 55575082 FVIVOERRYMPYII-UHFFFAOYSA-N 362.333 1.513 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(=O)[nH]c3ccccc23)CC1 24865978 QPDODQJMCBBELE-UHFFFAOYSA-N 363.439 1.072 0 40 FDAB Cc1cccc(CCNC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 58178470 OPTHMIFVMSQEHY-UHFFFAOYSA-N 357.435 1.392 0 40 FDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O 10029789 JCLIDBLPZDSGEG-ADLMAVQZSA-N 363.414 1.386 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)[C@@H](C)C2)cc1 58230428 HGCGEWXFTJQXDO-ZDUSSCGKSA-N 355.394 1.512 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2c(-c3cccs3)noc2=O)CC1 58213511 LSJDLEAZSZTRGO-UHFFFAOYSA-N 365.411 1.367 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)NCc2cccnc2OCC(F)(F)F)C1 36391838 PXNTZXVPQJAARY-ZDUSSCGKSA-N 359.348 1.897 0 40 FDAB COC(=O)[C@@H]1CN(C(=O)CSc2cccc[n+]2[O-])c2ccccc2O1 10951316 FHPCHLWHFXDKBY-AWEZNQCLSA-N 360.391 1.379 0 40 FDAB NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3316614 SGKOUHBAXAJGEC-UHFFFAOYSA-N 374.846 1.547 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 59320006 FMXGHKLNASYUMF-NSHDSACASA-N 350.385 1.181 0 40 FDAB CCC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914244 YRDVOMQCVUHRFU-VIFPVBQESA-N 350.234 1.968 0 40 FDAB O=C(NCCC(=O)OCCn1cncn1)NC12CC3CC(CC(C3)C1)C2 48312237 HKWSHKLGODAEIX-UHFFFAOYSA-N 361.446 1.479 0 40 FDAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccs1 12867562 FBFKHOGNGQSTAH-LLVKDONJSA-N 364.448 1.917 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2ccccc21 12902806 CKMILPBDWODNQK-MRXNPFEDSA-N 369.446 1.919 0 40 FDAB O=C1C[C@H](C(=O)NCCc2ccccc2)NC(Nc2ccc(F)cc2)=N1 9227066 LDIGBNHKVQVQJQ-MRXNPFEDSA-N 354.385 1.841 0 40 FDAB O=C(CSCc1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 39998348 QVACNXMTXFRMAB-JTQLQIEISA-N 356.494 1.833 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 5291645 LUKIXGWOHGRYJD-UHFFFAOYSA-N 358.398 1.838 0 40 FDAB COc1cc(C(=O)Nc2ccccc2-n2cnnn2)cc(OC)c1OC 6421574 BAFOWYOCJAPHJD-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB C[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C(N)=O)C1 6680899 KMVQCVOBTFLXAO-LURJTMIESA-N 366.472 1.403 0 40 FDAB Nc1cc(=O)[nH]c(SCC(=O)NCCCSc2ccccc2)n1 9497607 BDEUOCLNBVVQAA-UHFFFAOYSA-N 350.469 1.743 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2sccc2C2CC2)C[C@@H](C)O1 67163432 DDOAORKHCOVQOD-VXGBXAGGSA-N 372.512 1.794 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 409205231 OVBUIWIYDRGAMX-OAHLLOKOSA-N 370.471 1.295 0 40 FDAB Cc1cc(C)c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1CO 97105238 FGYSEVQGVGVUNU-UHFFFAOYSA-N 361.423 1.232 0 40 FDAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72325440 WCJROEPKAHSXGT-INIZCTEOSA-N 364.405 1.980 0 40 FDAB biogenic CCCN(CC)c1ccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 72306493 QPMCSCBYIUSLLD-UHFFFAOYSA-N 360.502 1.945 0 40 FDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 78269259 ZODHLSVTCICPIV-AEFFLSMTSA-N 371.485 1.136 0 40 FDAB Cc1ccc(-c2nc(CC(=O)OCC(=O)N3CCOCC3)cs2)o1 73652791 GOPZIFPACINBMN-UHFFFAOYSA-N 350.396 1.656 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC=C(c2cncc(F)c2)CC1 95983127 GZEZIAPXPVGYCD-OAHLLOKOSA-N 370.471 1.757 0 40 FDAB O=C(CNS(=O)(=O)c1ccccc1)NCCN1CCc2ccccc2C1 554953840 HMCSGZHUAUAQED-UHFFFAOYSA-N 373.478 1.139 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc3c(s1)CCC3)C2 306126120 DNLBPGQKJOPNDA-ZDUSSCGKSA-N 369.508 1.903 0 40 FDAB Cn1c(O)nc2ccc(C(=O)N3CCC(C)(N4CCOCC4)CC3)cc21 529913371 GRBQLOZCRBAEHQ-UHFFFAOYSA-N 358.442 1.606 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)s1 79045440 HWUQXYUXFMSVKF-NSHDSACASA-N 368.484 1.744 0 40 FDAB CN1C[C@@H](C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)CC1=O 72389839 ZQAPTPINPURZIJ-HNNXBMFYSA-N 353.426 1.417 0 40 FDAB COC(=O)CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 32641261 FMLWZLKNEMBGJN-GFCCVEGCSA-N 359.831 1.071 0 40 FDAB Cc1cc(=O)oc2ccn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c12 1547212364 WMXGMZFXLCPVFE-UHFFFAOYSA-N 353.334 1.001 0 40 FDAB CN1CCCN(c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cn2)CC1 69598056 HKAJASBHTYGTOL-UHFFFAOYSA-N 354.458 1.754 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 218335444 YLZVJCPUAYIXNN-HUUCEWRRSA-N 368.451 1.872 0 40 FDAB COCc1nn2c(=O)cc(COC(=O)c3ccccc3OC)nc2s1 41077312 HRANEMXUERJJSY-UHFFFAOYSA-N 361.379 1.663 0 40 FDAB Nc1ncnc2c1n1c(SCC(=O)O)nnc1n2Cc1ccccc1 85397321 GKEOOEOFGDIIHE-UHFFFAOYSA-N 355.383 1.281 0 40 FDAB CC(=O)Nc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 42631015 SNOCDWWNOAEEQJ-LBPRGKRZSA-N 361.423 1.951 0 40 FDAB COc1ccccc1O[C@H](C)CNS(=O)(=O)N1CCC(C(=O)O)CC1 572599063 MCULHXOXXPYYPR-GFCCVEGCSA-N 372.443 1.094 0 40 FDAB O=C(c1ccc(Cl)cc1)[C@@H](C(=O)N1CCOCC1)n1ccccc1=O 199403142 KLQRPQREJAEYHX-INIZCTEOSA-N 360.797 1.785 0 40 FDAB O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96062458 SCJLQJWERVUWLX-GOSISDBHSA-N 365.499 1.621 0 40 FDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccs2)C1)N1CCCCO1 96057683 YNYVDHOVTDVSKO-BFHYXJOUSA-N 350.440 1.922 0 40 FDAB O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCC1)C2 514289300 KWZKGKUOMUEAIY-RTBURBONSA-N 355.482 1.113 0 40 FDAB biogenic,in-vitro Cc1nnc(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)s1 94993111 YUMGODYZRMVBAP-KRWDZBQOSA-N 358.423 1.892 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)Cc2ccccc2)C[C@@]2(CNC(=O)C2)C1 96262014 LJXYZDAVSDKMAM-HXUWFJFHSA-N 357.454 1.062 0 40 FDAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cnn(C)c2)C3)cs1 248129320 MQJCZSSXLKHUQG-OAHLLOKOSA-N 362.455 1.775 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247794971 BZSLCCHFZDMDQF-CQSZACIVSA-N 369.377 1.658 0 40 FDAB COCCOCC(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 25160931 AULCEEHPHQSNBW-GFCCVEGCSA-N 373.475 1.142 0 40 FDAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)Cn1ncc2ccccc2c1=O 257288771 PVOOXVYSFYVKBL-PXNSSMCTSA-N 354.454 1.872 0 40 FDAB Cc1nc([C@H]2CN(C)CC23CN(C(=O)c2cc(C(C)C)nn2C)C3)n[nH]1 1775958083 BYCVDBVRZSQQHF-CYBMUJFWSA-N 357.462 1.141 0 40 FDAB CN1CCN(c2ccc(CCNC(=O)c3ccnc4ccnn34)cc2)CC1 1121228583 GTMUMADIELIVJZ-UHFFFAOYSA-N 364.453 1.454 0 40 FDAB COc1ccccc1N1CC[C@@H](N2CCN(c3ncns3)CC2)C1=O 660703129 OZDIPCDJGBXZHR-CQSZACIVSA-N 359.455 1.474 0 40 FDAB COc1cccc(N2CCC[C@@H](NC(=O)N3CCN(C4CC4)C(=O)C3)C2)c1 673980798 VTNDHXLYOIYPSL-OAHLLOKOSA-N 372.469 1.680 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@H]2CCCc3ccccc32)CCO1 681943920 PZCPPZGQTQAJJC-AEFFLSMTSA-N 374.437 1.267 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 390830348 KKYQTTXJGQEZHE-UHFFFAOYSA-N 367.409 1.803 0 40 FDAB O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575405310 RZKLXHCMRLDROE-QGZVFWFLSA-N 366.377 1.695 0 40 FDAB CC(C)NC(=O)CN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 585100832 YLLGGWAHZYSXTC-FQEVSTJZSA-N 358.486 1.953 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@@H](O)C2)C3)c1 585104882 VUMHVHUNBSNWON-IAGOWNOFSA-N 374.481 1.779 0 40 FDAB CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@@H]1C 585097726 NIHVYRWDHTWIGY-HNNXBMFYSA-N 362.474 1.624 0 40 FDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccncc2Cl)[C@H]2CO[C@@H]1O2 952844902 RSYSGMWLNUSNSC-DGXTUMSLSA-N 350.806 1.055 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCc2cc(OC(F)F)ccc21 57361050 QMGNMJLVRNPTNB-AWEZNQCLSA-N 374.409 1.991 0 40 FDAB C[C@@](O)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccco1 73443548 DMLZHDFDSOJYRY-GOSISDBHSA-N 365.474 1.821 0 40 FDAB CCOC(=O)Sc1nc(C[C@@H](C(=O)OC)N(C)C)cn1C(=O)OCC 38895962 UBOPOYZHEHKAKR-NSHDSACASA-N 373.431 1.782 0 40 FDAB in-vitro O=C1COc2ccc(CN3CCCC[C@H]3C(=O)N3CCOCC3)cc2N1 508189556 GJZLLCSQRZLQDN-INIZCTEOSA-N 359.426 1.231 0 40 FDAB O=C1[C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2C(=O)N1Cc1ccccc1 661181793 YLDZLSRYGCXSCK-GASCZTMLSA-N 352.394 1.564 0 40 FDAB O=C1CCc2cc(S(=O)(=O)NCCN3CCc4ccccc43)ccc2N1 12362168 DLXDYDMFWBVVDQ-UHFFFAOYSA-N 371.462 1.912 0 40 FDAB Cc1csc2ncc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)c(=O)n12 19240375 QCFLMGYTRFULMQ-UHFFFAOYSA-N 370.390 1.672 0 40 FDAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccn1 19749293 FLNIUPDAQIPLLS-OAHLLOKOSA-N 368.437 1.747 0 40 FDAB Cc1ccn(CCC(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)n1 643551051 GHWWQPMZHZOABV-QWFCFKBJSA-N 355.438 1.728 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ccn5nccc5n4)C[C@H]3C2)c1F 1888891002 QSHZPDBXPDBATI-STQMWFEESA-N 353.405 1.793 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1889175206 YSKSLWHITFRIJO-UHFFFAOYSA-N 370.862 1.948 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@@]23C=C[C@H]1O3 100314597 YSWNWJUKLUOERO-ZAZJYDDPSA-N 350.168 1.820 0 40 FDAB O=C1COC[C@@]2(CN(Cc3cncnc3)CCO2)CN1c1ccccc1 2037980753 HJKZALPJJYJPBC-LJQANCHMSA-N 354.410 1.111 0 40 FDAB Cn1cncc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984599 GTEOSTKCDNOCGB-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB CCC(CC)NC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1cnn(CC)c1)CCO2 2056226277 OKGPQKFIUUDEHT-MJGOQNOKSA-N 364.490 1.568 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CC1(O)CCC1)C2 1614937756 NYLKIBWAHNLAOV-QGZVFWFLSA-N 363.483 1.303 0 40 FDAB COc1cnccc1C(=O)N1CCCn2c(nnc2CN(C)C(C)C)C1 2055714873 WAIIUUJAGZSCDQ-UHFFFAOYSA-N 358.446 1.568 0 40 FDAB O=C(CN1CCN(c2ccc(C3CC3)nn2)CC1)NCc1cccs1 575621539 XZDBJRHJNLMQCB-UHFFFAOYSA-N 357.483 1.854 0 40 FDAB Cn1cc(-c2nccnc2CNC(=O)c2cccc(-n3cccn3)c2)cn1 575619217 ITEJWLYYDQGQJU-UHFFFAOYSA-N 359.393 1.993 0 40 FDAB O=C(NC[C@H]1CCOC1)c1sccc1S(=O)(=O)N1CCCCC1 40089181 LXOSPKVVRULUAC-GFCCVEGCSA-N 358.485 1.689 0 40 FDAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32095494 RXRABFXRWWERFK-KRWDZBQOSA-N 373.388 1.942 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCc2nnsc2Cl)cc1OC 21242399 SCMNMKZWQKACQI-UHFFFAOYSA-N 371.802 1.682 0 40 FDAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(C(C)C)c1=O 20611218 BOVKLGFQEVHRFW-INIZCTEOSA-N 370.409 1.548 0 40 FDAB biogenic O=C(NCc1ccncc1)c1nc(COc2ccc3c(c2)OCO3)no1 20719352 FDWUXPGFWHUFIZ-UHFFFAOYSA-N 354.322 1.702 0 40 FDAB NC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 21448618 OSEFZWWJSYUFBU-MJGOQNOKSA-N 366.417 1.847 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COCC(F)(F)F)cc1 32873751 FXXWNTHTDYLYTF-LBPRGKRZSA-N 351.346 1.682 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCC(NS(C)(=O)=O)CC1 32865293 XQTXUTJODUOROH-UONOGXRCSA-N 365.499 1.366 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 32901465 CQAYHJABPFHHAT-UHFFFAOYSA-N 366.483 1.770 0 40 FDAB Cc1cnc(C(=O)N2CCN(c3ncc(Br)cn3)CC2)cn1 32924816 QHIIORYFZDAVPB-UHFFFAOYSA-N 363.219 1.300 0 40 FDAB Cc1cc(I)ccc1S(=O)(=O)N1CCOCC1 831017 DCPUWOFLLHTBKM-UHFFFAOYSA-N 367.208 1.621 0 40 FDAB Cc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)n2C)cc1 904783 RDBNXSYSXGZCGG-UHFFFAOYSA-N 362.455 1.653 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(n2cnnn2)CCCCC1 79486232 KWWVVJNJEGONON-UHFFFAOYSA-N 356.430 1.808 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2sccc2C(N)=O)C1 104095434 CVYZWXMSUWJNFE-MNOVXSKESA-N 353.444 1.449 0 40 FDAB CCc1noc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1 22751165 GBWSAELBBVTZGU-UHFFFAOYSA-N 370.456 1.340 0 40 FDAB CCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O 4133575 HLZPHVBFOUUJBP-UHFFFAOYSA-N 362.499 1.795 0 40 FDAB Cc1ccc(COCCOCn2cc(Br)c(=O)[nH]c2=O)cc1 4697965 FHQZTGDLFYEGNE-UHFFFAOYSA-N 369.215 1.798 0 40 FDAB C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1 100779218 XAAARDMGPYXDRR-LUYZLQTOSA-N 361.442 1.198 0 40 FDAB Cc1csc(=O)n1CC(=O)NCC1(N2CCOCC2)CCCCC1 23584724 ZIFULFKOIZFXLA-UHFFFAOYSA-N 353.488 1.370 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCCN(c2ncccn2)C1 24634983 XCYHIWNCSADDBG-MRXNPFEDSA-N 363.425 1.972 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 24814567 MBOWLQYNLZFLKE-HNNXBMFYSA-N 365.499 1.301 0 40 FDAB Cc1ccccc1CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 24602049 MDDCZJKPEALBAF-UHFFFAOYSA-N 372.498 1.753 0 40 FDAB C[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C(=O)N(C)C 58192975 RWRFVDNSAANOMD-ZETCQYMHSA-N 353.213 1.343 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)CN2CCCc3cccc(F)c32)cc1 12793610 PPKVSMDIKJIHGQ-UHFFFAOYSA-N 363.414 1.864 0 40 FDAB Cc1ccc(C(=O)NCCNS(=O)(=O)N2CCC(C)CC2)cc1F 12757445 UNDKVIQKUJHMFA-UHFFFAOYSA-N 357.451 1.430 0 40 FDAB O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)OCCO2 58356675 NKJSMAIGJMREPD-UHFFFAOYSA-N 353.227 1.916 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100869998 YSWNWJUKLUOERO-OZTPJHRESA-N 350.168 1.820 0 40 FDAB CCc1ccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc1 2247719 ATQIRFMOBSBGSV-BOPFTXTBSA-N 350.447 1.751 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CCO1 48365054 LJCZYOCBBLYPBL-IUCAKERBSA-N 361.261 1.876 0 40 FDAB Cc1ccc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)cc1 10277809 IEWNTNYQGARFSI-UHFFFAOYSA-N 367.515 1.753 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)NCCc2ccccc2F)CC1 95469657 JQQMEGCMNXNQOJ-UHFFFAOYSA-N 364.465 1.610 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 11565113 WMTPSYVSIRXJJI-UHFFFAOYSA-N 370.434 1.710 0 40 FDAB COc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 3454733 JQLSKEVGQBJWLQ-AWEZNQCLSA-N 357.410 1.755 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 95401944 BAICXXCYCWAWJS-HZMVEIRTSA-N 368.522 1.120 0 40 FDAB O=C(O)CCn1c(SCC(=O)NC2CC2)nnc1-c1cccs1 13035418 UHUZIULBDBHOBP-UHFFFAOYSA-N 352.441 1.852 0 40 FDAB CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 5016609 PWGXNDFQJVHBHE-UHFFFAOYSA-N 360.863 1.885 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)nc1 14160277 QSAIBVZRGWNUSB-ZDUSSCGKSA-N 351.815 1.336 0 40 FDAB COCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14140945 BVBYLHZWNJKEGI-UHFFFAOYSA-N 366.483 1.339 0 40 FDAB Cc1nn(CC(=O)NC2CCCCCC2)c(C)c1S(=O)(=O)N(C)C 6605042 BKEWOCDUASKFAV-UHFFFAOYSA-N 356.492 1.589 0 40 FDAB CCc1ccc(-n2c(O)nc3nc(N4CCN(C)CC4)ncc3c2=O)cc1 67264250 VJPOYEWIFAJFDQ-UHFFFAOYSA-N 366.425 1.196 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)C1 9503941 AUQFJRANTATMRN-CXAGYDPISA-N 368.437 1.889 0 40 FDAB COc1ccccc1Cn1c(NN)nc2cc(OC)c(OC)cc2c1=O 408712751 NIKTUMQMIGDXII-UHFFFAOYSA-N 356.382 1.756 0 40 FDAB CCOC(=O)c1cn([C@H]2C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)nn1 38534506 OBFAHFOFBSEPOF-JQWIXIFHSA-N 368.390 1.178 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1OC 8092813 ASSQDYDGDTTWQV-SECBINFHSA-N 356.810 1.063 0 40 FDAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1ccco1 8197801 QPPBHGBBPKBNLK-ZDUSSCGKSA-N 365.455 1.989 0 40 FDAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 8476130 JVMFOOWHNUBSSC-CQSZACIVSA-N 368.455 1.389 0 40 FDAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2c(-c4cncnc4)ccc(=O)n2C3)CC1 20503464 AGUVPCOYPRWWKC-JKSUJKDBSA-N 365.481 1.819 0 40 FDAB biogenic,in-vitro CN(CCOc1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 9762294 OXPIYOSGJACEIG-UHFFFAOYSA-N 370.452 1.034 0 40 FDAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)n(C)c2=O)ccc1O 96997795 UBPGELXNIWWRJC-VJTUXUFQSA-N 371.414 1.636 0 40 FDAB Cc1csc([C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C2CC2)n1 72297315 GSJNSPJOGZCDDI-ZDUSSCGKSA-N 368.484 1.911 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)o1 95965891 YWGHGQFOCNMXLE-KRWDZBQOSA-N 364.423 1.576 0 40 FDAB Cc1ccc([C@@](C)(O)CNC(=O)COc2ccc3c(c2)CCC(=O)N3)o1 76086866 FBZFDGBDVFIMEZ-IBGZPJMESA-N 358.394 1.875 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F 113947437 AINDASDUSSAWRM-NFAWXSAZSA-N 369.462 1.743 0 40 FDAB O=C(c1cccc(O)c1)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306125229 CJYAFXLCXVVSJL-OAHLLOKOSA-N 365.451 1.448 0 40 FDAB CC(C)c1noc([C@@H](NC(=O)[C@H]2CN(C)CCO2)C2CCOCC2)n1 548333153 IMTQNTPSUQVFCQ-KGLIPLIRSA-N 352.435 1.108 0 40 FDAB C=CCCC(=O)N1CCN(c2cccc3c2C(=O)N(CCOC)C3=O)CC1 12217273 GGNFMBAHNRQYAS-UHFFFAOYSA-N 371.437 1.544 0 40 FDAB CN(C)Cc1c(C(=O)c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n1C 34925684 ZEFMRJXWIALPSX-UHFFFAOYSA-N 370.236 1.683 0 40 FDAB NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1cccnc1)CCC3 36646055 WTZKVJHCHATVQV-UHFFFAOYSA-N 372.475 1.967 0 40 FDAB NC(=O)c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 8774387 PMCIYDWENIFQBM-IPYPFGDCSA-N 362.455 1.450 0 40 FDAB biogenic CSc1nnc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)s1 222889924 NUMCHITYSJACOX-JTQLQIEISA-N 372.497 1.831 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225921348 UQAJDFGFJFRJEL-MRXNPFEDSA-N 368.499 1.857 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccccc1 223613631 AVHHAQVBUADCJL-UHFFFAOYSA-N 350.415 1.951 0 40 FDAB COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)C(=O)O 582975592 NNPKNLVACJSFGJ-RXMQYKEDSA-N 356.169 1.348 0 40 FDAB COCCn1cnc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c21 96264254 OTUJXDZOADHUOO-UHFFFAOYSA-N 354.414 1.014 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181643 OLDZMUGCWFOOKM-SJORKVTESA-N 360.389 1.713 0 40 FDAB CC(=O)N1CC2(CCN(Cc3nccs3)CC2)[C@]2(CCN(C)C2=O)C1 97952877 IGCYSJJZIAILFQ-GOSISDBHSA-N 362.499 1.436 0 40 FDAB CN(Cc1ccco1)[C@@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1 96048037 XXJKOUWDIZPETJ-AWEZNQCLSA-N 354.472 1.827 0 40 FDAB Cc1cncc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)c1 96255726 ITTPLDHERMUTET-UHFFFAOYSA-N 353.426 1.258 0 40 FDAB c1csc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)n1 96052355 XLCPJEUITFTDJD-WBVHZDCISA-N 353.488 1.225 0 40 FDAB CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2 96207648 ZJZQFKUPIPDGQE-SJORKVTESA-N 353.488 1.392 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)c3ccco3)CC2)N1S(C)(=O)=O 96208305 LSFBDOLXPASPBM-CYBMUJFWSA-N 356.444 1.325 0 40 FDAB Cc1cc2c(=O)n(CCCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c2s1 96542389 PJXQCWLGCXJWKN-UHFFFAOYSA-N 369.402 1.746 0 40 FDAB COC(=O)C[C@H](c1cnn(C)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96118077 UZPQLSNTPFAZHH-LLVKDONJSA-N 362.773 1.482 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)o1 248121137 VEIWEBGTDDWSBI-OAHLLOKOSA-N 364.471 1.813 0 40 FDAB CCOCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 257214490 CMECCEWOBJXTJD-HXUWFJFHSA-N 372.469 1.623 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cn2)C[C@@H]1C(N)=O 257233430 GPFJNJHBLPHDGA-QGZVFWFLSA-N 354.410 1.048 0 40 FDAB COc1cccc([C@H]2Oc3ccccc3CC23C(=O)NC(=O)NC3=O)c1 524731546 BHUQWUKGWSIOPA-OAHLLOKOSA-N 352.346 1.724 0 40 FDAB biogenic Cc1cc(-c2ccc(C[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257330020 XMKWKFAVQZDKKZ-OAHLLOKOSA-N 363.487 1.841 0 40 FDAB Cc1ncncc1C(=O)N1CCC[C@H](c2nccnc2-c2cncn2C)C1 257290360 QCQNXDXNTUBTBX-AWEZNQCLSA-N 363.425 1.995 0 40 FDAB CCOc1ncccc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257328042 XDVXDZBNEIWXFI-OAHLLOKOSA-N 356.426 1.931 0 40 FDAB CC(C)n1nc(CN2CCCC2)c2c1CN(S(=O)(=O)C1CC1)CC2 96084242 YESKDJKLVOUGDI-UHFFFAOYSA-N 352.504 1.910 0 40 FDAB Cc1nc(-c2ccccn2)nc(N2CCC(CS(N)(=O)=O)CC2)c1C 601526334 YTTKZBWFQLCXLE-UHFFFAOYSA-N 361.471 1.660 0 40 FDAB CCc1cc(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)nn1C 1116522970 HVYWGAKIHRPELE-GOSISDBHSA-N 360.433 1.925 0 40 FDAB CN(C)c1ccc([C@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)nn1 643903760 PSTIPUKSVONZGZ-CYBMUJFWSA-N 357.380 1.700 0 40 FDAB COc1nn(C)cc1NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644447321 VKKPAPXGLRSQDI-IBGZPJMESA-N 358.442 1.784 0 40 FDAB O=C(c1ccnc(OCC(F)F)c1)N1CCN(C[C@H]2CCCO2)CC1 677503663 LNGJCJYLXFYWJT-CQSZACIVSA-N 355.385 1.662 0 40 FDAB COCC1(C2CCC2)CN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)C1 664834270 VREIFBHXDNVQHO-ZFWWWQNUSA-N 373.519 1.162 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3ccccc3F)ccc21 585271715 JKCZXIHVHHVNRH-UHFFFAOYSA-N 366.395 1.858 0 40 FDAB NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)nc1 675106434 XLSIXBIBGVMMKQ-CABCVRRESA-N 361.446 1.474 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)C1 858582776 DBMJMWMKKMVNCJ-BNOWGMLFSA-N 369.890 1.662 0 40 FDAB CO[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21 196739452 OBWXDZPCMDDANS-OAHLLOKOSA-N 352.799 1.578 0 40 FDAB in-vitro Cc1cc(CNC(=O)Cn2cnc3c2CCNC32CCOCC2)cc(C)n1 1615553522 WSVSEAKTURKZMS-UHFFFAOYSA-N 369.469 1.363 0 40 FDAB CCOC(=O)c1ccc(NC(=O)OCCNC(=O)C(=O)OC(C)C)cc1 5796996 BXRPNFFLUCZLAH-UHFFFAOYSA-N 366.370 1.480 0 40 FDAB CC(C)NC(=O)Cn1nc(-c2cccc(F)c2)n(-c2ccncc2)c1=O 12117402 BYVUXTHMAABVMZ-UHFFFAOYSA-N 355.373 1.760 0 40 FDAB COc1cccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 12773735 CBUBWNYDQBLWQG-UHFFFAOYSA-N 359.407 1.763 0 40 FDAB CN1CCc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C1 15880140 ABGZRNSGBYSMAQ-UHFFFAOYSA-N 351.453 1.787 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 16455343 OZAATZCMZLOXAU-QGZVFWFLSA-N 361.398 1.971 0 40 FDAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(F)c(=O)[nH]2)on1 19579249 KWIKPUVQUNOOHK-NSHDSACASA-N 350.350 1.510 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccn(C)n2)nc2ccccc12 19716392 AYNMZIGZCFMTEU-GOSISDBHSA-N 363.421 1.986 0 40 FDAB O=C(c1ccc(Cl)cc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 253394594 GHWRPOILBSBXPA-UHFFFAOYSA-N 356.875 1.675 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)nn1 1888843209 CEYDXOSRMRNFAO-QWRGUYRKSA-N 366.347 1.437 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ncccc5F)C[C@@H]4C3)ncnc21 1888903859 AZCQWPSWOYPTKU-RYUDHWBXSA-N 367.388 1.106 0 40 FDAB O=C([C@H]1CN(Cc2ccc(Br)cc2)CCO1)N1CCOCC1 1889130255 FJDHOCPKBXZMQX-OAHLLOKOSA-N 369.259 1.509 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 22023448 RPMHQEFNWQDEKJ-JTQLQIEISA-N 370.427 1.613 0 40 FDAB O=C(CN1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1)N1CCCC1 2037873519 SJLJHESPOQJLOW-LMNJBCLMSA-N 371.481 1.313 0 40 FDAB Cc1ccc(OCC2(O)CCN(CC(=O)Nc3cnn(C)c3)CC2)cc1C 2037915916 AWYSYDKOKUDYLK-UHFFFAOYSA-N 372.469 1.881 0 40 FDAB COC1(CC(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)CCC1 1565551363 PMHHIQMZTUSJHM-UHFFFAOYSA-N 360.458 1.490 0 40 FDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2 1565544045 BPZGCHUBXLEQRW-UHFFFAOYSA-N 357.414 1.887 0 40 FDAB Cn1cccc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)c1=O 1565553941 HPFIHBQJQOUHTG-UHFFFAOYSA-N 367.453 1.698 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 630570 PMHKJPKULSECBC-ZIAGYGMSSA-N 368.499 1.834 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCc2ccccc21 4139833 FMDNBONTEAEBDQ-UHFFFAOYSA-N 372.388 1.567 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccn1C 11899005 UXUAFXCHLZMXAC-INIZCTEOSA-N 362.861 1.714 0 40 FDAB O=C(NCc1ccccn1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850980 VFSWFBUMGDSPBO-ZDUSSCGKSA-N 360.439 1.056 0 40 FDAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1cccc(F)c1)CC2 2055732725 VNHKFWYFVJUZFX-LBPRGKRZSA-N 353.419 1.711 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)o1 2055732744 XWIABAVZKBHKKF-SWLSCSKDSA-N 361.423 1.658 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CC(c2nc(-c3ncccn3)no2)C1 49482805 QUORYMFNLHNRGH-UHFFFAOYSA-N 361.365 1.502 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccoc2)CC1 575621621 ZJLXVOSZKARFHR-UHFFFAOYSA-N 364.427 1.024 0 40 FDAB COc1ccnc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1 585594304 WXYXGEUTYHCJAS-UHFFFAOYSA-N 366.429 1.515 0 40 FDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40107987 YBIPZXQHUMQSKR-MRXNPFEDSA-N 359.474 1.692 0 40 FDAB O=C(NCCOc1ccccc1F)c1cccc(CN2C(=O)CNC2=O)c1 31389865 LLTPJCZGNMWIBK-UHFFFAOYSA-N 371.368 1.686 0 40 FDAB COC(=O)CNC(=O)c1cn(CCF)c2c(F)c(OC)c(F)cc2c1=O 20745824 RTFXLKRGBWQRHU-UHFFFAOYSA-N 372.299 1.161 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1ccc(OC)cc1 41154573 NTNGOLFWGKNYTK-CQSZACIVSA-N 368.455 1.226 0 40 FDAB COc1ccc([C@@H](CNc2cc(C)nc3ncnn23)N2CCOCC2)cc1 32717182 SBIXSJZWYMHYGU-QGZVFWFLSA-N 368.441 1.927 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC1 46969259 XQCGSUPBULGFMQ-CQSZACIVSA-N 360.458 1.376 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 12373968 BMTCCDSXNHXAQL-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB Cc1csc2nc(CN3CCC(c4nnc5n4CCC5)CC3)cc(=O)n12 47258721 LYJRBDJYYJUIDO-UHFFFAOYSA-N 370.482 1.982 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4108479 MVVRECSWYQVSNV-SZOQZIPDSA-N 354.786 1.726 0 40 FDAB Cc1cccc2nc(C(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)cn12 23557222 HBKLKKJCMVLONU-UHFFFAOYSA-N 355.398 1.788 0 40 FDAB CC(=O)N1CCN(C(=O)CN2CCN(c3ccccc3Cl)CC2)CC1 54530571 PKAWWBRUQFATKM-UHFFFAOYSA-N 364.877 1.153 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C(=O)OC 7756617 HABWEXOLNVUYDK-AWEZNQCLSA-N 364.423 1.456 0 40 FDAB COc1ccc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cn1 54798726 VPNNDSLIAQZWDL-GUYCJALGSA-N 352.456 1.905 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1 8158197 BSWFXPFDTUQUSF-UHFFFAOYSA-N 368.842 1.943 0 40 FDAB CS(=O)(=O)c1ccc(F)c(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 24594313 LBMSPCRIQOSUGP-UHFFFAOYSA-N 368.430 1.816 0 40 FDAB C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1278230 RGCKYJOSEHCNTI-ODUNQGDFSA-N 363.801 1.965 0 40 FDAB O=C(CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)NCCc1ccccc1 106637687 BECMKMJCEOGGMO-GOSISDBHSA-N 371.481 1.643 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 57511334 OUJJSZUIQGZDLN-UHFFFAOYSA-N 363.805 1.835 0 40 FDAB CCCCc1noc(CN2CCN(CCNC(=O)c3ccco3)CC2)n1 27284177 ZFKFDEJCXRBLJT-UHFFFAOYSA-N 361.446 1.553 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OC[C@@H]3CCCCN32)cc1 58160531 VIEJIVVLDKMNMZ-JKSUJKDBSA-N 360.410 1.972 0 40 FDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 58167998 JCQWUBKARLSRBJ-QFBILLFUSA-N 363.433 1.686 0 40 FDAB O=C(O)[C@H]1[C@@H](C(=O)O)[C@]23CCCC2=C2CC[C@@]3(C(=O)O)[C@@]3(C(=O)O)C[C@]213 100136165 WDFFTASVTGENSX-KYFXXEOISA-N 362.334 1.208 0 40 FDAB in-vitro COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)O)c(=O)oc2c1 2120903 FNOLPVMUEYKOMR-ZDUSSCGKSA-N 365.407 1.585 0 40 FDAB biogenic COc1ccc(F)cc1C(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 10573415 NYTRAPWLCHMJCX-UHFFFAOYSA-N 373.402 1.232 0 40 FDAB CC(C)c1ccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36359291 KLOOQUBWCOEWLC-AWEZNQCLSA-N 353.444 1.235 0 40 FDAB NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 2354011 IKFTYZFLZWVADA-UHFFFAOYSA-N 354.248 1.975 0 40 FDAB Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2c(C)nn(C)c2n1 27673166 HZYTUZWPBFRANS-UHFFFAOYSA-N 359.411 1.485 0 40 FDAB COc1ccc(Br)c(C(=O)OCC(=O)NC[C@@H]2CCCO2)c1 3412041 IAXKVHPZXASAPM-NSHDSACASA-N 372.215 1.910 0 40 FDAB CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1I 72343543 IKHNJKCSCVJLGL-SNVBAGLBSA-N 360.199 1.831 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 3546135 NMEZXWFDFBQQCC-UHFFFAOYSA-N 369.834 1.595 0 40 FDAB O=C(NC1CCN(C(=O)Cn2nnc3ccccc32)CC1)c1ccccc1 12943758 ACXPFNUBXDHFJD-UHFFFAOYSA-N 363.421 1.852 0 40 FDAB O=C(C1CC1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 9076704 ZHLIPWDGTKDDPL-CQSZACIVSA-N 361.467 1.434 0 40 FDAB CC(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 39558700 HMCCTGZIGYIOGU-UHFFFAOYSA-N 367.365 1.183 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7044091 UCVGXGSXLPSQMT-NSPYISDASA-N 370.409 1.471 0 40 FDAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CC2)NC(=O)N[C@@H]1C 9499385 RGWSTVYQDAVCKF-GFCCVEGCSA-N 358.394 1.780 0 40 FDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnsc1Cl 8324534 GCOYBUJDGKMTMO-AWEZNQCLSA-N 350.787 1.921 0 40 FDAB CCCCNC(=O)NC(=O)COC(=O)c1c[nH]nc1-c1ccc(OC)cc1 8725598 PLWDBAFNIYONBV-UHFFFAOYSA-N 374.397 1.868 0 40 FDAB COc1ccc2cc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)c(C)nc2c1 9752272 MIDIJKQIXUDMQI-LLVKDONJSA-N 357.366 1.649 0 40 FDAB Cn1c(=O)/c(=C/c2cc(Cl)ccc2O)s/c1=C\C(=O)c1ccco1 96997954 PBJXEHHNCIRPBQ-SRKDFGFSSA-N 361.806 1.891 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1 89453913 OEXWBWSKCHDTJE-AWEZNQCLSA-N 353.421 1.502 0 40 FDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1=O 22607730 BSILVSCAUJGQKN-LBPRGKRZSA-N 355.398 1.632 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1OCC 408699192 VHRJQXYUYNJLTQ-UHFFFAOYSA-N 363.439 1.709 0 40 FDAB CN1CCN(CCCNC(=O)COc2ccc(Br)cc2)CC1 61524219 KAQSRARHITVTCZ-UHFFFAOYSA-N 370.291 1.582 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36071135 VSOCQLWYMXIQFR-OAHLLOKOSA-N 360.439 1.157 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCc3c2cnn3C)c1 46811548 HZUIBPHMHUXWLH-ZDUSSCGKSA-N 351.428 1.793 0 40 FDAB COc1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cc1 49551142 MGBIRLMNBIDZKF-UHFFFAOYSA-N 369.425 1.561 0 40 FDAB Cc1nn2c(ncc3c(=O)n(NC(N)=S)ccc32)c1-c1ccc(F)cc1 40397018 QMAZUFAYUWPJPE-UHFFFAOYSA-N 368.397 1.946 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)cc1F 224204132 MTOWPMDTJZLCLD-UHFFFAOYSA-N 354.382 1.834 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN([C@H](C)C(=O)NC3CC3)CC2)C1 195549640 RPOJWUZLQLMWQJ-YYIAUSFCSA-N 364.534 1.164 0 40 FDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)CN1Cc1ccco1 570305944 WGYJPAQURKCEJY-VXGBXAGGSA-N 360.370 1.123 0 40 FDAB C[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn12 48678245 CUZCMYCJHLZVRU-AWEZNQCLSA-N 374.404 1.830 0 40 FDAB Cc1ccsc1S(=O)(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 328947999 WANJYIPPNIZNJM-LBPRGKRZSA-N 368.484 1.994 0 40 FDAB O=C(NC1CCCCC1)N1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514289014 FDOFWWFPGYVCEJ-HIFRSBDPSA-N 365.455 1.452 0 40 FDAB biogenic,in-vitro CCCS(=O)(=O)N1CCO[C@@]2(CCCN(Cc3ccccn3)C2)C1 96226755 HEJKEFZPKDAHGQ-QGZVFWFLSA-N 353.488 1.488 0 40 FDAB COc1cncc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c1 585091922 JLTORGREQKOAQC-INIZCTEOSA-N 352.387 1.992 0 40 FDAB O=C(CN1CCS(=O)(=O)C[C@H]1C1CC1)Nc1cccc2nsnc12 580278330 PMXHOVLMXRLHRI-ZDUSSCGKSA-N 366.468 1.139 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(S(C)(=O)=O)C2 96055991 BJTIVDCPWUYXNE-RDJZCZTQSA-N 370.471 1.316 0 40 FDAB Cc1cccc(COC[C@H]2CCS(=O)(=O)C23CN(C2CCC2)C3)n1 247863453 HFWYVZJNAXEIJU-OAHLLOKOSA-N 350.484 1.948 0 40 FDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230216 NLDPJKAUWOWACW-ZHRONYKTSA-N 350.802 1.537 0 40 FDAB C[C@H](NC[C@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)[C@H]1O)c1ccccc1 257278234 OBKBPTYCNHAIRW-NXQUOZRTSA-N 368.441 1.042 0 40 FDAB Cc1n[nH]cc1-c1cnc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257294694 QVHQHYSMTCVHLE-GFCCVEGCSA-N 350.448 1.161 0 40 FDAB Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257281483 OPKABNIEHAITBU-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB O=C(c1cc2ccc(OC(=O)C(F)(F)F)cc2oc1=O)N1CCNCC1 616567850 MKJVKYXJQLCHMT-UHFFFAOYSA-N 370.283 1.306 0 40 FDAB CCc1nc(S(=O)(=O)NCc2nnc3ccc(C)cn23)cn1CC1CC1 622040659 DHTJFSIZZHUEKG-UHFFFAOYSA-N 374.470 1.685 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1Cc2cnn(-c3ccccc3)c2C1 647587162 RZORDTCOEIYBPX-INIZCTEOSA-N 374.466 1.529 0 40 FDAB CS(=O)(=O)[C@@H]1CN([C@@H](C(=O)O)c2ccccc2)C[C@H]1C(F)(F)F 656758708 LTSSEDVOFKSOGH-IJLUTSLNSA-N 351.346 1.720 0 40 FDAB CCN1CCO[C@@H](CNc2ccnc3c2cnn3C)[C@@H]1c1cnn(C)c1 664313957 SMKUFUMQGSUVIC-IRXDYDNUSA-N 355.446 1.576 0 40 FDAB CCO[C@@H](CN1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@H](OC)C1)C1CC1 1213143143 CQJNXCJZUWEXQL-HYVNUMGLSA-N 369.893 1.923 0 40 FDAB COC[C@]1(C(=O)O)CCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 643850498 SYJGBJCQBFXSIT-SFHVURJKSA-N 367.446 1.006 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)Nc2ccccn2)c1C 52968049 XLTGVKGBSDOUHB-UHFFFAOYSA-N 358.398 1.962 0 40 FDAB CSCC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5441113 JRPLLMMMOMBQOG-QWHCGFSZSA-N 356.451 1.614 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 5918282 MQIPMEJBPHBCOP-UHFFFAOYSA-N 364.423 1.210 0 40 FDAB Cc1ccc(-c2cc(NC(=O)COC(=O)CCCNC(N)=O)on2)cc1 12690108 KNSUSUBIRXDHKJ-UHFFFAOYSA-N 360.370 1.580 0 40 FDAB CN1CCc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2C1 15880143 YJVIEQJSMVVUIX-UHFFFAOYSA-N 351.453 1.787 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CC3)C1)C2=O 19699995 PAWDYUZHGJUFLK-HNNXBMFYSA-N 362.474 1.184 0 40 FDAB CCN(C(C)=O)[C@H]1CN(S(=O)(=O)N2CCCC2)C2(CCCCC2)C1 19703821 JRPBTPLVGKUWBA-MRXNPFEDSA-N 357.520 1.973 0 40 FDAB COc1cccc(C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)c1 19711241 FSLSLBBLBIPJFB-UHFFFAOYSA-N 355.442 1.752 0 40 FDAB Cc1cnc(CCNC(=O)C2CN(C(=O)Cc3ccc(F)cc3)C2)s1 19747520 YLDVSJQOEAUHOK-UHFFFAOYSA-N 361.442 1.950 0 40 FDAB CCCc1nnsc1C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 19749199 VIMITQFVZWCSTA-NSHDSACASA-N 360.505 1.425 0 40 FDAB CCOC(=O)N1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 19809482 COTFHGVELOLMCK-CQSZACIVSA-N 368.430 1.218 0 40 FDAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 19932971 VIBUFRNLBVXYES-HNNXBMFYSA-N 369.487 1.172 0 40 FDAB Cn1ncc2c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ncnc21 1889116594 SJLWCZUDUMVEHU-UHFFFAOYSA-N 364.400 1.837 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 3977919 XOFYZVNMUHMLCC-AGXRBINYSA-N 358.434 1.766 0 40 FDAB CN(C(=O)c1ccc2nc[nH]c2c1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 2037742889 IYXIHPBRJDENQS-KZNAEPCWSA-N 358.442 1.249 0 40 FDAB Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)cn1 2056225057 ZXYADHZIZLDBDL-IYBDPMFKSA-N 354.458 1.503 0 40 FDAB CCn1cc(CN2C[C@@H](C(=O)NCC(F)(F)F)C3(CCOCC3)C2)cn1 1615102531 PWUCMGWNBWNKPR-AWEZNQCLSA-N 374.407 1.810 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542590 PRHHRXFJSBCQSQ-HNAYVOBHSA-N 355.394 1.416 0 40 FDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)Cc1nc(C)no1)CC2 1565553561 DFBIJFZIBJCOBX-CQSZACIVSA-N 364.446 1.044 0 40 FDAB CCS(=O)(=O)c1c(C(=O)OC)c2ccccn2c1S(=O)(=O)CC 1273933 ZWUAOYQQNOCKJH-UHFFFAOYSA-N 359.425 1.313 0 40 FDAB CNc1nc(Sc2nc(C)cc(Cl)n2)nc(N2CCOCC2)n1 4744397 BCPBTLDLIZFJRD-UHFFFAOYSA-N 353.839 1.653 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 4941288 ORXLSGRUVSUVAL-HNNXBMFYSA-N 350.390 1.634 0 40 FDAB Cc1ccc(C)c(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049278 UUAYEOSLPGZRRW-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1C 13792709 MGZJGEJTKQSPEF-NSHDSACASA-N 374.484 1.986 0 40 FDAB O=C(c1ccoc1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773081 TTXVZJRJAGMYFH-UHFFFAOYSA-N 370.331 1.786 0 40 FDAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1ccccc1F)CC2 2055732583 QSJNPXCARGLUSO-NSHDSACASA-N 353.419 1.711 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2ncccn2)CC1 43941461 QSYQAERIUZSOJQ-UHFFFAOYSA-N 371.485 1.816 0 40 FDAB COc1ccc(/C=C/C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC 585332209 MFLBKQGLJUOJLR-GQCTYLIASA-N 373.409 1.260 0 40 FDAB O=C1CCC(=O)N1CCn1nnc(-c2ccc(Br)cc2)n1 23105577 FWLZFSDQNGFBMR-UHFFFAOYSA-N 350.176 1.252 0 40 FDAB CSCc1ccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)o1 40153293 KFVBUOWGLMZCPC-BETUJISGSA-N 362.517 1.671 0 40 FDAB O=C(C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCC1 20722365 FFLBWIHZEVAXIG-UHFFFAOYSA-N 354.410 1.075 0 40 FDAB CC(C)[C@@H](C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946600 WGBHNIABFAYBID-SNVBAGLBSA-N 370.500 1.474 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)CCc2c(C)noc2C)CC1 32925067 RCOHMWQMOGRKDM-UHFFFAOYSA-N 357.476 1.544 0 40 FDAB CS(=O)(=O)N1CCCc2cc(C3=NN=C(NC4CC4)SC3)ccc21 8943869 YRWCTRHSUPMSPG-UHFFFAOYSA-N 364.496 1.958 0 40 FDAB CCOC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c[nH]1 78967432 HPQSRAVSKFZTHO-UHFFFAOYSA-N 352.368 1.779 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C2)n1 54122097 QZVHVMJBAVIRLW-LBPRGKRZSA-N 364.352 1.792 0 40 FDAB O=C(NCc1ccccc1Br)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4750236 HXAFKQFUZSHYEW-XQHKEYJVSA-N 354.200 1.944 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCOC(C)C)cc1 6159879 ZCFKSHUCWCEXSG-CYBMUJFWSA-N 358.460 1.293 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 6823864 XBJPWUIUZSUXFV-UDVXPWBQSA-N 363.753 1.234 0 40 FDAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 7940160 ALLGVDJCSHUHDI-GFCCVEGCSA-N 373.365 1.526 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1=O 43282323 VJBYFRDKVCZCBC-HIFRSBDPSA-N 370.409 1.815 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCc2cccnc2)c1 25126608 JMKPMYODCZUZTM-UHFFFAOYSA-N 361.467 1.726 0 40 FDAB CCOc1ncccc1NC(=O)N(C)C[C@H](O)COCCOC(C)C 58018145 VVVZISMITSAPHA-AWEZNQCLSA-N 355.435 1.747 0 40 FDAB CC(C)N(C[C@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C 109042854 FVRRPTPLNZVXQS-KGLIPLIRSA-N 370.494 1.927 0 40 FDAB CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)O 2122926 LLHQMLKRKYAEQT-GFCCVEGCSA-N 363.366 1.641 0 40 FDAB biogenic Cn1nc(C(=O)OCC(=O)NC2CCCCCC2)c2ccccc2c1=O 3309288 RYCLRGJFSGKMKW-UHFFFAOYSA-N 357.410 1.929 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](O)C(Cl)(Cl)Cl)cc1 57291959 OYZSBBVQRNGYQS-NSHDSACASA-N 374.673 1.964 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)CC(C)(C)OC3 2439794 GIYVMEOIERNFMJ-UHFFFAOYSA-N 361.427 1.221 0 40 FDAB O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1ccc2c(c1)OCCO2 95431110 LVFMNJVISBBYBT-OAHLLOKOSA-N 355.412 1.422 0 40 FDAB O=C(NCCCN1CCCCCC1=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 46024182 KAJNHDAOCGPHRE-MRXNPFEDSA-N 372.469 1.339 0 40 FDAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 11997303 YBAIZKRLQBAXSV-INIZCTEOSA-N 373.434 1.577 0 40 FDAB COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1OC 3586509 QZWWVLQQWSPNNI-UHFFFAOYSA-N 361.398 1.755 0 40 FDAB COc1ccc(NC(=O)[C@H](NC(=O)CNC(C)=O)c2ccccc2)cc1 3615080 SZGGUJIUQREAAI-GOSISDBHSA-N 355.394 1.627 0 40 FDAB biogenic Cc1ccccc1NC(=O)CSc1nnc(-c2[nH]nc3c2CCC3)n1N 9088331 KDNSSDBKLDRRFU-UHFFFAOYSA-N 369.454 1.910 0 40 FDAB CCCOc1ncccc1CNC(=O)CNC(=O)Cc1cccc(F)c1 63719038 FMZNTZWHICFPGS-UHFFFAOYSA-N 359.401 1.985 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(C)n2C)c(C)c1 9112937 NQUGWSWHJRTBRD-UHFFFAOYSA-N 361.471 1.896 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4269892 GDGFRDSVSUXHNL-COPLHBTASA-N 362.373 1.944 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1 96006989 ALSUULAGVLGWPL-HOCLYGCPSA-N 357.454 1.803 0 40 FDAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCC(N)=O)cc3)C2=O)c1 409246734 DADKTIDZPZQIQR-LICLKQGHSA-N 365.389 1.952 0 40 FDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 14245578 CNEZDPBXPDISIL-UHFFFAOYSA-N 354.453 1.762 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3ccccc3C(N)=O)ccc21 15245249 NKPPHVCICMTESY-UHFFFAOYSA-N 373.434 1.520 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2NC1=O 8014210 KBGCKCSSJZHVNT-SNVBAGLBSA-N 365.345 1.641 0 40 FDAB NC(=O)[C@H]1CCCN1c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 8135133 WHOIZWFJOCXNAE-LLVKDONJSA-N 358.789 1.216 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 8191755 ZRCVJNUCGUGHMZ-UHFFFAOYSA-N 372.425 1.816 0 40 FDAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 85431267 AITSLWIMFFHSMY-GFCCVEGCSA-N 353.831 1.657 0 40 FDAB CC[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)cc1 25515317 OYSZYLYGCFWNIC-YCABEKBOSA-N 357.410 1.373 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 32901102 PDRNWDXNQYCLOC-UHFFFAOYSA-N 367.471 1.389 0 40 FDAB C[C@H](CNS(=O)(=O)c1cnn(C(F)F)c1)Cn1cc(Cl)cn1 36615108 NIZYFEXAYZCDFV-MRVPVSSYSA-N 353.782 1.743 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1cccc(Cl)c1)C2)N1CCCC1 1547200917 BHGKTLVZUXHEFX-UHFFFAOYSA-N 361.789 1.309 0 40 FDAB CCN1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3C)NC(=O)N2)CC1 39315099 KLZCTCFTBYRTDV-SFHVURJKSA-N 372.469 1.414 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCCO 217637600 HAUKNUDPNAVFLD-UHFFFAOYSA-N 350.396 1.980 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@@H]1c1ccc(Cl)cc1 72241379 GFLNBZKLIGUOBE-IRXDYDNUSA-N 359.813 1.950 0 40 FDAB CCOC(=O)[C@@H](CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC=O 38601526 KFHAYIBPFYQHFZ-GFCCVEGCSA-N 359.419 1.354 0 40 FDAB in-vitro COc1ccc(S[C@H](C)C(=O)NCCCN2CCN(C)CC2)cc1 44843774 NBWAKHXMSAGUJG-OAHLLOKOSA-N 351.516 1.930 0 40 FDAB O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cc2n(n1)CCC2 574957412 KAWFALCXLRRAKK-AWEZNQCLSA-N 366.400 1.972 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 75155912 KOHNDQSQIMWBLK-INIZCTEOSA-N 368.480 1.636 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)CNC(=O)c1ccccc1 224301297 MWLHIVIMBAFONB-UHFFFAOYSA-N 369.425 1.299 0 40 FDAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1cccc(Cl)c1 224174797 WFDULTNOXOGHGH-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB CC(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)ccc1C 193991981 RJFSIQCWWZCVCJ-UHFFFAOYSA-N 367.405 1.484 0 40 FDAB CC(C)Cc1n[nH]c(NC(=O)CCCn2nnc3ccccc3c2=O)n1 95473378 LGORONLXEZGXPT-UHFFFAOYSA-N 355.402 1.527 0 40 FDAB CNC(=O)N1CC[C@@H]2CN(Cc3cccc(OC)c3)S(=O)(=O)[C@@H]2CC1 96145384 JYUAWUJEEAWBSH-GDBMZVCRSA-N 367.471 1.261 0 40 FDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(Cc4ccco4)C[C@H]3O2)cn1 96042810 LIDMJOZYYGDEOC-BMGDILEWSA-N 356.426 1.674 0 40 FDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)NCc3ccccc3)C1)COC2 96243999 JUGFOUVJZIQEQN-FQEVSTJZSA-N 367.453 1.926 0 40 FDAB Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cnn(C)c2)O1 96065370 FPOYFTVIUZTENH-KURKYZTESA-N 355.442 1.884 0 40 FDAB Cn1cc(CN2CCC[C@@]3(COCCN(Cc4ccccn4)C3)C2)cn1 96229310 DHZNZGVRVUVBTL-HXUWFJFHSA-N 355.486 1.930 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccc(F)cc21 245806996 QDLYFPLWXFMRKI-HOCLYGCPSA-N 354.447 1.438 0 40 FDAB Cc1ccccc1CC(=O)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 248138444 DSRGAXJPRKKFPX-GOSISDBHSA-N 358.482 1.877 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cn(C)nc2C)CC1 257263108 LOKOWYPZHGPVKR-UHFFFAOYSA-N 356.430 1.174 0 40 FDAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)cc(N(C)C)n1 257294606 QUWCVMCPNUHCMM-HNNXBMFYSA-N 351.414 1.871 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3coc(C)n3)CC2)cn1 257258828 KVSLVKFOCZIYPD-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)CC1 257284925 PEWUVIYRSKNSES-MRXNPFEDSA-N 355.442 1.922 0 40 FDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCN(c2ncccn2)CC1 252488803 IZHIJXUSEZDEDY-HNNXBMFYSA-N 355.398 1.002 0 40 FDAB CN(C(=O)NCc1cn2ccsc2n1)[C@H]1CCCN(c2cccnn2)C1 265608175 ZCNPVXXCQWSOTB-AWEZNQCLSA-N 371.470 1.996 0 40 FDAB Cc1nsc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 266425379 PQLVGZAANRIBGE-UHFFFAOYSA-N 369.472 1.612 0 40 FDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@@]1(C2CCCC2)CCNC1=O 626716162 YXOIHVQAYHGPLC-BFUOFWGJSA-N 360.458 1.949 0 40 FDAB CN(C1CCNCC1)S(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1 631920250 VNFYPFMYJRPAOX-UHFFFAOYSA-N 371.478 1.598 0 40 FDAB O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 673351554 ZMDKZCXIEGFULG-CQSZACIVSA-N 356.382 1.114 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)CCCc2ccccn2)CC1 681942354 XTCYHHQFVNTIFT-QGZVFWFLSA-N 361.442 1.719 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1ccccn1 390828165 PGLCPVVOMYDFFX-UHFFFAOYSA-N 367.394 1.882 0 40 FDAB Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)n1 585097463 LYMBCMKSSOHSLD-QGZVFWFLSA-N 356.474 1.446 0 40 FDAB O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585278239 OFYAIXHDFAJBHO-IBGZPJMESA-N 352.394 1.404 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCn3ccc(C)n3)CCO2)cc1 585277061 JPHOZVOZBNEZOB-HXUWFJFHSA-N 357.454 1.723 0 40 FDAB C[C@H]1NC(C(=O)Nc2nc3c(s2)CCC3)=NN(c2ccccc2)C1=O 56218514 FCJNUABFKZWKMB-SNVBAGLBSA-N 355.423 1.909 0 40 FDAB O=C(Cc1ccccc1)Nc1cc(NCC(=O)N2CCNC2=O)ccc1F 55874718 QTDCFAMNQMACSW-UHFFFAOYSA-N 370.384 1.971 0 40 FDAB COCCn1nc(C)c(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1C 84013900 QTGOIBQMVWAWPI-HNNXBMFYSA-N 356.426 1.889 0 40 FDAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 1772596136 KPVKIWWXIGVTSJ-UHFFFAOYSA-N 369.425 1.179 0 40 FDAB CC(C)n1nccc1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 5416608 SRGUXJWTTVMMFQ-UHFFFAOYSA-N 369.381 1.506 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 5543768 GOQAODGEMIJTDA-JCKWVBRZSA-N 362.382 1.448 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12143279 OPDJTYSSXUAGJE-HNAYVOBHSA-N 363.417 1.843 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C3CCNCC3)C2)C1 12219455 WMRLDYLHYRNDJN-NRFANRHFSA-N 371.481 1.788 0 40 FDAB Cc1ccnn1[C@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19238259 HKCJPFYMSQKPIN-HZPDHXFCSA-N 368.485 1.937 0 40 FDAB COCC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19291551 CALBKZPMQJFKED-UHFFFAOYSA-N 357.389 1.852 0 40 FDAB COc1ccccc1C(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21 19568993 DWBNMSDHCBKZGL-ZDUSSCGKSA-N 366.425 1.342 0 40 FDAB CC(=O)Oc1ccc(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)cc1 19819824 KQYZXLZFFJKBCW-UHFFFAOYSA-N 366.377 1.747 0 40 FDAB COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O 154207229 WFIUAGOQGGAREU-APARVZKSSA-N 364.394 1.824 0 40 FDAB biogenic,in-vitro O=C(NCCCN1CCCC1=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193769 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GDTIDGOIVLIRBA-UHFFFAOYSA-N 355.423 1.536 0 40 FDAB CCc1ccc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)cn1 1565554837 GSWXDFSGMSXNFA-YLJYHZDGSA-N 373.497 1.986 0 40 FDAB Cn1c(C(=O)N2C[C@H]3c4nc(N5CCCC5)ncc4C[C@H]3C2)cccc1=O 1565554721 DYAHDHUQDLRQTR-LSDHHAIUSA-N 365.437 1.187 0 40 FDAB c1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(N2CCOCC2)n1 2086884534 HDIJNNHGUFRHGG-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1N1CCN(C(C)=O)CC1 9827937 QKSQPBZIHQVPNF-UHFFFAOYSA-N 370.409 1.078 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(-n3cccn3)nc2)c1 40040368 BHERUHMOACDIMP-UHFFFAOYSA-N 372.406 1.532 0 40 FDAB COC(=O)c1ccc(CCNC(=O)c2ccccc2S(C)(=O)=O)cc1 40040557 NJUKRIACASLTJO-UHFFFAOYSA-N 361.419 1.849 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)Cc2cn3ccccc3n2)cc1 30225203 XGIMMYXPFYIKEC-UHFFFAOYSA-N 358.423 1.814 0 40 FDAB O=C(CCc1ccccc1)N1CCC(Nc2ccc3nnnn3n2)CC1 40153734 ITDXWCUZZCDCGU-UHFFFAOYSA-N 351.414 1.555 0 40 FDAB CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)N(C)C(=O)N(C)C1=O 20330040 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CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1 783797 KXCMVJPNGMCIEO-HXUWFJFHSA-N 352.390 1.542 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)c1C 22790066 DXAHBWLVLTVLSQ-CQSZACIVSA-N 374.485 1.302 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(C)c1 79485497 UESCESZHMVJYGY-AWEZNQCLSA-N 356.430 1.279 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)cc1 2711176 BDDAAVAZLBMWJK-SNVBAGLBSA-N 350.396 1.292 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 4108473 MVVRECSWYQVSNV-ZJOBFFGXSA-N 354.786 1.726 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl 6950172 MQSPWXWPRXCAGL-UHFFFAOYSA-N 370.814 1.765 0 40 FDAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 6954748 NJMJZEPYIXOTAU-IZZDOVSWSA-N 368.773 1.813 0 40 FDAB O=C(CN1CCN(C(=O)CSc2ccc(F)cc2)CC1)NC1CC1 23929700 SJFSEHDFTZBGCG-UHFFFAOYSA-N 351.447 1.341 0 40 FDAB CNC(=O)[C@H]1CCCN1CC(=O)NC1(c2noc(C)n2)CCCCCC1 55019554 DLYWGEAJMUMVFB-CQSZACIVSA-N 363.462 1.254 0 40 FDAB NC(=O)[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccccc1 84519330 FPEGPPZDSKMIJB-GOSISDBHSA-N 353.378 1.145 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)NCc1ccc(F)cc1 24728348 BAXNFQMGOIWIMA-AWEZNQCLSA-N 353.394 1.329 0 40 FDAB C[C@H]1C[C@@H](C)CN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12 25185286 JSTMVLHPSFGDCC-CWPXVGEBSA-N 359.401 1.927 0 40 FDAB COc1ccccc1OCC(=O)NCCn1cc(Br)cn1 28243044 JWVCYEZPZLAOLU-UHFFFAOYSA-N 354.204 1.849 0 40 FDAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 57019750 RBCMDBAMKCYAFQ-MRXNPFEDSA-N 366.464 1.608 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 58181003 COTVIMQZRFOFNO-UHFFFAOYSA-N 373.409 1.127 0 40 FDAB COCCNC(=O)[C@H](C)S(=O)(=O)Cc1cccc(Br)c1 58167133 HCKIWZKLZWZOEY-JTQLQIEISA-N 364.261 1.515 0 40 FDAB CCc1c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cnn1-c1ccc(C)cc1 95407676 DOVGQNCDCDKGKT-INIZCTEOSA-N 367.409 1.119 0 40 FDAB CC(C)(C)C(=O)NCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 22973092 YMVOJPHFOAAJLV-UHFFFAOYSA-N 353.444 1.327 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 102351750 KWQHSPZZIPROAQ-XUXIUFHCSA-N 358.329 1.058 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nncn2-c2ccc(C)cc2C)CC1 23238847 YERJCTJUPYKQQP-UHFFFAOYSA-N 373.482 1.667 0 40 FDAB CCc1ccc(CCC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)cc1 95464485 SMKCUWYFBQHJRW-KRWDZBQOSA-N 360.454 1.963 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 102613179 YUERGOBAXHUBMQ-XZFSWKSHSA-N 366.417 1.907 0 40 FDAB O=C1COc2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc2N1 11130116 MMNJSTGATWSGSK-UHFFFAOYSA-N 368.393 1.179 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)NCCCOC2CCCCC2)cc1 10083720 MCYRIZWNSHPONU-UHFFFAOYSA-N 369.487 1.873 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 60093183 YPBXAKOBKXVFCE-AWEZNQCLSA-N 367.877 1.778 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 2637301 HRRBHIMJGBJCTK-OAHLLOKOSA-N 351.362 1.437 0 40 FDAB CCSc1nnc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)s1 2726377 XWTBMORFMBHOHO-UHFFFAOYSA-N 363.424 1.292 0 40 FDAB NC(=O)[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 12818131 YJYRBSGTJFPCAE-CYBMUJFWSA-N 353.300 1.979 0 40 FDAB CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 3516700 QQZWHKXRGRDUBZ-IBGZPJMESA-N 368.393 1.453 0 40 FDAB COC(=O)c1ccc(CSC(=S)N[C@H]2CCS(=O)(=O)C2)cc1 4294125 AISGUKMKDYJASN-LBPRGKRZSA-N 359.494 1.768 0 40 FDAB C[C@H](C(=O)Nc1nnc([C@@H]2CCCO2)s1)n1nnc2ccccc2c1=O 71333692 KWQNUAZNAWUFEK-SKDRFNHKSA-N 372.410 1.694 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)NC(=O)NCc3cccs3)n2)cc1 13985548 BSHCYGGJOMTDKB-UHFFFAOYSA-N 356.411 1.736 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2=O)cc1 5266693 PXDPZINNZXGRGL-UONOGXRCSA-N 373.453 1.612 0 40 FDAB Cc1ccsc1[C@H]1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 4496039 IKOMDKCIFGYZDX-LBPRGKRZSA-N 373.434 1.931 0 40 FDAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 14181417 CBOABKMIWQGVGC-GWCFXTLKSA-N 351.407 1.577 0 40 FDAB COC(=O)C[C@H]1NC(=O)N(CN(C)Cc2nc3ccccc3s2)C1=O 14159052 DVRZDHRMHKDAID-LLVKDONJSA-N 362.411 1.169 0 40 FDAB COc1cc([C@H](CC(=O)O)NC(=O)c2ccccc2)ccc1OCC(N)=O 4581220 ZAEBZYUWWUPBFR-AWEZNQCLSA-N 372.377 1.505 0 40 FDAB CSc1ccccc1-n1nnn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S 4602568 DKXQUPIJTAYYRT-CDMKHQONSA-N 350.425 1.776 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)C[S@@](C)=O)n2)cc1 96010499 NHDDJXAREPVOOO-JNDILOIQSA-N 351.428 1.561 0 40 FDAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 6661729 GRKSLCNKFRHCED-UHFFFAOYSA-N 368.484 1.617 0 40 FDAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C(F)(F)F 6790521 YIYZNXDGPQELEA-UHFFFAOYSA-N 365.362 1.725 0 40 FDAB COc1ccc(NC(=O)[C@@H](C)SCc2nc(N)nc(N)n2)cc1OC 9335573 DTZAPVHSMDSTKI-MRVPVSSYSA-N 364.431 1.314 0 40 FDAB C[C@@H](C(=O)Nc1cccc(Cl)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829727 OUFRCFSCOMOJES-VIFPVBQESA-N 361.789 1.287 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5850490 HXTSOTCBKQPZRP-XJKSGUPXSA-N 362.426 1.663 0 40 FDAB COc1cc2c(cc1NS(C)(=O)=O)c(C(C)=O)c(C)n2S(C)(=O)=O 4945001 ZPAWQPGVGHGBCL-UHFFFAOYSA-N 374.440 1.340 0 40 FDAB Cc1nn(C)c(C)c1[C@H]1NC(N)=Nc2nc3cc4c(cc3n21)OCCCO4 9477605 BUGWQSUQPCYIOR-INIZCTEOSA-N 367.413 1.644 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1N1CCOCC1)CS2 15940789 GUEIKJJLAYENJI-YJBOKZPZSA-N 361.467 1.916 0 40 FDAB O=C1C[C@@H](C(=O)N2CCCC[C@H]2C2OCCO2)CN1c1ccccc1F 69257217 VSQXHQGAGUQRAZ-CJNGLKHVSA-N 362.401 1.933 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1OC 17304235 KQYLTQUKZFGTJA-UHFFFAOYSA-N 354.366 1.949 0 40 FDAB Cc1c([C@H]2CCCN2Cc2cnc(N3CCN(C)CC3)nc2)cnn1C 91967551 PBCOLZLKSZCFMU-GOSISDBHSA-N 355.490 1.607 0 40 FDAB CC(C)C[C@H](C)OCCC(=O)NCCCn1nc2n(c1=O)CCCC2 87133381 WRJQTTCPKVBDDG-HNNXBMFYSA-N 352.479 1.729 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 72293178 KYTRUHXZHSGWQS-OAHLLOKOSA-N 368.566 1.706 0 40 FDAB CCOC(=O)[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H](C)CC 72303255 KEABPPFVDHDKFM-GXFFZTMASA-N 362.348 1.961 0 40 FDAB O=S(=O)(c1cncc(F)c1)N1CCn2c(nnc2C(F)(F)F)C1 95960799 NKWDWVBHJFDMKY-UHFFFAOYSA-N 351.285 1.036 0 40 FDAB Cc1noc(C)c1CNC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 95996869 LDNIJRWCOOQYHW-UHFFFAOYSA-N 367.475 1.574 0 40 FDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 26533345 JCEKTDUGJYIOKN-INIZCTEOSA-N 365.430 1.159 0 40 FDAB COc1ccccc1CN1C[C@H]2Cn3c(nnc3C(=O)NC3CC3)C[C@H]2C1 306143410 YBSWLJWQEAOYSS-GJZGRUSLSA-N 367.453 1.483 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc(C(F)(F)F)n1 225734441 JFCJVJUREDKERA-UHFFFAOYSA-N 367.331 1.455 0 40 FDAB O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cccc(OC2CCCC2)c1 572092054 IRICJWJQGHRNIU-QGZVFWFLSA-N 353.440 1.287 0 40 FDAB Cc1nc(-c2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cs1 49029234 SJNCTDPWXZWNJO-UHFFFAOYSA-N 371.444 1.112 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 46896956 RBQABDKPMUUKDD-UHFFFAOYSA-N 359.386 1.365 0 40 FDAB Cn1cccc1C(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158801 CVFNQPNAJZQSLB-UHFFFAOYSA-N 354.454 1.927 0 40 FDAB COCCNC(=O)[C@@H]1CCC2(CCN(Cc3c(C)noc3C)CC2)O1 96109927 LBQMDJLPGOKBFW-INIZCTEOSA-N 351.447 1.568 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCNC1=O 50392918 VPHKOGAZHAZYEP-SECBINFHSA-N 363.233 1.015 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc2cnccc12 583306187 ZDFASOLYMUNBOW-SMDDNHRTSA-N 350.396 1.393 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 96039782 JRJYNOTWOWAXNW-YOEHRIQHSA-N 352.410 1.096 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nnc([C@@H]2CCCO2)s1 95476575 LHSKLKYMWDYBDD-LBPRGKRZSA-N 357.399 1.547 0 40 FDAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 247944678 JKLXOWBZSYMQSS-AWEZNQCLSA-N 357.501 1.273 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1 247291091 AYXUHYHKTQHLAQ-AWEZNQCLSA-N 366.512 1.973 0 40 FDAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc3nnnn3n2)CC1 25978143 ZLHSGKCBBBQEKN-UHFFFAOYSA-N 374.408 1.923 0 40 FDAB Cc1ccc(C(=O)NCc2nccnc2C2CCN(C)CC2)c(=O)n1C 257203470 AQEUJRILZTYAQV-UHFFFAOYSA-N 355.442 1.223 0 40 FDAB Cc1nc(C[C@H]2CCCN(C(=O)c3cccnc3)C2)cc(C(=O)N(C)C)n1 257263362 LPMZKMNOPBQJCK-OAHLLOKOSA-N 367.453 1.977 0 40 FDAB CC(C)c1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)[nH]n1 257307768 TUASIZUESNGSIF-SFHVURJKSA-N 350.463 1.223 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3ccc4ncn(C)c4n3)CC2)n1 1639128010 YDGMGIDDQBGVGV-UHFFFAOYSA-N 367.413 1.171 0 40 FDAB O=C(CN1CCCCC1=O)N[C@H](C(=O)O)c1ccccc1Br 630208267 SAPIHERSHFLWQT-AWEZNQCLSA-N 369.215 1.704 0 40 FDAB N[C@H](c1cn(C[C@@H](O)COc2ccccc2Cl)nn1)[C@@H]1CCCO1 641204516 FYDGVAYLRKREQL-XFBWCDHKSA-N 352.822 1.550 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1=O 643872554 CRELNXMQIOMFOM-QGZVFWFLSA-N 373.453 1.347 0 40 FDAB O=C1CCN(c2ccccc2C(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 55244369 SLZUDEXUEQTZLF-OAHLLOKOSA-N 367.405 1.466 0 40 FDAB Cc1n[nH]cc1CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 671133347 FEAKIWYMZVFTGN-KRWDZBQOSA-N 355.442 1.067 0 40 FDAB CCc1nc(C)cc(N2CC[C@@]3(NC(=O)[C@@H]4[C@H]5COC[C@H]54)CCC[C@@H]23)n1 1775986951 LWBLZMDJEAZEEY-RWMTYIHXSA-N 356.470 1.857 0 40 FDAB Cc1ccc(CN[C@H]2COC[C@H]2Oc2cnn(-c3ccccc3)c2)nn1 1775956893 YZFRBTQHAJTPQN-RBUKOAKNSA-N 351.410 1.907 0 40 FDAB O=C1CC[C@@H](C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)N1 96096377 QVHOVEKLKLCZSY-NSHDSACASA-N 360.395 1.152 0 40 FDAB Cn1ccc(CC(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 585100903 CFHXPNQVGKDZHG-LJQANCHMSA-N 353.426 1.403 0 40 FDAB COc1ccc(C2(CNC(=O)CCn3ccc(=O)[nH]c3=O)CCCC2)cc1 49521475 KVNYSPDQVRMOKA-UHFFFAOYSA-N 371.437 1.564 0 40 FDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)c1ccno1 1775964170 VKXZWYNGUFRFMO-ZDUSSCGKSA-N 367.365 1.851 0 40 FDAB biogenic,in-vitro CC[C@@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(=O)O 95970170 CULJVBIKMHZMDS-IUODEOHRSA-N 370.471 1.945 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)N(C)C1=S 8091415 DUYCFTPRILUHRP-XFFZJAGNSA-N 354.815 1.921 0 40 FDAB CCCCC(=O)N1CCN(c2ccc(N3CCN(CC)CC3)nn2)CC1 12276905 IDPWFQRYZSQLFF-UHFFFAOYSA-N 360.506 1.457 0 40 FDAB COc1ccc(CCC(=O)N2CCN(c3ccc(OC)nn3)CC2)cc1 12444095 SLCZVRXCPORMSJ-UHFFFAOYSA-N 356.426 1.775 0 40 FDAB O=C(c1ccc(F)cc1)N1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 12471542 DKCUMJHLOLKDKV-CYBMUJFWSA-N 367.388 1.822 0 40 FDAB O=C(NCc1ccncc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 13549380 CWIOKHNNHFMSIW-LBPRGKRZSA-N 371.832 1.934 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccncc2)cc1N(C)S(C)(=O)=O 13566945 ONGGRGZKHIDWOI-UHFFFAOYSA-N 371.440 1.287 0 40 FDAB Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1F 13700303 ZVNKEJHROPQUSH-UHFFFAOYSA-N 355.377 1.926 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NNc1nc(C)cc(C)n1 16099515 DPRJLVQAQADTIV-UHFFFAOYSA-N 352.372 1.106 0 40 FDAB O=C(c1cnccn1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19403693 ASSNTLNSRVXALY-UHFFFAOYSA-N 368.422 1.703 0 40 FDAB COc1cc(CCC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)on1 19550450 AQVCDOXBTXSTNX-INIZCTEOSA-N 371.441 1.805 0 40 FDAB C[C@@H](NC(=O)CCNc1ncnc2[nH]cnc12)c1ccc2c(c1)OCCO2 19655429 DVXUVSDOOFOMNI-LLVKDONJSA-N 368.397 1.804 0 40 FDAB O=C(CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)N1CCOCC1 19748462 UWPCAHJCDODSQJ-UHFFFAOYSA-N 373.501 1.538 0 40 FDAB O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc2nsnc12 36398025 LFRQPOUIZJQTJI-NSHDSACASA-N 365.440 1.868 0 40 FDAB O=C(NCc1cnn(-c2ccccc2)c1)c1cnc2sccn2c1=O 11582146 IQYAHRVIYMXYLD-UHFFFAOYSA-N 351.391 1.872 0 40 FDAB O=S1(=O)N=C(N2CCN(c3ccc4nccn4n3)CC2)c2ccccc21 1888913498 LDGQWMSGQQOUMT-UHFFFAOYSA-N 368.422 1.000 0 40 FDAB c1cnn(-c2ccc(N3CCN(c4nnc(C5CC5)s4)CC3)nn2)c1 1888947723 VDXJDNMCZMFNRG-UHFFFAOYSA-N 354.443 1.718 0 40 FDAB O=C(COCc1ccccc1)NCCN1Cc2cc(F)ccc2OCC1=O 238861964 KWGNAVDTXLFTFR-UHFFFAOYSA-N 372.396 1.880 0 40 FDAB CCNC(=O)c1cc2c(CNC(=O)CCc3ccc[nH]3)nn(C)c2s1 1565554829 GRJSEGWIUXGLHI-UHFFFAOYSA-N 359.455 1.962 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1ncc(Cl)cn1)CC2 1565550321 YVROVOLDHMRDMM-UHFFFAOYSA-N 360.801 1.861 0 40 FDAB CNC(=O)c1ccsc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 10252793 ZJQGRPWVKWXDRM-UHFFFAOYSA-N 352.437 1.692 0 40 FDAB O=S(=O)(N[C@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1)C1CC1 2086865168 RCTHTBHGAZVLTD-ZDUSSCGKSA-N 370.475 1.010 0 40 FDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 40092670 JAJAZFMOWSMKII-CYBMUJFWSA-N 373.482 1.797 0 40 FDAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)NCCCN1CCOCC1 20589649 QEMZUJIVNLTIOD-UHFFFAOYSA-N 367.833 1.477 0 40 FDAB Cc1cc(CN(C)C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)no1 52606797 SKAFWXVDWBVVDY-UHFFFAOYSA-N 354.366 1.213 0 40 FDAB NC(=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCOCC1 47047880 IUQHCWOLCBBVOK-UHFFFAOYSA-N 359.470 1.933 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccn1 47012821 NEKFZVLMBAWNDB-KBXCAEBGSA-N 371.466 1.646 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)CC1 79487106 DDMXCNPMWUPHNA-ZDUSSCGKSA-N 351.838 1.037 0 40 FDAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)NC(=O)Nc1ccccc1F 22876296 GUWXPSNFKJRKGA-CQSZACIVSA-N 364.421 1.270 0 40 FDAB C[C@H](c1nc2ccccc2s1)N1CCN(CC(=O)N2CCOCC2)CC1 22806645 CDLDGLGJDZPDIS-OAHLLOKOSA-N 374.510 1.834 0 40 FDAB COCCNC(=S)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 4131477 ZLIBQFRGCKRKAH-UHFFFAOYSA-N 363.483 1.542 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 23387920 NFQYDZWRXUSOIU-QWRGUYRKSA-N 369.343 1.927 0 40 FDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc2c(c1)OCO2 6784605 HLUMIGYIJVYUJL-UHFFFAOYSA-N 365.392 1.594 0 40 FDAB COC(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCCC(C)C)cc1 7980763 JECGGOMYQKLMCQ-UHFFFAOYSA-N 350.371 1.502 0 40 FDAB COc1ccc([C@@H](CNC(=O)N2CCNC(=O)CC2)N2CCCCC2)cc1 105077971 HQEQBRNJFTYOPC-GOSISDBHSA-N 374.485 1.754 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)s1 55245673 RQDJFYHQVFXDEF-NSHDSACASA-N 352.503 1.006 0 40 FDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 107712511 CIIBYKVIKPVFJN-SJORKVTESA-N 354.472 1.819 0 40 FDAB Cn1c(=O)n(CC(=O)NCc2ccccc2-n2ccnc2)c2ccccc21 55696345 UETDTORJUABRMA-UHFFFAOYSA-N 361.405 1.842 0 40 FDAB CN(C)S(=O)(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 57743092 FWCWOHKKSYIQKK-UHFFFAOYSA-N 354.453 1.630 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)Cn3c(=O)n(C)c4ccccc43)ccc21 58193395 YTZLJZIUTKJTCO-UHFFFAOYSA-N 365.393 1.169 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)NCC1(c2ccccc2OC)CCOCC1 58160105 NGKBUTCFVSRIJA-CQSZACIVSA-N 363.458 1.567 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)c3cnc(C)cn3)[C@H](C)C2)cc1 58244587 DOAAMKSUAYZVLW-CQSZACIVSA-N 354.410 1.923 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 10752929 UAZNLRWOVBBPAD-OAHLLOKOSA-N 352.437 1.300 0 40 FDAB COC(=O)[C@]1(CC(=O)N(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186618 VWFDYJRCOOVJST-QINHECLXSA-N 358.438 1.630 0 40 FDAB Cc1cc(=O)n2nc(NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)sc2n1 48310856 ZEYMFWJAMLZCQO-TXEJJXNPSA-N 351.476 1.759 0 40 FDAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCn2c(=O)oc3ccccc32)on1 11010201 YTXVVBOHOXUOLM-NSHDSACASA-N 359.338 1.851 0 40 FDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2ccccc2n1 46051445 MYPUZJGWVXRPDO-VQIMIIECSA-N 355.438 1.702 0 40 FDAB O=C(CSc1ccc2c(c1)OCCO2)NCCN1C(=O)CSC1=O 2652957 XZAQOUBIOPMXFH-UHFFFAOYSA-N 368.436 1.362 0 40 FDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C[C@@H](O)c2ccco2)CC1 27197644 PMXGOKFZMAOZJR-KDOFPFPSSA-N 358.394 1.297 0 40 FDAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(C)=O)cc2)c2ccccc2O1 12932473 SJAJNXXIZDKQJV-KRWDZBQOSA-N 374.418 1.592 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 13355683 LWPBKIAVNWAONT-UHFFFAOYSA-N 363.805 1.835 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCCN3C(=O)c4ccccc4C3=O)nc2n1 5021403 RLPPIWHVDICPBP-UHFFFAOYSA-N 365.349 1.194 0 40 FDAB C[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)C1 14118024 KKTYLIIBALMZIP-AWEZNQCLSA-N 351.410 1.841 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(N)(=O)=O 6510478 NMFUWIZHHUQOEW-UHFFFAOYSA-N 356.425 1.452 0 40 FDAB CC(C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797201 CESVEUZPBMPXKL-STQMWFEESA-N 351.877 1.277 0 40 FDAB Cc1cc(C)cc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1 7439979 CVRXIVDDVJSTLC-UHFFFAOYSA-N 350.396 1.272 0 40 FDAB CC(C)CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 7778209 SSDJVRAJULZPHH-YVEFUNNKSA-N 352.435 1.359 0 40 FDAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(c2ccccn2)CC1 7856044 YEFUBRZBKVNBJY-GOSISDBHSA-N 353.470 1.906 0 40 FDAB CC[C@@H](C)n1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)[nH]c1=O 16611283 KKMQIOYPICZRAF-HWPZZCPQSA-N 354.410 1.930 0 40 FDAB biogenic Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 24041528 VKEUNAIUODELEN-UHFFFAOYSA-N 370.408 1.141 0 40 FDAB CCn1c(SCC(=O)NC(=O)Nc2ccc(OC)cc2)n[nH]c1=O 9500113 UQAHYBOQHBBICB-UHFFFAOYSA-N 351.388 1.040 0 40 FDAB Cc1noc(N)c1C(=O)OCC(=O)NCCc1ccccc1OC(F)F 9949543 VNFWMCDRVCSPDJ-UHFFFAOYSA-N 369.324 1.682 0 40 FDAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1nc2ncccn2n1 36618797 MWLAIAMYNIEOLT-VIFPVBQESA-N 367.335 1.714 0 40 FDAB Cc1cc(-c2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)no1 1501040493 UKADDQXZWCAGNX-VIFPVBQESA-N 368.444 1.288 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCc2ccc4c(c2)CCCO4)[C@@H]3C1=O 36748698 IGZBOWFVSHHOBF-BMQTXXJKSA-N 368.433 1.430 0 40 FDAB COC(=O)c1nc(NC(=O)CCn2cnnn2)sc1-c1ccccc1 524734905 HUKVNMJEZIALSD-UHFFFAOYSA-N 358.383 1.612 0 40 FDAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(=O)n(C)n3)ccc21 49507166 LERNCVIMBRXGAH-UHFFFAOYSA-N 370.409 1.804 0 40 FDAB Cc1ccsc1S(=O)(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 328947998 WANJYIPPNIZNJM-GFCCVEGCSA-N 368.484 1.994 0 40 FDAB COC(=O)CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157439 VVBCNHFJWFMFSG-OAHLLOKOSA-N 350.415 1.519 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224313593 GGDKOMKDCMKBIF-UHFFFAOYSA-N 361.471 1.362 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 96047088 HEGPXTWYJXQTQK-GOSISDBHSA-N 352.398 1.035 0 40 FDAB Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)CCN3C2)n1 96183455 RQCFGSJPRKTTLW-DLBZAZTESA-N 353.426 1.296 0 40 FDAB O=C(c1ccnnc1)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247875226 SQGMQHFDJBIBFI-CQSZACIVSA-N 355.398 1.357 0 40 FDAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H]1CCCO1 245225239 QCUOVCIRUIXJKC-DZGCQCFKSA-N 369.487 1.375 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229699 DKSOAYFCYKQHCY-APNQJHFZSA-N 350.802 1.537 0 40 FDAB CCc1cc(C(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)no1 257206401 BDFPKFFTLPMTGQ-LBPRGKRZSA-N 352.416 1.731 0 40 FDAB Cc1nc(C(=O)NC[C@]2(O)C[C@H](c3cccc(F)c3)O[C@H](C)[C@H]2O)co1 257241099 HWPWTLFWNPICHL-DUBJGWMJSA-N 364.373 1.494 0 40 FDAB Cc1cc(-c2ncc[nH]2)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257210551 BVDGVEZUQQCVFX-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB Cn1nc(C(=O)NC[C@H](Cc2cccc(F)c2)n2cccc2)ccc1=O 85467831 UJFGTBGNJOFKLD-INIZCTEOSA-N 354.385 1.935 0 40 FDAB CN(C)c1n[nH]c(NC(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)n1 644476870 HSFLUDBCLHHTNV-GOSISDBHSA-N 358.446 1.226 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cnn(C)c1 657076193 IOGSQXJKSQJAKF-SWLSCSKDSA-N 353.448 1.083 0 40 FDAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1 659204398 PXIRVSVYPQSEAZ-OLZOCXBDSA-N 364.446 1.926 0 40 FDAB C[C@@H](NC(=O)[C@H]1CC12CC2)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 1775991311 KRGCTQCAXWROGQ-CZUORRHYSA-N 361.486 1.446 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)[C@H]1CCc2ccccc2O1 390828589 BHXCMINGLGLQGJ-GDBMZVCRSA-N 364.409 1.213 0 40 FDAB CSCC(=O)N1CC2(C[C@H](CCOc3cncc(C)n3)CCO2)C1 575403838 JYGGBYQDTYQNIA-CQSZACIVSA-N 351.472 1.925 0 40 FDAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)C1(F)CCC1)C2)N1CCCC1 575405647 TUUZNIXWHOFSAQ-CYBMUJFWSA-N 356.463 1.604 0 40 FDAB Cc1cc(CC(=O)N2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)ccn1 585275942 BGRJDTQIYQZVMX-FQEVSTJZSA-N 358.413 1.904 0 40 FDAB CCS(=O)(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096106 RNAJYIPIYRTMTG-AWEZNQCLSA-N 368.484 1.010 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)n1 585108297 UJEBQXTZXZADST-GVDBMIGSSA-N 372.425 1.538 0 40 FDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)[C@H]1Cc3ccccc3O1)CC2 585096431 NDXSFCAXFYGIOD-SUMWQHHRSA-N 368.437 1.928 0 40 FDAB Cn1cc(-n2cc(C(=O)N[C@H](CO)c3cccc(F)c3)ccc2=O)cn1 546915994 ICNRFEBWQDFQFR-MRXNPFEDSA-N 356.357 1.174 0 40 FDAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCCO2 12114435 GCVLBSFPOKYORG-UHFFFAOYSA-N 369.421 1.775 0 40 FDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)OC(C)(C)C 14903003 XBQNTLJRBDPAOF-IBGZPJMESA-N 374.393 1.480 0 40 FDAB COCCCNC(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 19593314 JMHKZCZXTRYFIM-UHFFFAOYSA-N 372.425 1.403 0 40 FDAB CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 19706477 MHPAVTVVDYPVAY-MRXNPFEDSA-N 359.474 1.927 0 40 FDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 684530645 SGNGWWDRNPIPTL-BFHYXJOUSA-N 367.243 1.874 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nnc(C)s3)CC2)n1 1888909460 VCRQFDOABIRFPX-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(I)c1 12858722 ZUOKRTNPIPGZSE-UHFFFAOYSA-N 372.162 1.769 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)[C@@H]4CCOC4)C3)ccnc12 1565555914 JGFYOFUOLNKCRP-UONOGXRCSA-N 371.441 1.174 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(C(=O)N4CCCC4)c3C2)cn1 2055738898 YSYCQPVSNOSLLI-LBPRGKRZSA-N 355.398 1.296 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cc1 2055772180 DKXIJGOENSUJKZ-OAHLLOKOSA-N 371.437 1.803 0 40 FDAB O=C(NCCN1CCN(C(=O)Cc2cccs2)CC1)c1cccs1 38680371 AEJINNFGXIZYDJ-UHFFFAOYSA-N 363.508 1.926 0 40 FDAB CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 248087896 TUWPUOCSWFVTOY-KBUPBQIOSA-N 355.479 1.118 0 40 FDAB biogenic CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)Oc1ccc(OC)cc1 40094808 UMDICEAWZUVWEU-ZDUSSCGKSA-N 358.460 1.250 0 40 FDAB CCOC(=O)N1CCN(C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 40104000 HBAKTHDHUQEXIL-UHFFFAOYSA-N 364.402 1.960 0 40 FDAB O=C(NCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccco1 31903395 ZQGPGXYCHCDSFS-UHFFFAOYSA-N 368.393 1.418 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1)N1CCCCC1 32272371 HHJDWKGLDIRCEV-UHFFFAOYSA-N 371.441 1.440 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(-n2ccnc2)nc1 33042364 ADLVOJTUBBYOBD-GJZGRUSLSA-N 367.409 1.059 0 40 FDAB Cc1cc(=O)c(C(=O)NCCNc2ncccn2)nn1-c1ccccc1 47106090 MJQCDIOKDDMFOZ-UHFFFAOYSA-N 350.382 1.173 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 8923668 VOICICMXJZNIQE-NSHDSACASA-N 358.350 1.540 0 40 FDAB CCN(CC)CCN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 19369706 NJFAXAQPEAXEND-JQIJEIRASA-N 358.442 1.783 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 3557819 BUDHZMYUNIQJES-MRXNPFEDSA-N 370.361 1.812 0 40 FDAB CC(C)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 54036259 DJFHXGQKYIPLIS-UHFFFAOYSA-N 355.460 1.163 0 40 FDAB CCSC(SCC)[C@@H](NC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](O)CO 4963062 CPZZZXVMPRHIAW-MROQNXINSA-N 367.533 1.197 0 40 FDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOCC)cc1 6880400 YKQUGIHFZJGPMQ-UHFFFAOYSA-N 358.460 1.297 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncs1 7986041 BUSGEVSEUCHKFC-UHFFFAOYSA-N 372.497 1.828 0 40 FDAB CN(Cc1ccccc1F)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 23395076 QBNFXCTXCFZFFI-UHFFFAOYSA-N 358.416 1.294 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)NC(N)=O 8718877 XOIKFRYXQLGIKT-SECBINFHSA-N 371.235 1.211 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 10518803 RFVSJUGYCDUCCR-UHFFFAOYSA-N 352.437 1.394 0 40 FDAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cccc(O)c3)s2)cc1 105630303 CSIPLUSKULIOOD-IWSCKCOWSA-N 353.399 1.643 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)NCc2ccco2)CC1 58158342 CKACKCIAJCPRKN-ZDUSSCGKSA-N 373.409 1.546 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 106136202 WPNCGDFVJWXLAN-KGLIPLIRSA-N 358.490 1.910 0 40 FDAB Cc1occc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436949 DGWUWGUMBISHHG-UHFFFAOYSA-N 370.452 1.600 0 40 FDAB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3n[nH]nc23)cc1 62022650 FWLMIBRVOKCXRP-UHFFFAOYSA-N 354.418 1.544 0 40 FDAB O=C(Cc1c[nH]c2ccccc12)NCCn1c(=O)c(=O)[nH]c2ccccc21 62026741 FOYJOAQSZOOKTR-UHFFFAOYSA-N 362.389 1.530 0 40 FDAB Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 44376820 YEKHYRCVXVRHOH-INIZCTEOSA-N 365.499 1.315 0 40 FDAB O=C(CSc1nnc(COc2ccccc2Cl)o1)N1CCNC1=O 12675641 GJZMIPGGWACLJJ-UHFFFAOYSA-N 368.802 1.946 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 58159683 ANHXGFVIDHCMCM-AEFFLSMTSA-N 360.454 1.989 0 40 FDAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cnccn4)CC3)C2=O)cc1 102815211 KKEKUYZCENPYRU-MRXNPFEDSA-N 351.410 1.239 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 12780468 BHCFSSVMGGDOAJ-UHFFFAOYSA-N 360.435 1.778 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c(CO)nc2ccccc21 12790867 LHXXWTNKLZKXMN-LBPRGKRZSA-N 351.362 1.186 0 40 FDAB CCn1c(=O)n(CCC(=O)N[C@H](CC(C)C)C(=O)OC)c2ccccc21 24727800 ZQJNOLBOARGAIG-CQSZACIVSA-N 361.442 1.917 0 40 FDAB Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)o1 95961347 NUPWNGSNWUXFTM-MRXNPFEDSA-N 371.441 1.275 0 40 FDAB O=C(CCC(=O)N1CCOCC1)NCc1cccc(OCC(F)(F)F)c1 36390699 BJQHMVCQFDAHPV-UHFFFAOYSA-N 374.359 1.883 0 40 FDAB CC1(C)C[C@H](Nc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)CCO1 101710367 RIAUSBISPUNVJA-OAHLLOKOSA-N 369.465 1.979 0 40 FDAB COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1OC 2394441 WWQGIFFTJRJELC-ZROIWOOFSA-N 355.375 1.976 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)NCCC(=O)Nc1ccccn1 45828580 IUZNWSSJCYNDAJ-UHFFFAOYSA-N 360.801 1.610 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 29362141 WJMMMZXCPMTQCY-QFBILLFUSA-N 371.481 1.535 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC(=O)NC1CCCCC1 2643858 FOIOGYRLHQJSCB-OAHLLOKOSA-N 372.425 1.308 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 13012173 CNANQSWWEOKFOX-HNNXBMFYSA-N 361.423 1.659 0 40 FDAB CCCn1c(N)c(C(=O)COC(=O)c2ccc(CC)cc2)c(=O)n(C)c1=O 6618040 OZJGOJBBHPNOIW-UHFFFAOYSA-N 373.409 1.141 0 40 FDAB CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 5634754 CBOCBTFRMALFOR-UHFFFAOYSA-N 357.501 1.875 0 40 FDAB O=C1COc2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cc2N1 23342878 SYNNSVDRQKMPSN-UHFFFAOYSA-N 354.366 1.501 0 40 FDAB Cc1c(NC(=O)CCNC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C 15269180 ZKAWYUIURCDLHZ-UHFFFAOYSA-N 368.393 1.836 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(OC)nc2)C1=O 9501622 WHJLKPFSQIPYOS-SFHVURJKSA-N 354.366 1.592 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccsc2)NC(=O)N[C@H]1C 8392663 YXSQOFYWSAXZFY-JTQLQIEISA-N 352.412 1.742 0 40 FDAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccccc1 8791944 BZMREXHAPXLHJC-UHFFFAOYSA-N 367.453 1.193 0 40 FDAB biogenic COc1cc(CNC(=O)CNC(=O)c2cccnc2)ccc1OC(F)F 89429141 MFQUDTUMRKWDPK-UHFFFAOYSA-N 365.336 1.738 0 40 FDAB Cc1cn(C2CCCCC2)nc1NC(=O)N1CCOC[C@H]1c1nc[nH]n1 556721222 LCIMLTOGYMCPKZ-AWEZNQCLSA-N 359.434 2.420 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408666828 STYMHWVDXIPRTC-RPLLJCPNSA-N 370.405 1.508 0 40 FDAB CCN1CCN([C@@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1 36633916 ONDIJOMAZWLSEU-CQSZACIVSA-N 366.259 1.719 0 40 FDAB O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 569239601 WFUOHCHWSGUYEI-VIFPVBQESA-N 369.347 1.829 0 40 FDAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1OC 72227078 IFDYLBFRWVQIHF-QZTJIDSGSA-N 356.378 1.843 0 40 FDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1F 71980322 RTYUEOGPNTVQOO-OAHLLOKOSA-N 350.390 1.953 0 40 FDAB COCCn1c(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c2cccnc21 72346856 QLYNNSFOMPRTHC-UHFFFAOYSA-N 369.425 1.549 0 40 FDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 77264213 PVMORAWBOCWSRO-INMHGKMJSA-N 362.451 1.405 0 40 FDAB biogenic,in-vitro Cc1nc(-c2cccc(NC(=O)C3CN(S(C)(=O)=O)C3)c2)cs1 70817883 PHRAHVOUFIVASJ-UHFFFAOYSA-N 351.453 1.948 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)c2cccc(OC)c2)ccc1OC 222903531 YNXFMIWMANTCLZ-UHFFFAOYSA-N 364.423 1.889 0 40 FDAB COc1cccc(CC(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)c1 225402126 XUKFZLBSJGLOGX-MRXNPFEDSA-N 356.426 1.774 0 40 FDAB Cc1cc(NC(=O)CN(C)C(=O)CCNC(=O)c2cccs2)no1 40013148 INTXPPZCKBVSAH-UHFFFAOYSA-N 350.400 1.262 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)c1 224296086 OZZUFYZXNIETQD-UHFFFAOYSA-N 366.443 1.977 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)s1 225726031 DAWOXQHXKSVNPF-UHFFFAOYSA-N 370.412 1.094 0 40 FDAB Cc1cncc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)c1 96199803 VFFPTNZSLBQJJM-INIZCTEOSA-N 353.426 1.402 0 40 FDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1cccnc1)CC2)c1cnccn1 96051519 HIXQNMBEEWMQPG-MRXNPFEDSA-N 351.410 1.686 0 40 FDAB O=C(NC1CCN(c2cccnn2)CC1)[C@@]1(O)CCc2ccccc2C1 585081998 NJXBDOBCDBNFDA-HXUWFJFHSA-N 352.438 1.482 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 257209903 BSIXOINZUXFCNA-CQSZACIVSA-N 352.398 1.633 0 40 FDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 53203095 AVQOGDZSNLWMQO-SNVBAGLBSA-N 363.277 1.830 0 40 FDAB 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361.423 1.421 0 40 FDAB Cc1cc(C(=O)N2CCO[C@@H](c3nccnc3N)C2)c2c(C)noc2n1 257303232 SGHBPSIZNVAKPM-GFCCVEGCSA-N 354.370 1.426 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 264957070 XVGKWVGUTSDHIO-VXGBXAGGSA-N 361.485 1.292 0 40 FDAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cn2)c1C 280215726 FXMJMVXLUHWEDG-UHFFFAOYSA-N 351.432 1.417 0 40 FDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 623078020 GZAHYLLEXIMWGH-CVEARBPZSA-N 359.426 1.462 0 40 FDAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1 643430761 HYSYFYOGLNJTPF-SNVBAGLBSA-N 351.302 1.029 0 40 FDAB Cc1cc(C(=O)N2Cc3nncn3C[C@H]2C(=O)O)cc(C)c1OC(F)F 643856570 DRZNZBPWHFYTLP-NSHDSACASA-N 366.324 1.606 0 40 FDAB O[C@@H]1C[C@H](NC2CCN(CCc3ccc(F)cc3)CC2)[C@H]1n1cccn1 657517167 SITNHFYXYUOKOJ-XUVXKRRUSA-N 358.461 1.993 0 40 FDAB CCOC(=O)c1noc(CN[C@H](Cn2ccccc2=O)c2ccccc2)n1 1169762341 ULGHHODHSXFABH-OAHLLOKOSA-N 368.393 1.939 0 40 FDAB COc1cccnc1C(=O)N1CCN(C(=O)C2CC2)C2(CCOCC2)CC1 1775962776 FFOSVGZTGKZFEP-UHFFFAOYSA-N 373.453 1.724 0 40 FDAB Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615588349 DFOKLCPGUJSCPV-HOCLYGCPSA-N 359.430 1.293 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nccnc1Nc1nccs1 585293162 YNLZUWJGCZQPQN-BPJJOFIESA-N 358.471 2.458 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3nccnc3C)C2)c1 585277177 KRXHABAWCXXFKX-LJQANCHMSA-N 357.410 1.376 0 40 FDAB CC(=O)N1CCc2cc(C(=O)Nc3cccc(OCC(N)=O)c3)ccc21 36701180 CCOBRPMAMFQHLY-UHFFFAOYSA-N 353.378 1.712 0 40 FDAB Cc1ccc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)nc1 1615159648 HMQFUAOBUDKVMU-ZWKOTPCHSA-N 350.459 1.925 0 40 FDAB CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1c1ccc(OC)cc1OC 5488931 AZBAAOARIUPMPE-CQSZACIVSA-N 359.382 1.993 0 40 FDAB O=C1NN=C(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)[C@H]2C=CC=C[C@H]12 12143284 DICXLGDPYJHMFC-LSTDLKDCSA-N 365.433 1.598 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)ncnc21 13534848 UFSTXCGBWQFDCW-UHFFFAOYSA-N 366.429 1.904 0 40 FDAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2ccccn2)CC1 19289069 WJIWMAIXDMBBTE-UHFFFAOYSA-N 362.437 1.835 0 40 FDAB O=C(CN1C[C@@H](c2cccnc2)[C@@]2(CCCC(=O)N2)C1)NC1CCCCC1 19339967 RDAVTFIFRRUCLJ-GHTZIAJQSA-N 370.497 1.969 0 40 FDAB C[C@@H](OC(=O)CSc1ccc(Br)cc1)C(=O)NC(N)=O 7431811 DPQOFIRLYKIPDJ-SSDOTTSWSA-N 361.217 1.668 0 40 FDAB Cc1ncnc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1F 1888854680 PTFDBSGYZQOCPO-OAHLLOKOSA-N 358.373 1.413 0 40 FDAB CC1CCN(C(=O)CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1 1889110040 MAGHOFSDONQJKP-UHFFFAOYSA-N 371.407 1.876 0 40 FDAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565553598 ABCFRIZYLHVSPW-INIZCTEOSA-N 368.437 1.582 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)CC1(O)CCC1)C2 1565553487 ZZWBGOBZCXFVDA-VQIMIIECSA-N 357.454 1.584 0 40 FDAB CNC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21 9843588 HKICFQSPBALTJK-UHFFFAOYSA-N 358.785 1.006 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CC(n2cnc3ccccc32)C1 1775974701 ZTCVUIGARMBZOR-UHFFFAOYSA-N 359.389 1.830 0 40 FDAB COc1nn(C)cc1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 38677413 NMBKYNNMSNKYKP-UHFFFAOYSA-N 364.427 1.393 0 40 FDAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1c[nH]c2ccccc12 49027833 SZXRSHPNZLCEAA-UHFFFAOYSA-N 364.409 1.037 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1 575610229 FRAJHWICSMAUMN-CQSZACIVSA-N 362.411 1.277 0 40 FDAB Cn1cnc2c(N3CCC(Oc4ccn5nccc5n4)CC3)ncnc21 2298103458 GWGRPZMUSIYRGY-UHFFFAOYSA-N 350.386 1.454 0 40 FDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(C(=O)C2CC2)CC1 40051090 YQAPFRHALXSXHM-UHFFFAOYSA-N 373.453 1.649 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCCC(=O)Nc1ccccn1)c1cccs1 40105348 ZHKBVAODTYNYAW-ZDUSSCGKSA-N 360.439 1.855 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccncc2)n1 40267752 AKEZZHAMWHDWJJ-UHFFFAOYSA-N 353.338 1.073 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1nccs1 101413701 TVNLGHXZZKACID-CYBMUJFWSA-N 356.407 1.733 0 40 FDAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCNS(C)(=O)=O 32637560 DIRTWOIOZRBAOS-SECBINFHSA-N 369.270 1.816 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 102362119 SWSLBSRRZKBUPE-KBPBESRZSA-N 366.373 1.845 0 40 FDAB CC(C)CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21873341 BCOVGGAXVVDSKR-INIZCTEOSA-N 370.471 1.533 0 40 FDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 19310525 AKPZNIINCUIPER-KRWDZBQOSA-N 353.378 1.799 0 40 FDAB Cc1nc2nc(NCCCN(C)C)nc(NCCCN(C)C)c2nc1C 1646507 KIRNNDXSDKEUGS-UHFFFAOYSA-N 360.510 1.764 0 40 FDAB C[C@H](C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)n1nnc(-c2ccccc2)n1 79617828 RIUQSVWGVPDCPC-CJNGLKHVSA-N 367.413 1.915 0 40 FDAB CCCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 3483457 VMYVBFCGBKOMTF-UHFFFAOYSA-N 373.365 1.925 0 40 FDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 4356428 PJJZOMRBURCJGL-NWDGAFQWSA-N 361.508 1.649 0 40 FDAB Cc1nc2ncnn2c(N2CCN(C(=O)c3cccc(F)c3)CC2)c1C 4898022 VCVFIKABUSZDNT-UHFFFAOYSA-N 354.389 1.843 0 40 FDAB COCCN(CCOC)C[C@@H](O)COCc1ccc(OC)c(OC)c1 6936816 MMNFODSDYVALMN-MRXNPFEDSA-N 357.447 1.176 0 40 FDAB C[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 7605804 DFHZWJXKPDJYQC-CYBMUJFWSA-N 358.419 1.751 0 40 FDAB O=C(CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCCC1 42996264 UNSUFQQEFQTEOB-UHFFFAOYSA-N 366.361 1.876 0 40 FDAB COCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010076 ZNNRBWZNPLFTQB-UHFFFAOYSA-N 372.512 1.716 0 40 FDAB CN(C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1 24587155 NEZUMCQLNMIOGV-OAHLLOKOSA-N 354.410 1.868 0 40 FDAB CC1CCN(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)CC1 10540756 JVEJHQUAPKXSKY-UHFFFAOYSA-N 367.515 1.934 0 40 FDAB COC1=C[C@@]23[C@@H]4[C@@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@]2(C=C1)[C@H]3[C@@H]56 104309812 OOZBMPUTEZZCTM-HUOQPLTPSA-N 359.385 1.489 0 40 FDAB CCc1n[nH]c(S(=O)(=O)[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1 86170282 HQDIVGMOZDEZMN-NWDGAFQWSA-N 350.444 1.449 0 40 FDAB O=C([C@H]1CCCCN1C(=O)c1ccco1)N1CCN(c2ncccn2)CC1 108659865 AHXLIADZSISORE-OAHLLOKOSA-N 369.425 1.413 0 40 FDAB C[C@@H](NC(=O)CCCn1cccn1)c1cccc(NS(C)(=O)=O)c1 58157569 QVLJMDFUSVDVAR-CYBMUJFWSA-N 350.444 1.912 0 40 FDAB COCCN(CC(N)=O)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58182507 DIQYKAJHMKSQSV-UHFFFAOYSA-N 354.350 1.136 0 40 FDAB CC(C)N1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 58175365 ZDMZSFZJVHLDLB-INIZCTEOSA-N 367.515 1.544 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2cn3ccc(C)cc3n2)c1 58167647 DCKDMQGUSMPXPE-UHFFFAOYSA-N 359.407 1.908 0 40 FDAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 101661847 SDVUDNSZYQHVDV-CKEIUWERSA-N 364.467 1.626 0 40 FDAB COc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc(Br)c1O 12756066 BUAHTZGJKMMAPX-ZETCQYMHSA-N 358.188 1.987 0 40 FDAB CC(C)n1ncc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cnc21 10763271 PGGIGBCDGOWZMN-UHFFFAOYSA-N 366.385 1.094 0 40 FDAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc21 10833857 PSDNYSFEZHVHMH-INIZCTEOSA-N 374.462 1.858 0 40 FDAB NC(=O)[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 12818128 YJYRBSGTJFPCAE-ZDUSSCGKSA-N 353.300 1.979 0 40 FDAB Cc1ccsc1C(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58227155 NYGUHWYTSCIPOG-UHFFFAOYSA-N 358.379 1.367 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 11770199 PDMFTQUQAPADIN-VMPITWQZSA-N 373.438 1.948 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCCOC2CCCCC2)n(C)c1 29769504 DUCDBIALSDVUOL-UHFFFAOYSA-N 357.476 1.402 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCNC(=O)C1 3443171 UDMWREHWUJVVTN-AWEZNQCLSA-N 351.406 1.676 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 12944532 VDBTWFFCKQDNLN-MRXNPFEDSA-N 351.366 1.697 0 40 FDAB O=C(O)/C=C/C(=O)N1N=C(c2ccco2)C[C@@]12C(=O)Nc1ccccc12 9183935 OHMAZMRDUMMUGQ-LKGOPFMKSA-N 351.318 1.704 0 40 FDAB CNC(=O)[C@H]1CCCN(C(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1 95465620 MYLJHMKUHUPLPW-LRDDRELGSA-N 358.360 1.811 0 40 FDAB COc1ccc(CN2CCC(CNC(=O)N3CCNC(=O)C3)CC2)cc1 63407168 FRUIJJOUEXVGRY-UHFFFAOYSA-N 360.458 1.049 0 40 FDAB Cc1cccc(OCCOC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 4278077 GAXPKSWANZSVKT-UHFFFAOYSA-N 354.362 1.620 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC(C)C)cc1C 28209704 XCQIACOXTIEOGF-CYBMUJFWSA-N 354.428 1.208 0 40 FDAB C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)C[C@@H](C)O1 14198050 UICBCCGRRGHDCJ-VXGBXAGGSA-N 359.423 1.050 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 14129495 PLQSGNQDDSEXMY-STQMWFEESA-N 356.378 1.671 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2nc3ccccc3o2)n(C)c1=O 9317796 MEPPQIKBVWMMAQ-UHFFFAOYSA-N 357.395 1.367 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CC1 6509055 ZDFCXVKRCZJMRO-UHFFFAOYSA-N 352.334 1.532 0 40 FDAB O=C(c1cccnc1Sc1nnnn1-c1ccccc1)N1CCOCC1 5775972 BWWPJZJBZKRASE-UHFFFAOYSA-N 368.422 1.681 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1C 4935363 OYAQKMORIMBHGZ-ZDUSSCGKSA-N 363.439 1.382 0 40 FDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@@H]2CCOC2=O)CC1 71795959 BRCAMMWXJNORHK-HUUCEWRRSA-N 352.818 1.487 0 40 FDAB O=C(COC(=O)Cc1coc2cc(O)ccc12)NC(=O)NCC(F)(F)F 7635746 MNWBJLDBOVIAEV-UHFFFAOYSA-N 374.271 1.612 0 40 FDAB Cc1c(C(=O)NCc2ccc(C(N)=O)o2)nnn1-c1cccc(Cl)c1 81015745 GVIKKSZHRYKWNW-UHFFFAOYSA-N 359.773 1.851 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCC(=O)O)c1 9537167 VJVYAZBMVAFAOA-UHFFFAOYSA-N 360.407 1.451 0 40 FDAB O=C(NCCN1CCOCC1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 20677221 QMYYTKFQOPQPDB-UHFFFAOYSA-N 370.331 1.817 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CSCCS2)cc1 75108410 HOMJBYRBFVVGPV-LBPRGKRZSA-N 360.526 1.515 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 408548007 BSBOWPHADWKNOF-XNTDXEJSSA-N 355.350 1.552 0 40 FDAB COC(=O)C(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)OC 409046660 LBWQOVRKLVQRRB-UHFFFAOYSA-N 373.155 1.642 0 40 FDAB O=S(=O)(NC[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1 657085577 NXRMQHJLLQXTFW-ZDUSSCGKSA-N 369.361 1.152 0 40 FDAB O=C(Cc1noc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1)NCc1ccccc1 36353849 LTFUXICOVDQLPT-OWCLPIDISA-N 366.421 1.871 0 40 FDAB COc1cccc([C@@H]2Oc3ccccc3CC23C(=O)NC(=O)NC3=O)c1 524731545 BHUQWUKGWSIOPA-HNNXBMFYSA-N 352.346 1.724 0 40 FDAB biogenic CN1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 78969028 YUJUEZLVDSKRCO-QGZVFWFLSA-N 365.499 1.440 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)N1CCCCC1 36357816 ZEIKGCSGWSKHGD-UHFFFAOYSA-N 359.361 1.185 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@H]2c2nnc3n2CCN(C)C3)c1 72373912 ITUQRDSHTIBEBQ-INIZCTEOSA-N 355.442 1.638 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1ccc2c(c1)N=C(O)CS2 36352951 XSFICDOHZCOOOS-UHFFFAOYSA-N 371.484 1.381 0 40 FDAB CSCC[C@@H]1NC(=S)N(c2cccc(N3CCOC3=O)c2)C1=O 32825997 LMXJVLIRVVSNGF-LBPRGKRZSA-N 351.453 1.986 0 40 FDAB O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1cccc3nccnc13)CC2 72347465 AKKQJZOPRGZEGU-UHFFFAOYSA-N 362.437 1.872 0 40 FDAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2cn(C)nn2)CC3)no1 77196477 DSDVCVONRTWVPJ-UHFFFAOYSA-N 373.398 1.019 0 40 FDAB CN1C[C@H]2C3(CCN(C(=O)c4cnccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96062586 DNHYRDQTAIFRSX-OXJNMPFZSA-N 371.485 1.129 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 247333820 PWFQILZHICDZCW-HNNXBMFYSA-N 374.466 1.758 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCO1 257215791 CRRBNVXAXDWGRT-OAHLLOKOSA-N 352.398 1.633 0 40 FDAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1cc(C(F)(F)F)n[nH]1 623036351 XNXSGMOJXQCTAE-NSHDSACASA-N 359.329 1.828 0 40 FDAB CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN([C@@H](C)CC(=O)O)CC2)c1 630224439 OCXOMPOAICENRT-NSHDSACASA-N 367.833 1.919 0 40 FDAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C(C)C)oc1C 644172204 YFGBWDIKAXKNLV-GFCCVEGCSA-N 356.444 1.087 0 40 FDAB O=C(O)c1cc(NS(=O)(=O)N2CCCOCC2)cc(C(F)(F)F)c1 650169818 UBRFADFTKIRAAS-UHFFFAOYSA-N 368.333 1.783 0 40 FDAB O=S(=O)(CCc1ccc(F)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 656957537 VAQKFKTUJKECGU-IAGOWNOFSA-N 356.463 1.229 0 40 FDAB C[C@H](NC(=O)NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1cccnc1 663476293 ARTARBSXVFQQCJ-JQFCIGGWSA-N 358.446 1.247 0 40 FDAB CCc1ncnc(N[C@@]23CC[C@@H]2CN(C(=O)c2cncnc2C)C3)c1F 1615057637 VIFWYCJZPUTSLH-KZULUSFZSA-N 356.405 1.993 0 40 FDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NCc1cccc(N2CCOCC2)n1 681482914 DTJSQVNNHSBKJE-UHFFFAOYSA-N 369.347 1.899 0 40 FDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cccn2C1 585099136 OXHNOZWYEHYLEX-CQSZACIVSA-N 369.421 1.668 0 40 FDAB Cn1nc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C1CC1 677892817 YFFBEPWXOUQSNC-UHFFFAOYSA-N 374.466 1.720 0 40 FDAB CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(C(=O)c2ccccc2F)C3)C1 585111488 BSUWHRPRTJTMKI-LBPRGKRZSA-N 373.384 1.873 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160338 ZFJBIJQOLMVCOK-IBGZPJMESA-N 372.400 1.597 0 40 FDAB Cc1nnsc1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 12086078 WRXDPCAOPCRSGM-YNKQFZHNSA-N 369.450 1.880 0 40 FDAB NC(=O)c1nc(-c2ccsc2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114181 AXHNJIZQAOHHOR-UHFFFAOYSA-N 351.391 1.995 0 40 FDAB CNc1ncc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cn1 12121361 VPTGAMZXYHNXQY-UHFFFAOYSA-N 368.488 1.153 0 40 FDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H](C)n3cncn3)nn2c1O 12276328 NPCQZENWSFRBRE-SWLSCSKDSA-N 369.429 1.822 0 40 FDAB COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1 14153167 FEIZRWLJMSXKRV-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NCc1ccccc1F 19349495 VOQYKNKLAXVYOX-INIZCTEOSA-N 354.385 1.853 0 40 FDAB CS(=O)(=O)N1CCc2cc(NC(=O)c3ccnn3C(F)F)ccc21 19573095 PWUIRFFVWZWQBM-UHFFFAOYSA-N 356.354 1.853 0 40 FDAB CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CCCO1)C2 19017316 NRQHXLWJRGXETC-IRXDYDNUSA-N 358.442 1.614 0 40 FDAB COc1ccccc1N1CCN(CCNC(=O)NC2CCOCC2)CC1 225551669 KZFIUNFPQSPUGO-UHFFFAOYSA-N 362.474 1.295 0 40 FDAB C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2(N3CCOCC3)CC2)C1 633328354 IEANMPBWYLDPSJ-SFHVURJKSA-N 357.498 1.832 0 40 FDAB Cc1nn(C)c2sc(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)cc12 653848942 NBQVTCNYOPGYMT-NSHDSACASA-N 355.485 1.983 0 40 FDAB CN1CCN([C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)CC1 22584934 SYAXHMGABNMNRW-ZDUSSCGKSA-N 359.348 1.735 0 40 FDAB Cc1cc(NC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)no1 7133900 MQZSTEQVZGDCAI-UHFFFAOYSA-N 356.429 1.359 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@@H]2C1 1888876162 UJZDQVIAYCQDKR-BETUJISGSA-N 372.400 1.847 0 40 FDAB Cn1cncc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984600 GTEOSTKCDNOCGB-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB Cn1ccc(CC(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)n1 1614928907 AHHLMHBQSSXEJB-MRXNPFEDSA-N 370.457 1.405 0 40 FDAB COC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1 2972948 UGXKLURJCMLQAD-UHFFFAOYSA-N 365.345 1.565 0 40 FDAB COc1ccc(OC)c(NC(=O)CSc2nc(O)c3c[nH]nc3n2)c1 4249617 TWQUPYLUAAUYIC-UHFFFAOYSA-N 361.383 1.807 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cnn(C)c2)CC1 2055747499 BQARVJGPMQGFGV-UHFFFAOYSA-N 371.441 1.262 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(CCc2ccccc2)CC1 2055746301 LZQYPJFKNLMJSW-UHFFFAOYSA-N 355.486 1.998 0 40 FDAB COc1cc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)cc(OC)c1 2055708096 HCXIJFBRBVQAHP-UHFFFAOYSA-N 372.469 1.980 0 40 FDAB Cn1cnc(C(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)c1 1775971056 MGUKZJDZJBOXIN-UHFFFAOYSA-N 366.400 1.979 0 40 FDAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2)c(N2CCOCC2)n1 49411151 MTSBWDOMRDBAOJ-UHFFFAOYSA-N 356.426 1.589 0 40 FDAB O=C(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCC1 100188964 MRMHGBKNHMDREZ-KRWDZBQOSA-N 373.428 1.792 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1 32744625 ABZHVQPZXQBUBW-CQSZACIVSA-N 374.462 1.918 0 40 FDAB COc1ccccc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 32895314 XVZOWWOIZZEYLZ-HUUCEWRRSA-N 369.487 1.171 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nccn2C(F)F)cc1 32853951 JKBHHUUQFDWBLY-UHFFFAOYSA-N 359.354 1.886 0 40 FDAB CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 21768375 NVIQODOLSWLZKV-UHFFFAOYSA-N 368.455 1.337 0 40 FDAB CCN(CCNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccccc1C 46992329 GMMRGEQKFGWAOB-HNNXBMFYSA-N 370.540 1.858 0 40 FDAB O=C(NCc1ccc(Cl)s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 46996598 IPUCSMDIUHRARO-LBPRGKRZSA-N 357.863 1.934 0 40 FDAB COC(=O)CCCn1c(C)cc(C(=O)CSc2n[nH]c(N)n2)c1C 8921944 ATRUWFQIQGQPSN-UHFFFAOYSA-N 351.432 1.733 0 40 FDAB CCS(=O)(=O)C(Br)(Br)S(=O)(=O)CC 1679004 RLBAFUSVUDQMON-UHFFFAOYSA-N 358.073 1.257 0 40 FDAB O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)N1CCNC1=O 22804431 LSCVQITZVGJKFG-UHFFFAOYSA-N 354.813 1.149 0 40 FDAB COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 2952230 IONFHWANFSEYKJ-UHFFFAOYSA-N 367.405 1.504 0 40 FDAB aggregator O=C(O)c1cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1N1CCOCC1 4954472 ROKYNMWYXSKGTI-ZIAGYGMSSA-N 358.394 1.901 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1nncs1 97531389 SZPAIPKDKKPMDV-GFCCVEGCSA-N 357.395 1.128 0 40 FDAB COC(=O)c1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 8393143 HYHSCCCKIBCSLZ-UHFFFAOYSA-N 365.389 1.959 0 40 FDAB Cc1c(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cnn1C 25297822 YIXVJHXDOPTUPG-GFCCVEGCSA-N 353.386 1.772 0 40 FDAB C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 34852228 PAHALEPBFDIZJU-AWEZNQCLSA-N 369.462 1.143 0 40 FDAB CC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1 25480527 WVHYLDUVVQXHAN-UHFFFAOYSA-N 369.252 1.974 0 40 FDAB COc1ccc([C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N2CCCC2)cc1 48093808 RSHYOODDSOGBRR-CZUORRHYSA-N 354.472 1.381 0 40 FDAB O=C(CSc1nc(O)c2cn[nH]c2n1)NC(=O)NCc1ccccc1 24747071 LPOYOQLBMXQNOY-UHFFFAOYSA-N 358.383 1.177 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 57188990 OIRBGPPIRPZYCO-RBSFLKMASA-N 356.419 1.532 0 40 FDAB O=C(NCCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1 27972436 KHTCCBILEHDAHR-UHFFFAOYSA-N 362.405 1.511 0 40 FDAB C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1nc2ccccc2n1C(F)F 72301006 YEEJQYIKTOOTSK-MRVPVSSYSA-N 364.312 1.426 0 40 FDAB O=S(=O)(N1CCCCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 24245045 GFTMTBYVKDWSNV-GOSISDBHSA-N 367.515 1.458 0 40 FDAB CCc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(-c2cccc(F)c2)n1 57508131 SNZNVYDTDJDEFC-INIZCTEOSA-N 359.401 1.907 0 40 FDAB COC(=O)[C@H](CO)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 10030430 PEXYVRJOBXPDGH-AWEZNQCLSA-N 371.418 1.865 0 40 FDAB CCc1nsc(N2CCN(C(=O)NCCCc3cnn(C)c3)CC2)n1 176287239 IKFQRMORXBLWSR-UHFFFAOYSA-N 363.491 1.298 0 40 FDAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58177628 BUIKLAMUNILWPE-AWEZNQCLSA-N 374.466 1.752 0 40 FDAB COc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 58162783 LWZDSQQEKRCEEG-UHFFFAOYSA-N 354.410 1.953 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CNC[C@@H]2COc3ccccc3O2)c1 3338890 MZRQVKJJSQVVQE-OAHLLOKOSA-N 362.451 1.867 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)nn12 12870674 YMDGCFJCVJXDMZ-SNVBAGLBSA-N 369.337 1.345 0 40 FDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12882373 DBZVRSIREXOPDN-ABAIWWIYSA-N 371.231 1.909 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 10970528 SIMVNWJINGCWTF-GFCCVEGCSA-N 366.399 1.424 0 40 FDAB O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@H]1CCCCNC1=O 46210501 FQKPHHOVKPDTJM-ZDUSSCGKSA-N 364.467 1.959 0 40 FDAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCNC4=O)c(=O)c23)cc1 6087512 ZFCICRQWKZUVTM-UHFFFAOYSA-N 368.418 1.985 0 40 FDAB CN1CCN(NC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 4279734 ZUALJWZKIZWNKB-UHFFFAOYSA-N 366.421 1.105 0 40 FDAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1 14226308 AUKDVUIGEPWSKC-UHFFFAOYSA-N 358.350 1.583 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC(n3cc([C@H](C)O)nn3)C2)cc1Cl 96000485 PMPDSBKIIBBJLT-JTQLQIEISA-N 356.835 1.539 0 40 FDAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(N)=O)c2)c1 5588470 HSPHEPRPDRXOPS-LBPRGKRZSA-N 362.407 1.826 0 40 FDAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 4745100 XKXCTUUQHRNMLJ-MRXNPFEDSA-N 360.410 1.608 0 40 FDAB CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 4943971 VGTNEKDGKFGPDE-OAHLLOKOSA-N 362.426 1.898 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COC(=O)c2ccoc2C)c2ccccc2O1 9513817 YOUUJJWLPXRYJI-HNNXBMFYSA-N 358.350 1.285 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOC)cc1Cl 408600342 AGIBKSRYDWLOGU-JTQLQIEISA-N 364.851 1.168 0 40 FDAB CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1 120657311 DZKOVMOPBDNUFU-OAHLLOKOSA-N 367.515 1.866 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3ccccc3o2)CC1 36569402 APPHDATYSDBPCZ-CYBMUJFWSA-N 373.409 1.852 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)NC(=O)OC(C)(C)C 218654236 DGZCAZJPMKCEAP-JKIFEVAISA-N 372.462 1.948 0 40 FDAB CCOc1ncccc1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225447555 LGFBXPMELRSNSW-ZDUSSCGKSA-N 357.414 1.630 0 40 FDAB CC(=O)N[C@@]1([C@@H](O)c2c[nH]c3ncccc23)C(=O)N(C)c2ccccc21 40310348 BHQZXJJWCICVHM-LPHOPBHVSA-N 350.378 1.604 0 40 FDAB biogenic O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc(-n2cnnc2)c1 49547774 SHBGZRMBPKTIKR-UHFFFAOYSA-N 351.366 1.270 0 40 FDAB Cc1cc(=O)[nH]c2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc12 49031099 ONDOKYYTRYVRMH-UHFFFAOYSA-N 363.439 1.447 0 40 FDAB Nc1ncc2c(n1)CCN(C(=O)COc1ccccc1C(F)(F)F)C2 573908964 IBOOFHFVIKZNDO-UHFFFAOYSA-N 352.316 2.041 0 40 FDAB CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccnc1)CC2 77196358 DZZUIJPIJMXGDU-UHFFFAOYSA-N 368.440 1.854 0 40 FDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H](c3nc(O)n[nH]3)C2)n1 585080941 APBCIDKXCVFVNO-QMMMGPOBSA-N 357.340 1.769 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230441 RQZAKLPXGJTNNF-GJRWTSMGSA-N 362.401 1.803 0 40 FDAB COc1ncccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 248159742 XBQPFCLNTKDDFA-JFIYKMOQSA-N 370.453 1.306 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CCc1ccnn1C 257271787 MZTNKVVEWHKIGF-LJQANCHMSA-N 357.458 1.238 0 40 FDAB CC(C)n1cc(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)cn1 252480714 CDYUDTNMAYENAA-SNVBAGLBSA-N 350.400 1.984 0 40 FDAB Cc1noc(C)c1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1 257273471 NGSKIHCUPYEYPE-UHFFFAOYSA-N 365.459 1.734 0 40 FDAB CNC(=O)[C@H]1CCCN1C(=O)C[C@@](C)(C(=O)O)c1ccc(Cl)cc1 634872769 VOLYCUGFNKAJTI-CXAGYDPISA-N 352.818 1.809 0 40 FDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cc([C@@H](N)[C@@H]3CCCO3)nn2)c1 641223884 JPRFTOVLVWSILH-ISTRZQFTSA-N 366.849 1.859 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(F)cc(Cl)c1 647927420 NXJQKWCRNBTGIL-ZDUSSCGKSA-N 351.783 1.733 0 40 FDAB C[C@H]1OC2(CCN(C(=O)Cc3ccc(Br)cc3)CC2)NC1=O 1615590928 MYVMDBHTPRBVBO-LLVKDONJSA-N 367.243 1.845 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)c2c(C)noc2n1 1775959994 LYPKDHDNDBLCCF-ZIAGYGMSSA-N 354.414 1.401 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(CC(F)(F)F)CC1 730209654 UBHNPAWLCCRVCD-GFCCVEGCSA-N 373.350 1.885 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)n1 575402805 CUHJWUKIRVTQBU-HNNXBMFYSA-N 372.425 1.377 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]2O1 585108682 XNILXDAENMRZIR-MAZHCROVSA-N 370.384 1.874 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCc3cnn(C)c3)CCO2)cc1 585278341 SGEGHQTXASNOOX-FQEVSTJZSA-N 357.454 1.494 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)Cc3ccccc3)C[C@H]12 585108369 AUWIDPVGSZYFOP-OAGGEKHMSA-N 352.394 1.131 0 40 FDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)C3(F)CCC3)O2)cn1 585108558 UDLFUJKMRHHKNI-RBSFLKMASA-N 362.405 1.052 0 40 FDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)Cc2ccccc21 599504980 JYNFONYVPOUJCU-CJNGLKHVSA-N 352.456 1.878 0 40 FDAB COc1ncccc1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CN)C1 952852344 YTEKNSVOQADPGB-STQMWFEESA-N 360.380 1.801 0 40 FDAB Cc1oc(C(=O)NCCc2ccccn2)cc1S(=O)(=O)N1CCCC1 48276328 UIFXDNXENDOPJY-UHFFFAOYSA-N 363.439 1.740 0 40 FDAB CC(C)CS(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565520777 OOXUKYSTSNUEBZ-UHFFFAOYSA-N 364.475 1.108 0 40 FDAB NC(=O)C1CCN(CC(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 103506509 KYCOVWSUUSEWBX-CXTCDGGRSA-N 367.921 1.878 0 40 FDAB O=C(NCC1(O)CSCCSC1)c1ccc(Br)o1 1888847483 IKJQDBMOBUIGNO-UHFFFAOYSA-N 352.275 1.983 0 40 FDAB CN(C)c1ccc(C(=O)N2CC(Cn3nc(C4CC4)ccc3=O)C2)cc1 1775967113 FZJIAEOYGFEKKI-UHFFFAOYSA-N 352.438 1.959 0 40 FDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)O 5415780 LTLGHWWAISDESV-CKYFFXLPSA-N 369.830 1.977 0 40 FDAB CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 11613348 MHBONNWPLSQNMS-GFCCVEGCSA-N 355.423 1.755 0 40 FDAB COC(=O)Cc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O 13639813 UYKWNWDRUHUWBN-UHFFFAOYSA-N 356.426 1.116 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(O)cc1 17877464 QLHIRBLHHAYYDY-GOSISDBHSA-N 369.396 1.985 0 40 FDAB CN1CCN(CCCN(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 19590033 WGOCPPZRFVFRFH-KRWDZBQOSA-N 351.878 1.739 0 40 FDAB CN1CCc2nnc([C@H]3CCCN3C(=O)COc3ccccc3)n2CC1 19706357 SIRCRPMDPSINND-MRXNPFEDSA-N 355.442 1.509 0 40 FDAB COCC(=O)N1CC[C@H](c2ccnc3c(Cn4ccnc4C)c(C)nn23)C1 19707561 LQRHITFJIUQQML-HNNXBMFYSA-N 368.441 1.553 0 40 FDAB COc1nn(C)cc1C(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553196 NRXKDLYODFBMET-UHFFFAOYSA-N 364.409 1.522 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 4192826 FJLGRNJXHGDVEP-UHIISALHSA-N 360.288 1.283 0 40 FDAB Cc1ccc(OCC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1C 13700204 PNQSTKREGHOIPE-UHFFFAOYSA-N 366.425 1.469 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccn(C)n2)CC1 2055747518 DPWIMMVFDCMECT-UHFFFAOYSA-N 371.441 1.262 0 40 FDAB O=C(NCc1cccs1)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713490 WAGISRAMXGJOOR-CYBMUJFWSA-N 374.466 1.296 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN([C@@H]4CCCC[C@@H]4O)CC3)nn2)n1 2298179371 ZFIOFGVGXXEUAO-SJORKVTESA-N 356.474 1.705 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)cc1Cl 75155165 JJBYCDNMDUWJOC-ZDUSSCGKSA-N 351.790 1.475 0 40 FDAB Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 100545974 AQNVIXFHOBUMTK-UGQVUOCMSA-N 367.405 1.946 0 40 FDAB O=c1c(NCCc2ccccc2)c(N2CCN(c3ccccn3)CC2)c1=O 101705911 KLVYPSZIVGSAND-UHFFFAOYSA-N 362.433 1.659 0 40 FDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 32598915 AQFUUWOBZFYGNR-UHFFFAOYSA-N 367.333 1.822 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)NCC(=O)N2CCCCC2)CC1=O 53055902 KMWKXQSVXMNKDV-MRXNPFEDSA-N 357.454 1.731 0 40 FDAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 103155246 SOJOYKFGZBAKJA-SYQHCUMBSA-N 358.785 1.647 0 40 FDAB O=C(CN(Cc1cccc(F)c1)C1CC1)N1CCN(c2cnccn2)CC1 53232117 VTJCFRWCFCISJU-UHFFFAOYSA-N 369.444 1.929 0 40 FDAB CCc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 46945688 QEMOBNGQQAWJLY-HNNXBMFYSA-N 351.472 1.843 0 40 FDAB O=C(CN1CCCCCCC1=O)NCCS(=O)(=O)c1ccccc1 53560746 KIGHFIJQFLGQNB-UHFFFAOYSA-N 352.456 1.369 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccncc1 818160 IENQFFZWFNQBHJ-UHFFFAOYSA-N 363.439 1.336 0 40 FDAB COCCNC(=S)N(CCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4132860 LVKWONWNVGGHQR-UHFFFAOYSA-N 363.483 1.460 0 40 FDAB O=C(COc1ccc(Br)cc1)NCCNC(=O)c1ccco1 23041601 BTSDVCIODIBVDU-UHFFFAOYSA-N 367.199 1.967 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2cnc3ncccn3c2=O)cc1C 6603630 UYERYNPINGKLHS-UHFFFAOYSA-N 352.350 1.502 0 40 FDAB COc1ccc(-n2ncc(C(=O)N3CCOCC3)c2C(F)(F)F)nn1 24049763 VQADAKNFSCIPEK-UHFFFAOYSA-N 357.292 1.162 0 40 FDAB CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)O 12504856 BEACQTJJMSFOKA-JTQLQIEISA-N 364.217 1.067 0 40 FDAB in-vitro CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 8302226 RYBNHNSBUXQUTO-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB COc1ccccc1N1CCN(Cc2nnnn2-c2ccccc2)CC1 12533550 ZLSNNYANYJASCC-UHFFFAOYSA-N 350.426 1.993 0 40 FDAB Cc1nnc(SCC(=O)N[C@H]2CCCCNC2=O)n1Cc1ccccc1 47972316 VNSCARUAFORKBR-HNNXBMFYSA-N 373.482 1.512 0 40 FDAB CCN1C(=O)C[C@@H](N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 102819583 WNPDCNRZJOPAQE-GFCCVEGCSA-N 373.331 1.603 0 40 FDAB CC(C)OCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20454047 LPXHKAHLAOFVHI-HNNXBMFYSA-N 356.444 1.145 0 40 FDAB Cc1ccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Br)c1 58338215 TWPOIKPQZQAWFH-SNVBAGLBSA-N 361.261 1.473 0 40 FDAB CCOCCCNC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 57465288 WDFRDRYPHJVXJG-UHFFFAOYSA-N 372.469 1.991 0 40 FDAB Cc1nnc(SCc2nc(N)nc(N(C)C)n2)n1Cc1ccccc1 12724571 BHOBMVJXQUHNJB-UHFFFAOYSA-N 356.459 1.760 0 40 FDAB O=C(O)[C@@H]1CN(Cc2ccco2)C[C@H]2CN(Cc3ccco3)CCN2C1 107201058 ANVRRTZZSCHGDO-HZPDHXFCSA-N 359.426 1.575 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)CN(C)C(=O)c2cccs2)n1 58369230 OBOZRQBZCYKWGJ-UHFFFAOYSA-N 360.439 1.669 0 40 FDAB Cc1nc(S(=O)(=O)NCCC(=O)NCCC2CCCCC2)cn1C 58324040 HPMGEGJNYWFCGE-UHFFFAOYSA-N 356.492 1.484 0 40 FDAB COc1ccc(CC(=O)NCCS(=O)(=O)c2ccccc2)cc1OC 48366421 HZLIKZNOVIIQQD-UHFFFAOYSA-N 363.435 1.836 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 22227464 JOCUQBHVZHYLHM-UHFFFAOYSA-N 350.415 1.935 0 40 FDAB Cc1noc(CSc2nnc(-c3cccs3)n2CCC(N)=O)n1 28949073 YZCSCRBECVBBPG-UHFFFAOYSA-N 350.429 1.866 0 40 FDAB CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 2594263 HATYZRQEOYFMFK-UHFFFAOYSA-N 371.441 1.619 0 40 FDAB COc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1 2658590 PBBVMTRXQZNZAR-UHFFFAOYSA-N 372.377 1.887 0 40 FDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O 2646185 DNYQIRRIHRZQRW-GFCCVEGCSA-N 356.444 1.290 0 40 FDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12931158 KGNHNKVPMRAVDX-HCRIHEDKSA-N 374.393 1.801 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 13002074 LIYXBLFYBJGOCC-UHFFFAOYSA-N 366.468 1.612 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 13075224 HZSLOZDJSRETOD-KRWDZBQOSA-N 358.354 1.397 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC[C@@H]1c1cccs1 9112807 OVSBBVQERLHYGL-CQSZACIVSA-N 355.423 1.854 0 40 FDAB CCCCc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 13534584 SXNHWSYBFZZDFP-UHFFFAOYSA-N 369.425 1.415 0 40 FDAB biogenic Cc1cc(=O)n2nc(N3CCN(C(=O)c4cccc(F)c4)CC3)sc2n1 65528812 UQMWQOXUWAYSLB-UHFFFAOYSA-N 373.413 1.561 0 40 FDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCC(=O)N1CCCC1 14170792 KDCXQQGEMQBFHQ-CYBMUJFWSA-N 367.471 1.260 0 40 FDAB COc1ccccc1N1C(=S)N(CC(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 9304756 DOFHOVNSJGWSEY-KBPBESRZSA-N 354.497 1.924 0 40 FDAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)c1 6881601 MPUFXUQSMBCZDC-UHFFFAOYSA-N 370.409 1.303 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCN3C(=O)c4ccccc4C3=O)nc2n1 7990058 CJGMKQZGUNDUPS-UHFFFAOYSA-N 351.322 1.152 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2nc3ccccc3o2)cc1 7989364 YYDTUFQZSBRVCV-UHFFFAOYSA-N 359.407 1.724 0 40 FDAB Nc1c(C(=O)CSc2ccc3ccccc3n2)c(=O)[nH]c(=O)n1C1CC1 8229768 QQNNMHJWEMPYNQ-UHFFFAOYSA-N 368.418 1.977 0 40 FDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC1=O)c1ccccc1 69331801 WYCIRZMYUALWEF-MSOLQXFVSA-N 365.433 1.423 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 8314067 YOMIGZOWLAWMMJ-WMLDXEAASA-N 370.446 1.274 0 40 FDAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N3C(S)=NC(=O)C(C)(C)N23)c1 9698281 URLYGDAIPOHWMP-GFCCVEGCSA-N 360.439 1.664 0 40 FDAB CC(C)(C)C(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787803 ICXROQYRGAZHTK-UHFFFAOYSA-N 366.439 1.664 0 40 FDAB CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 97015553 JOKNQVVZWUMNLY-HNNXBMFYSA-N 350.444 1.776 0 40 FDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 306139706 TXZOBMIMQMPEJR-JGGQBBKZSA-N 362.455 1.625 0 40 FDAB O=C(NC1CC(F)(F)C1)[C@H]1CN(CC2CCOCC2)Cc2cncn21 306136639 PYYCEBUNMMCEPM-OAHLLOKOSA-N 354.401 1.580 0 40 FDAB Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1 20141562 WVPCKKPGMIBUOB-SFHVURJKSA-N 352.442 1.960 0 40 FDAB Cc1ccccc1C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)c(=O)n2C 20418424 RBCDCOUVJMNGON-UHFFFAOYSA-N 366.421 1.864 0 40 FDAB O=C(CN1Cc2ccnn2C[C@H](CCNc2ncccn2)C1)N1CCCC1 306131041 JVFVDIPXSSQZLS-MRXNPFEDSA-N 369.473 1.230 0 40 FDAB O=C([C@@H]1C[C@@H](F)CN1c1nc(C2CCCC2)ns1)N1CCOCC1 557635001 QYKATTZYQJDUIB-OLZOCXBDSA-N 354.451 1.971 0 40 FDAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccco1 31071608 CWDKFAPJFXJGMH-UHFFFAOYSA-N 366.395 1.036 0 40 FDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709061 OQWSCRLLTBKJLL-GFCCVEGCSA-N 359.382 1.035 0 40 FDAB O=C1CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 217342851 AEBCRLXBHYROOD-OALUTQOASA-N 370.474 1.697 0 40 FDAB CCN(C(=O)CN1CCO[C@H](c2ccsc2)C1)[C@H]1CCS(=O)(=O)C1 125462897 ZBZFJXRDGNDUMQ-GJZGRUSLSA-N 372.512 1.157 0 40 FDAB CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 25009650 GBUGQSYBJNNPHW-UHFFFAOYSA-N 363.439 1.858 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)n1cnnn1 39994039 VEAQJDSIXOOIEY-OAHLLOKOSA-N 351.366 1.502 0 40 FDAB Cc1nccn1[C@@H](C)CC(=O)N1CCC(CC(=O)N2CCOCC2)CC1 72392077 ANRHPFLANUJLLL-HNNXBMFYSA-N 362.474 1.630 0 40 FDAB O=C(c1ccc(N2CCCC2)cc1)N1CCn2c(nnc2[C@H]2CCCN2)C1 72373967 GYQOYWQSPBQEJN-QGZVFWFLSA-N 366.469 1.959 0 40 FDAB O=C(CCNc1ncccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 45767628 JRERHWIQSWIYTG-UHFFFAOYSA-N 361.427 1.457 0 40 FDAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(C(N)=O)CC1 225434769 IOINFULUOGTXJS-JTQLQIEISA-N 361.373 1.872 0 40 FDAB biogenic,in-vitro O=C(Cc1cncn1Cc1ccccc1)N1CCC(c2nc(O)n[nH]2)CC1 572004563 YSMAXOGBDLFYLT-UHFFFAOYSA-N 366.425 1.704 0 40 FDAB CC(C)(C)SCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44786544 NCVVBCQTZNGIGN-CQSZACIVSA-N 372.512 1.862 0 40 FDAB CO[C@@](C)(C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)C1CC1 225643242 QTAVCHLKLCTVFZ-LJQANCHMSA-N 362.426 1.678 0 40 FDAB CC(C)n1ncc2cc(S(=O)(=O)N[C@@H]3CCC(=O)N[C@@H]3C)ccc21 577139724 JZYBIAQGSUSJAL-BXUZGUMPSA-N 350.444 1.563 0 40 FDAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCOCC3)c(=O)cc2OC)cc1 96101027 LFRLTBFDLXSOND-ZDUSSCGKSA-N 373.409 1.347 0 40 FDAB Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3c3cccnc3)C2)c1=O 583621037 ONPFJPRKGXZILR-XHSDSOJGSA-N 353.426 1.064 0 40 FDAB O=C(Cc1nsc2ccccc12)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 580829376 BETAOHJZGOMCHA-LBPRGKRZSA-N 369.450 1.707 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccs1)C2 96056968 BORAWNDDFRWHJN-CRAIPNDOSA-N 366.483 1.864 0 40 FDAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ccncc4[nH]3)[C@H](F)C2)CC1 96112112 OHILNAUHTVOTTA-PBHICJAKSA-N 361.421 1.508 0 40 FDAB biogenic,in-vitro Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(CC2CCCC2)C3)n1 253478856 NKRJXDDETCTFLQ-MRXNPFEDSA-N 365.499 1.843 0 40 FDAB OCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 257227042 FNJQIPLAVJDEFR-IRXDYDNUSA-N 356.413 1.334 0 40 FDAB CC(=O)NCC(=O)N1[C@H](c2ccccc2F)C[C@]2(C)NC(=O)CCC[C@H]12 257292988 QNSBWXLRKFDSNX-BXWFABGCSA-N 361.417 1.663 0 40 FDAB O=C(CN1CCOCC1)N1CCOC[C@@H](Cc2cccc3occc23)C1 257293376 QPFMXBTZYFDKHQ-INIZCTEOSA-N 358.438 1.783 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@H]2c2ccc(CN3CCOCC3)cn2)n1 257272227 NBNJJNSQDWVQMO-GOSISDBHSA-N 355.442 1.625 0 40 FDAB CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1O 257282945 OVZVZPAIYBTLTN-RDJZCZTQSA-N 358.442 1.160 0 40 FDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cncnc3)CC2)ncn1 257296297 RCDFHLRCBZMEFR-CQSZACIVSA-N 368.441 1.453 0 40 FDAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)on1 25446216 IKYVOMAPFGUVBT-UHFFFAOYSA-N 355.441 1.759 0 40 FDAB C[C@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)c2cnccc2NC1=O 1615592724 ZTCSQMIRNKHJSJ-NSHDSACASA-N 353.382 1.895 0 40 FDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC(C)CC2)Cc2ccccc21 599506075 XZJHXJRMFLPFIN-MRXNPFEDSA-N 352.456 1.736 0 40 FDAB CNc1cc(N2CCC[C@@H]2CNc2ccc(C(=O)NC3CC3)cn2)ncn1 608082502 HYDXVEBZDSTXAU-OAHLLOKOSA-N 367.457 1.886 0 40 FDAB COCC(=O)Nc1cccc(CNC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)c1 626744432 AMQVBRVMBAGJFK-WFASDCNBSA-N 363.414 1.524 0 40 FDAB Cn1cnc(CCNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)c1 630650630 PTMKHEMOIQYCAH-IRXDYDNUSA-N 356.426 1.197 0 40 FDAB COCCN(Cc1ccc(C)o1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 630665693 PVRWULMIHHZXGJ-CVEARBPZSA-N 350.415 1.643 0 40 FDAB O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678231 IACIKYOCQDIALJ-UHFFFAOYSA-N 351.366 1.397 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)N(C)CCOCc2ccccc2)cnn1C 643734994 UXADTVQGGULZPC-MOPGFXCFSA-N 356.470 1.707 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(F)cc(Cl)c1 647927419 NXJQKWCRNBTGIL-CYBMUJFWSA-N 351.783 1.733 0 40 FDAB CN(C)C(=O)COCC[C@@H]1CN(c2ncc(F)cn2)Cc2cccn2C1 585095210 IKMQQYNOHOSWQE-AWEZNQCLSA-N 361.421 1.549 0 40 FDAB O=C(c1cnccn1)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093394 UCOGOZWBAWZJDU-MRXNPFEDSA-N 350.369 1.587 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn2c(-c3ccc(F)cc3)ccnc12 585171874 NEQJZWKZWGKIPE-CYBMUJFWSA-N 374.397 1.452 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095202 JZOFPOUAXJPILX-XOKHGSTOSA-N 360.458 1.355 0 40 FDAB O=C(CCCn1cccn1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288271 SSLRVZSHHPJXTR-NLWGTHIKSA-N 355.438 1.809 0 40 FDAB Cc1noc(C2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)n1 53448190 FELFCNMJRNVJNR-UHFFFAOYSA-N 367.409 1.884 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 108396625 KQURRNXZDCWYPV-KMFMINBZSA-N 350.415 1.124 0 40 FDAB Cc1cc(C(=O)NC2CCN(C(=O)C3(O)Cc4ccccc4C3)CC2)no1 81292152 VBSWFOQRKUJKKJ-UHFFFAOYSA-N 369.421 1.234 0 40 FDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)O 5415761 UVSYGDAIZHLVBZ-FOGDFJRCSA-N 369.830 1.977 0 40 FDAB C[C@H](C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1)N1CCCC1=O 19710183 QRHKYWVJUXHFOB-CQSZACIVSA-N 361.490 1.199 0 40 FDAB Cc1nc(N2CCN(c3cc4c(nn3)CCC4)CC2)c2cnn(C)c2n1 575605993 CEQJGFVJRRNPNZ-UHFFFAOYSA-N 350.430 1.277 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccccn3)ccc21 5426061 OVMVUBKURSRZJI-UHFFFAOYSA-N 374.418 1.834 0 40 FDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCCC4)C[C@@H]2C(=O)N1Cc1ccccc1 1888857177 CAGAFYVUZNWUFY-CALCHBBNSA-N 364.449 1.906 0 40 FDAB COc1ccc(Cl)c2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc12 1888866267 OCIAVOYMGFBOKR-CQSZACIVSA-N 352.803 1.747 0 40 FDAB Cc1csc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c1 1888879144 VPDIIXHVQVGIKR-CHWSQXEVSA-N 368.466 1.942 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)Nc1ccccc1 21476158 GUWOHXONIAWNDD-UHFFFAOYSA-N 353.382 1.856 0 40 FDAB CC1(C)C[C@H]1C(=O)NC(=CCCCCSC[C@H](N)C(=O)O)C(=O)O 1857524414 DHSUYTOATWAVLW-QWRGUYRKSA-N 358.460 1.433 0 40 FDAB CCN(C)C(=O)c1cnc2n1C[C@H](NC(=O)c1cc(C3CC3)on1)CC2 1614940777 MZQUJUDWPDIQFT-GFCCVEGCSA-N 357.414 1.585 0 40 FDAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4370511 SNCNHGASOLCCKW-UHFFFAOYSA-N 351.410 1.909 0 40 FDAB Cc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)O)cc1Cl 12443252 YYFSTDURXXFLPG-UHFFFAOYSA-N 363.761 1.213 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc(OC)c(OC)c3)ncnc21 13532143 OSSQYDQYEOSPRW-UHFFFAOYSA-N 374.426 1.989 0 40 FDAB COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3cnn(C)c3)CC2)c1 2055750988 VGCNDGPBKOGTAP-UHFFFAOYSA-N 371.485 1.964 0 40 FDAB COc1cc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)on1 2055731798 WPSLBKXWGYOXAL-ZDUSSCGKSA-N 363.414 1.459 0 40 FDAB COc1ccccc1NC(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O 20488747 FSHAIJWFJDLAIU-UHFFFAOYSA-N 351.362 1.647 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 15905301 UROUHZNCYQHZAL-PDOICOKGSA-N 353.422 1.422 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 100006835 XFOXJSLOKBYOAR-PLRCWCRUSA-N 361.401 1.627 0 40 FDAB biogenic C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100641685 KQNSWQIZKZKVJE-CFXSOUKZSA-N 371.364 1.747 0 40 FDAB Cc1ccc(CCCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)c1 8936907 NAFDTOWBTKTLTG-UHFFFAOYSA-N 373.478 1.850 0 40 FDAB CCCCN(Cc1noc(CCCC(=O)OC)n1)[C@@H]1CCS(=O)(=O)C1 78806195 QSMWQLIWHWBFIZ-CYBMUJFWSA-N 373.475 1.355 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc2scc(C)n2c1=O 79482391 DVOGOLFGPNXOHO-AWEZNQCLSA-N 371.418 1.579 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)C1 22928651 HZEUZSNHBZUTLR-CYBMUJFWSA-N 373.409 1.125 0 40 FDAB COc1ccc(C(=O)N2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1 54057253 UFDDCLWLGPPUKU-UHFFFAOYSA-N 366.425 1.643 0 40 FDAB CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2OC(=O)c3ccccc32)cc1 4101909 HXBKMJFXFMGTDJ-QGZVFWFLSA-N 374.418 1.513 0 40 FDAB Cc1ccc(CNC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1F 23174693 ANIHRVUVGAFFFY-UHFFFAOYSA-N 364.421 1.414 0 40 FDAB COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CCOC1=O)N(C)CC3)OCO2 34118415 ZEBJLZFDIVCYJM-BUXKBTBVSA-N 361.394 1.865 0 40 FDAB biogenic COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)cc1 8559294 DTWBIBCUAZGLAG-VIFPVBQESA-N 355.276 1.828 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 25325280 HKHSGPRWAFZWOD-UHFFFAOYSA-N 356.474 1.755 0 40 FDAB CC[C@H]1CCCCN1CCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 23989831 CBOGKWKKQVZJNP-ZDUSSCGKSA-N 358.446 1.249 0 40 FDAB COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1cccs1)c1ccccc1 58323883 YCKDSPFSHJKSBQ-CQSZACIVSA-N 368.436 1.057 0 40 FDAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(N)n2C)c1 36398297 QOGFJHWBNWFWDL-UHFFFAOYSA-N 351.432 1.926 0 40 FDAB COc1ccc(C[C@H](NC(=O)CNC(N)=O)c2ccc(OC)cc2)cc1 12872359 REEDZBDMKXMREK-KRWDZBQOSA-N 357.410 1.772 0 40 FDAB CCCc1n[nH]c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1 11466392 NTQVHDBRIFTYSB-GFCCVEGCSA-N 374.532 1.521 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1 3416732 STQJGZWZHDUVKA-UHFFFAOYSA-N 369.421 1.946 0 40 FDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCCCC(=O)O)ccc1c23 11691605 YILHNHGCYNMMMZ-UHFFFAOYSA-N 362.407 1.963 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 10091015 WWZVGKGCGOKXJX-UHFFFAOYSA-N 350.338 1.460 0 40 FDAB COc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1OC 13041185 QDIOOUPTOJDWGH-UHFFFAOYSA-N 362.382 1.760 0 40 FDAB Cc1cc2c(cc1NS(C)(=O)=O)c1c(n2S(C)(=O)=O)CCCC1=O 5034814 KWLZJZFSZAZOOO-UHFFFAOYSA-N 370.452 1.648 0 40 FDAB COc1cc(CNC(=O)Cn2nnc3ccccc32)cc(OC)c1OC 14139578 GBCGZDQYEIZXLS-UHFFFAOYSA-N 356.382 1.774 0 40 FDAB CN1CCN(C(=O)CN2C(=O)c3ccccc3Oc3ncccc32)CC1 96118883 JNLUTRCUYUUMRO-UHFFFAOYSA-N 352.394 1.608 0 40 FDAB COc1ccc(C(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 9320227 KDHBKGDTWSEYHH-UHFFFAOYSA-N 370.438 1.854 0 40 FDAB O=C1CNC(=O)N1CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851041 BFSDCMVIIONPNL-CYBMUJFWSA-N 358.225 1.919 0 40 FDAB CCc1ccccc1N(CC(=O)NCCCn1ccnc1)S(C)(=O)=O 4912824 FQXISEZFZWEONK-UHFFFAOYSA-N 364.471 1.418 0 40 FDAB COCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(N2CCCC2)n1 67256895 ALFBALSURROCPD-UHFFFAOYSA-N 356.426 1.937 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C[C@@H](C)C[C@@H](C)C1)C2=O 7443439 ZFHDWIIPLQYUBU-MBIJGJCISA-N 350.463 1.496 0 40 FDAB O=C(c1cc[nH]c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 68276269 ZDPJULRVTZRUJC-UHFFFAOYSA-N 351.403 1.737 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCN(c2ccccc2F)CC1 7764004 VNYWLVBTXQNOFZ-UHFFFAOYSA-N 367.384 1.279 0 40 FDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1 9514182 WEQNXWCLAVCXTQ-UHFFFAOYSA-N 374.422 1.786 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)NC[C@@H]3CC=CCC3)cc2)CCN1 69109997 UFOQCJUSKZNTPF-OAHLLOKOSA-N 370.453 1.414 0 40 FDAB Cn1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c(-c2ccc(F)cc2F)n1 95970755 WLRNUDAQBVEICS-UHFFFAOYSA-N 365.336 1.417 0 40 FDAB CCn1nnnc1SCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 22056133 XAWYVHALNMSBMR-AWEZNQCLSA-N 360.487 1.691 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccnnc1)C2 306123856 AYNPQWHXVQCFST-CQSZACIVSA-N 371.416 1.626 0 40 FDAB COCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 113965829 GMKPXLHMUQZLPC-UHFFFAOYSA-N 362.879 1.957 0 40 FDAB CC(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 25373638 WHNVXVDVCLAHCF-HNNXBMFYSA-N 370.471 1.093 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3nccs3)C[C@@H]1C2 306140573 UXQAOLXCSJYIJS-NWDGAFQWSA-N 358.471 1.321 0 40 FDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 306135737 OZHWEKCJIINZCH-MRXNPFEDSA-N 367.453 1.625 0 40 FDAB CC(C)CC(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306141257 VPYWBTXFMGLJAX-CQSZACIVSA-N 352.456 1.522 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 38828295 GTSJRHZWKOHZQW-LBPRGKRZSA-N 371.372 1.574 0 40 FDAB NC(=O)NCCC[C@H](NC(=O)Cn1ccc2cc(Cl)ccc21)C(=O)O 71333297 AQJIEUKUQSSERC-LBPRGKRZSA-N 366.805 1.313 0 40 FDAB Cc1cc(Nc2nncs2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72360006 XTPRCDISOXWWDU-JTQLQIEISA-N 354.461 1.519 0 40 FDAB CCOCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217602601 LXTHEAYPRNUALB-UHFFFAOYSA-N 374.459 1.538 0 40 FDAB O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1-n1cnnc1 40392430 RFEWNHICEUMMPW-UHFFFAOYSA-N 364.756 1.663 0 40 FDAB COc1cc(N2CCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906259 LITJWZDAFFHRBQ-LBPRGKRZSA-N 351.476 1.941 0 40 FDAB Cn1cc(N2CCC[C@@H](Oc3ccc4c(c3)CCCNC4=O)C2=O)cn1 329147770 XZNHHJUGXWDMQD-QGZVFWFLSA-N 354.410 1.671 0 40 FDAB COc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(C)=O)s1 225715669 WGMGNYBBDPAEAU-QMMMGPOBSA-N 356.429 1.545 0 40 FDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(F)cc1F 224360920 FINUYDLLWCEOPG-UHFFFAOYSA-N 363.368 1.910 0 40 FDAB CCCNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223385391 FVDLBXINTQRQND-UHFFFAOYSA-N 362.455 1.746 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1Cl 224196274 CKAUAEYXLRPHLT-UHFFFAOYSA-N 356.835 1.683 0 40 FDAB CCCNC(=O)CSc1nnc(S[C@@H]2CCCCNC2=O)s1 40025728 JUIBXOGQJIZRMS-SECBINFHSA-N 360.530 1.917 0 40 FDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Cc2ccccc2)[C@H]1O 514289129 VILMPGGEDIZNPE-JAXLGGSGSA-N 368.477 1.648 0 40 FDAB biogenic,in-vitro CCc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccc1C 582713420 IGMBWAFONNTIHW-QZTJIDSGSA-N 356.426 1.828 0 40 FDAB CC(C)(CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1)c1ccc2c(c1)OCO2 584216846 QTRKIMWIFMRNGE-CYBMUJFWSA-N 373.413 1.594 0 40 FDAB CC(C)(C)CC(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244206 OHLRUWRDNWWUIM-HXUWFJFHSA-N 374.485 1.750 0 40 FDAB CC(C)C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCO1 332832827 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HLNPELCYLYJDGV-GOSISDBHSA-N 372.469 1.447 0 40 FDAB NC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 100769279 LNHLDLNMBITKAS-PHIMTYICSA-N 369.377 1.645 0 40 FDAB O=C(NCc1cscn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 51311434 PESCUBWTPCWYNX-UHFFFAOYSA-N 366.468 1.359 0 40 FDAB CCOc1ccc(NC(=O)CN(C)c2ccc3nnnn3n2)cc1OCC 32871796 MZBCQCDAAFSJNJ-UHFFFAOYSA-N 371.401 1.392 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(OCc3noc(C)n3)cc2)CC1 32860450 JSGWTBDWOWVAMD-UHFFFAOYSA-N 374.397 1.871 0 40 FDAB Cn1ncc(C(=O)N2CCN(Cc3ccccn3)CC2)c1-n1cccc1 32823186 AAJUOECRODPHIO-UHFFFAOYSA-N 350.426 1.564 0 40 FDAB CCc1nn2c(nnc3c(=O)n(-c4nnc[nH]4)ccc32)c1-c1ccccc1 12391675 POMGBPFVCKLDMV-UHFFFAOYSA-N 358.365 1.776 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c1 812561 SMGGMJLZJMWZDS-GOSISDBHSA-N 374.418 1.861 0 40 FDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)NC1CCC(O)CC1 78413782 AHJGONGGOGEAPY-UHFFFAOYSA-N 353.444 1.652 0 40 FDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)c1cnn(-c2ccccc2)n1 1598828 CEKNEBXDNNDNMN-IRXDYDNUSA-N 361.354 1.366 0 40 FDAB CCn1c(=O)n(CC(=O)NC2CCN([C@H]3CCOC3)CC2)c2ccccc21 79110199 MPPUABLAFMLRFZ-INIZCTEOSA-N 372.469 1.192 0 40 FDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1CC(=O)N(C2CC2)C1=O 97003110 FJAGSCMDCSPPTK-MRXNPFEDSA-N 372.425 1.195 0 40 FDAB Cc1c(NC(=O)c2ccc3[nH]nnc3c2)cccc1C(=O)N1CCOCC1 54262570 GCPKTLDIYYBTBK-UHFFFAOYSA-N 365.393 1.991 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1 6186441 QUVKVSFQYHJWSI-UHFFFAOYSA-N 361.375 1.829 0 40 FDAB COc1ccccc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 6859696 QHZGVUMFZSTKPB-UHFFFAOYSA-N 351.409 1.874 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 23458183 GNTDTJDZFIVECB-UHFFFAOYSA-N 365.405 1.635 0 40 FDAB C[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cccc(S(N)(=O)=O)c1 105129969 MAIKUEBUTDYVTI-YXMPFFBPSA-N 366.439 1.640 0 40 FDAB COc1ncccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1snnc1C 100172263 OXVQNCGVTVCRAB-RYUDHWBXSA-N 360.439 1.905 0 40 FDAB C[C@H](C(=O)OCC(=O)NCc1ccco1)N1C(=O)c2ccccc2C1=O 3246745 GMJLOYRBZFTEAF-LLVKDONJSA-N 356.334 1.124 0 40 FDAB COc1ccccc1N1CC[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 108503017 UMBATPOSXZHAEB-CKEIUWERSA-N 354.472 1.618 0 40 FDAB CCNC(=O)NC(=O)CN[C@H](C(=O)N1CCC(C)CC1)c1ccccc1 58280791 CPESNTXGAVBRSK-KRWDZBQOSA-N 360.458 1.422 0 40 FDAB CN1CCC(N(C)C[C@H](NC(=O)c2cnn(C)c2)c2ccccc2)CC1 58297339 ZUUOENHKXIRQBE-IBGZPJMESA-N 355.486 1.917 0 40 FDAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(Cc3ccc(C)s3)C[C@@H]2C1 107201037 UYKJPGHRLUEEBX-LSDHHAIUSA-N 351.472 1.106 0 40 FDAB COc1ccc(CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1OC 3344051 PWLLRLDHXKFEFE-UHFFFAOYSA-N 372.208 1.884 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1C 58407277 CUSVCMMXZYVJAG-UHFFFAOYSA-N 369.531 1.618 0 40 FDAB CC(=O)c1cccc(N2CN=c3s/c(=C\c4ccc(C)o4)c(=O)n3C2)c1 2251938 WGWYQAKXUPKWDE-MFOYZWKCSA-N 367.430 1.897 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1OC 72284000 HNVIQZFQXRBMLU-DNVCBOLYSA-N 369.421 1.935 0 40 FDAB CCc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 23299993 ORMXKYMHKYTDGN-UHFFFAOYSA-N 358.486 1.392 0 40 FDAB CCn1nc(C)c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 21053307 SACJCZJZCJDLIW-UHFFFAOYSA-N 350.444 1.957 0 40 FDAB CCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 20731481 QIYYDXAGECYGPH-GOSISDBHSA-N 358.442 1.356 0 40 FDAB COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)NCC(F)(F)F)cc1 11428710 JNYOERGAJGEUEB-VIFPVBQESA-N 362.304 1.035 0 40 FDAB COc1ccc(C(=O)N2CCC[C@H]2/C(O)=N/S(C)(=O)=O)c(OC)c1 48486835 AUZSUGXISVJCHT-LBPRGKRZSA-N 356.400 1.225 0 40 FDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NC1CC(F)(F)C1 306123982 BCFJSJHWLDIBIJ-INIZCTEOSA-N 368.428 1.970 0 40 FDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 13262348 AQWMTPGIOLNEMG-UHFFFAOYSA-N 370.408 1.094 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)ccc21 13306920 INMBXDKOCWDBBX-MRXNPFEDSA-N 366.439 1.614 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1OC 5008477 TXOMYOSWIGFYEP-ZDUSSCGKSA-N 370.471 1.629 0 40 FDAB Cc1cccc(C(=O)N[C@@H](C(=O)NCCNC(=O)c2ccco2)C(C)C)c1 39554950 KOFKTRDQSLSTLW-QGZVFWFLSA-N 371.437 1.889 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccccc1Cl 4248594 JDBIOVXRBOLYIU-UHFFFAOYSA-N 357.801 1.697 0 40 FDAB C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccn1)C(=O)NCc1ccco1 96013163 VUZDVNCDOJDLMD-LLVKDONJSA-N 359.386 1.203 0 40 FDAB COc1cccc([C@H]2CNC(=O)c3nc(-c4nnc5n4CCC5)[nH]c3C2)c1 65493456 PDYOYEOOJRJWNA-GFCCVEGCSA-N 364.409 1.693 0 40 FDAB Cn1nnnc1SCCC(=O)N1CCN(c2ccc(F)cc2)CC1 6397132 RLHODMQELOBFDS-UHFFFAOYSA-N 350.423 1.180 0 40 FDAB C[C@@H](COCC(F)(F)F)NS(=O)(=O)N1CCc2ccccc2C1 65793742 XNDWZAJBTBQZCY-NSHDSACASA-N 352.378 1.847 0 40 FDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3nccs3)[C@@H]4C2=O)no1 9306452 BVVFSEWLWPTESF-UBEDBUPSSA-N 358.379 1.365 0 40 FDAB Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1F 5917854 WVFMFIQDSSYVRQ-UHFFFAOYSA-N 367.402 1.185 0 40 FDAB CC(=O)N1CCC2(CC1)NN=C1C=CC(c3nc(C(C)(C)C)no3)=CN12 67341179 XSGOGWCSDCMOGW-UHFFFAOYSA-N 356.430 1.835 0 40 FDAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1sccc1C(N)=O 7377449 XCCLLGMOHLDOML-ZETCQYMHSA-N 351.359 1.752 0 40 FDAB CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](O)c2ccco2)c1 97260102 WZOFUDNHLAWAES-AWEZNQCLSA-N 352.412 1.895 0 40 FDAB CC(C)OCCCNC(=O)NC(=O)COc1ccc(-c2nnco2)cc1 8428833 FAZJIVCVSVPFKF-UHFFFAOYSA-N 362.386 1.756 0 40 FDAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N[C@H]1CCS(=O)(=O)C1 17971255 ZKHJNPQCGOXJKI-QMMMGPOBSA-N 360.848 1.007 0 40 FDAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 75126777 NHXLGXYYIZQIOI-UHFFFAOYSA-N 364.379 1.979 0 40 FDAB CN1CCN(c2cc(N[C@H]3CCCN(c4ccccc4)C3)ncn2)CC1=O 302573306 QENDKISYNZCPIX-INIZCTEOSA-N 366.469 1.836 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23CN(Cc2ncc[nH]2)CCO3)cn1 306141066 VKOMTCTZTJYASA-APWZRJJASA-N 370.457 1.452 0 40 FDAB COc1cccc(-c2cc(NC(=O)[C@H]3CCc4nnnn4CC3)n(C)n2)c1 521255517 FGLHXFNZQKWIBZ-LBPRGKRZSA-N 367.413 1.673 0 40 FDAB O=C(CC1(Cn2cnnn2)CCCCC1)NC[C@H]1COc2ccccc2O1 524732653 SVWJUNUWDSIYQQ-HNNXBMFYSA-N 371.441 1.970 0 40 FDAB COc1cc2c(cc1CN1CCn3c(nnc3[C@@H]3CCCN3)C1)OCCO2 72373936 ZMONXIQEPHROTP-AWEZNQCLSA-N 371.441 1.498 0 40 FDAB Cn1cc(-c2cc(C(F)(F)F)nc(N3CCC(C(N)=O)CC3)n2)cn1 36618567 JJSQXUCBFRBWOD-UHFFFAOYSA-N 354.336 1.598 0 40 FDAB CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218025318 UPUHRNZJJNUABG-GRDNDAEWSA-N 354.472 1.809 0 40 FDAB COc1ccnc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1 48314799 NJZVPLMYIMQJPQ-UHFFFAOYSA-N 350.444 1.925 0 40 FDAB O=C(CCN1CCSC1=O)NCCS(=O)(=O)Cc1ccccc1 48300625 XRPXNHRVIQKGES-UHFFFAOYSA-N 356.469 1.277 0 40 FDAB COc1cc(OC)cc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 224176638 VIUAHIQWYFBGLQ-UHFFFAOYSA-N 372.425 1.569 0 40 FDAB Cc1c(CNC(=O)Nc2cc(Br)cn(C)c2=O)cnn1C 89228800 MSJCCWKKFHNDHP-UHFFFAOYSA-N 354.208 1.511 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 45866109 QJFFFPHNTNZABI-UHFFFAOYSA-N 369.420 1.678 0 40 FDAB O=c1onc(-c2ccccc2)n1C[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O 572404263 CLSGCOPVSCZXGY-BPQIPLTHSA-N 367.405 1.112 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1OC 224271969 WXWSJIXXSPJSMY-UHFFFAOYSA-N 364.427 1.895 0 40 FDAB 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CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 16755861 PQKCBEZOWZXCDV-UHFFFAOYSA-N 369.454 1.851 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 19375625 DGQLQHYALHQQPQ-JSGCOSHPSA-N 363.439 1.426 0 40 FDAB CCN(CC)C(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19526223 INNVYBCSUCSUSN-FQEVSTJZSA-N 373.453 1.429 0 40 FDAB C[C@@H](c1cc(O)nc(N(C)CCN(C)C)n1)n1ncc2ccccc2c1=O 19717537 LZCTWXWKPZKCDB-ZDUSSCGKSA-N 368.441 1.499 0 40 FDAB CS(=O)(=O)Cc1ccccc1CNC(=O)C1(C(=O)O)CC2(CCC2)C1 659154812 WCNZBVMQSRXGLC-UHFFFAOYSA-N 365.451 1.883 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 24678514 OSHJRHAUNVYDHI-CQSZACIVSA-N 368.455 1.392 0 40 FDAB Cn1nccc1[C@H]1C[C@H](NC(=O)NCC(=O)NCc2ccccc2)CCO1 1672770260 NDNPWIPUQWCGLY-NVXWUHKLSA-N 371.441 1.256 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cc(Cl)ccc1F 12685192 HJPPJJSALJQRIV-OAHLLOKOSA-N 369.824 1.741 0 40 FDAB O=C([C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCCCC1 1888860521 SCFIVENSBMMKOS-HNNXBMFYSA-N 364.446 1.177 0 40 FDAB 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CCOC(=O)C1=NO[C@H](Cc2c(C=O)c3c(c(OC)c2OC)OCO3)C1 14988006 FKNFBYGQLIXSNP-SECBINFHSA-N 365.338 1.496 0 40 FDAB Cc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1C 16311975 NYYQXSLINZJNGD-HNNXBMFYSA-N 353.488 1.232 0 40 FDAB CCOc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@H]3CCCO3)n2)cc1 41254423 UGDPNOJQXLEDMH-QGZVFWFLSA-N 371.437 1.994 0 40 FDAB COC(=O)c1cccn1C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 70036654 CCQKFSWASDYVKC-CYBMUJFWSA-N 361.442 1.743 0 40 FDAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C 69591186 SDPQXJCPZLETBT-TZMCWYRMSA-N 361.442 1.416 0 40 FDAB CO[C@H](C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 69641396 ZRSUUFUPJLHQHK-KRWDZBQOSA-N 374.418 1.764 0 40 FDAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccnc1 19991147 NDMRRZXWCQBUEX-FQEVSTJZSA-N 367.405 1.179 0 40 FDAB Cc1[nH]cc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 89505490 ZDIOFHGOLULHMW-SECBINFHSA-N 370.818 1.145 0 40 FDAB O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCN(CCO)CC3)ncc21 20478105 BFFMBZVJSHJNCS-AWEZNQCLSA-N 368.437 1.209 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CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 1565547232 GYESAWHUSMHJKA-ZDUSSCGKSA-N 358.485 1.451 0 40 FDAB CCN1C(=O)c2cccnc2C12CCN(C(=O)Cn1cc(Cl)cn1)CC2 1565553383 WRLMYTFESSWOCM-UHFFFAOYSA-N 373.844 1.925 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)on1 1565544736 OZSBGBWYANAISG-LBPRGKRZSA-N 351.403 1.219 0 40 FDAB COc1cccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)c1 4497733 XVZLSPNCLHKLGI-LLVKDONJSA-N 352.437 1.841 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCCC1 5032701 IOQUWUIJVNTFED-UHFFFAOYSA-N 356.361 1.129 0 40 FDAB O=C(NCCCn1ccnc1)c1ccc(N2CCCCS2(=O)=O)cc1 5345133 YRMKJFMUTCIQMY-UHFFFAOYSA-N 362.455 1.633 0 40 FDAB NC(=O)c1ccc(NC(=O)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 15826744 OGZNSODVNNPDRO-UHFFFAOYSA-N 358.379 1.136 0 40 FDAB CNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 22767976 LAYVGIXFHUWYSI-UHFFFAOYSA-N 357.801 1.859 0 40 FDAB COc1ccccc1OCC(=O)N1C[C@@H]2CN(c3cc(C)ncn3)C[C@H]2C1 1775976234 WOFVTORWEWWLHH-HOTGVXAUSA-N 368.437 1.767 0 40 FDAB 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COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(F)(F)CO)CC2)c1 1614993950 HXHAIIAWHWFXQW-CVEARBPZSA-N 354.397 1.571 0 40 FDAB Cc1c(C(=O)Nc2cccc3c2CNC3=O)cnn1-c1ccc(O)nn1 1117330605 ULFFFSNTBMIUOP-UHFFFAOYSA-N 350.338 1.172 0 40 FDAB COc1cccc(C(=O)N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)c1 643927433 AWDGTAHCMALAPX-HNNXBMFYSA-N 358.398 1.698 0 40 FDAB O=C(NCc1nnnn1C1CC1)C1(Cc2cccc(F)c2)CCOCC1 645649921 VHWLAHDHHHBRBN-UHFFFAOYSA-N 359.405 1.803 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1cc(C)no1 657147412 KOSBFONOABNRKR-GXTWGEPZSA-N 354.432 1.397 0 40 FDAB COc1ccc(-c2n[nH]cc2CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)cc1 668576643 QKGFHRCNDBSKCA-DOTOQJQBSA-N 354.414 1.818 0 40 FDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CC[C@H](n2cccn2)C1 291184771 KWSUMOWNRSVNSL-ZWKOTPCHSA-N 352.438 1.890 0 40 FDAB CSCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096285 FKKJZPYTAGMLBP-LBPRGKRZSA-N 359.455 1.474 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CCOCC1)C2 585104177 MERVZSYVRZDNOH-SFHVURJKSA-N 360.454 1.736 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c2c1CCC2 685943582 YWIZCMWBSTWEOA-PMUMKWKESA-N 354.454 1.897 0 40 FDAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)CN1CSCC1=O 55591046 ITGZFNFMFUVZOD-UHFFFAOYSA-N 355.847 1.951 0 40 FDAB c1nc(N2CCOCC2)cc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 301509399 KBPOONWNARUOTE-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1O 1615109313 YCBUCJKGSFWBED-UPJWGTAASA-N 351.296 1.691 0 40 FDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1F 5103056 VAJNOUPEZLCNGA-LLVKDONJSA-N 355.329 1.985 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F 13073604 JWFAYINPNFMUNZ-UHFFFAOYSA-N 353.327 1.731 0 40 FDAB O=S(=O)(Cc1ccccc1)NCCNS(=O)(=O)Cc1ccccc1 14093286 KAVSBIOVBDWIRW-UHFFFAOYSA-N 368.480 1.226 0 40 FDAB CNc1cc([C@H]2CCCN(C(=O)CNC(C)=O)C2)nc(-c2cccnc2)n1 19021308 JXMBCNOYKUDLQF-HNNXBMFYSA-N 368.441 1.422 0 40 FDAB O=S(=O)(NCCc1cnccn1)c1cc2c(cc1Cl)OCCO2 19403721 POHVKDRZYVMMTI-UHFFFAOYSA-N 355.803 1.422 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496057 CHTPIMHENCHKKT-GASCZTMLSA-N 373.501 1.518 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)C[C@H]1C(=O)NCCN1C1CCCC1 19577708 GKHJVCCMQUWCCZ-KRWDZBQOSA-N 361.490 1.128 0 40 FDAB CCS(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19698069 GCKVFOKIROOGAI-UHFFFAOYSA-N 368.503 1.892 0 40 FDAB N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O)C(=O)O 5027201 ODZCNACBSGCAKO-PSASIEDQSA-N 362.329 1.482 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccccc2O1 7307327 RCZDLRNFYPXFSS-QGZVFWFLSA-N 358.419 1.617 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)ccc21 13306779 MHXWYNUVQFQNQA-CYBMUJFWSA-N 352.412 1.081 0 40 FDAB COC(=O)c1ccc([C@@H]2SCC(=O)N2CCN2CCOCC2)cc1 19898667 IAGJKMGNAOTMCD-INIZCTEOSA-N 350.440 1.379 0 40 FDAB O=C(NCCS(=O)(=O)NC1CCCCCC1)c1ccc2c(c1)OCO2 4941070 IZNAQNVSYQWDJV-UHFFFAOYSA-N 368.455 1.787 0 40 FDAB Cc1ccc(NCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9763927 SZISCUCASRSLCF-UHFFFAOYSA-N 366.425 1.415 0 40 FDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(C)=O)CC1 11694371 SAXRMOAWRKBQIP-UHFFFAOYSA-N 360.389 1.714 0 40 FDAB Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)no1 23134592 VEWHFRNPZGHEOK-UHFFFAOYSA-N 371.376 1.056 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCc1nccnc1-c1ccco1 575619688 OVSPFPBJXZZBPO-UHFFFAOYSA-N 350.334 1.961 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 2298180928 UAJRRBOFYSORDK-IRXDYDNUSA-N 361.490 1.047 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 75155465 BWMSJGDQZQKGLZ-OAHLLOKOSA-N 354.384 1.206 0 40 FDAB C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 77184638 AIEKDLMGHKLRQP-IBGZPJMESA-N 374.368 1.195 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1 40106523 FARAKFZXONMIHT-UHFFFAOYSA-N 352.387 1.904 0 40 FDAB O=C1C[C@H](N2CCN(Cc3ccc(Cl)s3)CC2)C(=O)N1C1CC1 102616245 ZBHYXISNHKRXTG-ZDUSSCGKSA-N 353.875 1.809 0 40 FDAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCC(F)(F)F 22039936 LBWITYISIVQKMS-UHFFFAOYSA-N 359.348 1.211 0 40 FDAB Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)no1 12252345 OAHOUTLWYSGFFS-GOSISDBHSA-N 370.365 1.541 0 40 FDAB COc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 2952120 IGKRAQOZWDHVKW-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 22624777 URENHBMGLRTNCV-GFCCVEGCSA-N 368.480 1.991 0 40 FDAB O[C@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1O 4789437 IUJRWTGQTYKGLM-SWBPCFCJSA-N 360.406 1.228 0 40 FDAB Cc1c(/C=c2/sc3n(c2=O)[C@@H]2C[C@](C)(N=3)Oc3ccccc32)cnn1C 6527520 QQZNDXLBEXIGRZ-FEHRXHEMSA-N 366.446 1.502 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 54323012 GDQRHMOGLOHNOO-MRXNPFEDSA-N 366.465 1.902 0 40 FDAB COc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 25229905 INMHGJNEQBDXEC-SJLPKXTDSA-N 363.458 1.232 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35485410 LJLIHYGJICFFQT-CFEDGUPZSA-N 355.438 1.844 0 40 FDAB CSc1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 10054613 SFFBOFWXVWJHKL-NSHDSACASA-N 351.453 1.511 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 58180352 QNSXYIAYOIEIIM-ZDUSSCGKSA-N 361.446 1.275 0 40 FDAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 58197909 UKBOMFUJEFVHAK-MRXNPFEDSA-N 373.497 1.797 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)c2cnc3sccn3c2=O)ccn1 58391721 CAUZSLUGXQIBII-UHFFFAOYSA-N 366.406 1.575 0 40 FDAB CNC(=O)CN1CCN(c2nc(C)c(Cc3ccccc3)c(C)n2)CC1 72307818 JVZBURGTPWGYCM-UHFFFAOYSA-N 353.470 1.552 0 40 FDAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCCO2 20152521 UFMQKUANHCVMFR-UHFFFAOYSA-N 374.374 1.988 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccccc1)O2 38832803 BAVKQRPAQHAHAM-QGZVFWFLSA-N 360.435 1.838 0 40 FDAB CC(=O)N1CCN(Cc2nc(-c3ccc(O)c(C(N)=O)c3)cs2)CC1 63864439 PNYMBQKKGVTODG-UHFFFAOYSA-N 360.439 1.279 0 40 FDAB CC(C)[C@@H]1NC(=O)N(CC2=N[C@H]3[C@@H](C=NN3c3ccccc3)C(O)=N2)C1=O 13691569 VKTFYZZYQLGMTA-VHDGCEQUSA-N 368.397 1.380 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3ccccc3[nH]2)CC1 13721835 LINJXYVKFHEMIL-ZDUSSCGKSA-N 372.425 1.587 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 6226501 MAALTPGWFJMXRO-UHFFFAOYSA-N 370.814 1.958 0 40 FDAB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 5232636 AVPWHIPYUWBZOW-LQKXBSAESA-N 370.405 1.897 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(NS(C)(=O)=O)CC2)c1C 14075140 IFYVHLYBYYHQNE-GFCCVEGCSA-N 369.487 1.419 0 40 FDAB CC(C)CNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6661133 LFYSIUGWCNZUDL-UHFFFAOYSA-N 353.444 1.409 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 9304855 UYBDWKKGNXHDBF-AWEZNQCLSA-N 357.410 1.588 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306124793 BZSVRDYSAUPBIR-AWEZNQCLSA-N 367.471 1.307 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCc3ccccc31)CS2 5877386 LIYASVZTONEPMI-KDOFPFPSSA-N 360.435 1.573 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(OC)cc(=O)[nH]2)cc1 4999462 JIJHRLIWKGXRAW-SECBINFHSA-N 363.395 1.684 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)c2cccc(N(C)C)c2)c(=O)[nH]c1=O 8393013 BLXSQTLKSZCRNX-UHFFFAOYSA-N 373.457 1.652 0 40 FDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CCCC1 9678037 CGAUBUPJWNCMEU-UHFFFAOYSA-N 370.405 1.399 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H](C)CO 95349465 HDVVAMITKZBYRI-KGLIPLIRSA-N 354.472 1.669 0 40 FDAB C[C@H]1CCc2[nH]c3c(C(=O)OCC(=O)N4CCNC(=O)C4)cccc3c2C1 84700181 FHDUKKMEYQKFNY-LBPRGKRZSA-N 369.421 1.408 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2noc(C3CC3)n2)CCCC1 95406615 YVGBCQDIJBKBQG-LLVKDONJSA-N 354.432 1.203 0 40 FDAB COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1C 95477266 PGJOUJMTFZHSPU-LBPRGKRZSA-N 358.383 1.453 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)c(C)c1 408555311 WLIVOKSFCDFMHY-MRXNPFEDSA-N 368.499 1.511 0 40 FDAB CC(C)(C)c1nnc(CNS(=O)(=O)c2cccc(CC(=O)O)c2)s1 515299697 WBZOICRQMRZYEE-UHFFFAOYSA-N 369.468 1.941 0 40 FDAB O=C(N1CCCC1)N1CCC(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)CC1 530076016 MVXVJXYUTZJXFC-MRXNPFEDSA-N 373.457 1.774 0 40 FDAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35380433 XEPMBUIGQIHSGV-FHWLQOOXSA-N 373.497 1.527 0 40 FDAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 72401039 LNJABCBZESVVRP-UHFFFAOYSA-N 352.350 1.726 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)C1(c2ccccc2)CC1 72341028 VHOAGMYRMTUHAE-UHFFFAOYSA-N 355.423 1.339 0 40 FDAB CC(C)NC(=O)CN(C)Cc1nc([C@H](C)CNC(=O)c2ccccc2)no1 558332878 KGMMZEHHKLVJNQ-CQSZACIVSA-N 373.457 1.560 0 40 FDAB CC(C)c1ccc(NC(=O)COC(=O)CCn2ccc(=O)[nH]c2=O)cc1 75490453 PFMLJYGAMTXSHH-UHFFFAOYSA-N 359.382 1.232 0 40 FDAB Cc1ccc(CN(CC(=O)N(C)[C@@H]2CCCC[C@H]2O)S(C)(=O)=O)cc1 223423909 DFVLYGPUNZUUCM-IAGOWNOFSA-N 368.499 1.519 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cnccn1 75161872 GHDGJXIDJZXHOQ-UHFFFAOYSA-N 361.409 1.846 0 40 FDAB CC(C)(C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224493986 FCLKUCKXEGDQCQ-UHFFFAOYSA-N 370.471 1.249 0 40 FDAB CC(C)c1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)cc1 222662861 PDZCDNVOSYUCCN-UHFFFAOYSA-N 373.409 1.180 0 40 FDAB O=C(N[C@@H]1COc2ccccc2C1)N[C@@H]1CCCN(c2ncccn2)C1 47094189 GAZOEHXXUZCWQN-CVEARBPZSA-N 353.426 1.748 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 96226419 AIYXTIWHEJMGJJ-INIZCTEOSA-N 355.435 1.384 0 40 FDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1 96069071 DQAHWLLXTULHRE-JKSUJKDBSA-N 350.390 1.145 0 40 FDAB CCN1C[C@H](COC)[C@]2(CCN(S(=O)(=O)c3ccccc3C)C2)C1 96209877 CRDLSEHSHUHNDV-SJLPKXTDSA-N 352.500 1.974 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CN(Cc1cccs1)CC2 96254007 DRALONWRHQRQEE-UHFFFAOYSA-N 359.499 1.999 0 40 FDAB Cc1nnc2ccc(N(C)C[C@@H]3CCCN(C)[C@H]3c3cncn3C)nn12 583618166 JRLTZYOLUCYCIM-KBXCAEBGSA-N 354.462 1.686 0 40 FDAB COC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)N1S(C)(=O)=O 96209355 UOEISLPMHXYLIV-INIZCTEOSA-N 353.488 1.487 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cccs1)CC2 247846912 NDAJECBOTRGRBC-ZDUSSCGKSA-N 372.512 1.508 0 40 FDAB CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 252516237 QQORDIVNAUQYLG-BFHYXJOUSA-N 362.289 1.941 0 40 FDAB Cc1c(CCC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cnn1C 257298238 RKURDHPTHNKZBA-KRWDZBQOSA-N 357.458 1.499 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 257214159 CKVGNUUOEIEXLI-CQSZACIVSA-N 356.382 1.503 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NCCc2cccc(O)c2)CC1 263714160 BXKPUHJFAFGDNP-UHFFFAOYSA-N 355.460 1.048 0 40 FDAB C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCCC1CCS(=O)(=O)CC1 623833922 CLDFZZDXMWBIGQ-ZYHUDNBSSA-N 372.409 1.563 0 40 FDAB O=S(=O)(Cc1cccc2c1OC(F)(F)O2)C[C@@H](O)Cn1cccn1 629326702 PMQQPEIPVMSTHP-NSHDSACASA-N 360.338 1.181 0 40 FDAB COc1cccc([C@H](NC(=O)C2CCN(c3cnccn3)CC2)C(=O)O)c1 659174013 DNTKMKBCLWPACP-KRWDZBQOSA-N 370.409 1.644 0 40 FDAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(c2ccc(=O)n(C)n2)C1 75166430 JQIRXZIRWZRIDE-MRXNPFEDSA-N 370.453 1.364 0 40 FDAB CCC(CC)[C@H](N)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H](C(=O)OC)[C@@H]1O 165251269 SECXLAHYOAZIGA-AICCOOGYSA-N 358.479 1.813 0 40 FDAB Cc1cc(C(=O)N2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)[nH]n1 95998261 NCLGKWHTIMLMOE-CYBMUJFWSA-N 373.379 1.029 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C(C)(C)C)C[C@@H]23)n1 1549162086 NLYDENMDQDNJHL-CYBMUJFWSA-N 359.430 1.053 0 40 FDAB COc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 943902 ISMGMIDPVZVLRZ-RVDMUPIBSA-N 363.398 1.735 0 40 FDAB O=C1NN=C(CC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)[C@@H]2C=CC=C[C@H]12 12143286 DICXLGDPYJHMFC-MJQMVNBJSA-N 365.433 1.598 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12406931 XBXYQVVSXFTBBA-GXFFZTMASA-N 351.357 1.947 0 40 FDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)[C@H](C)N1CCCC1=O)CC3 13227968 WICPZZPGRRRYNR-LBPRGKRZSA-N 374.466 1.162 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Br)cc1 13816695 MERMPYOXTHXNQP-UHFFFAOYSA-N 374.198 1.736 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3nnnn3C)c2)c1C 14516127 LKPUQSCSWGPJFK-UHFFFAOYSA-N 354.370 1.861 0 40 FDAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19460471 LMSTUVOHDMVGER-TZMCWYRMSA-N 358.442 1.170 0 40 FDAB COc1c(C)cccc1C(=O)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 19709236 QSUXIXGDAPPFHQ-OAHLLOKOSA-N 369.469 1.761 0 40 FDAB COc1ccc(Cl)c(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)c1 647930248 VYOMHTUPVPOWQS-ZDUSSCGKSA-N 370.814 1.718 0 40 FDAB CC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 3534400 SKWXICPVTGSGFB-HNNXBMFYSA-N 359.451 1.342 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1Cl 6434857 ILMDAVMKSQZANJ-UHFFFAOYSA-N 358.829 1.814 0 40 FDAB Cn1cc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1 1888888106 JVQPYXANVCQUJS-UHFFFAOYSA-N 351.414 1.755 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)ncc1F 1888903881 MIWNLBWHWAFWMW-CHWSQXEVSA-N 367.388 1.175 0 40 FDAB COC(=O)C1=CN(Cc2nc(-c3ccccc3)no2)S(=O)(=O)N=C1C 1888930377 HIOJFMCOPAIDAA-UHFFFAOYSA-N 362.367 1.315 0 40 FDAB C[C@@H]1C(=O)N(CC(=O)NC[C@H]2CCCO2)C(=O)N1c1ccc(Cl)cc1 21269597 SOAKFBUCUXZIAB-BXUZGUMPSA-N 365.817 1.792 0 40 FDAB COCCCNC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O 21270063 QJEQXLILJQDNIZ-LLVKDONJSA-N 353.806 1.650 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 22021454 WRILXSZSSBCTRO-UHFFFAOYSA-N 365.396 1.311 0 40 FDAB Cc1c(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cnn1C 2037840463 NEBDZUHLOVYKTE-LJQANCHMSA-N 354.410 1.377 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(c3ncnc4[nH]cnc34)CC2)cn1 2037843781 JHGULEDSHIYUDJ-UHFFFAOYSA-N 366.429 1.238 0 40 FDAB CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(Br)c(F)c1 282000683 MBQBUUIDFPCHHU-UHFFFAOYSA-N 365.224 1.487 0 40 FDAB CCN=c1ccnc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)[nH]1 2087126172 MEFURRZHVGOQOX-UHFFFAOYSA-N 355.490 1.265 0 40 FDAB c1cc(-c2ccc(N3CCN(c4nccn5nccc45)CC3)nn2)ccn1 1775974714 MKTXZUPFIJEMJC-UHFFFAOYSA-N 358.409 1.908 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccoc1)c1ccco1 618255135 MDEIXJQIRMZCLA-HNNXBMFYSA-N 352.368 1.692 0 40 FDAB CN(CC(=O)NCc1ccc(COCC(F)(F)F)cc1)S(C)(=O)=O 40074015 YVLBNRQAXAQPDK-UHFFFAOYSA-N 368.377 1.273 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 102259708 BERLLYQWCZKKNP-NXEZZACHSA-N 365.411 1.434 0 40 FDAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 32923839 AQBZHGGCMRPACB-HNNXBMFYSA-N 355.394 1.738 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)c2ccccc2O1 41785241 VRAQBJWUAQVOPV-MSOLQXFVSA-N 365.389 1.720 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CSc1nnnn1CCc1cccs1 8938597 XTKWJLSEWLGOCA-UHFFFAOYSA-N 368.488 1.694 0 40 FDAB COc1ccc(-c2nc(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)cs2)cc1 12409985 JXWDNCBCLDQZSS-GFCCVEGCSA-N 364.448 1.788 0 40 FDAB CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 1367542 WEHCRSJTAKICQW-UHFFFAOYSA-N 366.892 1.304 0 40 FDAB Cc1ccc(SCC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 79022163 BHVYACROZGHVPF-UHFFFAOYSA-N 369.468 1.311 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 23195625 RYLOZEUOZJBQCK-UHFFFAOYSA-N 363.439 1.378 0 40 FDAB O[C@@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc(-c4ccccc4)cc3)CO[C@H]12 4259468 MEKYWEJRENQVCP-BSDSXHPESA-N 350.378 1.707 0 40 FDAB biogenic,in-vitro O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4349666 YXNBHSFRFDRSLQ-MQYQWHSLSA-N 368.430 1.001 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccncc3)CC1)C2=O 23641280 VBNYDCDDJKBYGP-DNVCBOLYSA-N 357.458 1.662 0 40 FDAB O=C1CC(=O)NC(NN2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)=N1 6568061 HQYNFWCLLKWBHR-RVDMUPIBSA-N 373.372 1.224 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 10078113 JZNLRMYSLCCACQ-UHFFFAOYSA-N 352.394 1.728 0 40 FDAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)c1 8474376 AAHMPDHQUYIIQN-UHFFFAOYSA-N 363.395 2.000 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccs1 8982687 HANHWIWOZPHKMJ-MRVPVSSYSA-N 351.409 1.317 0 40 FDAB CCOC(=O)C1(NC(=O)C2CCN(S(=O)(=O)CC)CC2)CCCC1 56369581 PESMORFTCBVPFH-UHFFFAOYSA-N 360.476 1.040 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1 58150936 DBNJYBQSOJDOFI-OAHLLOKOSA-N 353.382 1.678 0 40 FDAB C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(C(F)(F)F)cc1 24744517 XMOMCNBKTGXHHO-JTQLQIEISA-N 355.316 1.443 0 40 FDAB CC[C@H]1CCc2nc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)sc2C1 58201093 PBKYRQWFCJOUPT-IOCXFXADSA-N 374.466 1.707 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 12643320 SWSLBSRRZKBUPE-ZIAGYGMSSA-N 366.373 1.845 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1c[nH]c(C(=O)N2CCCC2)c1 48235589 SFFFFQWKRPOPHQ-UHFFFAOYSA-N 365.397 1.156 0 40 FDAB C[C@]1(C(=O)N2CCN(C(=O)c3ccco3)CC2)Cc2ccccc2C(=O)O1 23078379 FOQWTYFQMVZJJV-HXUWFJFHSA-N 368.389 1.736 0 40 FDAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)NCC1CC1 36396065 SUEGKHOBGHSTRP-UHFFFAOYSA-N 373.858 1.942 0 40 FDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1 58207694 UPEPIQWERLBCFN-UHFFFAOYSA-N 363.501 1.825 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncccc2C)cc1 29341107 XVLMXPJATYZDBG-UHFFFAOYSA-N 361.423 1.852 0 40 FDAB CCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)s1 12933753 JZAVKLNTCGZRFG-UHFFFAOYSA-N 371.488 1.768 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCc3ccc(F)cc3)nc2n1 5021294 VLYAIJKVQQYZQG-UHFFFAOYSA-N 357.345 1.353 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 5054951 CMVYIFGVTBMSDP-OAHLLOKOSA-N 364.745 1.648 0 40 FDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCc3nnc4ccccn34)C2)n1 95473857 QQALEDLQFSKYKC-HNNXBMFYSA-N 365.441 1.669 0 40 FDAB Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)NCc1ccccc1 14119870 ZXLJRSHHVTYITQ-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 4514876 YWVWJHCTXWOTSF-DJJJIMSYSA-N 359.426 1.812 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1O 9313469 GQQQOBWGGAPKTP-UHFFFAOYSA-N 365.411 1.004 0 40 FDAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCO1 7033720 FFBLOTHEOSXIAM-LLVKDONJSA-N 353.172 1.679 0 40 FDAB C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 7486455 HRGNUJXHYWJPBL-MRXNPFEDSA-N 365.499 1.394 0 40 FDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 68022418 KDAHSVJQLFASAN-LZLYRXPVSA-N 373.497 1.887 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC[C@H]1C 16484616 DPAUDFIXTMDZIC-CYBMUJFWSA-N 369.487 1.758 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(OC)c(OC)c1 17306803 FJCIWABIWSWSPH-UHFFFAOYSA-N 369.399 1.082 0 40 FDAB O=C(CNC(=O)c1ccco1)NCC(=O)Nc1cccc2cccnc12 8729231 CTMKRAOTHISFGX-UHFFFAOYSA-N 352.350 1.313 0 40 FDAB CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2C)CC1 8778746 IYGGTUJAJIXVSV-UHFFFAOYSA-N 362.455 1.966 0 40 FDAB Cc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cccc1-n1cnnn1 9914119 DOYZEYRKWQHEAA-UHFFFAOYSA-N 373.394 1.543 0 40 FDAB COCCN1CC[C@@]2(c3ccccc3)CCN(C(=O)COC)[C@@H]2CC1=O 306142710 XGZAGZILHHUFGW-XLIONFOSSA-N 360.454 1.441 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)n(C)n1 306127094 FOIAJNSWIGFRPN-MRXNPFEDSA-N 356.474 1.478 0 40 FDAB O=C(CC1(n2cccc2)CCOCC1)NC1CCN(C(=O)C2CC2)CC1 524735756 WWFGFZMRMAUWPG-UHFFFAOYSA-N 359.470 1.901 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](CCNS(C)(=O)=O)C1 306144357 ZDIYKBVAZXSZRG-AWEZNQCLSA-N 367.475 1.059 0 40 FDAB C[C@]1(C(=O)N2CCC(CS(N)(=O)=O)CC2)CCc2ccccc2C1 79993347 MAMGRUSVQYXVIG-SFHVURJKSA-N 350.484 1.709 0 40 FDAB COc1cccc(-c2c3c(=O)n(CCCO)ccc3nc3ncnn23)c1 40398247 WKUCTHRIRSKVSR-UHFFFAOYSA-N 351.366 1.497 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 195530638 FXOLBQXCYHZAPZ-PQOPVJTESA-N 351.443 1.497 0 40 FDAB Cn1nc(C2CCN(C(=O)Cn3cccc3)CC2)n(-c2ccccc2)c1=O 77146581 NXHFFQXPTRFPDQ-UHFFFAOYSA-N 365.437 1.779 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)NCCSc2ncn[nH]2)c1 225968964 MXWBHMUMXDCNEP-UHFFFAOYSA-N 355.445 1.088 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)C(C)C)C2 96036179 KZTMENKLUMTJFE-FQEVSTJZSA-N 358.486 1.620 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccncc1)CCN(C(=O)C(C)C)C2 96036180 DNVIDCWJJDDRHY-HXUWFJFHSA-N 358.486 1.620 0 40 FDAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3cncs3)C2)c(=O)c1 583618130 FHFJIEZIJQNFPU-CQSZACIVSA-N 363.487 1.620 0 40 FDAB Cc1cc(C)n(C(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(F)cc2)n1 98212031 ZZGGWNIQOTXKJL-UHFFFAOYSA-N 363.374 1.851 0 40 FDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@@H](COCC1CCOCC1)C2 96106072 SWFNRPIMOUFHKG-QGZVFWFLSA-N 354.491 1.389 0 40 FDAB COc1ccc(CN2CCN(C(=O)C(C)C)C[C@]3(CC(=O)N(C)C3)C2)cc1 97952750 SHXGFACTWJZMQY-NRFANRHFSA-N 373.497 1.844 0 40 FDAB Cc1cccc(C(=O)N2CCCn3c(nc(CN4CCCC4)cc3=O)C2)n1 96059587 KMRSWPKUHLVTFZ-UHFFFAOYSA-N 367.453 1.589 0 40 FDAB O=C(COc1ccc(F)cc1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 247750141 VKCYORFTGMGUOJ-MRXNPFEDSA-N 373.384 1.834 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N2CC(Nc3ncccn3)C2)cc1 253473791 YKZVNAUEBOYFJA-UHFFFAOYSA-N 360.439 1.136 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@@]1(C)O 604383129 ODQLOWDKYIVXJT-CMKODMSKSA-N 360.454 1.642 0 40 FDAB biogenic,in-vitro Cc1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4)[C@@H]3O)ccc2n1C 257228128 FSKNFZIOZAOHFJ-KZNAEPCWSA-N 353.426 1.915 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cscn3)CC2)OC[C@]1(C)O 257324649 WPPGBCDXFUTMPA-HOTGVXAUSA-N 353.488 1.496 0 40 FDAB CCc1noc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)n1 26131740 AXJRCQWJNNSBEE-UHFFFAOYSA-N 355.276 1.108 0 40 FDAB CN(C)c1cccc([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 257276297 NTDBBQAZSJKHTN-MRXNPFEDSA-N 356.426 1.300 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CCc1ccnn1C 257271786 MZTNKVVEWHKIGF-IBGZPJMESA-N 357.458 1.238 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2cccnc2)C3)nc1 253600767 YKXALTWXYHGTJL-INIZCTEOSA-N 353.426 1.913 0 40 FDAB Cn1nccc1[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 281384351 UYEYAWXILFGEGI-RDTXWAMCSA-N 359.430 1.194 0 40 FDAB NC(=O)C1(CNc2ncccc2I)CCOCC1 611370675 OIYNXCSXSBELCT-UHFFFAOYSA-N 361.183 1.380 0 40 FDAB CCc1cc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)n(C)n1 635784090 ADIJGNZGIHPWKC-GOSISDBHSA-N 356.470 1.869 0 40 FDAB COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1 644473140 IBZLCFPNFLCIPA-ACJLOTCBSA-N 364.446 1.166 0 40 FDAB O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646648477 XAOYMTNZAFZTTE-HZMVEIRTSA-N 350.409 1.841 0 40 FDAB Cc1nc(N2CCO[C@@H](Cc3ccccc3)C2)sc1S(N)(=O)=O 669967790 UYHZETVBAXEIIL-ZDUSSCGKSA-N 353.469 1.547 0 40 FDAB O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 671609832 MZLJHICAEREQCS-MGPUTAFESA-N 371.437 1.088 0 40 FDAB COc1ccc(CC(=O)N2[C@H]3CCO[C@H]3C[C@@H]2C(=O)N(C)C)cc1F 1775960986 ZESXGBWLTCMGFI-LZWOXQAQSA-N 350.390 1.223 0 40 FDAB CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccnc(N(C)C)c3)C2)ccn1 1775959228 OOSQMRJBIASKFC-LJQANCHMSA-N 369.469 1.832 0 40 FDAB CN(C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575425141 YFBIFXRXJLBTGU-HNNXBMFYSA-N 368.480 1.494 0 40 FDAB Cc1cc(C)n([C@H](CNC(=O)CN2C(=O)CCC2=O)c2ccsc2)n1 575614240 QDOKFGLPJCVKEH-CQSZACIVSA-N 360.439 1.416 0 40 FDAB Cn1ccc(CC(=O)N2CCOC[C@@H]2c2nccc(N3CCCCC3)n2)n1 585113115 BQRBFVYPTAJAOY-MRXNPFEDSA-N 370.457 1.343 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)C[C@H](O)C1(C)C 585290212 OQKYUQKMFBYXKF-RTRPANQVSA-N 374.485 1.434 0 40 FDAB Cc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)c3cnn(C)c3)CCO[C@@H]2C1 585107928 FYVRGYMDGXSULT-FUHWJXTLSA-N 368.437 1.342 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3cncs3)ccc21 585274209 XMHQPTXGXRAXOK-UHFFFAOYSA-N 355.422 1.175 0 40 FDAB CN(C)c1ncc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 585275602 HBSTYUSWVAKBRD-IRXDYDNUSA-N 358.417 1.890 0 40 FDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2nn(C)c3c2CCC3)C1 585277824 YFIMRPFSUOBMGO-FQEVSTJZSA-N 355.438 1.873 0 40 FDAB CCN(Cc1c[nH]c2ccccc12)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 685940060 GZRHVFWFHOMHFR-IAGOWNOFSA-N 355.398 1.354 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2Br)CC1 20019432 YXLOJJOTOHKPHA-UHFFFAOYSA-N 363.233 1.083 0 40 FDAB COCCCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 5000046 ZJJSXXCUPYRMRJ-UHFFFAOYSA-N 367.405 1.305 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCCO4)cc2[nH]1 5252742 NOOFKQISPOTWEH-UHFFFAOYSA-N 361.379 1.818 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)Cn3nnc4ccccc43)C[C@H]21 12120050 RSMPBGBOAGPFRC-OCCSQVGLSA-N 364.409 1.011 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1F 12188467 GVAVEJHFFFKKTG-DOMZBBRYSA-N 356.419 1.466 0 40 FDAB O=C(c1cccc(Cl)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906328 HJLVYHIVUKRQDN-UHFFFAOYSA-N 369.816 1.673 0 40 FDAB C#CCOc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1OC 8091422 LLYVEFONNZRUIB-LCYFTJDESA-N 374.418 1.280 0 40 FDAB COc1ccc([C@@H](NC(=O)CN2CCCCC2=O)C(=O)O)cc1Cl 630188094 DRMYCWRRXWZHLP-OAHLLOKOSA-N 354.790 1.603 0 40 FDAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n(C)n1 11694281 VRRYARPEEZSYOT-UHFFFAOYSA-N 368.484 1.829 0 40 FDAB C[C@H]1C[C@@H](C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1 15881679 HOHXLQTXUIYSDO-GASCZTMLSA-N 362.478 1.027 0 40 FDAB CCc1cc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)nc(C)n1 1888866897 VXGPUSCEOALLOZ-UHFFFAOYSA-N 352.446 1.729 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c(C)o1 1888879687 XTPNGDWYNAUOID-OKILXGFUSA-N 366.425 1.782 0 40 FDAB CC(C)(C)c1cn2nc(N3CCN(CCn4ccnn4)CC3)ccc2n1 1888888325 KFUDZMAKGPYCPB-UHFFFAOYSA-N 354.462 1.441 0 40 FDAB Cc1nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)nc(O)c1F 1888888403 SFZYNFQHSKZPGD-UHFFFAOYSA-N 370.388 1.328 0 40 FDAB COCCn1cnc2c(N3CCN(c4ncc(Cl)cn4)CC3)ncnc21 1888897912 NPQCLDCCTYQTTG-UHFFFAOYSA-N 374.836 1.243 0 40 FDAB Cc1nc2c(c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)n1)CCC2 2086923638 LHRJOYXOXSSWBO-OAHLLOKOSA-N 366.412 1.737 0 40 FDAB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2cccs2)cc1 9571134 BEJUPPQZXYSWCJ-UHFFFAOYSA-N 365.440 1.601 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccncc4)cc1c32 9708737 DFJTTWZQOUINRY-GFCCVEGCSA-N 364.405 1.733 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1ccnnc1 2055745957 VKBWBNQPTNKBOD-CYBMUJFWSA-N 355.398 1.424 0 40 FDAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(=O)OC)cc1 85474464 MHGAVBHNJHFGQM-UHFFFAOYSA-N 353.396 1.904 0 40 FDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)C1CC1 20436011 PDWFLFVIIHQSPB-CYBMUJFWSA-N 352.412 1.361 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1nc(-c2cccs2)no1 40072422 LFXVNHCDWSGDNB-NSHDSACASA-N 356.473 1.702 0 40 FDAB CCCS(=O)(=O)Nc1ccccc1C(=O)NCC(=O)N1CCCC1 40157202 QPNPEIPLKMBQQF-UHFFFAOYSA-N 353.444 1.191 0 40 FDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21 40122577 ZMFCBNSVAFYVLL-HOCLYGCPSA-N 357.454 1.634 0 40 FDAB CN(C(=O)c1csc(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 30870151 WTTVHWROKBQGFJ-ZDUSSCGKSA-N 350.465 1.993 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 31649848 RAZDWKSHVSFQLJ-ZDUSSCGKSA-N 360.341 1.589 0 40 FDAB O=C1CCc2cc(OC(=O)CN3C(=O)c4ccccc4C3=O)ccc2N1 32894273 NCLRAINHQGPGBC-UHFFFAOYSA-N 350.330 1.773 0 40 FDAB O=C1N[C@@H]2CS(=O)(=O)[C@H](CCCCC(=O)OCc3ccccc3)[C@H]2N1 32854414 GOBJAJZVGPZALB-FMKPAKJESA-N 366.439 1.137 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c12 102613073 KQDWBQAGZRGCRP-CCXSFMJYSA-N 366.299 1.952 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)O[C@H](C)C1 32975476 KOYSBYBFTVXWFF-ZENOOKHLSA-N 372.462 1.764 0 40 FDAB CCOc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 52845413 HQWFSMDHORMSDT-KRWDZBQOSA-N 351.472 1.418 0 40 FDAB O=c1[nH]c2nc(NCc3ccccn3)ncc2c(=O)n1-c1cccc(F)c1 102911536 MBXAARXJIRHYFR-UHFFFAOYSA-N 364.340 1.615 0 40 FDAB COC(=O)c1cc(OC)ccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103770698 BJYCDPQIIBDFMP-BETUJISGSA-N 374.393 1.596 0 40 FDAB CCOP(=O)(OCC)[C@@H](C(=O)OC)C(=O)C(=O)Nc1cccc(O)c1 1631444 JPCOBXXWQUIDQT-CYBMUJFWSA-N 373.298 1.708 0 40 FDAB NC(=O)[C@H](c1ccccc1)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 23249138 KLYARJHFHKAUKD-HDICACEKSA-N 352.438 1.057 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nnc([C@H]2CCCO2)s1 61720831 DNCOROVDSUDNBD-GFCCVEGCSA-N 361.427 1.464 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCOc2ccccc21 7269094 NJBLGBZRMABDMP-AWEZNQCLSA-N 357.410 1.881 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cccc(C)c2O)CC1 12566976 KTPWDKCKIYQSRJ-UHFFFAOYSA-N 364.398 1.595 0 40 FDAB COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1 1409271 DRRZNTKYIFPIEF-UHFFFAOYSA-N 372.381 1.594 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCN(CC3CC3)CC2)c1 58162982 JRUVUEBVBRQEDR-OAHLLOKOSA-N 373.501 1.865 0 40 FDAB O=C(CCSc1nnnn1C[C@H]1CCCO1)NCCc1ccccc1 58224545 DVTJVKARTPYDQL-OAHLLOKOSA-N 361.471 1.693 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 12744985 TUFNETMYFGEPGH-UHFFFAOYSA-N 352.350 1.610 0 40 FDAB CC(C)Nc1nnc(SCC(=O)N(C)CC(=O)NC(C)(C)C)s1 11151514 LQTZCBRWCYEJPS-UHFFFAOYSA-N 359.521 1.824 0 40 FDAB O=C(NCc1nnc2n1CCC2)c1cnc2c(cnn2Cc2ccccc2)c1 12783135 JQNZJBAZOHVMNZ-UHFFFAOYSA-N 373.420 1.947 0 40 FDAB COc1cccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1 3368671 AVYCBKSUUPIMQM-UHFFFAOYSA-N 367.361 1.738 0 40 FDAB CCCn1c(C(=O)Nc2ccccc2F)cc2c(=O)n(C)c(=O)n(C)c21 11845323 TVZCLSIYLBGRSF-UHFFFAOYSA-N 358.373 1.840 0 40 FDAB C[C@@H]1C[C@H](Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C(=O)O1 12898303 IHOPFCXVLBGJDO-PELKAZGASA-N 356.425 1.874 0 40 FDAB Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C1CC1 29959276 BSHQDSPQXCKZPV-CQSZACIVSA-N 359.451 1.975 0 40 FDAB CC(C)c1noc(CCCC(=O)N2CCC(NS(C)(=O)=O)CC2)n1 46743237 ALXPHSNIGOGJKQ-UHFFFAOYSA-N 358.464 1.056 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12808545 GIWRAMVETNHTPF-AAEUAGOBSA-N 365.503 1.818 0 40 FDAB CCCc1nnc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)s1 12928075 OUCRWSGNRCMGQI-UHFFFAOYSA-N 359.411 1.523 0 40 FDAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN[C@@H](C(N)=O)C3)c12 14158512 OCTIZJYAOPEDNF-CYBMUJFWSA-N 353.451 1.930 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14110150 YZCCNFZTBSMCEK-FRRDWIJNSA-N 368.455 1.192 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(C)s1 4699126 YQDHJSWKNQPTEB-LBPRGKRZSA-N 351.453 1.839 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cn3ccccc3n1)C2=O 9318244 RHNGZYLCNURRMH-BFUOFWGJSA-N 369.425 1.451 0 40 FDAB C[C@]1(O)C[C@H](C[C@@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2)OC1=O 15212183 UMYAEKVHXDURJS-OYYCAODRSA-N 360.362 1.786 0 40 FDAB biogenic COCCNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 9481575 RFAMRSWGLPOAHX-AWEZNQCLSA-N 369.421 1.879 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H](CCSC)NC(N)=O 7274867 CJDNEBMKDQNARW-NSHDSACASA-N 371.459 1.119 0 40 FDAB C[C@@H]1c2cccn2CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 72274623 VXTWNCDFMGMCKU-IAQYHMDHSA-N 356.348 1.965 0 40 FDAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(c2ccccn2)CC1 9575514 UBUDCZKLGYZUPT-UHFFFAOYSA-N 352.442 1.437 0 40 FDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccc(F)cc1 8768333 WJSPTVFIANNMOD-UHFFFAOYSA-N 362.382 1.541 0 40 FDAB COc1ccccc1NC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1C 96765616 IIGXXWXURCOJDP-SVGWRPMHSA-N 372.471 1.765 0 40 FDAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)O 72328119 AFALGGRBXJTVGU-UHFFFAOYSA-N 350.400 1.413 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)n1 306127250 FTCMEUXJTILNED-INIZCTEOSA-N 361.471 1.225 0 40 FDAB CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1n[nH]cc1C(=O)O 548827467 KSMVBHKPRRZKIF-SNVBAGLBSA-N 353.400 1.888 0 40 FDAB CN1CCN(C(=O)CSc2n[nH]c(COc3ccccc3F)n2)CC1 408559390 ZOOWNTJCIKWVQY-UHFFFAOYSA-N 365.434 1.389 0 40 FDAB COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccn2c(O)nnc12 509018588 RRVMDVHEKCGFIV-UHFFFAOYSA-N 355.354 1.398 0 40 FDAB CCc1ncnc(N2CC[C@@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)c1F 1049252623 JSAAAKWVXBZZJQ-OLZOCXBDSA-N 358.421 1.510 0 40 FDAB C[C@H](Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)O)c1ccccc1 217590263 YLFXERAHUVEIMH-LBPRGKRZSA-N 364.423 1.829 0 40 FDAB CN1CCn2c(nnc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 72374013 HKBWHJALFMRMPW-OAHLLOKOSA-N 361.471 1.639 0 40 FDAB CC(C)OC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 72347688 ROEWJYKYYRBGNP-UHFFFAOYSA-N 353.382 1.826 0 40 FDAB CCc1nccn1-c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72378765 QPLBNDKTXILOFI-UHFFFAOYSA-N 363.487 1.816 0 40 FDAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71280958 ADXGZJWIAURJTH-DLBZAZTESA-N 372.421 1.860 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nccnc1C(=O)O 71283558 IRJIMLUGEIYGFD-UHFFFAOYSA-N 351.366 1.907 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN(C)C)cc1 223830132 NILACAKMELSQLJ-UHFFFAOYSA-N 359.517 1.097 0 40 FDAB O=S(=O)(c1cccnc1)N1CC(c2nc(Cc3cccs3)no2)C1 75156438 LZHMRCWOASCROE-UHFFFAOYSA-N 362.436 1.905 0 40 FDAB CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)C1CCCC1 44901361 RDXQHRIIUOIJPT-UHFFFAOYSA-N 368.455 1.625 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1nnn(-c2ccc(Cl)cc2)n1 77100344 OHSVOAKZXDLDBS-UHFFFAOYSA-N 367.760 1.544 0 40 FDAB O=C([C@H]1CN(CC2CCOCC2)CC12CCOCC2)N1CCOCC1 96052235 PAPDKYGMFIYKNF-QGZVFWFLSA-N 352.475 1.000 0 40 FDAB CC(C)NC(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 96225341 WOGMYLNIVNKPBX-GOSISDBHSA-N 359.430 1.427 0 40 FDAB CCn1nc(C)c(NC(=O)c2cccc(OCc3nnnn3C)c2)c1C 96193037 HBLSAHFSFDCHCR-UHFFFAOYSA-N 355.402 1.875 0 40 FDAB CCCS(=O)(=O)N1CC[C@]2(CN(c3ccsc3)C(=O)CN2C)C1 96237690 RECJHRUEMAUADM-OAHLLOKOSA-N 357.501 1.211 0 40 FDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(CC1CCOCC1)C2 96056976 JHGJDBLYCCRSOZ-IEBWSBKVSA-N 354.491 1.389 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccsc1)CC2 247900960 VUJGWAIGNZMZPX-OAHLLOKOSA-N 358.529 1.868 0 40 FDAB O=C(COc1ccc2c(c1)C(=O)CC2)N[C@H](Cc1ccc(O)cc1)C(=O)O 256028229 ZIAJIBINIWULGC-QGZVFWFLSA-N 369.373 1.712 0 40 FDAB COCc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)c1 257276911 NVQPDQLZKNXFCU-IBGZPJMESA-N 356.426 1.336 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3F)nc2)CCO1 257226011 FITQPMLYZZKRDA-LJQANCHMSA-N 357.385 1.528 0 40 FDAB Cn1cncc1-c1cncc(C[C@@H]2CCCN(CC3(O)CCOCC3)C2)n1 257339065 ZABQZDOPAOJGJC-INIZCTEOSA-N 371.485 1.673 0 40 FDAB Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)CCN)CC3)c2n1 257235980 HAINLRHFLWSFCZ-UHFFFAOYSA-N 357.458 1.077 0 40 FDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)c(C)n1 257295980 RARHVODNQBFUNY-HZPDHXFCSA-N 359.382 1.174 0 40 FDAB C[C@H]1CN(CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@@H](C)O1 547858901 PWHWBJBICYWAMJ-IYBDPMFKSA-N 350.459 1.939 0 40 FDAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccc(Cl)cc1 594377391 YESCAENSHVIPFK-VHDGCEQUSA-N 364.829 1.581 0 40 FDAB C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](c2ccccc2)CO1 608256699 DTMPJLGYWMUCBI-KBXCAEBGSA-N 364.405 1.780 0 40 FDAB CS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)C1 1116129189 HLYKZWIBWFANRK-ZJUUUORDSA-N 369.468 1.946 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1F 644577544 QJQCUQRTXCRZSQ-CQSZACIVSA-N 359.419 1.681 0 40 FDAB NS(=O)(=O)c1ccc(N2CCOCC3(CCCC3)C2)c(C(=O)O)c1 649397794 OLWYXNCUGQQHSZ-UHFFFAOYSA-N 354.428 1.429 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@](F)(c2ccccc2)C1 669880783 BEEDGDQFOZQNIH-RDJZCZTQSA-N 354.447 1.898 0 40 FDAB CS(=O)(=O)NC1CC(Nc2nc(-c3cccnc3)nc3c2CCC3)C1 669827648 QGEUETIBTPXBHY-UHFFFAOYSA-N 359.455 1.519 0 40 FDAB O[C@@H](CNc1nc(-c2ccco2)nc2c1CCNCC2)c1cccnc1 72477225 IYYRVMLFSWWFSD-INIZCTEOSA-N 351.410 1.965 0 40 FDAB O=C(CN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2)N1CCOCC1 91518574 MEHVDOCXFUJLJQ-PKOBYXMFSA-N 361.461 1.581 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1CN(C(=O)CC2CC2)Cc2cncn21 585095919 CCPKGHLSGODJNW-INIZCTEOSA-N 358.467 1.987 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2cncn21 585096010 KDTKXADKSVLKAZ-OAHLLOKOSA-N 370.438 1.224 0 40 FDAB Cc1cc(C)n(CCC(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)n1 585277290 HNLGDPGRLYDTIV-HXUWFJFHSA-N 357.454 1.723 0 40 FDAB Cc1snnc1C(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 585113563 UUPATEPKKMWQDG-QGZVFWFLSA-N 359.455 1.611 0 40 FDAB Cc1cc(C(=O)NCC(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)o1 56402731 QJNSMGQKURQQGF-UHFFFAOYSA-N 374.441 1.575 0 40 FDAB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 78560145 AWNNOAOXBGPQSR-HNNXBMFYSA-N 355.479 1.616 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)NCc2ccn(C(C)C)n2)C[C@H]1c1ccnn1C 1615552459 NRVYCQIUFZQFGW-HZPDHXFCSA-N 373.461 1.011 0 40 FDAB CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O 12144930 HJIJMJDADNWAOE-HNNXBMFYSA-N 355.394 1.692 0 40 FDAB Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 12661663 MPMGYYYSXBITBB-LOGJQHNTSA-N 353.374 1.826 0 40 FDAB COC(=O)CCCN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 12896589 JMEWJFXXHKDXDL-INIZCTEOSA-N 355.394 1.217 0 40 FDAB biogenic O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc2c(c1)OCCCO2 16084890 XXQJLEHTNVCGCR-UHFFFAOYSA-N 374.378 1.591 0 40 FDAB COc1ccc(Cn2nnnc2[C@H](c2ccncc2)N2CCOCC2)cc1 19556173 JGFYGFHNRHIBEI-SFHVURJKSA-N 366.425 1.547 0 40 FDAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)c3ccccn3)C1)CNC2=O 19562859 ONMRQOKUERVWKO-HXUWFJFHSA-N 367.405 1.887 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@H](C)O 19696608 OKTWZDJFSCFDDX-XOBRGWDASA-N 371.437 1.762 0 40 FDAB O=C(Cn1cc(C(=O)NCC(F)F)ccc1=O)NCc1ccc(F)cc1 19750802 WFKYRCPTCJPZAL-UHFFFAOYSA-N 367.327 1.299 0 40 FDAB NC(=O)c1cc([C@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 19759318 KKACCPNNOUBCFZ-GOSISDBHSA-N 362.389 1.942 0 40 FDAB N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)O 16900042 SUYGZKLVNVTMNK-VHSXEESVSA-N 363.222 1.770 0 40 FDAB c1nc(C2CCOCC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1 1888879462 GPFARYRNGHOAPU-UHFFFAOYSA-N 366.429 1.135 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)[nH]1 1889179500 VHAGTPSTBDTRQI-UHFFFAOYSA-N 352.446 1.545 0 40 FDAB CCc1cnc(N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)nc1 1565519751 ZIXDLIHKOSUWAD-UHFFFAOYSA-N 350.430 1.679 0 40 FDAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n([C@H]2CCS(=O)(=O)C2)n1 17011648 UKHQVQSNJRCKBC-LBPRGKRZSA-N 363.395 1.532 0 40 FDAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)CCc3ccc[nH]3)C[C@@H]21 2055750971 SRTOWDNECYBVDT-ZWKOTPCHSA-N 358.442 1.664 0 40 FDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)c2cnccn2)CC1 2055751184 QNCBRZQVHGYAPQ-UHFFFAOYSA-N 353.426 1.652 0 40 FDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1cccc(NS(C)(=O)=O)c1 585149493 AZDICQOSIAGVFZ-CHWSQXEVSA-N 353.444 1.405 0 40 FDAB CCOC(=O)C1CCN(CN2C(=O)C3(OCCCO3)c3ccccc32)CC1 28617784 ABJZADXPLYNYHN-UHFFFAOYSA-N 374.437 1.856 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2nnc3n2CCCCC3)C1=O 40024694 GNMAIXBMROSCKX-CYBMUJFWSA-N 369.425 1.435 0 40 FDAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1 31819585 LUWNNKBUCRNAIV-MRXNPFEDSA-N 366.421 1.257 0 40 FDAB CC1(C)Cc2cccc(OCCNC(=O)CNC(=O)c3ccco3)c2O1 32830557 PPFYWXUQLATMMJ-UHFFFAOYSA-N 358.394 1.918 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(N2CCN(C3CCCC3)CC2)nc1 32829688 PZQAEMVPSDDTJK-UHFFFAOYSA-N 352.504 1.833 0 40 FDAB C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 32913387 UBTFOYJSPKXKNR-IBGZPJMESA-N 370.384 1.347 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2c(F)cccc2F)C1=O)C1CC1 47356002 LSCKEBGLSSZVIP-VVVCHXIZSA-N 351.353 1.647 0 40 FDAB O=C1CN(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)CCN1 8991000 NUXXPOAEAQMVEM-UHFFFAOYSA-N 372.421 1.692 0 40 FDAB C[C@H]1CN(Cc2ccc(CNC(=O)CN3CCCC3=O)cc2)C[C@H](C)O1 47539061 JUCDXAFPKCTDPJ-HOTGVXAUSA-N 359.470 1.534 0 40 FDAB C[S@@](=O)CCNC(=O)c1cc(F)ccc1I 78764033 DCVSZNVNNUOJCM-INIZCTEOSA-N 355.172 1.539 0 40 FDAB O=C(O)c1ccccc1S(=O)(=O)NC[C@H](O)COC1CCCCC1 864274 YXXHXVMBCCVMMR-LBPRGKRZSA-N 357.428 1.373 0 40 FDAB Cc1nc(CCNCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cs1 79108843 FGXHKGNMLRBXOD-HNNXBMFYSA-N 354.501 1.514 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nnsc1Cl)C2=O 23276249 MCZJQSICWZJMGL-RTHLEPHNSA-N 372.834 1.735 0 40 FDAB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cn1 6348431 WOSGEHLLALVCOH-UHFFFAOYSA-N 374.422 1.620 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN(C)C)CC2)cc1 7683915 TYBCGTQGCKXDCY-UHFFFAOYSA-N 367.515 1.464 0 40 FDAB COc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1cnn(C)c1)C(C)C 24475727 QICXSJWRPHHWIV-KRWDZBQOSA-N 358.442 1.842 0 40 FDAB COCCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12592429 WFUFETCURZDWAU-UHFFFAOYSA-N 352.412 1.971 0 40 FDAB Cc1cccc(N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)c1 12562621 XOERTQMFNGFIGG-UHFFFAOYSA-N 362.437 1.997 0 40 FDAB CCOC(=O)c1sc(NC(=S)NCCN2CCOCC2)cc1C 25194849 DCFQEPPFVJDTSC-UHFFFAOYSA-N 357.501 1.852 0 40 FDAB CNC(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 56949910 ZZPHOUBXCHTZFO-UHFFFAOYSA-N 357.410 1.087 0 40 FDAB Cn1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cn1 25308652 HQIOPJFBHJSZNQ-ZDUSSCGKSA-N 352.391 1.351 0 40 FDAB CN1[C@H]2CC[C@H]1CC(OC(=O)/C=C\C(=O)OC1C[C@H]3CC[C@H](C1)N3C)C2 104106722 HPYPBYFMSXFPSQ-XJWWKZNBSA-N 362.470 1.879 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 26455345 LOSGGYFXWUWTSY-KSSFIOAISA-N 359.451 1.971 0 40 FDAB Nc1nc(CN2CCN(c3ncccn3)CC2)nc(Nc2ccccc2)n1 57369332 IBRFMNYAAAKUOR-UHFFFAOYSA-N 363.429 1.310 0 40 FDAB COCCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 108787199 OQZPOZIPUMBFEE-GOSISDBHSA-N 373.497 1.766 0 40 FDAB COC(=O)c1sc2ncn(CC(=O)N3CCCCCC3)c(=O)c2c1C 1961527 BSDHBHKFWCELBK-UHFFFAOYSA-N 363.439 1.956 0 40 FDAB CS(=O)(=O)NCCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 58162957 DWBMUSVDMFFCTR-UHFFFAOYSA-N 366.409 1.162 0 40 FDAB Cn1cc(/C=c2\sc3n(c2=O)[C@H]2C[C@](C)(N=3)Oc3ccccc32)cn1 102009615 TWLDDYRKNOLICQ-OJRZEELXSA-N 352.419 1.193 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccccc1 97412257 JOKHLYOQUZLXHA-HOTGVXAUSA-N 372.421 1.411 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C1 58401111 KCSWSDLLSZWIQZ-OAHLLOKOSA-N 369.421 1.956 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CNC[C@H]2COc3ccccc3O2)c1 3338889 MZRQVKJJSQVVQE-HNNXBMFYSA-N 362.451 1.867 0 40 FDAB COc1cccc(CC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1 48325292 MQWOKTXGJGSYBD-UHFFFAOYSA-N 356.426 1.392 0 40 FDAB Cc1c(C(F)(F)F)n[nH]c1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 60211557 MFGAIOODQIEPOA-UHFFFAOYSA-N 373.335 1.930 0 40 FDAB Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1ccccn1)C(=O)N2C(C)C 9060994 IKAFMRCUACICBB-QGZVFWFLSA-N 366.421 1.619 0 40 FDAB Cc1cccc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)NC2=O)c1 20635240 AMMNHSXHEGTRCK-HNNXBMFYSA-N 364.409 1.814 0 40 FDAB CCn1c(SCC(=O)N2CCCC[C@H]2C(N)=O)nnc1-c1ccco1 9387146 FQGDJZSCTNRMON-NSHDSACASA-N 363.443 1.517 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1sccc1C(N)=O 9315221 JMCBMCMKTNLQPM-MRVPVSSYSA-N 362.363 1.760 0 40 FDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 6673245 WFPGTKLAKHGNFL-ZIAGYGMSSA-N 356.469 1.416 0 40 FDAB O=C(NCc1ccncc1)c1nc(Cn2cc(Br)cn2)no1 15082480 NYYOZHYHOYDJHZ-UHFFFAOYSA-N 363.175 1.402 0 40 FDAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cnn(C)c2C)n2ncnc2N1 6921761 XEKCHXMUFMLBFP-QGZVFWFLSA-N 363.425 1.925 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 6919487 GGJOYRQQEKUOCT-OAHLLOKOSA-N 356.469 1.431 0 40 FDAB O=c1cc(CSc2nnnn2C[C@@H]2CCCO2)c2ccc(O)cc2o1 16410757 BPOSTHXCKIZOPI-LBPRGKRZSA-N 360.395 1.956 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@@H](C)C(N)=O 8391348 AEANTXSWUKRHGG-LBPRGKRZSA-N 355.460 1.546 0 40 FDAB Cc1nc(CN2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)oc1C 95972356 QGBCXDDETZKJII-CQSZACIVSA-N 374.407 1.962 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9953437 LWUXBGKGFYYAQV-GJZGRUSLSA-N 361.467 1.854 0 40 FDAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(N)=O)C(C)C)CC2)cc1 9983722 FVASYCYGWPJHOY-MRXNPFEDSA-N 361.442 1.809 0 40 FDAB Cn1cccc1C(=O)N1CCN(Cc2nncn2-c2ccccc2F)CC1 75164076 MPNBPMUDDQYFIA-UHFFFAOYSA-N 368.416 1.703 0 40 FDAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@H](CO)[C@H](O)C1 545989915 AWELGKNQDSAWMX-ZWNOBZJWSA-N 373.331 1.120 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@H](COc3ncccc3F)CCN2C)C1 306128828 HLVQOBBUMFBTID-CQSZACIVSA-N 371.478 1.734 0 40 FDAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 20204108 KNOCULMLCYXLKH-LBPRGKRZSA-N 352.412 1.299 0 40 FDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cn(Cc3ccccc3)nn2)C1 1553719813 PRBWBKFDRJVWOY-GDBMZVCRSA-N 352.398 1.652 0 40 FDAB O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)cc2N1 524729036 AGUCDISQJNJIGG-INWMFGNUSA-N 369.421 1.491 0 40 FDAB biogenic C[C@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 35456559 QMWJARHMJRTJMQ-VLYAGDIESA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1OCC 38372521 IEQOAPMAOMKNFC-UHFFFAOYSA-N 372.487 1.485 0 40 FDAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72378978 DQZYXKCATAJSQU-QGZVFWFLSA-N 369.469 1.614 0 40 FDAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1F 71327511 NKCUYMUWAFPKLM-UHFFFAOYSA-N 374.397 1.989 0 40 FDAB CC1(C)CCCN(CCNc2ccc(S(N)(=O)=O)cc2C(=O)O)C1 563204120 HREXRNWKECSTJK-UHFFFAOYSA-N 355.460 1.566 0 40 FDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1 72394721 ZKDGKJDMLMKKAY-RBUKOAKNSA-N 353.466 1.908 0 40 FDAB COc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224312621 RBQCSVINWROHER-UHFFFAOYSA-N 356.430 1.905 0 40 FDAB Cc1ccc(C(=O)NCCN2CCOCC2)c(I)c1 225022683 LARYIEJYDIEPSN-UHFFFAOYSA-N 374.222 1.662 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)n1 40286238 GEQSWXYVEMWUJG-OWCLPIDISA-N 353.426 1.374 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1C 226687432 QXLNFYYYQXMSDH-UHFFFAOYSA-N 370.452 1.790 0 40 FDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)cc1 583616240 YXPBMJNNDNVRRW-YLJYHZDGSA-N 356.422 1.906 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)NCC1CCOCC1 96219037 BTLCAEIQBOWKTC-YTQUADARSA-N 359.470 1.604 0 40 FDAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)COC)CC[C@@H]12 96145317 UQTQUAOJVHHROP-VQIMIIECSA-N 360.458 1.370 0 40 FDAB Fc1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)cc1 96052362 ZNOUBTJUXXVMAQ-WOJBJXKFSA-N 364.461 1.908 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1 95386028 WSWZKQXUDJJESA-LBPRGKRZSA-N 358.485 1.189 0 40 FDAB O=C(NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)c1cccnc1 247469427 DWRQFACSOIIFJB-GOSISDBHSA-N 369.469 1.882 0 40 FDAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2ccnc(Cc3ccccc3)c2)CCO1 257314799 UYMDREGURXECDY-NRFANRHFSA-N 367.449 1.992 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)nc(C)c1)C2 253383067 KFIKHUKDUDLXJW-OAHLLOKOSA-N 352.456 1.364 0 40 FDAB O=C(CN1CCCC1)N1CCC(c2nccnc2Nc2cnccn2)CC1 257266405 MCXBKLSCRFZTKK-UHFFFAOYSA-N 367.457 1.812 0 40 FDAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCOCCN3)CCCC2)cc1 615494107 FCGYZRNFTGBLRE-UHFFFAOYSA-N 352.456 1.445 0 40 FDAB Cc1cc(C2(NC(=O)Nc3cnn(CCN(C)C)c3)CCOCC2)on1 626416424 WVNYKVOFGCHASE-UHFFFAOYSA-N 362.434 1.569 0 40 FDAB CN(C(=O)c1cccc(OCC(=O)O)c1)c1ccc(N2CCOCC2)nc1 663044817 BXLGOEKCVVNEML-UHFFFAOYSA-N 371.393 1.658 0 40 FDAB Cn1nccc1N1CCC[C@H](NC(=O)c2cccnc2N2CCCC2)C1=O 682956783 IVBGYBCMDQWVKD-HNNXBMFYSA-N 368.441 1.341 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)NCc1ccnc(-c2ccncc2)c1 390828092 OOPXAASUPYDLAZ-UHFFFAOYSA-N 350.378 1.781 0 40 FDAB Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2Cc2ccccn2)n1 585094992 YOCHGLJMQVCTLB-MRXNPFEDSA-N 350.426 1.919 0 40 FDAB O=C(NC1CC(F)(F)C1)C1=NO[C@]2(CCCN(c3ccncn3)C2)C1 585101107 DQJBKLIQLXMVKH-OAHLLOKOSA-N 351.357 1.506 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H]2CO)C3)[nH]1 585105091 XRRXORNKAFMJGF-HOTGVXAUSA-N 362.474 1.186 0 40 FDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccnc(F)c1)CC2 585113570 XGEJMTXHHOFNMY-CYBMUJFWSA-N 361.417 1.853 0 40 FDAB COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccc1OC 585097193 IMYNIHDGMWCZSY-MRXNPFEDSA-N 358.442 1.429 0 40 FDAB CC(C)NC(=O)Nc1ccccc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 52930386 XLIDEWQHTYCXNG-LBPRGKRZSA-N 353.444 1.476 0 40 FDAB Cc1cc(C)n(-c2ccc(NC(=O)CCCN3C(=O)CN(C)C3=O)cn2)n1 40090335 VYSPJILNMIVBMQ-UHFFFAOYSA-N 370.413 1.497 0 40 FDAB Cc1c(I)cccc1NC(=O)[C@H](C)S(C)(=O)=O 96004522 SNKSTUYSYMCNBH-QMMMGPOBSA-N 367.208 1.971 0 40 FDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1nccs1 1549159234 MOWLNBOTJPMEOD-ZMSDIMECSA-N 357.439 1.320 0 40 FDAB O=C(c1cccc(O)n1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615162300 VMNFBOREBHGPFB-JKSUJKDBSA-N 352.431 1.322 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@H]1CN1CCCC1 12238134 YEIXLPCXYXNPRW-HNNXBMFYSA-N 354.454 1.943 0 40 FDAB O=C(Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1)NCc1cccs1 12878989 OASAIJPILPLRGG-LLVKDONJSA-N 364.452 1.281 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 15733660 CXOGZCVTAGRZNG-UHFFFAOYSA-N 359.407 1.346 0 40 FDAB CCc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1C 19521467 SAHYLGYIFSFWPJ-ZDUSSCGKSA-N 369.421 1.790 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(C)n1 19552455 ZZJVNYJLCTZRKQ-OAHLLOKOSA-N 366.469 1.891 0 40 FDAB CCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741964 AGZSLALYMUHDAA-OAHLLOKOSA-N 359.474 1.699 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)c1 1648219371 AYJPCVBDSJHTJX-AWEZNQCLSA-N 351.410 1.952 0 40 FDAB COC(=O)[C@H]1[C@@H](C(=O)NCc2ccncc2)[C@@]1(C)C(=O)c1ccccc1N 19576118 RHKAVHPZXOAMIB-RZQQEMMASA-N 367.405 1.588 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2ncccc2c1 575616994 PIGDEBXWGHPXRR-KRWDZBQOSA-N 373.478 1.616 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)C1 7131659 RHPNNKAARDUMLZ-ADLMAVQZSA-N 365.380 1.990 0 40 FDAB COCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21 1888897449 OLPKNZONCCDECC-UHFFFAOYSA-N 368.445 1.206 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2)cn1 1889139090 BZMGJTJPPFIJRQ-INIZCTEOSA-N 357.414 1.426 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)CCc3c(C)n[nH]c3C)CC2)n1 253537448 ZJKDIDBIJKFNGR-UHFFFAOYSA-N 358.446 1.548 0 40 FDAB Cc1ccc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NC(C)C)CO2)o1 1565548113 RVUQUBZFDHYVDW-GFCCVEGCSA-N 360.414 1.331 0 40 FDAB Cn1nc(COc2cccnc2)c2c1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565549190 NLCRYVSCXUSZNG-HWWDLCQESA-N 354.410 1.171 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@@H]2CCCO[C@@H]21 2055772546 STQXINUBHFHZTM-KIIDXJDUSA-N 364.467 1.530 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccc(C)cc2)CC1 2055781484 LCFCFYLRISBNAA-UHFFFAOYSA-N 370.453 1.586 0 40 FDAB CN(C(=O)c1cnn(C)c1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775970322 BMXJJYPRFWZJDY-UHFFFAOYSA-N 366.429 1.086 0 40 FDAB COc1ccccc1OCC(=O)N1C[C@@H]2CN(c3cc(C)ncn3)C[C@@H]2C1 1775976239 WOFVTORWEWWLHH-IYBDPMFKSA-N 368.437 1.767 0 40 FDAB COCCN1CCC(CNS(=O)(=O)CCc2ccc(OC)cc2)CC1 23127587 KVDZHKOKNMOMIX-UHFFFAOYSA-N 370.515 1.516 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38490295 LLSLBQBUDZLNDZ-SJORKVTESA-N 351.406 1.463 0 40 FDAB COc1nc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)nc(OC)n1 575607368 MREUTBUAMDXDMH-UHFFFAOYSA-N 372.360 1.358 0 40 FDAB O=C(c1cc(Br)cs1)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585386536 DBEFSQFNDQSQSP-RKDXNWHRSA-N 355.213 1.340 0 40 FDAB CN1CCC(N(C)S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 96191741 KWNTUYZKSOVZJU-UHFFFAOYSA-N 365.499 1.918 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)c1 101337169 WOYWSSPTERQERI-HDICACEKSA-N 367.449 1.595 0 40 FDAB Cc1cnc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)s1 21336867 JLQFCCJIBLCXIX-QGZVFWFLSA-N 356.407 1.784 0 40 FDAB COc1ccccc1CN(C)CCC(=O)N1CCN(c2ncccn2)CC1 32777987 FCJOVLDNNIRKTG-UHFFFAOYSA-N 369.469 1.656 0 40 FDAB CSc1nc2nc(C)c(CCC(=O)O[C@@H]3C[C@H](C)OC3=O)c(C)n2n1 32739664 UCMGCNZJVZHEBC-QPUJVOFHSA-N 364.427 1.643 0 40 FDAB Cc1cc(C(=O)CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)s1 21475133 SUOWSVGRSPUFBZ-UHFFFAOYSA-N 363.439 1.528 0 40 FDAB O=C(c1cnccn1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32820367 OQALMKUGQDWACA-UHFFFAOYSA-N 372.450 1.854 0 40 FDAB COc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1OC 32878747 ZXIOHQATCFDDOM-UHFFFAOYSA-N 357.410 1.865 0 40 FDAB COc1cc2nc(CSCC(=O)NC(C)C)[nH]c(=O)c2cc1OC 12390662 SFSLLWMWSMVFCK-UHFFFAOYSA-N 351.428 1.698 0 40 FDAB CN(C)[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 2654643 ISINMPUIFTXWJP-QGZVFWFLSA-N 351.406 1.702 0 40 FDAB COc1ccccc1CCNC(=O)CN1CCN(CC(F)(F)F)CC1 22916108 JOWYNTHYEJXDIC-UHFFFAOYSA-N 359.392 1.534 0 40 FDAB CCc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O 806620 VWLYOHLJGCCJEV-KRWDZBQOSA-N 374.422 1.297 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1 10385123 LNZZZBSHBFDADD-WCQYABFASA-N 352.412 1.187 0 40 FDAB Cn1c(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 24969312 OSXPMLRCWOTPRK-UHFFFAOYSA-N 369.425 1.444 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 9547590 LVIJWHVONNVWCP-DLBZAZTESA-N 366.417 1.991 0 40 FDAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3nncs3)CC2)C[C@@H](C)O1 58268951 UYTZYKSTWRYJHZ-PHIMTYICSA-N 353.448 1.418 0 40 FDAB CC[C@H]1CN(C(=O)CNc2ccc(Br)cc2C(N)=O)CCO1 58210586 YJFRVRNUSIXAFM-NSHDSACASA-N 370.247 1.597 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2cc(C)cc(C)c2)C1 55602401 IIUPDAXZJLOABO-MRXNPFEDSA-N 368.499 1.860 0 40 FDAB COc1cc([C@H]2NC(=O)c3ccccc3N2CC(N)=O)cc(OC)c1O 12752648 FULKCXPPJASAGC-KRWDZBQOSA-N 357.366 1.143 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 27900907 PZTZHUZMRXZLOS-QGZVFWFLSA-N 360.435 1.808 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1 101743315 XWQVDFNFNSKQER-SRVKXCTJSA-N 360.863 1.643 0 40 FDAB O=C(CNC(=O)c1ccccc1)OCc1nnnn1Cc1ccccc1 10633037 ZEVCEZOVDUSQQX-UHFFFAOYSA-N 351.366 1.195 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CC(=O)N(C2CC2)C1=O 36391570 IPTIFLHVHRMBLB-ZDUSSCGKSA-N 365.817 1.509 0 40 FDAB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)NCCCN(C)C 36354988 MMLYCCXGWFFCKS-UHFFFAOYSA-N 354.451 1.858 0 40 FDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CNC(=O)c1ccccc1 23112234 FZOJSCZUHSKRIN-UHFFFAOYSA-N 369.421 1.912 0 40 FDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 12983686 CFOVPNFMJRTFAV-UHFFFAOYSA-N 352.343 1.448 0 40 FDAB C[C@]1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 12997537 GYEUWPRORXEJDB-NSHDSACASA-N 373.374 1.441 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 71285300 TUNJPBPIUJGDAQ-JKSUJKDBSA-N 360.410 1.983 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 13239757 YBBHSYTYRUSZBO-UBHSHLNASA-N 352.412 1.192 0 40 FDAB CC(C)CCN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 95350414 UBAYGKFQZWBEAB-UHFFFAOYSA-N 374.528 1.443 0 40 FDAB COc1ncccc1C(=O)N[C@@H]1CCCc2cn(CC(=O)N(C)C)nc21 96002946 ZGCQXLYCGPRQMJ-CQSZACIVSA-N 357.414 1.182 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2SC)NC(=O)N[C@H]1C 6053860 AYEXFFOSCBMASS-VIFPVBQESA-N 365.411 1.479 0 40 FDAB C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2 5292674 GKEDXVYRAMTCRL-LBPRGKRZSA-N 373.409 1.847 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCOc3ccccc3)ccc21 14015084 IDRMOCCGUGEVLY-UHFFFAOYSA-N 367.405 1.909 0 40 FDAB COc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)N(C)C 14014716 YAPHWOQXWYMQMH-UHFFFAOYSA-N 352.412 1.811 0 40 FDAB O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc2c(c1)OCCO2 14100825 HFCOSKABMOHOQS-UHFFFAOYSA-N 372.406 1.517 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1 14137095 BLFONCCWKNCREI-UHFFFAOYSA-N 359.354 1.829 0 40 FDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)c1C 4514878 WKHJLAGVWZFMOE-FPLPWBNLSA-N 365.367 1.672 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccccc1F 14804268 PNFODFYNRZATKG-UHFFFAOYSA-N 350.415 1.935 0 40 FDAB CCN(C1CCN(Cc2nc(-c3ccco3)no2)CC1)S(C)(=O)=O 66883026 UQTMQSAKQLIIRI-UHFFFAOYSA-N 354.432 1.576 0 40 FDAB CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C 4930469 TZDQJGGASZQTSE-CQSZACIVSA-N 361.490 1.854 0 40 FDAB Cc1cccc(OCCS[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 15492280 QVOKEQSLEPUDCU-KBPBESRZSA-N 357.497 1.799 0 40 FDAB O=C(OC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 67650850 GHXOCKBEQQPJPX-BBWFWOEESA-N 370.405 1.983 0 40 FDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9595701 LTAXAWWIXWQKGA-CYBMUJFWSA-N 361.398 1.753 0 40 FDAB CCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1cccs1 7661592 FISBULYNDGTYFY-UHFFFAOYSA-N 364.471 1.856 0 40 FDAB Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 7736793 NDEDCEQKWSTGOS-UHFFFAOYSA-N 364.471 1.570 0 40 FDAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)NC(N)=O 7777677 OUMWPISUSUJIOR-VIFPVBQESA-N 360.336 1.549 0 40 FDAB COc1ccc2c(C)c(CC(=O)NN3CCOCC3)c(=O)oc2c1OC 9576228 CBUNZYQEPXXHLA-UHFFFAOYSA-N 362.382 1.025 0 40 FDAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCNC(=O)C2)cc1 8213842 HNWNOCDTZBOOLN-UHFFFAOYSA-N 359.451 1.722 0 40 FDAB CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1(C)C 95463074 UANRBOBQHCUVBZ-LERXQTSPSA-N 361.485 1.428 0 40 FDAB CN(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)Cc1ccccc1 8754187 ARIPYPCFMXSNPE-INIZCTEOSA-N 364.449 1.836 0 40 FDAB CC(C)Cn1ccc2cc(NC(=O)CCc3n[nH]c(=O)[nH]c3=O)ccc21 95479786 HVUWVGJPGKSEHM-UHFFFAOYSA-N 355.398 1.640 0 40 FDAB O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1CN1CCOCC1 97009900 CUWQKZRVZVHIPQ-HNNXBMFYSA-N 351.834 1.602 0 40 FDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c2c(c1)OCO2 85413672 WHMFJUHUYOKBRU-CJNGLKHVSA-N 360.318 1.751 0 40 FDAB O=C(Cn1c(O)nc2ccccc2c1=O)Nc1ccc2nc(CO)[nH]c2c1 524734098 WUCWAUSCRWDFFC-UHFFFAOYSA-N 365.349 1.109 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)NCc2ccc3c(c2)OCO3)c1C 524734555 QHEZBPZVMCXPRX-UHFFFAOYSA-N 357.395 1.999 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cccnc2SC)CC1 7657402 RTGAYFMIKDTYME-UHFFFAOYSA-N 367.427 1.261 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218651309 BFERPMGBDMFTQG-JKIFEVAISA-N 372.462 1.948 0 40 FDAB CCn1nncc1CNC(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 528901104 UINRSDHBYOBMNE-UHFFFAOYSA-N 358.402 1.755 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C 223338449 ZHGKZHDXDRLUGR-UHFFFAOYSA-N 362.407 1.927 0 40 FDAB CC(C)Cc1nnc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1 41070405 OUYNTRLICOMYGS-UHFFFAOYSA-N 369.472 1.193 0 40 FDAB Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCC3CC3)CN(C)C(=O)C2)no1 225406714 ITKYNBONBFQGDC-HZPDHXFCSA-N 362.474 1.616 0 40 FDAB biogenic,in-vitro CS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(N)c1 96518237 RTBXYQBBBAJVCW-VIFPVBQESA-N 373.599 1.824 0 40 FDAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccc[nH]1)CC2 96199881 GGQYPVJYRNDCBV-OAHLLOKOSA-N 355.442 1.759 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@]3(CCCN(c4ccccn4)C3)C2)c1 96216726 DRYHPDXLDCTWLE-KRWDZBQOSA-N 361.471 1.496 0 40 FDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 96225858 KFBJQSPJLSISRM-SFHVURJKSA-N 354.366 1.352 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247339931 RYOAMEPOWYVVLK-CQSZACIVSA-N 363.464 1.804 0 40 FDAB CS(=O)(=O)c1ccc(CN2Cc3ccnn3[C@@H](C(=O)NC3CC3)C2)cc1 247519882 LDXHIDJJBBVYBX-QGZVFWFLSA-N 374.466 1.122 0 40 FDAB C[C@H]1CN(c2cc(CC3CCN(S(C)(=O)=O)CC3)ncn2)C(=O)O1 257209559 BQWBCDNWUOJZGJ-NSHDSACASA-N 354.432 1.036 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)Cc1nonc1C 257272760 NDTGISFKRWEUPJ-OAHLLOKOSA-N 358.402 1.019 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3ccnn3C)C2)cc1 257225691 FHJCJORBVPSWJJ-IBGZPJMESA-N 358.442 1.138 0 40 FDAB O=C(CCOc1ccccc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257283402 OYDPTBDTNMAKRL-QGZVFWFLSA-N 357.410 1.811 0 40 FDAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)o2)cc1 26434092 ZMWRJCXDGMCOKU-LLVKDONJSA-N 372.381 1.980 0 40 FDAB Cc1cnn(CC(=O)N2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)c1 257282025 ORZLDEYVEAGMPI-INIZCTEOSA-N 356.474 1.919 0 40 FDAB O=C(Cn1cc(Cl)cn1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257307415 SYNZATCYJVUGOU-IIAWOOMASA-N 350.806 1.409 0 40 FDAB CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)CC1 257338148 YWCHMSYULWTZOB-HKUYNNGSSA-N 373.497 1.890 0 40 FDAB CN([C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1)S(C)(=O)=O 260747039 ZRDAXPBQEVAHRC-HNNXBMFYSA-N 361.423 1.357 0 40 FDAB CCN1C[C@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)CC1=O 273801461 VPUIZIXJLIWLSC-LLVKDONJSA-N 350.400 1.444 0 40 FDAB C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)c1nnc2n1CCCC2 623773665 DMELIRPJDNVBKK-BJJXKVORSA-N 356.430 1.900 0 40 FDAB O=C(CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)Nc1nc2c(s1)CCC2 639930682 XPADDLYXPGRECE-HUUCEWRRSA-N 359.451 1.694 0 40 FDAB O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC[C@](O)(Cn2ccnn2)C1 648897327 WLCGXCUJQRGKQW-GOSISDBHSA-N 370.388 1.270 0 40 FDAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@@](C)(C(F)F)C1 663315924 QCLBZQGYMLSRNQ-APPDUMDISA-N 356.369 1.746 0 40 FDAB C[C@@]1(NC(=S)NCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 575420889 GERJXFFRTXMDTH-MRXNPFEDSA-N 351.497 1.752 0 40 FDAB CC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2ccc(C)cc2)C1 585282996 OEQCTLDVOGUZCT-FQEVSTJZSA-N 362.470 1.448 0 40 FDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)CCCc3cn[nH]c3)CCO2)c1 585277264 LPSFKDOLJSQIMQ-FQEVSTJZSA-N 357.454 1.873 0 40 FDAB C[C@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)Cc1ccco1 585097889 SMUMRSRPBYWNAO-ZDUSSCGKSA-N 353.382 1.991 0 40 FDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3ccncc3C)C2)c1 585278476 SYLHMWFFQZIXAC-HXUWFJFHSA-N 356.422 1.981 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)CN1CCN(c2ccccc2Cl)CC1 57322898 FDFUXIUAIMQBMT-CQSZACIVSA-N 366.893 1.493 0 40 FDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CSCCC(=O)N2)CC1 75171410 BJIRSJQFHZNJAH-AWEZNQCLSA-N 367.902 1.919 0 40 FDAB Cc1cccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 676304684 YZHDYOFTGJAGIA-UHFFFAOYSA-N 353.470 1.944 0 40 FDAB O=C1NC2=C(C(=O)N(CCN3CCCCC3)C2)[C@H](c2ccc(F)cc2)N1 12144530 LQFCEEVNYIDHEG-KRWDZBQOSA-N 358.417 1.762 0 40 FDAB COc1cccc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)c1 12329760 CNCWRCJDADYESX-UHFFFAOYSA-N 356.426 1.173 0 40 FDAB NC(=O)C1CCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)CC1 13268317 MTNQZAOAKVPERZ-UHFFFAOYSA-N 350.382 1.895 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Nc2c(C)nc3ncnn3c2O)cc1 13364684 IVIQPPDOHUEPPY-UHFFFAOYSA-N 356.342 1.959 0 40 FDAB COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O 14139254 NRAFQNZRPBRGHH-LSDHHAIUSA-N 374.437 1.911 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCc1ccccc1 14248341 DPTFDKRECUOGDH-UHFFFAOYSA-N 357.435 1.474 0 40 FDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)O 16577289 LTLGHWWAISDESV-HOSYDEDBSA-N 369.830 1.977 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)nc12 19126878 HYQZMWZCFYSEKX-KBPBESRZSA-N 354.410 1.593 0 40 FDAB CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3CC(=O)N(C)C)c2)CC1 19698170 CGKVVEGTNNVDNO-IBGZPJMESA-N 373.501 1.284 0 40 FDAB N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 6472871 NAVLVYNBKLXECY-XNTDXEJSSA-N 351.318 1.844 0 40 FDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)N(C)c1ccccc1 9743483 UOHZLIUVBLPKBT-CYBMUJFWSA-N 351.366 1.871 0 40 FDAB NCc1cccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1 643551148 KQAJTPCFRTXPJT-SFHLNBCPSA-N 352.434 1.905 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888860378 PPPVWEDQCANBLC-OFQRWUPVSA-N 367.453 1.229 0 40 FDAB Cc1ccccc1NC(=O)N1C[C@H]2CN(c3cc(=O)n(C)c(O)n3)C[C@@H]2C1 1888866511 XURIRWVRHOVKLK-ZIAGYGMSSA-N 369.425 1.394 0 40 FDAB Cc1cccc(OCCS[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 15492278 QVOKEQSLEPUDCU-UONOGXRCSA-N 357.497 1.799 0 40 FDAB CCCCOCCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 21555934 IBNLEVGROSAFNT-UHFFFAOYSA-N 373.453 1.381 0 40 FDAB Cc1ccc(OC[C@H]2CCN(c3nc4ccccc4c(=O)n3C)C2)nn1 2087000716 FSVFHSLIJUBGHS-AWEZNQCLSA-N 351.410 1.937 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1C(=O)c2ccccc2S1(=O)=O 4330266 CWSYTJRSUQCPAQ-LBPRGKRZSA-N 373.434 1.924 0 40 FDAB Cc1ccc(N2C[C@H](NC(=O)NCCCn3ccnc3)CC2=O)cc1C 5084252 KFROIFNRHDLLJY-MRXNPFEDSA-N 355.442 1.995 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)n1 2055771551 HJXFVHGFRCVWGC-LJQANCHMSA-N 371.441 1.482 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cnn(C)c2)CC1 2055750986 UZGJBTZCQLZCLX-UHFFFAOYSA-N 357.458 1.621 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)C2CCCCC2)CC1 2055746253 GBZMBKGSYQFMOX-UHFFFAOYSA-N 361.490 1.862 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 20614848 BHSYRDPQKSEGKF-MRXNPFEDSA-N 350.440 1.940 0 40 FDAB CCOc1nc(C)c(NC(=O)COc2ccc(-n3cccn3)nn2)c(C)n1 206720171 AEAJQXURAQQWRP-UHFFFAOYSA-N 369.385 1.485 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN(c2ccccn2)CC1 43941350 BAFHDHTXVGJHGW-UHFFFAOYSA-N 358.467 1.792 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@@H](O)C(F)(F)F)CC1 585501456 FVYCQSSYSRKVIW-CYBMUJFWSA-N 371.363 1.064 0 40 FDAB C[C@@]1(c2cccc(NC(=O)CCNC(=O)c3ccco3)c2)NC(=O)NC1=O 40111209 FAAHQUCMFIDHTC-SFHVURJKSA-N 370.365 1.093 0 40 FDAB CN1CCN(C(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 20761191 YNGCLVONPPYNHW-UHFFFAOYSA-N 354.454 1.607 0 40 FDAB biogenic O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccnc(Cl)c1 32333838 HSIIFQKVPXOZOA-UHFFFAOYSA-N 360.849 1.467 0 40 FDAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089806 IVDXKCPCBXVXKI-UHFFFAOYSA-N 351.453 1.598 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccnc(-n2cccn2)c1 103124458 ZGJPHYVKFGINGW-GASCZTMLSA-N 367.409 1.059 0 40 FDAB CC(C)CN(Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCS(=O)(=O)C1 22315494 KTNDZVQERPMCBD-SNVBAGLBSA-N 368.286 1.653 0 40 FDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1 891684 HSPVRWRFTDSRBA-UHFFFAOYSA-N 366.425 1.731 0 40 FDAB O=C(NCc1ccccc1CN1CCCC1)N[C@H]1CC(=O)N(C2CC2)C1 78841993 ZEFSDWMYMDMRFW-KRWDZBQOSA-N 356.470 1.845 0 40 FDAB O=C(c1cc2ncc(Br)cn2n1)N1CCN2CCC[C@H]2C1 2788850 QKFSXQUYWNRQDS-NSHDSACASA-N 350.220 1.412 0 40 FDAB Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044097 MPMGYYYSXBITBB-ZBBIYILVSA-N 353.374 1.826 0 40 FDAB COc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 6714786 KUUWFNGPAWIKMU-BODMPHMZSA-N 356.422 1.867 0 40 FDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 7248497 YMRAVXAORDVSFL-LBPRGKRZSA-N 351.877 1.928 0 40 FDAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 101505374 KIBXGEWYSNLPIT-HOCLYGCPSA-N 354.293 1.847 0 40 FDAB O=C(NC1CC1)C1CCN(C[C@@H](O)COCc2ccccc2F)CC1 56511306 NAZAAHNSOPYJAP-QGZVFWFLSA-N 350.434 1.694 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@H](c2ccccc2)C1 35268859 RRJJEGBXPHYRDJ-KRWDZBQOSA-N 372.450 1.534 0 40 FDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 26990347 TXCHYUZPRAQWOV-OKILXGFUSA-N 354.472 1.965 0 40 FDAB COC(=O)CSc1nc2[nH]c(CSc3ccccn3)cc(=O)n2n1 100071805 XCRANYNAPFNNRW-UHFFFAOYSA-N 363.424 1.370 0 40 FDAB CCCN(C(=O)CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 58167788 YFYWRNIUODHYPN-UHFFFAOYSA-N 374.441 1.337 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)F)s2)cc1OC 58160150 KDLSPKFBKUSDCY-UHFFFAOYSA-N 372.353 1.861 0 40 FDAB CCC(=O)NCC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 58228754 VKYHSHBKGRRWKM-VIFPVBQESA-N 371.231 1.924 0 40 FDAB CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(-n3cccn3)nc2)C1 58217861 NEHOIXFBYUVCPD-HNNXBMFYSA-N 356.430 1.325 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)CC2)c1C 102609455 IGDJUVKHKVQMQL-MHORFTMASA-N 356.422 1.606 0 40 FDAB COC(=O)N1CCCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 58202593 PQDJCKHBNQSXJS-UHFFFAOYSA-N 361.398 1.103 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCCn2c(=O)oc3ccccc32)cc1 44919899 SEOCAHSPVSXLHV-UHFFFAOYSA-N 361.375 1.855 0 40 FDAB Cn1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1 12765620 OIZJWTRUIBBSNG-UHFFFAOYSA-N 354.863 1.580 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccc(O)cc2)n2ncnc2N1 54672240 ACANCEGCLKAZPZ-INIZCTEOSA-N 354.414 1.047 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)cc1 36383858 LWOUGBSZGDFQRJ-OAHLLOKOSA-N 353.488 1.214 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2ccccc2C1 11352382 RNYSXOPQLSLOGZ-ZDUSSCGKSA-N 356.378 1.526 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)n3C)CC2)nc1 29292621 WLTVIAHPXSFFJR-UHFFFAOYSA-N 356.426 1.868 0 40 FDAB C[C@@H]1C[C@@H](Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)C(=O)O1 12898292 IHOPFCXVLBGJDO-PRHODGIISA-N 356.425 1.874 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc[nH]1 2661147 SDMIIVVLXJFHQT-JTQLQIEISA-N 370.814 1.761 0 40 FDAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2nccs2)CC1 306136494 PVBUOIJOVMITJF-UHFFFAOYSA-N 360.487 1.713 0 40 FDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)NCc1ccccc1 12984291 IIWYVIIZIMESIO-UHFFFAOYSA-N 366.465 1.830 0 40 FDAB C[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccn1)C(=O)NCc1ccco1 96013162 VUZDVNCDOJDLMD-NSHDSACASA-N 359.386 1.203 0 40 FDAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)O)C1=O)OCO2 409136892 YXCDNFGDAAOZCC-UUILKARUSA-N 351.336 1.935 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 21732771 WPDOXRZJKWGJQW-GOSISDBHSA-N 371.349 1.472 0 40 FDAB CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 14139427 MFEOASCDPKHQSC-UHFFFAOYSA-N 365.377 1.221 0 40 FDAB Cc1cccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 5754938 MMZYWMJTJPBUDW-UHFFFAOYSA-N 351.362 1.956 0 40 FDAB O=C1CN(C(=O)COc2ccc(-n3cnnn3)cc2)c2ccccc2N1 7007547 YKALEKSWNFKSCT-UHFFFAOYSA-N 350.338 1.026 0 40 FDAB Cc1nn(C)c(C)c1[C@@H]1NC(N)=Nc2nc3cc4c(cc3n21)OCCCO4 9477603 BUGWQSUQPCYIOR-MRXNPFEDSA-N 367.413 1.644 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 15644995 YYTTWQGIHZQKJD-VXGBXAGGSA-N 373.858 1.921 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1N1CCOCC1)CS2 15940785 GUEIKJJLAYENJI-QAPCUYQASA-N 361.467 1.916 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN(C)C(C)C)cc1 68353898 WOUFGTJJVITCFV-HNNXBMFYSA-N 351.472 1.875 0 40 FDAB COc1cccc(/C=C2/SC(=O)N(CC(=O)NCCN(C)C)C2=O)c1 9576410 PIIZWJNQWBTUQM-GXDHUFHOSA-N 363.439 1.409 0 40 FDAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(c3ncccn3)CC2)c1C 8134702 IWWDJNVDFRJHQP-UHFFFAOYSA-N 371.441 1.420 0 40 FDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 8325246 HQHSDSXGRIIBJD-ZDUSSCGKSA-N 355.460 1.416 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)COc1cccc2cccnc12 8395520 OLLRFYCUARXONU-UHFFFAOYSA-N 353.378 1.981 0 40 FDAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(CC(=O)NC2CC2)n1 17073183 TZTJXAVYMBQPKW-UHFFFAOYSA-N 353.430 1.580 0 40 FDAB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)NC(=O)NC3CC3)nn2)n1 8748503 HBYOOQBXWPJLCZ-LLVKDONJSA-N 360.443 1.748 0 40 FDAB COc1cc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)NC(=O)[C@@H]32)ccc1O 19171805 DLDBZAVQHDYZBM-IKGGRYGDSA-N 353.378 1.104 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 95451420 NVXOYYJTBKYPMR-ZIAGYGMSSA-N 354.472 1.414 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC[C@@H]1C(=O)O 9912035 HUEGQSCQXHJVFK-OAHLLOKOSA-N 366.439 1.469 0 40 FDAB C[C@H]1CCCN(CCCNC(=O)[C@@H](C)N(C)c2nccn3cnnc23)C1 89929795 LYXKPEYCWSHLCJ-LSDHHAIUSA-N 359.478 1.187 0 40 FDAB CS(=O)(=O)N(CCCC(=O)NCCCn1ccnc1)c1ccccc1 408682303 XAMQQMKZKIKOTK-UHFFFAOYSA-N 364.471 1.636 0 40 FDAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(C)=O)C[C@@H]2C3)cc1 306143459 YCSXIRQREOHZDP-QWHCGFSZSA-N 355.398 1.190 0 40 FDAB COc1ccc(CN2CCO[C@]3(CN(C)C[C@@H]3c3cccnc3)C2=O)cc1 306135962 PFESAZDELHOKKL-CTNGQTDRSA-N 367.449 1.917 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 35671024 KXSFNCQIVWPFBF-UHFFFAOYSA-N 366.443 1.283 0 40 FDAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 569561535 XSTHPPRSODWYBW-YYIAUSFCSA-N 369.400 1.560 0 40 FDAB Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(N2CCCC2)n1 49411006 DEUPQTWZQFEGCV-UHFFFAOYSA-N 362.380 1.747 0 40 FDAB Cc1noc([C@@H]2CCN(C(=O)[C@H](c3ccccc3F)N3CCOCC3)C2)n1 329087359 VBUONVJQPQIEPW-PBHICJAKSA-N 374.416 1.907 0 40 FDAB CCN1C[C@H](C)N(C(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C[C@@H]1C 1578214884 FXKCJFQFLFAVQU-GJZGRUSLSA-N 356.474 1.967 0 40 FDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 40111667 CLIBGOIZKNEGFD-GGNLRSJOSA-N 353.422 1.807 0 40 FDAB C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 331457180 DDHZHCJQFZABDI-NSHDSACASA-N 371.528 1.666 0 40 FDAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1ccccn1)C2 96251141 VKWHTWDRXSCNJP-YLJYHZDGSA-N 366.469 1.431 0 40 FDAB O=C(COCc1nnn2c1CN(Cc1ccco1)CCC2)N1CCCC1 96259007 WZWLPCKAFWWAFT-UHFFFAOYSA-N 359.430 1.416 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1ccccc1 96240077 KGMITOANYLSDIB-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB Cn1cc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cn1 248160559 XKUHDPMHWDALEV-OAHLLOKOSA-N 351.472 1.563 0 40 FDAB CC(C)Oc1cncc(S(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)c1 528542809 ROFJUQPZEKDUNA-MRXNPFEDSA-N 361.423 1.711 0 40 FDAB COCCNC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 243520590 NYYKLZPUPFESFT-UHFFFAOYSA-N 350.415 1.319 0 40 FDAB CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1 257224517 FCDRNBJJCNLIPV-ZHALLVOQSA-N 362.470 1.860 0 40 FDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc(CN(C)C)cc2)CCO1 257332420 XXGORIQBESAABD-MRXNPFEDSA-N 355.442 1.794 0 40 FDAB C[C@H](NC[C@@H]1C[C@H](O)[C@H](O)[C@H]1n1cnc2c(N)ncnc21)c1ccccc1 257287794 PRNWBGLUVUQCTN-LLLJDESDSA-N 368.441 1.042 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)C2CC2)C3)nc1 253600461 NXJCNDJRPSYGJO-ZDUSSCGKSA-N 352.460 1.170 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1c(O)nc(=O)c2ccccc21 270723971 CMCMYEZNLIYILY-HNNXBMFYSA-N 367.409 1.806 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2Cc3ccccc3NC2=O)c1 1648607806 AVANCBYZSQXFDS-HNNXBMFYSA-N 351.362 1.810 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)CCc1cccc(OC)c1F 643947526 YFYQJQWFEMLPHP-SFHVURJKSA-N 352.406 1.521 0 40 FDAB CN(C)c1nc2sc(C(=O)NCc3nc(O)cc(CN)n3)cc2s1 662750719 FAHOVBQUYFYLPS-UHFFFAOYSA-N 364.456 1.308 0 40 FDAB CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C[C@H]1c1ncc[nH]1 681893190 AUYLAFNWNYHRAK-RDJZCZTQSA-N 367.453 1.816 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(Cc2cccc3c2OCCO3)C1 1775957491 XLRZKPPZWHFKDY-CABCVRRESA-N 356.426 1.958 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)OCc1nnnn1-c1ccccc1 32741680 ZYLQLKBIFJKSIO-UHFFFAOYSA-N 358.379 1.423 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)NC12CC3CC(CC(C3)C1)C2 57290118 SQXTWPNGBGLCMJ-UHFFFAOYSA-N 355.486 1.684 0 40 FDAB CCCn1nccc1C(=O)N1CCOC[C@@](O)(COc2cccc(C)c2)C1 1615082628 CSPCBOWNOQCBRB-HXUWFJFHSA-N 373.453 1.884 0 40 FDAB O=C(NCCCn1ccnc1)c1cccc(N2CCCCS2(=O)=O)c1 5345143 HBSSEFJPFWKDJO-UHFFFAOYSA-N 362.455 1.633 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3OC)ccc21 14094110 RAHNRIGSYSXXGF-UHFFFAOYSA-N 367.405 1.991 0 40 FDAB Cc1ccnn1CCC(=O)N1CCc2nc([C@H]3CCN(C)C3)ncc2C1 19238488 YTVADMOJFANTIJ-HNNXBMFYSA-N 354.458 1.376 0 40 FDAB CCN1C[C@@H](C(=O)N(Cc2ccccc2OC)C2CCN(C)CC2)CC1=O 19526849 ZJIVXOFUZIRBQQ-KRWDZBQOSA-N 373.497 1.986 0 40 FDAB Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)n[nH]1 19665328 BBQGLACQQHNLEL-UHFFFAOYSA-N 352.354 1.702 0 40 FDAB CCn1cncc1C(=O)N1CCC([C@@H]2CCCCN2S(C)(=O)=O)CC1 19747094 GHPNLLPBWAXRGZ-HNNXBMFYSA-N 368.503 1.569 0 40 FDAB CCOc1ncc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1Cl 640870586 AZEFKHGAVHVYMO-YUELXQCFSA-N 353.850 1.851 0 40 FDAB Cc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(N2CCOCC2)n1 1889089485 KMKPWARQTXYLJZ-UHFFFAOYSA-N 369.473 1.355 0 40 FDAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(N)(=O)=O 19619218 MTSMNOZZWJZXLK-UHFFFAOYSA-N 361.423 1.401 0 40 FDAB C[C@@H]1CN(C(=O)c2csnn2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 1565551603 TXRRGZDFEJRDDT-HYSWKAIVSA-N 364.471 1.464 0 40 FDAB Cc1csc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)c1 1565547700 WHVQMRVMSVZLHD-HOTGVXAUSA-N 351.516 1.924 0 40 FDAB CC(C)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071509 ORLCOKISXJUDJT-UHFFFAOYSA-N 357.389 1.553 0 40 FDAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cnccn1 17204100 QGTQGMHTADDUIJ-UHFFFAOYSA-N 366.429 1.427 0 40 FDAB O=C(CCc1ccccc1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729891 YQMFRPLPFGZCTJ-DLBZAZTESA-N 369.465 1.848 0 40 FDAB COc1cccc(CNC(=O)CC2=NS(=O)(=O)c3ccccc3N2)c1 33249471 QSTUVPQMMXPHTR-UHFFFAOYSA-N 359.407 1.914 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 38489989 FDLJQGSZAWXIGH-HIFRSBDPSA-N 362.393 1.084 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)n(C(C)C)n1 2332241418 CUASAWNYUCZFEG-NUEKZKHPSA-N 373.457 1.827 0 40 FDAB COc1ccc(/C=c2/sc3n(c2=O)CN(c2ccccc2)CN=3)cc1 1240206 YKWLHYZTMXINMV-GZTJUZNOSA-N 351.431 1.802 0 40 FDAB CN(C)c1cnn(CC(=O)NC2(CN3CCCC3)CCCCC2)c(=O)c1 20994604 ZHUUCIFPWFKPON-UHFFFAOYSA-N 361.490 1.224 0 40 FDAB COc1cc(CNC(=O)CCNS(=O)(=O)c2cccs2)ccn1 32905180 FEWNPNHJGCGQMX-UHFFFAOYSA-N 355.441 1.137 0 40 FDAB Cc1cc(-c2nnc(CN3CCN(CC(=O)NC4CC4)CC3)o2)c(C)o1 22787455 CJKOEDMSGAFNAD-UHFFFAOYSA-N 359.430 1.343 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 22934138 XOIGXGBGGJEXPG-MRXNPFEDSA-N 371.485 1.035 0 40 FDAB C[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 9048467 GNMPRJIQPDPRHW-GFCCVEGCSA-N 367.365 1.035 0 40 FDAB COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2ccccn2)CC1 1469936 SUDHFIRHRLZOPM-MRXNPFEDSA-N 373.453 1.661 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC(F)F)c2)cc1 3237194 YNAFCPZOIBMYJW-UHFFFAOYSA-N 370.377 1.908 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2cc(C)ccc2C)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4569036 YSVLWEZRMAGNEW-FLXSYLCISA-N 365.426 1.424 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3c(c2)CCC3)cc1 7777322 XTJDXEPXUCXSAW-UHFFFAOYSA-N 374.462 1.560 0 40 FDAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10362437 BIGXCUJGFBLHPN-UHFFFAOYSA-N 353.444 1.346 0 40 FDAB COC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccs3)C2=O)CC1 24528682 OIGXBQRCDGIKGI-MRXNPFEDSA-N 351.428 1.358 0 40 FDAB O=C(NCc1ccnc(N2CCCC2)c1)N1CCN(c2cnccn2)CC1 26302280 SXESORKMKYBVDB-UHFFFAOYSA-N 367.457 1.504 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 35301120 QNLWEEMDEMNTPR-HNNXBMFYSA-N 353.488 1.154 0 40 FDAB COc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c1 35485445 CCOUWMFEJPMSFF-ACJLOTCBSA-N 353.422 1.853 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2ccoc2)CC1 24440151 VBCYTFNUKIXLDG-UHFFFAOYSA-N 353.400 1.468 0 40 FDAB COc1ccc(CCNC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 57753296 RVMRHMQCGCOOMB-IBGZPJMESA-N 367.449 1.266 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3cc(F)ccc23)C[C@H](C)O1 58218519 WJGZFVSEHWUMRX-RYUDHWBXSA-N 368.434 1.620 0 40 FDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 110127168 IMVDLEXSMZBVBB-JYRVWZFOSA-N 355.306 1.552 0 40 FDAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccs1 57416092 PCZMEDHDRYKOTJ-AWEZNQCLSA-N 367.496 1.968 0 40 FDAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cnn(C)c4)CC3)n2)cc1 12766001 HITLRRRQEJXPSX-UHFFFAOYSA-N 366.425 1.737 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58368822 VDVFTEYKHHUQJF-AWEZNQCLSA-N 351.378 1.960 0 40 FDAB C[C@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)C[C@H](C)O1 36391074 UICBCCGRRGHDCJ-RYUDHWBXSA-N 359.423 1.050 0 40 FDAB Cn1c(=O)c2c(nc3n2CCCN3C/C=C/c2ccccc2)n(C)c1=O 36370014 QJZAOCHZNPRMRB-UXBLZVDNSA-N 351.410 1.357 0 40 FDAB biogenic Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3cccn3)c12 36619489 GIOIRISDHHOMPM-UHFFFAOYSA-N 365.397 1.948 0 40 FDAB C[C@H](Sc1ccccc1Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 11481304 BEHWHZMLIVIRQS-QMMMGPOBSA-N 353.831 1.683 0 40 FDAB CN(C)c1cc2c(cc1NC(=O)c1cccc(F)c1)n(C)c(=O)c(=O)n2C 20428062 MGHRQFCTUNMGRJ-UHFFFAOYSA-N 370.384 1.695 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCc3ccccc3N3CCOCC3)nc2n1 60060405 HPUSUXOXKGYBAC-UHFFFAOYSA-N 366.425 1.508 0 40 FDAB C[S@@](=O)CCN1CCN(C(=O)c2ccccc2Br)CC1 76020579 LOFFRTAXLSSQTO-FQEVSTJZSA-N 359.289 1.585 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(N2CCCC2)cc1 12074488 FNGLGRWSONBOBD-UHFFFAOYSA-N 364.405 1.929 0 40 FDAB Cc1c(NC(=O)[C@H](C)NC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 3414669 HUCRMEGWVILSTP-XJKSGUPXSA-N 358.442 1.580 0 40 FDAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NN1CCN(C)CC1 2777963 JMTLUGIDYSXCOU-SECBINFHSA-N 353.776 1.703 0 40 FDAB CN(CC(C)(C)O)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 96000313 UIZRZJHTANCTME-OAHLLOKOSA-N 354.472 1.324 0 40 FDAB COc1ccc(C)cc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 4386499 FTQJCLMRKBWZOV-UHFFFAOYSA-N 353.382 1.599 0 40 FDAB CCN(C(=O)/C=C/c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 6881633 RQOAEQBAVOAVMB-YVZNUBBCSA-N 351.424 1.507 0 40 FDAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NC(=O)NC1CCCC1 15808927 AQFWBYNBSZXCPD-LBPRGKRZSA-N 371.397 1.581 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 9530501 MZOISPPSQSFVLT-LLVKDONJSA-N 365.869 1.799 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCN2C1=O 18409713 OIQIYARHTGQNFZ-BXUZGUMPSA-N 356.382 1.177 0 40 FDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1 9743816 HWBWSGQSFGUWTA-LLVKDONJSA-N 355.329 1.985 0 40 FDAB CCC(C)(C)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 84334342 RFMBQASVGXAQOQ-STQMWFEESA-N 351.451 1.829 0 40 FDAB Cc1nc(NC(=O)CSc2n[nH]c(N)n2)nc2c1C(=O)CC(C)(C)C2 20633903 IHZMCEUQTVOFQB-UHFFFAOYSA-N 361.431 1.371 0 40 FDAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 32518848 OTTNJMBFMMAGQD-UHFFFAOYSA-N 364.423 1.923 0 40 FDAB CN1C(=O)N([C@@H]2CCO[C@H]2c2cnn(C)c2)C(=O)[C@@H]1Cc1ccccc1 566673723 YNFCBOAQZZQBOJ-IKGGRYGDSA-N 354.410 1.755 0 40 FDAB CO[C@@H](C)c1noc(CCC(=O)N2CCN3CCOc4cccc2c43)n1 329093882 ATQCHSXRCWAXHJ-LBPRGKRZSA-N 358.398 1.955 0 40 FDAB CCOCCOC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 40161630 OGIFUFCUWQNUOU-VMPITWQZSA-N 369.439 1.300 0 40 FDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cc(-c3ccco3)n[nH]1)C2 225667397 VIARMQPAHCCWIO-RYUDHWBXSA-N 364.427 1.355 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c1 224173625 SYPCUQUKQQWQTM-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB COc1ccc(CN2CC3(CN(CC(C)C)C[C@H]4C[C@@H](O)CN43)C2)cc1 514288467 AYGXOEVPWVETGM-RTBURBONSA-N 359.514 1.656 0 40 FDAB biogenic,in-vitro CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cncc(N3CCOCC3)c2)C1 578097569 BUVASRZWCOUDMP-KFKAGJAMSA-N 372.469 1.295 0 40 FDAB O=c1[nH]c2nc(NC[C@@H]3CCCO3)ncc2c(=O)n1Cc1ccccc1F 90591749 SZHXQXGYUODKSR-LBPRGKRZSA-N 371.372 1.258 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccco3)O2)cn1 96040899 KRWZHNRCLBSFSC-KURKYZTESA-N 356.426 1.816 0 40 FDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)NCc4ccccn4)O[C@@H]3C2)s1 96042846 CABAKNLUPXBTSI-NWANDNLSSA-N 359.455 1.542 0 40 FDAB O=C(NC1CCCCC1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147327 HLSFIVDEUOYZMR-UHFFFAOYSA-N 360.439 1.727 0 40 FDAB CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCc2cc[nH]n2)s1 580732310 LJURMGUPMKIBCZ-BDAKNGLRSA-N 351.436 1.286 0 40 FDAB O=C(NCC1CC1)[C@]12CCCN(CC3CC3)C[C@H]1CN(c1ncccn1)C2 96056157 PUMBXYNSAFQVFX-RXVVDRJESA-N 369.513 1.931 0 40 FDAB CN(C)CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 247942837 AJALYDSFVHYULD-KRWDZBQOSA-N 361.486 1.948 0 40 FDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)c4cccn4C)CO3)C2)no1 248117696 JBFRIRMIBNXFQJ-HNNXBMFYSA-N 358.442 1.733 0 40 FDAB Cc1csc(CN2CCn3cc(C(=O)N4CCOCC4)nc3[C@@H]2C)n1 247941938 GRPAMTDIYRBWNB-ZDUSSCGKSA-N 361.471 1.697 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCCN 257271855 NABLTHULMBUWAH-HXUWFJFHSA-N 371.485 1.549 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257341144 ZIZXRISZCCTYOW-ZDUSSCGKSA-N 351.432 1.239 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2CC(=O)N(C)C)n1 257301093 RWZBTVXNGTUIQN-AWEZNQCLSA-N 355.446 1.852 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2cncc(Cc3ccccc3F)c2)CCO1 257200631 AEDYJBNJZOGEHU-LJQANCHMSA-N 357.385 1.528 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCC1)c1ccccc1 257316163 VEKKYYJVXQVDMJ-ZRNYENFQSA-N 367.449 1.857 0 40 FDAB CN(C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 257264404 LUEYAOUWCSUOAS-OALUTQOASA-N 372.469 1.662 0 40 FDAB NC(=O)CCS(=O)(=O)CCN1Cc2ccccc2[C@H](c2ccccc2)C1 25401288 VWJQKGXIAAHYQY-IBGZPJMESA-N 372.490 1.924 0 40 FDAB Cc1cnc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cn1 253601604 URBJFUZHYZDPLI-OAHLLOKOSA-N 363.483 1.928 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)CCO1 257212838 CFDYOBWZMDXYIE-AWEZNQCLSA-N 352.398 1.688 0 40 FDAB CNS(=O)(=O)c1csc(C(=O)N(C)C2Cc3ccccc3C2)c1 267148367 MMTYIAZKCHDMSR-UHFFFAOYSA-N 350.465 1.896 0 40 FDAB O=C(c1cc(S(=O)(=O)Nc2cnn3ccccc23)c[nH]1)N1CCCC1 641694759 QXFDEXIZBFUKAM-UHFFFAOYSA-N 359.411 1.699 0 40 FDAB CCn1cc(CC(=O)N2CCC[C@@](O)(CC(=O)NC)C2)c2ccccc21 644037840 VCJOWIRPLVCBNG-HXUWFJFHSA-N 357.454 1.693 0 40 FDAB COC[C@H](C)NC(=O)Cc1noc(-c2cc(OC)nc3ccccc23)n1 664845199 WRJQRAOAFNUWTA-NSHDSACASA-N 356.382 1.987 0 40 FDAB Cc1nc2cc(NC(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@H]3C)ccc2o1 674169465 AIEDYMDQAHJJBZ-MFKMUULPSA-N 366.443 1.928 0 40 FDAB COC(=O)c1cccc(CNS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1259385837 NFTJDYBCPAMIDU-UHFFFAOYSA-N 362.363 1.799 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(F)c(F)c2)C1 299207833 AXBUFMQWPIDRHE-GFCCVEGCSA-N 361.414 1.436 0 40 FDAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)Cn2cccnc2=O)C1 585275598 DWYDFDQUVLMPCV-IBGZPJMESA-N 357.410 1.248 0 40 FDAB CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccsc1)CC3 585110203 WOFPDEYKFJPXEY-CQSZACIVSA-N 372.494 1.942 0 40 FDAB O=C([C@H]1CCOC1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1776008293 CAMDFMLRKJROGQ-ZDUSSCGKSA-N 359.813 1.984 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1 75631556 REPOQAVTSHJSKM-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1575972 YYUCTNWOJJIRAB-DGCLKSJQSA-N 354.428 1.624 0 40 FDAB OC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1SC(c2ccccc2)=NN1c1ccccc1 5882947 SQMQFRFGCSHRSM-XLMAVXFVSA-N 360.435 1.003 0 40 FDAB Cn1c(=O)c2ccccc2n2c(CSc3nnnn3C(C)(C)C)nnc12 12641594 RDZUEUATFIGZLS-UHFFFAOYSA-N 370.442 1.615 0 40 FDAB Cc1nc(NC(=O)CSc2nnc(N)s2)nc2c1C(=O)C[C@H](C)C2 13636205 HZMNYJVJDOXNAB-ZCFIWIBFSA-N 364.456 1.715 0 40 FDAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1nc2ccccc2c(=O)[nH]1 16556108 KKXIWBGWXYNGEK-UHFFFAOYSA-N 371.422 1.154 0 40 FDAB O=C(COC[C@@H]1CCCO1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 19292273 WSVJXUMIHFKFDE-DOTOQJQBSA-N 360.458 1.372 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496058 CHTPIMHENCHKKT-GJZGRUSLSA-N 373.501 1.518 0 40 FDAB CCc1n[nH]c(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1C 19520924 RFLJXCUKZSAHGS-UHFFFAOYSA-N 354.458 1.736 0 40 FDAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(c2nccs2)CC1 19583374 WNPRXCXMRPPODA-UHFFFAOYSA-N 363.415 1.554 0 40 FDAB CN1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699942 WXPYNLGDVBVYSK-GOSISDBHSA-N 370.497 1.710 0 40 FDAB CNC(=O)c1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1C 19711156 ZAAFZXNCWLZFHK-AWEZNQCLSA-N 363.443 1.009 0 40 FDAB Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3S(=O)(=O)N(C)C)n2n1 19743532 GYUOXSIIXXMIJN-AWEZNQCLSA-N 366.491 1.043 0 40 FDAB CCn1ccc(NC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)n1 19746399 ZJACERZZBAAJKD-UHFFFAOYSA-N 357.414 1.376 0 40 FDAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cncn3)CC2)c1 19749909 UUDGUDHZRQRVTL-MRXNPFEDSA-N 371.441 1.440 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nncn1C1CC1 10648884 LLBLEYSFRSNQHG-UHFFFAOYSA-N 363.418 1.941 0 40 FDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 5938755 RISNLVKOUKCFNI-MISXGVKJSA-N 350.415 1.053 0 40 FDAB COc1ccnc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1 1888853078 FBCZYKIIRDXQEE-UHFFFAOYSA-N 373.335 1.281 0 40 FDAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(c2ncccn2)CC1 14135516 HXRRPJBHATYBHW-MRXNPFEDSA-N 351.454 1.967 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 21970562 XLOCINLEFCYUMQ-UHFFFAOYSA-N 361.442 1.770 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]2C1 1614929300 NAXWYOHWDCGREH-QBYUYEEZSA-N 359.426 1.310 0 40 FDAB CCOC(=O)c1c(SCC(=O)NC2CCCCC2)nc(=O)[nH]c1C 4317567 QCYCJHJBPZISIU-UHFFFAOYSA-N 353.444 1.796 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(OC)c(OC)c1 10255918 YUWIONLETGLGHQ-MRXNPFEDSA-N 354.406 1.950 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C 11897915 PNHFUEDDUZITRT-OAHLLOKOSA-N 351.472 1.923 0 40 FDAB Cc1ncsc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730028 SVPYQZQWZGTVFF-SNVBAGLBSA-N 356.473 1.136 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20112544 RAEKRNMFIUHZNC-INIZCTEOSA-N 362.407 1.861 0 40 FDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NCc1cccs1 32777758 LEBFXBAHLKWKGI-SECBINFHSA-N 373.481 1.442 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1CN1CCCC1 52399816 WPUVCYXSNPPAHF-MRXNPFEDSA-N 364.515 1.689 0 40 FDAB CCN(CC)CCNC(=O)C1CCN(C(=O)Nc2nccs2)CC1 52460564 ROHNOXRVHKVGMD-UHFFFAOYSA-N 353.492 1.845 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 32820100 WEAJMGORPYKBMU-UHFFFAOYSA-N 361.377 1.629 0 40 FDAB CCCCN(C(=O)CSc1nc(C2CC2)n[nH]1)[C@H]1CCS(=O)(=O)C1 22613654 ANUYWKPWOJLKNA-LBPRGKRZSA-N 372.516 1.590 0 40 FDAB CN(C)CCOC(=O)N[C@H](OCCN(C)C)C(Cl)(Cl)Cl 3167903 UZRGIRPLKHSQNO-SECBINFHSA-N 350.674 1.549 0 40 FDAB Cc1ccccc1CS(=O)(=O)NCCN1C(=O)COc2ccccc21 23010015 FCDBTQXSGKMSAZ-UHFFFAOYSA-N 360.435 1.840 0 40 FDAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3288408 BDCSEGOIXNOBGR-UHFFFAOYSA-N 354.409 1.499 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC#N)c(OC)c1 7553149 RNXSGTZTZZJVJN-OAHLLOKOSA-N 361.423 1.953 0 40 FDAB O=c1cc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc2ccccn12 24193267 PBRXZYJAZGIBNM-UHFFFAOYSA-N 362.433 1.952 0 40 FDAB COC(=O)C1(NS(=O)(=O)c2ccc(OC)c(OC)c2)CCCCC1 24483876 FBCFDYFQEMSMKP-UHFFFAOYSA-N 357.428 1.858 0 40 FDAB O=C(NCc1nnc2n1CCC2)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 24444579 JQQKVUKAMRTCLZ-HNNXBMFYSA-N 365.437 1.382 0 40 FDAB CCCCN(CCO)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC 8428543 DFCQMGPSDOHJGL-OAHLLOKOSA-N 355.431 1.316 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2Cl)CC1 12543071 OOJFWVFRRQSDKU-LBPRGKRZSA-N 350.850 1.839 0 40 FDAB O=C(Nc1nc(C2CC2)cs1)N1CCN(C(=O)[C@H]2CCCO2)CC1 43650716 ZYPJYEVNVSQMPX-CYBMUJFWSA-N 350.444 1.876 0 40 FDAB CC(C)CCn1c(=O)c2ccccc2n2c(CN3CCOCC3)nnc12 25777234 QTHLOYGCFHYHNU-UHFFFAOYSA-N 355.442 1.923 0 40 FDAB CCOC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OCC 1746284 AUKXJFZODQEBRR-UHFFFAOYSA-N 373.409 1.906 0 40 FDAB COC(=O)c1cc(CNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC 12698622 LNMQVEDUYBZONZ-KRWDZBQOSA-N 357.362 1.938 0 40 FDAB Cc1nnc(NC(=O)c2ccc(C(=O)Nc3nnc(C)s3)nc2)s1 2088262 ATWPYEQSKSXJGY-UHFFFAOYSA-N 361.412 1.906 0 40 FDAB COc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c(OC)c1 29520264 GZGIONDFWRVRDG-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB O=C(NCCNc1ncnc2[nH]cnc12)c1cccc(Br)c1 58210851 YDBRBZDUTKQWSX-UHFFFAOYSA-N 361.203 1.957 0 40 FDAB COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@H]5OC(=O)[C@]16[C@@H]1[C@H]([C@H]3[C@H]6[C@H]45)[C@@H]2[C@H]2C(=O)CC[C@@H]21 104285477 OBSYNFQRTLYMIV-HFIATZSASA-N 354.402 1.444 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCC(C(N)=O)CC1 3327184 XNRIWHUVWDCQMP-UHFFFAOYSA-N 368.817 1.294 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc3ccccc32)cc1 36366053 DTMVWUHYMBOBLH-UHFFFAOYSA-N 357.435 1.648 0 40 FDAB COc1ccc(CC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1F 48303462 LWONYKONKNBAOQ-UHFFFAOYSA-N 374.416 1.531 0 40 FDAB CCOc1cc(C(=O)N[C@H]2CCCNC2=O)cc(OCC)c1OCC 60211917 SYTGANQPUVEPSX-ZDUSSCGKSA-N 350.415 1.891 0 40 FDAB Cc1cc(NC(=O)CN2CCC(C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 12943290 COWLFQZQAQGLCN-AWEZNQCLSA-N 354.476 1.222 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 13132859 ZABNRUIUGRXNAU-OKILXGFUSA-N 362.426 1.473 0 40 FDAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCCC2)c1 4195109 YGJZZLJIEKLYIF-UHFFFAOYSA-N 353.469 1.694 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1cccc(C)c1C 49958164 AVKHUWNUUKYLPI-CQSZACIVSA-N 366.487 1.490 0 40 FDAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 9314866 LRMJXHBCSQRTNE-BFUOFWGJSA-N 361.442 1.728 0 40 FDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 65591476 GTNKMFZORTYOHO-ZFWWWQNUSA-N 367.515 1.451 0 40 FDAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c(O)c1 5341629 WWLACIBCPGKSEU-UHFFFAOYSA-N 372.406 1.990 0 40 FDAB O=c1cc(CSc2nnnn2C[C@H]2CCCO2)nc2sccn12 14123748 MEHZVJLSZHCIHC-SNVBAGLBSA-N 350.429 1.214 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C 5473887 RJNSWYVUESESMT-UHFFFAOYSA-N 357.443 1.958 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12C[C@@](CO)(CC(=O)O)CO2 5528099 NOXPDYBFDJSFHH-AVPYEELCSA-N 370.486 1.805 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCC[C@@H]1CO 95452976 VDWJXMMIMCLFGS-TZMCWYRMSA-N 374.890 1.676 0 40 FDAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(N)(=O)=O)CC2 71796247 KQGXFAJUIQZKRI-HNNXBMFYSA-N 354.453 1.916 0 40 FDAB COc1cc(CCC(=O)N[C@@H]2CCCCNC2=O)cc(OC)c1OC 6945979 DDMYPGHHQJIACT-CYBMUJFWSA-N 350.415 1.430 0 40 FDAB O=C(NCCc1c[nH]c2ccccc12)c1cn(C[C@@H]2CCCNC2)nn1 67673578 QPUXPXSMJJMXLN-CQSZACIVSA-N 352.442 1.732 0 40 FDAB Cc1nonc1NC(=O)CCNC(=O)c1ccc(Br)cc1 71853304 XGPLDPNVXIAAOL-UHFFFAOYSA-N 353.176 1.899 0 40 FDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68533216 VIRGLECCYUBBON-SJORKVTESA-N 366.421 1.188 0 40 FDAB CCNC(=O)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8367762 FNWZMUJJNULTKU-UHFFFAOYSA-N 356.426 1.379 0 40 FDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1F 17480787 FDRZCZUILGVXDJ-UHFFFAOYSA-N 355.391 1.998 0 40 FDAB C[S@@](=O)CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 83990108 ZBMUQRXHBWKYPN-FQEVSTJZSA-N 362.245 1.719 0 40 FDAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)n1CC(F)(F)F 9883569 IHZULJJYOGTJEV-SNVBAGLBSA-N 361.320 1.764 0 40 FDAB Cc1nn(C)c2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc12 28557293 ZTQCRZRHQIHRRJ-UHFFFAOYSA-N 357.462 1.836 0 40 FDAB C[C@]1(c2cccnc2)NC(=O)N(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1=O 97148261 VKTUWFZVUZWPSC-HNAYVOBHSA-N 366.377 1.874 0 40 FDAB COC(=O)[C@H](CCN1CCCCC1)NC(=O)COc1ccccc1OC 72306524 AKKSKJZJSZNRBS-HNNXBMFYSA-N 364.442 1.608 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2O)CC1 22797094 WLRRWFOCNSIFTK-SNVBAGLBSA-N 354.790 1.282 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 34862948 KOSFCNDKMPLCEK-PKIAMQTDSA-N 364.423 1.446 0 40 FDAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218500655 YIGHDHVYLNNDSZ-ZOBUZTSGSA-N 350.367 1.829 0 40 FDAB CCOC(=O)Nc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 217361129 KSOHFXPAXCOLAG-LBPRGKRZSA-N 362.429 1.184 0 40 FDAB Cc1c([C@@H](C)NC(=O)c2ccc(=O)n(CC(=O)N3CCCC3)c2)cnn1C 72392205 DTMKNVQADRDPDY-CYBMUJFWSA-N 371.441 1.004 0 40 FDAB NC(=O)c1cnn2c(O)cc([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 72352934 ZCOWKMKJFOCHEB-VIFPVBQESA-N 355.329 1.193 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccco2)cc1 225301793 UXRDWTBOTWIYAZ-UHFFFAOYSA-N 366.439 1.658 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)s1 224112197 WIQWWGVGUBBRAY-UHFFFAOYSA-N 370.456 1.471 0 40 FDAB CC(C)Cn1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O 49407929 YCKGUKFWLFNUMC-UHFFFAOYSA-N 352.460 1.573 0 40 FDAB COCC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 40122353 FSGGYZPWKNVGRV-UHFFFAOYSA-N 372.425 1.295 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccs1 40043185 VQKSSJPQZFGHGK-HNNXBMFYSA-N 358.467 1.821 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O 95474953 JHLGTXKPGMFGDY-HNNXBMFYSA-N 363.389 1.548 0 40 FDAB CCc1nnn(-c2ccc(NC(=O)CSc3nnc(N)s3)cc2)n1 98087236 LMFFWOCIUTWSCV-UHFFFAOYSA-N 362.444 1.389 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244135 IIJCQSSKQIKFSP-KRWDZBQOSA-N 364.471 1.264 0 40 FDAB CCNc1cnc(-c2noc([C@@H]3CC(=O)N(c4nccs4)C3)n2)cn1 585084893 JMKBMMOBPQLUOH-SECBINFHSA-N 357.399 1.935 0 40 FDAB O=C(c1cccc2c1OCCO2)N1CCOC[C@@H]1CCc1cnccn1 257335436 YKDHWHYFDTWUIJ-HNNXBMFYSA-N 355.394 1.722 0 40 FDAB Cc1n[nH]cc1CN1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257221955 DRHDAZZFQFDEOL-INIZCTEOSA-N 369.469 1.965 0 40 FDAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CCC(=O)O)C3)c2n1 257239177 HOFQXPMDPNXWHP-IBGZPJMESA-N 372.425 1.203 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257309556 UBKGLEMGHRRLAT-HNNXBMFYSA-N 359.455 1.784 0 40 FDAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 35374819 HWZNOCCEAGAHOW-LRDDRELGSA-N 367.405 1.573 0 40 FDAB biogenic Cc1nnccc1NC(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1C 622840344 IGXSNLBAWSCYNZ-GUYCJALGSA-N 354.414 1.518 0 40 FDAB Cc1ccc(CC(=O)N2CCN(C(=O)c3csc(CO)n3)CC2)cc1 630885779 VOGVIMIUYUACAV-UHFFFAOYSA-N 359.451 1.471 0 40 FDAB Cc1cc(CNC(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)n(C)n1 644475651 YACCYPVPFKRATB-HXUWFJFHSA-N 356.470 1.762 0 40 FDAB CC[C@H](CNS(=O)(=O)N1CCC(C(=O)O)CC1)Oc1cccc(C)c1 645991033 AXUFZWZHCVOETR-OAHLLOKOSA-N 370.471 1.783 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCc2ccc(F)cc2)C[C@@]2(CCO[C@@H]2C)O1 656976725 PYWZUADESLTYCC-CKEIUWERSA-N 357.447 1.966 0 40 FDAB O=C(O)COc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 659759082 OUHGVHKDEOGTNZ-CQSZACIVSA-N 356.382 1.339 0 40 FDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(CC(=O)O)cs2)C1 675945631 WUKNRPMIKQYZAY-WDEREUQCSA-N 353.444 1.993 0 40 FDAB CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C[C@@H]1c1ncc[nH]1 681893189 AUYLAFNWNYHRAK-NVXWUHKLSA-N 367.453 1.816 0 40 FDAB Cc1nnc2n1C[C@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)CC2 683385544 GQYKIXAHFXBUDB-LLVKDONJSA-N 358.427 1.360 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1CCCN2CCCC[C@H]12 96343529 QSHDOFBECMHGOI-RDTXWAMCSA-N 354.454 1.846 0 40 FDAB biogenic CCOc1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 298128159 XCBPEWCEZLPBID-UHFFFAOYSA-N 356.378 1.747 0 40 FDAB O=C(c1ccnc(F)c1)N1Cc2nccn2C[C@H](CN2CCOCC2)C1 585110678 ILCVRXUHUGKDLH-AWEZNQCLSA-N 359.405 1.022 0 40 FDAB CC(C)N1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585103921 GWNYWAQMOKSPGH-OAHLLOKOSA-N 358.364 1.959 0 40 FDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)Cn3ccccc3=O)C2)c1 585276932 QEWWIZJUZWIPKF-FQEVSTJZSA-N 356.422 1.589 0 40 FDAB O=C(c1ccnc(F)c1)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1 585110679 ILCVRXUHUGKDLH-CQSZACIVSA-N 359.405 1.022 0 40 FDAB Cc1nc(N2CCN(c3ccc4nncn4n3)CC2)cc(C(F)(F)F)n1 585149278 FKMGUUMKZKOWFF-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)N1CCOCC1 5787313 USUGCCIINCPIHO-MRXNPFEDSA-N 361.467 1.737 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859206 YDLUCODCJLECIE-GYSYKLTISA-N 364.295 1.952 0 40 FDAB O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2 12114396 YFBJTNUHHIEEMD-UHFFFAOYSA-N 355.394 1.732 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 12146627 ANJODSOBOGOBIR-UHFFFAOYSA-N 354.322 1.453 0 40 FDAB CCn1ncc(CN2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)c1C 12276769 WXKRWVWQTZZOIR-JXFKEZNVSA-N 367.453 1.784 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C)CC1 16609148 TUTUQMUMXNCZPE-UHFFFAOYSA-N 358.435 1.713 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCC3)nc(O)c2C1 19018052 JRNFUALTFWMRDB-INIZCTEOSA-N 358.442 1.941 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCC(NC(=O)c3ccnn3C)CC1)O2 19219167 LUUZWIOPVULHPD-UHFFFAOYSA-N 368.437 1.962 0 40 FDAB Cc1ccc(C(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCNC3)n2)cn1 19709662 FKEIPUMMUIOTFL-OAHLLOKOSA-N 368.485 1.985 0 40 FDAB O=C(c1ccc(F)cc1)N1CCCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 563371838 SCFLAFCNRRABCP-OAHLLOKOSA-N 368.430 1.077 0 40 FDAB Cc1nc(N2CCC(NC(=O)c3cn(C)nn3)CC2)cc(C(F)(F)F)n1 575606348 VFFFHQMNXGVGEQ-UHFFFAOYSA-N 369.351 1.331 0 40 FDAB NC(=O)C1CCN(C2CN(C(=O)c3cccc(OC(F)(F)F)c3)C2)CC1 390825973 VLJFFVYWEQPTPM-UHFFFAOYSA-N 371.359 1.607 0 40 FDAB CCc1cccc2c(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 6033783 LNUVEGGGYYGHEL-UHFFFAOYSA-N 365.393 1.360 0 40 FDAB O=C([C@@H]1CN(c2nc3cnccc3s2)CCO1)N1CCSCC1 1888842933 KQJMBLCZYZTVJD-LBPRGKRZSA-N 350.469 1.472 0 40 FDAB O=C([C@H]1CCCCO1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888853382 PSPQZIVMHCXADY-GFCCVEGCSA-N 350.394 1.416 0 40 FDAB CC(C)c1nccc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 1889091887 AKDDDFGGJQCTPV-UHFFFAOYSA-N 369.473 1.553 0 40 FDAB CCOC(=O)[C@H]1CSCCN1Cn1nc(-c2ccc(F)cc2)oc1=O 24613202 NXCXXYOAVVRRMA-CYBMUJFWSA-N 367.402 1.580 0 40 FDAB O=C(Cc1ccncc1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984704 KWHXNDULDYUEDQ-OAQYLSRUSA-N 365.433 1.906 0 40 FDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1sccc1Br 97013301 FUZMRBRPXUQGJK-MRVPVSSYSA-N 363.262 1.916 0 40 FDAB O=C(NC1CCCCC1)[C@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 2056225593 SQLDUVLQENNQCL-QAPCUYQASA-N 365.499 1.952 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nccc(C)n5)C[C@H]4C3)ncnc21 2087026221 SSZRTTDXQQOBOS-OKILXGFUSA-N 350.430 1.517 0 40 FDAB COC1(CC(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)CCC1 1565546798 DUMVYTAXPSTUAU-IRXDYDNUSA-N 353.507 1.199 0 40 FDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)CCc1cncnc1)CCC2 1565543446 GQGLAPGLBRERTK-UHFFFAOYSA-N 368.441 1.161 0 40 FDAB O=C(C1CC(F)(F)C1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565550554 BOGWBUYNSVTUEO-HOTGVXAUSA-N 351.397 1.929 0 40 FDAB COc1cc(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)on1 1565555346 XZPMGEJPOQPSRJ-UHFFFAOYSA-N 351.366 1.776 0 40 FDAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)C3CC3)CC2)c1 11796605 SDORITSBZRMWGX-UHFFFAOYSA-N 365.499 1.363 0 40 FDAB COc1nc(CNC(=O)c2cc(F)c(F)c(OC)c2F)nc(OC)n1 575608408 TVGIBZHUAPIARV-UHFFFAOYSA-N 358.276 1.245 0 40 FDAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC2(CC1)OCCO2 40068223 WZVAZGOQTDUZBU-UHFFFAOYSA-N 368.433 1.864 0 40 FDAB CC(C)Oc1ccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 40071189 UMHVUQMECFXHKP-OAHLLOKOSA-N 354.472 1.209 0 40 FDAB O=C1CN(c2ccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)cn2)CCN1 40090577 KVJHCZZJCSEVTB-OAHLLOKOSA-N 366.377 1.258 0 40 FDAB O=C(CN1CCN(c2nccs2)CC1)Nc1nnc(-c2ccccc2)o1 31559869 BEMHBSZAGDUDDA-UHFFFAOYSA-N 370.438 1.954 0 40 FDAB CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32070896 IQYZKFLASSRVHF-CQSZACIVSA-N 355.391 1.010 0 40 FDAB O=c1c(NCc2ccco2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101691969 VYNISWNWOKHJQS-UHFFFAOYSA-N 351.406 1.810 0 40 FDAB CCOC(=O)CNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 40930122 ADUXEMGBZYSADJ-UHFFFAOYSA-N 372.425 1.628 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21549485 VWINMSDQJJVVKR-OAHLLOKOSA-N 363.483 1.799 0 40 FDAB O=C1COc2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2N1 32907651 FAIJUJZOWYIFGH-UHFFFAOYSA-N 354.322 1.992 0 40 FDAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCCCC1 21897404 GHUUKPGHNWLADK-OAHLLOKOSA-N 352.456 1.770 0 40 FDAB CC(C)C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]12 103004761 ACFSALJTHZUQDJ-OHKKWDFDSA-N 369.465 1.886 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 8993906 HNHPFYQBCRHELZ-UHFFFAOYSA-N 367.405 1.536 0 40 FDAB CS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2cccs2)c1 42243642 UGIGWXPXFLYERV-UHFFFAOYSA-N 359.450 1.411 0 40 FDAB CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 828094 IEZVTENJFUTBCW-INIZCTEOSA-N 362.382 1.820 0 40 FDAB COC(=O)c1cnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 24364740 JXXFJJVCTAVNEN-UHFFFAOYSA-N 373.390 1.945 0 40 FDAB CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 8314157 KHKSIOWOUFCAHZ-ZDUSSCGKSA-N 367.471 1.206 0 40 FDAB 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DUMVYTAXPSTUAU-SJORKVTESA-N 353.507 1.199 0 40 FDAB Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 16847473 BOPGTDMRJKPUAA-SFHVURJKSA-N 374.462 1.873 0 40 FDAB CC(C)CC(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055772913 VFWYPXLQGISGBF-UHFFFAOYSA-N 360.380 1.925 0 40 FDAB O=C(c1ccncc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781476 KAAYJYXZEFSINF-UHFFFAOYSA-N 353.426 1.436 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(COc2ncccn2)CC1 1775969206 BJJKUBAHUGIVEG-UHFFFAOYSA-N 365.459 1.307 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NCc1nc(C2CCOCC2)no1 575615497 DHDYRGGCQPLYOD-UHFFFAOYSA-N 374.397 1.506 0 40 FDAB Cc1nc(N2CCC(Oc3ccn4nccc4n3)CC2)c2cnn(C)c2n1 2298103478 ZCHHCUDYQVRLIX-UHFFFAOYSA-N 364.413 1.762 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccsc1 96096215 GWLPVDHIZACNEG-CFAJVAMVSA-N 354.424 1.914 0 40 FDAB NC(=O)c1nn(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c2ccccc12 16472234 MOKOEVAELVXBRD-MRXNPFEDSA-N 362.389 1.299 0 40 FDAB Cn1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1=O 40059840 PFCFLMBXFREMHW-MRXNPFEDSA-N 360.435 1.215 0 40 FDAB C[C@H](NC(=O)COC(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCCO2 21331977 PETRXDOYUXGYEL-NSHDSACASA-N 373.361 1.903 0 40 FDAB COC(=O)c1ccc(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102581872 BEGKIBDGTBOYPY-HZPDHXFCSA-N 370.405 1.431 0 40 FDAB COc1cccc(CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1OC 102700586 RBJSLEZAMQNVFR-GASCZTMLSA-N 372.421 1.613 0 40 FDAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C 22461789 ITASZIMHSOOFBU-UHFFFAOYSA-N 367.515 1.976 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2sccc2C1 12216435 UGTWGYBFZMDABW-UHFFFAOYSA-N 355.419 1.726 0 40 FDAB O=C(CNC(=O)c1cccnc1OCC(F)(F)F)NCC(F)(F)F 47179408 QHAYCUGOBAQUGW-UHFFFAOYSA-N 359.226 1.431 0 40 FDAB O=C(NCCC(=O)N1CCC[C@H](O)C1)c1ccc(Br)cc1 22737327 GFRZILNXFDLBCU-ZDUSSCGKSA-N 355.232 1.552 0 40 FDAB COCCCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 2932843 GKQHMQWVGQGSFS-UHFFFAOYSA-N 352.394 1.606 0 40 FDAB COc1ccccc1NC1=NN/C(=c2\ccc3c(c2)CC(=O)N=3)CS1 104981193 YWIOUNAFSJIXKW-RVDMUPIBSA-N 352.419 1.225 0 40 FDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 4375546 OIOPYFCJWKFUPC-HNNXBMFYSA-N 354.472 1.603 0 40 FDAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6204793 NUXYCWXCGBELMA-VXGBXAGGSA-N 358.460 1.675 0 40 FDAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(N)=O 6611316 AYHASZFLYFOHTK-UHFFFAOYSA-N 361.217 1.588 0 40 FDAB CCOc1ccc(-n2c(C)nnc2SCC(=O)NCCOC)cc1 6935120 GTJSVMNUJZLRGN-UHFFFAOYSA-N 350.444 1.829 0 40 FDAB COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NC(C)C 8475936 HVXKWFCAYSEPAP-UHFFFAOYSA-N 372.487 1.927 0 40 FDAB O=C(NC[C@H]1COCCO1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 55318020 QIWAHESHJVHCMB-WDEREUQCSA-N 358.847 1.538 0 40 FDAB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccn(C)n1 12508296 ZWVYELVGFSGTKQ-UHFFFAOYSA-N 374.216 1.770 0 40 FDAB O=C1NCc2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c21 12526436 WPFYCWNAMDFJSW-UHFFFAOYSA-N 360.391 1.892 0 40 FDAB CS(=O)(=O)N1CCCN(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 108389014 CLRNIFANULLEFS-OAHLLOKOSA-N 355.435 1.286 0 40 FDAB CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 3202893 RGYWWDAZFGCLFC-UHFFFAOYSA-N 359.451 1.875 0 40 FDAB C[C@H](CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1 58192301 XGBYBXIZDLXXHI-GFCCVEGCSA-N 373.434 1.689 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C[C@H]1CCOC1)C1CC1 48273283 URSIBLMFLKMZGR-QWHCGFSZSA-N 370.446 1.520 0 40 FDAB CC[C@H](C(=O)N1CCC(NS(=O)(=O)N(C)CC)CC1)c1ccccc1 72709096 KWCGVNIKVIBHIE-KRWDZBQOSA-N 367.515 1.957 0 40 FDAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 28321917 WTDSCJHZVJJVKN-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB Cc1ccsc1S(=O)(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108534741 JYSFIUKIDCOSEW-GJZGRUSLSA-N 356.513 1.930 0 40 FDAB CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)O 100780813 SSBAWYYRBSCSAF-QXSJWSMHSA-N 369.506 1.508 0 40 FDAB Cc1ccccc1/C=C/c1nc(SCc2cc(=O)n(C)c(=O)n2C)n[nH]1 12847924 APMCOLYECSYMPL-CMDGGOBGSA-N 369.450 1.973 0 40 FDAB COc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1OC(F)F 3489838 ZACQFBYMBZIEFB-LLVKDONJSA-N 359.325 1.749 0 40 FDAB CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 93024948 NYVKNIPKQWMKRB-OAHLLOKOSA-N 374.441 1.895 0 40 FDAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 6184494 CXAPRDNXZAFEPU-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB Cc1cc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C)s2)no1 9252892 ALQZYNWEXQUSSS-UHFFFAOYSA-N 350.400 1.180 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2csc(-c3ccccc3)n2)n(C)c1=O 5172941 NTOXPXHVLZEGHA-UHFFFAOYSA-N 353.407 1.606 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 4475867 HUOVFTMQCBZIAH-FQEVSTJZSA-N 367.405 1.779 0 40 FDAB CCN(CC)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 14064560 BWQLOCDNWHJKNW-UHFFFAOYSA-N 366.487 1.625 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(N2CCOCC2)nc1 14138508 MXAFDGUXZVCFJY-UHFFFAOYSA-N 354.410 1.216 0 40 FDAB CC(C)OCCCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408617620 BZTRPFKFXAJDSJ-UHFFFAOYSA-N 360.451 1.519 0 40 FDAB O=C(c1ccoc1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 19740530 UKLHWYZCDOVEMN-RTBURBONSA-N 373.428 1.816 0 40 FDAB Cn1c(=O)c2c(ncn2CCNc2ccc(F)c(Cl)c2)n(C)c1=O 9364419 DYSJKDOOMNZPRL-UHFFFAOYSA-N 351.769 1.338 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 9537210 WKWUFRMGSLZMDA-HNNXBMFYSA-N 368.455 1.796 0 40 FDAB CCN(CCn1cccn1)C(=O)c1cnc(-c2csc(C)n2)nc1O 91587162 JMEPYJOJOTWMLB-UHFFFAOYSA-N 358.427 1.973 0 40 FDAB CCn1cnnc1CNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1 95461301 QEBMNLGHOFCNNT-UHFFFAOYSA-N 356.411 1.676 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(C(=O)O)c(F)c1)NC1CCCCC1 545545510 BRWDAOYBDBFKPT-UHFFFAOYSA-N 358.391 1.251 0 40 FDAB Cn1c(=O)c2cc(C(=O)N[C@@H]3CCc4c(O)cccc43)sc2n(C)c1=O 556140563 CPCDNNQJYDTYAV-GFCCVEGCSA-N 371.418 1.422 0 40 FDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408621689 LWMTZJBGOSGPKA-CQSZACIVSA-N 372.487 1.603 0 40 FDAB Cn1ncc(C(=O)N[C@H](CO)CN2CCCCC2)c1Cc1ccccc1 512349888 CDQLHMYYVHMULL-KRWDZBQOSA-N 356.470 1.588 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(c2cnccn2)CC1 70898293 NUXJFKKWVLTZQC-UHFFFAOYSA-N 371.485 1.816 0 40 FDAB COc1ccccc1C(=O)NCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 32902846 UFPNFSXPYDNLBQ-UHFFFAOYSA-N 367.405 1.956 0 40 FDAB CCN(CC)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224977803 ISGRRUBJJQNBKE-UHFFFAOYSA-N 370.471 1.872 0 40 FDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(F)cc1F 224274980 TZEFRFKUNIQSPZ-UHFFFAOYSA-N 356.354 1.392 0 40 FDAB COC(=O)[C@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 223035172 QOCIEFJSRGQIKQ-CYBMUJFWSA-N 371.374 1.337 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)n1 96106942 OFTRFINUHBDZAL-INIZCTEOSA-N 356.426 1.796 0 40 FDAB Cc1ccc(CN2C[C@@H]3[C@@H](C(=O)NC(C)C)CCS(=O)(=O)[C@@H]3C2)o1 96250937 BONNWLNSGJEUCU-ARFHVFGLSA-N 354.472 1.348 0 40 FDAB COc1cc(CO)c(Br)cc1OCC(=O)N1CCOCC1 95095170 XCOBZEJYVZUHFG-UHFFFAOYSA-N 360.204 1.188 0 40 FDAB O[C@@H]1[C@@H](NC2Cc3ccccc3C2)CO[C@H]1CN1CCC(F)(F)CC1 514289122 UWWVMMPOWFIDET-OKZBNKHCSA-N 352.425 1.603 0 40 FDAB biogenic,in-vitro Cc1cccc(CN2CC[C@]3(CCCN(C(=O)[C@@H]4CCCO4)C3)C2=O)n1 96224726 RWWFMBMGNQRSRS-PXNSSMCTSA-N 357.454 1.910 0 40 FDAB COCCNC(=O)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 96267352 FQRIEYIOZARYDO-UHFFFAOYSA-N 356.470 1.848 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccs2)C[C@@]2(CC(=O)N(C)C2)C1 97952758 PMYRZVNWOZWPNV-SFHVURJKSA-N 364.515 1.832 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CN(CCOC)c1ccc(F)cc12 96161029 GAKMZCFUDVILBB-UHFFFAOYSA-N 356.463 1.975 0 40 FDAB CCN1CC[C@H](NC(=O)N2CCC(O)(Cc3ccccc3F)CC2)C1=O 585080652 RTSSAWVEXWISQA-INIZCTEOSA-N 363.433 1.526 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 248152421 XASDSOYOHMXQEB-SFHVURJKSA-N 370.453 1.698 0 40 FDAB COc1cc(N2CCC3(CC2)CN(C(C)=O)C[C@H]3COCC2CC2)ncn1 247967327 XNNJYTKYXKGDFW-KRWDZBQOSA-N 374.485 1.977 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc34)CCO2)n1 257298598 RMKCFZURHFGHAQ-AWEZNQCLSA-N 353.382 1.179 0 40 FDAB CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CC1 288460231 SKRPAOUWYGCTLW-ABAIWWIYSA-N 353.444 1.232 0 40 FDAB Cn1cncc1[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 685309571 HKHBTQCZHQGUQH-INIZCTEOSA-N 351.414 1.692 0 40 FDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CC[C@H](n2cccn2)C1 291184765 KWSUMOWNRSVNSL-ROUUACIJSA-N 352.438 1.890 0 40 FDAB CN(CC1CCN(Cc2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585292032 VUSKLHZTXQTFOK-QRVBRYPASA-N 352.450 1.090 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585273367 SUIJAWJPVCYVCB-HXUWFJFHSA-N 357.454 1.494 0 40 FDAB COCC(=O)N1CCN(C(=O)NCc2ccoc2)CCC12CCOCC2 1775961243 JGRVODDNBALPEM-UHFFFAOYSA-N 365.430 1.219 0 40 FDAB C[C@H](CN1CCOCC1)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 95453219 VLEVXCGSRSDNPX-GFCCVEGCSA-N 358.435 1.277 0 40 FDAB Cc1cc(N2C[C@@H]3CN(c4nc(C)nc5c4cnn5C)C[C@H]3C2)ncn1 585415254 GFGFVRMKTDTQHF-ZIAGYGMSSA-N 350.430 1.343 0 40 FDAB O=C(NCCCn1cccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 19659937 YTARWLRHPFOMPQ-CQSZACIVSA-N 370.409 1.214 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)NCC2CCN(C(C)=O)CC2)c1 163280391 GBHVWGZOGFEVCE-UHFFFAOYSA-N 352.456 1.816 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 165684151 STYMHWVDXIPRTC-DSIZOQBWSA-N 370.405 1.508 0 40 FDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 922907 CJSKVHYJYTUGBD-UHFFFAOYSA-N 368.480 1.758 0 40 FDAB Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NCc1nc(C2CC2)no1 1116050995 OVEXXSNJMNLMBZ-UHFFFAOYSA-N 367.369 1.067 0 40 FDAB COC1(CNC(=O)NCc2ccc(F)cc2)CCN(S(C)(=O)=O)CC1 1889208410 YJBSIHLJAFTJGL-UHFFFAOYSA-N 373.450 1.066 0 40 FDAB Cc1cnc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037839687 AKMZPVCCDYGAPO-IBGZPJMESA-N 370.384 1.572 0 40 FDAB COc1cnc(C(=O)N2CC3(C[C@@H](N4CCC(C)CC4)CS3)C2)cn1 2056223627 WXHGRKRZLXRDFB-CQSZACIVSA-N 362.499 1.917 0 40 FDAB CCc1ccc(C(=O)N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)cn1 1614940586 PUBKJWDFCGHBON-FQEVSTJZSA-N 358.486 1.660 0 40 FDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)C3(F)CC3)C[C@@H]21)NCc1cccs1 1565549676 YZGHBUPFWKUGMT-IACUBPJLSA-N 352.431 1.730 0 40 FDAB COC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479782 HSGBQAGRMQRLGA-NWDGAFQWSA-N 351.403 1.143 0 40 FDAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)C3CC3)c2=O)c1 12072223 JPIAEHNQPUMUFI-UHFFFAOYSA-N 351.410 1.476 0 40 FDAB COc1ccccc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729854 UPYCTWYRJDFFKE-ZDUSSCGKSA-N 365.455 1.380 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CCOCC(=O)N(C)C)C2)o1 2055751215 VXWUECWPACYUMO-HNNXBMFYSA-N 360.414 1.477 0 40 FDAB O=C(CCc1ccccc1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19370950 NIBZXFLKPBSTMJ-INIZCTEOSA-N 364.453 1.652 0 40 FDAB O=C1CN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CCN1 40088533 JMPNDESXFJYRPF-UHFFFAOYSA-N 363.373 1.982 0 40 FDAB CCCNC(=O)CN(CCC)C(=O)c1cccc(CS(C)(=O)=O)c1 40155302 SIIGBCCPIBBMTM-UHFFFAOYSA-N 354.472 1.610 0 40 FDAB CCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 31001492 GDXAKSJAODMKCC-UHFFFAOYSA-N 373.409 1.249 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 101018467 XHCAJMOHXPDZHW-KOLCDFICSA-N 350.718 1.114 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 22008531 VRTRUVHJWQRQFR-UHFFFAOYSA-N 370.862 1.950 0 40 FDAB CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1cccnc1)[C@H](C)[C@H](C)N2 18212576 IQNMVFBOBKVYSC-WDEREUQCSA-N 370.413 1.609 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)c1cnc2scc(C)n2c1=O 79486492 BMUQJCTXYPQUKA-JTQLQIEISA-N 355.441 1.089 0 40 FDAB O[C@H]1[C@@H](OCc2ccccc2)[C@@H](O)[C@@H](COCc2ccccc2)O[C@H]1O 4789431 IUJRWTGQTYKGLM-JAZQRGJZSA-N 360.406 1.228 0 40 FDAB CCOc1ccccc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O 7066117 PFLMSRZSVDMLQT-UHFFFAOYSA-N 372.487 1.783 0 40 FDAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 7131511 XUGXNDSVIPKVMU-GTNSWQLSSA-N 367.352 1.027 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NC[C@@H]1CCCO1 54919162 WYPOPZLVFIUMCF-KGLIPLIRSA-N 374.441 1.571 0 40 FDAB COCCNC(=O)NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 8752627 IRNCZFLDKPIOJF-UHFFFAOYSA-N 358.442 1.820 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100420601 KNVMWZZOFDJBPK-WZTLGTBRSA-N 364.829 1.927 0 40 FDAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCNC1=O 25221597 DZOXUQBLGSOSQB-UHFFFAOYSA-N 372.347 1.306 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 58215128 KKCCNCJCTSOSDH-HNNXBMFYSA-N 362.455 1.116 0 40 FDAB O=C1CCCN1C[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 2154273 OTZXEXLVKDHHQU-GFCCVEGCSA-N 366.266 1.892 0 40 FDAB Cc1cc(CNC(=O)CCNS(=O)(=O)c2c(C)noc2C)ccc1F 10552264 VBGFOKPAZWYQIV-UHFFFAOYSA-N 369.418 1.724 0 40 FDAB Cn1c(CN2CC2)c(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O 36360087 OYEWOGVPDHFRPY-UHFFFAOYSA-N 355.438 1.428 0 40 FDAB O=C(Cc1noc(C(=O)NCc2ccncc2)n1)NCc1ccccc1 36358431 BHFGYSRGTVTVME-UHFFFAOYSA-N 351.366 1.254 0 40 FDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccccc1 27027410 RLEILIZZRPPLKV-UHFFFAOYSA-N 357.435 1.897 0 40 FDAB CS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22227830 YHEMRBZHHLJJKZ-UHFFFAOYSA-N 360.501 1.389 0 40 FDAB COc1ccc(OC)c(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 20033399 KMIVZXVGUUNVNX-UHFFFAOYSA-N 364.423 1.210 0 40 FDAB CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3442405 XIHQAXNJMWHQMQ-UHFFFAOYSA-N 367.471 1.117 0 40 FDAB COc1cc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC 12917291 MAMYIWXVCCWOFC-GFCCVEGCSA-N 356.444 1.622 0 40 FDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC[C@@H](C)O)n3)ccc12 20724117 LHLOVQPEOBPXRM-SNVBAGLBSA-N 359.338 1.174 0 40 FDAB biogenic CCN(C(=O)CSc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 4166122 AYVGLTVJWDPJCO-LBPRGKRZSA-N 371.480 1.586 0 40 FDAB COc1ccc(Br)cc1CN(C)CCCNS(C)(=O)=O 49982794 XZJQSDZXXCFBHQ-UHFFFAOYSA-N 365.293 1.829 0 40 FDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CCCO2)c(=O)[nH]c1=O 6609299 YWFIIMAPZJNKKF-ZDUSSCGKSA-N 366.462 1.477 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1 6640338 XHQWNEBDQMTFHP-CQSZACIVSA-N 359.304 1.141 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2[C@@H](Oc3ccccn3)CCS(=O)(=O)[C@H]2C1 306140466 UUKVLGGLCYQSQP-IKGGRYGDSA-N 372.446 1.788 0 40 FDAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 9315285 VTECHNRNWOGEGB-JTQLQIEISA-N 368.436 1.888 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CCCCC3)CC2)cc1 8312168 WQUJZFWIXKOYLF-UHFFFAOYSA-N 365.499 1.913 0 40 FDAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)cc1 28576787 KPRNYLGHECEARV-ZDUSSCGKSA-N 353.382 1.755 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998973 ZGYAWINBSWBEKD-MRXNPFEDSA-N 370.446 1.021 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl 95956544 PCEAXPLDEKZPJJ-LBPRGKRZSA-N 359.835 1.192 0 40 FDAB O=C(c1ccccn1)N1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306135151 OJISOFDIBQPMIS-OAQYLSRUSA-N 373.416 1.888 0 40 FDAB CN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(I)cc1 55211398 YUNVXLBQNYYSHT-LLVKDONJSA-N 374.178 1.477 0 40 FDAB Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1C(=O)O 540294219 HVESDFZDCQQDBL-UHFFFAOYSA-N 351.384 1.633 0 40 FDAB Cc1cc(C)n2nc(NC(=O)N[C@H]3COc4ccc(F)cc4C3)nc2n1 565272404 XEPNSNZDEFVBFW-CYBMUJFWSA-N 356.361 2.005 0 40 FDAB NC(=O)C1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 72334235 XUVRVTIIIDQCKO-UTQVJTIVSA-N 368.433 1.771 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1)c1ccccc1 223051411 WWNRPJNPGOYMNW-NSHDSACASA-N 368.440 1.248 0 40 FDAB COCCn1ccc2nc3ncnn3c(-c3ccccc3OC)c2c1=O 40398249 UPUDRQVOPYZOFP-UHFFFAOYSA-N 351.366 1.761 0 40 FDAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCN1CCOCC1 42646393 PMVJNRTXEGVGCF-UHFFFAOYSA-N 370.247 1.144 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCOc1ccc(F)cc1 224283090 PDYYOQOYUZKTLG-IYBDPMFKSA-N 360.385 1.662 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@H]2c2nccc(N3CCCC3)n2)cn1 96218839 YWNNIDXYTHCSIT-INIZCTEOSA-N 353.426 1.994 0 40 FDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ccc(C)nn3)C2)C1 96229195 MLMRLOACPPNRML-MRXNPFEDSA-N 354.476 1.054 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 96051912 ZQVOEJDKGNFKKZ-WMLDXEAASA-N 352.456 1.824 0 40 FDAB CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(C(=O)c1cccs1)C2 96208332 OHTUHUTYNFXHMJ-HIFRSBDPSA-N 358.485 1.309 0 40 FDAB COc1ccccc1OCCN1C[C@H](C(=O)NCc2cccnc2)CC1=O 96232605 KRKRFGJSVAREAO-MRXNPFEDSA-N 369.421 1.634 0 40 FDAB COc1ccc(CN2CCn3cc(CN4CCN(C)CC4)nc3C2)cc1 96059424 KVJGOQZOHQKVIO-UHFFFAOYSA-N 355.486 1.655 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]12 245227033 XBJPWUIUZSUXFV-SYWGBEHUSA-N 363.753 1.234 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cscn3)CC2)cn1 257268596 MMJGOFSFJYMHOZ-UHFFFAOYSA-N 359.455 1.664 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)COC 252516163 QKADZLWLXDYNMR-MJBXVCDLSA-N 362.289 1.941 0 40 FDAB C[C@]1(c2ncc(CNC(=O)c3cnn4cccnc34)cn2)CCCCO1 257318117 VMPDSYHQCWEBAM-GOSISDBHSA-N 352.398 1.865 0 40 FDAB Nc1nccnc1C[C@@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 257226352 FKIKRLIYMFMDRW-HNNXBMFYSA-N 353.474 1.904 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)no1 257309810 UCLRVORUVYWCDC-GFCCVEGCSA-N 368.397 1.357 0 40 FDAB Cc1ccsc1C(=O)N1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 253598261 FBONEYPGHWZXES-LBPRGKRZSA-N 368.484 1.389 0 40 FDAB CCC(CC)[C@@H](N)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)[C@@H]1O 607716133 SECXLAHYOAZIGA-FQKPHLNHSA-N 358.479 1.813 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1 90613046 YBMWCRLUANCUAM-OAHLLOKOSA-N 352.412 1.383 0 40 FDAB CS(=O)(=O)[C@@H]1CN([C@H](C(=O)O)c2ccccc2)C[C@H]1C(F)(F)F 656758709 LTSSEDVOFKSOGH-UTUOFQBUSA-N 351.346 1.720 0 40 FDAB Cc1cc(F)ccc1C[C@H](C)NS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 656716060 FTQUEVKPDABZBR-GXTWGEPZSA-N 358.435 1.696 0 40 FDAB COC(=O)CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCSCC1 1776111216 HCMZSUXJFMXLRM-UHFFFAOYSA-N 355.412 1.098 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122062 QIQILKOKVTYTJV-UHFFFAOYSA-N 363.420 1.724 0 40 FDAB Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CC(=O)N(C)C)C[C@H]23)no1 585109741 NMPMERUTMBFNIN-TXPKVOOTSA-N 368.437 1.571 0 40 FDAB Cc1ccc(C)c(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 585112650 USAFMPPVDVVPLV-GOSISDBHSA-N 362.499 1.996 0 40 FDAB Cn1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)ccc1=O 585288302 USIMDKAIZKDHIP-SQGPQFPESA-N 354.406 1.145 0 40 FDAB CCOCC(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CCOC 585107511 YQJZFOQGVOHSBA-FQEVSTJZSA-N 370.453 1.803 0 40 FDAB CCc1ccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cc1 585104998 NNHVOVNILRUUPJ-QGZVFWFLSA-N 352.500 1.779 0 40 FDAB CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nc(C)ncc2Cl)cn1 685940134 VSIDKKQPRFMIMP-QWHCGFSZSA-N 351.794 1.231 0 40 FDAB CCOc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)ccn1 685942465 NNYITCPIMFVBJH-CYBMUJFWSA-N 357.414 1.672 0 40 FDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)Cc3ccc(OC)cc3)[C@@H](C)C[C@H]21 1775964435 UDWMUVRMXBPERK-WQANXHIZSA-N 374.481 1.873 0 40 FDAB biogenic,in-vitro C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1CCCO1 84636512 MLOUGRGKKDAUCB-MELADBBJSA-N 372.512 1.975 0 40 FDAB NC(=O)Cc1ccc(N[C@H]2CC(=O)N(CCc3ccccc3F)C2=O)cc1 85877567 OPRMAHPTUORPMH-KRWDZBQOSA-N 369.396 1.636 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1O 96004336 QJJIZRAWPOJOSI-HEWZJLJBSA-N 354.410 1.989 0 40 FDAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)cc2)N1)OCCCO4 12539403 KTOKFDYYCYTQLL-INIZCTEOSA-N 351.366 2.000 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)s1 14165661 JSHHGQJCIIZQRK-CYBMUJFWSA-N 373.544 1.666 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc3c(c1)C[C@@H](C)O3)CC2 19286394 CGWZTTZDQWERSM-CYBMUJFWSA-N 367.449 1.962 0 40 FDAB COc1cccc2c1CC[C@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 156021540 PAJCGNQLELRGMM-BLLLJJGKSA-N 363.439 1.819 0 40 FDAB COc1ccccc1[C@H]1N=C(NC[C@@H]2CCCO2)Nc2nc(C)cc(=O)n21 101983190 WXLNGXIOSRQQMU-GUYCJALGSA-N 369.425 1.657 0 40 FDAB CCn1cncc1CN1CCC(c2nnsc2S(C)(=O)=O)CC1 12121359 WVKISWDEPPKKIA-UHFFFAOYSA-N 355.489 1.538 0 40 FDAB CN1CCN(C2=NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)CC1 12972919 ZUDZFQBCDHSUNT-ZDUSSCGKSA-N 350.419 1.400 0 40 FDAB Cc1nc(C(C)(C)C)nc(N2CCN(c3ccc4nncn4n3)CC2)c1F 1888888473 UKKWYVIGQGRJIF-UHFFFAOYSA-N 370.436 1.986 0 40 FDAB CCn1cnc2c(N3CCN(c4nccn5nc(C)cc45)CC3)ncnc21 1888914253 MYDWHFRCOLNPTR-UHFFFAOYSA-N 363.429 1.524 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(C(=O)[C@@H]4CCOC4)CC3)cnc2c1 1848736053 SNLZZZOMZUEOAY-OAHLLOKOSA-N 371.437 1.680 0 40 FDAB Cc1cnccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037985026 VLFHSIOKJNPXRJ-ZHALLVOQSA-N 369.396 1.652 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1ccccn1 252499223 RXLSRDZESQVEQM-UHFFFAOYSA-N 362.353 1.215 0 40 FDAB COCCCN1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O 100219242 ZPFJIQHGBMTWFK-YPMHNXCESA-N 367.199 1.574 0 40 FDAB Cc1ccc(C(=O)NC2CCN(Cc3nnnn3-c3ccccc3)CC2)o1 51097423 CHOGHBLFFSBJJI-UHFFFAOYSA-N 366.425 1.958 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1cccc(OC)c1 4570624 CSNRUPLXLVVEAQ-HNNXBMFYSA-N 370.405 1.960 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2S1(=O)=O 4940788 MWRUTLYBLSMQIO-JTQLQIEISA-N 374.374 1.587 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750702 QZXAYYHBUZIMEZ-SJLPKXTDSA-N 354.410 1.672 0 40 FDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738763 OSVWAWRRXWDKKW-NSHDSACASA-N 370.365 1.781 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055746066 GXXLOGGHTMBBDP-CGTJXYLNSA-N 372.469 1.436 0 40 FDAB O=C([C@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCC(F)(F)CC1 2086884625 VZWJVMKQXFCJEZ-LLVKDONJSA-N 358.414 1.878 0 40 FDAB CN(C(=O)Cc1c[nH]c2ccccc12)C1CN(c2ccc3nncn3n2)C1 585592592 KBEGQORRMHWDCD-UHFFFAOYSA-N 361.409 1.495 0 40 FDAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)NCc3ccc(F)cc3)ccc21 244955860 GCMOILRDVRHIAO-SFHVURJKSA-N 369.396 1.783 0 40 FDAB Cc1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1S(C)(=O)=O 40141751 NCHOPASJACJJOD-UHFFFAOYSA-N 370.434 1.909 0 40 FDAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1)C(C)C 32124378 FROVKFMRLBSWEF-HOCLYGCPSA-N 357.414 1.659 0 40 FDAB biogenic Cc1ccc(C)c(-n2nnnc2SCCn2nc3ccccn3c2=O)c1 32815453 BCMDZEYCEHJHGC-UHFFFAOYSA-N 367.438 1.881 0 40 FDAB CN1C(=O)C[C@H](N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 102930364 WILPDLKGFJJIJC-NSHDSACASA-N 359.304 1.213 0 40 FDAB CCCn1nc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)ccc1=O 22901391 SHFKQHVBBDQKKZ-UHFFFAOYSA-N 358.398 1.281 0 40 FDAB COC(=O)c1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1 104567966 VJSBWJNRJPOCLH-IAISJRAMSA-N 360.366 1.130 0 40 FDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4288770 OYNFNNYKCDUWOX-LJQANCHMSA-N 355.394 1.839 0 40 FDAB CCOc1cc([C@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)ccc1O 4908617 BZSJGXXUXHBPLL-YEWWUXTCSA-N 362.382 1.448 0 40 FDAB Cc1ccc(-n2nnc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)c2C)cc1 55180787 BQUCLEJLGRYFMI-MRXNPFEDSA-N 353.426 1.767 0 40 FDAB CN(C)CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 10111597 NGXDCPIFJJGGKG-UHFFFAOYSA-N 368.286 1.437 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1 12551908 SWXOEZZOJAZMDK-UHFFFAOYSA-N 368.480 1.945 0 40 FDAB COCCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 8104985 JXRKHUMFUVUKIK-UHFFFAOYSA-N 368.499 1.993 0 40 FDAB Cc1ccccc1OCc1nnc(SCC(=O)N2CCN(C)CC2)o1 8571624 WNCMLUSGHLLPFF-UHFFFAOYSA-N 362.455 1.823 0 40 FDAB Cc1ccc(C(=O)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 25819073 FSTXZUQHESAZNF-HNNXBMFYSA-N 361.419 1.987 0 40 FDAB O=C(NCC(=O)N1CCCc2ccccc21)[C@@H]1COc2ccccc2O1 57268751 NKBBANBBGMGGBM-SFHVURJKSA-N 352.390 1.922 0 40 FDAB O=C(CSc1nc2ncccn2n1)N1CCN(c2ccccc2F)CC1 10076383 GWLUMQAEGMCTFF-UHFFFAOYSA-N 372.429 1.704 0 40 FDAB CCN(CC(=O)N(C)C)C(=O)c1cc(Br)c2c(c1)OCCO2 58291052 PJVSFMSIRNRDOG-UHFFFAOYSA-N 371.231 1.771 0 40 FDAB CC(C)[C@H](Sc1nnc(-c2cccs2)n1CC(N)=O)C(=O)N(C)C 58215523 HQOBZMHBBZVOJT-LBPRGKRZSA-N 367.500 1.697 0 40 FDAB CC(=O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 2158468 VNLQNGYIXVTQRR-CDYIDROHSA-N 362.466 1.780 0 40 FDAB O=C(c1cccs1)N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 12799045 UKWPJZIFTHYDOQ-UHFFFAOYSA-N 361.467 1.783 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 25246803 LABGTANQYXAAAW-UHFFFAOYSA-N 366.483 1.608 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(F)cc2)C1=O 3369345 YLTAZQVZWYBIGY-UHFFFAOYSA-N 365.361 1.418 0 40 FDAB CC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(OC)cc1 11237973 FCXBXXPYFHDPTC-HNNXBMFYSA-N 355.398 1.406 0 40 FDAB O=c1c2cn[nH]c2nc(SCCN2CCOCC2)n1-c1ccccc1 36646137 CPUHKGMWNIJRSP-UHFFFAOYSA-N 357.439 1.533 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3ccsc23)C[C@@H](C)O1 29625464 ISOWLCPEOJCDNS-PHIMTYICSA-N 356.473 1.542 0 40 FDAB C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCOCC1 62886132 HVCVIZHRZJNLFF-CYBMUJFWSA-N 356.422 1.828 0 40 FDAB CC(=O)NCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 22755171 YOXHYXDSNWQOCJ-SFHVURJKSA-N 353.422 1.800 0 40 FDAB CCOCc1nn2c(=O)c(NC(=O)c3ccccc3OC)cnc2s1 13999771 AQAVSQPFJYUJSS-UHFFFAOYSA-N 360.395 1.948 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)ccc1OC 14239554 AEVXTEMKBVOSPU-UHFFFAOYSA-N 360.395 1.337 0 40 FDAB CCOC(=O)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 4672057 HXSNPWVDVPUPBI-UHFFFAOYSA-N 364.452 1.787 0 40 FDAB CN(CC(=O)Nc1nnc(C2CC2)s1)S(=O)(=O)c1ccc(F)cc1 6608706 SAIZWQUAONCGRR-UHFFFAOYSA-N 370.431 1.814 0 40 FDAB CCC[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)CCN1CCOC 95452151 YYTQUGMHCJYQED-OAHLLOKOSA-N 361.442 1.554 0 40 FDAB CCOC(=O)c1ccc(N2C(=O)C=C(NCc3ccncc3)C2=O)cc1 4818576 KDPFSNRCAPSYSF-UHFFFAOYSA-N 351.362 1.805 0 40 FDAB COc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2N)cc1OC 9476661 IQPYKQCQOPJSRC-UHFFFAOYSA-N 367.409 1.839 0 40 FDAB Cn1c(Cl)cnc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 15485249 NHVKTTNXHMAXAC-UHFFFAOYSA-N 368.890 1.721 0 40 FDAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1 67800993 ZKDNDLNAFHXFJU-UHFFFAOYSA-N 355.460 1.947 0 40 FDAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7478863 MYZMILKSCQKUHA-SFHVURJKSA-N 372.450 1.975 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O 7427172 HXRVPPPIPDXNEX-FQEVSTJZSA-N 367.405 1.649 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)c2cc(C)ccc2C)c(=O)[nH]c1=O 8184224 LHBDJFIQOQQLPV-UHFFFAOYSA-N 374.441 1.439 0 40 FDAB Cc1ccc(O)c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)c1 9513760 RLDQYIWBUBSPOF-UHFFFAOYSA-N 362.407 1.987 0 40 FDAB Cn1c(CNC(=O)Cc2ccc3c(c2)OCO3)nc2ccccc2c1=O 95996756 YLGDSAYVMXVNEY-UHFFFAOYSA-N 351.362 1.521 0 40 FDAB O=C(N[C@@H](CO)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 95983078 BPAFYCKNRPALEX-KRWDZBQOSA-N 360.435 1.690 0 40 FDAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1cc(C)ccc1OC 39985630 NCGZYQKUELMNIU-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC)CC2)ccc1OCC 408700947 OUEJUCINHZYIOP-UHFFFAOYSA-N 369.487 1.161 0 40 FDAB COC(=O)c1c(SCC(=O)Nc2cccc(F)c2)nc(=O)[nH]c1C 31618225 KSXWUHJWMNLXLE-UHFFFAOYSA-N 351.359 1.735 0 40 FDAB Cc1cc(CN2CCN([C@@H](C(=O)NC(N)=O)c3ccccc3)CC2)no1 39519866 HRRMWROKYQLBHI-MRXNPFEDSA-N 357.414 1.037 0 40 FDAB CN1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 78969024 YUJUEZLVDSKRCO-KRWDZBQOSA-N 365.499 1.440 0 40 FDAB CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCC([C@@H]2CCNC2)CC1 565362640 KAINNJJAAXIEKN-MOPGFXCFSA-N 366.527 1.895 0 40 FDAB CC1CCC(NC(=O)COC(=O)CNC(=O)COc2ccccc2)CC1 39188050 YLEMPQAMAJVBKV-UHFFFAOYSA-N 362.426 1.420 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 223274568 AZGWTJKILZIAPR-UHFFFAOYSA-N 364.423 1.299 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc4nnnn4n3)C2)cc1 95473997 PURWYIIXZWPQJC-CQSZACIVSA-N 367.413 1.061 0 40 FDAB CN1CCC(n2ccc(NC(=O)N(C)Cc3nccn3C(F)F)n2)CC1 330212444 KELVAGWJJOECQB-UHFFFAOYSA-N 367.404 2.405 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)cc1 95473998 PURWYIIXZWPQJC-AWEZNQCLSA-N 367.413 1.061 0 40 FDAB CCOCCn1nc(C(=O)OCC)c(I)c1N 95094663 CAFBTTZKOKGGAY-UHFFFAOYSA-N 353.160 1.283 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1nccs1)CC2 247833676 IHZLZYPUSXGUPV-ZDUSSCGKSA-N 359.517 1.263 0 40 FDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248113468 KUHQJQRDGFFKHW-CQSZACIVSA-N 356.430 1.458 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CC[C@](O)(CN2CCOCC2)C1 257273455 NGQCWNXACRXRMQ-KRWDZBQOSA-N 356.825 1.317 0 40 FDAB COc1ccc(CCN2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1OC 25305375 KARXPQZXEMPXDH-AWEZNQCLSA-N 372.425 1.467 0 40 FDAB CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](C(F)F)C2)cc1 585080165 YPLLFKOMEVHQRE-ZDUSSCGKSA-N 362.398 1.020 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1C 257211873 CAWRNOBNTGEVGP-MJGOQNOKSA-N 361.486 1.599 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1ccc(-c2cnccn2)n1 253472030 HYXPIMVAQSEMSE-DUXPYHPUSA-N 363.377 1.898 0 40 FDAB CO[C@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@]12CCCO2 257218571 DDPFZCAEDQBDIZ-PKOBYXMFSA-N 361.442 1.853 0 40 FDAB CNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 25591107 NMGOZBIMAHEOHU-UHFFFAOYSA-N 353.378 1.948 0 40 FDAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1OC 260900008 RNLWYGCGKMHXAH-GFCCVEGCSA-N 358.460 1.631 0 40 FDAB Cc1nc(C)c(S(=O)(=O)N[C@H](C(=O)O)c2c(C)nn(C)c2C)s1 548534070 PCKWELLKRMAEGF-NSHDSACASA-N 358.445 1.214 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 644035026 FEJBUWXSBLUFLR-IBGZPJMESA-N 356.426 1.035 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@]3(O)CCc4ccccc43)cc21 96025820 RLQLEPMNMKLTLQ-SFHVURJKSA-N 374.418 1.244 0 40 FDAB CN(Cc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cn1 25778268 GRBKUZKNQCRXSM-UHFFFAOYSA-N 353.469 1.800 0 40 FDAB COc1cc(F)ccc1CC(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093118 CQUFVSBLELFUKY-MRXNPFEDSA-N 356.344 1.751 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1 585099072 HXBCHGYNFKNIFS-ZDUSSCGKSA-N 355.394 1.625 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc4cc(C)ccc4o3)C2)C1 685941880 IWSGTUKWSQUFEW-CYBMUJFWSA-N 355.394 1.160 0 40 FDAB COC(=O)c1c(SCC(=O)NCCC2=CCCCC2)nc(=O)[nH]c1C 31618192 CWYRAHSFSZFXNU-UHFFFAOYSA-N 365.455 1.964 0 40 FDAB O=C(NC1CC1)C1CCN(C[C@H](O)COCc2ccccc2F)CC1 56511307 NAZAAHNSOPYJAP-KRWDZBQOSA-N 350.434 1.694 0 40 FDAB Cc1nnsc1C(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007980 PZLKHMOJNIGLOA-UHFFFAOYSA-N 371.344 1.749 0 40 FDAB CCCCNC(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 95998796 KOKFVFFLPKUVAW-KRWDZBQOSA-N 366.506 1.284 0 40 FDAB CCNC(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970307 ARTUQOYLTYGVLJ-UHFFFAOYSA-N 352.402 1.036 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NC[C@H]1CCCO1 12086841 VQOZPFUIWFLCNJ-OAHLLOKOSA-N 374.437 1.366 0 40 FDAB C[C@H](CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21)n1cncn1 12201448 KTZZIBYDIDMDHA-CYBMUJFWSA-N 371.441 1.678 0 40 FDAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCOC(C)C)Oc2ccccc21 13678128 MPEMGHRUQHXXQG-MRXNPFEDSA-N 370.471 1.535 0 40 FDAB CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)cc1 14405877 VLUKECBERUAUFU-UHFFFAOYSA-N 350.382 1.980 0 40 FDAB CC(=O)N[C@@H](ON1C(=O)[C@@H](O)Oc2ccccc21)C(Cl)(Cl)Cl 16320939 UTYWSVRKHPQYPE-QWRGUYRKSA-N 369.588 1.494 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cc(C)no2)C1 19119755 LPMMGQMSTBOHLW-LJQANCHMSA-N 355.394 1.953 0 40 FDAB COc1ccc2c(c1)N[C@@H](C1CCN(C(=O)C3CC3)CC1)NS2(=O)=O 19562640 LOLXNUFYUOFCTE-MRXNPFEDSA-N 365.455 1.374 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 103466466 GAIVQYTUYNNYQU-OKILXGFUSA-N 357.410 1.794 0 40 FDAB CCOc1ccc(N2C[C@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1 4373746 BVVXPNHWCUAPHC-OAHLLOKOSA-N 374.441 1.064 0 40 FDAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)O 16899686 JZIWFGRTZHUIMN-STQMWFEESA-N 364.423 1.258 0 40 FDAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)N1CCOCC2(CCC2)C1 571023531 MSNVTKGVMPOGLY-AWEZNQCLSA-N 364.467 1.770 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3ncnc4c3nnn4-c3ccccc3)[C@H]2C1 1888890773 POKUBDKOAJXUTA-INWMFGNUSA-N 363.425 1.656 0 40 FDAB Cn1ccc(CN2CCN(c3nccc(-c4ccncc4)n3)CC2)cc1=O 2086978725 YIBKFEKQBBMWMO-UHFFFAOYSA-N 362.437 1.560 0 40 FDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]21)NCc1cccs1 1565546140 UQPLOUWQIKJNNQ-NJZAAPMLSA-N 360.439 1.265 0 40 FDAB Cc1ccc(C)c(Cn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4370662 SMOJHRBMZWBDEF-UHFFFAOYSA-N 365.437 1.968 0 40 FDAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940735 WOUIQXPFMNTFMK-LLVKDONJSA-N 360.391 1.867 0 40 FDAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2cccnc2)C1=O)c1ccco1 9303161 FRFQSDFKNWLGRQ-AWEZNQCLSA-N 368.271 1.619 0 40 FDAB COc1cc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)on1 2055796233 WNFBVQQGDRTWFK-CYBMUJFWSA-N 363.414 1.078 0 40 FDAB O=C(NCC(F)(F)F)[C@]1(n2ccnc2)CCCN(Cc2cn[nH]c2)C1 2055771654 PEVAAWURCPOHKZ-AWEZNQCLSA-N 356.352 1.276 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(N(C)C)cc2)C1 2055772537 SBBBPWRGKSIMMG-IBGZPJMESA-N 355.442 1.327 0 40 FDAB COc1ccc(NC(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 575614862 AHCBILPQCVNAQU-UHFFFAOYSA-N 370.475 1.335 0 40 FDAB O=C([C@@H]1CCCN(Cc2nnc3n2CCC3)C1)N1CCC(F)(F)CC1 2298188619 HJRSDDWOBDXVHH-CYBMUJFWSA-N 353.417 1.694 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)c2n[nH]c3ccccc23)CC1 31597692 STZWCNLLWWOSNR-UHFFFAOYSA-N 350.444 1.497 0 40 FDAB Cc1nc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)sc1CC(N)=O 32765475 HKVQVEAITWFVGY-ZETCQYMHSA-N 353.477 1.166 0 40 FDAB NC(=O)CSc1nnc(SCc2cnn(-c3ccccc3)n2)s1 32925520 MINNCOPEVBTNPS-UHFFFAOYSA-N 364.481 1.989 0 40 FDAB C[C@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(=O)O 61719454 OFVQYTCONPQTTR-LBPRGKRZSA-N 351.362 1.653 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 1707475 NONJJLVGHLVQQM-APAOZMKASA-N 364.423 1.086 0 40 FDAB O[C@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@H]1CCCO1 79076660 VNOPHRLKZSECQJ-QZTJIDSGSA-N 354.454 1.806 0 40 FDAB COc1ccc(NC(=O)Cn2ccc3c(cnc4nc(C)nn43)c2=O)cc1 79478538 JDJOBPDARRBSHI-UHFFFAOYSA-N 364.365 1.395 0 40 FDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(CCc2ccccn2)CC1 79493347 YDVPWIQZYUZSOF-UHFFFAOYSA-N 363.425 1.058 0 40 FDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCCc2ccccc21 3455123 LJBQTJRSOLCTBK-UHFFFAOYSA-N 355.394 1.699 0 40 FDAB O=C(COC(=O)c1cn(Cc2ccccc2)nn1)NCc1ccccc1 23349570 FWXCLSAWGMLJJH-UHFFFAOYSA-N 350.378 1.800 0 40 FDAB CCOc1ccc(N2C[C@@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 4303436 MYLGNNRHFONKTR-ZDUSSCGKSA-N 361.423 1.564 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 104867358 SWVHDJRQBDSBSD-DVOMOZLQSA-N 357.414 1.760 0 40 FDAB NC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NC3CCCC3)cn2)C1 12592563 VYCJQIHWCJQDFV-LBPRGKRZSA-N 352.460 1.004 0 40 FDAB CCn1c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 10744556 DPLOHTMEJNRPDF-UHFFFAOYSA-N 353.378 1.868 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1sccc1S(=O)(=O)N1CCCCC1 25182742 FOAJHAACIYPGJA-LBPRGKRZSA-N 358.485 1.832 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1C(=O)NC1CC1 35286988 PRXIIENKAATHHZ-UHFFFAOYSA-N 370.453 1.072 0 40 FDAB COc1cccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 57024687 ICCKINOZPLSXGV-YESZJQIVSA-N 361.486 1.842 0 40 FDAB CCCCNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 21874533 QBRIKBJKBQDOOX-UHFFFAOYSA-N 366.487 1.943 0 40 FDAB O=C1NC(=O)[C@H]2[C@@H]1Sc1[nH]c(=O)sc1[C@@H]2c1c[nH]c2ccccc12 100859915 YCDBVPWWHITLPH-MXWKQRLJSA-N 357.416 1.797 0 40 FDAB COCc1nnc(NC(=O)c2csc(NC[C@@H]3CCCO3)n2)s1 44921952 BZUYTYLZNAOQDD-QMMMGPOBSA-N 355.445 1.984 0 40 FDAB COCCN1CCN([C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 58307022 PQNIQUDPHXAGAD-GOSISDBHSA-N 358.442 1.927 0 40 FDAB CCOc1ccc(OCCNC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 12748459 YAXJCPUSYMDSAQ-UHFFFAOYSA-N 359.426 1.913 0 40 FDAB COC(=O)c1cccc(COC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103060324 CFVKYCWATICINK-KCXAZCMYSA-N 371.389 1.856 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccccc1Cl 104279723 UTLNGNXQYJDZNJ-HNNXBMFYSA-N 359.817 1.866 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29517526 MMAMQBIAWQXOKV-JKSUJKDBSA-N 359.426 1.680 0 40 FDAB CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 102334693 VDHKLNURAYLARL-QSFUFRPTSA-N 352.412 1.787 0 40 FDAB CC(C)CNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029244 BVLXHVMZLLOMDM-AWEZNQCLSA-N 359.469 1.033 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CS2 29166456 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INQALZLQLUFCDK-UHFFFAOYSA-N 354.366 1.212 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3592851 RBTZECJKGVMCLJ-UHFFFAOYSA-N 373.453 1.999 0 40 FDAB CC(C)[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)NC(N)=O 5579790 UPPQNCLORFEFOD-NSHDSACASA-N 353.473 1.779 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncn5C)C[C@@H]4C3)n1)CCC2 1888866232 DGRCOCHXOAWERQ-KBPBESRZSA-N 352.442 1.216 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@H]4C3)nn12 1888890374 GKPJZJBNYCJXLJ-GASCZTMLSA-N 366.400 1.780 0 40 FDAB O=C(c1ccc(Cl)s1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238879111 OUNSZJSGABONEI-UHFFFAOYSA-N 374.875 1.661 0 40 FDAB Cc1nc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)cs1 1565542461 CABVLNHTIHJSLR-UHFFFAOYSA-N 361.471 1.179 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(F)cc1 2952281 ZFQODSVLTZVNCN-UHFFFAOYSA-N 355.369 1.926 0 40 FDAB CC(C)N1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 4275465 QEZVVIDQYMPXRC-UHFFFAOYSA-N 351.428 1.440 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(Cl)c1 9827377 HMULHCCNHDXPIK-UHFFFAOYSA-N 368.846 1.506 0 40 FDAB COc1ccc(-n2ccn(CC(=O)Nc3ccccc3F)c(=O)c2=O)cc1 15675234 GJIJMWOBWDIXDO-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB O=C(CC1CCOCC1)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739384 TYZUEIADQRKPOC-CQSZACIVSA-N 361.442 1.605 0 40 FDAB Cn1cccc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)c1=O 2055747262 QUKGPMAVBICFQW-MUJYYYPQSA-N 352.394 1.127 0 40 FDAB CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3cccc(OC)c3)nc12 49400364 ZQEXAAKMNJZVGH-UHFFFAOYSA-N 370.413 1.385 0 40 FDAB COc1ccc(NC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)cc1OC 49410878 KBHPJBZAMSJDHF-UHFFFAOYSA-N 372.425 1.808 0 40 FDAB O=C(COc1cc(=O)oc2ccccc12)N1CCN(c2ccncc2)CC1 575413734 GGSBYJYVFVMCOX-UHFFFAOYSA-N 365.389 1.916 0 40 FDAB Cc1nn(CCNC(=O)CN(C)S(C)(=O)=O)c(C)c1-c1ccsc1 575614837 KBGCOYADTAHJTG-UHFFFAOYSA-N 370.500 1.236 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccsc2)cc1 618255482 QTBWBMXJBLRLAY-INIZCTEOSA-N 368.480 1.979 0 40 FDAB CCOC(=O)CC(=O)CSc1ncnc2c1nnn2-c1ccccc1 4166577 HTJCGYIPGVMACT-UHFFFAOYSA-N 357.395 1.825 0 40 FDAB O=C(CCc1ccccc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19370948 NIBZXFLKPBSTMJ-MRXNPFEDSA-N 364.453 1.652 0 40 FDAB COc1cccc(CN2CC[C@H](c3nn(CCN)c4nccnc34)C2)c1 19564740 HFFOXCDTMBBQSS-HNNXBMFYSA-N 352.442 1.783 0 40 FDAB Cc1nn(C)c(Cl)c1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40117772 KQEKLGOTLNGSQW-MRXNPFEDSA-N 361.789 1.689 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20112547 RAEKRNMFIUHZNC-MRXNPFEDSA-N 362.407 1.861 0 40 FDAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 100566606 NFDQCRCVSWMOAU-ZIAGYGMSSA-N 366.439 1.341 0 40 FDAB biogenic C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccccn1 31818584 NYYYTGPPUSAFQM-GJZGRUSLSA-N 366.421 1.256 0 40 FDAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32092921 JHQZZYIFRZVNEW-AWEZNQCLSA-N 371.846 1.524 0 40 FDAB COc1cc2ncn(CC(=O)NCCCOC(C)C)c(=O)c2cc1OC 20760877 WLHHBEURAXBXND-UHFFFAOYSA-N 363.414 1.345 0 40 FDAB biogenic C[C@H](CNC(=O)NCc1ccccc1CN1CCOCC1)Cn1cccn1 52501823 PBXJTNOGNLFSIQ-QGZVFWFLSA-N 371.485 1.851 0 40 FDAB COC(=O)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1cccs1 32900563 ADCBCQUFTBIWMW-GFCCVEGCSA-N 357.391 1.790 0 40 FDAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 22239707 CCGPMXJKVCDSDV-VXGBXAGGSA-N 366.468 1.051 0 40 FDAB CCOC(=O)Cn1cnc2sc(C(=O)OCCOC)c(C)c2c1=O 1784803 SQOSTMQERQZEPZ-UHFFFAOYSA-N 354.384 1.133 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 3483863 ONDBKOVISVOSNT-QWRGUYRKSA-N 366.414 1.601 0 40 FDAB CC(=O)O[C@@H]1CO[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403704 LHFOAGYPATWZGW-BRSBDYLESA-N 366.366 1.355 0 40 FDAB COC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 23652987 FDWMORCBPKIYKA-UHFFFAOYSA-N 368.499 1.854 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1 6817831 PLQOXJJORUEJMM-UHFFFAOYSA-N 358.420 1.960 0 40 FDAB CN1CC(=O)Nc2cc(C(=O)Nc3ccc(OCC(N)=O)cc3)ccc21 54655050 DTVCHXGPSPHSCR-UHFFFAOYSA-N 354.366 1.191 0 40 FDAB COc1ccccc1[C@@H]1N=C(NC[C@@H]2CCCO2)Nc2nc(C)cc(=O)n21 101983193 WXLNGXIOSRQQMU-SUMWQHHRSA-N 369.425 1.657 0 40 FDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 34367107 HAVYIOGQBOUAPK-SECBINFHSA-N 352.334 1.471 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)s1 55245672 RQDJFYHQVFXDEF-LLVKDONJSA-N 352.503 1.006 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2 24995304 VIDJGKOKMLEVPL-MRXNPFEDSA-N 364.417 1.946 0 40 FDAB CCN1CCN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 19367239 CKQAFJIAMXHDJD-HNNXBMFYSA-N 372.465 1.659 0 40 FDAB C[C@@H]1CN(S(=O)(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)C[C@@H](C)O1 107536940 KJKJKBSAFUHKCP-DULLULTKSA-N 360.501 1.429 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 58268298 ZBLBVSVKUUBCGA-LSDHHAIUSA-N 373.478 1.910 0 40 FDAB CCNC(=O)C1(NC(=O)CCn2c(=O)oc3ccccc32)CCCCC1 58245079 VSURYMGTVBGVKK-UHFFFAOYSA-N 359.426 1.940 0 40 FDAB Cn1cc(/C=C/C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c(=O)n(C)c1=O 58200876 GCHOIJZLCHNLHL-IJDCCNJMSA-N 371.412 1.470 0 40 FDAB CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 58281588 JIXQAFUHCMGHCM-UHFFFAOYSA-N 372.425 1.445 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccccc3C)CC2)CC1 12783747 ZXGRWSBARLJQOV-UHFFFAOYSA-N 357.454 1.538 0 40 FDAB CCn1cc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C(=O)NC)n1 2731307 JMVNNZZGPGXVKQ-UHFFFAOYSA-N 364.427 1.065 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(Br)c1 12912936 XFQIOOQQNHKZFQ-UHFFFAOYSA-N 366.259 1.942 0 40 FDAB COC(=O)c1ccc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 13637641 QQBFPHLDHBSSHJ-UHFFFAOYSA-N 352.346 1.996 0 40 FDAB CN(C(=O)CSc1nc(-c2cccs2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 6035430 PPIIDCIXZNGMIJ-SECBINFHSA-N 372.497 1.271 0 40 FDAB Cc1nc2ccccc2nc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 4317197 ISYMXMSRQDHQQL-LLVKDONJSA-N 351.453 1.334 0 40 FDAB COc1cccc(/C=C\C(=O)N2CC[C@H](OCC(N)=O)C2)c1OC(F)F 96055553 WISRCZMUVYTMSP-FJOGCWAESA-N 370.352 1.413 0 40 FDAB CC[C@H](C)N1CCC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 14169634 APIFZAGZFDJJAG-LBPRGKRZSA-N 361.398 1.484 0 40 FDAB O=C(NCCOc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 14201504 NUAIBJDUYGKYRL-UHFFFAOYSA-N 353.378 1.547 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679598 FEAAIDQQQJVBCG-ZDUSSCGKSA-N 371.462 1.899 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 6879210 VQONGAUYZAIFPV-INIZCTEOSA-N 366.805 1.343 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1 5849211 SJMSOHLMGQCYDX-UHFFFAOYSA-N 368.436 1.794 0 40 FDAB O=C(CSc1nnc(-c2ccccc2F)o1)N[C@@H]1CCS(=O)(=O)C1 4987092 WFNFRMNEVDJRGX-SECBINFHSA-N 371.415 1.271 0 40 FDAB CCOc1ccccc1-n1ccn(CC(=O)NCCC(C)C)c(=O)c1=O 67256567 KJEIPFTUDUVNAK-UHFFFAOYSA-N 359.426 1.560 0 40 FDAB Cc1nc2c(c(N)c1-c1ccccc1)c(=O)[nH]c(=O)n2C[C@@H]1CCCO1 20674468 LKNJLCMBBWYHJE-ZDUSSCGKSA-N 352.394 1.821 0 40 FDAB COc1cc(OC)c2c(C)c(CC(=O)N3CCC(O)CC3)c(=O)oc2c1 8764497 WQYYYMZKZHOBGG-UHFFFAOYSA-N 361.394 1.644 0 40 FDAB biogenic CCOC(=O)c1c(C)oc2nc(CSc3nnnn3CC)nc(N)c12 8780009 XQVOVMWXDFXYAZ-UHFFFAOYSA-N 363.403 1.589 0 40 FDAB COc1cc(OC)nc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1 95972297 WROBESPLEZIEHX-UHFFFAOYSA-N 360.389 1.524 0 40 FDAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CC(=O)NC2CC2)CC1 96908308 VKFQHIAKEGBWCX-ZDUSSCGKSA-N 364.877 1.563 0 40 FDAB COC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 72304523 QMRJGEIUMMJPRW-FOIQADDNSA-N 356.422 1.706 0 40 FDAB COCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217603321 KFWPRXDIPCVIRT-LLVKDONJSA-N 360.432 1.146 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1OCC 408697324 JAAZNEHEONKQIP-UHFFFAOYSA-N 363.439 1.709 0 40 FDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217498934 UMTXFIILHVRUOY-ZDUSSCGKSA-N 372.443 1.291 0 40 FDAB O=C(NCCNc1ncccn1)c1c(-n2cnnn2)sc2c1CCCC2 524732302 IUAWNFOCTKWTLB-UHFFFAOYSA-N 370.442 1.235 0 40 FDAB CCOC(=O)c1ccc(N2C[C@H](C(=O)NCCn3cccc3)CC2=O)cc1 524732950 FNGGRBHWZFQFNH-MRXNPFEDSA-N 369.421 1.834 0 40 FDAB Cc1ccc(OCCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 31239746 WAIHNKXYTAHWJV-UHFFFAOYSA-N 359.426 1.745 0 40 FDAB CCOCCCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1 35315765 UGIRKWZIHHPOPH-UHFFFAOYSA-N 350.463 1.943 0 40 FDAB O=C1CN(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2O1 31846045 DLKHHYVDFYDECT-UHFFFAOYSA-N 352.394 1.156 0 40 FDAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1nc2ncccn2n1 36752478 BVWMHUAGGBGYFL-UHFFFAOYSA-N 359.773 1.869 0 40 FDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)nn1 565032600 IACCFARRXWESLR-LBPRGKRZSA-N 358.354 1.225 0 40 FDAB CN1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 41689834 LHJNHWOXQRAJON-WFRNDULYSA-N 352.519 1.597 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225600581 QXDPQSAPUWAJST-VOTSOKGWSA-N 354.410 1.810 0 40 FDAB COc1ccc(OC)c(CCNC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)c1 573962416 FIHWDWJEOGVWAE-WFASDCNBSA-N 350.415 1.999 0 40 FDAB CCNc1cc(NCCNS(=O)(=O)c2ccc(F)cc2F)nc(C)n1 44213717 PGNZNWTVXBRYQP-UHFFFAOYSA-N 371.413 1.885 0 40 FDAB CSCC[C@@H](C(=O)N1CCN(S(=O)(=O)C(C)C)CC1)n1cccc1 575443549 ONMABRHTXYMEJR-HNNXBMFYSA-N 373.544 1.665 0 40 FDAB CSc1nnc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)s1 224327597 RPDXTEOZHRDWDN-UHFFFAOYSA-N 372.497 1.973 0 40 FDAB Cc1nnsc1C(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1 85472163 CJMOKKREOASGPB-UHFFFAOYSA-N 355.427 1.390 0 40 FDAB COc1ccccc1CCN1C[C@@H](C(=O)NCC2CCOCC2)CC1=O 96118861 OYLQZWLZAIWYQC-KRWDZBQOSA-N 360.454 1.629 0 40 FDAB O=C(c1nc2c(s1)CCN(Cc1ccccn1)CC2)N1CCOCC1 96187591 RCIBWJGTVWUAJD-UHFFFAOYSA-N 358.467 1.611 0 40 FDAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1ccncc1 96113024 CJGRVQCRZMGDPU-RBUKOAKNSA-N 366.465 1.520 0 40 FDAB biogenic,in-vitro CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 96308945 GKPSHCBTUKQSCW-MRXNPFEDSA-N 359.426 1.709 0 40 FDAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC2CCN(C)CC2)COC1 96112765 HBFYMPYXDDBBKG-INIZCTEOSA-N 357.458 1.750 0 40 FDAB biogenic,in-vitro O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1cccc(F)c1 96240122 NISQKVSNZCLQQV-FQEVSTJZSA-N 371.412 1.855 0 40 FDAB CCOc1ccc([C@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1OC 95534268 RMLPPSZHRGCYOO-KRWDZBQOSA-N 361.446 1.135 0 40 FDAB O=S(=O)(NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)C1CC1 247361689 ZURFKWSHZBPDNA-HNNXBMFYSA-N 350.444 1.505 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248159818 XDCQXSSPOXQACO-QZWWFDLISA-N 360.502 1.929 0 40 FDAB CNC(=O)[C@H]1COC2(CN(Cc3cccc4[nH]ccc34)C2)CN1CC1CC1 247965727 SAQGJMOTUIIDLG-LJQANCHMSA-N 368.481 1.579 0 40 FDAB O=C(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccncc1 247526775 ZMCCWCAAKRMSOF-ZDUSSCGKSA-N 357.389 1.426 0 40 FDAB CCN1CCC(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)CC1 249689826 JXCOANZHDYWBOK-MRXNPFEDSA-N 360.458 1.347 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1CN(C2CCOCC2)Cc2cncn21 247492148 MWGOKZSAAYBUKF-KRWDZBQOSA-N 360.483 1.839 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(F)cc1 240765385 AUCAFQYXPIZPAQ-UHFFFAOYSA-N 364.442 1.946 0 40 FDAB C[C@H]1c2ccsc2CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 25605026 JTKQFUSNHWRGCJ-VIFPVBQESA-N 356.407 1.443 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257261083 LFQSKGYZTNNNPW-LJQANCHMSA-N 357.458 1.793 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC(c2nccs2)CC1 588651012 PYEWOQOYQNXGFR-UHFFFAOYSA-N 355.423 1.654 0 40 FDAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cncnc3)C2)cc(C(=O)N(C)C)n1 257316183 VEMYLWVBHYGEIO-AWEZNQCLSA-N 368.441 1.372 0 40 FDAB O=C(C1CCNCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257262908 LNPGMFPVVKPDTN-MSOLQXFVSA-N 371.481 1.217 0 40 FDAB Cc1ccc(NC(=O)c2cc(F)cnc2O)cc1C(=O)N1CCOCC1 621977711 VSIDDVVXYNDKPJ-UHFFFAOYSA-N 359.357 1.959 0 40 FDAB O[C@H](CNc1nc(-c2ccco2)nc2c1CCNCC2)c1cccnc1 72477224 IYYRVMLFSWWFSD-MRXNPFEDSA-N 351.410 1.965 0 40 FDAB CO[C@H]1CCCN(C(=O)CN2CCOCC2)[C@H]1Cc1ccc(F)cc1 585272204 LZNZORNEDXFTDS-ROUUACIJSA-N 350.434 1.706 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 685941858 IKTZLNUXXWCHTL-CQSZACIVSA-N 355.438 1.291 0 40 FDAB C[C@]1(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCS(=O)(=O)C1 32747520 CVWTXUNGCRTMFR-HNNXBMFYSA-N 372.830 1.331 0 40 FDAB O=C(Nc1ccccc1N1CCOCC1)C(=O)N[C@@H]1COc2ccccc21 60731794 MFVWSBPSHWNVIQ-MRXNPFEDSA-N 367.405 1.712 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160339 ZFJBIJQOLMVCOK-LJQANCHMSA-N 372.400 1.597 0 40 FDAB CCC(=O)N1C(=O)[C@H](C)[C@]23c4cc(OC)c(OC)cc4C(=O)N2CCCN13 5662835 JXNRSNCIPYXLIB-WLRWDXFRSA-N 373.409 1.348 0 40 FDAB CC[C@H](C(=O)NCCN1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13711795 ITUMCJJUKMAYRB-QGZVFWFLSA-N 367.515 1.833 0 40 FDAB CN1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)CC1 16689677 PVCBVCRKZHQQFU-CALCHBBNSA-N 355.438 1.754 0 40 FDAB CCC(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19499237 RZCXXKOAVIBPDW-INIZCTEOSA-N 374.416 1.556 0 40 FDAB CCn1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cn1 19525095 FEMJMIDNNULOOZ-KRWDZBQOSA-N 364.471 1.255 0 40 FDAB CN(C)CCn1nc([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)c2cccnc21 19583126 PPTHBNQBGGWORX-ZBFHGGJFSA-N 357.458 1.488 0 40 FDAB COCCn1nnnc1[C@@H](c1ccccn1)N1CCc2ccccc2C1 19594138 AWKXMCDRFDLVKM-GOSISDBHSA-N 350.426 1.862 0 40 FDAB CCc1ncc(CN2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 19745888 AEQBCNBPAGTJCL-HNNXBMFYSA-N 355.508 1.180 0 40 FDAB CCN1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)CC1 19937693 CLAODEWFXBKQBT-UHFFFAOYSA-N 360.845 1.797 0 40 FDAB Cn1nc(C(F)(F)F)c(C(N2CCOCC2)N2CCOCC2)c1Cl 19324791 XQILXUWULXMUIA-UHFFFAOYSA-N 368.787 1.755 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)NCc2cccs2)CC1 575616055 OTOPQMHBTWWHNN-UHFFFAOYSA-N 360.505 1.066 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4nc(COC)ns4)C[C@H]3C2)c1F 1888863506 HKQRAVARWDWDPE-PHIMTYICSA-N 364.450 1.749 0 40 FDAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(O)c1F 1888870012 QDWKCGAQHJYGKK-UHFFFAOYSA-N 370.381 1.280 0 40 FDAB Cc1ncnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1C 1889085221 IICPQORXWRNFBA-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)C1CCN(S(C)(=O)=O)CC1 22136618 WWTJSPZXGJBHIY-UHFFFAOYSA-N 354.472 1.504 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4csnn4)C3)C2=O)n1 1614936837 PLKDVAKQUFYWBA-SFHVURJKSA-N 371.466 1.896 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NC(C)C)CO2)o1 1614929798 RVUQUBZFDHYVDW-LBPRGKRZSA-N 360.414 1.331 0 40 FDAB Cc1nc2ccc(N3CCN(c4ncnc5c4cnn5C)CC3)nn2c1C 2087048802 WMTMOVUINLLEEV-UHFFFAOYSA-N 363.429 1.349 0 40 FDAB CCN=c1nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)cc(C)[nH]1 2087128969 DATHKSKCNUNGQJ-UHFFFAOYSA-N 371.367 1.363 0 40 FDAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1 2952309 OLKDFRRVOSNLHY-UHFFFAOYSA-N 352.394 1.572 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1OC 4033766 WGMDEHRYTAOYHK-UHFFFAOYSA-N 353.425 1.892 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5222198 KDERPAFNCQAJRO-ZDUSSCGKSA-N 364.398 1.918 0 40 FDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)nn1 225429201 ZVROTSDEWOHJIH-CYBMUJFWSA-N 353.386 1.133 0 40 FDAB Cc1cc(=O)n2cccc(C(=O)N[C@H](Cn3nccn3)c3ccccc3)c2n1 585366430 OXAXWDSQPSLFIK-QGZVFWFLSA-N 374.404 1.766 0 40 FDAB C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 17113766 YPGRYFXPRAKHIL-ISVAXAHUSA-N 366.215 1.280 0 40 FDAB C[C@@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O 40154084 OMNPQDGNZSBANT-VIFPVBQESA-N 353.366 1.452 0 40 FDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cn1C 50536300 PJWJMOZAMXKRBV-UHFFFAOYSA-N 368.503 1.388 0 40 FDAB COCCn1c(SCC(=O)N[C@H](C)C(C)C)nc2ncccc2c1=O 31615697 DAZBZNKPJJMIKT-GFCCVEGCSA-N 364.471 1.691 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20567013 RFJJEHFIBDNUEV-XJCNVXQRSA-N 361.829 1.880 0 40 FDAB N=C(NC1=N[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N1)Nc1ccccc1 20799023 NOAVMPJKCJBJBN-CQSZACIVSA-N 368.372 1.645 0 40 FDAB Cc1c(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C 21614697 SHUSORLCYCLDJT-NSHDSACASA-N 365.411 1.528 0 40 FDAB CCOc1ccccc1N(CC(=O)NCc1ccco1)S(C)(=O)=O 886664 XRNCBHFCADAMPA-UHFFFAOYSA-N 352.412 1.761 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(CCC(=O)Nc2ccccc2F)CC1 22929550 DIUZDHGSEVJQSG-CQSZACIVSA-N 362.449 1.439 0 40 FDAB O=S(=O)(Cc1ccon1)N1CCN(c2ncc(Cl)cc2F)CC1 79301474 WMIDLOMJKBFUHC-UHFFFAOYSA-N 360.798 1.514 0 40 FDAB COc1cccc2c1ccn2CCNC(=O)CCNC(=O)c1cnccn1 79492223 ITTLMVAJWGNOII-UHFFFAOYSA-N 367.409 1.376 0 40 FDAB O=C(NCc1nnc2ccccn12)c1ccc(Cl)cc1-n1cnnn1 79501615 SXVCKAJEJNOLIS-UHFFFAOYSA-N 354.761 1.288 0 40 FDAB CN1CCO[C@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 104793567 FMVVXYRCNNVOIX-MRXNPFEDSA-N 366.531 1.590 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)c1ccccc1Br 6462648 YDWGSPZMOWDGOZ-UHFFFAOYSA-N 369.248 1.972 0 40 FDAB CCN(CC)C(=O)Cn1c(=O)n(CCCOC)c(=O)c2sccc21 6679132 VLKNHRMAWRAZIR-UHFFFAOYSA-N 353.444 1.130 0 40 FDAB CCCn1ccnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 12529475 JBRBJTBKQFTLJS-UHFFFAOYSA-N 365.459 1.671 0 40 FDAB O=C(NCc1nnc2n1CCC2)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 24444560 QPCHVTJAFIXHHT-LLVKDONJSA-N 359.817 1.547 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccccc2S(C)(=O)=O)CC1 24973245 JAJZWHFEWNPCCF-CYBMUJFWSA-N 353.440 1.894 0 40 FDAB C[C@@H](Sc1nc2sccc2c(=O)n1C)c1nc(N)nc(N(C)C)n1 24971203 CHJKBBWWTOIYCO-SSDOTTSWSA-N 363.472 1.682 0 40 FDAB NC(=O)c1ccc(NC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 9317627 MLXMPJLECNVHEC-UHFFFAOYSA-N 366.377 1.490 0 40 FDAB COCCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 57429524 CJTWABKERHPDOG-UHFFFAOYSA-N 365.455 1.005 0 40 FDAB Cc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)nc(C2CC2)n1 116259927 LBLIMZJCXNNPJK-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102084229 QCUPPTXXHCVMAC-CNGUFQHNSA-N 352.390 1.687 0 40 FDAB CN(C)C(=O)N1C[C@@H]2CN(S(C)(=O)=O)CC[C@@]2(c2ccccc2)C1 107817043 MRVNPJNWUWOHIC-WBVHZDCISA-N 351.472 1.203 0 40 FDAB COCCCn1c(=O)[nH]c(=O)c2c(-c3ccc4c(c3)OCO4)ccnc21 10157275 CPTJSWBUKXWBBB-UHFFFAOYSA-N 355.350 1.517 0 40 FDAB CC(C)C[C@H](NC(=O)NCC(=O)N[C@H]1CCCc2ccccc21)C(=O)O 12865728 YFUIMRJZDYYMSB-HOTGVXAUSA-N 361.442 1.979 0 40 FDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O 11518946 XIINXEUJNFOFKX-UHFFFAOYSA-N 370.390 1.570 0 40 FDAB COc1ccc(CCNC(=O)c2nc(NS(C)(=O)=O)sc2C)cc1 11867536 XZISHOBUSBXTIT-UHFFFAOYSA-N 369.468 1.804 0 40 FDAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 22326373 XHXUHVDBGHBQCH-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CC2)c1 3538112 ISMIPMCWHQYVAI-UHFFFAOYSA-N 360.819 1.026 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccccc2C(N)=O)c1C 13078978 IPHCQONUYQFYIZ-UHFFFAOYSA-N 362.407 1.926 0 40 FDAB COCCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 14116996 CDZYENODDFKUBS-UHFFFAOYSA-N 355.316 1.936 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1F 6936003 PVYDYMRIRKTZEB-ZDUSSCGKSA-N 359.357 1.228 0 40 FDAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NC4CC4)C3=O)ccc2c1 7061021 CIFOCJKBZBTTOA-FQEVSTJZSA-N 367.405 1.894 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccn3)CC1)C2=O 7074703 PFJBRJDSKODWTN-KXBFYZLASA-N 357.458 1.662 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(N)=O)[C@@H]3C2=O)cc1 15999064 TUZPGQYZYBPBNB-MANSERQUSA-N 373.412 1.996 0 40 FDAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024906 UQEJBFKDYKPUQF-VPCSNGCSSA-N 355.438 1.862 0 40 FDAB C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)C(=O)N(C)c1ccccc1 16258826 OTKBFNUOCBDIMS-ZDUSSCGKSA-N 366.377 1.386 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc2c(c1)OCO2 7912059 JQLMUSXZTKWNBT-UHFFFAOYSA-N 359.407 1.858 0 40 FDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 7983056 AJSWCVVWWPASKQ-UHFFFAOYSA-N 359.382 1.997 0 40 FDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccncc1)C2=O 8024407 CTPGKYIYWQYLDD-DJJJIMSYSA-N 358.442 1.835 0 40 FDAB O[C@@H](CN1CCOCC1)CN1CCC(OCc2ccc(F)cc2)CC1 91869528 VTACAPVGJUTZHM-GOSISDBHSA-N 352.450 1.500 0 40 FDAB O=C1CN(c2ccc(NC(=O)c3cccnc3N3CCCC3)cn2)CCN1 71843940 SLLYXFJQGFBHFM-UHFFFAOYSA-N 366.425 1.265 0 40 FDAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCOCC3)n2C)cc1 8749402 SSOXLYSHSITAOA-LBPRGKRZSA-N 362.455 1.830 0 40 FDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2nccs2)CC1 21379965 YUBXVMXHOXEWQI-JTQLQIEISA-N 365.484 1.453 0 40 FDAB Cc1cc(Br)cc(C(=O)NS(=O)(=O)[C@@H]2CCCOC2)c1 408480784 XFICMDBRNFFSMV-GFCCVEGCSA-N 362.245 1.996 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ncc(C)s3)c2C)C1 56907853 OWJPHXHUIVDSAS-LBPRGKRZSA-N 363.443 1.756 0 40 FDAB COc1cccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)c1 32402248 HUTAABNPMZXHQD-UHFFFAOYSA-N 364.423 1.876 0 40 FDAB O=C(c1cc([C@@H]2CCCCN2C(=O)c2cccnc2)n[nH]1)N1CCOCC1 72380549 ZZFUJRRRPRZUPU-KRWDZBQOSA-N 369.425 1.645 0 40 FDAB CN1CCN(CCCNc2cc(-c3ccccc3)nc3ncnn23)CC1 36646256 YCWSTXLTPCANDK-UHFFFAOYSA-N 351.458 1.841 0 40 FDAB Cc1ccc2c(c1)N(CC(=O)N1CCN(C3CCCC3)CC1)C(=O)CO2 35314901 HFUGGEYBEWPHFM-UHFFFAOYSA-N 357.454 1.807 0 40 FDAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)Cc2ccccc2)CC1 72354996 YDZHHDMYCKRSIL-UHFFFAOYSA-N 354.454 1.804 0 40 FDAB Cc1csc2ncc(C(=O)NCCc3nnc4ccccn34)c(=O)n12 72405769 DKWHRZRJMOFEIJ-UHFFFAOYSA-N 354.395 1.080 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71282366 WJRQKUIGLOYRLP-QLFBSQMISA-N 360.483 1.125 0 40 FDAB Cc1cccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)o2)c1 44358010 BCUNKHJBHUDYBP-LBPRGKRZSA-N 350.400 1.408 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 225679864 SBPLYWIKPMNTSC-UHFFFAOYSA-N 363.420 1.500 0 40 FDAB O=C(NCc1ccc(Cl)cc1)c1nc(CC(=O)N2CCOCC2)no1 40268056 ZLHAVOMNFJBXQZ-UHFFFAOYSA-N 364.789 1.054 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1C 224173369 YWECTDZBUVBXQW-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB COc1ccccc1N(CCCC(=O)NCCCN(C)C)S(C)(=O)=O 223898736 NXSALMXGVYCVTC-UHFFFAOYSA-N 371.503 1.309 0 40 FDAB CN(Cc1nc(N)cc(SCC(=O)O)n1)S(=O)(=O)c1ccccc1 49470198 YQWTWONZJDJNBR-UHFFFAOYSA-N 368.440 1.056 0 40 FDAB CCOC(=O)N1CCN(C[C@@H](O)COCCOc2ccc(F)cc2)CC1 41690303 RXKFGQKRZJPPEK-MRXNPFEDSA-N 370.421 1.356 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN3C[C@@H]4CCCN4C[C@@H]3C)CC2)c1 89672725 WTRBQKFCDCCJFG-ICSRJNTNSA-N 356.514 1.812 0 40 FDAB COCCNC(=O)CCOc1nn(C)c2ccc(Br)cc12 226865396 FKFILPROUAQPGO-UHFFFAOYSA-N 356.220 1.867 0 40 FDAB Cc1ccc(C(=O)N2CCc3nc(N4CCOCC4)nc(C)c3C2)cn1 96253867 CKHDZSUAGJUHKR-UHFFFAOYSA-N 353.426 1.524 0 40 FDAB CC(C)c1nc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)n[nH]1 96114786 SPSRHLKEVGCWOP-NHCYSSNCSA-N 352.464 1.592 0 40 FDAB biogenic CN1C[C@H]2C3(CCN(C(=O)c4cccnc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96262419 UOVWHVGRAJYUJR-LAUBAEHRSA-N 370.497 1.734 0 40 FDAB CCn1nc(C)c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1C 331950437 PEDAAAWSZRLUOA-UHFFFAOYSA-N 362.459 1.862 0 40 FDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 96225640 KEAJMPWKLODTCY-BEFAXECRSA-N 372.425 1.735 0 40 FDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccc(N(C)C)cc1)CC2 96230185 JXQQENGUMJVXAL-UHFFFAOYSA-N 372.513 1.815 0 40 FDAB Cc1cc(C(=O)N2CCO[C@H](COCC3CC3)C2)n(C2CCOCC2)n1 529070324 PQHQNEYGVLMAMK-KRWDZBQOSA-N 363.458 1.811 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)Cn2ccnc2C)CC1 257271865 NACWGNLORIVKBN-UHFFFAOYSA-N 356.430 1.024 0 40 FDAB C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@H]1n1ccc(O)nc1=O 257229663 FZAGPFBNLKPOJS-DNVCBOLYSA-N 357.410 1.106 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1cn[nH]c1 257333716 YCTGDZDCYCUGQD-YRXWBPOGSA-N 370.453 1.575 0 40 FDAB O=C(c1cc[nH]n1)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257316423 VFNIKDMBLIVYQX-ICSRJNTNSA-N 354.454 1.694 0 40 FDAB O=C(O)CS(=O)(=O)CCN1CCC[C@]2(CCCc3ccccc32)C1 262257802 FPXOXUHZTZQXQR-GOSISDBHSA-N 351.468 1.856 0 40 FDAB COc1ccc(-c2c(S(C)(=O)=O)cnc3nc(SC)nn23)cc1 618256940 OJJIRBSEAFUCPW-UHFFFAOYSA-N 350.425 1.925 0 40 FDAB O=C(O)[C@@H](CNC(=O)[C@H]1CCCO1)Oc1ccc(Br)cc1 649255161 LQLTZLGHFLEQMY-VXGBXAGGSA-N 358.188 1.576 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1 659993565 QKRYNZXXJNZBPY-DZGCQCFKSA-N 353.419 1.756 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Cl)cc1OC 643972320 OKAVTSOMRFDUPU-CQSZACIVSA-N 363.819 1.603 0 40 FDAB Cc1cc(C(=O)N2CCn3c(COc4cccnc4)nnc3[C@@H]2C)no1 585098443 YOXAUJVQDOBXFM-LBPRGKRZSA-N 354.370 1.766 0 40 FDAB CCOC[C@@H]1CN(C(=O)c2cccc3nccn23)C[C@H]1c1cnn(C)c1 585655698 KLNAFJDYUCXSSM-HOTGVXAUSA-N 353.426 1.960 0 40 FDAB COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(F)cn2)CC1 1259299479 VYAGCOSLAJMVCZ-UHFFFAOYSA-N 367.402 1.856 0 40 FDAB COc1cc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nc(C)n1 12223617 XWLYMOPRTZCYJY-UHFFFAOYSA-N 372.425 1.773 0 40 FDAB Cc1ccnc2nc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)nn12 13020134 BHMKJFHIAOKRNC-CYBMUJFWSA-N 362.397 1.847 0 40 FDAB Cn1c(=O)c2[nH]c(C(O)(c3ccccc3)c3ccccc3)nc2n(C)c1=O 17299796 PYUWIRJHEOFTSG-UHFFFAOYSA-N 362.389 1.245 0 40 FDAB Cc1cccc2c(C[C@@H](C)NC(=O)CCCN3C(=O)CNC3=O)c[nH]c12 19236604 ROLQEWPSZWCGBE-CYBMUJFWSA-N 356.426 1.856 0 40 FDAB CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699790 ITKAQDQTDHMVJG-OAHLLOKOSA-N 364.490 1.430 0 40 FDAB Cc1cc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)nc(N2CCOCC2)n1 19718707 FFNABPUDOTWGPB-UHFFFAOYSA-N 366.381 1.110 0 40 FDAB COc1cccc(C(=O)N2CC[C@H](C(=O)NCCCn3cccn3)C2)c1 19750264 HRIWTHXHODPCOC-INIZCTEOSA-N 356.426 1.560 0 40 FDAB Cc1nc(CN2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)no1 1888842847 OKCUKSYNHDKZJY-QWRGUYRKSA-N 354.336 1.755 0 40 FDAB Cc1cc(N2CCN(c3nccnc3C)CC2)nc(N2CCOCC2)n1 1889085222 IMJNJEAATZWKMK-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)cc1 23350434 HNJRPRFRNAIBLZ-UHFFFAOYSA-N 361.427 1.380 0 40 FDAB CCCc1nnc(S)n1CC(=O)N1CCN(CCc2ccccc2)CC1 24622460 CIDBUQXCRQQFRW-UHFFFAOYSA-N 373.526 1.906 0 40 FDAB CN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838522 LWPICNYIAWUUKZ-HNNXBMFYSA-N 364.453 1.610 0 40 FDAB Cc1ccc(OCC2(O)CCN(CC(=O)N=c3ccn(C)[nH]3)CC2)cc1C 2037915972 FEPFOFFFXGSXBA-UHFFFAOYSA-N 372.469 1.303 0 40 FDAB COc1cc(OC)c(OC)cc1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037984116 RAOCINSKEBTGCU-ZFWWWQNUSA-N 364.442 1.392 0 40 FDAB Cn1ccc(C(=O)N2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)n1 2055754622 KFEDUVFLDJZBSB-UHFFFAOYSA-N 367.453 1.739 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccsc2)CC1 2055746046 FDPYSTGXOZJHCT-UHFFFAOYSA-N 361.471 1.657 0 40 FDAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)Cn1ccccc1=O)C2 2055750996 VUXBIFMBIQNWOZ-MRXNPFEDSA-N 356.426 1.134 0 40 FDAB CCS(=O)(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)[C@H]4CC[C@H](C)CC4)C[C@@]2(C1)O3 2055844882 GXGUBSUQQDLHEI-FDPKGLCPSA-N 370.515 1.464 0 40 FDAB CCc1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)o1 630647583 BOXUKTSFMSBYKN-HZPDHXFCSA-N 357.410 1.971 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@@H](OCCO)c2ccsc2)cn1C 575621750 SSMQRBAOHKPVRD-CYBMUJFWSA-N 373.500 1.634 0 40 FDAB COc1cc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc(OC)c1 101495835 VVTUETCITFOKDF-UHFFFAOYSA-N 357.370 1.315 0 40 FDAB COc1ccc(CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)cc1 40040281 NQDUGCFJGZLLGV-HNNXBMFYSA-N 357.332 1.885 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3(O)CCCC3)CC2)c1 31602418 YWQUUIHFKZRAQQ-UHFFFAOYSA-N 366.483 1.441 0 40 FDAB CC(C)NC(=O)c1nnn2c1[nH]c(=O)c1cc(Br)ccc12 20745319 MXZZBQVXTMLBGO-UHFFFAOYSA-N 350.176 1.472 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)Nc1ccccc1 32777657 WJQSDYCGPUTJJW-JTQLQIEISA-N 353.425 1.703 0 40 FDAB NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 794239 SHGIITXJVZZCPQ-ZDUSSCGKSA-N 353.378 1.542 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 1091560 KOSWIMVJIVWSQI-NOXHYTERSA-N 364.195 1.645 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCC[C@H]1CO)C2=O 79096768 HJTNHTVZXDKUOS-HPGRBHQUSA-N 351.447 1.154 0 40 FDAB O=C(N[C@H]1CCN(CC2CCCC2)C1)[C@@H]1CC(=O)N(c2ccccn2)C1 79097211 JOTNENZJJGYLEA-SJORKVTESA-N 356.470 1.815 0 40 FDAB CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 3182770 UIQIAXLZRGSTKQ-UHFFFAOYSA-N 353.488 1.495 0 40 FDAB CCn1nnc(NC(=S)NC(=O)c2ccc(Br)cc2)n1 6711610 VTXLWSQNPYMMAP-UHFFFAOYSA-N 355.221 1.582 0 40 FDAB CCN1C(=O)[C@@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 105914760 AFOPYWLIUQVUQP-FUHWJXTLSA-N 361.401 1.720 0 40 FDAB O=C1SCCN1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 55104061 QXCSICDYOAVARI-UHFFFAOYSA-N 359.448 1.258 0 40 FDAB O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)NCCN4CCCC4=O)[C@@H]32)Oc2ccccc21 100124636 WWMFRIHLOWXDTR-QSMXQIJUSA-N 368.433 1.785 0 40 FDAB CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)(C)C 1392988 XCBSGAGPIUDPSL-LLVKDONJSA-N 363.277 1.888 0 40 FDAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(CN2C(=O)CNC2=O)c1 25449159 FWXBZUUUKMIFHL-INIZCTEOSA-N 365.389 1.992 0 40 FDAB O=C(NCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccncc1 56217752 QRFMDKZNJOVMOJ-OAHLLOKOSA-N 353.378 1.408 0 40 FDAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35380386 NGNFYZOSKDENJD-BZSNNMDCSA-N 359.470 1.137 0 40 FDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccc2O)CC1 57456056 OKDYDXQIIBNJPN-LBPRGKRZSA-N 374.466 1.702 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc(OC)cc2)C1 58030293 SBBATEAEKCAJPV-HNNXBMFYSA-N 354.472 1.715 0 40 FDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 10217265 GNPRCJKUDUJABB-SECBINFHSA-N 356.753 1.997 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 20030505 ILPVMFBHIZGISE-UHFFFAOYSA-N 367.280 1.330 0 40 FDAB O=C(CSCc1ccccn1)NC[C@]1(N2CCOCC2)CCSC1 58210794 OIPIBCSMPGOKLC-QGZVFWFLSA-N 367.540 1.639 0 40 FDAB C[C@H](NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 3302017 QFEAXYMXSYHPCL-ZDUSSCGKSA-N 366.373 1.703 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCOCC2(C)C)c1 58227824 ZXAUPCADEZSQEM-UHFFFAOYSA-N 354.472 1.968 0 40 FDAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c(O)c1C 58226976 HVLAEQLCHAWHBA-UHFFFAOYSA-N 359.470 1.635 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 3362019 RQPMOAZVVYWHQQ-UHFFFAOYSA-N 359.407 1.713 0 40 FDAB O=C(NCc1cccc(Cn2cncn2)c1)c1ccc(-n2cccn2)nc1 48356444 AKPSUJXTRIUHDE-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 45866086 HPFZVYZKIJSFOV-UHFFFAOYSA-N 355.393 1.589 0 40 FDAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)c1 3622810 XLOQRJNSPLJPGG-HNNXBMFYSA-N 373.331 1.891 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)c2cccs2)cc1 13019108 ADBNBTUYYMLEJN-ZDUSSCGKSA-N 364.448 1.917 0 40 FDAB CC(C)CCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13006245 BCCPVXKUWAYTDT-HNNXBMFYSA-N 351.472 1.912 0 40 FDAB C[C@]12C(=O)N(CCn3ccnc3)CC(=O)N1CCc1c2[nH]c2ccccc12 3984507 PGAACIYHDWXFQK-FQEVSTJZSA-N 363.421 1.507 0 40 FDAB biogenic O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1[C@H]1CCS(=O)(=O)C1 4043541 PICKYUFUJNEXMX-BONVTDFDSA-N 359.407 1.044 0 40 FDAB biogenic COc1ccc(CN2C(=O)[C@@](NC(=O)C3CC3)(C(F)(F)F)N=C2O)cc1 13656361 WXRSHRPSEMGQQH-HNNXBMFYSA-N 371.315 1.736 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 39518219 GWOFWKLWPADWLW-CYBMUJFWSA-N 370.453 1.767 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)NC1CC(F)(F)C1 306123983 BCFJSJHWLDIBIJ-MRXNPFEDSA-N 368.428 1.970 0 40 FDAB CC(C)c1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 4495920 LVXAMVDHFXRXMA-ZDUSSCGKSA-N 353.378 1.565 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2ccc(Br)s2)n1 14018803 MGWFBVZEVDBBQY-UHFFFAOYSA-N 358.221 1.701 0 40 FDAB Cc1nc(NC(=O)CNC(=O)CNC(=O)c2cccs2)sc1C 9317029 NKOXVGMMXUBUSP-UHFFFAOYSA-N 352.441 1.306 0 40 FDAB Cc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)s1 14715458 LHRPPZFXFIYDJF-UHFFFAOYSA-N 366.877 1.821 0 40 FDAB COC(=O)[C@@H](NCC(=O)Nc1cccc2nsnc12)c1cccc(O)c1 97135237 RENRHYDAGAOTOY-HNNXBMFYSA-N 372.406 1.839 0 40 FDAB Cc1ccc(C(N)=O)c(OCC(=O)NC[C@H]2COc3ccccc3O2)c1 9513583 YMIFIYDXUVMGKP-ZDUSSCGKSA-N 356.378 1.429 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)Cc2ccc(Br)cc2)C1=O 8316025 WISKVUIGZBADIZ-CQSZACIVSA-N 354.204 1.743 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCC1=O 8852132 LACQLFHVXACKMT-UHFFFAOYSA-N 368.231 1.435 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)OCCNC(=O)C2CCCC2)cc1 89484349 PDTIEQGCBZVTQM-UHFFFAOYSA-N 353.440 1.694 0 40 FDAB O=C(CCn1nc2ccccn2c1=O)N1CCc2c(ncn2C2CC2)C1 89878853 JQWAVAACFKOSFS-UHFFFAOYSA-N 352.398 1.002 0 40 FDAB Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)CC2 171339495 GVWSUBMJBLRZII-ZENOOKHLSA-N 370.457 1.340 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C[C@H](O)C(F)(F)F 502664166 DEDHBQLGIZBAQH-SRVKXCTJSA-N 365.375 1.314 0 40 FDAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NS(C)(=O)=O 67890078 YGRMSXKTNIJONI-DOMZBBRYSA-N 357.476 1.013 0 40 FDAB biogenic,in-vitro CCOCCCNC(=O)c1ccc(OCC)c(S(=O)(=O)NC(C)C)c1 408700665 JWDCSNNGWQHXPI-UHFFFAOYSA-N 372.487 1.928 0 40 FDAB CCOC(=O)Nc1ccccc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 217360457 OQDXIRSHIGFUBO-JTQLQIEISA-N 362.429 1.184 0 40 FDAB Cc1cc2c(c(=O)n1C)[C@@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 524730626 QAWWXXMGXYHRNY-CYBMUJFWSA-N 350.374 1.987 0 40 FDAB biogenic O=C(CN1CCN(C(=O)CNC2CCCCC2)CC1)NC1CCCCC1 36646470 DKEDZGMVBXNSQE-UHFFFAOYSA-N 364.534 1.502 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 31254673 IIHJUUMQRHUAKA-UHFFFAOYSA-N 365.499 1.227 0 40 FDAB COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CCN(C(C)=O)C2 31829060 AHNVGMKPMRHUPC-ARJAWSKDSA-N 352.368 1.019 0 40 FDAB CC(C)(C)SCCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219662001 BNIONNMJTWLQRT-UHFFFAOYSA-N 370.496 1.869 0 40 FDAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 40002590 NDKVKPCXIVULHA-DNVCBOLYSA-N 371.481 1.826 0 40 FDAB CC(C)C[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)n1cccc1 575442977 JHUZJNLOMJBYMX-HNNXBMFYSA-N 373.544 1.570 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4n[nH]c5ccccc45)nnc23)n1 225749435 CURITZJUQOAMEM-UHFFFAOYSA-N 374.364 1.894 0 40 FDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 225089582 DQFBHLQJESSGAR-UHFFFAOYSA-N 374.418 1.697 0 40 FDAB COc1cc(OC)c(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl 98211227 FBPPTIVYFPFMMN-UHFFFAOYSA-N 366.805 1.690 0 40 FDAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(C(=O)NC3CC3)C2)C1)c1ccccc1 96225781 KHSGIZSZHBZJQH-JLTOFOAXSA-N 370.453 1.999 0 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YMLXSVQHHJQWFX-PBHICJAKSA-N 368.861 1.981 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)c3ccc4oc(C)nc4c3)C[C@H]2O)cn1 628249084 NYMIFLQTMNIFSP-NVXWUHKLSA-N 356.382 1.617 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 644118694 UXGRZTWAPJYQRX-ZBFHGGJFSA-N 352.398 1.901 0 40 FDAB Cc1c(NC(=O)C[C@H]2CS(=O)(=O)CCN2C)cnn1C1CCCC1 644447029 AOZAZNZMWMOAGS-AWEZNQCLSA-N 354.476 1.364 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CCC2CCCCC2)C1 649633596 YCDJURXVKZLBLF-CQSZACIVSA-N 352.522 1.300 0 40 FDAB Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CCCS(=O)(=O)C3)[nH]nc21 651348600 YGTDXRHDBQHCEH-GFCCVEGCSA-N 373.438 1.727 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ncsc2c1 390829047 CNCGIAIVQVJIJM-GFCCVEGCSA-N 365.422 1.743 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575405695 UFNGKSDWSWPDLU-GFCCVEGCSA-N 355.398 1.141 0 40 FDAB CC(C)CCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O 585290934 YGHILYFSRWVXOW-AEFFLSMTSA-N 354.878 1.452 0 40 FDAB 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COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1 4087157 CYERVJGEGZQRJT-UHFFFAOYSA-N 373.434 1.874 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@](CO)(CCO)O2 4424627 XYPPDQHBNJURHU-QXLLWITBSA-N 356.503 1.855 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cc(=O)[nH]c2ccccc12 50320281 IVUZNJYYTJXJKF-DLBZAZTESA-N 370.405 1.855 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccccn1 31818590 NYYYTGPPUSAFQM-LSDHHAIUSA-N 366.421 1.256 0 40 FDAB O=C(NCc1ccco1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 103128270 JUCBXOUDXLICGZ-JEWRLFTDSA-N 354.362 1.471 0 40 FDAB Cc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cn1 103447800 OVZRNXCAUZUYCQ-INIZCTEOSA-N 358.486 1.524 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCNc3ncccn3)c12 47104481 AQIMVTFYSFXMFS-UHFFFAOYSA-N 351.414 1.786 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 892115 PAZKFHPSHOSMFT-UHFFFAOYSA-N 360.435 1.891 0 40 FDAB Cc1cnc(CN2C[C@@]3(CCCN(Cc4noc(C)n4)C3)CCC2=O)cn1 77472114 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COc1cccc(N2CCN([C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 13100645 ICCKINOZPLSXGV-BBWFWOEESA-N 361.486 1.842 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCN3c2cccc(OC)c2)n(C)c1=O 13539994 HNHXQXOEZGLULY-UHFFFAOYSA-N 355.398 1.467 0 40 FDAB COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC[C@H](C)C2 19791886 VCOFQHYEUCQCLG-NSHDSACASA-N 352.456 1.930 0 40 FDAB COc1cc(C(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc(OC)c1OC 4505112 SHRIKLMFAANZSF-MRXNPFEDSA-N 357.428 1.362 0 40 FDAB CCCCCS(=O)(=O)CC(=O)N[C@H](C)[C@@H](O)c1ccc(OC)cc1 95444129 AYZLHBPVCYKJKH-CXAGYDPISA-N 357.472 1.838 0 40 FDAB Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 6846480 JRNRYFVEHHNBOR-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2cccc(Cl)c2)n(C)c1=O 4943421 APZIAPNZTYPNLQ-UHFFFAOYSA-N 361.789 1.116 0 40 FDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CCCO1 7392210 QMGGFUOFLKTYPR-LLVKDONJSA-N 366.215 1.454 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@H](C(N)=O)C1 7494190 GHRLWOPMFOCZIO-GJZGRUSLSA-N 360.458 1.048 0 40 FDAB Cc1cc(C)cc(OCC(=O)OCC(=O)NC(=O)NCc2ccco2)c1 7793996 LJANPJYLTMWHEG-UHFFFAOYSA-N 360.366 1.844 0 40 FDAB CCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8879147 SANOIQBHRMUNRP-INIZCTEOSA-N 356.426 1.937 0 40 FDAB biogenic CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)NC2CCCCC2)s1 72048753 NRYBISFPMMIZMW-JTQLQIEISA-N 360.505 1.971 0 40 FDAB Cc1ncsc1CN1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 306129326 IASRPLRHFGHRIZ-GFCCVEGCSA-N 355.489 1.144 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 408549214 QWLXVUVIKDUZJN-NTEUORMPSA-N 369.333 1.241 0 40 FDAB Cn1cc(C(=O)OC2CN(c3nc4c(F)cc(F)cc4s3)C2)nn1 75172352 ARRVOLBGGJTRDO-UHFFFAOYSA-N 351.338 1.749 0 40 FDAB CCc1cc(N2CCC(NC(=O)c3cnc4[nH]nnc4c3)CC2)ncn1 543590496 ZEKKRDSZHGLMIP-UHFFFAOYSA-N 352.402 1.104 0 40 FDAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 38754559 HQBODGWSHSDPOE-UHFFFAOYSA-N 367.515 1.215 0 40 FDAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@@H](CO)[C@@H](O)C1 545989912 AWELGKNQDSAWMX-GWCFXTLKSA-N 373.331 1.120 0 40 FDAB CC(C)Oc1ccc(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)cc1 569618697 GEVUCQLYRCAITH-UHFFFAOYSA-N 366.395 1.907 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38728975 SRTMXFLSZCZLMV-SJORKVTESA-N 358.438 1.804 0 40 FDAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 329155142 UZWXGXYDPRJBJA-QGZVFWFLSA-N 366.425 1.831 0 40 FDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 224191335 NVNONUVUXCQVPF-UHFFFAOYSA-N 364.427 1.101 0 40 FDAB COc1cccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 224179576 FUXVVVFZMBHPOQ-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccncc1 95477098 OILTWNOESRQVES-INIZCTEOSA-N 352.394 1.455 0 40 FDAB O=C1NCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)[C@@H]1c1ccccc1 333416588 LBNOTBSZRVBJTO-ZIAGYGMSSA-N 358.410 1.925 0 40 FDAB Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCCN(C)C)N(C)[C@H]3C2)s1 96182618 DLMDTIOQUHLTQL-OIISXLGYSA-N 350.532 1.239 0 40 FDAB Cc1ccc(CNC(=O)N2CC[C@@](F)(CO)C2)c(O[C@H]2CCOC2)c1 332732473 WUYFKEPRLVJGCY-YJBOKZPZSA-N 352.406 1.779 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)cn1 96208421 OUMRCQLBZZROCC-BEFAXECRSA-N 354.410 1.982 0 40 FDAB O=C(c1cnccn1)N1Cc2cncn2[C@H](COCC2CCOCC2)C1 247885281 WVWLHVRNVMHWNT-INIZCTEOSA-N 357.414 1.313 0 40 FDAB c1cc2nncn2nc1N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 253595999 LWUYWRIIOSOIKH-HNNXBMFYSA-N 359.430 1.305 0 40 FDAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1 262271986 YGOUHDGBPNODCI-HNNXBMFYSA-N 368.455 1.595 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)nc2n1 599356676 SCJHAWJYEGMQDE-CYBMUJFWSA-N 366.429 1.687 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)N2CCc3c(F)cccc32)cn1 630670493 WYHKGBMVYULJLV-CVEARBPZSA-N 358.373 1.571 0 40 FDAB C[C@@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)n1ccc(C(F)(F)F)n1 630824576 DZQUTWAGDGEWTE-VHSXEESVSA-N 368.381 1.003 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cncn2)cc1 602298105 IEMDRXKVZVHFJI-CQSZACIVSA-N 363.443 1.056 0 40 FDAB COC[C@]1(C(=O)O)CCCN1CC(=O)N(C)Cc1ccccc1OC 643879400 RINRBQSIHBROLV-SFHVURJKSA-N 350.415 1.219 0 40 FDAB COC1CCN(S(=O)(=O)NCC[C@H]2CCc3ccccc3N2)CC1 658383245 DHPBJFNIGDQTAL-OAHLLOKOSA-N 353.488 1.749 0 40 FDAB CCOC(=O)[C@H](CSC(=O)CCCCCO[N+](=O)[O-])NC(C)=O 68605755 FTTHDYABEMRSFW-NSHDSACASA-N 350.393 1.083 0 40 FDAB biogenic COCc1csc(CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 585101642 BWIUEGPSQFAGHB-HNNXBMFYSA-N 367.515 1.259 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)c3conc3C)CC2)N1S(C)(=O)=O 585104002 YBYRIQNYXDWNPM-CYBMUJFWSA-N 371.459 1.028 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccc(F)cc1)C2 585103754 ZZKJPXRPLNVKSY-HNNXBMFYSA-N 356.463 1.746 0 40 FDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)c4ccnc(F)c4)C3)C2=O)cn1 585100906 DSTOMVZECRNFKZ-GOSISDBHSA-N 357.389 1.614 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CC[C@H](Cc4cnn(C)c4)C3)[nH]2)CC1 685941836 JICHBULWLDAYJN-CQSZACIVSA-N 356.474 1.657 0 40 FDAB O=S(=O)(NCC1(N2CCOCC2)CCSCC1)c1ccccc1F 1776008835 PVFFEYUVSPUCAQ-UHFFFAOYSA-N 374.503 1.702 0 40 FDAB CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)[C@@H]1CCCNC1=O 1776008737 OJHJHLDKVDAFMI-OAHLLOKOSA-N 373.407 1.821 0 40 FDAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3[C@H]4CC[C@H]3CC(C)(O)C4)n21 101465248 GWTIMWSAFVRBEW-KBPBESRZSA-N 367.453 1.767 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 20456103 PBXSZNFZRKWLNV-UHFFFAOYSA-N 361.261 1.476 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C)C2)C(C)C)cc1 11454951 MKSZNKSILWANDG-ZBFHGGJFSA-N 354.472 1.545 0 40 FDAB O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccccc1 12607378 XEYSAZUYZIXARB-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1 15588876 OFGGPWAGHAGYDG-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 19403874 AFYYAMJEXCIUEX-CYBMUJFWSA-N 357.414 1.928 0 40 FDAB CC1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)COC1 19714619 IJIOPGAIHQOINM-HNNXBMFYSA-N 370.446 1.522 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)N2CCCC2)C1 36398300 BSXHKOQIUIDUGE-HNNXBMFYSA-N 359.426 1.959 0 40 FDAB O=C(CSC1=Nc2ccccc2CS1)N[C@@H]1CCS(=O)(=O)C1 5325304 GCFJPRQHJFYLIA-LLVKDONJSA-N 356.494 1.957 0 40 FDAB Cn1cnc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1 1888888116 OUFCRPGJNZMCJA-KBPBESRZSA-N 350.426 1.515 0 40 FDAB O=C(C1CCOCC1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978276 MRTDXWUZHIRWSY-HXUWFJFHSA-N 358.438 1.695 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)CCC1 1565544073 GOKWAIZKBCESMP-UHFFFAOYSA-N 358.442 1.781 0 40 FDAB COCCn1/c(=N/C(=O)C(C)C)sc2cc(S(C)(=O)=O)ccc21 100872830 YJFJCRNKOKNZFQ-NXVVXOECSA-N 356.469 1.836 0 40 FDAB C[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1 225621937 VEPQPHHYNAHGTO-QGZVFWFLSA-N 351.424 1.640 0 40 FDAB Cc1nn(CCC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C 19557126 GIKPCHVDELTTLP-GOSISDBHSA-N 368.485 1.998 0 40 FDAB CC(C)C(=O)Nc1ccc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 32895872 PNZDYULFXVBQOW-ZIAGYGMSSA-N 369.487 1.725 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NCc1ccco1 52689355 WVWHNSLWUDTPTK-SNPRPXQTSA-N 363.414 1.412 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 22694062 CHOUZDGZPNOVFM-GDBMZVCRSA-N 363.433 1.725 0 40 FDAB CS(=O)(=O)/N=C(\O)C1CCN(C(=O)CCOc2ccccc2)CC1 54425249 IPDJKJRCUZCGBI-UHFFFAOYSA-N 354.428 1.610 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2C)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4559878 KCCLQUODNNILEX-BQJWPVKWSA-N 351.399 1.116 0 40 FDAB O=C(CSc1nnnn1C1CC1)N1CCN(Cc2ccccc2)CC1 23702143 ITZHWILNKBCVLX-UHFFFAOYSA-N 358.471 1.445 0 40 FDAB C[C@H](NC(=O)COC(=O)c1cccnc1N1CCOCC1)c1ccco1 23703286 WODSFCPFEZFTSK-ZDUSSCGKSA-N 359.382 1.545 0 40 FDAB O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccccc2)CC1 23995868 FISDMNMXJDFFGL-UHFFFAOYSA-N 373.434 1.559 0 40 FDAB CCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 12551759 UUORWCLDLITBRD-AWEZNQCLSA-N 369.425 1.091 0 40 FDAB N[C@H](CC(=O)O)c1cnc(NS(=O)(=O)c2ccc3ccccc3c2)nc1 8701488 QVNSNHXYXVHZBN-OAHLLOKOSA-N 372.406 1.905 0 40 FDAB Cn1cc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(N)=O 56106528 FEDXYCARNLVOJV-UHFFFAOYSA-N 369.393 1.756 0 40 FDAB O=C(NCCNC(=O)c1ccccc1)NCCNC(=O)c1ccccc1 25671830 MMALXAZGAPAUQQ-UHFFFAOYSA-N 354.410 1.146 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)N1CCCC1 35591072 QRUWFUJXWXMDHU-UHFFFAOYSA-N 363.417 1.834 0 40 FDAB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)C(=O)NC3)cc1OC 57558297 ZOBKHXADEIHPSA-UHFFFAOYSA-N 369.377 1.316 0 40 FDAB NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 44818437 CGLNXBVNQUCLQU-MRXNPFEDSA-N 367.405 1.412 0 40 FDAB COc1cccc2c1OC(=O)[C@@H]1[C@@H](C(=O)O)Sc3[nH]c(=O)sc3[C@H]21 2145440 DYFKIRSJFMIWQT-FYBVGQRMSA-N 365.388 1.671 0 40 FDAB biogenic Cn1c2ccccc2n2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)nc12 57731346 YYHQZFNBKFYWES-UHFFFAOYSA-N 365.349 1.355 0 40 FDAB COC(=O)[C@@]12C[C@@]3(C)O[C@@]1(C)OC(=O)[C@]2(Cc1ccccc1)N3C(C)=O 104111095 PKEFXYCLUPEOGI-YRXWBPOGSA-N 359.378 1.399 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(C)c1 23767494 NNYILHMHAGQNOK-UHFFFAOYSA-N 373.337 1.507 0 40 FDAB CCCOc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1OCC 2378296 BDZVPITYSSWANF-XNTDXEJSSA-N 373.434 1.555 0 40 FDAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 2414188 IPYWOFUKPYBELF-SNVBAGLBSA-N 363.761 1.666 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(OC(F)(F)F)c1 45880703 KEIZYONCMKEPNS-UHFFFAOYSA-N 352.334 1.254 0 40 FDAB O=C(O[C@@H]1CCCCC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3314446 HFUYSOLNRXRZRA-MRXNPFEDSA-N 367.423 1.376 0 40 FDAB CN1CCN(C(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 48325278 JGLYDRZXIKLHIX-LJQANCHMSA-N 367.449 1.697 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 12816866 QOICXLSYZFVABA-BRWVUGGUSA-N 359.470 1.469 0 40 FDAB CC1=C(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)OC1(C)C 62581552 KOSXPOUUJRSPNM-UHFFFAOYSA-N 352.412 1.527 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 12988201 JAVKJYXCIMQWQF-CYBMUJFWSA-N 373.384 1.864 0 40 FDAB C[C@@H](NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2cncn2)cc1 12976340 CEOVDZJXRVGILG-CQSZACIVSA-N 357.414 1.084 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1 12949108 RZSGBLKPJLRZTM-UHFFFAOYSA-N 369.425 1.100 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@@H]5C3=O)nc2c1 3882696 ZTKYSQQEFVALOZ-CNEMSGBDSA-N 358.375 1.676 0 40 FDAB COCCOCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C)C(=O)N2 13691826 JRHBGFXAJONZKN-CYBMUJFWSA-N 359.386 1.272 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCO2 65538640 LJSIHRUNEGKKSM-INIZCTEOSA-N 361.419 1.684 0 40 FDAB COC(=O)CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 72404565 CEARQGURAJJMHU-UHFFFAOYSA-N 357.410 1.657 0 40 FDAB CN1CCN(C[C@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)CC1 95446741 YERNEZMPAFWCEC-LJQANCHMSA-N 354.502 1.727 0 40 FDAB CCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 95445069 FEBPLFNWFBZQLW-NEPJUHHUSA-N 360.414 1.387 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 68525422 KTGLYYOZLRTUTA-KBPBESRZSA-N 356.426 1.915 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C(=O)OC 8151859 VZCBFBGRVCOVON-YMTOWFKASA-N 357.790 1.906 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)COc2cccc(-n3cnnn3)c2)cc1 8185271 RANMERYZLPJNAE-UHFFFAOYSA-N 373.394 1.296 0 40 FDAB CN(CC(=O)NC(=O)NCc1ccco1)C[C@H]1COc2ccccc2O1 8708302 CBCGHEODJNHPCP-AWEZNQCLSA-N 359.382 1.377 0 40 FDAB Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1Cc1ccc2c(c1)OCO2 8776144 YQOFGXSFGFTIDJ-UHFFFAOYSA-N 369.377 1.616 0 40 FDAB COCCCNC(=O)[C@@H](C)N1CCN(Cc2nc3ccccc3[nH]2)CC1 89478641 JAWUJQKBFUKLLV-OAHLLOKOSA-N 359.474 1.222 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408602233 IKEOWGPSPGHBQK-ZIAGYGMSSA-N 372.487 1.539 0 40 FDAB CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@H]3C(N)=O)cc2)CC1 177754008 NCYSLCPSHPNODJ-MOPGFXCFSA-N 372.513 1.991 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccnn1C 502322483 VUWJNRQNDVHQGZ-SJKOYZFVSA-N 356.430 1.045 0 40 FDAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)CC(C)(C)C)O2)no1 77262644 YDLXLNOKIJZOQE-CWRNSKLLSA-N 354.447 1.824 0 40 FDAB biogenic,in-vitro Cc1ccccc1CN1CCN(C(=O)c2cc3c(=O)[nH]cnc3cn2)CC1 187474354 ACKOIOLIAOSUDL-UHFFFAOYSA-N 363.421 1.585 0 40 FDAB NS(=O)(=O)c1ccc(CCNc2nccc(C(F)(F)F)n2)s1 32927096 HVZIAFPTJGMDQX-UHFFFAOYSA-N 352.363 1.859 0 40 FDAB COc1ccc(C(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)cc1 71283733 LAUTYZCLXWQLII-UHFFFAOYSA-N 354.362 1.047 0 40 FDAB Cc1ccc(-c2nc(N3CCNC(=O)C3)ncc2-c2cnccn2)s1 72340299 MMQCTJUZPPZHPA-UHFFFAOYSA-N 352.423 1.907 0 40 FDAB CC(=O)N1CCO[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 72389014 DLVBDNDBGSDWBG-OAQYLSRUSA-N 367.449 1.997 0 40 FDAB COC(=O)c1c(SCC(=O)Nc2ccccc2OC)nc(=O)[nH]c1C 31618338 ZAPBSJMRWKCVTI-UHFFFAOYSA-N 363.395 1.604 0 40 FDAB O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1ccc2c(c1)OCO2 72341621 MGKFFFCKLMIISK-UHFFFAOYSA-N 355.394 1.732 0 40 FDAB CS(=O)(=O)N1CCN(CCNC(=O)Nc2cccc(Cl)c2)CC1 49707067 PMSWXNDFLRFTEM-UHFFFAOYSA-N 360.867 1.039 0 40 FDAB Cn1cnc2c(N3CCN(c4ncnc5ccsc45)CC3)ncnc21 608087308 NAPWZLBPHMXFFQ-UHFFFAOYSA-N 352.427 1.695 0 40 FDAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(c1ccc(C)nn1)CC2 96069758 ZKNZIEYBDBSZHK-MRXNPFEDSA-N 354.458 1.894 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 95346208 KBKWSRPSKIHVNL-FGXLMGHOSA-N 361.829 1.879 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 96250633 CRFPHCFDAKNGLT-CGTJXYLNSA-N 354.410 1.708 0 40 FDAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCc4nccn4C)C[C@H]32)s1 96055606 MUOSIZIXOOONBH-OAGGEKHMSA-N 360.483 1.838 0 40 FDAB Cc1ccccc1N1C[C@@]2(COCCN(Cc3nccn3C)C2)OCC1=O 96240108 ADMRNHZEBQOWJV-FQEVSTJZSA-N 370.453 1.363 0 40 FDAB CC[C@H](C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 583621755 JKHMBMCOPIMIJN-UONOGXRCSA-N 355.442 1.799 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)N1CCC(C(F)F)CC1 583628366 ZADCINDLTIQNNR-GFCCVEGCSA-N 374.409 1.908 0 40 FDAB Cn1cc(CN2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cn1 96050767 DINCONBUJKTDOV-IBGZPJMESA-N 354.410 1.778 0 40 FDAB CCN(CC)CC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257263529 LQJFDYWXTLBIOD-KRWDZBQOSA-N 370.457 1.857 0 40 FDAB Cc1nccc([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257309006 TZCZIVIILBJKLR-LBPRGKRZSA-N 355.320 1.600 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2ccnc(-c3cncc(C(=O)O)c3)c2)C1 257330804 XQDJMHURDGJGAH-ZDUSSCGKSA-N 361.423 1.666 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257336700 YPQHMJBKAXRFAC-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257274950 NNJLESHIBGBTGV-GFCCVEGCSA-N 350.448 1.079 0 40 FDAB Cc1nc(CC(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cs1 257335344 YJTUAOSKADTXAX-HNNXBMFYSA-N 359.442 1.689 0 40 FDAB CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1cc(C(=O)O)ccc1=O 257324097 WNDYTCAOHPJEHK-MRXNPFEDSA-N 353.378 1.948 0 40 FDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1cccnn1 257248584 JEHXXAICLLVZPR-OPNNQBFTSA-N 360.458 1.527 0 40 FDAB CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)nc2)CCO1 257282060 OSEJYLMIPHKJST-KRWDZBQOSA-N 355.394 1.394 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccc(F)cc1OC)C2 253613835 OOSUHJZVMNDWJB-ZDUSSCGKSA-N 371.430 1.039 0 40 FDAB Cc1cc(-c2nccnc2CC2CCN(S(=O)(=O)N(C)C)CC2)[nH]n1 257230451 GCKRDGYHBXVZQT-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB CCc1ncc(CNC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cnn(C)c2C)o1 615976746 RJYMPGPTDVBOFC-GUYCJALGSA-N 359.430 1.505 0 40 FDAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cc(C(F)(F)F)n[nH]1 623036350 XNXSGMOJXQCTAE-LLVKDONJSA-N 359.329 1.828 0 40 FDAB Cc1ncc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)n1-c1ccccc1 643755400 TWQOTFVQBRRKBL-FQEVSTJZSA-N 356.470 1.986 0 40 FDAB O=C1[C@H](NC2CCN([C@H]3CCOC3)CC2)CCN1Cc1ccc(F)cc1 655759428 AAJJHLQDAUBSGU-RBUKOAKNSA-N 361.461 1.770 0 40 FDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)c3ccc4c(c3)COC4)C2)OC1 575406057 XESXKLWBRGIUSM-OAHLLOKOSA-N 370.449 1.960 0 40 FDAB O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cccc(N2CCCC2=O)c1 685941707 GVTVTEGWEDFUKE-JKSUJKDBSA-N 356.382 1.113 0 40 FDAB CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 75610437 ORXXSIZGGFSVDA-ZDUSSCGKSA-N 350.415 1.386 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)c1C 585614524 HMEMRICBWAHMJX-HUUCEWRRSA-N 350.430 1.412 0 40 FDAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 95347289 HIGPSXZFHSASDQ-GFCCVEGCSA-N 352.387 1.574 0 40 FDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1 1615085725 RQEXVNNFKVUARU-HXUWFJFHSA-N 374.485 1.829 0 40 FDAB O=C(CCN1CCCC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615121053 MLAJVTUYGAKDKE-UHFFFAOYSA-N 371.481 1.897 0 40 FDAB CCOC(=O)C[C@@H](C(=O)OCC)[S@](=O)CP(=O)(OCC)OCC 5759694 GYWJUTGZJPKZEF-RULNZOCKSA-N 372.376 1.844 0 40 FDAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)cc1 5032625 LVMCWQAASILQEK-UHFFFAOYSA-N 374.404 1.602 0 40 FDAB CCN(CC)C(=O)CSCC(=O)NCCc1ccc(OC)c(OC)c1 5825394 FTCJBRIIWRCAGA-UHFFFAOYSA-N 368.499 1.964 0 40 FDAB Cc1nc(C(=O)Nc2ccnn2Cc2ccc3c(c2)OCO3)cc(=O)[nH]1 19240933 FBEYNZBAAHURKC-UHFFFAOYSA-N 353.338 1.304 0 40 FDAB CN(C)C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21 19581247 GRBYMTBDTMSPEK-UHFFFAOYSA-N 372.816 1.616 0 40 FDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)N1CC(O)C1 19696626 RGCUGTJAPXNBGF-FQEVSTJZSA-N 369.421 1.468 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)ccc1N 9609632 BCAJUKPCYYBJMO-ZETCQYMHSA-N 358.192 1.422 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1C 4373221 KRZQZEBGOLBLOB-HNNXBMFYSA-N 358.442 1.316 0 40 FDAB CN(C(=O)c1cn(C)nc1C(F)F)C1CN(c2cc3c(nn2)CCC3)C1 1888843875 QIGFUGFXWRXVAH-UHFFFAOYSA-N 362.384 1.597 0 40 FDAB O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc(F)cc2)oc1=O 16277066 AEPFTJGCIORCEQ-UHFFFAOYSA-N 353.309 1.939 0 40 FDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)N=c3ccn(C)[nH]3)C2)cc1C 2037916266 ZZOYSZUCHAKRAH-HXUWFJFHSA-N 372.469 1.303 0 40 FDAB COc1cnc(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1 1565546196 VIXWWPVNZBTWRM-LJQANCHMSA-N 367.409 1.540 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cnn4ccccc34)CC[C@H]21 1565543985 VFFDHBNERDBSPQ-MOPGFXCFSA-N 371.485 1.201 0 40 FDAB O=C(CCc1cncnc1)N1Cc2[nH]nc(COc3cccnc3)c2C1 1565546413 ARFYKKZSGFAEBF-UHFFFAOYSA-N 350.382 1.649 0 40 FDAB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC)cc1 4056940 NYBXHUQKZWYRHC-UHFFFAOYSA-N 373.438 1.745 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359942 GUUVMTQHBUCASD-GDBMZVCRSA-N 367.405 1.931 0 40 FDAB COc1cc(-c2nnc(NC(=O)C3=COCCO3)o2)cc(OC)c1OC 5169558 WUUHPWPADNSOSJ-UHFFFAOYSA-N 363.326 1.589 0 40 FDAB Cn1cc(C(=O)NC[C@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 9661322 WOXLBITXFNPBIJ-CQSZACIVSA-N 352.394 1.585 0 40 FDAB NC(=O)C1CCN(C(=O)CCCn2nc(-c3cccs3)ccc2=O)CC1 13698665 IKFWMGQDOPYEEG-UHFFFAOYSA-N 374.466 1.476 0 40 FDAB CCCS(=O)(=O)N1CCN(Cc2nc3cc(OC)ccc3[nH]2)CC1 38670666 VSILGSWXPPQVDE-UHFFFAOYSA-N 352.460 1.429 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)cc1C 16777379 ITCJWFBGQIPNJS-UHFFFAOYSA-N 362.411 1.942 0 40 FDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCCc2cccc(F)c21 40051307 CJOHFBBZCGKUNC-UHFFFAOYSA-N 373.384 1.838 0 40 FDAB C[C@@H]1CCc2[nH]c3c(C(=O)NCCCNS(C)(=O)=O)cccc3c2C1 30898925 GBHSBLXZGUWVNB-GFCCVEGCSA-N 363.483 1.962 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(Oc2ccncc2)cc1 50487872 BTEIHOVKALGMJM-UHFFFAOYSA-N 361.423 1.543 0 40 FDAB O=C1CCN(S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CCN1 51135136 WACVNAKWAXGTTF-UHFFFAOYSA-N 372.393 1.727 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32097211 DJLNTRRYRIRXJW-CYBMUJFWSA-N 352.398 1.988 0 40 FDAB NC(=O)CN1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 32802717 COCSWKZBVHRXLM-UHFFFAOYSA-N 374.363 1.334 0 40 FDAB CCCCCCNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 22512038 OFNLOMFSGZNAFG-UHFFFAOYSA-N 371.503 1.575 0 40 FDAB NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl 79104109 UHATXNCALDZUKA-CHWSQXEVSA-N 350.806 1.714 0 40 FDAB O=C(CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)Nc1ccccc1 23762768 MOSYOJTZVYMHMW-LJQANCHMSA-N 365.433 1.773 0 40 FDAB O=C(CNC(=O)NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 54649985 APWLUKXZOPXZDK-SNVBAGLBSA-N 359.835 1.012 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(-n2cncn2)nc1 12536398 SGAWHVQTUUGRKH-UHFFFAOYSA-N 364.365 1.417 0 40 FDAB Cc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)c1 8233290 ZSVUPABHLBJYHH-UHFFFAOYSA-N 357.391 1.538 0 40 FDAB O=C(CCc1ccco1)N1CCN(c2nnnn2-c2ccccc2)CC1 24776831 YGQQFYCRMZWLRT-UHFFFAOYSA-N 352.398 1.537 0 40 FDAB CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 100771199 ZVDLSJPOZVWMBQ-QMHWVQJVSA-N 369.506 1.508 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1ccccc1C)C(F)(F)F 100152267 OAQPICDHWFCBKA-HNNXBMFYSA-N 356.300 1.603 0 40 FDAB Cc1ccccc1CCNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 35286692 HWXFDPFTCBAVEE-IBGZPJMESA-N 351.450 1.566 0 40 FDAB CN(C)c1nc(Oc2ccc(=O)n(Cc3ccccc3)n2)nc(N(C)C)n1 27679498 IFBOUTJAEXAZKT-UHFFFAOYSA-N 367.413 1.401 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3247702 WNFINXGUIPKDQZ-AWEZNQCLSA-N 372.446 1.969 0 40 FDAB CCc1ccc(-c2csc(NC(=O)Cn3ccc(=O)[nH]c3=O)n2)s1 12622265 NNNDIGWFVDUODY-UHFFFAOYSA-N 362.436 1.923 0 40 FDAB C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 58014719 ZWBUEBDMGRMTSM-CYBMUJFWSA-N 364.345 1.517 0 40 FDAB CC1CCN(C[C@@H](O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)CC1 58169008 YTCBGLJCJHVTCY-MSOLQXFVSA-N 359.470 1.632 0 40 FDAB O=C(CN1C(=O)CNC1=O)NCc1ccc(Oc2ccc(F)cc2)cc1 10219910 UCUHSJGGIGOPFF-UHFFFAOYSA-N 357.341 1.786 0 40 FDAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 58200965 VNIHUGNVPHGADV-LLVKDONJSA-N 355.232 1.355 0 40 FDAB CCS(=O)(=O)CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 58293282 CIMGTPZBVIBHBI-UHFFFAOYSA-N 357.382 1.891 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCn1nnnc1C 100753386 DENAAACGXCFPEL-TZMCWYRMSA-N 352.402 1.011 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NOCc1ccccc1 58343631 RCLMRIYAOCAORH-QGZVFWFLSA-N 360.435 1.621 0 40 FDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1nnc2ccccn12 12899001 SCEGQJDQRHTAIU-UHFFFAOYSA-N 357.801 1.819 0 40 FDAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(Cc1cccnc1)C2=O 36678964 MQSOENBFGDCLTR-QGZVFWFLSA-N 350.378 1.780 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1 10385206 NQEIQFILAWBMFR-KBPBESRZSA-N 350.440 1.795 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11548008 XZCPSJAQHGMZAQ-JTQLQIEISA-N 374.372 1.501 0 40 FDAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CC1 3537435 DCLLYRGEMYBNDR-NRFANRHFSA-N 363.417 1.955 0 40 FDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 2653264 RZSYSEPUUIQHHL-UHFFFAOYSA-N 357.366 1.533 0 40 FDAB COc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1-n1cnnn1 71285984 JYCDFKTYRVNSPY-UHFFFAOYSA-N 353.338 1.550 0 40 FDAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)ccc21 13306925 INMBXDKOCWDBBX-INIZCTEOSA-N 366.439 1.614 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2cnc3sccn3c2=O)n1 4121097 JNANGBWMESBNDO-UHFFFAOYSA-N 364.408 1.570 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NC[C@@H]1COc2ccccc2O1 14161194 CPHBTBXOZMCECL-CQSZACIVSA-N 368.389 1.758 0 40 FDAB NC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 6553366 YFPAGMWYJMEJSF-UHFFFAOYSA-N 372.469 1.495 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2C(=O)CNC2=O)cc1 9384620 NWQYYZWSSLTHRE-UHFFFAOYSA-N 353.334 1.719 0 40 FDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 6904191 GKLQHKCQXMCOCQ-GXDHUFHOSA-N 373.800 1.752 0 40 FDAB Cc1cc(C)c2c(NC(=O)C(=O)NC[C@@H](O)c3ccccc3)n[nH]c2n1 9421177 MKXGGXLCAXEEHP-CYBMUJFWSA-N 353.382 1.363 0 40 FDAB O=C(NCCc1ccccc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858502 DXFXDOQOKAJGRG-UHFFFAOYSA-N 358.419 1.726 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc3ccccc3c2=O)c1C 7888222 VXGNOPAZTRTBFC-UHFFFAOYSA-N 354.366 1.796 0 40 FDAB CN1CC[C@@H](C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)CC1=O 81810498 KANVGKBVCZYNDM-GOSISDBHSA-N 371.481 1.549 0 40 FDAB Cc1cc(CN2CCN(CCCc3nnnn3-c3ccccc3)CC2)no1 69652008 JDSGDCYRLDEWNP-UHFFFAOYSA-N 367.457 1.709 0 40 FDAB COc1ccc(Cl)cc1NC(=O)Cn1nnn(-c2cccs2)c1=O 9689833 YNHKNDHLWGNYES-UHFFFAOYSA-N 365.802 1.791 0 40 FDAB Cc1ccc(C)c(N2N=C(C(=O)Nc3nn(C)cc3C(N)=O)CCC2=O)c1 89616860 BGAZTIPQOPEFPV-UHFFFAOYSA-N 368.397 1.257 0 40 FDAB Cc1cc(NC(=O)c2snnc2C)n(-c2nc(O)c3c(n2)CCC3)n1 38486286 PBJFHHOENZXGCU-UHFFFAOYSA-N 357.399 1.577 0 40 FDAB COc1ccc(CCNC(=O)COC(=O)c2ccc(N(C)C)nc2)cc1 32831402 URVJXPAHZIJRHS-UHFFFAOYSA-N 357.410 1.672 0 40 FDAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H]1CCC(=O)N1C 502098901 PICXWMAZTKMBRI-HNNXBMFYSA-N 361.442 1.870 0 40 FDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCSCC1)cn2CC(=O)O 36354708 ZDJSZQKOUIEEKE-MRXNPFEDSA-N 364.423 1.909 0 40 FDAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cccnc1 70893985 DOUQOKNXLINRMP-UHFFFAOYSA-N 367.409 1.084 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655974 RJONKBYPWSAITP-MRXNPFEDSA-N 363.425 1.590 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 225405718 ICIZTFSBLSAEMT-CYBMUJFWSA-N 370.409 1.607 0 40 FDAB Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)on1 96207456 JRCKJIMCKYCICX-AWEZNQCLSA-N 353.382 1.926 0 40 FDAB COc1ccc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)cc1 96049507 MJZZAUQGCOBXJE-HXUWFJFHSA-N 371.485 1.928 0 40 FDAB CN1CCN([C@@H]2CCN(Cc3nccs3)[C@H]2Cc2cnn(C)c2)CC1 96061729 KXTYPVZXCOMHDW-SJORKVTESA-N 360.531 1.310 0 40 FDAB Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 96039536 JJFCUUMONJERDM-SJLPKXTDSA-N 351.447 1.573 0 40 FDAB CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1 95481243 YNQJEMZWZNZHCU-INIZCTEOSA-N 365.817 1.752 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccoc3C)CC2)O1 96036755 RIXZJRVDGQAJLO-CQSZACIVSA-N 358.398 1.061 0 40 FDAB Cc1cn([C@@H]2CN(C(=O)OCc3ccccc3)CC[C@@]2(C)O)c(O)nc1=O 257307255 SXWSHOHHSNCIQJ-DNVCBOLYSA-N 373.409 1.592 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 253472425 MEABQILMMCIRQO-BETUJISGSA-N 368.418 1.467 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1cncc(CNC(C)=O)n1 257286913 PNQAOWJROPISSL-MRXNPFEDSA-N 356.430 1.235 0 40 FDAB COc1ccc2cc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)[nH]c2c1 588703996 YWKFCVZXVCBWGT-GOSISDBHSA-N 370.453 1.731 0 40 FDAB CCOc1cnc(C(=O)N2CCc3c(ncn3C)C23CCOCC3)cn1 1615588346 DEAVFCDGZZAWFD-UHFFFAOYSA-N 357.414 1.313 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1 35360233 ODCYKKLKNYSAMN-KSSFIOAISA-N 367.449 1.531 0 40 FDAB biogenic O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90610654 QEXVVIFHQFUWSR-MRXNPFEDSA-N 374.824 1.741 0 40 FDAB Cc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)nc(-c2cccnc2)n1 643719889 NWZHZVUYHHLNKL-IBGZPJMESA-N 355.442 1.657 0 40 FDAB Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3Cn4c(C)nnc4CN3C)c12 644335825 CEZFCECRNJLGHH-INIZCTEOSA-N 352.442 1.549 0 40 FDAB CC(=O)N1CCc2sc(S(=O)(=O)Nc3cccnc3O)cc2C1 656621689 UVJRBNMMYAAVOY-UHFFFAOYSA-N 353.425 1.554 0 40 FDAB CO[C@@](C)(C(=O)O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 663130548 JVGOCZPYECOCHO-OAHLLOKOSA-N 371.231 1.587 0 40 FDAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)C(C)C)C2 575404070 MBNDESLRPBMZPR-MRXNPFEDSA-N 354.472 1.878 0 40 FDAB CO[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@]12C[C@@H](c1ccccc1)CO2 585294139 QJICBCXLOYSSJW-DBXWQHBBSA-N 372.465 1.799 0 40 FDAB Cc1snnc1C(=O)N1Cc2cn(C)nc2[C@H](COc2cccnc2)C1 585111035 VMHNXWFUIBVQPX-ZDUSSCGKSA-N 370.438 1.794 0 40 FDAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC[C@H]1CCCO1 67126763 HVLMCPQNXYQDTF-CQSZACIVSA-N 372.391 1.518 0 40 FDAB COCCCS(=O)(=O)NCCN1CCN(Cc2ccccc2C)CC1 72310585 PCKGNZKCQNYZTG-UHFFFAOYSA-N 369.531 1.069 0 40 FDAB COC(=O)c1cc(CNC(=O)NCCNC(=O)c2ccccc2)oc1C 48514462 KCBWSNSBINBREJ-UHFFFAOYSA-N 359.382 1.604 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(CC(=O)N4CCCC4)CC3)nn2)n1 78783187 XMUUAPBNNOVYCK-UHFFFAOYSA-N 369.473 1.024 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C 102399095 YIOJKFJHBLLWAO-HUUCEWRRSA-N 372.421 1.960 0 40 FDAB CCc1noc([C@]2(O)CCN(C(=O)NCCc3ccc4c[nH]nc4c3)C2)n1 585083097 OKFMCARERJZOPJ-SFHVURJKSA-N 370.413 1.354 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2cccs2)cc1 5958640 BANAUNFWHMBGRS-UHFFFAOYSA-N 374.465 1.716 0 40 FDAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(N)=O)C2)on1 12121237 FGPWYXGYXZLUPD-CYBMUJFWSA-N 354.414 1.666 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccnc21 12144860 QHOKQAZNJJMBAN-UHFFFAOYSA-N 367.409 1.210 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)OCCO3)c1=O 12427762 ISIIMBVWHRPYFM-UHFFFAOYSA-N 352.346 1.354 0 40 FDAB biogenic,in-vitro Cc1nnc(SCC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CC=CCC2)o1 19288326 CGJCRXOBOCGKAZ-ZOWXZIJZSA-N 350.444 1.590 0 40 FDAB O=c1[nH]c(CN2CCN(C[C@H](O)c3cccs3)CC2)nc2ccccc12 19375873 PCWCNWWJYBOXMQ-INIZCTEOSA-N 370.478 1.836 0 40 FDAB COC(=O)[C@H](NC(=O)[C@H]1CN(C)C[C@@]12CCc1ccccc1C2=O)C(C)C 19445273 NZOYZBFGZLDSBD-LZJOCLMNSA-N 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O=C(CCc1cncnc1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 585108663 SFEFQEPRTHNKOV-RYRKJORJSA-N 372.400 1.781 0 40 FDAB COc1ncccc1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CN)C1 952852341 YTEKNSVOQADPGB-CHWSQXEVSA-N 360.380 1.801 0 40 FDAB O=C(CN1CCC2(CC1)NC(=O)c1ccccc1O2)NCc1ccco1 12183441 USMQEKBANPFZDZ-UHFFFAOYSA-N 355.394 1.510 0 40 FDAB O=C(CSc1nnnn1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12882637 BDHMWHKQPDSUGE-CQSZACIVSA-N 358.471 1.491 0 40 FDAB NC(=O)C1(N2CCOCC2)CCN(Cc2ccc3ccccc3n2)CC1 19656955 MTQWWGRBAAZTPM-UHFFFAOYSA-N 354.454 1.387 0 40 FDAB Cn1cnn(CCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1=O 555065171 MNXNWDFZFSRMDX-CYBMUJFWSA-N 371.466 1.988 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)c1 1888843259 QMKSQBCGBURSSJ-GHMZBOCLSA-N 366.347 1.437 0 40 FDAB CCN=c1cc(C)nc(N2CCN(Cc3cn4ccccc4n3)CC2)[nH]1 1889148994 QNWBLIWDNLLGOC-UHFFFAOYSA-N 351.458 1.609 0 40 FDAB CN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccs1 22396663 LXIPHEXZAPEJJJ-UHFFFAOYSA-N 356.444 1.867 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 9883256 JECODRMTGCWXFM-GFCCVEGCSA-N 361.261 1.690 0 40 FDAB Cn1ccnc1C(=O)N1CC[C@H]2[C@@H](COCCN2c2ccc(F)cc2)C1 2037984564 FXLVQORNQYYACC-PBHICJAKSA-N 358.417 1.927 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CCc1ccccc1)CCO2 2037985450 KKCSZKQCQPBWOD-FQEVSTJZSA-N 360.454 1.484 0 40 FDAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1Br 89091803 OQYKOUUELKAYIG-LDYMZIIASA-N 351.241 1.994 0 40 FDAB CN(C(=O)c1cncc(F)c1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565522879 AVTQTUHPTHTQTQ-UHFFFAOYSA-N 367.388 1.497 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4373616 KDQDANAOEJOPKP-CQSZACIVSA-N 368.393 1.721 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1cccc(Cl)c1 4370629 PDNMZOYPGKHBCX-UHFFFAOYSA-N 357.801 1.697 0 40 FDAB O=C(COc1cccc2c1CCNC2=O)Nc1ccc2c(c1)OCCO2 4851136 GJWWBMDZSGQHGC-UHFFFAOYSA-N 354.362 1.761 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941478 LEYYIMLBNDMOCD-HNNXBMFYSA-N 361.398 1.385 0 40 FDAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(Cc3cccnc3)CC2)[nH]1 2055704371 YKBNHEBLXQHYEX-UHFFFAOYSA-N 365.441 1.064 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2cncc(-c3ccoc3)c2)CC1 575620076 KABZVBXSDPUIRA-UHFFFAOYSA-N 363.439 1.629 0 40 FDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1cccc(NS(C)(=O)=O)c1 585149498 AZDICQOSIAGVFZ-OLZOCXBDSA-N 353.444 1.405 0 40 FDAB Cc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)nn1C 12443034 DRVTZVKCZAVMNP-UHFFFAOYSA-N 366.337 1.013 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cs1 40153383 FPUOXXNYONAJMP-GFCCVEGCSA-N 362.455 1.507 0 40 FDAB CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 51203730 GDRXMSFODFNMBV-UHFFFAOYSA-N 357.476 1.997 0 40 FDAB CSc1ccc(N2C[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 32909598 PPAWLQVFNJPDOA-NEPJUHHUSA-N 368.480 1.065 0 40 FDAB OC[C@@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H]1O 2387025 ZKWSVFAALQBHRF-XGUBFFRZSA-N 355.184 1.420 0 40 FDAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 3015700 FHQCIBHOPHDCGO-UHFFFAOYSA-N 357.389 1.988 0 40 FDAB CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1 4259026 GEBOCGKPZOOTQE-UONOGXRCSA-N 352.394 1.461 0 40 FDAB biogenic,in-vitro CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NCc1ccccc1OC 104897182 XGHTWHOMOGVCFO-LZYBPNLTSA-N 364.423 1.291 0 40 FDAB CCOC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 1058059 CWAJRCIFVOVRAR-OAHLLOKOSA-N 364.423 1.594 0 40 FDAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 4944771 CHFKANLEEOSYFE-SSDOTTSWSA-N 353.151 1.728 0 40 FDAB C[S@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1 42766147 BLPNRUIXQXFDNU-RUZDIDTESA-N 360.483 1.856 0 40 FDAB COc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1 7211867 KAQXTQMXVZUIEJ-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB CNC(=O)CN1CCC(NC(=O)c2cc(C)nc3cc(F)ccc23)CC1 25236208 VSOZRBZMSRGXGO-UHFFFAOYSA-N 358.417 1.623 0 40 FDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 107333714 BMDPSQHQIZWBGF-SZMVWBNQSA-N 369.465 1.701 0 40 FDAB C[C@H]1CN(S(=O)(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)C[C@@H](C)O1 107536937 KJKJKBSAFUHKCP-SKKLXFKPSA-N 360.501 1.429 0 40 FDAB Cc1occc1CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 57010933 YLNBVOOVGIPIIF-UHFFFAOYSA-N 351.428 1.973 0 40 FDAB O=C(NCCn1cnc2ccccc21)[C@@H]1CCCN(c2ncccn2)C1 58191131 OAMCHFAVDWKJLA-OAHLLOKOSA-N 350.426 1.859 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nncn2-c2ccccc2C)CC1 10244206 RXUKBVGXHJGNAD-UHFFFAOYSA-N 359.455 1.359 0 40 FDAB COc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccc1OCC(N)=O 58265182 MAMRTENWCLQXRK-UHFFFAOYSA-N 360.414 1.344 0 40 FDAB Cc1cc(NC(=O)CNC(=O)[C@H](C)n2cncn2)ccc1Br 58231228 BXKKALHFXKBXSK-JTQLQIEISA-N 366.219 1.665 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cc(C)ccc23)CC1 20393329 NDDPMWIMZLTDIK-UHFFFAOYSA-N 358.442 1.839 0 40 FDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997993 BPAFYFHTPYUMLZ-GOSISDBHSA-N 367.453 1.975 0 40 FDAB COC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 58306868 GEMGSPCHHPECJS-ZDUSSCGKSA-N 355.416 1.106 0 40 FDAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 12754670 ZGIWCQZMFQSXHA-CQSZACIVSA-N 363.439 1.623 0 40 FDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCCCn1ccnc1 100217261 AURAOKRDZWLDII-TWOQFEAHSA-N 366.421 1.867 0 40 FDAB O=C(Nc1cc(F)cc(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782747 KDNGANBPGSXDDG-GFCCVEGCSA-N 371.365 1.069 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1 36408711 QKWSWCFWMWGWQZ-UHFFFAOYSA-N 354.248 1.860 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccs1 20559154 VCTOGHGWMHMLNX-CQSZACIVSA-N 351.428 1.251 0 40 FDAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C1CCN(C)CC1 2633048 HRFDBSYTMSLANE-LBPRGKRZSA-N 373.906 1.559 0 40 FDAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCCC1 12004539 JFECUCMTSRGUMU-UHFFFAOYSA-N 374.484 1.410 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccc(F)c1 13003631 WRGPHGNBRGQGKC-SFHVURJKSA-N 370.428 1.898 0 40 FDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 9060868 KKTVAEKVCWOBKM-NEPJUHHUSA-N 370.452 1.137 0 40 FDAB Cc1ccc(NC(=O)c2ccn(C)n2)cc1S(=O)(=O)N1CCOCC1 4174009 DYGJETZVIDRNIZ-UHFFFAOYSA-N 364.427 1.002 0 40 FDAB CCCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087306 APZBKALLQDBYBJ-UHFFFAOYSA-N 357.197 1.939 0 40 FDAB C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)NC(=O)NC5=O)c23)C1 14199946 VEHSLMPIGMLZPT-JTQLQIEISA-N 371.466 1.995 0 40 FDAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 14135056 JUEFHGDCZRNCIB-QGZVFWFLSA-N 351.353 1.744 0 40 FDAB Cc1ncsc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005368 YBJUGGHUBLBYAQ-ZDUSSCGKSA-N 357.501 1.918 0 40 FDAB Cc1cc(N2CCC[C@H](N3CCN(C(=O)CC(C)C)CC3)C2=O)n(C)n1 96002435 LQRCKDHWUMXJFE-INIZCTEOSA-N 361.490 1.414 0 40 FDAB Cc1ccc2[nH]c(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)nc2c1 9319410 WJWQHXXJDGIJRE-UHFFFAOYSA-N 370.438 1.411 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 16400183 PMTYQNORHODXIW-GOSISDBHSA-N 355.350 1.888 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)Cc2ccccc2)cc1 16594863 QGEKFOBCFBMTLH-UHFFFAOYSA-N 353.422 1.751 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)Cn1nnn(-c2cccs2)c1=O 16878131 KGCKBGVIFJTDLJ-UHFFFAOYSA-N 367.438 1.766 0 40 FDAB CSCCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8316046 RJHISBCOFXPFRJ-UHFFFAOYSA-N 356.492 1.517 0 40 FDAB O=C(CNC(=O)CNC(=O)c1ccco1)NCCSc1ccccc1 8361352 PAHPYDIZFWLYMI-UHFFFAOYSA-N 361.423 1.034 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCOc2ccccc2C(N)=O)cc1 8745847 QOZREZZGCDAOLH-UHFFFAOYSA-N 364.423 1.494 0 40 FDAB COC[C@@H](O)CN1CCC(NC(=O)Nc2nc3c(s2)CCCC3)CC1 89682740 PDSHSLYWFQFLCO-ZDUSSCGKSA-N 368.503 1.615 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c(OC)c1 20461345 JJKOAHLJHHWVJB-LBPRGKRZSA-N 371.459 1.161 0 40 FDAB CC(C)[C@@H](C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 26670641 YEVFCXSLISYBBQ-CQSZACIVSA-N 367.515 1.502 0 40 FDAB O=C(c1ccncc1)N1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 306133479 MMWJNPZBZQLUPA-NRFANRHFSA-N 373.416 1.888 0 40 FDAB Cc1cc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)no1 408645833 LLPJHMWTFMDXAT-UHFFFAOYSA-N 351.403 2.084 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)NCc2nc(-c3ccco3)no2)c1C 524733088 SEKUXFIHTPSUEH-UHFFFAOYSA-N 371.382 1.914 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326773 MPBMHSOXNHFYMH-XCLFUZPHSA-N 372.469 1.854 0 40 FDAB CC(=O)NCC(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355199 WQLLMAXLBYYDJE-KRWDZBQOSA-N 358.486 1.463 0 40 FDAB CCOC(=O)[C@@H]1C[C@](C)(C(C)=O)CN1S(=O)(=O)c1ccc(C)cc1 219775751 NMWRKYVEDIQCNQ-RDJZCZTQSA-N 353.440 1.916 0 40 FDAB O=C(CCN1C(=O)CCC1=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 329089939 ITEMGSCWKXPJPJ-UHFFFAOYSA-N 368.437 1.883 0 40 FDAB CC1(C)CC(N2Cc3nc(N4CCOCC4)ncc3C2=O)CC(C)(C)N1 46087995 RVXGVSDIFQUXKC-UHFFFAOYSA-N 359.474 1.578 0 40 FDAB CNc1ncc2c(n1)CN(CC1(N3CCN(C)CC3)CCCCC1)C2=O 46088842 FUBYPARABAQBJT-UHFFFAOYSA-N 358.490 1.424 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 96237978 CHEMXKWZOIJFOY-KRWDZBQOSA-N 367.446 1.041 0 40 FDAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2C)c1OC 585084034 XQDZPWZKYDJJAG-NSHDSACASA-N 361.402 1.328 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C)cc1-n1cnnn1 96191694 BRZCKPFRGILVLJ-OUCADQQQSA-N 365.459 1.774 0 40 FDAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(C(C)=O)CC1 95479195 DEJUVFBMVMVQKG-OAHLLOKOSA-N 365.503 1.318 0 40 FDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccncc3F)CC2)N1 96199733 AVFLXQGAYAGHLG-HNNXBMFYSA-N 354.385 1.894 0 40 FDAB CCN1C(=O)[C@H](c2cnn(C)c2)CC12CCN(Cc1nccn1C)CC2 96199527 ZLOUWVLGPNCIGI-INIZCTEOSA-N 356.474 1.524 0 40 FDAB COC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1S(C)(=O)=O 96208212 KEGBMNAYMVACPB-CYBMUJFWSA-N 358.439 1.025 0 40 FDAB Cc1cc(C(=O)N2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)c(C)o1 247558864 YCNVXHHIJWSVBD-CYBMUJFWSA-N 366.443 1.229 0 40 FDAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(C3CCOCC3)C[C@@H]21)c1ccccc1 245482334 KNEMWSDRPKXBEF-ZTFGCOKTSA-N 366.483 1.091 0 40 FDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)COC2CCCC2)C3)n1 253477310 FCIKBEOQNFEUQB-INIZCTEOSA-N 361.442 1.883 0 40 FDAB CC(C)OCC(=O)N1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 257250169 JLIQLJHOOSRZAG-MRXNPFEDSA-N 357.414 1.940 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)Cc2ccccn2)C3)n1 253601029 HKEYERHZAXXUSA-INIZCTEOSA-N 354.410 1.562 0 40 FDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)n1 257271255 MXOJQTXBORPHAN-KRWDZBQOSA-N 357.458 1.788 0 40 FDAB O=C(Nc1ccc2nnnc(O)c2c1)c1c[nH]c2c(F)cccc2c1=O 604418832 JOYUXLVLYFAGDI-UHFFFAOYSA-N 351.297 1.963 0 40 FDAB NC1(CNC(=O)c2ccc(C(=O)O)nc2)CCN(Cc2ccccc2)CC1 656853602 BKUYLWHCWSGWFW-UHFFFAOYSA-N 368.437 1.503 0 40 FDAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCCc1ccncc1 585095852 PHJNCASAGIGLFX-GOSISDBHSA-N 367.453 1.711 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21 585112335 NFUPOZJJZWYTNZ-MRXNPFEDSA-N 366.462 1.909 0 40 FDAB O=S(=O)(c1ccccc1F)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585094010 ZKSCQLIAKHHTPN-AWEZNQCLSA-N 354.447 1.293 0 40 FDAB CN1C(=O)N[C@@](C)(c2ccc(NC3CCN([C@@H]4CCOC4)CC3)cc2)C1=O 585091322 KHVSCBJVMVRQPP-XLIONFOSSA-N 372.469 1.749 0 40 FDAB CCN(CC)S(=O)(=O)CC(=O)N1CCN(Cc2cccs2)CC1 74170087 JHKGZFLXTIJAKN-UHFFFAOYSA-N 359.517 1.064 0 40 FDAB O=c1sccn1Cc1cc(F)ccc1NS(=O)(=O)N1CCOCC1 1565516810 LLWZUOGIGARMJT-UHFFFAOYSA-N 373.431 1.086 0 40 FDAB 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CCCCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NCCOC)C2 2055714605 LXDPKLQVARKBJD-CQSZACIVSA-N 350.463 1.518 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)cn1 2055746291 KLOLHJFNQHPBAF-OKZBNKHCSA-N 357.454 1.647 0 40 FDAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1ccccc1F)CC2 2055732582 QSJNPXCARGLUSO-LLVKDONJSA-N 353.419 1.711 0 40 FDAB Cc1csc(C(=O)N2CCO[C@@]3(COCCN(CCN(C)C)C3)C2)c1 2055815503 XXBVXKBFTSAOQA-GOSISDBHSA-N 367.515 1.162 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904796 CXGOWLPJMQNKTO-UHFFFAOYSA-N 371.351 1.298 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CC(n2cc(-c3ccccc3)nn2)C1 225663403 BUXIZJXDBAJTQH-UHFFFAOYSA-N 359.393 1.773 0 40 FDAB O=C([C@@H]1CCCN(c2ncnc3n[nH]cc23)C1)N1CCC(F)(F)CC1 2298048305 SIHCZBSOINJAGM-LLVKDONJSA-N 350.373 1.827 0 40 FDAB Cc1nnc2c(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nccn12 2298194492 SGVQLXVUVVQOSR-CYBMUJFWSA-N 364.400 1.907 0 40 FDAB NCCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 19348028 JOVVCXUGGQMKJZ-AWEZNQCLSA-N 368.416 1.483 0 40 FDAB 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O=C1CCc2cc(S(=O)(=O)Nc3cnc4c(c3)COCC4)ccc2N1 1254223243 RAPLMXCVEYFYIM-UHFFFAOYSA-N 359.407 1.840 0 40 FDAB O=C(NCCc1ccoc1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 90607447 YGTZAIHODZEFBX-UHFFFAOYSA-N 367.405 1.802 0 40 FDAB CO[C@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1Cc1ccccc1F 585276603 NYEBSVNAYPDXIM-AEFFLSMTSA-N 350.434 1.564 0 40 FDAB CN(C)C(=O)c1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 585291832 DWZOABPXGRHPOK-VAMGGRTRSA-N 372.440 1.849 0 40 FDAB O=C(CN1CCO[C@](CO)(Cc2ccccc2F)C1)N1CCCCC1 585275779 AGCCMEQIOIZQKG-LJQANCHMSA-N 350.434 1.444 0 40 FDAB O=C(C1CC(O)C1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 585108490 PBSPLIOUDVKDDN-BZWMRVRASA-N 360.454 1.767 0 40 FDAB O[C@@H]1[C@@H](NCCN2CCOCC2)CCC[C@H]1Oc1cccc(Cl)c1 585290119 SNOCTLIGFLNWHF-RCCFBDPRSA-N 354.878 1.923 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)n1 585108274 MTPWLLLNDUDHHC-ARFHVFGLSA-N 357.414 1.047 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)no1 585095552 WQCVYKUSSJNWKS-CQSZACIVSA-N 352.460 1.356 0 40 FDAB C[C@H](C(=O)NC(=N)NC(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O 1775976008 HZQMAGMRFAZOBG-SECBINFHSA-N 360.370 1.247 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(Cl)cc2)c1=O 5000114 XCALECUMYWREMY-UHFFFAOYSA-N 371.824 1.713 0 40 FDAB CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 12367314 NKGNLZGEMPILKU-CYBMUJFWSA-N 370.409 1.536 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(Cl)cc1 12378564 ZWTDRTNLJKBYAO-NPJQDHAYSA-N 371.817 1.461 0 40 FDAB Cc1csc(NC(=O)COC(=O)c2ccc(Cn3cncn3)cc2)n1 14148364 AKHPYYGNNSZMSX-UHFFFAOYSA-N 357.395 1.887 0 40 FDAB COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)n[nH]2)c1 15679319 IKVHDVCYNRKTKL-UHFFFAOYSA-N 364.409 1.838 0 40 FDAB CCC(=O)N1CCC(c2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697357 MLIXXFALXGLBGA-CQSZACIVSA-N 359.474 1.604 0 40 FDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)COc2ccccc2)CC3)C1 19709478 CDVHXELGFJPEPJ-MRXNPFEDSA-N 369.469 1.551 0 40 FDAB CCn1nc(C(=O)NC[C@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 19717037 NXPZRIJQDQTTNT-QGZVFWFLSA-N 372.469 1.503 0 40 FDAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)C(C)C)n2)CC1 19752133 ZCXYRGJTNMSDKN-UHFFFAOYSA-N 363.506 1.443 0 40 FDAB Cc1cccc(CC2(O)CCN(C(=O)N[C@@H]3CC[S@@](=O)C3)CC2)c1 525984240 MRTYAGHXCGJJDJ-VOIUYBSRSA-N 350.484 1.595 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)c3cccnc3O)CC2)nc(O)c1F 1888866261 NDJCGXQCHUEGFF-UHFFFAOYSA-N 361.377 1.508 0 40 FDAB O=C1[C@@H]2CN(c3ncnc4cnccc34)C[C@H]2C(=O)N1Cc1ccccc1 1888890860 KMDMUHSSTABYIM-HZPDHXFCSA-N 359.389 1.646 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)n1 18804713 RGBYZWDVJAJUNS-UHFFFAOYSA-N 361.406 1.664 0 40 FDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC(Oc2cccnc2)C1 238955887 XYKRSRYEALBANZ-UHFFFAOYSA-N 368.361 1.981 0 40 FDAB Cn1cnc2c(N3CC[C@@H](COc4ccc5nccn5n4)C3)ncnc21 2087056942 IVLZONPYVODINQ-GFCCVEGCSA-N 350.386 1.311 0 40 FDAB Cc1ccnc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1 585593794 KOBYIJDVJUHTOF-UHFFFAOYSA-N 350.430 1.815 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 800519 KWSSDVKAIWNBEN-UHFFFAOYSA-N 374.374 1.256 0 40 FDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)C3CCNCC3)C1)O2 12122886 JOECVPOWFKANCO-FQEVSTJZSA-N 373.453 1.178 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 35807236 XYCMDFUIMUCXTH-ZWKOTPCHSA-N 353.422 1.601 0 40 FDAB biogenic O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(=O)N(c2ccccc2)C1 40074170 WWAOWJQVZXRZPZ-CQSZACIVSA-N 353.426 1.674 0 40 FDAB COc1ccc(NC(=O)CCSc2nnnn2C)cc1NC(C)=O 40157230 RAEHHQHWJIEOSH-UHFFFAOYSA-N 350.404 1.298 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)NCc3nc4ccccc4s3)cnc21 31099378 OVWMDNRIIGYZLC-UHFFFAOYSA-N 368.422 1.446 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCCc4c3cnn4C)ccc21 31594634 PBUWGUGBAWWKNE-ZDUSSCGKSA-N 367.409 1.251 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2ccc(C)o2)CC1 51097621 JZAMMKGUBLFKCB-GFCCVEGCSA-N 350.419 1.016 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1-n1cnnn1)CC2 20426757 RJDUVKHPYSKQMR-UHFFFAOYSA-N 365.393 1.878 0 40 FDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3)cc(C(C)C)nc21 32033057 BRFYPGVMVDTBIC-UHFFFAOYSA-N 367.409 1.553 0 40 FDAB O=c1c(N2CCOCC2)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101711862 AGCXQFVLNSHSIM-UHFFFAOYSA-N 361.829 1.099 0 40 FDAB COc1ccccc1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccn1C 32842436 GPWUFFHXUVIUPC-DOMZBBRYSA-N 363.439 1.069 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1-n1cnnn1 33082117 RWBOTCMJUTZAIR-ZIAGYGMSSA-N 368.397 1.084 0 40 FDAB CCOC(=O)N1CCN(c2nc(=O)c(-c3ccc(OC)cc3)n[nH]2)CC1 41604419 RYWYJPQWJOGPSE-UHFFFAOYSA-N 359.386 1.119 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 61718006 MRHHTXFQDCNGEH-UHFFFAOYSA-N 356.411 1.939 0 40 FDAB CCCOc1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 7709314 FZRKXZCFGWWIHJ-UHFFFAOYSA-N 370.452 1.924 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)CC1=O 43007299 FURBHNCWFKLGSC-QGZVFWFLSA-N 371.481 1.929 0 40 FDAB COCCN(Cc1ccco1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 25095769 JOPGRKGGJXAXTO-UHFFFAOYSA-N 362.382 1.441 0 40 FDAB CC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12556587 JCUOHDJTDBCDJO-GFCCVEGCSA-N 366.487 1.671 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102084233 QCUPPTXXHCVMAC-GBALJZQLSA-N 352.390 1.687 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 25206162 FHHJYSRUFGSNEB-UHFFFAOYSA-N 366.270 1.558 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(-n2cccn2)cc1 57372020 TXECJJXQBLBPSF-HNNXBMFYSA-N 365.480 1.409 0 40 FDAB COCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57489968 WFONWBAIZXJTCL-UHFFFAOYSA-N 373.434 1.285 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 58380852 HRKRCQSRHZVQRD-UHFFFAOYSA-N 372.406 1.224 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C 22510911 GLWSJFPETSQTIC-HNNXBMFYSA-N 365.474 1.895 0 40 FDAB CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)NC)cc1 58192785 NEGIZHNATUVUGX-UHFFFAOYSA-N 368.455 1.400 0 40 FDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2OC)CC1=O 95390020 JFHOXNUBGJPQHC-SJORKVTESA-N 360.454 1.724 0 40 FDAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCOC3)CC2)n1 100204530 BFBVABPERGWJFG-XHSDSOJGSA-N 374.485 1.913 0 40 FDAB Nc1nccnc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12753695 JANQRQKPGANMLM-UHFFFAOYSA-N 368.393 1.565 0 40 FDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150385 ADFSMYPLWQQDJX-XMDUPGNXSA-N 362.401 1.803 0 40 FDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 26770489 QJBWUXTXFHTQTK-GFCCVEGCSA-N 351.877 1.846 0 40 FDAB C[C@H]1c2cccn2CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 12771642 LWPIKTIGAKBIOC-LBPRGKRZSA-N 356.382 1.942 0 40 FDAB Cc1cccc(N2CCN(C(=O)CCNC(=O)c3ccncc3)CC2)c1 36397152 BQHVJLXCLNEOEV-UHFFFAOYSA-N 352.438 1.859 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(F)ccc1F 27549895 UODDNYAYUWFLHK-UHFFFAOYSA-N 367.377 1.613 0 40 FDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)COCCOc1ccccc1 58217817 KLZYOAJSLBNCSC-OAHLLOKOSA-N 366.483 1.898 0 40 FDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1=O 45750575 VUSGTOHRFOQPFW-UWWQBHOKSA-N 369.465 1.866 0 40 FDAB CCCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(=O)n(C)c(=O)n(C)c21 11845259 KHYBKMFSLNFYIC-CHWSQXEVSA-N 360.458 1.567 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2nccs2)c1 57279530 BUQWCJGWENFLFY-UHFFFAOYSA-N 366.428 1.626 0 40 FDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 10151726 WMGBNUHUNCSNIF-HOTGVXAUSA-N 372.421 1.727 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2F)cc1 3437480 DWCDCDFGUDXMGZ-UHFFFAOYSA-N 368.455 1.924 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 3452094 JNXRNVUGSYKOOS-NSHDSACASA-N 365.411 1.221 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)OC)s2)CC1 12977530 XGKQMHBDOKWBQO-UHFFFAOYSA-N 360.457 1.535 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 13005241 XPKCFHFVKDJYLM-UHFFFAOYSA-N 356.334 1.190 0 40 FDAB CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71285774 HCEYBVXCXCRFIW-ZDUSSCGKSA-N 351.378 1.019 0 40 FDAB O=C(CSc1nc2c(-c3ccccc3)cnn2c(=O)[nH]1)N1CCOCC1 9105213 YRRZSFFUJIBINW-UHFFFAOYSA-N 371.422 1.036 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccccc1C 9154865 UJXFLHQUFTYXQT-UHFFFAOYSA-N 362.451 1.739 0 40 FDAB Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1F 13985552 MRMKTEQKQZLXAS-UHFFFAOYSA-N 356.151 1.385 0 40 FDAB CC(C)c1cc(C(=O)OCC(=O)N2CCNC2=O)c2cnn(C(C)C)c2n1 14120792 PFVUGZMTCNBDPP-UHFFFAOYSA-N 373.413 1.844 0 40 FDAB COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2 4673127 XDGVHKRILCSKCB-UHFFFAOYSA-N 369.468 1.492 0 40 FDAB Cc1nnc(COC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)o1 24956256 VASNUMCSTLEAIA-UHFFFAOYSA-N 353.400 1.812 0 40 FDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccsc1 7806093 VILZMZSZYTUJGH-UHFFFAOYSA-N 350.444 1.466 0 40 FDAB O=C(CNC(=O)c1cccs1)OCCCn1c(=O)[nH]c2ccccc21 7986933 ZNMIHYFMDXQPPI-UHFFFAOYSA-N 359.407 1.754 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1nnc(N)s1 8066664 OFMWKVFWJCZQPG-UHFFFAOYSA-N 365.484 1.926 0 40 FDAB CCc1nn(C)cc1NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 91156138 YMMAROKZFIRMIE-UHFFFAOYSA-N 358.446 1.880 0 40 FDAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8109931 ZQSCIOKUPLDFLX-UHFFFAOYSA-N 372.830 1.061 0 40 FDAB CN(Cc1ccccc1N1CCCCC1)Cc1cc(=O)n(C)c(=O)n1C 8728346 OXBWQKKLIFDRDW-UHFFFAOYSA-N 356.470 1.706 0 40 FDAB C[C@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)c1ccccc1 8747060 QZBGWPBNRNTYIL-KGLIPLIRSA-N 373.478 1.962 0 40 FDAB Cc1ccc(C(=O)NCCC(=O)NC[C@@](C)(O)c2ccsc2)c(O)c1 95400294 ZCGUSVCRHNITEW-GOSISDBHSA-N 362.451 1.906 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1 31547205 HMSSRASSUXUOEI-UHFFFAOYSA-N 360.370 1.911 0 40 FDAB CCN1CCC[C@@H](CN(C)C[C@H](C)CS(C)(=O)=O)[C@@H]1c1cnn(C)c1 504285834 FNEFESYGJOILSC-XYJFISCASA-N 370.563 1.806 0 40 FDAB CCOc1ccccc1-n1ccn(CC(=O)NC2CCCCC2)c(=O)c1=O 67256533 YXVUASIYSDKIHI-UHFFFAOYSA-N 371.437 1.847 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)CCCn1nnc2ccccc2c1=O 72403423 RRSZPFNQIIQTFT-UHFFFAOYSA-N 354.414 1.238 0 40 FDAB O=C(c1c[nH]c(=O)n(Cc2cccs2)c1=O)N1CCc2ccccc2C1 77099301 ZXJVJVOFRLIVKQ-UHFFFAOYSA-N 367.430 1.845 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)c(C)c1C 224195945 RHCSGCLLICVCGQ-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB COc1ccc(CN2C[C@H]3CN(C(=O)C4CCOCC4)CCN3C2=O)cc1 85436076 KVFQFRIVDXIMIB-QGZVFWFLSA-N 373.453 1.570 0 40 FDAB biogenic,in-vitro CCCNS(=O)(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 331132856 JTAFJQGYUBLKML-GFCCVEGCSA-N 362.293 1.862 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccsc2)C[C@]2(CNC(=O)C2)C1 96035989 CTQUFVQIBDPYQO-KRWDZBQOSA-N 350.488 1.490 0 40 FDAB COc1cc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc2c1OCO2 96230767 PPCIMECCHYPBDO-NSHDSACASA-N 366.329 1.873 0 40 FDAB COCCN(C[C@@H]1CC=CCC1)C(=O)C1CCC2(CC1)NC(=O)NC2=O 582700727 JJNOEMOBEXRBTP-TZGCNFNXSA-N 363.458 1.586 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1nccs1)C2 96050137 PLHHVXDHKHKBPC-IBGZPJMESA-N 370.478 1.983 0 40 FDAB COCCn1cc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c(=O)cc1C 583891205 WDYJDJXIZQHEJX-CYBMUJFWSA-N 360.414 1.673 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccccn1 96044419 NHIARFCCOQRFTM-KRWDZBQOSA-N 356.426 1.749 0 40 FDAB O=C(COCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 247744063 PTZLZSSNLOQUKS-SFHVURJKSA-N 362.474 1.448 0 40 FDAB CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248061739 ZBWNBYKUNFBPOB-VOMKJEOTSA-N 357.454 1.619 0 40 FDAB CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 585091965 VLLUHUKBODQFSY-HUUCEWRRSA-N 366.462 1.401 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cccnc2-c2cncc(C(=O)O)c2)C1 257291708 QIHIAOVNJXWPRP-GFCCVEGCSA-N 361.423 1.666 0 40 FDAB Cc1c(C(=O)N[C@]2(CO)COc3ccccc3C2)cnn1-c1ccccn1 529819852 CNBLTZDAJILHFZ-HXUWFJFHSA-N 364.405 1.672 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C[C@@H](Cc2ccccn2)C1 257298187 RKNVQNHSAWHQRK-MRXNPFEDSA-N 373.478 1.658 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@@H](Cc2cnc(N(C)C)cn2)CC1 257333148 YAIVNIUKJPCRAX-CQSZACIVSA-N 358.446 1.648 0 40 FDAB Cc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(C)c(N)c2)cc1N 255188701 KZUMPWATKXAELA-UHFFFAOYSA-N 355.441 1.135 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cscn2)CCN1CCc1ccccc1 257318567 VOMKJTXWWSOKSK-MRXNPFEDSA-N 358.467 1.258 0 40 FDAB COc1ccc(Cl)c(N2CCN(CCN3C(=O)N[C@@H](C)C3=O)CC2)c1 649649903 APMHESPJXCQBQM-LBPRGKRZSA-N 366.849 1.411 0 40 FDAB Cc1cccc(N2CCN(CC(=O)N3CCCn4cncc4C3)CC2)c1 72130856 VARVUTLBHSCZMG-UHFFFAOYSA-N 353.470 1.746 0 40 FDAB O=C1CCCc2nc(O)c(C(=O)N3CCNC(=O)[C@@H]3c3cccs3)cc21 608194826 CZYCBOODEZIPGR-HNNXBMFYSA-N 371.418 1.681 0 40 FDAB CCN1C[C@@H](C(=O)N(C)Cc2noc(C3CC3)n2)[C@H](c2cn(C)cn2)C1 1614995613 FMMJWBSGMZJSFG-ZIAGYGMSSA-N 358.446 1.374 0 40 FDAB CCc1c(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cnn1CCC(C)C 644445825 ZSJOKCFJSMWXHD-INIZCTEOSA-N 359.478 1.844 0 40 FDAB O=C(NC1CCN(c2cnsn2)CC1)c1cnn(-c2ccccc2)n1 575616586 QVLJVIFHRURCJW-UHFFFAOYSA-N 355.427 1.518 0 40 FDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 585276059 LOBOMDVENSMNMJ-FQEVSTJZSA-N 357.454 1.930 0 40 FDAB COc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)on1 585108763 ABSSZRCZGRFPKH-ZQIUZPCESA-N 359.382 1.667 0 40 FDAB Cc1cc(OCC2CCN(C(=O)Cn3cnc(C)cc3=O)CC2)ccn1 1775995127 CXWLMHOZSARIJQ-UHFFFAOYSA-N 356.426 1.573 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 53526408 MCTFOMBRHHRLGQ-UHFFFAOYSA-N 364.287 1.108 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 104088071 DNSPCGVCDOLRML-OXJKWZBOSA-N 368.437 1.974 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 5018564 JWSZKVRTBNPBCK-AWEZNQCLSA-N 370.471 1.391 0 40 FDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(OC)c(OC)c1)NC(=O)N2 11665642 MEIQPNOGMTWIHG-INIZCTEOSA-N 361.398 1.191 0 40 FDAB CCOC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 12086505 YYXWBJSAYLBZNX-YJYMSZOUSA-N 359.426 1.811 0 40 FDAB CCn1ncc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c1C 12183506 LTFFMRXQIXMSPT-UHFFFAOYSA-N 354.410 1.966 0 40 FDAB CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O 12852130 NZHBKYOUYLSFQG-CYBMUJFWSA-N 372.468 1.063 0 40 FDAB CCC(CC)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C 13008500 ZUPGPJLZIBERFJ-OAHLLOKOSA-N 356.492 1.822 0 40 FDAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1)c1ccccc1 13734172 LFTBXMWVUOUYTK-UHFFFAOYSA-N 366.421 1.689 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)CC2)c1C 15746640 MQFAJDVHISGRMJ-MHORFTMASA-N 358.438 1.830 0 40 FDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1CC2 19021969 BVVQYMRRZLVKDK-AEFFLSMTSA-N 352.438 1.821 0 40 FDAB Cc1cccc(C)c1CN1CCc2[nH]c(N3CCOCC3)nc(=O)c2CC1 19235738 NVOIPKRELDDGDN-UHFFFAOYSA-N 368.481 1.824 0 40 FDAB Cc1nc2cc(NC(=O)CN3CCN(C4CCCC4)C(=O)C3)ccc2n1C 19658676 RSLVOZDZUMIZIK-UHFFFAOYSA-N 369.469 1.907 0 40 FDAB Cn1cc(S(=O)(=O)N[C@@H](CCN2CCOCC2)c2ccccc2)cn1 19716042 JIEZLTACKSHOGH-KRWDZBQOSA-N 364.471 1.162 0 40 FDAB CCn1ncc(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)n1 529050616 JUZWXFCUCLFXIM-UHFFFAOYSA-N 359.415 1.569 0 40 FDAB Oc1cc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)nc(O)n1 1888897247 ZJTRVJBYODBCOO-RYUDHWBXSA-N 350.382 1.404 0 40 FDAB Oc1nc(N2CCN(c3nccn4nccc34)CC2)nc(C2CC2)c1F 1888897621 DVMUYRMGDCSBFX-UHFFFAOYSA-N 355.377 1.568 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)ncnc21 1888903857 AMGAJKWKRKMJDT-VXGBXAGGSA-N 367.388 1.106 0 40 FDAB c1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(N2CCCC2)n1 1889139818 AIMOCMYFPPQKGF-UHFFFAOYSA-N 350.430 1.446 0 40 FDAB C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](O)c1ccccc1F 1137285583 YEUIGYILVUGMMX-XZJROXQQSA-N 352.406 1.031 0 40 FDAB COc1nn(C)cc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 238912214 SHEUBPMQKMVVPY-UHFFFAOYSA-N 369.410 1.525 0 40 FDAB Cc1nocc1C(=O)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978383 TVTAWFSWOOINRK-PBHICJAKSA-N 355.394 1.877 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccnc(OCC3CC3)c2)CC1 253407546 WOSYMXIAEQUJNI-HNNXBMFYSA-N 374.485 1.541 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)C4CC(C)C4)C[C@H]3O2)cn1 1614929056 JKJLEQFBDANHIU-YMNHWESTSA-N 372.469 1.453 0 40 FDAB Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCF)C3)OCC2=O)s1 1614940790 NLCVVHTWUKSIHE-INIZCTEOSA-N 356.419 1.377 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 1565549172 NEAGPIIVJISYKW-INIZCTEOSA-N 366.483 1.319 0 40 FDAB Cc1csc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)c1 2055714714 MPVQIPXUPOHSCV-RWMBFGLXSA-N 358.485 1.083 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccccc2)CC1 2055773049 OYRBNVBNSXQOHZ-UHFFFAOYSA-N 356.426 1.277 0 40 FDAB COc1ncccc1C(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055732549 NOVBGQHOCGHIJF-CYBMUJFWSA-N 356.426 1.961 0 40 FDAB Cn1ccc(CN2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1=O 1775978936 WDOMTJXFHVSNRD-UHFFFAOYSA-N 351.410 1.758 0 40 FDAB O=c1ccc(-c2ccncc2)nn1C1CN(c2ncnc3ncccc23)C1 1775978393 RENZPGTUDVQEBW-UHFFFAOYSA-N 357.377 1.705 0 40 FDAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C)CN3CCOCC3)o2)cc1 40107623 FICSDLSGLDUFHD-HNNXBMFYSA-N 358.442 1.815 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 100186984 KBHHTOSFOTZBJL-HUUCEWRRSA-N 367.336 1.386 0 40 FDAB COc1cccc(C2=NO[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1OC 101257584 WSQIGKZKZBSAJU-QAPCUYQASA-N 366.373 1.992 0 40 FDAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@H]3C(N)=O)c12 32124201 XAPCJSOBXPBLRQ-AWEZNQCLSA-N 372.421 1.909 0 40 FDAB biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc3c(c2)OCCO3)on1 21786140 NSWNZHLZFYYTNV-LLVKDONJSA-N 364.379 1.030 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)COc1ccccc1 32982397 IDQLVTYVJUTLON-DZGCQCFKSA-N 350.415 1.274 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(N)=O)cc1 8937217 IOIBOCOIJIQTCF-CYBMUJFWSA-N 362.407 1.246 0 40 FDAB Cc1cc(C)n(NC(=O)CCn2ncc(Br)c2C)c(=O)c1 2787414 XTVFBFQJNQYPAH-UHFFFAOYSA-N 353.220 1.893 0 40 FDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1CN(C)C 104413204 MSWJUBWRZMQYSG-INIZCTEOSA-N 369.469 1.626 0 40 FDAB Cc1nn2c(SCC(=O)Nc3ccccc3Cl)nnc2[nH]c1=O 4251388 UUOBJZJJVPCCST-UHFFFAOYSA-N 350.791 1.505 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 4731175 XYPPDQHBNJURHU-MQXXQYSXSA-N 356.503 1.855 0 40 FDAB CCc1cc2c(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ncnc2s1 24059310 NVZHFHZSJWJKMH-LBPRGKRZSA-N 366.512 1.563 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCOc4ccccc43)ccc21 24051628 YUFKJXVDCBZNMS-CYBMUJFWSA-N 360.391 1.934 0 40 FDAB COc1ccc(/C=C/C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 12599890 DZGYPHCVQDBCCC-FZBZROKSSA-N 363.410 1.896 0 40 FDAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4nc(N)nn34)C(=O)N1CC2 1390441 JRVFUIXASQQHMX-GFCCVEGCSA-N 366.381 1.019 0 40 FDAB COc1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)cn1 62001772 LACIANKWOYUTJP-CQSZACIVSA-N 354.366 1.560 0 40 FDAB biogenic CSCC[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccccc1F 55971340 GUQYSJIJLXJADG-ZDUSSCGKSA-N 356.467 1.558 0 40 FDAB Cc1cc(C)n(CCCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)n1 25449086 SBBGGZUEIDBLHO-UHFFFAOYSA-N 369.425 1.372 0 40 FDAB COc1cc(Br)c(CN[C@@H]2CCS(=O)(=O)C2)cc1OC 34994443 MMUXDJTWZKDOIZ-SNVBAGLBSA-N 364.261 1.743 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 3247704 WNFINXGUIPKDQZ-CQSZACIVSA-N 372.446 1.969 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(F)c(F)c1 95357360 SKCISIZKYOUZED-UHFFFAOYSA-N 366.412 1.143 0 40 FDAB O=C(Nc1cnccn1)C1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1 48299986 ILRVBPKTWZXRER-OAHLLOKOSA-N 370.409 1.589 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 108535300 WTAHTWPHGVTWRF-IRXDYDNUSA-N 354.447 1.593 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc(F)cc1F 58190814 WIIQOKWVJBYHPW-UHFFFAOYSA-N 372.368 1.741 0 40 FDAB OC[C@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 115228341 FMZUHGYZWYNSOA-HMGBVJPOSA-N 358.390 1.937 0 40 FDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccccc1N1CCN(C)CC1 95408302 AKBWSZYMZCWJJM-CABCVRRESA-N 359.474 1.556 0 40 FDAB CCOC(=O)c1csc(NC(=O)CCn2nnc3ccccc3c2=O)n1 53164652 HACBASGNFBWFLI-UHFFFAOYSA-N 373.394 1.454 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc2n1 100137915 YAOSEVNRPXOGHN-ZIAGYGMSSA-N 371.441 1.460 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 24029797 SRGHOTYKBHLMJJ-GFCCVEGCSA-N 351.403 1.477 0 40 FDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3CC(=O)N(C)C)c2C)c1 95999878 JJRJOESBERPFOP-SFHVURJKSA-N 372.469 1.959 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCCCN2CCOCC2)c1C 13078498 CUFRNXOMZSIJCE-UHFFFAOYSA-N 356.444 1.002 0 40 FDAB CNC(=O)c1ccc(CNC2(C(=O)OC)CCC(C(=O)OC)CC2)cc1 95983927 ZNCGLZKAVCOBRR-UHFFFAOYSA-N 362.426 1.411 0 40 FDAB O=S(=O)(c1ccccc1F)N1CC(c2nc(-c3ncccn3)no2)C1 49482756 UVKKLLWWOVSJCI-UHFFFAOYSA-N 361.358 1.454 0 40 FDAB COC(=O)c1sc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OC)c1C 6084222 JCWRKABRZHHNKZ-IONNQARKSA-N 369.395 1.767 0 40 FDAB COCCNC(=O)NC(=O)COc1ncnc2sc3c(c12)CCC3 39562756 OUMJTLIISVYBBC-UHFFFAOYSA-N 350.400 1.031 0 40 FDAB O=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2 4248492 SRWNHANMALZBDC-UHFFFAOYSA-N 359.407 1.627 0 40 FDAB CCC(CO)(CO)NC[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 14201895 DKZASWLWBQQVQI-CQSZACIVSA-N 355.475 1.455 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2ccco2)CC1 14247307 DVHXWNZNHGZTRK-UHFFFAOYSA-N 364.452 1.791 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 6678914 COWHCKFQQDNNNO-UHFFFAOYSA-N 357.435 1.869 0 40 FDAB Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)N4CCOCC4)n3n2)n1 72402277 NXQYHQCCARGSRN-UHFFFAOYSA-N 369.429 1.108 0 40 FDAB COC(=O)c1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 6879490 BWIOATUPVRHLJR-UHFFFAOYSA-N 351.362 1.650 0 40 FDAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 7111913 MGOHXMZNJMNJLM-SNVBAGLBSA-N 358.427 1.511 0 40 FDAB CC(C)Cc1nnc(NC(=O)COc2ccc(-n3cnnn3)cc2)s1 27985797 LVGVCDVYVVBTTB-UHFFFAOYSA-N 359.415 1.730 0 40 FDAB CCOC(=O)C1CCN(CC(=O)NC(=O)NCCC2=CCCCC2)CC1 7812183 LBPRDJRUOYDJOJ-UHFFFAOYSA-N 365.474 1.978 0 40 FDAB COc1nc(C)ccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 95464317 RITYPHRBDYFFQT-SFHVURJKSA-N 354.366 1.706 0 40 FDAB CN1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C2(CCCCC2)C1 81598381 IEPCZYPITZQUCO-UHFFFAOYSA-N 359.470 1.982 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCc2ccccc2C1 17322008 NZSHURHGETYLQY-UHFFFAOYSA-N 350.426 1.841 0 40 FDAB CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 71831132 QYZHLTLJMDBDDD-CQSZACIVSA-N 370.475 1.922 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1n[nH]c2ccccc12 8754720 AFGWFDVISMJQHS-UHFFFAOYSA-N 358.423 1.743 0 40 FDAB CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 70708780 XRIFVLCWFMVTAI-UHFFFAOYSA-N 373.906 1.804 0 40 FDAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(F)c(-n4nnnc4C)c3)C2)n[nH]1 517334279 GIJYJQVHBXWQAH-LLVKDONJSA-N 371.380 1.558 0 40 FDAB COc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)c1 517851285 KSRJLCUHHMEYSD-HNNXBMFYSA-N 360.458 1.243 0 40 FDAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(Cc2cccs2)C1 306134316 NIVLVTSUDHXCKK-GOSISDBHSA-N 368.466 1.648 0 40 FDAB COc1ccc(C(=O)N2CCC(NC(=O)c3oc(C)cc3C)CC2)nn1 527584205 VPYMUJOCHKQNPE-UHFFFAOYSA-N 358.398 1.730 0 40 FDAB CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1 556497273 RTKQWOUAPURHQA-UHFFFAOYSA-N 367.365 1.479 0 40 FDAB COc1cc2c3cnn(CN4CCSCC4)c(=O)c3n(C)c2cc1OC 79482376 DZUWPEKDZHZHHK-UHFFFAOYSA-N 374.466 1.912 0 40 FDAB CCc1ccc([C@@H]2CN(C(=O)NCc3nc4ncccn4n3)CCO2)cc1 556857423 QCOGIOOHPIXOEP-INIZCTEOSA-N 366.425 1.970 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2ncc3ccccn23)cc1OC 31773169 SZEAOVHKYMUVAW-UHFFFAOYSA-N 361.423 1.873 0 40 FDAB O=C(Cc1csc(-n2cccc2)n1)N1CCN(c2ncccn2)CC1 30819437 NVEXLGGKEBXLRP-UHFFFAOYSA-N 354.439 1.615 0 40 FDAB CC(=O)CCCSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 71842987 HSXAQWJGCUTOAE-UHFFFAOYSA-N 372.454 1.921 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)c1ccncc1 77265232 GIASGVZVXDERQI-KFWWJZLASA-N 355.385 1.107 0 40 FDAB biogenic,in-vitro O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCN12)NCC1CC1 72327104 NBAFDDDBRKVOHC-UHFFFAOYSA-N 353.470 1.493 0 40 FDAB CC[C@@H](O)CN1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 89943376 OJLMNUJXMCWDFS-GFCCVEGCSA-N 366.405 1.873 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccnc2)CC1 40033946 QUNHUNQRKKAJDF-GOSISDBHSA-N 370.453 1.773 0 40 FDAB COc1cccc(CCNC(=O)CCn2nnc3ccccc3c2=O)c1 48300987 OVTIFGIVLXLGCT-UHFFFAOYSA-N 352.394 1.549 0 40 FDAB CN1CCC[C@@]2(CCN(C(=O)NCCc3nnnn3-c3ccccc3)C2)C1 577466996 XESMBMRRIHZELD-LJQANCHMSA-N 369.473 1.332 0 40 FDAB Cc1cc(C(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)O)nn1C 96296997 GKUHILTZORVBEY-SNVBAGLBSA-N 355.354 1.968 0 40 FDAB biogenic,in-vitro O=C(CNS(=O)(=O)C1CC1)N1CCC[C@H](Oc2ccccc2Cl)C1 585080155 MDONANZQZLTWQS-LBPRGKRZSA-N 372.874 1.792 0 40 FDAB CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CCO1 95472622 VNVCVRAIDGNXSK-STQMWFEESA-N 356.426 1.990 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2cnccn2)Oc2ccccc21 96111745 ZQPNUZVPUNFCOO-BBRMVZONSA-N 368.393 1.132 0 40 FDAB biogenic,in-vitro Cn1ccnc1C(=O)NCC[C@H]1CCOC12CN(Cc1ccsc1)C2 248166278 ZZFAINILPMXYCX-HNNXBMFYSA-N 360.483 1.893 0 40 FDAB CCN(C(=O)CN1CCO[C@@H](c2ccsc2)C1)[C@@H]1CCS(=O)(=O)C1 246823162 ZBZFJXRDGNDUMQ-HUUCEWRRSA-N 372.512 1.157 0 40 FDAB O=C(c1ncc[nH]1)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257209768 BRUYNDOAYNPSMI-PXNSSMCTSA-N 354.454 1.694 0 40 FDAB CC1(C)COC(=O)N1c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257215111 COSXGMHZSOVFAZ-LLVKDONJSA-N 354.432 1.351 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 257209902 BSIXOINZUXFCNA-AWEZNQCLSA-N 352.398 1.633 0 40 FDAB Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](C)Cn1ccnc1C 625175829 VLPJTHGHAYYBQD-SECBINFHSA-N 356.473 1.275 0 40 FDAB N[C@H](c1cn([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1)[C@H]1CCCO1 656435971 IEDKBTOXPBJILY-BRWVUGGUSA-N 359.405 1.464 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2ccncc2)n[nH]1 585094825 OFZGMSZHZCROIM-KRWDZBQOSA-N 352.442 1.990 0 40 FDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1CC1(O)CCN(c2ccc(F)cc2)CC1 585284409 RPQMZKBFJCPYMY-KFKAGJAMSA-N 363.477 1.296 0 40 FDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1nn(C)c2ccccc12 585094849 QDPAGTSZHLQLCG-CYBMUJFWSA-N 353.426 1.910 0 40 FDAB CC(=O)Nc1nc([C@@H]2CCCCN2CC(=O)Nc2ccn(C)n2)cs1 585271951 IQLYBZAOIONIBA-ZDUSSCGKSA-N 362.459 2.001 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095729 GJGGVKQYPKNYSH-KBRIMQKVSA-N 353.426 1.524 0 40 FDAB O=c1[nH]c2ccccc2cc1CNC[C@H]([C@H]1CCOC1)N1CCOCC1 74374123 KMOOPUAZVFYZRI-QFBILLFUSA-N 357.454 1.355 0 40 FDAB O=C(COc1ccccc1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 75476505 YIIUUBLZSOEBOJ-MRXNPFEDSA-N 360.435 1.676 0 40 FDAB Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)s1 56829234 YCUJNRNXUXKRAX-UHFFFAOYSA-N 364.471 1.146 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 5534242 AAPSSODDPLBZMD-UHFFFAOYSA-N 362.359 1.859 0 40 FDAB CSc1nc(C)c(CC(=O)NCc2noc(-c3ccccc3)n2)c(=O)[nH]1 12203075 VHNYDWCTPQLUPM-UHFFFAOYSA-N 371.422 1.709 0 40 FDAB CC(C)OCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233478 BJZPMPCTODFXFM-UHFFFAOYSA-N 357.414 1.335 0 40 FDAB COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCCC3)CC2)cc1 15936009 UARKQYZAHSGKPP-UHFFFAOYSA-N 359.470 1.902 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)[C@@H]3CCCO3)c3ncccc23)C1 19016488 KBUMDCCTRKVUCH-HOCLYGCPSA-N 371.441 1.062 0 40 FDAB N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19370466 RJPBHBGHCZEMNF-UGKGYDQZSA-N 363.461 1.904 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)Cn3cncn3)CC1)CC2=O 19562963 IEEOXNJBQCUTGG-UHFFFAOYSA-N 356.382 1.313 0 40 FDAB CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCC)CC3)C2=O)C1 19699988 HHMJOJDRXDKAPU-OAHLLOKOSA-N 364.490 1.574 0 40 FDAB C[C@]1(C(=O)N2CCOCC2)CCCN1C(=O)CCN1CCc2ccccc21 19746591 BNFMSPMGEDNYIX-OAQYLSRUSA-N 371.481 1.679 0 40 FDAB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(N)=O 5626556 HPABXKNLZDFXCM-VIFPVBQESA-N 354.409 1.580 0 40 FDAB Cc1cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc(C)n1 1888908390 BNUPPUFHYUTQBH-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCc2cccc(F)c2)c1=O 16176943 ZBRUMHJOPVCXJQ-UHFFFAOYSA-N 369.396 1.681 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@]12CCN(Cc1cccnc1)C2=O 1614937346 SRVPHDQGWUOWAF-BFUOFWGJSA-N 367.409 1.088 0 40 FDAB Cc1nc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)cs1 1565543125 YSRDZAMUAJKRTR-FZKQIMNGSA-N 372.450 1.504 0 40 FDAB O=C(NC1CC2(CCN(C(=O)Cn3ccccc3=O)C2)C1)c1ccncc1 1565546280 XRMUNCCQBFVEDV-UHFFFAOYSA-N 366.421 1.054 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1ccc(F)c(F)c1)CC2 2055730152 FXSBQZMAUKEYHW-NSHDSACASA-N 371.409 1.649 0 40 FDAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCOCC1 21156201 UNEXGRZDDSXLQM-KRWDZBQOSA-N 374.416 1.292 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 43980561 KNBDORXJZMWINF-UHFFFAOYSA-N 359.879 1.811 0 40 FDAB O=C(NCc1ccnc(N2CCCC2=O)c1)c1cnn(-c2ccccc2)n1 575617976 CJSVQAZZPWPYQM-UHFFFAOYSA-N 362.393 1.719 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncncc4F)C3)n2)n1 585606136 SNWCRMJKHLOIFN-UHFFFAOYSA-N 355.377 1.111 0 40 FDAB CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19523571 VCFMLOZEDKKRPH-RHSMWYFYSA-N 368.485 1.881 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(N2CCOCC2)nc1 40040545 FXYLEFGETOMTRP-XIRDDKMYSA-N 373.453 1.865 0 40 FDAB CC(C)N1C(=O)c2ccc(C(=O)NCC[C@@H]3CCCO3)cc2S1(=O)=O 40153343 VHKKKKKMKNCRML-ZDUSSCGKSA-N 366.439 1.538 0 40 FDAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C)CC1 20358278 FXZGWHJMPXRJQP-UHFFFAOYSA-N 360.414 1.149 0 40 FDAB O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@@]23C=C[C@H]1O3 100833599 YSWNWJUKLUOERO-BLTAXRJOSA-N 350.168 1.820 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 101017574 LNBHNJBXJRJWQB-CMPLNLGQSA-N 364.745 1.423 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1nc(-c2cccs2)oc1=O 32752694 PDCKMEQMXOFCHZ-SNVBAGLBSA-N 371.374 1.222 0 40 FDAB Cc1cccc(OCCNC(=O)CN(C)S(=O)(=O)c2cccs2)c1 21929425 NOXAXFXAQWWYIO-UHFFFAOYSA-N 368.480 1.872 0 40 FDAB C[C@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O 1344609 OIVXPENAYHLRAR-LBPRGKRZSA-N 370.388 1.517 0 40 FDAB CCCc1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1 1355934 XMSXDFHZZFJINM-UHFFFAOYSA-N 350.444 1.823 0 40 FDAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cnccn3)cc2c1 1366859 XMSKYQQMVLLIIR-UHFFFAOYSA-N 368.393 1.352 0 40 FDAB C[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104691692 FHVJNOOBLXSNLS-DVZHBHJUSA-N 368.437 1.436 0 40 FDAB CCOC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 23381670 QVXIPYQRQFENAN-SCLBCKFNSA-N 351.447 1.720 0 40 FDAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)N1CCNC1=O 7042152 KVVOTVLMRDMZMX-JTQLQIEISA-N 358.423 1.764 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1 9058090 SGBXOOKPWSLSCJ-UHFFFAOYSA-N 371.422 1.770 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1cccc(Br)c1 25047734 LSTDKFZYNHCNIS-UHFFFAOYSA-N 365.231 1.571 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCCC1 25197109 YNYNHSJMLZIBTH-UHFFFAOYSA-N 373.453 1.228 0 40 FDAB CCOC(=O)C(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)OCC 25989957 PBTBYJAGHIHINH-UHFFFAOYSA-N 362.386 1.237 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)NC2(CCOCC2)C1=O 57947370 SIRFEOYOOCAYPV-UHFFFAOYSA-N 351.790 1.688 0 40 FDAB O=C(c1ccc(O)nn1)N(CCO)Cc1cc(Br)ccc1F 58193253 RBLVMJLOYONAHX-UHFFFAOYSA-N 370.178 1.719 0 40 FDAB CS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 58224291 WWUQYFQAYTXOKK-NEPJUHHUSA-N 361.261 1.218 0 40 FDAB Cc1noc(C)c1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24776486 REFZBBFTBDAPOA-UHFFFAOYSA-N 353.386 1.230 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420623 MSDMPJYASGGKHD-QCUYGVNKSA-N 362.401 1.803 0 40 FDAB O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NC1CC1 20734877 DWYNSQFTHPODRY-UHFFFAOYSA-N 368.437 1.511 0 40 FDAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(F)c(F)c1 20798980 QWEVYJHVJUFYSC-CQSZACIVSA-N 352.337 1.436 0 40 FDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc2cccnc12 117904039 WUOYCWLBDZMKBU-AWEZNQCLSA-N 354.453 1.184 0 40 FDAB CN(C(=O)CSc1ncnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 3521644 UVNMNCMJRYXUFJ-LLVKDONJSA-N 351.453 1.367 0 40 FDAB O=C(NCCCC(=O)N1CCN(C(=O)C2CC2)CC1)NC1CCCCC1 12944876 OWKGSXSHDONWBF-UHFFFAOYSA-N 364.490 1.479 0 40 FDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1nnc2ccccn12 9217517 LSNQKTYHMXFPTR-HNNXBMFYSA-N 357.439 1.862 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 6064893 LBKATWMRITXIBP-ZDUSSCGKSA-N 368.455 1.073 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC[C@H]2CCCO2)cc1 5060805 RZADMGDQBWVUTB-OAHLLOKOSA-N 370.471 1.391 0 40 FDAB COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249183 SRNLKHPPARJJQD-CYBMUJFWSA-N 369.425 1.331 0 40 FDAB CCOC(=O)c1cnn(CCN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1N 95402225 HMBSKORZUSTPEJ-CYBMUJFWSA-N 374.445 1.782 0 40 FDAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CC2)NC(=O)N[C@H]1C 9499390 RGWSTVYQDAVCKF-LBPRGKRZSA-N 358.394 1.780 0 40 FDAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6760026 HWEGZDOWIQUHRM-ZDUSSCGKSA-N 374.466 1.760 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(OC)c2)c2ccccc2O1 7252787 OTEWDTQFUUJEAO-QGZVFWFLSA-N 355.394 1.647 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 7474046 NKBVXLWOXILRFS-INIZCTEOSA-N 374.418 1.657 0 40 FDAB CCn1ncc(S(=O)(=O)N2N=C(C)C[C@]2(O)C(F)(F)Cl)c1C 17073718 RGUQMYDZORARQS-JTQLQIEISA-N 356.782 1.502 0 40 FDAB COc1cccc(-c2nnn(CC(=O)NCCOc3cccc(C)c3)n2)c1 8777198 XZKKLFOATSYDCM-UHFFFAOYSA-N 367.409 1.852 0 40 FDAB Cn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(N)=O 8785299 MQNJQRKIZAGLIO-UHFFFAOYSA-N 353.835 1.617 0 40 FDAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 96905161 WGRLJDYRWRDKFQ-DLBZAZTESA-N 372.513 1.191 0 40 FDAB O=C(Cc1ccccc1Br)N1CCOC[C@@H]1c1ncon1 95981301 COXVNXMOTKZQPL-GFCCVEGCSA-N 352.188 1.975 0 40 FDAB O=C(NCCN1C(=O)CCC1=O)Nc1cccc(NC(=O)c2ccoc2)c1 95959534 PIVDHSYEHFIUOY-UHFFFAOYSA-N 370.365 1.802 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999170 RXUZYUMMEFNUFD-MRXNPFEDSA-N 374.466 1.267 0 40 FDAB CCOC(=O)COCCN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 95964796 IASLXXJOFKGTBK-KRWDZBQOSA-N 352.362 1.563 0 40 FDAB O=C(CO)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 89548224 KPEBMQZXKBQPAW-STQMWFEESA-N 356.344 1.472 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 75104696 FRFCJZPTGFBBRJ-VXGBXAGGSA-N 359.430 1.725 0 40 FDAB COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 76019142 MZOQBAKDMIRPGU-NWDGAFQWSA-N 361.366 1.754 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 28284035 RWESBPSAZFIAQO-WDEREUQCSA-N 373.456 1.576 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23CN(Cc2ncc[nH]2)CCO3)cn1 306141068 VKOMTCTZTJYASA-QFBILLFUSA-N 370.457 1.452 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc(-c2cccs2)on1 225798172 AAQVXTZJWCWIIC-UHFFFAOYSA-N 367.390 1.938 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306139905 UDQLMEUYINPIOV-KBMXLJTQSA-N 364.467 1.270 0 40 FDAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)Nc1n[nH]c(C(F)(F)F)n1 79480546 RGRLOHDZPHMUTR-UHFFFAOYSA-N 359.308 1.471 0 40 FDAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1ccc(F)cc1 38483398 CPRROUWGKKJCKF-UHFFFAOYSA-N 354.389 1.996 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-n3cccn3)nn2)c1 70641250 MXMNWFRVCLZMIU-UHFFFAOYSA-N 358.383 1.286 0 40 FDAB CCCNC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(F)cc3)c21 72347777 HJQCZWVKKUVXGC-UHFFFAOYSA-N 370.388 1.540 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 223276849 MQULMRRKIKVXDX-UHFFFAOYSA-N 356.350 1.890 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 229913839 ZZJUGYVSAAZSHH-DEXNDLTESA-N 360.410 1.282 0 40 FDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(F)c(F)c1 224275283 ZVICSNZJSVYGKN-UHFFFAOYSA-N 356.354 1.392 0 40 FDAB Cc1cnc(N2CC[C@@H]3CN(Cc4ccncc4)S(=O)(=O)[C@@H]3CC2)nc1 96263714 HQWLWYZKTJBXJT-IAGOWNOFSA-N 373.482 1.611 0 40 FDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1 96044406 IAAZGTJMMUYZJS-QGZVFWFLSA-N 356.426 1.749 0 40 FDAB Cn1cccc1C(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2 96078260 NOEPUXAIYQUSAR-UHFFFAOYSA-N 355.442 1.574 0 40 FDAB CN1CCN(C[C@@H]2CO[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)CC1 96228461 BLKRFBJFMNTCBA-YLJYHZDGSA-N 358.486 1.340 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(CC1CCOCC1)C2 96050170 DSZBNDNRPIPTOK-OAQYLSRUSA-N 371.481 1.753 0 40 FDAB COCCN(C)C(=O)c1ccc2ccc(N3CCN(C(C)=O)CC3)n2c1 96038407 SFFVFENASMYXIH-UHFFFAOYSA-N 358.442 1.326 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccccn1 96224018 NJXAMDBHRVTLIA-HNNXBMFYSA-N 356.382 1.234 0 40 FDAB COc1ncccc1C(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 96044948 CYVAQGYRSJZVFX-AWEZNQCLSA-N 356.426 1.990 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 248010437 DQIUJVJBXBSORA-AWEZNQCLSA-N 354.410 1.527 0 40 FDAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ccnn2C)C3)cs1 248022509 IMBTXHHXMKHIBY-AWEZNQCLSA-N 362.455 1.775 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)C)c1 257243784 IINRNVYZGRTLQY-YRXWBPOGSA-N 373.428 1.770 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)cc1 257284433 PCRQKRBLBGNHNT-KRWDZBQOSA-N 356.488 1.302 0 40 FDAB O=C(OCc1ccccc1)N1CCN2C[C@@H](Cc3cncnc3)OC[C@H]2C1 257218882 DESAEZBDFNLDOI-RTBURBONSA-N 368.437 1.741 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)N[C@H]2CCCN(C)C2)cn1 257299242 RPGDXFJTAQDWCD-HNNXBMFYSA-N 355.442 1.332 0 40 FDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257304981 SNYJJECNDRTSEY-CYBMUJFWSA-N 351.410 1.985 0 40 FDAB CCOc1ccc(CCC(=O)N2Cc3ccnn3[C@H](CC(=O)NC)C2)cc1 253386338 WJUXRQKVGKEVHX-QGZVFWFLSA-N 370.453 1.934 0 40 FDAB CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)CCn3ccnc3)C2)on1 257262358 LLCFATWOSGOQOR-IBGZPJMESA-N 373.457 1.769 0 40 FDAB O=C(CCn1cnc2ccccc21)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257261115 LFTROPWPCQSBBT-YVWKXTFCSA-N 356.470 1.920 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)CCO2)n1 257277400 NXUOBEDWRHUJQA-HNNXBMFYSA-N 354.414 1.602 0 40 FDAB c1ccc(CN2C[C@@H]3COCCN3C3(C2)CN(Cc2cnc[nH]2)C3)cc1 604381911 UZEFIQMWTDHYJS-LJQANCHMSA-N 353.470 1.181 0 40 FDAB biogenic,in-vitro NC(=O)c1cn(C2CCN(C(=O)N[C@H]3C[C@@]3(F)c3ccccc3)CC2)nn1 624245998 YKORJNVFBRMCTK-MAUKXSAKSA-N 372.404 1.361 0 40 FDAB N[C@H](c1cn(C[C@@H](O)COCc2ccccc2Cl)nn1)[C@@H]1CCCO1 641196535 FUXLAMHVHJHKOZ-XOKHGSTOSA-N 366.849 1.688 0 40 FDAB O=C(O)c1cn([C@H]2CCCN(C(=O)CCn3cc(Cl)cn3)C2)nn1 630196324 DBPWCBPOEVUGBM-NSHDSACASA-N 352.782 1.080 0 40 FDAB Cc1ccc(OC2CCN(S(=O)(=O)N(C)CCC(=O)O)CC2)cc1 645952061 GMLJLWRWOWMMSN-UHFFFAOYSA-N 356.444 1.490 0 40 FDAB CCCS(=O)(=O)NC1CCN([C@H](C(=O)O)c2ccc(F)cc2)CC1 652396400 XCGVATKTIGRNPQ-HNNXBMFYSA-N 358.435 1.745 0 40 FDAB COCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 604419519 HVYKRQUKYQDUCC-SFHVURJKSA-N 365.389 1.564 0 40 FDAB Cc1noc(CC(=O)N2CCOC[C@@H]2c2nccc(N3CCCCC3)n2)n1 585113161 RAUNDGFLVIYBJB-CQSZACIVSA-N 372.429 1.301 0 40 FDAB CN(CC(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1)Cc1ccncc1 585275260 BIMZYXGKPQENKX-WOJBJXKFSA-N 353.466 1.966 0 40 FDAB CC(C)CC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585285386 YCDUKKRBJBTGBL-SFHVURJKSA-N 352.406 1.724 0 40 FDAB O=C1[C@H](N2CCC(Cn3cnc4ccccc4c3=O)CC2)CCN1C1CC1 1776008048 UZLUVRISYOYMMW-LJQANCHMSA-N 366.465 1.872 0 40 FDAB CCCN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@H]1CC(=O)N(C)C1=O 635903218 IYXQFNBKTQGKON-JTQLQIEISA-N 359.304 1.416 0 40 FDAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 5459722 MUWOHFBZUKHCNS-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB COc1cc(N2CCOCC2)ccc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 5879755 JQNHBMMRERJNKO-FYXHJSOBSA-N 371.437 1.734 0 40 FDAB Cc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 12113713 IFGQVHVRDGULPC-UHFFFAOYSA-N 356.382 1.524 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)no2)c1 14236870 ALBZDQSVRXJPCG-UHFFFAOYSA-N 353.400 1.971 0 40 FDAB Cc1cnn(CC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)c1 19239922 BEISDZTVQSZZBE-OXJNMPFZSA-N 370.428 1.996 0 40 FDAB CCn1ccnc1CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 19578062 IGHKDMKIVDBGPM-UHFFFAOYSA-N 368.485 1.977 0 40 FDAB Cc1nc2cc(C(=O)N3CCC[C@@]3(C)C(=O)N3CCOCC3)ccc2[nH]1 19746786 ZUERXBSHOLEKFT-IBGZPJMESA-N 356.426 1.725 0 40 FDAB O=C(C[C@@H]1CCCO1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19748582 WJMHSCRSBREVCT-SFHVURJKSA-N 357.454 1.363 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c(CC(=O)O)c1 575985739 ZYKICZIMGQBTEJ-UHNFBRDESA-N 371.455 1.660 0 40 FDAB O=C(CSc1ncn[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 5736725 NDXUFTWXIQLPCN-LBPRGKRZSA-N 352.441 1.117 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888860380 PTGCJCKCZKTZPP-TXEJJXNPSA-N 360.439 1.059 0 40 FDAB CS(=O)(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888866240 HFAQESYIMAWNES-UHFFFAOYSA-N 350.444 1.657 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ccc4nncn4n3)CC2)n1 1889149050 MKYUMDJDRKDPPM-UHFFFAOYSA-N 365.445 1.150 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 22514586 OGGWJRCXBBOCKV-UHFFFAOYSA-N 361.423 1.549 0 40 FDAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(=O)n(C)n2)C[C@@H](C)O1 22973949 PPFAHWQDPDQUEJ-BETUJISGSA-N 370.409 1.282 0 40 FDAB CCOc1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OC 24060592 HUUKVCVGWOSNCH-UHFFFAOYSA-N 363.414 1.682 0 40 FDAB Cn1cncc1C(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037988796 IPSFUFDTFRSYEP-UHFFFAOYSA-N 367.453 1.569 0 40 FDAB C[C@@H]1CN(C(=O)c2csnn2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 1565551608 TXRRGZDFEJRDDT-WHCBVINPSA-N 364.471 1.464 0 40 FDAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc2c(c1)OCO2 4317024 DDDIARMEYINTHW-UHFFFAOYSA-N 373.434 1.786 0 40 FDAB COc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940738 HKRIXQSVLMITEW-NSHDSACASA-N 360.391 1.867 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055739240 OQJURHAIGORFFA-UHFFFAOYSA-N 369.462 1.701 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 40118859 KDPVVRNSOONWPL-HUUCEWRRSA-N 367.515 1.693 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCCn2c(=O)oc3ccccc32)cc1 30757624 MMQUFOFNVCPCQJ-UHFFFAOYSA-N 362.363 1.099 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)N1CCc2ccccc21 102226183 MMKSDIPEZSSWOL-GASCZTMLSA-N 370.405 1.294 0 40 FDAB O=C1N[C@H](C(=O)NCC(F)(F)F)CS[C@H]1Cc1ccccc1F 32754830 PHOWHZRWXJZQTI-QWRGUYRKSA-N 350.337 1.647 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nnc(N)s1)[C@H]1C[C@H]2CC[C@H]1C2 103417352 SWIXODXHZFNYIA-XFWSIPNHSA-N 355.489 1.863 0 40 FDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)c1 794252 HNLMABHCFJIVNA-CQSZACIVSA-N 367.405 1.851 0 40 FDAB COc1cc(NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCCCN)cc2ccccc12 1578629 NVFAVOGMBNAYET-DYVFJYSZSA-N 372.469 1.748 0 40 FDAB CCn1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)n1 2767134 ZVTWBURREXIJEG-UHFFFAOYSA-N 350.444 1.991 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccn1 12526695 JXFAVBPFIBTZRP-INIZCTEOSA-N 372.450 1.461 0 40 FDAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCc1ccccc1 6584614 VAHFZGVYJCDOBO-UHFFFAOYSA-N 360.479 1.850 0 40 FDAB Cc1ccc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1O 10981273 WFSUNVBXUPFIBJ-UHFFFAOYSA-N 364.361 1.952 0 40 FDAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(N)=O)CC2)cc1 8719307 HFUYAFGNSWIIEP-GFCCVEGCSA-N 361.398 1.550 0 40 FDAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC(C(=O)OC)CC2)c1 57993521 OXOWGEZQCKTSKV-INIZCTEOSA-N 365.426 1.488 0 40 FDAB Cc1cccc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)c1 57441051 UCEJXEGHQVCTHL-AWEZNQCLSA-N 353.378 1.173 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1C 57985832 NPBJXZRBFXIRGP-CQSZACIVSA-N 367.471 1.572 0 40 FDAB Cc1ccccc1OCCNC(=O)CNC1=NS(=O)(=O)c2ccccc21 58185989 ZIFJYFHSXOTRCY-UHFFFAOYSA-N 373.434 1.229 0 40 FDAB Cc1cc(C)cc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080516 OVUMWRMRJJLXOA-DLBZAZTESA-N 350.484 1.774 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2CCN(c3cnccn3)CC2)c1 27630713 CKEFHQUNUYYHSP-UHFFFAOYSA-N 361.471 1.049 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 101047749 MVVRECSWYQVSNV-XJIUQZFPSA-N 354.786 1.726 0 40 FDAB CC(C)OC(=O)CCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 52970127 KANRUTGLDMEPNL-UHFFFAOYSA-N 357.366 1.601 0 40 FDAB Cc1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20484980 MHMPMQMRQGZPJD-KRWDZBQOSA-N 360.435 1.838 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 100748322 UHLFESIZBNNHMZ-QMWCDGKBSA-N 365.385 1.466 0 40 FDAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(O)nn1 29803565 LHNGJVLCZTZIEN-HNNXBMFYSA-N 362.817 1.639 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCc2nc(C)cs2)cc1 29887135 HYHYZFUAVMGQOQ-BQYQJAHWSA-N 365.480 1.966 0 40 FDAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC(C)C)cc1O2 12902851 ZOOUHYOVLVWKDS-UHFFFAOYSA-N 374.437 1.936 0 40 FDAB biogenic O=C(NCc1cccnc1)C(F)(F)C(F)(F)C(=O)NCc1cccnc1 13208165 DOOOGOALZMVPRL-UHFFFAOYSA-N 370.306 1.680 0 40 FDAB C[C@H](NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1nncn1C 84668028 IKVHOZGURCTRMA-APPDUMDISA-N 366.466 1.869 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 13682192 UKTNKRDDRFAKJV-CQSZACIVSA-N 367.471 1.570 0 40 FDAB COC[C@@H](C)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 39561052 TVENUCVKBHCRES-RXMQYKEDSA-N 370.620 1.932 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)n3ccnc3)CC2)cc1 5266262 LEZQMVXCBJXQDY-UHFFFAOYSA-N 362.455 1.981 0 40 FDAB FC(F)(F)c1nnc2ccc(N3CCN(c4nccs4)CC3)nn12 14022161 YLNBUXVTBPOJRA-UHFFFAOYSA-N 355.349 1.926 0 40 FDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1F 19799058 HIQZNBSIKSILOQ-UHFFFAOYSA-N 365.434 1.517 0 40 FDAB NC(=O)[C@H]1CCCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 14187365 RHLRDTVQKFNWHX-MRXNPFEDSA-N 358.442 1.482 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)cc1 6581146 AXCQBCWQRGCFPE-FQEVSTJZSA-N 367.405 1.779 0 40 FDAB Cc1ccc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 6553881 NIYAJCNNDZCAHM-NSHDSACASA-N 353.469 1.609 0 40 FDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC1=CCCCC1 14517523 LYKAFFBPFOQGRX-UHFFFAOYSA-N 356.220 1.306 0 40 FDAB Cc1ccc(CNC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1 4971784 UTRJLJVRLSNJJJ-UHFFFAOYSA-N 364.409 1.737 0 40 FDAB CCc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1 67263275 VJVCSXOXJZXVPL-UHFFFAOYSA-N 363.425 1.582 0 40 FDAB C[C@@H](CNC(=O)Nc1nc(CS(C)(=O)=O)no1)N(C)c1ccccc1 95460795 ZEMNWLZVHGSIJH-NSHDSACASA-N 367.431 1.261 0 40 FDAB NC(=O)COc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 68205070 HUFXLJKAYINUGO-HNNXBMFYSA-N 353.378 1.086 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 8752601 DILCVSLPZFSNKP-PRHODGIISA-N 355.847 1.784 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 9836249 LKCISTTZIQSKJU-INIZCTEOSA-N 363.414 1.921 0 40 FDAB CCCc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 9803610 KIXYNCUUCNZXRT-UHFFFAOYSA-N 355.398 1.025 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCC(c3ccccc3)CC2)CC1 73686224 YKAOWMNTBPBWQD-UHFFFAOYSA-N 358.486 1.786 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)C3CCC(c4ccccc4)CC3)C2)nn1 95997851 BLYAANCZSNKQRU-UHFFFAOYSA-N 353.426 1.734 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 21973079 UOITYBUJVNVEQU-UHFFFAOYSA-N 374.441 1.560 0 40 FDAB CCCCNC(=O)N1CC[C@@]2(CCc3nc4c(c(=O)n32)CN(C)CC4)C1 306143961 YRYWORHQUPQMOA-IBGZPJMESA-N 359.474 1.088 0 40 FDAB CCn1c(=O)c(N2CCC[C@](O)(Cc3nncn3C)C2)nc2ccccc21 1553745362 OEXZWTFWRPBXKO-IBGZPJMESA-N 368.441 1.119 0 40 FDAB Cn1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 35648631 CPQKJFZKVCKIIW-LKJZUNMESA-N 354.409 1.544 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cccc2)CC1 70636912 CCTQQDXGDTZYGQ-RTBURBONSA-N 367.449 1.927 0 40 FDAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1nc2c(s1)CCCC2 70655886 LPNFDOLAMPWDJT-UHFFFAOYSA-N 356.411 1.403 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 72264843 VZPVMODHVAESTD-UHFFFAOYSA-N 350.396 1.789 0 40 FDAB CN(C)c1cccc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c1 238836203 GTNQGPGQCSXBHC-CALCHBBNSA-N 353.422 1.528 0 40 FDAB COCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223488690 PLCFJYUWLDAFFI-UHFFFAOYSA-N 356.429 1.105 0 40 FDAB COc1ccc(CCNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223314456 CKFAJZBKGMCMBB-UHFFFAOYSA-N 362.407 1.959 0 40 FDAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)Cc1ccccc1 224304292 ABBHONNGILDQTC-UHFFFAOYSA-N 362.455 1.872 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(C2CCC2)CC1 179565967 YYBDISUAYVWEQU-UHFFFAOYSA-N 352.456 1.707 0 40 FDAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNCc2cccc(Cl)c2)CC1 96482536 PGGIUCVLNLMDKS-YDZRNGNQSA-N 368.905 1.651 0 40 FDAB biogenic,in-vitro Cc1nc(CN2CCO[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]3C2)cs1 96108145 TWDXFGGSRJBTRL-XJKSGUPXSA-N 359.455 1.215 0 40 FDAB CSc1ccc(N2C[C@H](C(=O)N3CC[C@@H](c4nc[nH]n4)C3)CC2=O)cc1 583689287 GAFMOSGWVUCYOW-CHWSQXEVSA-N 371.466 1.896 0 40 FDAB O=C(Nc1nccs1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124162 PCQSTEAECKVZNT-UHFFFAOYSA-N 356.415 1.369 0 40 FDAB COc1ccccc1CC(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 257310603 UFVVXLIENDOUBV-OAHLLOKOSA-N 356.426 1.613 0 40 FDAB CN1CCC(C(=O)N2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)CC1 257223592 DYASBKWORFRAFD-OAHLLOKOSA-N 368.485 1.990 0 40 FDAB O=C(O)CS(=O)(=O)CCN1CCC[C@@]2(CCCc3ccccc32)C1 262257807 FPXOXUHZTZQXQR-SFHVURJKSA-N 351.468 1.856 0 40 FDAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2cc(C(C)C)nn2C)C3)n[nH]1 1775958084 BYCVDBVRZSQQHF-ZDUSSCGKSA-N 357.462 1.141 0 40 FDAB O=C1NC[C@H](O)CC12CN(c1nc(-c3cc(F)cc(F)c3)ns1)C2 1120959285 HHMUHUMBZINVHN-LLVKDONJSA-N 352.366 1.171 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 644034537 SPEPWAYBTBZUJG-LJQANCHMSA-N 356.426 1.035 0 40 FDAB c1cc(N2CCOCC2)ncc1-c1noc([C@@H]2CCc3nn[nH]c3C2)n1 663160598 ZAWZWVBRUPREKT-LLVKDONJSA-N 353.386 1.359 0 40 FDAB O=C(NCc1nc2ccccc2[nH]1)C1CN(c2cc(-n3ccnc3)ncn2)C1 390828652 SNWLDDNSOUDQBG-UHFFFAOYSA-N 374.408 1.291 0 40 FDAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831043 PGQYOKSPYUONIK-GDXASINISA-N 370.438 1.293 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@H](COCc3cccnc3)CCN2C)C1 575402984 HGLBPQXFCUZUJG-MRXNPFEDSA-N 367.515 1.733 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575420923 FRQULIVXVLIEHB-HZPDHXFCSA-N 373.496 1.171 0 40 FDAB CO[C@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1Cc1ccc(F)cc1 585270815 BLLPPFJRYXZZLQ-AEFFLSMTSA-N 350.434 1.564 0 40 FDAB COc1ncc(CN2CCOC[C@](O)(COc3cccc(C)c3)C2)cn1 585269250 MVCVDUFTCGTOSF-IBGZPJMESA-N 359.426 1.436 0 40 FDAB O=C(NCCc1ccc2c(c1)CCO2)NC1CCN(C[C@@H]2CCOC2)CC1 77665586 AZZISFQXMXDLLR-KRWDZBQOSA-N 373.497 1.964 0 40 FDAB COCCN(CC(F)F)C(=O)CNC(=O)c1c(F)cccc1Cl 78796790 LMVIEZFOOSKPMI-UHFFFAOYSA-N 352.740 1.949 0 40 FDAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccc2c1C(=O)N(C)C2 12142035 NCTZXSDEFXFJCO-LBPRGKRZSA-N 365.389 1.999 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)c4cccs4)C3)c2n1 12337282 LDYMVACRWNGRFJ-NSHDSACASA-N 358.427 1.849 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268076 NWZQWNWMXWZZBP-QWHCGFSZSA-N 355.398 1.382 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 14257738 RCSKEOZFEKWCMW-UHFFFAOYSA-N 353.400 1.600 0 40 FDAB COc1cc2c(cc1CN1CCc3nc(C)[nH]c(=O)c3CC1)OCCO2 19286427 YDMIMLUZYXQFSX-UHFFFAOYSA-N 357.410 1.459 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CC[C@H]3NCCCC[C@H]32)cc1 19711742 QPOZRCHPJVRUTF-IAGOWNOFSA-N 363.483 1.719 0 40 FDAB CCN1CCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 19719392 OOQLGFSXKXFUNI-KRWDZBQOSA-N 374.510 1.709 0 40 FDAB O=C([C@H]1CN(c2ncc(Br)cn2)CCO1)N1CCCCC1 1888834367 UIQZDNRSLFDRFG-GFCCVEGCSA-N 355.236 1.457 0 40 FDAB Cn1cc(-c2nnn3c2CO[C@@H](CNC(=O)/C=C/c2cccs2)C3)cn1 1565550253 WBFFOKKRDUKAPI-IHVVCDCBSA-N 370.438 1.469 0 40 FDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2451534 SSJMJXKYSAWAAL-LBPRGKRZSA-N 367.254 1.871 0 40 FDAB COc1cccc(CN2CCCn3nnc(COCC(=O)N(C)C)c3C2)c1 2055718073 DZEZTIJCNKMJNW-UHFFFAOYSA-N 373.457 1.297 0 40 FDAB Cc1csc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)c1 2055795753 QMVQFBFPTMMSQF-SFHVURJKSA-N 373.482 1.974 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc3nsnc3c2)CC1)c1ccco1 38671193 KGCBLMZGYQXUNC-UHFFFAOYSA-N 356.407 1.925 0 40 FDAB O=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1cccc2ncccc12 40284549 NLLLEYYORTVEOO-UHFFFAOYSA-N 351.366 1.939 0 40 FDAB CCCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100641860 VSTWONBZLQHALN-ZIIUWJBSSA-N 360.439 1.625 0 40 FDAB CC(C)C[C@@H](C(=O)NCC1(O)CCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101128874 QANUXWVKCLXFFD-XHSDSOJGSA-N 362.470 1.774 0 40 FDAB Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2cc(O)c(Cl)cc12 20621705 NNTCCBPTHMKHFN-UHFFFAOYSA-N 350.802 1.777 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)COc1cc(C)cc(C)c1 20792369 ARYWBZGAJIPHBJ-UHFFFAOYSA-N 351.399 1.685 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCc2cccnc2)c2ccccc21 101444780 CUWKSYBINRSCCW-INIZCTEOSA-N 352.394 1.310 0 40 FDAB C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(NS(C)(=O)=O)CC1 32865295 XQTXUTJODUOROH-KBPBESRZSA-N 365.499 1.366 0 40 FDAB Cc1nc2ccccc2n(CC(=O)N2CCN(c3ccccn3)CC2)c1=O 32974599 WFRUBSGSOWFYMI-UHFFFAOYSA-N 363.421 1.449 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)O)c3N)cc2)cc1 33435971 KGANRDKUEUKJAY-UHFFFAOYSA-N 373.394 1.657 0 40 FDAB O=C(COC(=O)c1cncc(Br)c1)NC(=O)c1ccco1 8922126 BMWGCKRMLANJAP-UHFFFAOYSA-N 353.128 1.551 0 40 FDAB Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCC1 1325556 HBQRYBMEJWZHRZ-UHFFFAOYSA-N 350.473 1.612 0 40 FDAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325713 FSGOMNJQDGMHSH-WBMJQRKESA-N 372.512 1.984 0 40 FDAB O=C(Cc1c(F)cccc1F)NS(=O)(=O)N1CCc2ccccc21 79075426 DRGUEXDSOZXMHX-UHFFFAOYSA-N 352.362 1.931 0 40 FDAB Cc1noc(C)c1CN1CCN(Cn2nc3c(cc2=O)CCCCC3)CC1 79493396 HHBKPSXANYPGSN-UHFFFAOYSA-N 371.485 1.892 0 40 FDAB O=C1C[C@H](C(=O)N2CCC(N3CCCC3=O)CC2)CN1Cc1ccccc1 104623204 WIAQILLUGGQYBF-KRWDZBQOSA-N 369.465 1.649 0 40 FDAB CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 102334843 UHCVYUMZZUAAFU-BJDJZHNGSA-N 352.412 1.616 0 40 FDAB CN1[C@H]2CC[C@H]1CC(OC(=O)/C=C/C(=O)OC1C[C@@H]3CC[C@H](C1)N3C)C2 104106731 HPYPBYFMSXFPSQ-XSFOCTPJSA-N 362.470 1.879 0 40 FDAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2cccc(F)c2)n2nnnc2N1 10232472 ONNUIBHJPRAPDT-CQSZACIVSA-N 369.312 1.730 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c1C 24924626 ZNOVFBQWIKMJKA-HNNXBMFYSA-N 365.474 1.895 0 40 FDAB Cn1cnc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1Cl 26528242 RRIMUVUVGQBZRR-UHFFFAOYSA-N 356.835 1.711 0 40 FDAB CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(Br)ccc1F 58208871 HCYCDXRUPBUTHA-UHFFFAOYSA-N 367.240 1.687 0 40 FDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 3303864 YMIUOLGYNJMBOS-UHFFFAOYSA-N 373.365 1.923 0 40 FDAB COC(=O)C1CCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 3312690 XAOQPOHYZMIPFN-MRXNPFEDSA-N 372.421 1.719 0 40 FDAB O=C(CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)NCCc1ccccc1 106637686 BECMKMJCEOGGMO-SFHVURJKSA-N 371.481 1.643 0 40 FDAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)OCN1C(=O)c2ccccc2C1=O 2471447 XYVKLPHQEACESA-DOMZBBRYSA-N 373.409 1.804 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 13000255 QYTVFCCYTKKHHN-KDOFPFPSSA-N 361.467 1.846 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1 48962705 YQNJQLSABOIPGH-UHFFFAOYSA-N 351.428 1.743 0 40 FDAB O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2 48915731 PBKGSJHOVUGFPU-UHFFFAOYSA-N 351.406 1.519 0 40 FDAB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 4314278 RSMGCVZLVPLASR-AWEZNQCLSA-N 373.457 1.601 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)c1ccc(Br)cc1 4576486 YPOCCJIPCGNBMY-UHFFFAOYSA-N 363.171 1.069 0 40 FDAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1C 67263076 CHGQVSSWJSIOJJ-UHFFFAOYSA-N 363.425 1.637 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306127310 FUYAWZWYZXGDLE-OAHLLOKOSA-N 366.483 1.912 0 40 FDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 9575918 ALJSAOXRNQZCFE-UHFFFAOYSA-N 368.415 1.464 0 40 FDAB COc1ccc(CNC(=O)Cn2ncc3ccccc3c2=O)cc1OC 8240796 UBAILXIGYWWHEL-UHFFFAOYSA-N 353.378 1.730 0 40 FDAB Cc1ccc(F)c(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 9677870 MCDJQEAHFRWRRH-UHFFFAOYSA-N 374.416 1.934 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 8729233 RPAGLWQUAGLBQN-INIZCTEOSA-N 353.378 1.797 0 40 FDAB Cc1ccc(-n2nc(C(=O)NCCOCCN(C)C)c3c2CCC3)cc1 95465031 BCZBCBFJTJZLAR-UHFFFAOYSA-N 356.470 1.977 0 40 FDAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CC 95994929 LJEMFLSJIDXVJB-STQMWFEESA-N 370.471 1.876 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306128717 HIYQVMRRYHAVFJ-UKRRQHHQSA-N 358.467 1.496 0 40 FDAB C[C@H](c1cccc(O)c1)N(C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 69504629 YPSDTMKUCWBABU-CQSZACIVSA-N 362.474 1.647 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CC(c2nc(C3CC3)no2)C1 70637079 PCBLHRWJMSVGQJ-UHFFFAOYSA-N 369.424 1.583 0 40 FDAB O=C1C[C@H](N2CCN(CCO)CC2)C(=O)N1c1cccc(Cl)c1Cl 36634093 ZRJDCZLGVKURMA-ZDUSSCGKSA-N 372.252 1.235 0 40 FDAB Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)c1 32508637 IPMYUXHNRNMXQE-UONOGXRCSA-N 367.496 1.442 0 40 FDAB C[C@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 71614559 CCMCYVCBDITGSI-YUTCNCBUSA-N 366.414 1.073 0 40 FDAB COc1ccc(-c2noc(CNS(=O)(=O)c3c(C)noc3C)n2)cc1 41153897 GLDAODSEUOOJKQ-UHFFFAOYSA-N 364.383 1.829 0 40 FDAB COC(=O)CNC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40288382 WNKLZUXDBSROAZ-UHFFFAOYSA-N 351.742 1.775 0 40 FDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc2c(c1)OCO2 224359878 DSIQIQANWFDDBQ-UHFFFAOYSA-N 371.397 1.360 0 40 FDAB O=C(NCc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44848484 FZGZKUMQFBEOTE-UHFFFAOYSA-N 374.462 1.779 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(c2ccccn2)C1 130954625 BDXCJBNAHNKEFM-CQSZACIVSA-N 352.394 1.775 0 40 FDAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 41058334 AOCIXEIQGCVGEC-OAHLLOKOSA-N 356.419 1.228 0 40 FDAB Cc1cc(C)nc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 292598113 BUUFJEKCTAZIRX-UHFFFAOYSA-N 350.430 1.895 0 40 FDAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 96036908 KEXJZGIQUCTFLU-CQSZACIVSA-N 363.462 1.123 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1cccn1C)CC2 96059490 XWOVHPFGMCCFPG-UHFFFAOYSA-N 366.425 1.146 0 40 FDAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cnn(C)c1)CC2 96260547 BMBPYEYLIBQYOF-UHFFFAOYSA-N 368.485 1.597 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1cccnc1)C2 96077317 IMVNJRQQVCEPOI-SFHVURJKSA-N 356.451 1.987 0 40 FDAB COCc1cnc2n1CCN(S(=O)(=O)c1c(C)nn(C)c1C)[C@H]2C 96109582 UVJAYZQOZPGWNO-LBPRGKRZSA-N 353.448 1.145 0 40 FDAB O=C(NCCN1CCCC1)c1nc2c(o1)CN(C(=O)c1cccc(F)c1)C2 96147312 VROJMIYOQFTCBT-UHFFFAOYSA-N 372.400 1.795 0 40 FDAB COc1cn(CC(=O)NC(C)C)c(CN2CCc3ccccc3C2)cc1=O 95474952 IBHVUJWAJHIPAL-UHFFFAOYSA-N 369.465 1.940 0 40 FDAB CC(=O)N1C[C@@H](NS(=O)(=O)c2cccnc2)CC[C@H]1C(F)(F)F 583616451 VQQCZHHOZAHWMJ-JQWIXIFHSA-N 351.350 1.302 0 40 FDAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1nccs1)C2 248047504 QFERJQWQIGXPEC-CYBMUJFWSA-N 361.471 1.288 0 40 FDAB Cc1nccc(N2CCC[C@H]2c2ccnc3c(C(=O)N(C)C)cnn23)n1 257267213 MGKHLCQRGKEILN-AWEZNQCLSA-N 351.414 1.871 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cccc(C)c3)C2)CC1 257285669 PIEULWWYDQCNNU-FQEVSTJZSA-N 359.470 1.173 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cnc4ncccn34)n2)C1 257287424 PPXMNMSUUXRUPL-ZDUSSCGKSA-N 372.454 1.400 0 40 FDAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)[C@H]4CCCCN4)CCO3)n2)[nH]n1 257206518 BDVSWBWCOXXSHL-HZPDHXFCSA-N 370.457 1.899 0 40 FDAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](COc2ccccn2)C1 253489631 FUMZXSPNMMCCPF-OAHLLOKOSA-N 350.444 1.149 0 40 FDAB Cn1cc(CN2CC[C@H](NCc3cccc4[nH]ccc34)C2)c(C(N)=O)n1 1775961545 IDPSYISWYTXZRN-HNNXBMFYSA-N 352.442 1.364 0 40 FDAB COc1nn(C)cc1C(=O)N1CC(Oc2nc3c(OC)cccc3s2)C1 90594259 XTKFHXDXYFHQJY-UHFFFAOYSA-N 374.422 1.950 0 40 FDAB Cc1ccc(-n2cc(C(=O)N3CCN(C)C4(CCOCC4)CC3)nn2)cc1 1615589942 WUYCBZJHDAZNCL-UHFFFAOYSA-N 369.469 1.903 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(Cc2c(F)cccc2OC(F)(F)F)C1 643747766 OHNYTFUBAGSBNJ-AWEZNQCLSA-N 350.312 1.927 0 40 FDAB COc1cccc(C2=CCN(C(=O)[C@H]3Cn4c(C)nnc4CN3C)C2)c1 644412178 OQKWETLKBNNYOH-QGZVFWFLSA-N 353.426 1.335 0 40 FDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(S(C)(=O)=O)c1 650973165 ASWDMFCPUKEJRU-MRXNPFEDSA-N 366.483 1.888 0 40 FDAB CC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 679993750 IUQCEOFSLWRNQC-ZDUSSCGKSA-N 355.412 1.217 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@](O)(c1ccoc1)c1ccco1 390826264 GRXDSBZKAPGYHN-IBGZPJMESA-N 368.345 1.833 0 40 FDAB CCS(=O)(=O)NCc1cn(Cc2cccc(Br)c2)nn1 640841803 NOJJPFYJJTUIEM-UHFFFAOYSA-N 359.249 1.528 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585096298 GOAYLMZOIHGPPW-IPYPFGDCSA-N 353.426 1.767 0 40 FDAB O=C(/C=C/c1cnc[nH]1)N1CCC[C@H]1c1nccnc1Nc1ncccn1 585290447 BIFFQMRBDPWMCS-NNTXTVRGSA-N 362.397 2.110 0 40 FDAB Cc1ccccc1CN1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 585103273 OCAASEMHBGCICX-KRWDZBQOSA-N 373.478 1.853 0 40 FDAB Cn1nccc1/C=C/C(=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)CC1 585290469 WOCSCOLFXGNFHW-SCHHVTGUSA-N 373.457 1.106 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3cccn3C)CC(F)(F)C2)C1=O 585093124 DCPPUHFYVIRTPI-MRXNPFEDSA-N 355.385 1.371 0 40 FDAB COc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OCC(C)C 33311564 GVENLGQWWBLEQQ-OVCLIPMQSA-N 373.434 1.411 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccc4c(c3)OCO4)[C@H]3CO[C@@H]2O3)n1 952844723 HFCNVPCTVGSMFG-IEWDOMPSSA-N 373.409 1.044 0 40 FDAB biogenic,in-vitro CCOCCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58264954 HTOAPYHHFYEHBH-JKSUJKDBSA-N 357.410 1.413 0 40 FDAB CCN1CCCC[C@H]1CNC(=O)N1CCN(C(=O)c2cc(C)no2)CC1 95957630 YSGIABCTYCDRJY-HNNXBMFYSA-N 363.462 1.325 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 301100275 XTZKAAPXDSHKFT-AWEZNQCLSA-N 352.456 1.165 0 40 FDAB C[S@](=O)c1nncn1Cc1cc2c(cc1Br)OCCO2 103922269 KWRAMFOIWDHYCE-HXUWFJFHSA-N 358.217 1.598 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(SC)cc1 1440278 FMQSMLOXIIOWID-KRXQYRFLSA-N 366.435 1.794 0 40 FDAB COc1cccc(OC)c1C(=O)N1C[C@H]2CCc3c(nc(C)[nH]c3=O)[C@H]2C1 12120009 DKXKNPDTNBRJFX-OCCSQVGLSA-N 369.421 1.898 0 40 FDAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)n1 12337760 IHACGCGLGQGWEJ-MRXNPFEDSA-N 368.437 1.807 0 40 FDAB Cc1cnc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 14251306 GLDMOYJIPLWHSH-SECBINFHSA-N 350.425 1.517 0 40 FDAB O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4 19292530 KAHRDKXNHIKLLC-UHFFFAOYSA-N 357.366 1.610 0 40 FDAB COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19569706 MHEZESNNMODDBS-HNNXBMFYSA-N 352.438 1.690 0 40 FDAB Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2nnc3n2CCNC3)C1 19711024 MXRIBNGKWPPQCJ-MRXNPFEDSA-N 369.469 1.865 0 40 FDAB Cn1cc2c(n1)C[C@H]1CC[C@@H]2N1C(=O)CNC(=O)OCc1ccccc1 19717995 SRNHSENVZXHOLL-PBHICJAKSA-N 354.410 1.935 0 40 FDAB C[C@@H](CS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(C)CC1 19991370 FCYPFFDMTPCXKN-HNNXBMFYSA-N 365.499 1.223 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(OC)c1 5403306 MQTXTQPMBNEBFL-NVNXTCNLSA-N 350.396 1.614 0 40 FDAB Cn1nnnc1SCCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 11620918 AUYYDWMWACRVCM-UHFFFAOYSA-N 364.475 1.487 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1C 1888890204 GRIVDUPACUWSRV-UHFFFAOYSA-N 350.430 1.964 0 40 FDAB O=C(C1CCCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231286 SUNARHVIRNNKFL-UHFFFAOYSA-N 354.458 1.887 0 40 FDAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cn1 24137477 JERYWLDGPRWQNV-UHFFFAOYSA-N 353.422 1.983 0 40 FDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(Nc2ncccn2)C1 238818410 CAKAJQFSJYXJFQ-UHFFFAOYSA-N 356.411 1.147 0 40 FDAB CCn1nnc2c1[C@H](COCC1CC1)CN(C(=O)CCc1cncnc1)C2 1614934912 XBEXFDQHHKYWOZ-INIZCTEOSA-N 370.457 1.573 0 40 FDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)Cc2nc(C)no2)n1 2055756477 PQKXTRQHSKDHTP-GJZGRUSLSA-N 355.398 1.026 0 40 FDAB COCCNC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 206680836 ZSEGVZKZVMKCMO-UHFFFAOYSA-N 352.437 1.419 0 40 FDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cccnc1 49512295 MAMMLYIKRPPDSH-UHFFFAOYSA-N 371.416 1.098 0 40 FDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 20101098 VSOBBUPITBKBKS-QMMMGPOBSA-N 359.333 1.515 0 40 FDAB CCCn1ncc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1C1CC1 92771631 BGMMEQQFUNRQOF-CYBMUJFWSA-N 354.476 1.324 0 40 FDAB COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(C)=O 795946 KPONEMQHHUMJCC-CQSZACIVSA-N 351.384 1.622 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 814561 YLNGQDBBXZTQLR-LBPRGKRZSA-N 362.407 1.399 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)n1 999460 ZCQOKTUHTJWITP-PSJXJDHFSA-N 352.412 1.934 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 2927680 BXLMNVKJUCONPG-ZIAGYGMSSA-N 365.389 1.402 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CN(Cc2ccccc2)CCO1 23762746 FUPPCKHOABILAV-INIZCTEOSA-N 372.446 1.732 0 40 FDAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 6861493 VURTYQUZMXNJDE-UHFFFAOYSA-N 365.440 1.338 0 40 FDAB CC(=O)N1c2ccccc2[C@]23CCN4CC5=CCO[C@H](O)[C@@H]([C@@H]5C[C@H]42)[C@H]13 102942870 QSDMAJZSSDNJPO-YUXYBWSUSA-N 352.434 1.659 0 40 FDAB COC(=O)[C@@H](C(=O)C(=O)Nc1cccc(C)c1)c1nc(N)s[s+]1 8653662 XZTWGMCHNSSQNF-VIFPVBQESA-O 352.417 1.841 0 40 FDAB COC(=O)[C@H](C(=O)C(=O)Nc1cccc(C)c1)c1nc(N)s[s+]1 8653663 XZTWGMCHNSSQNF-SECBINFHSA-O 352.417 1.841 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 25380736 YIZQRJQFQBUFQL-CYBMUJFWSA-N 357.410 1.278 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)C1 3270558 WGENRABAUHFTQI-CHWSQXEVSA-N 358.394 1.330 0 40 FDAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(S(C)(=O)=O)CC1 26352173 TYDYIRAAAVDVQE-UHFFFAOYSA-N 365.480 1.836 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 21582971 OPDNTUGIWWQKTC-UHFFFAOYSA-N 364.877 1.483 0 40 FDAB NC(=O)c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 58157764 BRAYRHKJIFUIPB-UHFFFAOYSA-N 351.332 1.921 0 40 FDAB COc1ccc(CC[C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 58202517 INAWVLWFJGHYGU-GFCCVEGCSA-N 359.426 1.450 0 40 FDAB CCC[C@](C)(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)OC 45097148 WDUCQVGYVDBSGC-INIZCTEOSA-N 354.428 1.581 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3319970 MHVPECVZYUVMLF-UHFFFAOYSA-N 361.423 1.973 0 40 FDAB C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](NS(C)(=O)=O)C1 48342258 GOPPFMVSKMJHFJ-OCCSQVGLSA-N 371.528 1.035 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 46034963 KNNUFBGGMPIRTL-AWEZNQCLSA-N 356.444 1.254 0 40 FDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 23702844 MLUVIZZFOPUBQD-SFHVURJKSA-N 357.410 1.776 0 40 FDAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 3480321 UQEBRULHASJNNG-AWEZNQCLSA-N 368.418 1.809 0 40 FDAB C[C@H]1c2cc(F)ccc2O[C@]1(O)C(=O)N1CCN(C(=O)c2ccco2)CC1 12978109 ORFARLUUBHTQTN-BUXKBTBVSA-N 374.368 1.588 0 40 FDAB CCOC(=O)c1cn(CCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 38534501 BQZUFJRGUHBRHU-UHFFFAOYSA-N 353.423 1.008 0 40 FDAB C[C@@H]1CN(C(=O)CNc2cc3c(cc2Br)OCCO3)CCO1 65475446 HRAFLWRDLPDCCC-SNVBAGLBSA-N 371.231 1.880 0 40 FDAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1ccc2c(c1)CCC2 14240207 ARVZYEJAYCWVGF-IINYFYTJSA-N 359.382 1.034 0 40 FDAB CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 14202072 UUCNINGIJJPKOI-HKUYNNGSSA-N 362.470 1.312 0 40 FDAB O=C(Nc1ccncc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005152 SYJJDRCUIKKOAO-HNNXBMFYSA-N 352.460 1.940 0 40 FDAB Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC3CCCC3)C2)n(C)n1 306125206 CJHHDPCXNCWHFG-INIZCTEOSA-N 356.474 1.620 0 40 FDAB COc1cccc(N(CCCC(=O)N2CCOCC2)S(C)(=O)=O)c1 113967570 UXUPZXLEFVXYNN-UHFFFAOYSA-N 356.444 1.100 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)CC1 6738277 XMKVYUUJJZBHQZ-MRXNPFEDSA-N 361.398 1.489 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C(=O)c1cccs1 6881104 FGIXNJRMOUINPM-AWEZNQCLSA-N 368.422 1.967 0 40 FDAB O=C(CSc1nncn1Cc1ccco1)Nc1ccc2[nH]c(=O)[nH]c2c1 9316039 YYQDCOGGZBYUQU-UHFFFAOYSA-N 370.394 1.820 0 40 FDAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1ccc2c(c1)OCCO2 7250137 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373.478 1.945 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC)c1ccccc12 96052599 OTAOAKCDHBYEJG-AWEZNQCLSA-N 350.484 1.993 0 40 FDAB Cc1noc(CN2CCN(C(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)CC2)n1 580393014 VYNQFCDEDFIYPK-HBJVGIJOSA-N 374.363 1.378 0 40 FDAB C[C@@H](O)[C@@](C)(CNC(=O)C1CCS(=O)(=O)CC1)Cc1ccccc1 331102677 CXMDNTWCYHICAQ-RDTXWAMCSA-N 353.484 1.557 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)c1ccccc1O2 96079900 IVTOZSVVNFSOFZ-AWEZNQCLSA-N 367.471 1.576 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccncc2)C[C@@]2(CC(=O)N(C)C2)C1 97952768 IQKOVHXVSYWXCG-IBGZPJMESA-N 359.474 1.166 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1ccsc1)C2 96061956 RQZQVVJLPYEXAY-UHFFFAOYSA-N 369.450 1.869 0 40 FDAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)C1=CCCCC1)CC2 96216637 VJXCRDPSCVXGBX-HNNXBMFYSA-N 356.488 1.434 0 40 FDAB Cc1cc(F)ccc1CC(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257330694 XPNGBLFRNUXKLZ-IBGZPJMESA-N 358.417 1.614 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)OC[C@]1(C)O 257277781 NZIRSTPZDGNDFA-RDJZCZTQSA-N 354.397 1.699 0 40 FDAB O=S(=O)(NC[C@H](c1ccco1)N1CCSCC1)c1cccnc1 253406582 UTAUSXLKIDQTGM-CQSZACIVSA-N 353.469 1.743 0 40 FDAB O=C1CN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C[C@@H](CO)N1 585139923 QWNWIKFCOGYETG-VIFPVBQESA-N 369.299 1.293 0 40 FDAB Cc1ncc(-c2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C 257322381 WFTGEFRBXWWKJW-AWEZNQCLSA-N 363.487 1.776 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1 257291500 QHFSIXRAABDOKY-UHFFFAOYSA-N 363.487 1.543 0 40 FDAB Cc1ccc(C(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)cn1 257315736 VCOBJJQZXGWMGW-GOSISDBHSA-N 352.438 1.244 0 40 FDAB O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257345068 ZZUSERMIZVKJLL-CQSZACIVSA-N 359.411 1.746 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](O)c1ccc2c(c1)CCO2 85559273 WBXKHJBVUGGQOQ-HNNXBMFYSA-N 354.362 1.379 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(F)C3)CC2)cc1C 680262203 PXZHBZMAUDKGAC-UHFFFAOYSA-N 354.447 1.884 0 40 FDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1 390828292 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19446889 QIWFKFSJUHSOOA-MRXNPFEDSA-N 372.473 1.785 0 40 FDAB CCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2CCOC)CC1 19528022 AUNHGIUUPPAYEL-KRWDZBQOSA-N 360.462 1.055 0 40 FDAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)Cc1c(C)noc1C)C2 19707426 VOYOGFVIDBXUQQ-OAHLLOKOSA-N 370.457 1.675 0 40 FDAB Cc1ccc(OCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c(C)c1 502306596 QROYROJCRLUAOX-AUUYWEPGSA-N 356.426 1.552 0 40 FDAB O=S(=O)(c1ccccn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 562716715 GYQSAGPJHYLLOF-HNNXBMFYSA-N 374.466 1.919 0 40 FDAB CN(C(=O)CSc1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 5827095 JFGKISNPSHJJJV-NSHDSACASA-N 353.469 1.311 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 6435797 SNLKWPDXEFAEFF-UHFFFAOYSA-N 355.297 1.426 0 40 FDAB CSc1ncc(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888888152 HJUQOEIVKKFCKZ-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB Cc1nc2ccc(N3CCN(c4ncnc5c4ncn5C)CC3)nn2c1C 2087048797 RCJLQFDCTSSMTM-UHFFFAOYSA-N 363.429 1.349 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2ccccc2)C1 16847411 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32958695 MXSOIOIZQFWKOJ-GOSISDBHSA-N 368.437 1.997 0 40 FDAB CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC13OCCO3)C1(C2)OCCO1 1720582 VQFWJRLZWUTYHC-HOTGVXAUSA-N 370.398 1.159 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCCNCc2ccccc2)cc1 2631240 DXKJWEVHNIFVIH-UHFFFAOYSA-N 362.451 1.931 0 40 FDAB COCCNC(=O)N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 2713508 SMFZYHGGFBKITQ-CYBMUJFWSA-N 361.851 1.396 0 40 FDAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)o1 3521422 LDGPWILIFLLDTJ-LLVKDONJSA-N 366.395 1.728 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 4638671 JDRNIXRYTRZGKC-UGUYLWEFSA-N 364.829 1.867 0 40 FDAB CN1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)s1)C2=O 23642311 CLHQQTWVAJSEDI-UHFFFAOYSA-N 356.879 1.807 0 40 FDAB COC(=O)c1cc(NS(=O)(=O)c2c(C)noc2C)cc(C(=O)OC)c1 6553266 SXXZRNFBXBOLSN-UHFFFAOYSA-N 368.367 1.665 0 40 FDAB Cc1noc(CCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 95389854 CYJJHNOFBDOSDW-OAHLLOKOSA-N 356.382 1.994 0 40 FDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 8267920 VDOCHVMPVXCZPB-MELADBBJSA-N 362.426 1.693 0 40 FDAB CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc2c(c1)OCCO2 12534751 KTLLGGFGBWRGBY-UHFFFAOYSA-N 363.395 1.112 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc1NS(C)(=O)=O 25004153 YWRDKSKRQHGDNE-NSHDSACASA-N 350.444 1.899 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 3214207 IPNGWCBDARXHIS-ZIAGYGMSSA-N 354.472 1.967 0 40 FDAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 55701272 HBYIXCBYPJMQGY-CQSZACIVSA-N 356.488 1.803 0 40 FDAB CCCOC(=O)Cn1cnc2sc(C(=O)OCCOC)c(C)c2c1=O 1784800 SJQQZHGMQIMFEH-UHFFFAOYSA-N 368.411 1.523 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(C)(=O)=O 48142396 YOZXKOCAMDNDAL-SNVBAGLBSA-N 365.377 1.182 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H](C)O 35611380 AIALPLKQKODENZ-LURJTMIESA-N 358.641 1.770 0 40 FDAB CNC(=O)NC(=O)[C@H](C)NCC1(c2cc(C)ccc2OC)CCOCC1 58162992 FPVHMXMGDUBJSK-AWEZNQCLSA-N 363.458 1.486 0 40 FDAB C/C=C/c1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1 12759753 KGSJXSVGEKDKTI-BDUNBXCCSA-N 353.440 1.801 0 40 FDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2cc(F)cc(F)c2)cc1 58200837 CUTOURKPAKZXES-UHFFFAOYSA-N 365.365 1.956 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)c1 3302591 CRDHMCFSURCNCW-UHFFFAOYSA-N 354.428 1.200 0 40 FDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 3429356 CCZLCTDIGPJJCT-UHFFFAOYSA-N 358.416 1.877 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(C)c2C)c1 3533151 AKJVCFWGWAQYNS-UHFFFAOYSA-N 364.423 1.590 0 40 FDAB COc1ccccc1[C@@H](C)NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 13000943 YLLNXHRXKRYIFL-CYBMUJFWSA-N 367.405 1.966 0 40 FDAB S=C(NCCCN1CCOCC1)N1CCCC[C@H]1CCN1CCCC1 13692837 OJEOLZANROVXLM-SFHVURJKSA-N 368.591 1.924 0 40 FDAB CN1CCC(CN(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 96000202 XQCLCONKQACUKS-UHFFFAOYSA-N 365.499 1.114 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 5212122 BUQVSQFHFAWWOD-UWVGGRQHSA-N 352.387 1.211 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3cccn3C)C2=O)cc1 96231879 NALNICDJLPUWKY-INIZCTEOSA-N 370.409 1.161 0 40 FDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NCc1ccccc1 6588950 HKXHFMHOSVZRQI-UHFFFAOYSA-N 369.421 1.984 0 40 FDAB O=C1CC[C@H](C(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc3ccccc3c2)N1 96345689 KMONOCMXGCWNJS-HZPDHXFCSA-N 365.389 1.575 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NCCCN(C)C 16048109 WEHYYSXIYAJZNT-UHFFFAOYSA-N 351.266 1.688 0 40 FDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 89662681 HOKISBQOISFJGM-NEPJUHHUSA-N 359.492 1.370 0 40 FDAB CC1(C)Cc2c(sc3[nH]c(=O)n(NC(=O)c4ccncc4)c(=O)c23)CO1 8738029 HOZVWPPWIJGABO-UHFFFAOYSA-N 372.406 1.382 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2ccc(O)nn2)CC1 75039136 BBUFBHBRLMHZIX-UHFFFAOYSA-N 358.373 1.239 0 40 FDAB O=C(NCCS(=O)(=O)N1CCSCC1)C1(Cc2ccccc2)CC1 75108126 NODKSAMMFVCGJY-UHFFFAOYSA-N 368.524 1.504 0 40 FDAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408560718 PPPMLFHONYOPRW-ZDUSSCGKSA-N 358.460 1.213 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)cc1C 548204885 TYQJHORLQMBLSJ-QWHCGFSZSA-N 357.428 1.470 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 409110401 BTQPPNBHBLKQIW-UHFFFAOYSA-N 362.879 1.957 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(C)c3C)CC2)no1 36022708 JFUHRIHKIFYACB-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB CCc1nc2nc3ccn(-n4cnnc4)c(=O)c3c(-c3ccccc3)n2n1 38828716 GTXGEMNZFSRXOM-UHFFFAOYSA-N 358.365 1.572 0 40 FDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccc(O)cc1 72325460 RNKWWQFXXNMQKT-MRXNPFEDSA-N 353.378 1.192 0 40 FDAB biogenic CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1OC 72324156 FWOIKHQDCAAWQG-OAHLLOKOSA-N 366.421 1.938 0 40 FDAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)Nc1nccs1 38488290 QSOWYEYZRGYKNC-UHFFFAOYSA-N 356.455 1.776 0 40 FDAB O=C(Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)co1)c1ccco1 70847160 LKURTSYQJRUISX-UHFFFAOYSA-N 368.353 1.272 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(N)CO)cc1 218171132 IJRHAVCJAXLBLA-KURKYZTESA-N 361.419 1.353 0 40 FDAB Cc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)s1 40287017 PBHLSQIMMQIIKU-INIZCTEOSA-N 357.395 1.394 0 40 FDAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c1ccc2c(c1)OCCO2 225207665 JORAAVUKJPNVGS-ZDUSSCGKSA-N 370.471 1.775 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](Oc2cccnn2)C1 225458452 FSWQCZITHOURSV-AWEZNQCLSA-N 361.423 1.644 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 225835157 LYCKBQSPZGNURQ-UHFFFAOYSA-N 359.429 1.488 0 40 FDAB COc1ccc(-c2noc(C(=O)N3CCC[C@H]3C(N)=O)c2[C@H](C)O)cc1 225429778 CRSXJJFCKYYDHH-GWCFXTLKSA-N 359.382 1.493 0 40 FDAB biogenic,in-vitro O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(CC(F)(F)F)CC1 44448738 JTWICIPRDKRBKT-ZDUSSCGKSA-N 355.360 1.746 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccccc1 96222587 RQJVGLYBITVCFM-KRWDZBQOSA-N 351.406 1.856 0 40 FDAB biogenic O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCCC1)C2 514288956 HHVAZZAWMOAOTM-RBUKOAKNSA-N 370.497 1.360 0 40 FDAB biogenic,in-vitro COCc1nc(-c2cccc(NC(=O)CCNc3ncccn3)c2)n[nH]1 95478843 OZLZGXJHLWIBBS-UHFFFAOYSA-N 353.386 1.849 0 40 FDAB O=C(N[C@H]1CCc2c[nH]nc2C1)[C@H](c1ccccc1F)N1CCOCC1 332914349 QBYCSMUVAKCHDS-KSSFIOAISA-N 358.417 1.596 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(Cc4nccn4C)CC[C@@H]3C2)nc1 96249773 QBKOHJHXTFPDCB-IAGOWNOFSA-N 356.474 1.500 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244380 DTXOVLGTBFPNGU-GOSISDBHSA-N 359.451 1.967 0 40 FDAB O=C1NCCCN(C(=O)Cc2csc3nccn23)[C@H]1Cc1ccccc1 584429246 DDSAAYHFYHQWMB-INIZCTEOSA-N 368.462 1.898 0 40 FDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)Cc4ccccc4F)CC[C@H]32)n1 96207720 XTUKDLRYZLOHKB-BFYDXBDKSA-N 358.417 1.901 0 40 FDAB O=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCOCC1 96066735 OEYZKZMFJKQTKM-UHFFFAOYSA-N 358.467 1.611 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccncc1F)C2 96237752 VAXVPYWGINNSJN-FQEVSTJZSA-N 368.412 1.784 0 40 FDAB CN(C)C(=O)CN1C[C@@H]2CN([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 248030579 TVENHBIRKTWDRL-SBHAEUEKSA-N 357.498 1.439 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 257235375 GXOSBXCYVFBXGA-CYBMUJFWSA-N 359.451 1.861 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 252003901 NSZWIIQVWGELNH-INIZCTEOSA-N 359.430 1.294 0 40 FDAB Cc1cc(N2C(=O)OCC2(C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1 257235571 GYKRFTHJONKEAG-UHFFFAOYSA-N 368.459 1.659 0 40 FDAB Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 257208517 BMMLPTLNDXBYPE-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)cn1 257309424 UAWOHZIKZTVPQQ-ZDUSSCGKSA-N 351.414 1.695 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257205342 AYPITJHTORHWGZ-INIZCTEOSA-N 356.430 1.290 0 40 FDAB CN1CCCC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 257250409 JMJURMNUFNTAMB-HUUCEWRRSA-N 365.455 1.759 0 40 FDAB CN1CCC[C@H](N2C[C@@H]3CN(C(=O)COC4CCCC4)C[C@]3(C)C2)C1=O 1091507838 CFVGLWPCCMJZEO-SYNHAJSKSA-N 363.502 1.347 0 40 FDAB NC(=O)c1cn(C2CCN(C(=O)N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)nn1 624245997 YKORJNVFBRMCTK-CRAIPNDOSA-N 372.404 1.361 0 40 FDAB Cc1cn2c(n1)C[C@H](C(=O)N1CSC[C@H]1C(=O)NCC(C)C)CC2 624965382 ONBKDIOTMSKPJF-KGLIPLIRSA-N 350.488 1.428 0 40 FDAB O=C(O)c1ncsc1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 656179943 COAPDILYZFZKRA-RNFRBKRXSA-N 374.362 1.620 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@@H]32)CC1 659191046 WISJWMNRDUZCOF-JYJNAYRXSA-N 365.474 1.872 0 40 FDAB COc1ccc(-n2ccc(CNC(=O)CCNC(=O)[C@H]3C[C@H]3C)n2)cc1 55613415 QQPUOCBLTGASMN-DYVFJYSZSA-N 356.426 1.659 0 40 FDAB COc1cccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 75611018 SFHPLVRAFMMXPC-UHFFFAOYSA-N 358.417 1.986 0 40 FDAB CC(C)(C)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086570 WYSSTNPPUNUEFP-HXUWFJFHSA-N 373.453 1.475 0 40 FDAB CN(C)c1ccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)cc1 14405739 DOLZDSAULBMVKV-UHFFFAOYSA-N 350.382 1.980 0 40 FDAB O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1ccc2[nH]c(=O)[nH]c2c1 14406098 XQKUCIXYPSDYKP-UHFFFAOYSA-N 363.337 1.084 0 40 FDAB CN1CCN(Cc2cccnc2N(C)C)C[C@@H](Cc2ccccn2)C1=O 19696833 GYKIINDIULEPFE-QGZVFWFLSA-N 353.470 1.676 0 40 FDAB CNc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)C)c2)cn1 19718551 LYXPUFBURYQELZ-UHFFFAOYSA-N 363.443 1.766 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1)C(=O)O 5633422 UHZQNHHFDVABCG-ZIAGYGMSSA-N 364.398 1.365 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732014 RSSKWTLYDJJOJJ-NSHDSACASA-N 371.315 1.229 0 40 FDAB CC(=O)NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 2664450 XVRVQGQOIUMWTN-AWEZNQCLSA-N 368.817 1.690 0 40 FDAB O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(F)cc1 6602639 GDDQSHXCXMDOQR-UHFFFAOYSA-N 371.324 1.824 0 40 FDAB O=C1NCCCC[C@H]1N1CCC(Oc2ncc(Br)cn2)CC1 1888834587 QTUYZPDVNMGTOO-CYBMUJFWSA-N 369.263 1.751 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N(C)C)CC2)cc1 16427646 JRNXGBJUBDXQBA-HNNXBMFYSA-N 353.488 1.168 0 40 FDAB CCc1nnsc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 21192454 UTOCVXHWFWJVAZ-UHFFFAOYSA-N 370.456 1.612 0 40 FDAB O=C1c2ccccc2C(=O)N1CSc1nnnn1-c1ccc(O)cc1 14070651 PPAGQLAXKFXHSX-UHFFFAOYSA-N 353.363 1.714 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)o1 1565556013 UFIIOGHINAHXQJ-UHFFFAOYSA-N 356.382 1.416 0 40 FDAB COCCN1CCCC2(CCN(C(=O)c3cc(C(C)=O)[nH]n3)CC2)C1=O 1565551003 IMKKADQAPCNRST-UHFFFAOYSA-N 362.430 1.104 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 9571254 KYUALRGPKFPFFG-UHFFFAOYSA-N 367.793 1.933 0 40 FDAB Cc1ccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)s1 2055729980 LZTXIRWWTPKMNW-LLVKDONJSA-N 355.485 1.741 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1)c1cccs1 23106693 OGKZUBDXHLQZLY-CYBMUJFWSA-N 360.439 1.205 0 40 FDAB COc1cnc(O[C@H]2CCN(CC(=O)N3CCCc4ccccc43)C2)nc1 2086865426 VOYULBMUPKSXBX-INIZCTEOSA-N 368.437 1.918 0 40 FDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 101274392 IJMLTUZDXGPQRM-CQSZACIVSA-N 361.398 1.101 0 40 FDAB CCCCn1nnnc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 32741575 XBLXEDQZLUESBS-UHFFFAOYSA-N 367.431 1.081 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)Nc1ccc(F)cc1 32777661 UYDIIMRTALBIKA-VIFPVBQESA-N 371.415 1.842 0 40 FDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCCCO3)c1 22322793 JEGMIXOWCIMBNO-UHFFFAOYSA-N 358.350 1.435 0 40 FDAB CC(C)(C)C(=O)N[C@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl 820553 VTWNRLFJGIQNJT-SSDOTTSWSA-N 360.600 1.707 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NS(=O)(=O)c1ccc2c(c1)OCCO2 42267265 KWEXKEJCKKBBSL-UHFFFAOYSA-N 373.430 1.994 0 40 FDAB COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 1223057 VASBZTBQNVKCAZ-UHFFFAOYSA-N 367.409 1.716 0 40 FDAB CCOC(=O)C(=O)[C@@](Br)(C(N)=O)c1c(C)cc(C)cc1C 1752295 APPVXPMELMBDGC-OAHLLOKOSA-N 356.216 1.820 0 40 FDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Cl 23248808 QZCMFWOODAJLIL-ZDUSSCGKSA-N 371.890 1.083 0 40 FDAB O=C(O)c1ccc[n+](C[C@H](O)COc2ccc(Br)cc2)c1 4832795 CWSJTIHYEZQMPD-ZDUSSCGKSA-O 353.192 1.875 0 40 FDAB COCCNC(=S)N1CCC(NC(=O)c2cccc(OC)c2)CC1 4888579 PMIMQOSCQSNEHV-UHFFFAOYSA-N 351.472 1.410 0 40 FDAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1 6681455 GCMNLNGCFWYUSU-UHFFFAOYSA-N 370.452 1.973 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102082587 PXSNVBYMSGMFIC-UEFGCPDKSA-N 364.401 1.881 0 40 FDAB O=C1C[C@@H](N2CCN(C[C@@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 19363923 YFFUAAZLPPQPTP-ZWKOTPCHSA-N 357.454 1.111 0 40 FDAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)NCCN4CCOCC4)[C@@H]32)Oc2ccccc21 100124376 WEHSMKAKMIUGAX-ZRRCRCOKSA-N 370.449 1.495 0 40 FDAB CN(C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O 58178226 MEAALCSMIFHBNW-UHFFFAOYSA-N 368.455 1.230 0 40 FDAB CCCc1c(COC)nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O 22448511 HEPPVVIPTNABOO-UHFFFAOYSA-N 360.414 1.424 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](c2ccccc2)N(C)C)CC1 58218524 UOFROTNTCDTREF-INIZCTEOSA-N 353.488 1.220 0 40 FDAB COc1ccc(CCN2CCN(C(=O)CNC(=O)C3CCCC3)CC2)cc1 58208930 JCFLLLYJWCMDSF-UHFFFAOYSA-N 373.497 1.688 0 40 FDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCCn1ccnc1 84752852 DKGCIZSOKCWSHS-IBGZPJMESA-N 367.453 1.960 0 40 FDAB COc1ccc([C@@H](CNC(=O)C(F)(F)F)N2CCOCC2)cc1OC 58421399 VCDRIZIWLGPENS-GFCCVEGCSA-N 362.348 1.756 0 40 FDAB Cn1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 25311147 PLBOBVFQRADKGA-UHFFFAOYSA-N 368.484 1.837 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@H]1C[C@H]2CC[C@H]1C2 108880294 RVKUQAVFGAMYNL-VPOLOUISSA-N 364.475 1.384 0 40 FDAB O=C(Nc1nncs1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 12741092 CWCFOQHCDYHJSO-UHFFFAOYSA-N 366.346 1.631 0 40 FDAB Cn1c(=O)c2cc(NC(=O)CCCc3ccccc3)cnc2n(C)c1=O 58942142 QWBPRAAEXKTSDQ-UHFFFAOYSA-N 352.394 1.594 0 40 FDAB O=S(=O)(c1cnn(C(F)F)c1)N1CCN(Cc2cccc(F)c2)CC1 36614874 QCXGAACPXONCOT-UHFFFAOYSA-N 374.388 1.924 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 28871594 AIRFCHJAWKVTAN-OLZOCXBDSA-N 361.398 1.125 0 40 FDAB COC(=O)c1cn(CC(=O)N2CCC(CNC(C)=O)CC2)c2ccccc12 48302999 WMGIFFYCIWHCNN-UHFFFAOYSA-N 371.437 1.803 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CN(CC)[C@@H]1CCS(=O)(=O)C1)C2=O 12936561 VIHCVPGNQAKKHG-XOYHFGRZSA-N 371.503 1.344 0 40 FDAB COCCCn1c(SCC2CCN(C(=O)C(C)(C)C)CC2)n[nH]c1=O 96010382 OXNZRRBIYIASNE-UHFFFAOYSA-N 370.519 1.985 0 40 FDAB CCOCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 4384607 CYWOLZWLBIFXST-UHFFFAOYSA-N 369.468 1.671 0 40 FDAB CCONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14093895 BYCFNUAFNMOLQW-UHFFFAOYSA-N 352.456 1.644 0 40 FDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccccc1 14117690 UWVBNLGOLPRGRX-JLTOFOAXSA-N 368.389 1.656 0 40 FDAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc(OCC(N)=O)cc1 4694156 ICCRCCASCBWKIN-DOMZBBRYSA-N 362.430 1.510 0 40 FDAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCO 6659662 MKPXALHHGLZUOS-UHFFFAOYSA-N 351.786 1.813 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccncc1 14713316 WWOZQKHYTRGANO-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB CNC(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907467 VXUQASFPKIYIRZ-UHFFFAOYSA-N 374.447 1.995 0 40 FDAB CCCn1c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)n[nH]c1=O 7026494 PMQRUJSPRRSMEH-UHFFFAOYSA-N 370.456 1.328 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 7121267 HFOUQJUTCRAFPS-LJQANCHMSA-N 356.426 1.946 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)Nc1cc(F)ccc1F 7348954 DOWZIDWGKZTCLU-JTQLQIEISA-N 370.381 1.759 0 40 FDAB COc1ccc(-c2noc(COC(=O)c3c(C)noc3N)n2)cc1OC 8355139 WFSLNPLEWJLQQQ-UHFFFAOYSA-N 360.326 1.989 0 40 FDAB COc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C 17325385 SFSBBVIHGWCRLR-TXEJJXNPSA-N 356.444 1.195 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806650 ODHUGLGMTGSEQT-DAOPMYJZSA-N 374.528 1.489 0 40 FDAB CN(C)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 72027703 GWGIECSXVOUUDN-UHFFFAOYSA-N 373.906 1.757 0 40 FDAB Cc1ccc(F)c(NC(=O)C2CCN(c3cncc4nnnn34)CC2)c1 89618567 GJOCJSDZTHSCMK-UHFFFAOYSA-N 355.377 1.822 0 40 FDAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)cc1 408709969 JRHBAWKFVKNDEV-CQSZACIVSA-N 369.421 1.361 0 40 FDAB Cc1nnc(CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)o1 36709058 UXHHDQWNHNTYLT-UHFFFAOYSA-N 357.395 1.946 0 40 FDAB C[C@@H](C(=O)N1CCOCC1)n1nnc(-c2ccc(Br)cc2)n1 44203191 VBEFLQAEHMHUGB-JTQLQIEISA-N 366.219 1.522 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225515191 VMPWVSHJCQKQGX-OLZOCXBDSA-N 354.410 1.445 0 40 FDAB COc1cc(CN2CCN(C(=S)NC3CC3)CC2)cc(OC)c1OC 225224381 ABCSIAZQLZEUKU-UHFFFAOYSA-N 365.499 1.867 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)N(Cc1csc(C(=O)O)c1)CC2 574093028 VYMYHELVPBBIEH-UHFFFAOYSA-N 352.437 1.917 0 40 FDAB CC(C)CCN1C[C@H]2CCN(C(=O)c3ccccn3)CC[C@H]2S1(=O)=O 96145570 KTMGACUTIJCOHK-NVXWUHKLSA-N 365.499 1.994 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(C[C@H]3CCOC3)C2)c2cccnc21 253489459 FHSZIBHPEQJNMR-CVEARBPZSA-N 357.458 1.393 0 40 FDAB COCCOCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257277374 NXSQIDOFRSPPSM-GOSISDBHSA-N 362.470 1.936 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 252494484 NXCLQFNCGSCZPX-CYBMUJFWSA-N 363.395 1.149 0 40 FDAB Cn1nc(-c2cnccn2)cc1CNC(=O)Cn1c(=O)oc2ccccc21 253473241 SZOKOTNNISTDOT-UHFFFAOYSA-N 364.365 1.101 0 40 FDAB CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNC[C@@H]1CC(C)(C)CO1 1087028526 LTEMNSVGFCFKPZ-IJEWVQPXSA-N 350.463 1.292 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(Cl)ccc1F 643971526 XYQNFXGAUTVFHN-CYBMUJFWSA-N 351.783 1.733 0 40 FDAB O=C(O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cn1 653310005 RJRAZSHRYRLYHG-KRWDZBQOSA-N 365.389 1.626 0 40 FDAB C=CC(=O)N1CCO[C@@H](C(=O)N2CCN(c3cccc4[nH]ccc34)CC2)C1 1775986640 HNPLUTXFHTWYCF-GOSISDBHSA-N 368.437 1.230 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCN(C(=O)C3CC3)C3(CCOCC3)CC2)n1 1775962908 VDZVFIKNLPLEJC-UHFFFAOYSA-N 374.485 1.520 0 40 FDAB CC(=O)Nc1nc([C@@H]2CCCN2CC(=O)Nc2cn(C)nc2C)cs1 585273627 XFVAMBVSXIQZFO-AWEZNQCLSA-N 362.459 1.919 0 40 FDAB COC(=O)c1ccc(OCCN2C(=O)N[C@]3(CCSC3)C2=O)cc1 40154658 DVOXVVXVAIQCHI-INIZCTEOSA-N 350.396 1.280 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615122224 QJPDCDSHOCNPNK-UHFFFAOYSA-N 370.384 1.654 0 40 FDAB Nn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccccc1 5257444 YGDUTLFHOYYKLJ-UHFFFAOYSA-N 353.451 1.991 0 40 FDAB CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N4CCOCC4)n3)C2)no1 12367287 SFVUJDVXFQWORJ-LBPRGKRZSA-N 373.413 1.199 0 40 FDAB O=C1Nc2ccccc2/C1=c1\sc2n(c1=O)CN(c1ccccc1)CN=2 12602634 NWOURBYDIHFWRT-FOCLMDBBSA-N 362.414 1.116 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)[C@H]4CCCO4)[C@@H]32)cc1 19211649 IGPMSDQFKPWZMY-XLNGHYISSA-N 364.467 1.442 0 40 FDAB NC(=O)C1CCN([C@@H]2CCN(Cc3c(F)cccc3Cl)C[C@H]2O)CC1 19292586 VQIQLERJIKWKFX-IAGOWNOFSA-N 369.868 1.612 0 40 FDAB O=C(CN1C(=O)CNC1=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 19399671 VCYJMLYWZMMDIJ-HNNXBMFYSA-N 352.394 1.493 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2ccnn2)C1 206935541 NBJYAQQBRGNWDH-SNVBAGLBSA-N 357.233 1.676 0 40 FDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408710254 VBYKFCCKBREHDA-UHFFFAOYSA-N 355.394 1.700 0 40 FDAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C)Cc3ccccc31)N2S(C)(=O)=O 643580521 ZAJCJVLEEQKQOJ-SJORKVTESA-N 365.499 1.668 0 40 FDAB O=C(CN1CCCC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21)NC1CC1 19406450 PNGHIMVLSOHGHZ-DOTOQJQBSA-N 361.511 1.882 0 40 FDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 2627987 MAQDBUKRAGAVKT-KRWDZBQOSA-N 351.406 1.774 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccn2)CC1 18354896 YSSVAQKYOPEXTA-IYBDPMFKSA-N 370.453 1.296 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCN2C1=O 18409707 OIQIYARHTGQNFZ-RISCZKNCSA-N 356.382 1.177 0 40 FDAB O=C(Cc1ccccc1F)N1C[C@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888853310 ZVTXJNLEPKHZHN-CHWSQXEVSA-N 358.373 1.164 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4cc(C)nc5ccnn45)C[C@@H]3C2)n1 1888876298 KQUOMURLFICCRI-ZIAGYGMSSA-N 351.414 1.409 0 40 FDAB Cc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(C2CC2)n1 1888897122 GGKMYOQSUIZCFV-UHFFFAOYSA-N 350.430 1.666 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cnoc3C)CC2)n1 1889096036 LPPHAQLELVSCMO-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB Cc1cnc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 2037840122 HJZWDCTZKCEONE-IBGZPJMESA-N 352.394 1.433 0 40 FDAB O=C(CC1(O)CCC1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 2056206492 XOPAHSBPSVTPIS-QGZVFWFLSA-N 365.499 1.894 0 40 FDAB Cc1nc2ccc(N3CCN(Cc4ccn(C)c(=O)c4)CC3)nn2c1C 2086992653 IGKLAJNKUBZXEV-UHFFFAOYSA-N 352.442 1.367 0 40 FDAB Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1 3672510 YVJQRFCHXFATAO-UHFFFAOYSA-N 368.353 1.711 0 40 FDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1CCCC1 4323119 RINIXBDIQZBMBH-UHFFFAOYSA-N 365.499 1.445 0 40 FDAB O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1c1ccc2c(c1)OCCO2 4499683 JHSMZFWFBBVUDZ-ZDUSSCGKSA-N 374.418 1.542 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)N1CCn2c1nc1ccccc12 30795056 LAKMQAIIBNJUPY-UHFFFAOYSA-N 360.377 1.578 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1C(=O)c2ccccc2C1=O 4729625 PZJFBVMLWOCJKC-CQSZACIVSA-N 364.405 1.415 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804127 GRRBOVXGOUVJPI-CQSZACIVSA-N 372.469 1.127 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)Nc1ncn(Cc2ccccc2F)n1 2804578 PROOSQFGHVZGLU-UHFFFAOYSA-N 350.379 1.308 0 40 FDAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc21 12486217 JKYIIXLSNDRIHG-UHFFFAOYSA-N 369.404 1.263 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F 78815600 DGOOBPMTPGUTEV-NWANDNLSSA-N 354.447 1.860 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccsc1 23133350 QCPREHDLTFYNMS-OAHLLOKOSA-N 372.450 1.170 0 40 FDAB Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cn1 6348368 JJTFISAYALSVGM-UHFFFAOYSA-N 372.772 1.815 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NC[C@@H]1CCCO1 54919164 WYPOPZLVFIUMCF-KBPBESRZSA-N 374.441 1.571 0 40 FDAB C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 55348749 DODIIEPEUZNGAU-WBVHZDCISA-N 367.453 1.514 0 40 FDAB CCCc1ccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 12552255 PBYGVOVNBDOUOG-MRXNPFEDSA-N 357.454 1.716 0 40 FDAB O=C(CN1CCO[C@@H](c2ccc(Br)cc2)C1)N1CCNC1=O 58168145 JJDCHPDQGOAHIO-CYBMUJFWSA-N 368.231 1.374 0 40 FDAB COC(=O)CCN(Cc1nnc2n(C)c(=O)c3ccccc3n12)CC(C)C 58192985 VERCEWIYNNDXFZ-UHFFFAOYSA-N 371.441 1.602 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@@H]2Cc3ccccc3O2)c1 25728201 LCTFRQAPQKDZKN-KRWDZBQOSA-N 374.462 1.702 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1Cc2ccccc2O1 56892504 WYOBHEJAQDFZDM-DGCLKSJQSA-N 366.464 1.535 0 40 FDAB CC(C)c1noc(CCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 48262087 TVFXGUXXTXEIFQ-AWEZNQCLSA-N 364.446 1.366 0 40 FDAB CCNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12755529 LNGBBJJSZARDNG-UHFFFAOYSA-N 357.410 1.806 0 40 FDAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1C 22188004 FHKPJAWSSMHYOD-LLVKDONJSA-N 356.386 1.975 0 40 FDAB O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 58213532 CTSIECDREJOBJZ-UHFFFAOYSA-N 363.421 1.875 0 40 FDAB Cc1nc2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2nc1C 36392267 AALZKGHEYORLHJ-UHFFFAOYSA-N 362.455 1.400 0 40 FDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 101433770 AAOAPYYJGWCCJZ-HNNXBMFYSA-N 357.797 1.790 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 36684303 NCEOYNMGGQOXFQ-SFHVURJKSA-N 359.470 1.830 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc(C(=O)OC)c1 12811244 AUWNRBGXUVEEPI-GFCCVEGCSA-N 360.366 1.209 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 100686335 MQFAJDVHISGRMJ-XSLAGTTESA-N 358.438 1.830 0 40 FDAB CC(C)(C(=O)N1CCN(CC(=O)NCC(F)(F)F)CC1)c1ccccc1 13002533 YFHVPBSNZSYPBL-UHFFFAOYSA-N 371.403 1.787 0 40 FDAB COCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 28875311 NJKJPGQPXHFQOP-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB O=C(NCC(=O)N1CCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13237386 GFJYNYNLNGEVKV-HNNXBMFYSA-N 358.398 1.085 0 40 FDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 3904275 URHYRWVIWDEJME-OAHLLOKOSA-N 350.371 1.521 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cn3ccccc3n2)NC(=O)N[C@H]1CC 5254076 PGWGDEHAWXVKKN-NSHDSACASA-N 372.381 1.400 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1cccc(-n2nnnc2SC)c1 65590640 HTUDZSKHCHCSMG-SNVBAGLBSA-N 363.447 1.420 0 40 FDAB CCn1nc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2c1=O 4525265 ZZUUNABETKBQKX-UHFFFAOYSA-N 356.338 1.508 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccn1 9479107 CMOUMZQVBFYENJ-UHFFFAOYSA-N 367.452 1.094 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O 4999941 PLRZBZJRZRZRBV-UHFFFAOYSA-N 373.453 1.649 0 40 FDAB C/C(=C\C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CC1 96309022 FSFLXRAZIMOPDW-JLHYYAGUSA-N 358.467 1.757 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)N[C@@H]1C 5988670 MUQNHPGVXZDPFX-GFCCVEGCSA-N 362.382 1.517 0 40 FDAB COCCNC(=O)Cn1c(=O)cc(-c2nc(C(C)C)no2)c2ccccc21 67317824 CDZAFRWXBPWCCV-UHFFFAOYSA-N 370.409 1.938 0 40 FDAB O=C(OCn1nnc2ccccc2c1=O)c1cncc(Br)c1 7107609 ZSIMUKUNVAPGAB-UHFFFAOYSA-N 361.155 1.764 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2ccc(F)cc2)o1 27980020 RDGVBWXNZLLASE-GFCCVEGCSA-N 353.371 1.915 0 40 FDAB CCOC(=O)N1CCC(NC[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 8328124 OPPSHEWDGFEYJA-QGZVFWFLSA-N 364.442 1.839 0 40 FDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cnn(-c2ccccc2)n1 95463714 PNLQRVODQJNUIV-UHFFFAOYSA-N 353.426 1.740 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1 8723427 MNVBXJIOASESCI-UHFFFAOYSA-N 364.409 1.746 0 40 FDAB CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 95994266 LDKMJOBOCGPFKK-KBPBESRZSA-N 369.259 1.941 0 40 FDAB Cc1c(C(=O)OCC(=O)c2cnn(C)c2)sc2nc3n(c(=O)c12)CCC3 89567533 AGFSMMGVFGDYRE-UHFFFAOYSA-N 372.406 1.486 0 40 FDAB O=C(O)c1cccc(S(=O)(=O)N(CCO)c2ccc(F)cc2F)c1 89780741 NFZPZKZHHRISLT-UHFFFAOYSA-N 357.334 1.851 0 40 FDAB CC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 76067193 KHBSVPDCCSTFNK-KRWDZBQOSA-N 369.487 1.688 0 40 FDAB CCNC(=S)NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1 408724490 FBYHKPMFQPCDLY-UHFFFAOYSA-N 358.475 1.448 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccncc1 408558696 KAXNWQPIVSSAEM-CYBMUJFWSA-N 363.439 1.382 0 40 FDAB CC(C)c1noc([C@@H](NC(=O)CN2CCOCC2)C2CCOCC2)n1 548661689 JZNBYRPPGCNQQU-HNNXBMFYSA-N 352.435 1.109 0 40 FDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@H]2O)cc1 77265127 SLISOXZRWXAYTJ-QRVBRYPASA-N 371.437 1.735 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cn1 72380573 UVTPEVKLKVFBGY-CYBMUJFWSA-N 370.457 1.835 0 40 FDAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NC1CCCC1 72342156 BKOKFVYQKRSXNW-UHFFFAOYSA-N 366.425 1.063 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326390 RMTINRJJBGOFRN-BUXKBTBVSA-N 371.441 1.003 0 40 FDAB CC(C)(C)NC(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327107 XWWGFGXVMWYATE-UHFFFAOYSA-N 355.486 1.881 0 40 FDAB COC(=O)c1ccc2nc(NC(=O)c3nccnc3C(=O)O)sc2c1 71279082 IPYZVMSRZAKSNP-UHFFFAOYSA-N 358.335 1.823 0 40 FDAB CN(C)c1ncc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cn1 568960195 GXYLWVZZWSAGSB-QWHCGFSZSA-N 354.414 1.356 0 40 FDAB CN(C(=O)C(F)(F)F)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 226280403 DVSDSGUIZIBZRR-UHFFFAOYSA-N 365.377 1.293 0 40 FDAB Cc1csc(CCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 85877689 AUTWUYPNBGBGJI-CYBMUJFWSA-N 358.423 1.251 0 40 FDAB biogenic CS(=O)(=O)N1C[C@@H]2CN(c3ncccn3)CC[C@]2(c2ccccc2)C1 96083393 WCIPRGAGEMPNOC-FUHWJXTLSA-N 358.467 1.516 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1 97569048 NJEPOAXFBNGYJH-UHFFFAOYSA-N 361.471 1.357 0 40 FDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1ccsc1 96087592 NDZQRQDKNKPMGX-AWEZNQCLSA-N 359.499 1.909 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95472916 JJOBUSXGDRKRPR-GFCCVEGCSA-N 353.357 1.766 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1cc2c(s1)CCC2 257306904 SWMZVUPPEGBVRJ-SFHVURJKSA-N 358.467 1.740 0 40 FDAB CC(C)[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26302254 AXNONMDLHPSRLR-IBGZPJMESA-N 360.502 1.875 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)no1 257221341 DOPDIVDXAXHNLQ-LRDDRELGSA-N 361.373 1.907 0 40 FDAB Cc1cc(N)cc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257246984 IWVMRNFCSFLRII-KRWDZBQOSA-N 355.394 1.957 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3ccccc3C(=O)O)cn2)C1 257318014 VMDANCQDVOHMOB-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1cccc(N2CCCC2=O)c1 90613296 WZKSIXPLTNPFOA-INIZCTEOSA-N 371.393 1.585 0 40 FDAB CCc1ccc(F)cc1C(=O)NC1CCN(c2nccn(C)c2=O)CC1 632625828 WOCCSODYXVCFEB-UHFFFAOYSA-N 358.417 1.881 0 40 FDAB COc1ccc(Cl)cc1CN1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 648048959 VVMOEEQIRHZVHF-OAHLLOKOSA-N 370.833 1.483 0 40 FDAB Cc1ccc(N2CCC(C(=O)N[C@@H](Cc3ccncc3)C(=O)O)CC2)nc1 655601276 OQQILNPGCJYWOA-KRWDZBQOSA-N 368.437 1.814 0 40 FDAB Cc1noc(CC(=O)Nc2ccc3c(c2)C2(CCOCC2)C(=O)N3C)n1 585106392 YVYHCGDYMRACBS-UHFFFAOYSA-N 356.382 1.584 0 40 FDAB Cn1ccc(CN2C[C@@H]3CN(C(=O)[C@H]4CC45CCC5)C[C@]3(C)C2)cc1=O 1092053982 IJEUECCMNSKFGU-HLIPFELVSA-N 355.482 1.856 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC(=O)N(C)C1 58265195 OLPXJJYBAAYLAF-XHDPSFHLSA-N 351.834 1.441 0 40 FDAB COc1ccc([C@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)CCN2)cc1 1262636476 STFGDEOWVVSKCR-QGZVFWFLSA-N 366.425 1.606 0 40 FDAB O=C(O)[C@@H]1C[C@H]1C(=O)NC1(CN2CCN(c3ccc(F)cc3)CC2)CC1 1548449272 YFLXJEITJIPEKK-HZPDHXFCSA-N 361.417 1.317 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnnn2-c2cccc(C)c2C)CC1 11623595 CLBQSMCEUUOMNX-UHFFFAOYSA-N 374.470 1.062 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Br)cc1 12997067 WSCHLZPXANMNKD-UHFFFAOYSA-N 366.259 1.942 0 40 FDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)O 16577295 UVSYGDAIZHLVBZ-HOSYDEDBSA-N 369.830 1.977 0 40 FDAB NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CC2)CCO1 19331450 XZAGVWZSYQWIMP-OAQYLSRUSA-N 365.433 1.784 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19347353 LAUXZNOUUDXWEJ-CABCVRRESA-N 359.451 1.771 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccnc(N3CCOCC3)n2)C1 19347415 GKEMHWFCIYNKEI-JKSUJKDBSA-N 367.453 1.094 0 40 FDAB O=S(=O)(c1ccccc1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 19373601 GEKHHNORNBBXDZ-GFCCVEGCSA-N 357.395 1.705 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179738 YGTSBWSWLUWAKN-QTNSFHEISA-N 370.449 1.722 0 40 FDAB COc1cc(OC)nc(NC(=O)COC(=O)c2cccc(Cl)c2)n1 3421592 WGPDPUYMDAHTNM-UHFFFAOYSA-N 351.746 1.943 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5nc(C)cc(C)n5)C[C@H]4C3)ncnc21 1888897437 FCHJOPDFUAGWIF-HUUCEWRRSA-N 364.457 1.826 0 40 FDAB O=C(N[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)C1CC1 1889085248 QCPZZTKJUUWJEJ-JTQLQIEISA-N 354.336 1.638 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)c1ccc(F)cc1)CCO2 2037984845 PNRPBYCXXHKPDB-GOSISDBHSA-N 350.390 1.304 0 40 FDAB Cc1cc(Br)ccc1S(=O)(=O)N1CCO[C@H](C(=O)O)C1 573181732 CBQHMMOUDMJTEW-JTQLQIEISA-N 364.217 1.232 0 40 FDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1ncnc(C)c1C)CC2 1147068090 ZTCSFPGIFHGBML-INIZCTEOSA-N 374.485 1.831 0 40 FDAB O=C(CC1(O)CCC1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 1565555237 CLHYROKCTQKFFI-SJLPKXTDSA-N 353.459 1.210 0 40 FDAB COCc1ccc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)cc1 1565556089 MRJCAOCXKFCNQR-UHFFFAOYSA-N 366.425 1.715 0 40 FDAB CC(C)N1CCO[C@H]2CN(C(=O)c3ccc4c(c3)CC(=O)N4)CC[C@H]2C1 1565547845 OIMMXSAFSIVRRA-YJBOKZPZSA-N 357.454 1.753 0 40 FDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)O1 1565552191 WFTLUQMTDAQLRH-AEFFLSMTSA-N 351.422 1.101 0 40 FDAB COc1ccc(-n2nnc3c(SCC(=O)N4CCCC4)ncnc32)cc1 4166734 MJOLYVOTTOAYCW-UHFFFAOYSA-N 370.438 1.934 0 40 FDAB NC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4374227 QBZRIRSWODSTLI-AWEZNQCLSA-N 356.357 1.852 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)NCc1ccco1 4853671 XCDDJBBZGVMPJM-UHFFFAOYSA-N 369.399 1.939 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1ccccc1 13799623 QZHHPFRIPSICHH-UHFFFAOYSA-N 359.407 1.872 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccc2F)CC1 2055746265 HMVNVCLJLXJCTF-UHFFFAOYSA-N 373.432 1.321 0 40 FDAB Cc1cccc(NC(=O)CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1 2086875477 KBXRYPSOOQEBGO-INIZCTEOSA-N 365.499 1.822 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccnc1OC1CCCC1 40089417 JGWOREZTXKQOKN-OAHLLOKOSA-N 367.471 1.443 0 40 FDAB O=C(NCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 31687890 GLWJSTUDPKFOOI-UHFFFAOYSA-N 355.394 1.384 0 40 FDAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCCN1CCOCC1 20568031 BZTDJZPLLGRJFL-UHFFFAOYSA-N 353.422 1.639 0 40 FDAB CC(C)(C)c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)no1 52579971 OTGUXYKUKUMUFS-UHFFFAOYSA-N 368.445 1.665 0 40 FDAB CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 52940657 URIWUVJADRVHIR-IUODEOHRSA-N 367.471 1.494 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 92771762 BIYHJTVKFPAHHR-IRXDYDNUSA-N 365.499 1.191 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@@](C)(O)Cc2ccccc2)c1 78902983 NBDNTIIDHQUCAC-FQEVSTJZSA-N 370.405 1.522 0 40 FDAB C[C@H](CNS(C)(=O)=O)OC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 79106411 GFNBAKOUBWUWRQ-HIFRSBDPSA-N 368.455 1.020 0 40 FDAB O=C1N[C@H]2CCCC[C@H]2N[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 2341849 ROUPVEVEXKIBOB-QYZOEREBSA-N 370.497 1.120 0 40 FDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3256694 NNRUNQHYDJZCOI-BXUZGUMPSA-N 359.430 1.506 0 40 FDAB C[C@@H](CNC(=O)CSc1nnc(C2CC2)n1CC(N)=O)c1ccccc1 23351960 RMYQICGGEPSFMW-LBPRGKRZSA-N 373.482 1.653 0 40 FDAB Cc1csc(=O)n1CC(=O)OCC(=O)NCCc1ccc(F)cc1 6509272 PBFNNMDJBJXZJP-UHFFFAOYSA-N 352.387 1.259 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 7604487 MEMCUZUNIZNNNO-AWEZNQCLSA-N 354.472 1.934 0 40 FDAB CC(C)(C)c1noc(CCCC(=O)N2CCN(c3cnccn3)CC2)n1 24617946 YJGUYJYNYCSWLC-UHFFFAOYSA-N 358.446 1.829 0 40 FDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3cccc(Cl)c3)nnc12 1414406 WHDYFDXJMAEJKD-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 25866387 HTUNYJUNDXPRMU-SFHVURJKSA-N 374.418 1.862 0 40 FDAB O=C(COc1ccccc1)N1CCCN(c2ncnc3[nH]cnc23)CC1 57140597 XEGOQXHGMJEFMT-UHFFFAOYSA-N 352.398 1.471 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1cnn(C)c1)CC2 26875114 SBNQCQPOEGPGOP-UHFFFAOYSA-N 358.442 1.454 0 40 FDAB COCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10091379 DSMLDBDEBQDCGW-UHFFFAOYSA-N 372.351 1.122 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12761811 CKAWMKCPWQSWRV-NSHDSACASA-N 350.378 1.224 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCN2CCCc3ccccc32)CC1 58223055 WVHWGZJEJVJNIB-UHFFFAOYSA-N 365.499 1.227 0 40 FDAB O=C(CSc1nnc(-c2ccco2)o1)NCCCN1CCCC1=O 3343774 JNMNIURGJUACIE-UHFFFAOYSA-N 350.400 1.550 0 40 FDAB COc1ccc(COC[C@@H](O)CNC(=O)c2ccc3c(c2)OCCO3)cc1 58332435 KNNFCSPERLNOFM-INIZCTEOSA-N 373.405 1.774 0 40 FDAB Cc1cc(C(=O)N2CCCn3ncnc32)cc(S(=O)(=O)N(C)C)c1C 48302568 LMPWITWHPMSLJM-UHFFFAOYSA-N 363.443 1.196 0 40 FDAB COc1ccc(OC)c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 8937492 VOTJHFOQWYTZEB-UHFFFAOYSA-N 361.398 1.897 0 40 FDAB COc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1OC 8996424 HVCLOMDICPWENZ-UHFFFAOYSA-N 356.426 1.704 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 36386901 MBOWIIDHCUTMNG-UHFFFAOYSA-N 354.248 1.860 0 40 FDAB COc1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cn1 10990943 VHDMMNXTPOYXCY-GOSISDBHSA-N 366.421 1.935 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)c(OC)c2)CC1 20017573 TUFYBWMBDHSADD-UHFFFAOYSA-N 370.471 1.382 0 40 FDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccc(F)cc2Cl)C1 45810904 GBDKULOTVPXGNE-NSHDSACASA-N 367.851 1.819 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2NC1=O 29770513 NOAKWGAUYSVCHA-JTQLQIEISA-N 353.334 1.953 0 40 FDAB Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c(=O)n(-c2ccccc2)n1C 408661931 MDTKCXGBADGGQN-CHUNWDLHSA-N 367.405 1.621 0 40 FDAB Cc1cc(N2CCN(C(=O)CN3CSCC3=O)CC2)nc(C(C)C)n1 9050430 SZBGTYUNQCFSBU-UHFFFAOYSA-N 363.487 1.090 0 40 FDAB O=C1CCCN1Cc1ccccc1CNc1nccc(N2CC[C@@H](O)C2)n1 65387262 VPAWHIKDRUDKAL-QGZVFWFLSA-N 367.453 1.782 0 40 FDAB Nc1c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)[nH]c(=O)n1C1CC1 14076197 YZTZOPXFQHZZGZ-UHFFFAOYSA-N 366.421 1.426 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCC1 6778808 VZMWJJZLHVOQPJ-INIZCTEOSA-N 368.455 1.383 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)OC[C@@H]1CC1(Cl)Cl 14853992 JCAIJKRHUVADNJ-QMMMGPOBSA-N 364.206 1.568 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCOc1ccccc1F 14869231 IEOISGFWJNEPCS-ZIAGYGMSSA-N 362.401 1.886 0 40 FDAB CCCNC(=O)c1nsc(C(=O)N2CCN(c3ccccn3)CC2)c1N 67334876 JOESRXDWJNCQJV-UHFFFAOYSA-N 374.470 1.223 0 40 FDAB C[C@@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N(C)C 7504070 HPAAPKTWBRRTLA-LLVKDONJSA-N 362.407 1.368 0 40 FDAB Cn1cccc1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 9503950 RJUQOBLORQMUGF-HNNXBMFYSA-N 350.378 1.852 0 40 FDAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1 8359844 PPLWFYISTUSBHH-ZDUSSCGKSA-N 364.423 1.792 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8492450 PRDALXHXMKBKPK-UHFFFAOYSA-N 350.387 1.274 0 40 FDAB CCOc1ccc(CN(C)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 8734005 XPHHWLCAWFGIRM-UHFFFAOYSA-N 355.398 1.187 0 40 FDAB C[C@H](Nc1cccc(I)c1)C(=O)N1CCOCC1 8710501 FFJKLCAHXMUNIO-JTQLQIEISA-N 360.195 1.950 0 40 FDAB CC(C)CC(=O)N1CCN(CC(=O)Nc2cccc3nsnc23)CC1 19079378 CVVIQDNKIJIHMI-UHFFFAOYSA-N 361.471 1.820 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCc3ccc(CO)c(F)c3)CC2=O)cc1 83947466 ZPCIYTKPYXNJIJ-HNNXBMFYSA-N 372.396 1.996 0 40 FDAB CSc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 95998991 FHLZTBWOKFZMNH-GFCCVEGCSA-N 374.484 1.268 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)c1cccc(CO)c1)n2C 89955438 DNEYJYZDNDNVET-UHFFFAOYSA-N 371.441 1.352 0 40 FDAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 306129547 IGSSFIPTROXRBL-HNNXBMFYSA-N 365.441 1.786 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 79494474 SQCZSJRHVHZMDK-YWZLYKJASA-N 370.453 1.725 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)NCCn3nc(C)cc3C)CC2=O)c1 44158994 VHDZZIURIHASOJ-HNNXBMFYSA-N 356.426 1.678 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4noc(C)n4)CC3)nn2)n1 77966782 WQGVXLXNPANJMS-UHFFFAOYSA-N 354.418 1.293 0 40 FDAB CCOC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225647081 IFCXKFZDKSOSNX-UHFFFAOYSA-N 350.415 1.678 0 40 FDAB Cc1noc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)n1 40105840 SAVLBRLFNZJVSI-UHFFFAOYSA-N 355.192 1.692 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 223264106 OGBWWJJQMQDGOZ-HNNXBMFYSA-N 368.455 1.031 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccoc3)CC2)C1 47088784 OFJQFXHJPSGCPL-HOTGVXAUSA-N 362.474 1.611 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCc2ccc(OC)cc21 331563856 JRJKUHVDZNVJBL-HIFRSBDPSA-N 352.456 1.265 0 40 FDAB CC1(C)Cc2n[nH]cc2CN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C1 1590112762 FUPUXPFAOKZXRD-UHFFFAOYSA-N 352.402 1.138 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)[C@@H](c2ccncc2)CC(=O)N3C)no1 96199988 KPVIVVJAPMLFDL-OAHLLOKOSA-N 354.410 1.999 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244313 NCLWUTHGYWPUKT-SFHVURJKSA-N 372.450 1.505 0 40 FDAB O=C(COC[C@]12COC[C@H]1CN(Cc1nccs1)C2)N1CCCC1 96108805 AMOWCQAHDBCRRW-PBHICJAKSA-N 351.472 1.231 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(Cc4cccnc4)CC3)[C@@H]1CN(C(C)=O)C2 97952831 JLZCAMOOQVGDBS-GHTZIAJQSA-N 370.497 1.668 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)NC(C)C)CC[C@@]1(C)O 604383078 FJTHYDLFULYFOE-YQQAZPJKSA-N 369.487 1.495 0 40 FDAB biogenic,in-vitro CCO[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 612030730 QTBAAMLFKVERJP-OCCSQVGLSA-N 372.874 1.598 0 40 FDAB C[C@@H]1OCCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H]1C(F)(F)F 622985017 GTBQWWRNNHEHFJ-BONVTDFDSA-N 355.316 1.575 0 40 FDAB CCOc1ccccc1N1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 65502912 VITUIRNAGKIXAF-MRXNPFEDSA-N 369.469 1.773 0 40 FDAB CC1(C)CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1c1cccnc1 292755082 WKGCKKBQAVDHMQ-DZGCQCFKSA-N 366.487 1.456 0 40 FDAB CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC4(CCCN4C)CC3)c2C1 1255754490 DXXIOEYHFBDEQB-INIZCTEOSA-N 373.501 1.282 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc2nnnc(O)c2c1 604418984 CHFXGZOJGHVUNQ-LLVKDONJSA-N 353.338 1.692 0 40 FDAB Cn1cc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cn1 96119908 ZCQWXEUNCKQPHU-UHFFFAOYSA-N 351.409 1.784 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 653552901 MPXLPKLFDOTPQK-AWEZNQCLSA-N 370.352 1.398 0 40 FDAB O=C(c1ccnc(F)c1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 585105416 WHDWBCYUTWCBKZ-AUUYWEPGSA-N 370.384 1.273 0 40 FDAB C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1C(=O)C1CC(O)C1 585097895 OTEUBBNKLCJMTO-VQCLRJIVSA-N 356.426 1.574 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)Cn2cccn2)[C@@H]1Cc1ccc(F)cc1 585280326 FIWXXKLFRNOZLV-ROUUACIJSA-N 358.417 1.761 0 40 FDAB CCN1CCO[C@@H](CNC(=O)N[C@H]2CC[S@@](=O)C2)[C@@H]1c1ccccc1 585098834 HBUIDSWAOYGHQL-RRNUEHDVSA-N 365.499 1.269 0 40 FDAB COC(=O)CNC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12157602 NIXSJWXIOLUUAQ-MRXNPFEDSA-N 374.437 1.964 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC[C@@H]2CCCO2)n1 12735071 ZEULMBVZPLVHKE-KGLIPLIRSA-N 359.430 1.117 0 40 FDAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16423219 HCKKMJPHOLLAJH-JKSUJKDBSA-N 368.499 1.340 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1nc2ccccc2[nH]1 17304444 FHQFUAKTMLFMTK-UHFFFAOYSA-N 369.406 1.630 0 40 FDAB Cc1nnsc1C(=O)N1CCO[C@@H](C(=O)N2CCc3ccccc3C2)C1 19747735 NDUOPNXJJQSSHM-OAHLLOKOSA-N 372.450 1.272 0 40 FDAB COC(=O)COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1Br 8091567 QFDNSTCNYUZNEY-UXBLZVDNSA-N 369.171 1.523 0 40 FDAB O=C(CN1CCOC1=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225733684 WTBYARBGMDAIAX-LLVKDONJSA-N 359.304 1.532 0 40 FDAB CO[C@H]1[C@H](CNC(=O)CC2=CC(C)(C)NC(C)(C)C2)COC[C@H]1OC 643585451 MDFCEAPBRFBGHU-INMHGKMJSA-N 354.491 1.646 0 40 FDAB CN(C(=O)CSc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 3546347 ZGDKGQKSHOLEQK-CYBMUJFWSA-N 366.468 1.005 0 40 FDAB CC(=O)N1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)Oc2ccccc21 10458884 BNWBHKVEAFVMJC-QGZVFWFLSA-N 355.394 1.422 0 40 FDAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 11010734 LEUIFBBRGBDQAP-SMDDNHRTSA-N 351.424 1.480 0 40 FDAB Cc1cc(CN2CC[C@@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)on1 1888875804 ZDSJUHGTKSTJEF-CYBMUJFWSA-N 360.439 1.638 0 40 FDAB COc1ccc2nnc(CNC(=O)CCc3nc4ccccc4[nH]3)n2n1 244970250 HPLOYUCAWGVGKF-UHFFFAOYSA-N 351.370 1.258 0 40 FDAB CCn1cc(CN2C[C@@H](C(=O)NCc3ccon3)C3(CCOCC3)C2)cn1 1615103920 SYJMCGLFIZXXHZ-KRWDZBQOSA-N 373.457 1.436 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3)c2=O)cc1 4139746 PLBKXBOOJHBCOD-UHFFFAOYSA-N 374.404 1.983 0 40 FDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(C(N)=O)CC1 11694376 GJUHACUPDYSGHM-UHFFFAOYSA-N 360.389 1.748 0 40 FDAB COCCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055738668 IIKKFXGRHANNIH-UHFFFAOYSA-N 363.433 1.914 0 40 FDAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CCF)CC2)O1 2055795657 AHGDBCVSHPOIIU-AWEZNQCLSA-N 366.437 1.328 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3cccnc3)CC2)[nH]1 2055713746 GISSZSZTVVSQSM-UHFFFAOYSA-N 365.441 1.064 0 40 FDAB O=C([C@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCC(F)(F)CC1 2086884545 IJLCUQNZGQFTND-CQSZACIVSA-N 352.385 1.817 0 40 FDAB Cn1cnnc1SCCNC(=O)c1ccc(OCC(=O)C2CC2)cc1 49027458 MCJKQOBRFPGBAC-UHFFFAOYSA-N 360.439 1.695 0 40 FDAB O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(F)(F)CC1 2298048289 GHJZXROCJRSKJC-LLVKDONJSA-N 350.373 1.827 0 40 FDAB CCOC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 36666263 MOKVTYWMWOTKCH-CQSZACIVSA-N 368.455 1.136 0 40 FDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1cccnc1S 30645651 ARXBJZCTMRNOIY-UHFFFAOYSA-N 358.471 1.102 0 40 FDAB CNC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 32770940 NLFCNNPRRLEYLL-MRXNPFEDSA-N 365.393 1.105 0 40 FDAB COCCn1c(SCC(N)=O)nnc1-c1ccc(OC)c(OC)c1 4161314 IJHWAYGPMBBBKG-UHFFFAOYSA-N 352.416 1.186 0 40 FDAB CCCn1nnc(NC(=O)c2cccc(I)c2)n1 1100132 LRBAFBSWSQHLJX-UHFFFAOYSA-N 357.155 1.940 0 40 FDAB CN1CCC(NC(=O)COc2ccc(I)cc2)CC1 104908975 AQNGDIGSIWZDJF-UHFFFAOYSA-N 374.222 1.880 0 40 FDAB CC(C)(C)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016616 XZGPBFLCNVIDBB-UHFFFAOYSA-N 371.416 1.943 0 40 FDAB O=C(NCC1CC1)[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 47980795 ABHAGMIYHZOOGD-INIZCTEOSA-N 350.484 1.699 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSCc1cc(=O)n(C)c(=O)n1C 108059191 BWAMBOWAAYNGFE-MBNYWOFBSA-N 353.488 1.258 0 40 FDAB CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58024705 SVEDJMFFIJXVSK-KRWDZBQOSA-N 359.470 1.929 0 40 FDAB CN(C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 103125892 IGDMDJXZOJIXND-HOTGVXAUSA-N 370.405 1.534 0 40 FDAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(N)(=O)=O 29513028 JSGLSIPUOXKQPF-SNVBAGLBSA-N 352.387 1.973 0 40 FDAB CCOc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cn1 58160272 MTNLHVSWXJFGMO-GOSISDBHSA-N 354.366 1.787 0 40 FDAB CSc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 58195057 KKPMWHLSSUWYPS-HNNXBMFYSA-N 370.496 1.420 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N[C@H](C)COCC(F)(F)F)cc1 58186218 HLMSDOZEIXLEBP-LLVKDONJSA-N 362.348 1.899 0 40 FDAB CCN(C[C@@H]1COc2ccccc2O1)Cn1nnc2ccccc2c1=O 58140335 ZSNJGRNWBVHHKZ-CQSZACIVSA-N 352.394 1.911 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)OC 101658565 BBBLNHXITNZBEV-WSMBLCCSSA-N 361.442 1.565 0 40 FDAB CCN(CC)C(=O)CN1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1 53196972 YYIQNPTWIJLTFF-UHFFFAOYSA-N 374.485 1.468 0 40 FDAB CCOC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC)c1 58201433 WXUYRACOXDWRNO-AWEZNQCLSA-N 354.428 1.153 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN(C)C)C2)cc1 22258779 NSYJHMAGIVPZAQ-INIZCTEOSA-N 367.515 1.464 0 40 FDAB O=C(Cn1nnc2ccccc21)NCC1(N2CCOCC2)CCCCC1 12759928 FXLZETCDIGGLJD-UHFFFAOYSA-N 357.458 1.583 0 40 FDAB CCc1nnc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)s1 11615551 HLMVDLMOKJMALY-UHFFFAOYSA-N 356.429 1.868 0 40 FDAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 20152516 MYIACMYQVRIITQ-UHFFFAOYSA-N 372.402 1.961 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1CCN(c2ccccc2)CC1 10199793 WHEWXGJHZNJOJA-UHFFFAOYSA-N 370.453 1.471 0 40 FDAB NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12899912 GZRFYFIHBLWQND-UHFFFAOYSA-N 350.378 1.564 0 40 FDAB biogenic C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC(=O)Nc3ccccc31)C2=O 3595665 IYQIHLZXDOWXPZ-BUXKBTBVSA-N 370.409 1.472 0 40 FDAB COc1cccc(CN2C[C@H]3Cn4c(nn(CC(C)C)c(=O)c4=O)[C@H]3C2)c1 306142060 WOGKROWKGRUHHN-RDJZCZTQSA-N 370.453 1.299 0 40 FDAB CCOc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 12913046 RUZVWNJDKNRISG-OAHLLOKOSA-N 357.410 1.951 0 40 FDAB CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 12906645 YFHUDUGIHDFHGF-ZWNOBZJWSA-N 354.453 1.135 0 40 FDAB CN(Cc1ccccc1)C(=O)COc1coc(CN2CCOCC2)cc1=O 49550491 PJOFTPVOOONZMH-UHFFFAOYSA-N 372.421 1.509 0 40 FDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 6108159 OJHMNBWMWSTYIY-INIZCTEOSA-N 369.343 1.621 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCCOc1ccc(Cl)cc1 39983224 QRRKVFMGYUPDBG-ZDUSSCGKSA-N 363.888 1.755 0 40 FDAB CCC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1 4386732 FBNXZXZTDRYJKK-UHFFFAOYSA-N 356.382 1.839 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 5342064 HSEVBIKBHLVPEN-BLVKFPJESA-N 373.409 1.912 0 40 FDAB CC[C@H](OC(=O)CNC(=O)NCc1ccccc1)C(=O)Nc1cc(C)on1 14702985 STVUMLJMYOXLHO-AWEZNQCLSA-N 374.397 1.743 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc3ncnn23)cc1 6756180 MHPJBYQNEOFEGR-UHFFFAOYSA-N 365.440 1.270 0 40 FDAB O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCc2ccc(Cl)cc2)N1 6759848 OPAWKRDPDFMHHA-STQMWFEESA-N 367.858 1.136 0 40 FDAB CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19889803 VGQKQEODWRJAKL-CQSZACIVSA-N 369.462 1.000 0 40 FDAB O=C(CCN1C(=O)CCC1=O)N1CCCN(c2nc3ccccc3[nH]2)CC1 70010537 MARMLKPTZARKBQ-UHFFFAOYSA-N 369.425 1.141 0 40 FDAB COCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)no1 72302694 OVDKNQCIBRLQMD-KRWDZBQOSA-N 363.389 1.763 0 40 FDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 8507073 AMADZIRPGWIELN-NSHDSACASA-N 365.238 1.849 0 40 FDAB CCOC(=O)C1=C(Cn2nc(-c3cccs3)oc2=O)NC(=O)N[C@H]1C 8884352 ISALPKVGXIEFMW-QMMMGPOBSA-N 364.383 1.083 0 40 FDAB O=C(Nc1cccc(F)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998783 JLLPZRJACDAAFJ-HNNXBMFYSA-N 371.434 1.484 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccccc3)C2)cc1 89453887 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COc1ccc(S(=O)(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 12234838 UYOWKICRBHUXJN-UHFFFAOYSA-N 374.418 1.844 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O 10457535 IJARBNKURUDCAZ-AWEZNQCLSA-N 369.421 1.670 0 40 FDAB COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)N(C)C 40087919 VGKCRFOMRDIZLK-WBVHZDCISA-N 361.486 1.919 0 40 FDAB O=C(O)/C=C/CC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40158820 CIMUYERZDMIDLQ-RUDMXATFSA-N 352.350 1.514 0 40 FDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 40106403 VLIFGNSWBPXZFZ-LLVKDONJSA-N 366.395 1.696 0 40 FDAB Cn1nnnc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 30789679 BTOAVASZTCSLCV-UHFFFAOYSA-N 351.392 1.745 0 40 FDAB CC(C)(CO)NC(=O)c1nc(CC(=O)Nc2ccc(F)cc2F)no1 40287719 DMAQGOSDFUSRIC-UHFFFAOYSA-N 354.313 1.030 0 40 FDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCC(N)=O)c1ccccc1 31669021 JZFBDCUDZUZMKG-UHFFFAOYSA-N 362.407 1.764 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)/N=c2/sccn2C)c1 101618294 BTCIUXKFAFRTGC-BMRADRMJSA-N 367.452 1.085 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)Cn3ccnc3)CC2)cc1F 52356895 YMEZVCMPLLZDNA-UHFFFAOYSA-N 358.417 1.886 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3ccccn3)CC1)C2=O 22923994 KVODCITUTCQRKG-OXQOHEQNSA-N 371.485 1.657 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)c1ccc(OC)cc1 42314804 GYZHCCJNOBIEKC-UHFFFAOYSA-N 355.393 1.662 0 40 FDAB O=C(NCCO)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 6344911 SESUJNBRHVGQJA-UHFFFAOYSA-N 367.386 1.819 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)N(C)C 7501573 QLANSFMYVHRZHS-LLVKDONJSA-N 370.361 1.709 0 40 FDAB O=C(CCn1cccn1)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100121219 AZZZRODOKPTVAN-RHSMWYFYSA-N 368.441 1.188 0 40 FDAB CN(C)C(=O)c1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccn1 10973419 ACZFMCFDCVOODV-UHFFFAOYSA-N 368.437 1.834 0 40 FDAB CC(=O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 8299805 ACDKUQQYZNAZDJ-OIISXLGYSA-N 359.474 1.640 0 40 FDAB biogenic,in-vitro CON(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24862725 MHMXWYMDNOJORK-UHFFFAOYSA-N 354.453 1.903 0 40 FDAB 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1.783 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58290973 LORDHHBKOXLAMY-ULQDDVLXSA-N 369.421 1.556 0 40 FDAB Cc1noc(C)c1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12781356 VCGRVJOFIMXMHM-INIZCTEOSA-N 371.393 1.416 0 40 FDAB NC(=O)c1cccc(CNC(=O)CN2C(=O)CSc3ccccc32)c1 29141445 SLCBIXVSYFNUNW-UHFFFAOYSA-N 355.419 1.541 0 40 FDAB CC(C)[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 12750507 XCHNCHVJDHDLRD-CQSZACIVSA-N 372.450 1.821 0 40 FDAB COc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102208394 LVTPIRUOMVOFFQ-RRQGHBQHSA-N 373.405 1.957 0 40 FDAB COc1ncccc1CNC(=O)NCc1ccccc1N1CCOCC1 62485044 DHTOFNRMUPUQDE-UHFFFAOYSA-N 356.426 1.926 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1OC 20005022 WFWCBJHOWLMOJH-AWEZNQCLSA-N 364.423 1.079 0 40 FDAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 46541510 WNCHSDHAJBNMGO-ZDUSSCGKSA-N 350.444 1.700 0 40 FDAB Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 3513017 ODEVUBMPKZNBGX-UHFFFAOYSA-N 360.443 1.613 0 40 FDAB 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CC[C@]1(C)NC(=O)N(NC(=O)CNc2cccc(C(F)(F)F)c2)C1=O 22017727 AEDHCPHCPXZTMF-AWEZNQCLSA-N 358.320 1.869 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)n1 2037838736 ZFEJNQGRIWEVCQ-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB O=C(C1CC(O)C1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@H]2C1 1614934460 SSUBCRDMOFGXSK-LEOMRAHMSA-N 358.486 1.586 0 40 FDAB O=C(c1csnn1)N1CCN2CCc3c(ncn3CC3CCCC3)[C@H]2C1 1614933069 CUVSAESSLPMGPZ-MRXNPFEDSA-N 372.498 1.980 0 40 FDAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCCCC2)c1=O 9623125 FYQJNWANVVGFMB-UHFFFAOYSA-N 357.458 1.929 0 40 FDAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2ccc4c(c2)OCO4)CC3)C1 2055734500 DAESIUYKBQXAKB-HUUCEWRRSA-N 371.437 1.617 0 40 FDAB C[C@@H](C(=O)O)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326483 ZLVHYSNXCHQSOG-XXFAHNHDSA-N 351.790 1.677 0 40 FDAB CSc1ccc([C@@H](O)CNC(=O)C(=O)NCc2cccs2)cc1 96103253 ZYSCSGGVSURWSP-AWEZNQCLSA-N 350.465 1.936 0 40 FDAB CCC(=O)N[C@@H]1C[C@@H](c2nc(COC)nn2-c2cccnc2)CC[C@H]1O 2332241416 CINAOFYBYLAPER-NWANDNLSSA-N 359.430 1.332 0 40 FDAB O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)NC[C@H]1CCCO1 30970854 WZIBOGXXGLWJAA-MRXNPFEDSA-N 369.868 1.892 0 40 FDAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777766 FGWQAOVYDHEUID-CYBMUJFWSA-N 371.507 1.386 0 40 FDAB C[C@H](NC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)c1ccccc1 32801484 LUKPVPHXYVQPRW-RMKBEBRYSA-N 369.450 1.788 0 40 FDAB COc1ccccc1OCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 32931476 KHCNYLVONFZRKZ-IBGZPJMESA-N 369.377 1.767 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1ncc3ccccc3c1=O)C[C@@H]2O 32923159 CDCVDAUGDYEQES-INIZCTEOSA-N 367.405 1.920 0 40 FDAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(C)o4)sc3nc2=O)cc1 102862070 HWNIUKXVOLKMNZ-YBEGLDIGSA-N 365.414 1.860 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccnc3)on2)cc1 41460919 JBFVANXMMGIFKD-UHFFFAOYSA-N 372.406 1.357 0 40 FDAB Cc1noc(C)c1CCC(=O)NCCS(=O)(=O)Cc1ccccc1 41656990 LYNGDQXFAKTFBO-UHFFFAOYSA-N 350.440 1.955 0 40 FDAB Nc1nccnc1C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1 53424534 MYCXXIFKRQSXRR-UHFFFAOYSA-N 371.416 1.409 0 40 FDAB C[C@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc3nncn3n2)CC1 47278143 WNZOTOMDGQNBGI-CQSZACIVSA-N 365.441 1.955 0 40 FDAB Cc1cc(C)n2nc(C(=O)NCc3ccnc(-n4ccnc4C)c3)nc2n1 47234368 VKABOLQEMCBSKG-UHFFFAOYSA-N 362.397 1.560 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(CC(F)(F)F)CC3)cnc12 24528809 HAHSOYLEOZCGCW-UHFFFAOYSA-N 368.359 1.411 0 40 FDAB CN(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cn1 24669258 HGVJRDWGUSXLQV-INIZCTEOSA-N 370.478 1.979 0 40 FDAB Cc1noc(C2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)n1 56131753 GZSJWWZDIGWXFX-UHFFFAOYSA-N 353.386 1.438 0 40 FDAB O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)N1CCOCC1 57010289 RGVZVWRFCLWIKG-UHFFFAOYSA-N 358.435 1.041 0 40 FDAB CN(C)[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 57917588 RRKNDMKLDPCIIC-ZDUSSCGKSA-N 353.469 1.428 0 40 FDAB Cn1nc(CC(=O)NCc2ccccc2-n2cccn2)c2ccccc2c1=O 58157826 ZVRFVJFDNNBQTH-UHFFFAOYSA-N 373.416 1.978 0 40 FDAB COC(=O)[C@]12C[C@@]3(C)O[C@@]1(C)OC(=O)[C@]2(Cc1ccccc1)N3C(C)=O 104111084 PKEFXYCLUPEOGI-MKXGPGLRSA-N 359.378 1.399 0 40 FDAB COc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 58265015 AAIQWZKRSKKYKE-HNNXBMFYSA-N 361.486 1.685 0 40 FDAB CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100180258 ZBWNBYKUNFBPOB-URYASSDKSA-N 357.454 1.619 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1 3320062 CADTWUOQMHLEDU-UHFFFAOYSA-N 370.471 1.789 0 40 FDAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(CCO)cc2n(C)c1=O 2413473 SKXMVJUJJQRQLA-UHFFFAOYSA-N 355.438 1.996 0 40 FDAB O=S(=O)(NCCO)c1cc(Br)ccc1Br 11566267 BVOMWZBESACPEM-UHFFFAOYSA-N 359.039 1.482 0 40 FDAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3442779 CJOJMMBKHQVTDY-VIFPVBQESA-N 355.851 1.556 0 40 FDAB Cn1c(CCNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(N)ccc21 13689622 QUHITKTYXUYZQP-KRWDZBQOSA-N 352.394 1.654 0 40 FDAB COc1ccc(NC(=O)c2cnc(N3CCN(C(C)C)CC3)nc2N)cc1 65154808 UXQHOBXISKGTGN-UHFFFAOYSA-N 370.457 1.850 0 40 FDAB C[C@H](O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 5257078 ZUZLZMUVPLANJJ-HNNXBMFYSA-N 356.415 1.578 0 40 FDAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(C(=O)C2CC2)CC1 9386176 OJALTTJODUZEHH-UHFFFAOYSA-N 350.802 1.806 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(Cc3ccsc3)CC1)CS2 65504815 KZJBZEFPDYUMND-WMLDXEAASA-N 365.524 1.846 0 40 FDAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NC1CC1 4502509 NYJCQGSTBGHVMN-UHFFFAOYSA-N 352.456 1.827 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC2(C(=O)O)CCCC2)cc1C 95424229 HCXXZHLQXHOBKA-UHFFFAOYSA-N 368.455 1.485 0 40 FDAB CN(CCO)[C@@H]1CCc2c(c(C(=O)NCc3ccccc3F)nn2C)C1 14749562 AQIPUQRRAFJCAC-CQSZACIVSA-N 360.433 1.271 0 40 FDAB CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCC3)C1=O 5776816 KQEVPPQTBBWDTM-IBGZPJMESA-N 358.394 1.622 0 40 FDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7686140 FBGNHKJPEFBVAL-CQSZACIVSA-N 354.428 1.437 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022100 KAEWUPPTNDRMNN-MFCZKXCZSA-N 355.438 1.863 0 40 FDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1CCN(C(=O)N2CCCC2)CC1 81707030 VYBGHFRNVAPZEM-ROUUACIJSA-N 357.454 1.689 0 40 FDAB COc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 8287085 QANCYJZEKHYOGT-UHFFFAOYSA-N 359.407 1.763 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3ccco3)C[C@H]12)c1ccccc1 306125513 CSYQGWZERDRIBR-BMGDILEWSA-N 362.451 1.705 0 40 FDAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NC2(CO)CCC2)c1 95461951 ULRKCZMYUPHBOZ-UHFFFAOYSA-N 366.361 1.172 0 40 FDAB CCN1CCN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)CC1 19991865 TWVABETZLJRINI-UHFFFAOYSA-N 367.515 1.705 0 40 FDAB NC(=O)COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 8708078 FEZJWGGIROOPGG-MRXNPFEDSA-N 357.410 1.711 0 40 FDAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(CCC(N)=O)n1C 9836416 JNKODLSVBKTQCU-GFCCVEGCSA-N 373.482 1.693 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2cc(C)ncn2)N2CCOCC2)cc1 89600825 RHDNGBBNJJNGJU-GOSISDBHSA-N 356.426 1.597 0 40 FDAB CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 89893433 BPXYJZALYYXJML-DYVFJYSZSA-N 365.455 1.467 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 89865773 ZJRFORFRBWJEBY-CYBMUJFWSA-N 373.409 1.197 0 40 FDAB 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357.385 1.528 0 40 FDAB NC(=O)C[C@]1(O)CCCN(CCOc2cccc(Br)c2)C1 643804161 OCOWXFAULTVWNR-OAHLLOKOSA-N 357.248 1.530 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](OCCCc2ccccc2)C1 674454241 XEECKNWNUBRPEM-SJORKVTESA-N 351.468 1.671 0 40 FDAB COc1c(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)oc2ccccc12 682760515 FWELXVYMADUDBJ-UHFFFAOYSA-N 371.393 1.826 0 40 FDAB CC(C)(C)C(=O)C(=O)NCC1(O)CCN(C(=O)c2ccc(F)cc2)CC1 1775990774 HKWMTTDATDPZEF-UHFFFAOYSA-N 364.417 1.524 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC(NCCO)CC2)c(C(F)(F)F)c1 290938252 KZELDVFUFXXXIT-UHFFFAOYSA-N 366.405 1.660 0 40 FDAB CCOCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575402640 AAKLDUQTGLRWNL-OAHLLOKOSA-N 362.455 1.223 0 40 FDAB COc1ncc(CN2CCOC[C@@](O)(COc3cccc(C)c3)C2)cn1 585269251 MVCVDUFTCGTOSF-LJQANCHMSA-N 359.426 1.436 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@H](C)C2 585097999 QGCHXDKBRXOPDU-CYBMUJFWSA-N 350.444 1.368 0 40 FDAB CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 585282361 IGJPZMZNAZJWHK-PMACEKPBSA-N 362.470 1.182 0 40 FDAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)Cn2nc(C)nc2C)C1 585277074 RUMIZQGTYCIICX-IBGZPJMESA-N 358.442 1.982 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 51673847 CEFMTVVZKFKXJY-CVEARBPZSA-N 370.446 1.703 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 55318018 QIWAHESHJVHCMB-MNOVXSKESA-N 358.847 1.538 0 40 FDAB Cn1c(O)nc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1=O 1565522864 UHJGONRRFPTOPW-UHFFFAOYSA-N 371.422 1.058 0 40 FDAB CN1CCN(C[C@@H](O)CN(C)C(=O)Nc2ccccc2C(F)(F)F)CC1 78599498 NJYVGLNAJUFLPB-ZDUSSCGKSA-N 374.407 1.777 0 40 FDAB CCS(=O)(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1 11696990 LKEIDCXOJNTZIQ-UHFFFAOYSA-N 362.459 1.395 0 40 FDAB Cc1ccc(CN2CCN(C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)cc1 17073594 PNCDCWBGQYHWQO-OWSLCNJRSA-N 356.422 1.293 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(CN2CCOCC2)cc1 18084652 YHSOWICYCHATKZ-UHFFFAOYSA-N 364.409 1.747 0 40 FDAB COc1ccc2cc(C)c3nn(CCNC(=O)[C@H]4CCCO4)c(=O)n3c2c1 19126644 PERVXGASSZNEAK-MRXNPFEDSA-N 370.409 1.261 0 40 FDAB CC(C)Cc1cc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)on1 19447503 QDTMJAOHZCGPSH-UHFFFAOYSA-N 362.430 1.744 0 40 FDAB C[C@@H](NC(=O)c1cccn(CC(=O)NC2CCCC2)c1=O)c1ccccn1 19751457 VOAHRSZRXMLZLR-CQSZACIVSA-N 368.437 1.793 0 40 FDAB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 5089820 FRRKPIUAJVMEDW-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cn1 253406902 VFXNHWCZBBTDHG-CYBMUJFWSA-N 356.473 1.082 0 40 FDAB CSc1ncc(C)c(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1888888160 KJWAPEIOBMABKN-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1F 1888906831 LJZWEQBSJMCEBD-UHFFFAOYSA-N 354.393 1.794 0 40 FDAB Cc1cc(N2CCN(c3nc(C)ns3)CC2)nc(N2CCOCC2)n1 1889085067 FYMLNAJCYXIGDS-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB Cc1c(CN2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cnn1C 2037980972 OZOAJNLOKRMJQQ-ZHALLVOQSA-N 358.417 1.351 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 1565542159 XYWBBBBUAMXALQ-GOSISDBHSA-N 371.466 1.896 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)c1csc(C)n1)OC2 1565547415 RCCKMQKPJHIIGP-SNVBAGLBSA-N 363.443 1.186 0 40 FDAB COc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1 4497745 GRPCADXLCRBHCF-LLVKDONJSA-N 352.437 1.841 0 40 FDAB Cc1ccc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 4942169 QPSIBKSRTACAKV-UHFFFAOYSA-N 370.434 1.671 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 5250822 KZGUNRQHEDZZII-UHFFFAOYSA-N 355.394 1.951 0 40 FDAB CCOc1ccc(-n2nnnc2CNC(=O)COc2ccccc2F)cc1 9570503 ALZKEPYBWKYTLO-UHFFFAOYSA-N 371.372 1.895 0 40 FDAB Cc1nnsc1C(=O)Nc1nnc(SCCN2CCOCC2)s1 48984794 VADHDCCBDIAYCQ-UHFFFAOYSA-N 372.501 1.375 0 40 FDAB CN(c1nccc(C(F)(F)F)n1)C1CN(c2ccc3nncn3n2)C1 585592605 KKXXIPLFORNOAR-UHFFFAOYSA-N 350.308 1.258 0 40 FDAB Cn1nc(C(=O)N2CC(Cn3nc(C4CC4)ccc3=O)C2)c2ccccc21 585603232 LJJBHQNXVWJQKU-UHFFFAOYSA-N 363.421 1.780 0 40 FDAB COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4373610 ZIWRIDAJHFQIHW-GFCCVEGCSA-N 368.393 1.721 0 40 FDAB CCOC(=O)c1c(SCC(=O)NCc2ccco2)nc(=O)[nH]c1C 4317607 QOUUCAZDRCGSDM-UHFFFAOYSA-N 351.384 1.257 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@](C)(O)CCSC)c(OC)c1 75157649 PNJVBYLDHZLEJU-MRXNPFEDSA-N 356.444 1.263 0 40 FDAB Cc1cc(C)nc(NNS(=O)(=O)c2cc(C(=O)O)c(O)cc2C)n1 31665106 PXRWJWCJKUCMFR-UHFFFAOYSA-N 352.372 1.111 0 40 FDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCCN3CCOCC3)ccc12 20546896 MMISHCQGVDEWPQ-UHFFFAOYSA-N 374.437 1.627 0 40 FDAB Cn1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 20674778 PPHMOKUQSAVUCS-BQYQJAHWSA-N 360.439 1.857 0 40 FDAB O=c1c(NCc2ccco2)c(NC[C@@H](c2ccco2)N2CCOCC2)c1=O 101693622 WTVJHEWFFQEQAE-AWEZNQCLSA-N 371.393 1.566 0 40 FDAB COC(=O)c1ccc(CN(C)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 32809526 BXLDFBQGZYASOJ-STQMWFEESA-N 356.444 1.259 0 40 FDAB CNC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 102616644 WIEDBYOFJAMOKZ-HNNXBMFYSA-N 363.845 1.426 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)CCNC(=O)NC2CCCCC2)C1 22694134 NGRJBKCGPQXWSX-QGZVFWFLSA-N 368.522 1.481 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NCc1ccc(NC(C)=O)cc1 25374475 HOZBTNUQAWVHNQ-UHFFFAOYSA-N 368.436 1.972 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 79070257 QFIVYRUNWIBJKA-HNNXBMFYSA-N 363.849 1.582 0 40 FDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)NC1CCC(O)CC1 79101204 UONLYSPFAIEJQK-WWDZGPRUSA-N 359.470 1.680 0 40 FDAB COc1ccnc(N2CCN(Cc3nc4ccccc4c(=O)n3C)CC2)c1 104717967 ITLYQQSGJWPPOK-UHFFFAOYSA-N 365.437 1.659 0 40 FDAB CCSC(SCC)[C@@H](NC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](O)CO 4963065 CPZZZXVMPRHIAW-VOAKCMCISA-N 367.533 1.197 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccnc2)C1=O 23743162 FPXQSZGLUNHGHA-GOSISDBHSA-N 356.357 1.304 0 40 FDAB CCN1C(=O)/C(=N\Nc2ncc(F)c(N3CCOCC3)n2)c2ccccc21 6953701 VYNGJDGHEKZPCD-JCMHNJIXSA-N 370.388 1.635 0 40 FDAB COC(=O)c1ccc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)cc1 9043195 KENMZTXEYYWGMX-NSHDSACASA-N 367.361 1.676 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 24765496 JQUWUKHGVSGIBW-UHFFFAOYSA-N 367.453 1.852 0 40 FDAB CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 52314062 FQARRQIEKMRIRE-UHFFFAOYSA-N 360.462 1.511 0 40 FDAB O=C(c1cccc(Nc2ncccn2)c1)N1CCN(c2cnccn2)CC1 25344547 FOXICBCJTSPDEX-UHFFFAOYSA-N 361.409 1.973 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-n2cncn2)nc1 58053864 OSPQKHZYXOKESZ-AWEZNQCLSA-N 372.429 1.678 0 40 FDAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN1CCS(=O)(=O)CC1 58197284 OOFQMMXDPPRNQY-OAHLLOKOSA-N 352.500 1.589 0 40 FDAB CSC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)O 2112530 KCOWOZJFOCQZDQ-ZDUSSCGKSA-N 365.407 1.721 0 40 FDAB biogenic Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCC(C(N)=O)CC3)c12 27801005 SGYPMUHQQRRGRS-UHFFFAOYSA-N 367.409 1.874 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCOCC2)c1 58322724 HHYKVPCAFCCBNH-UHFFFAOYSA-N 356.444 1.788 0 40 FDAB O=C(O)[C@H]1[C@@H](C(=O)O)[C@@]23CCCC2=C2CC[C@]3(C(=O)O)[C@@]3(C(=O)O)C[C@]213 100136164 WDFFTASVTGENSX-REGODTMDSA-N 362.334 1.208 0 40 FDAB in-vitro Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCCN(C)C)cc1 45164393 UFYSZHZLVLIRMZ-KRWDZBQOSA-N 369.531 1.756 0 40 FDAB COCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2260014 REQDOUOVLIWEOO-UHFFFAOYSA-N 371.441 1.970 0 40 FDAB CCCNC(=O)CN1CCC(NC(=O)Cc2n[nH]c3ccccc23)CC1 50576152 CERWXFZWSMCCFP-UHFFFAOYSA-N 357.458 1.212 0 40 FDAB CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 3358094 LQMHOSLDXHLXSC-UHFFFAOYSA-N 365.430 1.918 0 40 FDAB O=C(Nc1nc[nH]n1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 58202384 IPHCXWWBYZAAPY-UHFFFAOYSA-N 363.424 1.597 0 40 FDAB CN1CCc2nc(NC(=O)[C@@H]3CCCN(c4cnccn4)C3)sc2C1 29756508 JZPTXCMLRIREFA-GFCCVEGCSA-N 358.471 1.776 0 40 FDAB O=c1[nH]c(CN2CCN(c3ncccn3)CC2)nc2cc(Cl)ccc12 21586348 YSLYUCLOMZRDRD-UHFFFAOYSA-N 356.817 1.689 0 40 FDAB COc1ccc(NCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1Cl 12917164 HSOAMNJTVCTHFG-UHFFFAOYSA-N 364.789 1.411 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 13095499 JMXSLQINFKWTIV-HZSPNIEDSA-N 358.442 1.379 0 40 FDAB C[C@]1(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CCS(=O)(=O)C1 39983189 GNXVOQJPYKYMPL-INIZCTEOSA-N 370.858 1.774 0 40 FDAB CC(=O)N1CCN(CCN[C@H](c2cccc(F)c2)c2nccn2C)CC1 96003257 IAZGILLPSVQJNQ-GOSISDBHSA-N 359.449 1.402 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 14134949 DJZIQJASWAALNQ-HNNXBMFYSA-N 364.467 1.884 0 40 FDAB Cc1nn2c(nc(N(C)[C@H]3CCS(=O)(=O)C3)c3ccccc32)c1C=O 5523612 RRVYHIYOBKUDIF-LBPRGKRZSA-N 358.423 1.627 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(Cl)c2)c1C(=O)OC 4878122 ULLISINHFSIAQS-UHFFFAOYSA-N 366.761 1.452 0 40 FDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12 96311030 HFMCDQZHRKRYPI-AWEZNQCLSA-N 361.467 1.155 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)OCc1nc(-c2ccccc2)no1 16654690 DTNUQBAUFKZHBA-UHFFFAOYSA-N 363.333 1.585 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(-n2cnnn2)cc1 8312397 MKTWWKJITUQHEE-UHFFFAOYSA-N 369.410 1.427 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306129880 IPNPLEUKSVEYII-OAHLLOKOSA-N 359.455 1.471 0 40 FDAB COC(=O)N[C@H](C(=O)N1CCC(NC(=O)c2cccs2)CC1)C(C)C 95953400 GQXNXZVBSWAJJH-AWEZNQCLSA-N 367.471 1.850 0 40 FDAB O=c1c(Br)cn(Cc2ccccc2)c(=O)n1Cc1ccon1 89841007 PPXDNARITKLLPJ-UHFFFAOYSA-N 362.183 1.857 0 40 FDAB CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)CC1 89943369 BLKDLDKMKLSSJL-HZPDHXFCSA-N 356.470 1.950 0 40 FDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 24686437 JVVRKBBDCZFDTE-LBPRGKRZSA-N 350.362 1.995 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306128716 HIYQVMRRYHAVFJ-HIFRSBDPSA-N 358.467 1.496 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)CC1 408600630 BKODPUMVVZDJGV-UHFFFAOYSA-N 368.455 1.318 0 40 FDAB CN(Cc1cccs1)C(=O)COC(=O)Cn1c(=O)oc2ccccc21 21243495 UNYIKRVIIFYUME-UHFFFAOYSA-N 360.391 1.858 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCC(F)(F)F)cc1 508790210 RKRJQUJBTPZNRB-UHFFFAOYSA-N 366.361 1.578 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217465553 UMZDHQUMKDAHJQ-UHFFFAOYSA-N 364.423 1.922 0 40 FDAB COCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223193206 CMBMBEPIDZDHQF-UHFFFAOYSA-N 370.456 1.414 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2ccc(=O)n(C)n2)C1 86071719 YZBYGBUQCAQAIA-AWEZNQCLSA-N 356.426 1.952 0 40 FDAB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 224916759 HMJQARSYCXMEKE-UHFFFAOYSA-N 367.354 1.877 0 40 FDAB CC(C)C(=O)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225469068 HQEDWKGJHJXIQK-UHFFFAOYSA-N 353.488 1.441 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)Cc1ccccc1 225494688 OFTRYHLDMZXJDR-UHFFFAOYSA-N 353.488 1.050 0 40 FDAB COc1ccc(CNC(=O)N2CC[C@H](Oc3cnccn3)C2)cc1OC 225796605 IBZXPVOOUHNANY-AWEZNQCLSA-N 358.398 1.857 0 40 FDAB CC(=O)N1CCC[C@@H](CNC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 332950731 WYXATGQLQUEGLH-ZFWWWQNUSA-N 365.455 1.073 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 96229240 HSMQQDCVYDJSMU-PBHICJAKSA-N 351.472 1.768 0 40 FDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2=O)n1 96224724 XCAKCIGLJRGNLI-JXFKEZNVSA-N 357.454 1.768 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CCCC1)CC2 96254934 AEFPQIJOMJPXDC-UHFFFAOYSA-N 373.501 1.497 0 40 FDAB COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3scnc3C)C2)O1 96206593 ADWSXFSQKAWKSK-RHSMWYFYSA-N 353.488 1.728 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)cc1 96253022 FBPNLVKXYUQACR-HYVNUMGLSA-N 364.467 1.299 0 40 FDAB COC(=O)C1=NN(c2ccc(C(=O)O)cc2)c2ccccc2S1(=O)=O 96511526 PHZRQPKEHTURNN-UHFFFAOYSA-N 360.347 1.797 0 40 FDAB CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccncn3)C2)OC1 248140350 TXZIETDSJOLZEE-OAHLLOKOSA-N 356.426 1.823 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 253477275 DXLSUBJHLKVYPA-CQSZACIVSA-N 353.440 1.644 0 40 FDAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257350423 XIMHBRWYDJFACW-CQHIQSLNSA-N 366.498 1.796 0 40 FDAB Cn1c(COc2ccccc2C(F)(F)F)nc2c1c(=O)[nH]c(=O)n2C 63535482 WLHZIKYLTSMTKC-UHFFFAOYSA-N 354.288 1.558 0 40 FDAB Cc1cc(-c2cc(C)nc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257282821 OVKWEKLSAYJTSF-CQSZACIVSA-N 350.448 1.427 0 40 FDAB CN(C)S(=O)(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257275435 NPJZFTMTUHTAEC-OAHLLOKOSA-N 363.443 1.400 0 40 FDAB c1ccc(CN2C[C@@H]3COCCN3C3(C2)CN(C2CCOCC2)C3)cc1 604381943 WCGPMGDMLIZDIT-HXUWFJFHSA-N 357.498 1.436 0 40 FDAB biogenic,in-vitro CNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 26432587 QUJWJVYYLVKIPS-LBPRGKRZSA-N 351.362 1.677 0 40 FDAB CCc1ccc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1OC 626580674 TZDFQCVGOMUCGU-AWEZNQCLSA-N 371.459 1.040 0 40 FDAB Cn1cc([C@H]2CCN(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2)cn1 604809573 OQSOREFJCCKGRG-AWEZNQCLSA-N 371.441 1.817 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3F)C2)on1 599311091 DHVYTXWTBMGOTP-SNVBAGLBSA-N 369.374 1.158 0 40 FDAB CCn1cc(CN2CCCN(C(=O)c3ccc(N(C)C)cn3)CC2)cn1 680845464 LNFNEPNQIWRKRE-UHFFFAOYSA-N 356.474 1.712 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 681943933 QEIPDIFMTWVYPG-SFHVURJKSA-N 374.437 1.340 0 40 FDAB COc1c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)[nH]c2ccccc12 1775960167 VVHZWUSINJXEBG-LZWOXQAQSA-N 357.410 1.733 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)NCc1nccnc1-c1ccco1 390828691 BQMQJKLFYQPEJZ-UHFFFAOYSA-N 351.366 1.487 0 40 FDAB O=C1CC[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@]2(O)[C@H](O)CC3=O 575449028 IBJQWUOEZZLWJA-CVVUJQAVSA-N 352.342 1.973 0 40 FDAB in-vitro CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)[C@@H]1Cc3ccccc3O1)CC2 585096430 NDXSFCAXFYGIOD-GUYCJALGSA-N 368.437 1.928 0 40 FDAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)Cc1ccn(C)n1)C2 585110855 QVCYNFZXINSWAC-MRXNPFEDSA-N 357.458 1.732 0 40 FDAB COC[C@]1(CC(=O)NCc2cccc(F)c2F)CN(C(C)=O)CCO1 585281340 WHCKBNWNTMDBKC-KRWDZBQOSA-N 356.369 1.235 0 40 FDAB CO[C@H]1[C@H](C(=O)NCCN2CCc3ccccc32)CC[C@H]1N(C)C(C)=O 585279926 HPYHFWZYUNBADS-QRQLOZEOSA-N 359.470 1.437 0 40 FDAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2cncn2)C1 888106918 COCOGVKVWKHNJL-UHFFFAOYSA-N 362.333 1.497 0 40 FDAB Cc1cc(-n2nc(C)cc2C)nc(N2CCCN(S(C)(=O)=O)CC2)n1 12120882 GEPYVTXXGOWQHO-UHFFFAOYSA-N 364.475 1.059 0 40 FDAB COc1ncc(C2(O)CCN(Cc3ccc4c(c3)CCO4)CC2)c(OC)n1 12186374 RRHMWKQDYUUTQB-UHFFFAOYSA-N 371.437 1.912 0 40 FDAB Cn1cc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)ccc1=O 12326226 NPFSIHYDCGUWMR-UHFFFAOYSA-N 373.428 1.238 0 40 FDAB Cn1ncc2c1CCc1sc(NC(=O)C[C@H]3SC(=O)NC3=O)nc1-2 12327416 VWEAMALDFMCPBH-SECBINFHSA-N 363.424 1.322 0 40 FDAB O=C(c1ccccn1)N1CC[C@H](c2cc(O)nc(N3CCOCC3)n2)C1 12367175 IDHNGDXWIVDUJW-ZDUSSCGKSA-N 355.398 1.044 0 40 FDAB CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 14608518 KWOQLQBUIMUIQX-UHFFFAOYSA-N 356.426 1.198 0 40 FDAB COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16576505 MJZCIIDSBJMJTG-SNVBAGLBSA-N 364.851 1.120 0 40 FDAB C[C@@H]1CCc2c(C(=O)NN3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)csc2C1 17074240 RERZAKSBNXNJPN-DGKAHZFQSA-N 360.435 1.680 0 40 FDAB CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3)C2)c2nccnc21 19021583 RWIQFQHSGSLFJM-KRWDZBQOSA-N 364.453 1.952 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccnc1)CC2 19528310 DLDGGRZRYFOFMG-UHFFFAOYSA-N 351.410 1.679 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccccn3)o2)cnn1C 19553913 UBTZKODMXOIOSB-ZDUSSCGKSA-N 374.426 1.699 0 40 FDAB COc1ccc(CCCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 19554670 IGPRZDWGPXCCFJ-UHFFFAOYSA-N 373.453 1.999 0 40 FDAB C=Cn1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)c(C)n1 19584189 CNMXYVSUXZVTPR-GFCCVEGCSA-N 367.500 1.927 0 40 FDAB CN1CCc2nnc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2CC1 19706374 KFRYBOLFXMLRCY-MRXNPFEDSA-N 357.433 1.811 0 40 FDAB Cc1cccn2cc(C(=O)N3CCO[C@@H](C(=O)N4CCCCC4)C3)nc12 19747156 ZBEXRXYWFZMWCT-MRXNPFEDSA-N 356.426 1.496 0 40 FDAB Cc1nn(C)cc1[C@H](C)NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1 19747428 PWCZWQONAOYKSK-LBPRGKRZSA-N 358.417 1.746 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)ncc1C(=O)N1CCOCC1 19766395 TZKGHIRMAPCAJE-INIZCTEOSA-N 372.469 1.764 0 40 FDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCCCC1 7474921 MWXUXIYALDWRST-ATVHPVEESA-N 369.425 1.972 0 40 FDAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCO 6214085 KUHZFQSCTXICQQ-UHFFFAOYSA-N 364.423 1.365 0 40 FDAB CC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 8282262 HAJNOGJSSLTADQ-RMKNXTFCSA-N 363.391 1.904 0 40 FDAB CC(C)CNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340168 HJDKBIIPXSWJKK-UHFFFAOYSA-N 373.862 1.591 0 40 FDAB Cc1cnc2c(c1SCC(=O)NC1CCCC1)c(=O)n(C)c(=O)n2C 10216353 LKLMDXVJXWPFPH-UHFFFAOYSA-N 362.455 1.092 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 564854160 JVMWZJFIJGERHA-CYBMUJFWSA-N 357.428 1.409 0 40 FDAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 5360670 IIWXYTAERQQALT-JTQLQIEISA-N 352.350 1.846 0 40 FDAB O=C([C@@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCOCC1 1888850277 IHAOVBUBNNAZOJ-LBPRGKRZSA-N 374.210 1.047 0 40 FDAB Cc1nc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c2ccncc2n1 1888890926 CTPAILFLJKBWQI-IRXDYDNUSA-N 373.416 1.955 0 40 FDAB Cc1cc2ncnc(N3CCN(c4ccc(-n5cccn5)nn4)CC3)c2[nH]1 1889205721 ZAVRYYXPSCEEFO-UHFFFAOYSA-N 361.413 1.569 0 40 FDAB Cc1n[nH]c(C)c1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 238821903 CVQIVLKDZTZIDC-UHFFFAOYSA-N 357.801 1.886 0 40 FDAB Cn1nccc1C(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984494 CLQIOGSHILOOSR-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)on1 2037985043 WAJOXGNHKFWTLN-IBGZPJMESA-N 355.394 1.879 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4csnn4)C[C@H]32)cs1 1565544010 AFPAQFBCLIQWDZ-OLZOCXBDSA-N 351.457 1.028 0 40 FDAB OC1(O)[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@@H]1COC2(CCCCC2)O1 4602322 XOOYXQMQBKMNDL-XGUBFFRZSA-N 356.415 1.544 0 40 FDAB COc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4940736 SXLZWBYUAOSCMO-NSHDSACASA-N 360.391 1.867 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(F)cc(F)cc2s1 16847901 QRPBOFDRFPNICB-VIFPVBQESA-N 361.395 1.937 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(C)no2)cc1 40024613 WKEXNERCADBOJU-UHFFFAOYSA-N 354.384 1.265 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)n1CCOC 31816603 NUOGBQZYYWMZAW-CQSZACIVSA-N 358.442 1.257 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O 32672148 GNBNYQFVWRGMCD-LBPRGKRZSA-N 363.377 1.555 0 40 FDAB NC(=O)[C@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1 32878789 WUGYSDZSRDNIKI-QGZVFWFLSA-N 352.346 1.723 0 40 FDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NC1CCN(C(=O)C2CC2)CC1 32908698 NRAUSKFTKPDWRV-UHFFFAOYSA-N 364.471 1.191 0 40 FDAB C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C[C@@H](C)O1 22611927 WFXYHELBTODMLK-JHJVBQTASA-N 363.483 1.958 0 40 FDAB COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422776 XNTPKYSBIWEPKS-UHFFFAOYSA-N 359.407 1.237 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@H](O)COCc2ccccc2)C1 2106144 RNQFBQHVXRAHLH-QYZOEREBSA-N 354.450 1.845 0 40 FDAB CC[C@@]1(c2ccc(NC(=O)c3cccc[n+]3[O-])cc2)CCC(=O)NC1=O 54198263 SDVXXBVFTROOHO-IBGZPJMESA-N 353.378 1.657 0 40 FDAB CCN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(=O)NC(C)C 7789544 INDXFNDZZLOLAU-UHFFFAOYSA-N 357.357 1.793 0 40 FDAB CC(C)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)OCO2 10384188 MGGJSCPEQWKZCX-ZDUSSCGKSA-N 361.398 1.117 0 40 FDAB CCOC(=O)CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1 57995075 IBKPLGBDKILLEO-UHFFFAOYSA-N 351.447 1.862 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)O)cc1 10021479 FJQSUXIAXIMIOL-AWEZNQCLSA-N 368.455 1.338 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCn2nc3ccccn3c2=O)c1C 58174959 HNWCBUFDDHMNIE-UHFFFAOYSA-N 371.397 1.048 0 40 FDAB COc1cc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc(Br)c1O 101675387 JYINNPFIOWEFRR-MRVPVSSYSA-N 368.147 1.133 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N1CCN(c2nccs2)CC1 10270284 IYPKRYRVYUDMLK-UHFFFAOYSA-N 374.466 1.620 0 40 FDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1cccc(OC)c1OC 2287147 WRBCZNCZADVNAO-OAHLLOKOSA-N 364.398 1.600 0 40 FDAB O=C(COc1ccccc1)OCC(=O)N1CCN(c2ccccc2)CC1 10731758 BRXZIENOSZJHOF-UHFFFAOYSA-N 354.406 1.957 0 40 FDAB O=C(CN1CCN(C(=O)c2cnccn2)CC1)Nc1ccccc1Cl 36389961 UKZPXIQRUZYYSN-UHFFFAOYSA-N 359.817 1.527 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 11610582 WPMUNACEGNQINO-INIZCTEOSA-N 357.395 1.179 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)CC1 104346237 UGWQLTCXJABCFV-INIZCTEOSA-N 374.437 1.911 0 40 FDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2cccc(F)c2F)C1 60357329 WREGTDIOQWZHKJ-SNVBAGLBSA-N 351.396 1.305 0 40 FDAB CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1 2617617 PADHEIZCLBAYPF-UHFFFAOYSA-N 355.343 1.071 0 40 FDAB Cc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)cc1C 22997010 HSHOHKOHYZZMLT-QGZVFWFLSA-N 363.458 1.397 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 2652142 NXYZCKOEBXSTSB-UHFFFAOYSA-N 373.409 1.912 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(Cc2nccn2C)CC1 95381588 RISWVAOLNPWGPP-CQSZACIVSA-N 369.469 1.801 0 40 FDAB O=C1Cc2cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc2N1 12987484 VHBLRWUPNGRCLN-LBPRGKRZSA-N 359.411 1.322 0 40 FDAB CCc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 25470034 DUOLEIKHHYDLMN-QGZVFWFLSA-N 369.465 1.544 0 40 FDAB O=C(CN1CCN(c2cccc(O)c2)CC1)Nc1ccc2c(c1)OCCO2 39198954 KSHWPGLQYQFRLT-UHFFFAOYSA-N 369.421 1.924 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1Cc1cnn(C)c1 306134676 NVDGMZYOJWAZDV-CQSZACIVSA-N 368.441 1.645 0 40 FDAB CCCCN(CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 14138193 BHGSMALTWDIJKU-ZDUSSCGKSA-N 350.440 1.529 0 40 FDAB CCC(CO)(CO)NC[C@H](O)COc1ccc(OC)cc1C(C)(C)C 14201896 DKZASWLWBQQVQI-AWEZNQCLSA-N 355.475 1.455 0 40 FDAB C[C@H](NCc1cc(=O)n2ccccc2n1)c1cccc(NS(C)(=O)=O)c1 96012813 LVPPZAHHABOPKV-ZDUSSCGKSA-N 372.450 1.917 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1 19603874 UIQYACBRYIDLTJ-UHFFFAOYSA-N 373.438 1.346 0 40 FDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccc2c(c1)OCO2 96114153 UUZLWGLDIRJFNK-UHFFFAOYSA-N 352.350 1.259 0 40 FDAB biogenic O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cccc(F)c1 5870754 AXGGNTPIIQCFMD-UHFFFAOYSA-N 355.325 1.755 0 40 FDAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4999011 ZFLYACGIVMBZTI-UHFFFAOYSA-N 359.835 1.056 0 40 FDAB CCCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)n[nH]c1=O 7293461 BWKCUTWGBRHIPT-LLVKDONJSA-N 364.427 1.030 0 40 FDAB Cc1cccc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 306137125 QMBUPEUMJIILII-RDJZCZTQSA-N 367.453 1.138 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccc(F)cc1 7807816 XUGFNNJEFBZDRT-UHFFFAOYSA-N 367.380 1.514 0 40 FDAB Cc1ccc2[nH]c(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc2c1 7942442 VHQKMPUYTSZEGN-SECBINFHSA-N 373.438 1.214 0 40 FDAB COc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N(C)C 17325381 SFSBBVIHGWCRLR-RYUDHWBXSA-N 356.444 1.195 0 40 FDAB COC(=O)C[C@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)C1CC1 75109604 GNTORVJYOXEBPV-AWEZNQCLSA-N 354.428 1.573 0 40 FDAB Cc1csc(CN2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)n1 306124618 BUSMYTYBNVDGDQ-GFCCVEGCSA-N 355.489 1.144 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)Cn2ncc3ccccc3c2=O)n1 61721751 MXCACYYWWSEIJG-UHFFFAOYSA-N 372.406 1.597 0 40 FDAB C[C@H]1CC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)N1 26780231 AKIJNLMQHHSTSZ-ONXXMXGDSA-N 370.544 1.752 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 70836744 MAPWHHYQQGZPFS-OAHLLOKOSA-N 352.387 1.661 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)c1 72378815 MRLRFYLVCRMVMJ-AWEZNQCLSA-N 372.454 1.569 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326392 RMTINRJJBGOFRN-HXPMCKFVSA-N 371.441 1.003 0 40 FDAB COc1ccc(S(=O)(=O)c2cnc(N3CCSCC3)nc2N)cc1 71772043 MJVUDIOLQLXMER-UHFFFAOYSA-N 366.468 1.453 0 40 FDAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 70635753 CSMBAMXQVNXEPX-GFCCVEGCSA-N 355.437 1.840 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1 30495688 NUXWKTOAJBNWQV-CQSZACIVSA-N 368.436 1.136 0 40 FDAB CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3)c3nccnc23)C1 72391629 YXKCHTSGWLZSGK-MRXNPFEDSA-N 364.453 1.604 0 40 FDAB Cc1nc(NCC2(O)CCS(=O)(=O)CC2)c2c(C)c(C)sc2n1 568612950 GSAWYJZALZMHJV-UHFFFAOYSA-N 355.485 1.968 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccccc1 223051464 WWNRPJNPGOYMNW-LLVKDONJSA-N 368.440 1.248 0 40 FDAB Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239026 JYRBKEDWESCMKY-LJQANCHMSA-N 354.410 1.778 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccsc3)C2)CN1c1cccnc1 96051334 SFZDNRMTXHCZEE-GOSISDBHSA-N 359.451 1.778 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 96160928 QAKLIIYSWIKSRX-VQIMIIECSA-N 354.410 1.962 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1cnn(C)c1)C2 96238038 JWACLJJFMDEBME-LJQANCHMSA-N 357.433 1.482 0 40 FDAB O=S(=O)(NC[C@H]1CN(CC2CC2)Cc2ccnn2C1)c1ccccc1 247341854 SKLMIOAFMMTHAJ-INIZCTEOSA-N 360.483 1.703 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1 255189904 SWJZYMIMFABQEN-AWEZNQCLSA-N 366.464 1.728 0 40 FDAB Cc1ccc(C(C)(C)C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cc1 257266506 MDHAXAQMXXDDQB-HXUWFJFHSA-N 354.454 1.820 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 257253465 JZAWXTKGOINDPA-IRXDYDNUSA-N 356.426 1.193 0 40 FDAB CO[C@@]12C=C[C@@]3(C[C@@H]1CO)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 253504723 KSIZHHFJCGTAKZ-LIYFOHPBSA-N 355.434 1.605 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C[C@H](Cc2ccccn2)C1 257298186 RKNVQNHSAWHQRK-INIZCTEOSA-N 373.478 1.658 0 40 FDAB O=C(O)CNC(=O)c1ccc(NCc2ncnn2-c2ccccc2)cc1 1608755530 AVKXOVPKXLWSAJ-UHFFFAOYSA-N 351.366 1.694 0 40 FDAB O=C(NS(=O)(=O)C(F)F)c1ccc2c(=O)n3c(nc2c1)CCCCC3 1115857741 URVSCBHSFLBFGF-UHFFFAOYSA-N 371.365 1.405 0 40 FDAB CCOc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1 643771187 KXWPHSYBMCPQLV-XYPHTWIQSA-N 354.472 1.351 0 40 FDAB CN(C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 664523085 YTYSTZVTNSXICD-IAGOWNOFSA-N 361.490 1.413 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)NCCN2C(=O)c3cccnc3C2=O)cc1 390828441 BBEBHRUFOLTJAK-XYOKQWHBSA-N 371.418 1.576 0 40 FDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)[C@H]1CCc2ccccc2O1 390828590 BHXCMINGLGLQGJ-GOEBONIOSA-N 364.409 1.213 0 40 FDAB O=C(O)CCCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 575423124 YGQNGJSCEMDBKC-ZDUSSCGKSA-N 356.469 1.737 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4c(C)noc4C)CC3)[C@H]2C1 585106133 PSUAVCZMJCIUEP-CABCVRRESA-N 360.458 1.354 0 40 FDAB CCc1cnc(C(=O)N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)nc1 585278016 OWRMRVAURLULHY-IBGZPJMESA-N 359.401 1.624 0 40 FDAB O=C(C[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ccnn21)NCc1ccco1 585095682 BGUAZNSKRABXDH-CYBMUJFWSA-N 354.370 1.103 0 40 FDAB O=C1COc2ccc(S(=O)(=O)NC(=O)c3cc(F)ccc3F)cc2N1 585272086 LDHKTVJVNPKBLZ-UHFFFAOYSA-N 368.317 1.414 0 40 FDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cccn2C1 585099247 YTOUKTRURCMBDQ-HNNXBMFYSA-N 361.467 1.753 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 585291954 HMQQWLOUUCZURO-UKINESCASA-N 366.469 2.439 0 40 FDAB Cc1ccc(N2CCC3(CCN(C(=O)Cc4nc(C)no4)CC3)CC2)nn1 585099853 JWVVNXCVZYIAKI-UHFFFAOYSA-N 370.457 1.928 0 40 FDAB CC(C)c1nc(S(=O)(=O)N2CCCN([C@H]3CCSC3)CC2)cn1C 1565522132 JAEJWUHMXBQTEL-AWEZNQCLSA-N 372.560 1.745 0 40 FDAB CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 75148615 KHAOQOOXRATJIS-MNOVXSKESA-N 368.352 1.854 0 40 FDAB N[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1)Cc1ccccc1 582354737 DVLHFQLPKUIRPM-UYAOXDASSA-N 365.477 1.953 0 40 FDAB O=c1cc2c(nn1CC1CCN(c3ccc4nncn4n3)CC1)CCC2 585502576 UWKUWFGTNBHNGS-UHFFFAOYSA-N 351.414 1.086 0 40 FDAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)c1 5409533 HVMVMTFKUNHCDY-UHFFFAOYSA-N 357.410 1.940 0 40 FDAB Cc1nc(NC2CCN(CC(=O)NC3CCCCC3)CC2)[nH]c(=O)c1C 12113676 VJGYZBBBFMMQAQ-UHFFFAOYSA-N 361.490 1.712 0 40 FDAB COc1cccc(C(=O)N2CCC[C@@H]2Cn2nnc3c(O)nc(C)nc32)c1 12337175 LTQLBSBPDMKBJY-CYBMUJFWSA-N 368.397 1.549 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=S)N(C)[C@@]1(O)C(F)(F)F 12699523 XHFUEAPNRAWBBO-MJVIPROJSA-N 362.373 1.978 0 40 FDAB O=C(c1cccnc1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267470 CEBKXTGVJUKXGE-UHFFFAOYSA-N 364.405 1.459 0 40 FDAB O=C1CNC(=S)N1Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 14141147 JMKPVFNKBZZXTB-UHFFFAOYSA-N 353.469 1.078 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1 14506629 IUEYGKAZIGBNLI-UHFFFAOYSA-N 351.472 1.897 0 40 FDAB CC(=O)[C@H](SC1=NN1c1cc(C)nc(N)n1)C(=O)Nc1ccccc1 16850189 PROUIPLHNRNGAQ-JHAYDQECSA-N 356.411 1.788 0 40 FDAB CN(CC1(C)COC1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 19654839 WONPZGPWSJEGPL-ZDUSSCGKSA-N 360.410 1.306 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2 19661977 LXPPLPXRCKKELL-GFCCVEGCSA-N 372.391 1.908 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O 8334154 AZPQQOMHIDQTCM-JYRVWZFOSA-N 351.428 1.441 0 40 FDAB Cn1c(=O)c2c(nc(SC(=O)c3ccc(Cl)cc3)n2C)n(C)c1=O 5613241 BPHHLXDYUSVQLL-UHFFFAOYSA-N 364.814 1.557 0 40 FDAB Cn1ccc2c(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)ncnc21 1888906462 ICXBGIPOQZMMKT-HOTGVXAUSA-N 361.405 1.590 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1cocn1 2055734907 XCRIHLJRUIWAMU-SNVBAGLBSA-N 356.338 1.473 0 40 FDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ncnc(C)c2C)n1 2055759332 MOZLZVRSWQOBNS-IRXDYDNUSA-N 365.437 1.812 0 40 FDAB CCc1cnc(N2CCO[C@@]3(CCCN(C(=O)[C@H]4CCOC4)CC3)C2)nc1 2055793237 DJFONSXGMVABAJ-FXAWDEMLSA-N 374.485 1.663 0 40 FDAB CCN1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1 22465345 RWUAJACIFLLRBN-LJQANCHMSA-N 374.510 1.739 0 40 FDAB CN(C(=O)c1cc[nH]n1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593412 BXHXWKIPTNTBMH-UHFFFAOYSA-N 352.402 1.076 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCCC(=O)Nc1ccccn1 40154468 CYMBVGMBGFOSQN-UHFFFAOYSA-N 353.444 1.274 0 40 FDAB O=C(NCCc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(O)c1 40286271 HEQSMVIZQRZMDB-UHFFFAOYSA-N 352.350 1.740 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(Cn2cncn2)cc1 31538113 CDQZLXLLLXGIAM-UHFFFAOYSA-N 352.442 1.926 0 40 FDAB O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(c2ccccn2)CC1 31810342 WCRQMIYRSQDEAT-UHFFFAOYSA-N 353.361 1.159 0 40 FDAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(C(C)C)c1=O 20611216 BOVKLGFQEVHRFW-MRXNPFEDSA-N 370.409 1.548 0 40 FDAB biogenic COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccccc2OC)C1=O 101368779 VKRYTNUKJAMQPW-PBMBQWDMSA-N 360.366 1.635 0 40 FDAB COc1ccccc1OCC(=O)N1CCN(CCc2ccccn2)CC1 21149653 DNTGGVFRAIOTEI-UHFFFAOYSA-N 355.438 1.856 0 40 FDAB O[C@H](CN1CCN(c2nnnn2-c2ccccc2)CC1)c1cccc(F)c1 52580016 XZGRHWXDUQLQEY-GOSISDBHSA-N 368.416 1.657 0 40 FDAB Cc1ccc([C@@H](O)CNC(=O)Cn2cc(Br)ccc2=O)cc1 41455425 ZKIKNUIGMHBLQM-AWEZNQCLSA-N 365.227 1.769 0 40 FDAB COc1ccccc1N1CCN(CCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 641742 AAKOYVKAXOHXBZ-KRWDZBQOSA-N 372.469 1.634 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2oc(=O)ccc2c1 103604282 SAWAUXKCVFVOSI-ZIAGYGMSSA-N 354.362 1.907 0 40 FDAB COc1ccc(CCNC(=O)CNc2ccccc2C(N)=O)cc1OC 22802201 YTRYSEGHNVTXSP-UHFFFAOYSA-N 357.410 1.574 0 40 FDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 828010 NMCVORJCQVTKEP-UHFFFAOYSA-N 355.442 1.902 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 107233383 LGNABBKKRBXVGH-HKUYNNGSSA-N 371.462 1.799 0 40 FDAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)NCC(F)(F)F)c1 12553667 XDELLOYHKZKWBF-UHFFFAOYSA-N 373.360 1.996 0 40 FDAB COc1ccc(OC[C@H](O)CN2CCN(Cc3ccccn3)CC2)cc1 25302620 ICQYWSZYCNTWAG-GOSISDBHSA-N 357.454 1.648 0 40 FDAB COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1OC 3237707 GCWJCXFLHMTWLE-UHFFFAOYSA-N 373.361 1.906 0 40 FDAB CN(C)CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1826799 LZCUMWDMGKNNJY-SFHVURJKSA-N 365.433 1.572 0 40 FDAB O=C(CNC(=O)c1ccc(OCC(F)(F)F)nc1)NCc1ccncc1 58014451 AVELXUAFTPBDNP-UHFFFAOYSA-N 368.315 1.464 0 40 FDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2ccccn2)n[nH]1 48288952 NIBFOHUTMFZWJT-UHFFFAOYSA-N 362.353 1.883 0 40 FDAB COCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1Cl 58174626 MHQGOSSPBNOWDK-UHFFFAOYSA-N 354.790 1.843 0 40 FDAB Cc1csc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)n1 100128665 RGAMTQMIBSZUEU-CHWSQXEVSA-N 361.471 1.638 0 40 FDAB O=C1CC2(CCN(C(=O)c3ccncn3)CC2)CN1Cc1cccnc1 108535555 WJRHCPBMYBYZSY-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(F)cc1 101128032 VUPGBLWVWFMDOK-PASDCYSWSA-N 366.385 1.992 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(F)cc1 100128496 OBGYNNSMDUASCZ-IRXDYDNUSA-N 372.444 1.690 0 40 FDAB COC[C@H](C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10371297 CJSSYQDQADRKII-ZDUSSCGKSA-N 356.488 1.901 0 40 FDAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 22409420 BHZHCOXGOGKLDS-NSHDSACASA-N 352.437 1.474 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNc2ncnc3ccccc23)C[C@@H](C)O1 29625476 FFDYHDYJVMVTKN-CHWSQXEVSA-N 350.444 1.481 0 40 FDAB Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 26884998 QZEHEFVVZYZXDF-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB CN(C)C(=O)Cc1ccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 48443071 MWBMSXHRYIWLDD-UHFFFAOYSA-N 372.469 1.840 0 40 FDAB O=C(CCn1cncn1)Nn1cnc2scc(-c3ccccc3)c2c1=O 12934733 DCWMFSKECJQIAL-UHFFFAOYSA-N 366.406 1.877 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2CCCC2)CC1=O 12985921 IWOLPVSOTGDHEO-ZIAGYGMSSA-N 360.410 1.602 0 40 FDAB O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nc(-c2ccc(F)cc2)no1 19608222 DPBQORNSGBGHGF-JTQLQIEISA-N 354.359 1.744 0 40 FDAB CCN(C(=O)CSc1nnc(-c2ccco2)o1)[C@H]1CCS(=O)(=O)C1 6654787 UFJGTLQYCJCLRT-JTQLQIEISA-N 371.440 1.457 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2nccs2)cc1OC 9313810 CNXLDAJFAOUWPZ-UHFFFAOYSA-N 357.413 1.077 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)C1=CCCC1)CC2 306133317 MIEWNIISXLBZBS-OAHLLOKOSA-N 356.488 1.243 0 40 FDAB Cc1cccc(COC[C@H]2CCS(=O)(=O)C23CN(C(=O)N(C)C)C3)n1 306129087 HUCMNDWBYZKOEO-CQSZACIVSA-N 367.471 1.077 0 40 FDAB CN(CC(=O)NC1CC1)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 7113815 LANIHXGWWMLCTA-UHFFFAOYSA-N 364.829 1.652 0 40 FDAB O=C(NCCc1ccc(Cl)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 7973647 RLRWBJWUPTZYIY-UHFFFAOYSA-N 365.842 1.496 0 40 FDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(C(=O)C2CC2)CC1 8262605 ZYTIGSAUIJCOGM-UHFFFAOYSA-N 357.410 1.456 0 40 FDAB Cc1cc(Oc2ccccc2)nc(O[C@@H]2C=CC(OCC(N)=O)=NN2)n1 26504861 LSMQEOLISAWBEA-OAHLLOKOSA-N 355.354 1.257 0 40 FDAB O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCOCC1 17029069 IVRNYEFEYREZAO-UHFFFAOYSA-N 371.437 1.355 0 40 FDAB Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 27971136 MDWZJOLNEKNRRX-UHFFFAOYSA-N 363.424 1.930 0 40 FDAB Cn1ccc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)n1 18949058 YDLIDIVXOCLHPJ-LBPRGKRZSA-N 373.438 1.220 0 40 FDAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nn2cnnc2s1 9613676 OACCKGBINGHUKO-UHFFFAOYSA-N 350.791 1.598 0 40 FDAB COc1ccc(C(=O)NCC(=O)NCCc2nc(C)oc2C)cc1OC 89547997 JOZXNEKIVAOHDB-UHFFFAOYSA-N 361.398 1.397 0 40 FDAB CNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 20503123 KCNZRWXROXRPSU-ZDUSSCGKSA-N 371.441 1.138 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 32090021 CXJIVRRZVWZPIO-UHFFFAOYSA-N 371.462 1.969 0 40 FDAB O=C(CN1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1)N1CCOCC1 72378722 BYAPBKHQOWTTTL-MRXNPFEDSA-N 355.442 1.306 0 40 FDAB CCN1C[C@@H](C)N(C(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C[C@H]1C 1578214885 FXKCJFQFLFAVQU-HUUCEWRRSA-N 356.474 1.967 0 40 FDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 223291922 FPOKAOUDUNRICV-FMIVXFBMSA-N 360.435 1.933 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCc3ccccc32)C1 46798859 CBYOGLXLRACHDH-GDBMZVCRSA-N 352.456 1.783 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(C(N)=O)cc2)C1 89212876 WIAIEGAUZSFWEY-AWEZNQCLSA-N 368.455 1.959 0 40 FDAB COc1ccc(CNC(=O)c2c(O)n3cc(C)ccc3nc2=O)cc1OC 226822259 SRCRKIUIOCZAHB-UHFFFAOYSA-N 369.377 1.656 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccncc1 40267497 ISMIXNBLFVYAAA-UHFFFAOYSA-N 370.428 1.966 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261694 OOWPJLBBVMTXAW-JKIFEVAISA-N 370.519 1.180 0 40 FDAB Cc1occc1C(=O)N1CCn2c(CN3CCN(C)CC3)cnc2[C@@H]1C 96062024 HRTCYXRUGGEJNW-AWEZNQCLSA-N 357.458 1.749 0 40 FDAB O=C1CN(C(=O)COc2ccc3c(c2)CCNC3=O)c2ccccc2N1 580862323 RGSCETLHFFTNKL-UHFFFAOYSA-N 351.362 1.337 0 40 FDAB O=C([C@H]1CCOC1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239963 ODPIRLSBNTUZFA-SFHVURJKSA-N 359.470 1.559 0 40 FDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 248053814 NYAAHGRDBOFCAU-APWZRJJASA-N 353.426 1.772 0 40 FDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(OC)ccc1Cl)C2 247912128 YLYQTSUABKPYHK-LLVKDONJSA-N 373.858 1.624 0 40 FDAB Cc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cc1 257298250 RKWJRLUBCAQHHL-QZTJIDSGSA-N 370.405 1.756 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cncs3)CC2)OC[C@]1(C)O 257213345 CHEHNKKXSXERKE-HOTGVXAUSA-N 353.488 1.496 0 40 FDAB NC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)C2CCOCC2)C1 257244034 IJOOBMFMNWBLAY-LLVKDONJSA-N 360.439 1.533 0 40 FDAB CN(C)c1nc(C2CCN(C(=O)c3cnccn3)CC2)cn2nccc12 257287650 PQYQMBJUERHQAS-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB CO[C@@H]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)[C@H]1O 257252915 JWQWKXFUFCVBDX-BFYDXBDKSA-N 366.433 1.308 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3C(=O)C3CCOCC3)ccnc12 257322958 WIFWHQHWZIMKDI-HNNXBMFYSA-N 371.441 1.521 0 40 FDAB COc1ccc(CN2CCN(S(=O)(=O)c3ccnn3C)CC2)cc1F 274189363 RCSPMKWQHNRFQN-UHFFFAOYSA-N 368.434 1.074 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@H]32)CC1 659191049 WISJWMNRDUZCOF-OWCLPIDISA-N 365.474 1.872 0 40 FDAB CC[C@H]1OC2(CCN(C(=O)c3cc4c(nc3O)CCCC4)CC2)NC1=O 1615591933 PIMDYYRQTPNIMD-OAHLLOKOSA-N 359.426 1.523 0 40 FDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccnc(F)c1)CC2 585113571 XGEJMTXHHOFNMY-ZDUSSCGKSA-N 361.417 1.853 0 40 FDAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)C3CC(O)C3)CC2)c2ccccc21 585109789 UNJUQGPKIQJCTM-MQBCKMQZSA-N 358.438 1.435 0 40 FDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 585105984 ABXAFCYKCYBRNF-MSOLQXFVSA-N 355.482 1.995 0 40 FDAB CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290837 HLSGFWNEOYZECM-ALHDMTEFSA-N 374.481 1.694 0 40 FDAB Cc1oc(-c2ccccc2)c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1C 547710903 HDIKOLIRIQKTRA-AWEZNQCLSA-N 353.378 1.940 0 40 FDAB COc1ccc(N2Cc3nn(Cc4c(C)noc4C)c(=O)n3C2=O)cc1 1547200800 GSBCGDQOWTVOET-UHFFFAOYSA-N 355.354 1.695 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)NCc1ccc(F)cc1 12114503 OBGYNNSMDUASCZ-XEWABKELSA-N 372.444 1.690 0 40 FDAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nonc1C 12182410 MTKIBAOSYALIMO-GFCCVEGCSA-N 373.438 1.801 0 40 FDAB CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)N1CCCCC1 12391836 VRAHYCWKNMKZEH-UHFFFAOYSA-N 363.483 1.973 0 40 FDAB Cc1cc(NC(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)no1 16321399 JPTAWQKXQUSHJX-UHFFFAOYSA-N 370.394 1.608 0 40 FDAB COc1ccc(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 17011610 SUHUXNHNBYMJNY-AWEZNQCLSA-N 363.439 1.741 0 40 FDAB Cc1cccc(C2(CNC(=O)CCCN3C(=O)CNC3=O)CCOCC2)c1 19234536 IVLRIPNUBBSUDO-UHFFFAOYSA-N 373.453 1.491 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)[nH]c(=O)c2C1 19463405 VIPNPUPGAQMCFP-AXAPSJFSSA-N 358.442 1.384 0 40 FDAB CCn1ccc(NC(=O)C2CN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19747222 WIUQUBXEKLCXPO-UHFFFAOYSA-N 352.391 1.301 0 40 FDAB CC(C)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 13371242 MQTVWAZNHTVONC-RYUDHWBXSA-N 351.515 1.323 0 40 FDAB Cn1nccc1N1CCC[C@@H](NC(=O)c2cccnc2N2CCCC2)C1=O 682956784 IVBGYBCMDQWVKD-OAHLLOKOSA-N 368.441 1.341 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)CC1 3333946 GVDGCTASNFETHZ-KRWDZBQOSA-N 368.437 1.889 0 40 FDAB O=C(OCc1cccc(COC(=O)C2=COCCO2)c1)C1=COCCO1 4871311 CKCFTRUMMNEJRL-UHFFFAOYSA-N 362.334 1.549 0 40 FDAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccncc1)C2=O 8024417 CTPGKYIYWQYLDD-ORAYPTAESA-N 358.442 1.835 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 8013108 FHTGRCQHWQXURR-UHFFFAOYSA-N 367.361 1.490 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)CCCc3sccc32)CC1 1889148924 KGSKXVQXWGJBOP-INIZCTEOSA-N 372.512 1.060 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 240122332 VVSILPIHCMHNLR-JSRQGNBESA-N 351.399 1.116 0 40 FDAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 238946960 WNBLXHNNVANHFT-AWEZNQCLSA-N 364.423 1.307 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)CCc1ccccc1)CCO2 2037985451 KKCSZKQCQPBWOD-HXUWFJFHSA-N 360.454 1.484 0 40 FDAB CCc1cnc(N2C[C@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)nc1 2087043860 TZNNIXPPMNZLNK-HUUCEWRRSA-N 364.457 1.771 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)/C=C/c3cccs3)CC[C@H]21 1565555077 QKHZINPJMMBVFO-DPOFCPOHSA-N 370.496 1.413 0 40 FDAB CC1CCC(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCO4)O[C@@H]3C2)CC1 1565543309 NFGNMDPZOACFJV-IRKLFDGPSA-N 350.459 1.983 0 40 FDAB CC(C)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 11796300 IYNJELNZISBDDG-UHFFFAOYSA-N 371.478 1.440 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)cc2)cc1C 17052287 TYWSUOZMGGWRDC-UHFFFAOYSA-N 373.438 1.766 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)cn1 2055751256 AUTJHQAEHJYXEF-HXUWFJFHSA-N 367.453 1.960 0 40 FDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cocn2)C1 2055750956 QSWXHYDZVMEERT-LJQANCHMSA-N 372.425 1.524 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccccn4)cc1c32 101078869 QAQUPSMTXGKRRM-GFCCVEGCSA-N 364.405 1.733 0 40 FDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2SC)CC1 43941846 XZIYPLHCIQKEED-UHFFFAOYSA-N 365.455 1.942 0 40 FDAB Cc1cc2n(CCNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccn2n1 575610775 YPVWZYGPLICSFW-AWEZNQCLSA-N 369.400 1.753 0 40 FDAB Cn1cccc1-c1noc(CNC(=O)Cn2c(=O)oc3ccccc32)n1 225765717 FWUHPWWMJITMAZ-UHFFFAOYSA-N 353.338 1.299 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19333413 GPYLJJIMVWVGKQ-AWEZNQCLSA-N 368.416 1.401 0 40 FDAB CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O 39957178 VDXOCUMLSFQTRW-XNTOXWQXSA-N 374.433 1.882 0 40 FDAB in-vitro Cc1noc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 40039718 DFESXFCHSAJORP-UHFFFAOYSA-N 362.864 1.599 0 40 FDAB COc1ccc(C(=O)NCC(=O)NCc2ccc(-n3cccn3)nc2)cc1 40040736 FSEDCCWWNDKUBL-UHFFFAOYSA-N 365.393 1.322 0 40 FDAB COc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 20044891 PYOHCHDXCGQCEV-INIZCTEOSA-N 362.407 1.861 0 40 FDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40107220 WPXCASGHBWQJSG-GOSISDBHSA-N 368.437 1.265 0 40 FDAB Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c2c(O)nn(C)c2n1 31782011 YIFHLYVYWIWGSH-UHFFFAOYSA-N 354.366 1.983 0 40 FDAB CN1C(=O)C[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccc1 20735230 QVWLAADHGDLHTR-WBVHZDCISA-N 373.434 1.492 0 40 FDAB O=c1c(NCc2ccccn2)c(NC[C@H]2COc3ccccc3O2)c1=O 101691270 XUHZQJWDZZQDGO-ZDUSSCGKSA-N 351.362 1.542 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(Cc2nccn2Cc2ccccc2)CC1 32804000 NNGSNXUOTNTJDU-GOSISDBHSA-N 354.454 1.755 0 40 FDAB NC(=O)CCNC(=O)c1cccc(NC(=O)c2cccc3cn[nH]c23)c1 103112783 SERMJRWXMMPHHI-UHFFFAOYSA-N 351.366 1.420 0 40 FDAB COC(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 22191060 KHNDQJXYPCWBQN-GFCCVEGCSA-N 372.377 1.284 0 40 FDAB C[C@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 643203 DAEYIVCTQUFNTM-NHYWBVRUSA-N 369.373 1.919 0 40 FDAB endogenous,in-man O=C(COC(=O)c1cc(Br)ccc1O)NC(=O)c1ccco1 12451492 ZIRQNVIRWODBMQ-UHFFFAOYSA-N 368.139 1.861 0 40 FDAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@]3(C)C[C@H]3O[C@]312 783548 WQMGIEOKPKMWEY-OOMDKVSHSA-N 358.434 1.718 0 40 FDAB COC(=O)COc1ccc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 814161 QLTJORFOFDAVSP-AWEZNQCLSA-N 368.773 1.693 0 40 FDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCOC 2938997 PXMSMMXIYJQLRG-GDBMZVCRSA-N 356.488 1.841 0 40 FDAB Cc1ccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cn1 23442867 COWOPDNQOLJTDE-LJQANCHMSA-N 352.394 1.978 0 40 FDAB COC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12597722 VGNYJJDSPSZFOB-UHFFFAOYSA-N 365.411 1.071 0 40 FDAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(c2cnccn2)CC1 25344018 BMWLIHOGDZXUAU-INIZCTEOSA-N 368.437 1.997 0 40 FDAB CN(CC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)c1ccco1 56991995 RNVRCSCACGVWPQ-UHFFFAOYSA-N 370.331 1.994 0 40 FDAB O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n[nH]1 35378113 SOFALOCDAVRNCR-UHFFFAOYSA-N 355.803 1.111 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H](C)C2)c1=O 44841054 OTKKLUAIMRLFDJ-OAHLLOKOSA-N 373.453 1.458 0 40 FDAB Cn1nccc1CN1CCC2(CC1)C[C@H](NC(=O)c1ccco1)CCO2 108534390 HVJUTAUINJPEFQ-OAHLLOKOSA-N 358.442 1.957 0 40 FDAB CCc1ccc(CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)s1 58223285 UGUMCMHGNRSOHR-UHFFFAOYSA-N 370.500 1.337 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)CSCc1ccncc1 58377524 RENUCEKYKZLBAE-GFCCVEGCSA-N 361.389 1.984 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)Cn1nnc(-c2ccccc2)n1 57915180 UMSNJSBEIUVHLC-UHFFFAOYSA-N 364.409 1.657 0 40 FDAB COc1ccc(-n2ccnc2SCC(=O)N2CCN(C(C)=O)CC2)cc1 10873523 FUVQACUTMZVGRS-UHFFFAOYSA-N 374.466 1.664 0 40 FDAB Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(O)cc4)C(=O)[C@H]23)cc1 100355486 DSLIZGSJJQCKKF-PBHICJAKSA-N 350.330 1.828 0 40 FDAB CCOC(=O)[C@H]1CCCC[C@@H]1N(CC(=O)NC(C)C)CC(=O)NC(C)C 95457039 XNAAZMDVISVDLL-HOTGVXAUSA-N 369.506 1.460 0 40 FDAB CCCc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 12997278 XJBRWGLMIFIHIN-HNNXBMFYSA-N 357.497 1.979 0 40 FDAB CCc1ccc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 6370382 VWCWPEIHBBFWQX-UHFFFAOYSA-N 370.409 1.243 0 40 FDAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC(=O)O 6624240 RVLILLHLPRSZDV-ZDUSSCGKSA-N 373.413 1.181 0 40 FDAB biogenic CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6651868 WBXNYWPNMYJALZ-LBPRGKRZSA-N 367.361 1.128 0 40 FDAB O=C(CN1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 7338956 CYKNGQVBXHRTIP-UHFFFAOYSA-N 369.462 1.145 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 8744706 XZNBATSTNMFBSN-NSHDSACASA-N 363.443 1.064 0 40 FDAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 70715074 IULKKMJNMNRVLM-QGZVFWFLSA-N 355.438 1.785 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccnn1C)C2 306123653 ATDOUNSUVLHVIQ-CQSZACIVSA-N 373.432 1.570 0 40 FDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(N(C)C)cc3)C(=O)[C@@H]12 409294101 NNBHAAXXLJKPPI-YYAJDYIMSA-N 356.378 1.129 0 40 FDAB O=C(NC[C@H](Oc1ccc(F)cc1)C(=O)O)c1noc2c1COCC2 527595222 PAVSMIRAOPFCCO-ZDUSSCGKSA-N 350.302 1.148 0 40 FDAB O=C(CC[C@H]1CCOC1)N1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 306135939 PEZSWQDQZYJGEW-XOBRGWDASA-N 372.469 1.868 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1 409193094 BOVDUQFCJKNVSF-CYBMUJFWSA-N 358.460 1.295 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@H](O)c2ccccc2)CC1 30002890 MCAOWMVVBNDNHX-KRWDZBQOSA-N 354.406 1.907 0 40 FDAB O=C(c1cccnc1)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1 72348132 SXCKJPBCAPIHCX-UHFFFAOYSA-N 352.442 1.430 0 40 FDAB O=C1CCCN1c1cncc(CNS(=O)(=O)c2ccc3c(c2)CCO3)c1 606440602 GPNHBPWSQKUIFB-UHFFFAOYSA-N 373.434 1.622 0 40 FDAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218504989 NQRJUERJIVZLHG-ZOBUZTSGSA-N 350.367 1.829 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 33649047 CWWJUAKVGLRTRI-CQSZACIVSA-N 362.451 1.987 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 48009699 QNIDXSMQSKRWDO-UHFFFAOYSA-N 350.799 1.040 0 40 FDAB COc1ccc(C(N)=O)c(OCC(=O)NCCc2ccccc2OC)c1 48231398 LRYZGGDMJQUGOF-UHFFFAOYSA-N 358.394 1.540 0 40 FDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1 223020153 PEPUIFKQRWVLGQ-UHFFFAOYSA-N 368.436 1.646 0 40 FDAB NC(=S)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40395856 DNYRTVDGUCDTQB-UHFFFAOYSA-N 356.798 1.851 0 40 FDAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 223613717 NIURQNZLYCNQCQ-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB C[C@@H]1CN(Cc2ccc(CNC(=S)NCCN(C)C)cc2)C[C@@H](C)O1 40087585 YYOGSVHIEFPKAA-HZPDHXFCSA-N 364.559 1.822 0 40 FDAB Cc1oc2ncnc(O)c2c1C(=O)N1CCC(Nc2cccnn2)CC1 329427726 GWTUCSWDCBSYQZ-UHFFFAOYSA-N 354.370 1.744 0 40 FDAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1CCN1CCOCC1 223124496 KHAQVLQRZOYROU-IAGOWNOFSA-N 358.467 1.979 0 40 FDAB O=C(Cn1nnc2c1CCCC2)N1CCc2c(cnn2-c2ccccc2)C1 577884553 QIBOOSNBCLGNAN-UHFFFAOYSA-N 362.437 1.928 0 40 FDAB Cc1nc(CN2C[C@]3(CCN(C(=O)C4CCOCC4)C3)CC2=O)cs1 96050941 OMNAHENBHZXSKX-GOSISDBHSA-N 363.483 1.829 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239035 KUDABXDLGDUAHE-INIZCTEOSA-N 352.412 1.194 0 40 FDAB O=C(c1cocn1)N1CCC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96217671 JUHJBNVBICZLRY-QAPCUYQASA-N 350.415 1.882 0 40 FDAB CC(C)Oc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@H]2[C@H](O)CO)cc1 245238209 GHCMMBAHVMTGNP-WKULXVSPSA-N 368.426 1.589 0 40 FDAB biogenic O=C1CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 242390202 AEBCRLXBHYROOD-RBUKOAKNSA-N 370.474 1.697 0 40 FDAB CC(C)n1nccc1CN1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257235096 GWKSTQCPFIOCCO-CYBMUJFWSA-N 351.476 1.970 0 40 FDAB CN1CCC(C(=O)N2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)CC1 257223591 DYASBKWORFRAFD-HNNXBMFYSA-N 368.485 1.990 0 40 FDAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 257280583 OLLNIGJWZBTLMC-GFCCVEGCSA-N 367.500 1.894 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccc(F)cc1 257206729 BESANVMZGQRLCE-IBGZPJMESA-N 358.417 1.648 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)c1 257232618 GLQIGYPVOOLHAO-YOEHRIQHSA-N 374.416 1.502 0 40 FDAB C[C@H]1Oc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2NC1=O 252494468 NWQUEOUHQBACEL-SECBINFHSA-N 361.379 1.306 0 40 FDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 545555966 OPYVFAMINYIPNJ-LBPRGKRZSA-N 354.428 1.394 0 40 FDAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccc2cnccc2c1 626583924 ZAUHTDYRCZHVNL-HNNXBMFYSA-N 364.427 1.017 0 40 FDAB COc1coc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)cc1=O 281188450 JEOAKCCRHSCVMY-UHFFFAOYSA-N 362.407 1.617 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCO1 666520043 FEUTWSFTSWCIIK-LBPRGKRZSA-N 362.304 1.579 0 40 FDAB Cc1cc(C)nc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)n1 1615588986 FAYHVJBQEKJEJR-SJORKVTESA-N 359.474 1.976 0 40 FDAB CCN1C(=O)[C@@H]2CN(c3nc4ccc(OC)cc4nc3C)CCN2C1=O 645038006 YPHBWGMPZVVFQV-HNNXBMFYSA-N 355.398 1.420 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H](CCF)C2)C1 661182764 XOHULAZWHDVGKX-ZIAGYGMSSA-N 364.487 1.038 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)n1 575405216 XFTDVZCRWAMUIR-CQSZACIVSA-N 374.466 1.704 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)N3CCOCC3)C2)c1 575403440 IGWVHVGNTSAMKD-KRWDZBQOSA-N 354.410 1.247 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 57704658 FFBRPWQFJPUVDU-CYBMUJFWSA-N 367.446 1.335 0 40 FDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1 58194237 ZKGRRPOQVMONJY-UHFFFAOYSA-N 373.452 1.572 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C1 41903658 BPWHHNHOLIWBNJ-BLLLJJGKSA-N 360.476 1.327 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccccn4)nn23)C1 1501040137 BARWBRKRBANEQE-SNVBAGLBSA-N 364.456 1.387 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 12142490 OGZJJHUAOSYJAJ-LNFCAHBASA-N 371.437 1.654 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2)cc1 16503463 WQVHQHGLGMXSEL-UHFFFAOYSA-N 361.423 1.952 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500759 QXYJPYRNFVYREE-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB Cc1cc(C)n(CCCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(=O)n1 19572603 HLRGHOQCGHBKAX-ZDUSSCGKSA-N 370.409 1.998 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 165708037 ZMZHYOAXGLZNGM-DSIZOQBWSA-N 370.405 1.590 0 40 FDAB CCN=c1ccnc(N2CCN(c3ncc(Br)cn3)CC2)[nH]1 1888843645 MANYPNXIEWSWPZ-UHFFFAOYSA-N 364.251 1.209 0 40 FDAB COc1c(C)cccc1CN1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037983651 BHPJSUNCUSRZBW-FQEVSTJZSA-N 362.470 1.842 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)n1 1565545368 GQPGYYQPZNULLO-UHFFFAOYSA-N 354.458 1.729 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565544740 PHZZQWOMZQDPET-HNNXBMFYSA-N 369.487 1.037 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C(C)(C)C)C2 2055812499 AYYYMHJRZDRYCT-GOSISDBHSA-N 363.483 1.960 0 40 FDAB Cn1c(C(=O)N2CCC3(CC2)CCN(c2ncccn2)C3)cccc1=O 2055803617 XZLSZNOPIYPFHJ-UHFFFAOYSA-N 353.426 1.308 0 40 FDAB COc1nccnc1N(C)CC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 1775976365 ZHXSRIBENQKXGE-UHFFFAOYSA-N 372.473 1.824 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)s1 42384456 VYAAWDVELFFCFP-UHFFFAOYSA-N 364.514 1.109 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN([C@H]3CCCC[C@H]3O)CC2)n1 2298180926 UAJRRBOFYSORDK-DLBZAZTESA-N 361.490 1.047 0 40 FDAB CCOC(=O)C(=Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)OCC 22011412 IRJRNQXNFZMEDB-UHFFFAOYSA-N 354.271 1.718 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 28224143 BNZZRVRPLICSEX-UONOGXRCSA-N 362.401 1.980 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCc2ccccc2)cc1 28209421 ONXYJOYZUSXTAJ-QGZVFWFLSA-N 372.446 1.991 0 40 FDAB CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)no1 40153998 HONYKRGTZFJLNC-UHFFFAOYSA-N 365.459 1.269 0 40 FDAB CN1CCN(C(C)(C)CNC(=O)c2cccnc2OCC(F)(F)F)CC1 40120967 QHKVNTNRHSZLJU-UHFFFAOYSA-N 374.407 1.779 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548831 KAEWUPPTNDRMNN-ZFCANOHDSA-N 355.438 1.863 0 40 FDAB COC(=O)c1cnc(NC(=O)Cn2cnc3c(C)cccc3c2=O)s1 32494718 ZRMYYOKUFJERCK-UHFFFAOYSA-N 358.379 1.587 0 40 FDAB CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 32859641 YIKPERZEDXBGRJ-ZDUSSCGKSA-N 359.382 1.015 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2noc(C(C)(C)C)n2)c1 32928634 OIZAWXKWXNWCDZ-UHFFFAOYSA-N 367.427 1.974 0 40 FDAB CN1C(=O)C(C(=O)c2ccc(COCC(F)(F)F)cc2)C(=O)N(C)C1=O 103257458 JUTXLURMCMWOEM-UHFFFAOYSA-N 372.299 1.615 0 40 FDAB CC(=O)Nc1nc(C(=O)NCc2ccnc(-n3ccnc3C)c2)cs1 47014543 CQOJCYGVWQHWGP-UHFFFAOYSA-N 356.411 1.921 0 40 FDAB C[C@@H](C(=O)Nc1nnc([C@@H]2CCCO2)s1)n1nnc2ccccc2c1=O 61721605 KWQNUAZNAWUFEK-CABZTGNLSA-N 372.410 1.694 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)Nc2cccc3c2OCCO3)ccc1O 79001780 PQZAJEBFTSIZHJ-UHFFFAOYSA-N 364.379 1.923 0 40 FDAB Cc1cccc(CN2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 23249237 QVNIFXHEXIXQJV-HNNXBMFYSA-N 355.490 1.707 0 40 FDAB O=C(Cn1ccccc1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 7988411 FMUAQYPALMPDDK-UHFFFAOYSA-N 370.434 1.933 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1cccs1 102076467 YAISYCFMNVFTIF-BGHFTGAHSA-N 371.414 1.527 0 40 FDAB COc1ccc(N[C@H](C)C(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C 12596699 IAUKQFYZXOPOKY-CYBMUJFWSA-N 369.487 1.758 0 40 FDAB CCOc1ccc(OCCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 25404893 MHGYXFNULAOSMF-GOSISDBHSA-N 371.437 1.860 0 40 FDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](C)C3)C2=O)cc1 24834098 CCEVDLIRKGQVTA-JLTOFOAXSA-N 373.453 1.824 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)NC[C@@H](C(C)C)N(C)C 26304505 CRHJCBRLFQLUAG-HNNXBMFYSA-N 350.463 1.828 0 40 FDAB COc1cc(OC)cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 3217287 SWNQMARXQXXXGR-UHFFFAOYSA-N 373.361 1.906 0 40 FDAB COc1ccc(C(N)=O)cc1NC(=O)c1ccc(N2CCOCC2)cc1 58425890 KOIBBARWQUGDGV-UHFFFAOYSA-N 355.394 1.883 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 29799472 BTUGBURJROBURG-UHFFFAOYSA-N 372.406 1.985 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C 2616778 LHLGPGFBDIELAR-UHFFFAOYSA-N 367.402 1.589 0 40 FDAB aggregator CN(C)C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 2630431 FDDQQFUMIOHYRU-CQSZACIVSA-N 354.204 1.304 0 40 FDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)OCC(=O)NCc1ccc(Cl)cc1 3438287 OGSAGWNRCZGZCU-HZMBPMFUSA-N 355.822 1.582 0 40 FDAB Cc1nnc(CN(C)S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)n1C 72307451 RWMZVADFYZPWOE-UHFFFAOYSA-N 364.258 1.833 0 40 FDAB CCOC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 6673086 MGESCJIANLKUIZ-STQMWFEESA-N 354.453 1.325 0 40 FDAB CC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 96316509 SBKJDAQLCVNPTO-UHFFFAOYSA-N 372.469 1.068 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(C(=O)C3CC3)C[C@@H]1C2 306124181 BIPMNKCEQJPNCI-HOTGVXAUSA-N 365.437 1.249 0 40 FDAB Nc1nonc1C(=O)NCCNCc1ccc(OCc2cccs2)cc1 7523966 AXWZQBLTGPOJFZ-UHFFFAOYSA-N 373.438 1.812 0 40 FDAB O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 16695626 XMQKRTHCPKIVIL-KRWDZBQOSA-N 369.465 1.762 0 40 FDAB C[C@H]1CN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)CCO1 95468476 ZMONOYNKGCJNEW-KRWDZBQOSA-N 353.507 1.058 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2ccc(F)cc2)CC1 28233934 DNJSYIWJROBQLJ-UHFFFAOYSA-N 353.401 1.915 0 40 FDAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)o1 408595912 XTHAUNJSBBPWHZ-NTUHNPAUSA-N 370.317 1.931 0 40 FDAB CC(C)(C)OC(=O)NCC1(N[C@@H](Cc2ccccc2)C(=O)O)COC1 306145639 LKKDBUCACVLRLD-AWEZNQCLSA-N 350.415 1.566 0 40 FDAB COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OC 532253165 FBGLHRJMWQHQHV-UHFFFAOYSA-N 355.390 1.985 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1 217667266 JJPIJVVTRFFRBY-LBPRGKRZSA-N 356.444 1.688 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cn1 32958560 AFFQDPASYYCZFA-LJQANCHMSA-N 366.377 1.422 0 40 FDAB O=C(O)[C@H]1C[C@@H](C(=O)NCc2ccncc2)CN(Cc2cccc(O)c2)C1 71730301 DXOJLGBZFNCPMJ-SJORKVTESA-N 369.421 1.626 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@H]3Cc4ccccc4CO3)cc21 225787200 YTRJLROIRINPFP-AWEZNQCLSA-N 374.418 1.551 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCCCC2)cc1 225640174 AGEABCOUPYQVIL-UHFFFAOYSA-N 367.515 1.608 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)NCCOc2ccccc2)CC1 75170371 UNQOOWBTUNJNST-UHFFFAOYSA-N 355.460 1.036 0 40 FDAB C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1nnnn1-c1ccccc1 569896696 HSIXEIVZCWSLMK-LLVKDONJSA-N 352.345 1.400 0 40 FDAB CN1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 225947850 KPKGGLGYPLCSKE-ZUZCIYMTSA-N 354.453 1.153 0 40 FDAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[nH]1 223283428 SCGUYTJTBPILSN-UHFFFAOYSA-N 369.708 1.536 0 40 FDAB O=C(COc1ccccc1)N1CCN2C(=O)N(Cc3cccnc3)C[C@H]2C1 85436060 IOLYYZCXESXHQZ-QGZVFWFLSA-N 366.421 1.609 0 40 FDAB biogenic,in-vitro COc1cc2nc(C)n(CCNC(=O)c3cccnc3)c(=O)c2cc1OC 85879898 HPMOZKAXLRUYKY-UHFFFAOYSA-N 368.393 1.547 0 40 FDAB biogenic Cn1ccnc1CN1CCC[C@]2(COCCN(Cc3ccccn3)C2)C1 96229313 FMCWRROKFGDGAW-FQEVSTJZSA-N 355.486 1.930 0 40 FDAB CCCS(=O)(=O)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21 96044467 IMGTWYFWEUIJFL-HNNXBMFYSA-N 350.444 1.270 0 40 FDAB CCOc1ccc(CC(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)cc1 90590856 LZYCEDGMAWBSHG-UHFFFAOYSA-N 372.347 1.358 0 40 FDAB Cc1ccc(CN2CCc3c(CNS(C)(=O)=O)nn(C)c3C2)s1 96084211 PUVCIWURFGFANI-UHFFFAOYSA-N 354.501 1.398 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224352 UVGUZYTUUHCDCP-IBGZPJMESA-N 351.410 1.527 0 40 FDAB Cc1nnc(N2CC[C@@]3(C[C@@H](NC(=O)N4CCCC4)CCO3)C2)s1 96209739 VCQIGZXRZXEDDI-XJKSGUPXSA-N 351.476 1.780 0 40 FDAB CC(C)C[C@H](NC(=O)c1ccc2nnnn2c1)c1nnc2ccccn12 96118759 KPHPSAAUXMUZMT-ZDUSSCGKSA-N 350.386 1.684 0 40 FDAB Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 95477373 DALATJBJJJKQDS-CYBMUJFWSA-N 367.858 1.884 0 40 FDAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)[C@H]2CCOC2)CC3)n1 96075440 XVGMCLRCIDASIN-INIZCTEOSA-N 357.454 1.910 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)N1S(C)(=O)=O 96209522 GFMQHBRWAKYACL-HNNXBMFYSA-N 356.488 1.384 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3OCCN(c4ncc(F)cn4)[C@@H]3C2)c1 96248854 XDFJFFRNVZDCPL-CVEARBPZSA-N 358.373 1.354 0 40 FDAB CC(C)N1CCO[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@@H]2C1 96249578 YZMJHQZZGGTLBI-QZTJIDSGSA-N 352.500 1.948 0 40 FDAB O=C(Cc1ccsc1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247841112 FMYQCYDXXGCHOW-MRXNPFEDSA-N 350.484 1.630 0 40 FDAB O=C(COC[C@@H]1CN(Cc2nccs2)Cc2cncn21)N1CCCC1 247732809 IJEICUWPVFOOPH-HNNXBMFYSA-N 361.471 1.536 0 40 FDAB COc1ccc(S(=O)(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)cc1F 248138371 SLNBILDECOPKJC-CYBMUJFWSA-N 372.462 1.566 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H](C)c2csc(C)n2)C1 623585417 ONMJHLHZQPPCGJ-PWSUYJOCSA-N 360.505 1.483 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)C=C[C@@H]4[C@@H](C2)N(C=O)CC[C@]314 253504494 GKBIDJHSEALBDH-SBMOTQJGSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro CC(=O)NCC(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O 257320564 VXJTXMFJZCJHCY-KRWDZBQOSA-N 357.454 1.205 0 40 FDAB Cc1cc(C(=O)N2CC3(C[C@@H](CCOc4cnccn4)CCO3)C2)no1 253480292 VVMNBMZTJKAYHV-AWEZNQCLSA-N 358.398 1.863 0 40 FDAB CCc1nccn1-c1ccc(C(=O)N2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 257230858 GEFGTVCHAOLXNL-LJQANCHMSA-N 371.441 1.149 0 40 FDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257210856 BWKIWBGBMSHQBS-AWEZNQCLSA-N 358.446 1.292 0 40 FDAB O=C(O)[C@H]1C[C@@H](O)CN1C[C@H](O)COc1ccc(Cl)cc1Cl 1602219209 FEQCUSLOKRLDHL-JFGNBEQYSA-N 350.198 1.253 0 40 FDAB O=C(O)c1ccc2c(c1)CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)C2 621554778 ZNNHUHWJCJKPTO-MRXNPFEDSA-N 365.389 1.671 0 40 FDAB O=S1(=O)C[C@H](CNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21 1663486200 ZBLWBRRXBWEQIC-JTQLQIEISA-N 373.402 1.814 0 40 FDAB CN1CC[C@@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)S1(=O)=O 648292151 UPUXREZPHGUGIT-ZETCQYMHSA-N 368.299 1.364 0 40 FDAB Cc1ccc(OC2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nn1 96119382 DLPYGXJOXRDPAA-UHFFFAOYSA-N 365.397 1.444 0 40 FDAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)c3ccc4c(c3)CCO4)ccc21 96362807 WSOIBEWUBJHALN-SFHVURJKSA-N 374.462 1.626 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)n(C)n1 585099125 OCCQNETYJFOQGA-INIZCTEOSA-N 357.458 1.716 0 40 FDAB CN1CCN(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CC1 1776009236 YCOOISMILWHOFU-UHFFFAOYSA-N 373.379 1.706 0 40 FDAB C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)NCC(=O)N1CCCC1 77371381 QEKTVMLYDXGNCO-SFHVURJKSA-N 372.513 1.321 0 40 FDAB CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 59885310 IQZSEXFBNWWOMV-UHFFFAOYSA-N 372.410 1.676 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N2CCn3c(C)nnc3C2)C1 601297934 XAKYGWQDAUVNKM-OAHLLOKOSA-N 370.457 1.647 0 40 FDAB COc1cccc(NC(=O)N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)c1 1549161565 MITBUYSOXGXVJM-GVDBMIGSSA-N 373.413 1.114 0 40 FDAB CN(C)CCCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161135 VREGBZLZMCJOTA-HXUWFJFHSA-N 359.470 1.753 0 40 FDAB CC(=O)N[C@H]1[C@@H](Oc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@H]2[C@@H]1O 12378562 ZWTDRTNLJKBYAO-GCSSGZNBSA-N 371.817 1.461 0 40 FDAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C 13533747 VRVXVLAHKMXGQK-LLVKDONJSA-N 353.426 1.838 0 40 FDAB COc1ccccc1CN1CCc2c(O)nc(N3CCOCC3)nc2C1 19570649 PRCBMJQOMBLKHY-UHFFFAOYSA-N 356.426 1.586 0 40 FDAB COc1ccc2cnn(CC(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)c(=O)c2c1OC 169680718 UQAGHUKJCHLUCS-GZBFAFLISA-N 369.421 1.742 0 40 FDAB CCCNC(=O)NC(=O)CN(CCC)CC(=O)Nc1ccccc1OC 8038044 VEZPFCIATFXHMQ-UHFFFAOYSA-N 364.446 1.582 0 40 FDAB Cc1noc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)n1 1888870184 QKBGJCQMCRYLDZ-HOTGVXAUSA-N 362.455 1.272 0 40 FDAB COc1cccc2sc(N3CCN(c4cc(=O)n(C)cn4)CC3)nc12 1888897336 CJAOUXMBIVOHCI-UHFFFAOYSA-N 357.439 1.725 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccc4c(c3)COC4)CC2)[C@H]2COC[C@H]21 1026097774 LVJYZNMHMYGNJF-RBUKOAKNSA-N 370.449 1.816 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc(O)n(C)n2)c1C 2037843317 ARMGKYPOJVVYOX-ZDUSSCGKSA-N 353.448 1.566 0 40 FDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C(F)(F)F)c1 4107545 UGQNYDZRHCSSGZ-GFCCVEGCSA-N 366.361 1.583 0 40 FDAB CCN(CC)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 4622865 GHNFQJJJQKILAI-UHFFFAOYSA-N 357.414 1.609 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccc(F)cc2)C1 2055772289 RIRUPGTXJPBHBC-SFHVURJKSA-N 360.389 1.165 0 40 FDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)CCOc2ccccc2)C1 2055759236 ALDCHIPJLHDBOU-HXUWFJFHSA-N 370.453 1.758 0 40 FDAB CCc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)cc1 22996922 NVEKNZBERXZGHW-QGZVFWFLSA-N 363.458 1.343 0 40 FDAB CCOC(=O)CCC(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43986466 KRJVEFRBAPPIDZ-UHFFFAOYSA-N 368.459 1.158 0 40 FDAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1ccc2c(c1)OCCO2 575620215 LCSWSGYSQVBKBX-UHFFFAOYSA-N 373.390 1.986 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)N[C@@H]1CCN(Cc2ccsc2)C1 618256873 NJSWTIIDGOMKJO-OAHLLOKOSA-N 358.467 1.573 0 40 FDAB Nc1nc(SCC(=O)O)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 4248910 RJJCGXOXMLZXOG-UHFFFAOYSA-N 356.310 1.059 0 40 FDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1 10049298 ZVVPGVYDQTVMQN-UHFFFAOYSA-N 352.398 1.405 0 40 FDAB COCC(=O)N1CCN(C(=O)c2ccc(OC(F)F)c(OC)c2)CC1 40122352 YZYLODHJVICGIB-UHFFFAOYSA-N 358.341 1.227 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C(=O)O 32087100 SHUUWFQPYFOQJX-UHFFFAOYSA-N 352.343 1.732 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3cn(C)nc3C)[C@H]2C1=O 101343691 HBSIKVMRKLNXKS-HIFRSBDPSA-N 374.784 1.683 0 40 FDAB O=C(NCC(F)(F)F)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32754833 PHOWHZRWXJZQTI-GHMZBOCLSA-N 350.337 1.647 0 40 FDAB COc1cc(NC(=O)COc2cc(OC)ccc2C(N)=O)cc(OC)c1 21472133 NLKCVRACAJWAKG-UHFFFAOYSA-N 360.366 1.829 0 40 FDAB CCCn1nnnc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32888432 KXDSFXBUJHCRHP-UHFFFAOYSA-N 371.441 1.949 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCCCCc1ccccc1 21620412 ZXTQVSHOODQQGI-SFHVURJKSA-N 361.467 1.553 0 40 FDAB C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 32913388 UBTFOYJSPKXKNR-LJQANCHMSA-N 370.384 1.347 0 40 FDAB CCn1cnnc1CNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 32931315 JVVYXCZJURVIMR-RSPDNQDQSA-N 357.414 1.141 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@@H]1COc2ccccc2C1 103262160 QENIEKBNMDEDCS-HRCADAONSA-N 356.422 1.672 0 40 FDAB O=C(NCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 22470314 NOJABNJRHMNTPL-UHFFFAOYSA-N 370.796 1.736 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)c(Br)c(OC)c1 78603719 JECRQNCCXOFURW-SNVBAGLBSA-N 371.231 1.817 0 40 FDAB C[n+]1ccccc1-c1nc(-c2cccc[n+]2C)nc(-c2cccc[n+]2C)n1 1556373 CDIMNVNQZOXXKC-UHFFFAOYSA-N 357.441 1.346 0 40 FDAB CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 1642997 ZVWIAQOLLNVEGA-WMLDXEAASA-N 353.422 1.278 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)N2CCSc3ccncc32)c1 79060932 NBQIMYOXYWIFKZ-UHFFFAOYSA-N 370.477 1.786 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C[C@H](C(=O)OC)[C@@H](O)c2ccncc2)C1 12537004 LWELLZIVNOSXIC-PMPSAXMXSA-N 350.415 1.179 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cccc(N2CCCC2=O)c1 12598813 GYFMJBCQCMKNKY-UHFFFAOYSA-N 373.438 1.764 0 40 FDAB CC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4790252 RSJKZYNTFCVANX-UHFFFAOYSA-N 359.831 1.873 0 40 FDAB [O-][n+]1onc(-c2noc(C(F)(F)F)n2)c1-c1noc(C(F)(F)F)n1 4837521 SQFJMQJVWNOITK-UHFFFAOYSA-N 358.114 1.446 0 40 FDAB Cc1cccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1C 4938186 RDGYIHWXLOUOEV-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB CN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 6320989 NDGCJCDQPAVYBQ-UHFFFAOYSA-N 367.515 1.470 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CCCN(c2ncccn2)C1 43078180 PDIGQJMEOZMMEK-GJZGRUSLSA-N 369.425 1.585 0 40 FDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccn1 8073366 QDQGZQYBDJUZMW-UHFFFAOYSA-N 352.394 1.255 0 40 FDAB CN(Cc1ccc(Br)s1)S(=O)(=O)N1CCOCC1 55413921 OTFDTKBPRLNXLW-UHFFFAOYSA-N 355.279 1.519 0 40 FDAB CC(C)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)CC1 57880787 SETCKYQPMWZNQR-UHFFFAOYSA-N 368.503 1.931 0 40 FDAB Cc1cc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)s1 48234172 CUVXLVYWBRUNMD-AWEZNQCLSA-N 350.465 1.966 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420288 ZHTHIOFSQYRLSB-MOROJQBDSA-N 364.829 1.927 0 40 FDAB O=C(NC1=NCCS1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12782145 BUZIETODZAFGLS-LLVKDONJSA-N 371.459 1.445 0 40 FDAB CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)N1CCOCC1 23642267 CZXPKCJXRKUETF-AWEZNQCLSA-N 365.499 1.580 0 40 FDAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccco1 11666375 NNQRPBBPMLOESR-UHFFFAOYSA-N 367.340 1.607 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1 60348787 RYBMDLXGYRDKEZ-CQSZACIVSA-N 369.439 1.698 0 40 FDAB Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)no1 12872134 NBRVXPBAQRNRAW-UHFFFAOYSA-N 371.463 1.253 0 40 FDAB CC[C@H]1CCCCN1C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 12888027 QPMJLLUXSTWOCG-JTQLQIEISA-N 359.348 1.757 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CCN1C(=O)c3ccccc3C1=O)C2=O 3572837 PHWQWLGLUMMUQP-BUXKBTBVSA-N 355.394 1.783 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1CCOC1)C2 306125339 CMXRFQJWEJUZGH-IRXDYDNUSA-N 359.470 1.558 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccnc2SC)NC(=O)NC1 12974517 YOSNROSPVDETSQ-UHFFFAOYSA-N 351.384 1.090 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(Oc2ccccc2)c1 6046535 VPIXVHMGOFNTLD-KRWDZBQOSA-N 368.389 1.983 0 40 FDAB C[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 14240783 YMTRZNKGFJARLR-AWEZNQCLSA-N 351.406 2.000 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)NC2CC2)c1 9314805 MRTFVSWWSVYKQO-UHFFFAOYSA-N 355.460 1.416 0 40 FDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NC12CC3CC(CC(C3)C1)C2 9482039 ZVNMJXCHJQLSAJ-UHFFFAOYSA-N 353.426 1.514 0 40 FDAB COC(=O)c1sc(NC(=O)CCC(=O)NCc2ccccn2)nc1C 96343652 FWCDZRYROIPJDF-UHFFFAOYSA-N 362.411 1.668 0 40 FDAB COC(=O)C[C@H](N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 19868917 LYCKRKGKLAYJLY-QGZVFWFLSA-N 363.435 1.835 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(F)c(F)c1 8077471 KQMQXZMWVIOKNI-UHFFFAOYSA-N 371.343 1.975 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)OCO3)C1=O 8158232 XEDOZZXBEXEOGS-IBGZPJMESA-N 367.361 1.917 0 40 FDAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N1CCNC1=O 9501832 QEMCCRGJFJXDRQ-RKDXNWHRSA-N 357.461 1.161 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cn2cncn2)cc1 72402652 GVZIHLNWUCZRHY-UHFFFAOYSA-N 360.377 1.744 0 40 FDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2nnc3ccccn23)n[nH]1 95480888 XQFOHTJVTOWALH-UHFFFAOYSA-N 350.386 1.400 0 40 FDAB O=C(CN1CCN(C[C@H](O)c2ccc[nH]2)CC1)Nc1ccccc1Cl 95948602 KLRNAQOHFBMVCO-KRWDZBQOSA-N 362.861 1.958 0 40 FDAB Cn1cc(Oc2ccccc2C(=O)N2CCN(Cc3ncc[nH]3)CC2)cn1 549100474 HIEAMAMPNPBYCA-UHFFFAOYSA-N 366.425 1.894 0 40 FDAB 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Cc1ccc2nccc(N3CCC[C@@](O)(CN(C)C(=O)CCCN)C3)c2n1 257200755 AETVPIJINNMMBY-HXUWFJFHSA-N 371.485 1.467 0 40 FDAB Cc1cnc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257260710 LEAFTSVNEPCDGX-GOSISDBHSA-N 359.405 1.423 0 40 FDAB CO[C@@H]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)c2ccccc2F)[C@H]1O 257238549 HLNLTQSMANOTRX-RBSFLKMASA-N 352.406 1.379 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 253590286 FFPUNPBUZDTHJI-YVUONRHCSA-N 368.514 1.445 0 40 FDAB CO[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)C[C@H]1c1cnn[nH]1 622166905 BIUROQAPMUJPPI-MAUKXSAKSA-N 353.426 1.870 0 40 FDAB CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CC3(N)CCC3)CCO2)cc1 638464906 OKRJBQMGCXEACS-HNNXBMFYSA-N 352.456 1.262 0 40 FDAB Cc1ccc(C)c(-n2cnc(=O)n2Cc2nnc([C@H]3CCCOC3)o2)c1 643648053 LOAJEAPEURUPNU-AWEZNQCLSA-N 355.398 1.976 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cn(-c3ccccc3)nc2C)C1 644037983 YXGLEBUZWYWUTQ-LJQANCHMSA-N 356.426 1.284 0 40 FDAB Cc1nnc(COC2CN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)C2)o1 644212965 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Cc1cc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c2nccn2c1 685943316 YOBANMDZVXUXDL-GZBFAFLISA-N 354.414 1.056 0 40 FDAB COCCN(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 96013149 ATVJXDSKNDLOBG-UHFFFAOYSA-N 356.448 1.366 0 40 FDAB CC(=O)N1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)CC1 552932627 HUEMJERQTZEETM-UHFFFAOYSA-N 360.819 1.281 0 40 FDAB CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C[C@H]1c1ncc[nH]1 681893191 AUYLAFNWNYHRAK-WBVHZDCISA-N 367.453 1.816 0 40 FDAB Cc1nc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)sc1C 11239219 CDKUTPSSSHPDOA-UHFFFAOYSA-N 365.386 1.811 0 40 FDAB Cc1nc2ccccc2c2nn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)n12 12144988 YNZZGSMNYIDGGY-BETUJISGSA-N 353.426 1.857 0 40 FDAB CCN(CC)C(=O)Cn1nc2c(C)cc3cc4c(cc3n2c1=O)OCO4 12181653 OZRWUCHQASKHEB-UHFFFAOYSA-N 356.382 1.555 0 40 FDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)N4CCCC4)nc12)OCO3 12181960 FZPNXLXININGGV-UHFFFAOYSA-N 354.366 1.309 0 40 FDAB O=C(O)c1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4cccs4)[C@@H]3C2=O)cc1 18203137 GJHVRLAYNRBRSD-FZMZJTMJSA-N 370.342 1.573 0 40 FDAB biogenic COC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1 19687973 HFDBSJDDDIRRLQ-HNNXBMFYSA-N 371.485 1.813 0 40 FDAB CN1CC=CC[C@]2(CN(C(=O)c3nccc4ccccc34)CCO2)C1=O 19704462 XFQMOOMZOZXFKC-FQEVSTJZSA-N 351.406 1.864 0 40 FDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2cccc(F)c2)CC3)C1 19709248 DBYZNTJCNVIZRD-INIZCTEOSA-N 371.460 1.854 0 40 FDAB CCn1ccc(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)n1 19748665 CKWFDMZDHHAAGG-UHFFFAOYSA-N 367.453 1.324 0 40 FDAB CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 8091593 GLRZGPXLLWMGSC-GXDHUFHOSA-N 362.407 1.590 0 40 FDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3430138 FGVSNTMPUUFYNA-GOSISDBHSA-N 359.382 1.241 0 40 FDAB COCC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)N3CCCC3)c(C)n2)C1 1848356515 ONIWDCAIGBZEJG-MRXNPFEDSA-N 374.485 1.611 0 40 FDAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O[C@@H]2CCOC2)nc1 244950873 FPPDJJGVCXVHIZ-CQSZACIVSA-N 365.430 1.894 0 40 FDAB O=C(Cc1cccnc1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037978496 ZACBUDVASWYTKD-MJGOQNOKSA-N 365.433 1.905 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1ccc(F)cc1)CCO2 2037984846 PNRPBYCXXHKPDB-SFHVURJKSA-N 350.390 1.304 0 40 FDAB COc1cc(C(=O)N2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)on1 1614934638 RZSKKPNVKZNANW-CYBMUJFWSA-N 363.414 1.363 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3csnn3)C2)O1 1565548557 FHVZYJASVCVPQW-CJNGLKHVSA-N 354.476 1.269 0 40 FDAB COc1cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)on1 1565551822 WCQLWLIXUJZUNI-AUUYWEPGSA-N 371.393 1.150 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 1565553864 FLJLILKORRPVFH-TYJKZOGGSA-N 357.410 1.534 0 40 FDAB CC(C)(C)C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055781605 SPEQELGPUSDXRD-UHFFFAOYSA-N 360.380 1.925 0 40 FDAB O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)Nc1ccccc1F 549074725 MUCMHFITFASDRU-UHFFFAOYSA-N 355.435 1.264 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cc(-c2cccs2)[nH]n1 575620113 PPYYFJLCPQCJAG-UHFFFAOYSA-N 362.411 1.034 0 40 FDAB Cc1cc(=NC(=O)C(=O)NC[C@H](c2csc3ccccc23)N(C)C)[nH]o1 575620084 IOEPUKYAZLRAPI-CQSZACIVSA-N 372.450 1.977 0 40 FDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc(=O)c2ccccc2o1 225797123 JYNCOJQPMGHPQM-UHFFFAOYSA-N 362.345 1.328 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C(N)=O 26761133 GNJPJHQOFQYACG-GOSISDBHSA-N 373.478 1.771 0 40 FDAB CCO[C@@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 101703940 ABYYATZCXRICQU-MAUKXSAKSA-N 374.393 1.707 0 40 FDAB O=C(Cc1ccccc1C(=O)O)Nc1ccc(CN2C(=O)CNC2=O)cc1 40158788 ABKZFQGQYKMVLI-UHFFFAOYSA-N 367.361 1.618 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 31208601 ZUWVZHVMSLRBNP-QGZVFWFLSA-N 372.513 1.911 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815989 PTZANUQJSGJXHD-QWHCGFSZSA-N 356.444 1.609 0 40 FDAB Cc1ccccc1-n1nnnc1SCCn1nc2ccccn2c1=O 32815440 ZCISIBBCJKADCB-UHFFFAOYSA-N 353.411 1.572 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 102697858 POSRWIXJLINBHA-STQMWFEESA-N 358.394 1.942 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2cnc(C)cn2)N2CCOCC2)cc1 22686261 KCPNJKYIIUHQTG-GOSISDBHSA-N 356.426 1.597 0 40 FDAB COc1ccc(OCCN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 22931376 HZKTYIMIMKQAIX-UHFFFAOYSA-N 369.465 1.991 0 40 FDAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)NCCC2=CCCCC2)n1 7029570 TVCVVNVAEUBCJO-UHFFFAOYSA-N 365.455 1.584 0 40 FDAB C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C[C@@H](C)O1 24975066 OWPBXDYCHSNQPD-ZIAGYGMSSA-N 369.487 1.062 0 40 FDAB COc1ccc(CNS(=O)(=O)c2c(C)noc2C)c(OC)c1OC 56105254 NNEZXOIVMDFCIC-UHFFFAOYSA-N 356.400 1.796 0 40 FDAB CCCOc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 72294583 PMCHHXSBFLUUSS-SFHVURJKSA-N 361.486 1.498 0 40 FDAB O=C(/C=C/c1cccs1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3295557 RVPRBZIDOLPFBT-AATRIKPKSA-N 374.418 1.882 0 40 FDAB CN(C)c1nc(N)nc(CSc2nnc(-c3ccccc3F)n2C)n1 12723960 OKDSPGLHCJNWBN-UHFFFAOYSA-N 360.422 1.747 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1C 58420636 LUXRYSYOXJLMDJ-UHFFFAOYSA-N 365.455 1.283 0 40 FDAB c1ccn2cc(CN3CCN(c4cncc(-n5cncn5)n4)CC3)nc2c1 48302565 ZQZYFYGNOJSVLE-UHFFFAOYSA-N 361.413 1.027 0 40 FDAB CCOC(=O)c1csc(NS(=O)(=O)c2c(CC)nn(C)c2CC)n1 95444336 VNUTZLIUEZHMKN-UHFFFAOYSA-N 372.472 1.979 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2nccc3ccccc23)NC(=O)NC1 64875102 RFUGOIWXEOFASJ-UHFFFAOYSA-N 355.350 1.522 0 40 FDAB COC[C@](C)(O)CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br 72304530 RVRGJSSTYQXWOR-YMTOWFKASA-N 364.211 1.869 0 40 FDAB CC[C@](C)(NS(=O)(=O)c1cc(N2CCCC2=O)ccc1C)C(=O)O 15083877 LWIITQRWSCAVBU-INIZCTEOSA-N 354.428 1.653 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)ccc1N 7203972 HJUGYBQRNIJXOC-QMMMGPOBSA-N 372.219 1.811 0 40 FDAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(c2ncccn2)CC1 7955717 YMEWJUAHSGGOPV-UHFFFAOYSA-N 370.438 1.870 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1 16773542 UHTMQWMASKCOQH-STQMWFEESA-N 370.471 1.508 0 40 FDAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2nnnn2-c2ccccc2)no1 71801216 QQOGBDWVUXMHKH-JPQMIFPKSA-N 360.399 1.235 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)on1 17053911 DLYZINLWRNLTHD-UHFFFAOYSA-N 369.830 1.783 0 40 FDAB Cc1ccn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)nc2c1 9608671 NEVYDLGBYBCFEH-GOSISDBHSA-N 352.350 1.563 0 40 FDAB O=C(c1cnccn1)N1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 95958346 XSRAZONOAUGBTL-UHFFFAOYSA-N 363.377 1.730 0 40 FDAB CCC1(C(=O)N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)CCC1 95998305 DANXEWJBVGNSFW-QGZVFWFLSA-N 373.501 1.640 0 40 FDAB CCS(=O)(=O)N(C)C1CCN(C(=O)/C=C/c2ccc(C)nc2)CC1 95993637 VUZDZNXXJYQGPZ-BQYQJAHWSA-N 351.472 1.676 0 40 FDAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C(F)(F)C1(O)CCC1 89826300 MYJVYJFTHOVUQJ-HNNXBMFYSA-N 354.397 1.726 0 40 FDAB CN(C)C[C@](C)(O)CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 89901149 XCWQTWKMYXKBTH-QGZVFWFLSA-N 356.417 1.999 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](C(=O)NCc3cccnc3)C2)no1 306138602 SBQGPHIKYARZJT-QGZVFWFLSA-N 352.398 1.448 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3ccsc3)C1)OC2 306139133 SQBITEJPCVPQEQ-QGZVFWFLSA-N 362.455 1.222 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306136976 QIBHUKAFPNVKBH-NVXWUHKLSA-N 370.428 1.573 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38490297 LLSLBQBUDZLNDZ-DLBZAZTESA-N 351.406 1.463 0 40 FDAB CN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 61031056 QNVGUQRKTTWRDI-UHFFFAOYSA-N 359.879 1.171 0 40 FDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(C)(C)CN1CCOCC1 36741355 FPEFZMFYWODHPS-XEWABKELSA-N 362.518 1.593 0 40 FDAB Cc1nccn1-c1cncc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 72355543 FYDPERZXNRSNLQ-MRXNPFEDSA-N 370.457 1.009 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)O)n2)cc1 71334874 FQVSVFIEEJJJNE-MRXNPFEDSA-N 373.409 1.534 0 40 FDAB CC(=O)N1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2[C@H](C)O)CC1 225434477 BOZMTUODZZZUMH-NSHDSACASA-N 361.373 1.838 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82147863 PREJBHGDJSODEY-KRWDZBQOSA-N 351.472 1.288 0 40 FDAB CC(C)(NS(=O)(=O)N1CCC[C@H]1C(=O)O)c1nc2ccccc2s1 530152539 QWPRJPPZPPLESC-NSHDSACASA-N 369.468 1.915 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(c1cnccn1)CC2 96077175 JWIQBGGWGCWDDW-UHFFFAOYSA-N 352.442 1.185 0 40 FDAB COc1ccc(CCNC(=O)CCN2C(=O)c3cccnc3C2=O)cc1 94993149 XAJSSRJJQIMUAP-UHFFFAOYSA-N 353.378 1.435 0 40 FDAB CN1Cc2c(C(=O)NC3CCCC3)ncn2-c2ccccc2S1(=O)=O 96266102 ZCIKVUDYFDGSPW-UHFFFAOYSA-N 360.439 1.679 0 40 FDAB COc1cc(N2CC3(CC[C@H](CNC(=O)c4cccnc4)CO3)C2)ncn1 247910120 UHHZWJTVPVNQTN-CQSZACIVSA-N 369.425 1.296 0 40 FDAB O=S1(=O)CC[C@H](COc2ccccn2)C12CN(C1CCOCC1)C2 247319779 LGHCWNWNTVWFMB-CQSZACIVSA-N 352.456 1.129 0 40 FDAB Cc1nccc([C@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)n1 257344274 ZWJHYUCDMPPTLP-MRXNPFEDSA-N 350.382 1.579 0 40 FDAB CCOc1ncccc1C(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257244124 IJYIQLLZXMTVEO-GOSISDBHSA-N 357.414 1.032 0 40 FDAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCCC(C)(C)C)n1 604382087 CUYXLHPKKJIMPH-BRSBDYLESA-N 365.518 1.592 0 40 FDAB biogenic,in-vitro CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257329947 XMDJDOWUNZIMPG-KRWDZBQOSA-N 356.430 1.359 0 40 FDAB Cc1cc(-c2ncc[nH]2)nc(CC2CCN(CC3(O)CCOCC3)CC2)n1 257319121 VQWHZFSCEYWFDP-UHFFFAOYSA-N 371.485 1.971 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2ccnc(-c3cncn3C)c2)CC1 257265861 MAQZSXQVKPSCTA-UHFFFAOYSA-N 363.487 1.543 0 40 FDAB Cc1ccn(CCC(=O)N2CCC[C@H](Cc3nccnc3N(C)C)C2)n1 257242727 IDWBCRFFDYMBQK-MRXNPFEDSA-N 356.474 1.919 0 40 FDAB CC[C@@H](NC(=O)NCC1(O)CCC1)[C@H]1CN(Cc2ccccc2)CCO1 363858364 VEMKYRADPXXAAJ-QZTJIDSGSA-N 361.486 1.880 0 40 FDAB CC(C)N1CCN([C@H]2CCN(C(=O)Nc3c4c(nn3C)CCCC4)C2)CC1 603143061 BFKZUMPARFDWSA-INIZCTEOSA-N 374.533 1.931 0 40 FDAB CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)Cc4ccccc43)C2)CC1 597380221 LXERDYADRBXVEE-SFHVURJKSA-N 370.497 1.203 0 40 FDAB O=C1COc2ccc(CN3CCC(c4nnc5n4CCC5)CC3)cc2N1 646062805 KMLILUUVMKNOTM-UHFFFAOYSA-N 353.426 1.935 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)O)N(S(=O)(=O)Cc1ccc(Cl)cc1)C2 650230394 HKTRQXPYROMCMX-LBPRGKRZSA-N 370.818 1.039 0 40 FDAB Cn1cnc2cccc(C(=O)N3CCC([C@@H]4CC[C@H](C(N)=O)O4)CC3)c21 1775957547 AKFSSJJOWMSZGV-JKSUJKDBSA-N 356.426 1.458 0 40 FDAB COc1ccc([C@H]2[C@@H](CNC(=O)NCCc3nccn3C)CCN2C)cc1 1775996467 ZRJMYQQKFUPEMV-APWZRJJASA-N 371.485 1.963 0 40 FDAB Cn1cnnc1N1CCN(C(=O)Nc2c[nH]nc2-c2nccs2)CC1 585090914 ZWSVBMJLQSIVOB-UHFFFAOYSA-N 359.419 1.016 0 40 FDAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2ccc(F)c(Cl)c2)C1 585281522 YPHFZINNLHQNQR-MRXNPFEDSA-N 358.797 1.473 0 40 FDAB O=C(COC(=O)C1(O)CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 61114483 YYDLTWSXOAPVJO-INIZCTEOSA-N 360.454 1.868 0 40 FDAB Cc1cccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)CC2)c1C 56074723 HYAAEWWLABANMC-UHFFFAOYSA-N 363.439 1.506 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cccc3nccn23)n1 512256753 AXRVLMQNHNHRHY-HOCLYGCPSA-N 369.448 1.897 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(F)c(F)c1F 548529383 GPNWHBUNKIPLDW-VXNVDRBHSA-N 353.318 1.262 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)Nc1ccccc1 1547200942 CIJTZGRIBIBKNL-UHFFFAOYSA-N 367.340 1.811 0 40 FDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 5351969 UERQVUDVFMBLRP-INIZCTEOSA-N 361.442 1.883 0 40 FDAB CCCCC(C1C(=O)OC(C)(C)OC1=O)C1C(=O)OC(C)(C)OC1=O 5417711 PLCRLZVUHPRVOV-UHFFFAOYSA-N 356.371 1.697 0 40 FDAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCCC1 12602487 RDUJRPLBEGVJLZ-YESZJQIVSA-N 354.564 1.293 0 40 FDAB biogenic,in-vitro CC(=O)N[C@@H](CSCC(=O)c1ccc(Br)cc1)C(=O)O 16320978 LBODOWCTTITMCE-NSHDSACASA-N 360.229 1.954 0 40 FDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCC3)c3nonc23)C[C@H](C)O1 19497466 MSDQCQXGGLVGSJ-STQMWFEESA-N 359.430 1.871 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3noc(C)n3)ccc21 19499172 AJUYNXHHJCGXMC-UHFFFAOYSA-N 350.400 1.156 0 40 FDAB Cc1nn(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c(C)c1C 19556520 GRZZAZHUCWEPJA-MRXNPFEDSA-N 368.485 1.602 0 40 FDAB Cc1nc2nc(-c3ccc(NC(=O)CN4CCNC4=O)cc3)cn2nc1C 19657328 YNHONCBYGWUVSJ-UHFFFAOYSA-N 365.397 1.372 0 40 FDAB CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569794 DBGYFIHGMBHUJP-UHFFFAOYSA-N 359.879 1.318 0 40 FDAB COc1ccc(C(=O)N2CCN(c3nc(C)c(F)c(O)n3)CC2)cc1F 1888856827 SUJUUBWXLHFUCP-UHFFFAOYSA-N 364.352 1.740 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n(C)n1 1888866923 YKXYHQGXKMHLMY-GASCZTMLSA-N 366.469 1.524 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3cnn4cccnc34)CC2)nc1 1889211692 ZYEZHVATBBJHGA-UHFFFAOYSA-N 354.370 1.212 0 40 FDAB Cc1cc(C(=O)N2CCO[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)no1 2037985024 VJMXOPXWLRTKOC-IBGZPJMESA-N 371.393 1.258 0 40 FDAB CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(-n3ccnc3)cc2)C1 1565541858 DWYCQUWHSPLWSP-QXAKKESOSA-N 354.454 1.940 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)CC1 1565549304 UJDWNSVIQKQDMX-FLAMNCDFSA-N 362.474 1.739 0 40 FDAB CNC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 8874215 UVQIVNJKALCUCS-UHFFFAOYSA-N 368.440 1.005 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)C3CCC3)CC2)[nH]1 2055745934 RMIVCXUCHTZYRL-UHFFFAOYSA-N 359.474 1.038 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)c2cccc(Cl)n2)C[C@@H]2CCCO[C@@H]21 2055771981 OLTXCKOERWKQKN-GHJWDPDVSA-N 367.833 1.117 0 40 FDAB Cn1ncc2c(N3CCN(c4ccc(-c5cccnc5)nn4)CC3)ncnc21 1775974141 BZAOPANZHUAJJF-UHFFFAOYSA-N 373.424 1.542 0 40 FDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)o2)s1 35597512 YBZVWLAGDDEXCC-UHFFFAOYSA-N 368.396 1.763 0 40 FDAB Cc1ccc(O[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nn1 225466597 RQXGYJZNXVHCQD-ZDUSSCGKSA-N 352.416 1.622 0 40 FDAB Cc1nc2ccccn2c1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803953 LQQFYJHORRIGOY-UHFFFAOYSA-N 350.338 1.311 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4ncccn4)no3)C2)s1 49482755 WNENLMUTETZMRQ-UHFFFAOYSA-N 363.424 1.685 0 40 FDAB CN(C)S(=O)(=O)N1CCc2nc3ncc(Br)cc3cc2C1 2298076105 DQRPOPWHKPCSET-UHFFFAOYSA-N 371.260 1.557 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)nn2)n1 2298179370 ZFIOFGVGXXEUAO-IRXDYDNUSA-N 356.474 1.705 0 40 FDAB C/C(NCCN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20331530 WMFLNQNLZBXMSJ-BMRADRMJSA-N 370.453 1.927 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12 101022878 ADBHLWJITZEUHY-XCBNKYQSSA-N 371.136 1.377 0 40 FDAB CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32092920 JHQZZYIFRZVNEW-CQSZACIVSA-N 371.846 1.524 0 40 FDAB COc1ccc(Cc2c(O)[nH]c(=O)n(Cc3ccccc3)c2=O)cc1OC 101333348 WNYKISXAZRZXMH-UHFFFAOYSA-N 368.389 1.899 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 20725615 IRGMGYFEEXUGNA-GFCCVEGCSA-N 351.403 1.269 0 40 FDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 32771458 ONDZMUTYPRSYKT-JLHYYAGUSA-N 358.485 1.391 0 40 FDAB CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2C[C@H]1C 32917500 DFHXGQSEULUZCM-BDJLRTHQSA-N 368.455 1.762 0 40 FDAB CCCNC(=O)CN(C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 22515447 LSDVNAUBWRCNBV-UHFFFAOYSA-N 360.502 1.097 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 61722029 HVTLHFHZUTYZJG-HOTGVXAUSA-N 360.410 1.416 0 40 FDAB COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 783834 OWWPJGVFNRMTCQ-FQEVSTJZSA-N 353.374 1.975 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1C 22783208 ZBELTEIZTPUXDX-UHFFFAOYSA-N 372.513 1.872 0 40 FDAB OCCN1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 22943378 OHWDYIWSCFJXJW-UHFFFAOYSA-N 357.248 1.330 0 40 FDAB CCn1cnnc1CNC(=O)N1CC(OCCCOc2ccccc2)C1 79101317 DKHSNTUPIPVYBT-UHFFFAOYSA-N 359.430 1.678 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(N3CCc4ccccc4C3)nc2)CC1 3427435 XEYMQGAKQWAHKV-UHFFFAOYSA-N 372.494 1.580 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cn1 7735736 VUNBXVGWMNRDEO-UHFFFAOYSA-N 372.768 1.627 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1cccs1)Cc1cccs1 24467144 PUGAZBFMMMZOOX-UHFFFAOYSA-N 361.448 1.889 0 40 FDAB COCCN1C(=O)C2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 106802206 HGLKAKNBQVUOLF-UHFFFAOYSA-N 354.454 1.947 0 40 FDAB COc1ccc(S(=O)(=O)c2nnn(-c3cccc(OC)c3)c2N)cc1 1428304 QMPFJSAXZLDJHU-UHFFFAOYSA-N 360.395 1.700 0 40 FDAB C[C@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 57620430 IJORRUOJAUUQJY-AWEZNQCLSA-N 361.467 1.344 0 40 FDAB COCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57485977 KHLWWMUGPPFHMR-UHFFFAOYSA-N 353.444 1.033 0 40 FDAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)N[C@H]1CCS(=O)(=O)C1 27370202 MXRCXXZCFLBDIZ-NSHDSACASA-N 374.865 1.747 0 40 FDAB CCCNC(=O)CNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 58213845 AJUXIOMWLBHQSX-HNNXBMFYSA-N 360.458 1.881 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 36392427 NCWOWJDSNRURPT-BQYQJAHWSA-N 374.466 1.426 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)C(C)C 58399591 GAHOJWZHHARIAX-ZDUSSCGKSA-N 370.471 1.490 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccccn2)n1 36357152 UNAITYDLIBJACY-UHFFFAOYSA-N 353.338 1.073 0 40 FDAB NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 3353400 RRKOCVFNZHNPKT-UHFFFAOYSA-N 361.448 1.949 0 40 FDAB CN(C)C(=O)[C@H](OC(=O)c1sccc1S(N)(=O)=O)c1ccccc1 10937200 PRQRLFHFXADVRS-GFCCVEGCSA-N 368.436 1.382 0 40 FDAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2cnccn2)CC1 11546266 NDBUTSDXPNZGQX-GOSISDBHSA-N 373.501 1.846 0 40 FDAB CCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)Nc2nnnn21 45896139 ULNZUCDMZRGMLK-HNNXBMFYSA-N 359.386 1.550 0 40 FDAB O=C(NC1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1)c1ccccc1 12885977 JROOJWCMTDDZCR-HDICACEKSA-N 367.449 1.790 0 40 FDAB CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71280476 HKYYQZBGXYSXGP-CYBMUJFWSA-N 367.833 1.534 0 40 FDAB COC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4081816 ZYRPHGFOPGXKIN-OVWNDWIMSA-N 371.393 1.774 0 40 FDAB biogenic NS(=O)(=O)c1ccc(NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1 49547608 LBPYOYLCYKKCGO-UHFFFAOYSA-N 361.354 1.567 0 40 FDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 49580890 HHHPYWQMMUGGEK-MLGOLLRUSA-N 356.426 1.936 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1OC 6023180 QHAHKCVHHLVOAR-GFCCVEGCSA-N 358.460 1.533 0 40 FDAB COC[C@H](C)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 39561051 TVENUCVKBHCRES-YFKPBYRVSA-N 370.620 1.932 0 40 FDAB COc1cccc(OCC(=O)Nc2ccc(-n3cc(CO)nn3)cc2)c1 96012168 VKXKKLUGMHAUEY-UHFFFAOYSA-N 354.366 1.786 0 40 FDAB Cc1nc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C(N)=O)c(C)c1C 14119188 OJJDKZQPRGMWHH-NXEZZACHSA-N 351.472 1.834 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 14184764 AHVYHYNUTQFHDT-HUUCEWRRSA-N 372.421 1.661 0 40 FDAB O=C(c1ccc2ncsc2c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14246617 ODSBUKJWWLXSKB-CYBMUJFWSA-N 365.480 1.241 0 40 FDAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 6608155 XRCDASWNVSMKMV-NSHDSACASA-N 372.377 1.987 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1nccs1 96232609 NVDICMRAXRIWJJ-JTQLQIEISA-N 374.378 1.321 0 40 FDAB CCOC(=O)C1=C(CN(C)CC(=O)Nc2c(C)cccc2C)NC(=O)NC1 7459426 VWZXUICERBJPEG-UHFFFAOYSA-N 374.441 1.304 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(CC(=O)N(C)C3CC3)CC2)c(C)s1 69024980 SPBJHAIMJAGLDA-UHFFFAOYSA-N 371.528 1.292 0 40 FDAB Cc1ncsc1CN1CCOC[C@@]2(CC[C@@H](CN3CCOCC3)O2)C1 306138405 RWWZSWKCZUVEKH-FUHWJXTLSA-N 367.515 1.534 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1N 9609630 BCAJUKPCYYBJMO-SSDOTTSWSA-N 358.192 1.422 0 40 FDAB Cc1cc(CNC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)ccc1F 21550195 HCEFLPYGJVMVIA-QGZVFWFLSA-N 369.396 1.913 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(n2)CCCC3)CC1 89960372 FGCOVBHXVPLEGH-UHFFFAOYSA-N 365.499 1.894 0 40 FDAB CCOc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 26100245 RUCVDMMPJIDTFL-RMKNXTFCSA-N 352.456 1.639 0 40 FDAB C[C@@H]1Cc2c(NC(=O)/C=C\c3ccc4c(c3)OCO4)nn(C)c2NC1=O 35597729 NWAXOLZVGPMUSF-AYYIZTPMSA-N 354.366 1.931 0 40 FDAB COc1cc(OC)cc(C(=O)N2C(=O)CN(C)C(=O)c3ccccc32)c1 40385927 QHVORTZGHQOUHS-UHFFFAOYSA-N 354.362 1.963 0 40 FDAB Cc1ocnc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 194812525 GFWIPGJROZPOKH-UHFFFAOYSA-N 352.394 1.991 0 40 FDAB O=C([C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1)N1CCOCC1 226081805 RHRIVJUZIOOLOH-SFHVURJKSA-N 366.421 1.614 0 40 FDAB O=C(c1cnc2ccccc2n1)N1CCc2nc3ccccn3c(=O)c2C1 225777241 GQCRIKPKABKLOA-UHFFFAOYSA-N 357.373 1.836 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(C)CC1 223377468 JBIUXZAJSRFXOP-MRXNPFEDSA-N 369.487 1.014 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCc1ccnc(N3CCOCC3)c1)C2 225520193 KQMLRMDUPSIBFO-HNNXBMFYSA-N 355.442 1.371 0 40 FDAB Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2C1 96216625 OIDZQMWNYUKJRE-SOUVJXGZSA-N 351.472 1.290 0 40 FDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1 96057232 YQENBWOCWAFJIV-LMMKCTJWSA-N 362.445 1.769 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(Cc3ccccn3)C2)C1 96225796 UWUNQACJMFGJNC-IBGZPJMESA-N 351.410 1.514 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)[C@H]1CCS(=O)(=O)C1 248336819 PDEOGIIKKZCXCM-OUCADQQQSA-N 360.439 1.061 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCOCC2)Oc2ccccc21 247957416 ODFBEHSCYKFGNC-KGZPDETFSA-N 356.422 1.800 0 40 FDAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)s1 248063165 VDYQECOOJAPOLW-OAHLLOKOSA-N 360.483 1.748 0 40 FDAB CN(C)C(=O)c1cnn2c(C3CCN(c4ccncn4)CC3)ccnc12 257209535 BQUBGAQOVLGYMK-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB COCC(=O)N1CC2(CCN(Cc3cncs3)CC2)C[C@]1(C)CO 257219573 DHGWDNSPPHGCIZ-MRXNPFEDSA-N 353.488 1.355 0 40 FDAB O=C(N1CCCCC1)N1CCN(c2nccc(-c3cnccn3)n2)CC1 649234503 WXGPTEXVRZTMHO-UHFFFAOYSA-N 353.430 1.662 0 40 FDAB C[C@]12COC[C@@]1(C)CN(S(=O)(=O)c1ccc3nc(O)nc(O)c3c1)C2 657110205 NWIXQRPAFVOUBW-IYBDPMFKSA-N 365.411 1.088 0 40 FDAB CNC(=O)c1ccc(C(=O)N2CCc3ccc(C(C)=O)cc3CC2)cn1 677333927 DPVMQSZJWSSEKM-UHFFFAOYSA-N 351.406 1.885 0 40 FDAB Cc1ncccc1CN1C[C@@H](c2cncn2C)[C@H](CNC(=O)C2CC2)C1 1775962837 MQJZHZOVDMZPFY-QZTJIDSGSA-N 353.470 1.865 0 40 FDAB CCS(=O)(=O)N1CCCc2cc(NC(=O)N3CCNC3=O)ccc21 96098393 OJTLGVUDIUXFNN-UHFFFAOYSA-N 352.416 1.346 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCCCn1ccnc1 390825800 DDZRDWZLQJJMHE-UHFFFAOYSA-N 352.394 1.863 0 40 FDAB Cc1noc(CC(=O)N2CC[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)n1 585106567 BKFMXRNGBRGRSM-BEFAXECRSA-N 354.410 1.395 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccnc1N1CCCC1 47225918 CBYNESIOTQWGKG-UHFFFAOYSA-N 364.409 1.816 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Cl 40086971 PUHJAEAAUIJCHB-HNNXBMFYSA-N 373.844 1.569 0 40 FDAB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 97975747 XOFYZVNMUHMLCC-MWWUFIQASA-N 358.434 1.766 0 40 FDAB biogenic COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 114628004 YJSDCJXQCWZQGU-GRYCIOLGSA-N 358.435 1.061 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)Nc4c(F)cccc4F)CC3)ncnc21 13534719 HAQPJNDGYAABPT-UHFFFAOYSA-N 374.355 1.391 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 17322118 ZZNSWMSRZVHNMF-AWEZNQCLSA-N 374.462 1.947 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@H](C)N4CCCC4)C3)ncc2C1 19077732 PXYVXLWBKSCFCA-HOCLYGCPSA-N 371.485 1.181 0 40 FDAB Cc1cnc(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cn1 19238822 REJAWSKWJIVTJE-AWEZNQCLSA-N 362.393 1.560 0 40 FDAB CN1CCc2nc([C@H]3CCCN(CC(=O)N4CCCCC4)C3)ncc2C1 19590465 CPYMFTKQVAHVOG-INIZCTEOSA-N 357.502 1.656 0 40 FDAB CCOC1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 19749406 KRQLKBANEKYQAH-UHFFFAOYSA-N 357.414 1.558 0 40 FDAB CC(C)c1noc([C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C2CCOCC2)n1 502669673 NLGNSHBOMJSRST-OCCSQVGLSA-N 350.419 1.255 0 40 FDAB CCCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CCOC)n(C)c1=O 10387019 GMKXEOITPPFTRW-LBPRGKRZSA-N 362.434 1.100 0 40 FDAB O=C1C[C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)CCN1 575616460 LIGYADAOZLKMCI-SNVBAGLBSA-N 371.363 1.107 0 40 FDAB CN1CC[C@@H](N2CCC[C@@H](COc3ncc(Br)cn3)C2)C1=O 1848573069 AXRHCPJWROPBPX-DGCLKSJQSA-N 369.263 1.561 0 40 FDAB Cc1nc(C(F)F)cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888866816 WNDLXSZTHSCHSM-UHFFFAOYSA-N 360.372 1.726 0 40 FDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)C(C)(C)C)C[C@H]4C3)ncnc21 1888866849 GWJPYDZDJHXSCT-OKILXGFUSA-N 372.473 1.413 0 40 FDAB c1cnn(-c2cc(N3CCN(c4nnc(C5CC5)s4)CC3)ncn2)c1 1888879202 MPUMXJSRFKAAPZ-UHFFFAOYSA-N 354.443 1.718 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4c(C)c(C)nc5ncnn45)C[C@H]3C2)n1 1888879491 PQMHILJKYUFGGI-KBPBESRZSA-N 366.429 1.112 0 40 FDAB CC(=O)CCCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037978458 XLURXWUQGMFUFB-IBGZPJMESA-N 362.401 1.919 0 40 FDAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2C(=O)CNC2=O)CC1 253400906 MDUGNRUKAHFVTC-UHFFFAOYSA-N 352.394 1.634 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)on1 1565545382 HGXOPDMICOAELS-UHFFFAOYSA-N 370.409 1.733 0 40 FDAB CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 646153 JWGIOQBIYOBZKA-AWEZNQCLSA-N 350.465 2.000 0 40 FDAB CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438132 REFWCRRIMPYFBA-UHFFFAOYSA-N 367.519 1.781 0 40 FDAB Cc1cccc(NC(=O)CSc2nc(=O)c3cnn(CCO)c3[nH]2)c1 15881206 GZHOHZOAPJRQQT-UHFFFAOYSA-N 359.411 1.151 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C[C@@H](C)O1 16818951 WMAYHSKBJXEXCX-BETUJISGSA-N 364.467 1.710 0 40 FDAB CCc1nc(-c2ccc(N3CCN(C(=O)c4cnccn4)CC3)nc2)no1 44094890 HLTTWNDDTUQFTE-UHFFFAOYSA-N 365.397 1.446 0 40 FDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(Br)s1)OC 575610904 CBNFVIIRUZVISU-SNVBAGLBSA-N 358.279 1.840 0 40 FDAB O=C(C1CC1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 631231523 QAHCVAHHWAZXQJ-UHFFFAOYSA-N 363.425 1.635 0 40 FDAB O=C(N=c1cco[nH]1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575610964 RXEWQKNAZNYIET-AWEZNQCLSA-N 357.391 1.613 0 40 FDAB O=C(Cc1ccccc1)NCCC(=O)N1CCN(Cc2cccnc2)CC1 40033953 HJIMKJVUHXHBLG-UHFFFAOYSA-N 366.465 1.475 0 40 FDAB O=C(CCNC(=O)Cc1ccccc1)NCc1cccnc1-n1cncn1 40108930 NLKJEPNRPFVZGK-UHFFFAOYSA-N 364.409 1.028 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)N3CCC(CC(N)=O)CC3)cnc12 40122608 KTFDILVCWZTRQT-UHFFFAOYSA-N 356.426 1.209 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(Br)s3)CC2)N1 40216686 KXVZRRSIYISQOS-UHFFFAOYSA-N 358.217 1.325 0 40 FDAB COc1c2c(c(S(=O)(=O)N3CCCCC3)c3c1OCO3)CCN(C)C2 40309939 RXIBBARDWLFHGJ-UHFFFAOYSA-N 368.455 1.586 0 40 FDAB biogenic CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cn1C 31668397 IUCKRLGRNYQVLQ-UHFFFAOYSA-N 365.411 1.347 0 40 FDAB O=C(CCNC(=O)[C@@H]1COc2ccccc2O1)N=c1[nH]c2ccccc2[nH]1 20715973 DHSMEPOAQHEFOF-INIZCTEOSA-N 366.377 1.270 0 40 FDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccccc2)c2ccccc21 101461812 UBUYAPKZYMWTTR-SFHVURJKSA-N 365.433 1.958 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ncccn2)CC1 21211695 SWOSCNOJDIRXNY-UHFFFAOYSA-N 365.415 1.121 0 40 FDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C1CCN(S(N)(=O)=O)CC1 47216458 HTWMOIRZSUJTKK-AWEZNQCLSA-N 369.487 1.633 0 40 FDAB COc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc(OC)c1OC 709842 JZQAAHFGKCRDOI-UHFFFAOYSA-N 360.366 1.829 0 40 FDAB O=C(CSCc1cccnc1)NC[C@]1(N2CCOCC2)CCSC1 53808873 OKLMMYNYUAJABE-QGZVFWFLSA-N 367.540 1.639 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](O)CN1c1cccc2ccccc12 839385 CQDUHCJNJLYWPD-LBPRGKRZSA-N 363.377 1.089 0 40 FDAB COc1ccccc1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2650700 PQIQTMBHJGBZMZ-UHFFFAOYSA-N 362.451 1.634 0 40 FDAB NC(=O)CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 54369461 WXRQQCFWZNYZBY-UHFFFAOYSA-N 353.451 1.966 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 6241326 RNTRZMJWDLBLJS-DZGCQCFKSA-N 370.361 1.988 0 40 FDAB Cc1nc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc12 6527692 OKDMFTPDAKWODX-NSHDSACASA-N 351.453 1.334 0 40 FDAB CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C 89977210 SCSUSMZEZLULMV-VVLHAWIVSA-N 350.507 1.950 0 40 FDAB CCOC(=O)N1CCN(c2nc3c(c(NC)n2)C(=O)CC(C)(C)C3)CC1 10157651 ULAODCPJNRJNME-UHFFFAOYSA-N 361.446 1.952 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Cl)c2c(c1)OCCCO2 24806551 SOTHMYCXQKTKNA-ZDUSSCGKSA-N 368.817 1.365 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3C)c1 24994313 OOUZTDAEGXIBGO-OAHLLOKOSA-N 362.455 1.989 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101631040 HXSJRJHSYBSELJ-APYUEPQZSA-N 354.362 1.219 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H](C)O1 3211030 ARJYCHNFBBUCJM-KBPBESRZSA-N 352.456 1.721 0 40 FDAB CCNC(=O)NC(=O)CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 58217376 RBVJETMHWNLFBJ-UHFFFAOYSA-N 365.415 1.427 0 40 FDAB CC(C)[C@H]1NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 12681127 MXRDVLHRJXUYID-GFCCVEGCSA-N 354.204 1.964 0 40 FDAB Cn1cnc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1Cl 27962573 UJIJUJICJHZFIG-UHFFFAOYSA-N 368.846 1.679 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C(=O)N(C)C)CC1 58790388 WEQYZSCEJKKANM-ZDUSSCGKSA-N 362.430 1.084 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 57426483 RYQVFAUZUYMQFG-UHFFFAOYSA-N 372.406 1.359 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)OC)c2)CC1 113972518 JIQOSWPWEIABBW-UHFFFAOYSA-N 354.428 1.473 0 40 FDAB CCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F 48345402 YJKZWGYSSMKHGM-UHFFFAOYSA-N 372.391 1.922 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C(N)=O)CC1 12886462 QNDFJUNLFIDHMK-HNNXBMFYSA-N 365.861 1.818 0 40 FDAB CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](C)C2 20801776 ZOFGDQUMDDDWHA-GFCCVEGCSA-N 369.425 1.839 0 40 FDAB Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccco1 3449032 MWXMCNDCVKBQNN-UHFFFAOYSA-N 355.423 1.929 0 40 FDAB CCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 3523399 FOGJCTORAAOYOU-UHFFFAOYSA-N 355.460 1.570 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 12994370 WEGNXXXBNCCYHN-QGZVFWFLSA-N 354.370 1.797 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(C[C@@H]2Cc3ccccc3O2)CC1 71279480 DIGCUCQGFAZLBE-XIRDDKMYSA-N 358.438 1.491 0 40 FDAB Cc1cc2n(n1)C[C@H](CNC[C@]1(N3CCOCC3)CCSC1)CN2 65474708 ZFGZGIKPWCZDES-NVXWUHKLSA-N 351.520 1.031 0 40 FDAB CC(C)CCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711111 YQRRHQKSNCEJJN-UHFFFAOYSA-N 365.449 1.653 0 40 FDAB CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C)sc2c1CCCC2 6758908 JKXCNTSKDUUHOH-UHFFFAOYSA-N 367.471 1.420 0 40 FDAB COc1ccccc1C(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 14807544 AJHWEVWDZIBCRQ-UHFFFAOYSA-N 355.412 1.093 0 40 FDAB CSc1ccc(CN(C)C(=O)CSc2nc(N)nc(N)n2)cc1 7020693 KUDFZTYBISYXBJ-UHFFFAOYSA-N 350.473 1.509 0 40 FDAB Nc1nc(N)nc(COC(=O)c2ccccc2C(=O)c2cccs2)n1 7719985 WJAPSDDOCRMLET-UHFFFAOYSA-N 355.379 1.686 0 40 FDAB CCc1nsc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 97019902 PNBWFYYQVWPGIB-OAHLLOKOSA-N 357.483 1.464 0 40 FDAB COc1cc(C(=O)N(C)C[C@@H](C)C(=O)O)c([N+](=O)[O-])c(OC)c1OC 95956969 RJVMJLPWBCCYKL-MRVPVSSYSA-N 356.331 1.413 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)[C@@H]1CCCOC1 547699068 ZBGVRKYAESLMOV-ILXRZTDVSA-N 365.453 1.344 0 40 FDAB COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H]1CCC(=O)N1C 502098902 PICXWMAZTKMBRI-OAHLLOKOSA-N 361.442 1.870 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408656355 MAEBFSCZBRPSDY-GSANIGMUSA-N 372.377 1.324 0 40 FDAB C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 62021706 RLXXINHWENISOE-QGZVFWFLSA-N 352.456 1.362 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 71284526 XJZBECJOCWJOTR-QWHCGFSZSA-N 352.412 1.522 0 40 FDAB Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 70655678 BBDDLCIJMIYITP-UHFFFAOYSA-N 370.456 1.157 0 40 FDAB COc1nn(C)cc1C(=O)Nc1nn(C)c2c1[C@@H](c1ccco1)CC(=O)N2 44213456 WFDFOBPQDFTAAD-SECBINFHSA-N 370.369 1.482 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 585110709 FFKHMHAWFCRZOQ-FQEVSTJZSA-N 373.453 1.308 0 40 FDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1c(C)noc1C)CC2 96260307 OKDJASTXPOUOIU-UHFFFAOYSA-N 357.458 1.713 0 40 FDAB Cn1nccc1-c1cnc2n1CCNC21CCN(C(=O)C2(C)CC2)CC1 96145042 RXYLQTBVQBSAGV-UHFFFAOYSA-N 354.458 1.505 0 40 FDAB O=C(c1cccs1)N1CCOC[C@@]2(C1)CN(c1ccccn1)C(=O)CO2 96051374 BJYUAVFTXMOQLA-GOSISDBHSA-N 373.434 1.418 0 40 FDAB CNC(=O)[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96079309 NKSGFYDYIYQZLH-HNNXBMFYSA-N 350.422 1.884 0 40 FDAB Cc1ccc(OC2CCN(S(=O)(=O)c3cnnn3C)CC2)cc1C 330033654 AKHCUUBMHCPUHR-UHFFFAOYSA-N 350.444 1.664 0 40 FDAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCc2ccncc2)C1=O 96232597 MWBXAOOCHMQJPM-HNNXBMFYSA-N 368.393 1.217 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)CCn2ccnc2)CC1 257250996 JOYAKTZCVRLCNV-UHFFFAOYSA-N 356.430 1.106 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1 257209895 BSIJMFKFMSKXIY-QUCCMNQESA-N 373.497 1.825 0 40 FDAB CCCn1nc(C)c(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)c1C 257298076 RKADCRNHSGXJCU-GOSISDBHSA-N 358.446 1.071 0 40 FDAB C[C@@H]1OC2(CCN(C(=O)Cc3cc(Cl)cc4c3OCC4)CC2)NC1=O 1615591678 OQXHBOYNSOXIEO-NSHDSACASA-N 364.829 1.671 0 40 FDAB Cn1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)nn1 96103612 JJNYJMCHYRNANW-UHFFFAOYSA-N 351.366 1.859 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccc3nsnc3c2)c1=O 90590919 RWOGONRMRMEBTA-UHFFFAOYSA-N 372.332 1.035 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CCN(C2CCC2)C1=O 624217638 BEJBDVLHDVMODZ-RHSMWYFYSA-N 360.433 1.857 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2c(OC)cnc3ccccc23)C1 644034362 PGEXEPBEYCZKGI-IBGZPJMESA-N 357.410 1.347 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Cl)cc1OC 643972319 OKAVTSOMRFDUPU-AWEZNQCLSA-N 363.819 1.603 0 40 FDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CC[C@@H](n2cccn2)C1 291184756 KWSUMOWNRSVNSL-MSOLQXFVSA-N 352.438 1.890 0 40 FDAB O=S(=O)(NC[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1Cl 657087307 XZNIGCDYVMLRSZ-CYBMUJFWSA-N 370.254 1.440 0 40 FDAB COCCn1ccc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)n1 585099036 FITLTXURPYHKFO-MRXNPFEDSA-N 359.430 1.177 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](O)C2)C3)[nH]1 585103167 FBZCCLZKTVOZCZ-CVEARBPZSA-N 362.474 1.186 0 40 FDAB CN1Cc2ccccc2[C@H](NC(=O)c2cnc(C3CCNCC3)[nH]2)C1=O 685941933 JNNIOMCDJSSLTJ-INIZCTEOSA-N 353.426 1.320 0 40 FDAB COCCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 65541460 RGPNNJHLZQYSQJ-ZDUSSCGKSA-N 353.850 1.387 0 40 FDAB O[C@H]1[C@H](NCc2nccs2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844880 QOQJGHDUQOITSF-FYNNLBNCSA-N 358.423 1.308 0 40 FDAB biogenic,in-vitro CC(=O)N1CC2(CCN(C(=O)CN3CCOCC3)CC2)Nc2ccccc21 72327186 LSIVZIBAJIBBOZ-UHFFFAOYSA-N 372.469 1.158 0 40 FDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(N2CCCNC2=O)c1 81408573 FZZPJADGCCXHPQ-CYBMUJFWSA-N 370.375 1.973 0 40 FDAB CN1CCN(c2cc(CNC(=O)c3cnn(C(C)(C)C)c3)ccn2)CC1 56793124 VKRRLMNUIHZQIF-UHFFFAOYSA-N 356.474 1.715 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)OCCN1C(=O)c2ccccc2C1=O 39223334 JWHXGPLQIIEYJR-NSHDSACASA-N 356.334 1.237 0 40 FDAB O=C(Cc1ccccn1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615160757 JSCGMTHBCPXRTL-ZWKOTPCHSA-N 350.459 1.545 0 40 FDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc2c(c1)OCO2 5204585 LZHMNVNANOFYIZ-CYBMUJFWSA-N 371.345 1.783 0 40 FDAB O=C1NC2=C(C(=O)N(CCN3CCCCC3)C2)[C@@H](c2cccc(F)c2)N1 12113448 KCDXIXXQFFPQRO-QGZVFWFLSA-N 358.417 1.762 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 12945917 HCNBMWSBFPQATH-GJZGRUSLSA-N 356.378 1.144 0 40 FDAB CC(=O)N1CCc2c(O)nc([C@H]3CCN(C(=O)C4CCCCC4)C3)nc2C1 19019069 NLBHFEJTNKNNNL-HNNXBMFYSA-N 372.469 1.983 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cncc(Cl)c1 659997899 FDJFGXBELNXADV-GXFFZTMASA-N 356.835 1.525 0 40 FDAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 3360114 OYFPNBMNRABXPA-GFCCVEGCSA-N 373.356 1.853 0 40 FDAB O=C([C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCSCC1 1889101381 KGQZSYDLWXBWRM-LLVKDONJSA-N 361.389 1.881 0 40 FDAB CO[C@H]1CCN(c2ccc(C(=O)NCc3csc4ncnn34)cc2)C1 245171649 XOJNCEBTABBOIR-HNNXBMFYSA-N 357.439 1.946 0 40 FDAB Cn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@@H]2COCC1CC1 1614934361 VUPZQNLXJLLIQO-MRXNPFEDSA-N 359.405 1.444 0 40 FDAB Cc1cc(CN2C[C@H](C(=O)NCC(F)(F)F)C3(CCOCC3)C2)n[nH]1 1565543395 OPAKHJUTDMRENY-CYBMUJFWSA-N 360.380 1.625 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)n1 1565554851 HJHHPJBFRQJBHX-ARFHVFGLSA-N 357.414 1.047 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565544688 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O=C(NCc1cccnc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6669512 UROUHZNCYQHZAL-CLWJZODNSA-N 353.422 1.422 0 40 FDAB COc1ccc(CNC(=O)N2CCN(C[C@H](O)c3ccco3)CC2)cc1 85466847 MNTYGUQVVUBEHP-KRWDZBQOSA-N 359.426 1.849 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1 85560451 IUOALZZENTZAGW-HXUWFJFHSA-N 354.406 1.670 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)c1 25410592 IXOYMMSJIYBWBJ-ZIAGYGMSSA-N 351.472 1.785 0 40 FDAB CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCCC1 40461090 YEIHIUYCTILLDS-UHFFFAOYSA-N 353.488 1.541 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20567011 RFJJEHFIBDNUEV-VUEVPFMTSA-N 361.829 1.880 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)CC1 21666049 YXOMBFHPJNKCOZ-LLVKDONJSA-N 361.423 1.532 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccnc2Cl)CC1 32904545 YMQSQKQFNIRHOT-UHFFFAOYSA-N 360.867 1.079 0 40 FDAB O=C1CCc2cc(OC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)ccc2N1 102885444 GULFADYWBYKABC-BMEPFDOTSA-N 366.373 1.284 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1ccc(N2CCNC2=O)cc1 47121954 BYELCRCGOJYYIV-UHFFFAOYSA-N 363.381 1.122 0 40 FDAB Cc1c(C)n(C[C@@H](O)CN2CCN(CCO)CC2)c2c(Cl)cccc12 22918312 YRAVXVBOUFWHEE-INIZCTEOSA-N 365.905 1.882 0 40 FDAB O=C(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccnc1 2115017 GQHUSONDURUMQW-JSGCOSHPSA-N 354.435 1.377 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)N3CCOCC3)C2)cc1 3073090 DYUGSSRXMXKGHT-UHFFFAOYSA-N 353.444 1.101 0 40 FDAB CC[C@@H](C)NC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C 6800327 OEPPPDREOXARRB-LLVKDONJSA-N 351.428 1.473 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 24084987 QJSGZMCEVUIRPT-CYBMUJFWSA-N 355.346 1.589 0 40 FDAB CCN1C(=O)C(=O)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O 54914061 HWHQOWHQFCCTOR-UHFFFAOYSA-N 355.350 1.520 0 40 FDAB CCOC(=O)c1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 12547961 PATNSSUJBKFBRZ-UHFFFAOYSA-N 369.381 1.142 0 40 FDAB COc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 8203628 JSDZFZGULCRORA-UHFFFAOYSA-N 363.439 1.947 0 40 FDAB C[C@@H](On1nnc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 25392917 SKHXWMRNYUPFGV-MRXNPFEDSA-N 365.437 1.593 0 40 FDAB COc1ccccc1NC(=O)[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1 58161352 GRBHIQXELWUISZ-GFCCVEGCSA-N 363.439 1.459 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)c1nc(N2CCOCC2)ncc1Cl 44404155 MRPZIQIZNRJYGO-LBPRGKRZSA-N 370.837 1.284 0 40 FDAB CCOc1ncccc1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 27583893 VBFSBZUWRPXRPL-HNNXBMFYSA-N 371.372 1.678 0 40 FDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 58218981 GUUMHIGIAXVKDN-CQSZACIVSA-N 356.426 1.160 0 40 FDAB Cc1cc(O[C@@H](C)C(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2129400 LEVXTFYBTAZILY-NSHDSACASA-N 359.378 1.948 0 40 FDAB biogenic CO[C@@H]1CCN(C(=O)c2ccnn2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 108527061 SXHUFUKMLLXHRL-CGTJXYLNSA-N 355.442 1.177 0 40 FDAB COc1ccc(CN(C)C(=O)COC(=O)CCN2CCSC2=O)cc1 58465668 FQVJDACVLCPHFJ-UHFFFAOYSA-N 366.439 1.756 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3cn4ccccc4n3)CC2)no1 58407271 BBEHPWDZZDQXQN-UHFFFAOYSA-N 354.414 1.387 0 40 FDAB O=C1CN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CCN1 12741397 PWUXVSWLTHZSMT-QGZVFWFLSA-N 350.374 1.713 0 40 FDAB Cc1cccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cscn4)[C@H]3C2)n1 306128307 GWUACANHHMPJOF-FRFSOERESA-N 358.467 1.723 0 40 FDAB CNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](C)C2 20801787 FQKNBUCQTNFDPI-GFCCVEGCSA-N 353.430 1.400 0 40 FDAB O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 4184327 VXGRSEZVRLMBEG-RRHJKOLHSA-N 356.513 1.381 0 40 FDAB O=C(CN1CCOCC1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 93242624 SADULGNSURPLBY-HUUCEWRRSA-N 358.360 1.672 0 40 FDAB CC(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 5000038 OLHRDJPCAAXSRX-UHFFFAOYSA-N 365.433 1.931 0 40 FDAB O=C(COc1cccnc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005350 LCEDVJFYBUBWDH-INIZCTEOSA-N 367.471 1.313 0 40 FDAB O=C(COc1ccc2oc3c(c2c1)CCCC3)N[C@@H]1CCS(=O)(=O)C1 13985568 MCKWYQRNENLGFB-GFCCVEGCSA-N 363.435 1.994 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2=O)cc1 5204465 ZWRVRDIUIDOMLA-GJZGRUSLSA-N 373.453 1.565 0 40 FDAB CCOc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679629 MNFWZQDDXXRQGV-UHFFFAOYSA-N 359.407 1.799 0 40 FDAB COc1ccc2c(C)c(CC(=O)N3CCC[C@H](C(=O)O)C3)c(=O)oc2c1 6624272 BIGMPAHMSGWCRE-LBPRGKRZSA-N 359.378 1.976 0 40 FDAB biogenic CC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 5689118 ZVRQAMRBXDGKGO-GFCCVEGCSA-N 373.500 1.109 0 40 FDAB O=C(CSc1nnc(C2CC2)o1)NC(=O)[C@@H]1COc2ccccc2O1 8245332 UHYLIZBIYKMDMI-LBPRGKRZSA-N 361.379 1.522 0 40 FDAB COc1ccc(NC(=O)C(=O)NCc2cn3c(C)cccc3n2)c(OC)c1 69563744 PNNWINQOLLWAHL-UHFFFAOYSA-N 368.393 1.915 0 40 FDAB O=c1c2ccccc2ncn1CCS(=O)(=O)N1CCc2ccccc2C1 8848385 RDHBNBMBOQHJOY-UHFFFAOYSA-N 369.446 1.785 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccncc2F)c1 95444315 LCQJQJRTQSXMPH-UHFFFAOYSA-N 368.342 1.595 0 40 FDAB COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC 9888058 GWEVXTHQRHMSGU-UHFFFAOYSA-N 372.377 1.973 0 40 FDAB O=C(c1scnc1Br)N1CC[C@@H](CN2CCOCC2)C1 95993027 KUUKAZDTTJKNEL-JTQLQIEISA-N 360.277 1.700 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cccc(C(N)=O)n2)n1 95960853 IUDFJTUOQAJENW-UHFFFAOYSA-N 351.366 1.936 0 40 FDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccccc2)cc1 408786647 UKKXIZZXISIYOK-UHFFFAOYSA-N 362.451 1.294 0 40 FDAB Cc1cc(N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)n2ncnc2n1 306124107 BGGAMYHGJZBNAP-INIZCTEOSA-N 366.425 1.782 0 40 FDAB CN1CCN(C(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)CC1 20546732 IYZFRKTYKFAIQQ-UHFFFAOYSA-N 369.469 1.372 0 40 FDAB O=C(NCCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 409003034 QRXDVJYYZBHNBV-AEFFLSMTSA-N 354.406 1.980 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CCC21CCN(Cc2ccsc2)CC1 306127906 GKKSBXLJFSGATR-UHFFFAOYSA-N 360.483 1.985 0 40 FDAB Cn1c(=O)ccn(CC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)c1=O 514941115 WGPATQZYDUIMNW-IBGZPJMESA-N 359.401 1.310 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)c3cncc(C(F)(F)F)c3)CC2)C1=O 515377212 LQMKWUSIJRKNRX-AWEZNQCLSA-N 370.375 1.525 0 40 FDAB COC(=O)c1cn(NC(=O)c2ccc(OC)c(OC)c2)cc2c(O)nnc1-2 524735216 GVQKSBXJOQHJSB-UHFFFAOYSA-N 372.337 1.276 0 40 FDAB CSCC[C@H](NC(=O)CCn1cnnn1)c1nc2ccccc2n1C 524735536 IGKXJAGMGWUIGB-ZDUSSCGKSA-N 359.459 1.561 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655977 HZYOUMWUTXJZMY-HNNXBMFYSA-N 363.425 1.590 0 40 FDAB COc1cccc(CN2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)c1 36615511 PFYPPBICGOYOTM-UHFFFAOYSA-N 358.398 1.085 0 40 FDAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1 72346654 VIODBVHDTGVOAW-UHFFFAOYSA-N 374.462 1.538 0 40 FDAB CCCS(=O)(=O)N1CCN(CCNC(=O)c2ccc(C)s2)CC1 72242748 RNSIGUXHALHPIX-UHFFFAOYSA-N 359.517 1.144 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1 225757176 CUCOTLYQKKJHMJ-UHFFFAOYSA-N 371.437 1.919 0 40 FDAB CCCNC(=O)N1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 225465768 USIHVDIGDJTREP-CYBMUJFWSA-N 368.503 1.113 0 40 FDAB biogenic,in-vitro COc1cncc(O[C@H]2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n1 225392994 IWQOAYMSFOOEEP-KQIUPUNMSA-N 369.377 1.907 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCOC 224772452 PTXBADOMICOTNI-HNNXBMFYSA-N 358.460 1.393 0 40 FDAB C[C@H]1Cc2cccc3c(=O)c(C(=O)NCCSc4ncn[nH]4)cn1c23 225861636 MSNPBAJQKCCOBE-JTQLQIEISA-N 355.423 1.759 0 40 FDAB COc1ccc([C@H]2CN(C(=O)CN(C)Cc3ccccn3)C[C@@H]2N)cc1 91596015 IGRKQNYRKJSYSQ-MOPGFXCFSA-N 354.454 1.475 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1ccccn1)C2 96238252 DZSMFUBLODRJAG-SFHVURJKSA-N 356.451 1.987 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1 96123387 SRIWASAKMHXQFM-UHFFFAOYSA-N 364.427 1.994 0 40 FDAB CC(C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(c3ncccn3)C[C@H]12 96262188 LFPATEZACFPOLA-LSDHHAIUSA-N 357.458 1.066 0 40 FDAB COc1ccc(CN2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cc1 96049238 YRUBXSHOXUKYDA-UHFFFAOYSA-N 368.437 1.883 0 40 FDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(F)c3)C[C@H]1O2 96253020 SYLYAUSIYBSHOF-IXDOHACOSA-N 361.417 1.651 0 40 FDAB O=C1COC2(CCN(Cc3ccccn3)CC2)CN1Cc1ccccn1 96049212 MBFKBWKNMXNNAD-UHFFFAOYSA-N 352.438 1.870 0 40 FDAB C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 96086415 VZZBVNLFHYEUHM-CEYJTUKCSA-N 370.449 1.244 0 40 FDAB biogenic CCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230232 NQUHMJFFFHSEEE-ZTENYAIWSA-N 360.410 1.370 0 40 FDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1)NC1CC1 604382020 ZFIGMIXEPFGTJT-SZVRAQGESA-N 374.428 1.108 0 40 FDAB biogenic,in-vitro Cc1nc(-c2ccnn2C)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257254036 KBHRLWGKKWBXQX-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1noc2c1CCCC2 257205392 AYUYFGNGZJCDJR-SFHVURJKSA-N 357.414 1.057 0 40 FDAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257259218 KXJKMVGHRROBAS-SZVBFZGTSA-N 353.426 1.812 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 250940660 IVWKPVUYITVDQV-BCUIYNNISA-N 350.440 1.518 0 40 FDAB c1ccc(Sc2cc(N3CCOCC3)nc(N3CCOCC3)n2)nc1 1615627364 NDCUJVNQXFKLRP-UHFFFAOYSA-N 359.455 1.696 0 40 FDAB Cc1cccc(-c2cncc(C(=O)N3CCC[C@@](O)(CC(N)=O)C3)c2)c1 644004165 AERCLANUCLCDIH-HXUWFJFHSA-N 353.422 1.900 0 40 FDAB COc1ccc(C(=O)N2CC3(CN(C)C[C@@H]3c3n[nH]c(C)n3)C2)c(F)c1 1775958324 QZTYREDZDZMQDC-CQSZACIVSA-N 359.405 1.432 0 40 FDAB O=C([C@@H]1Cc2ccccc2O1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575402946 FYAPWWUIVHUWIL-RDJZCZTQSA-N 367.405 1.619 0 40 FDAB Cc1cncc(CN2CCC[C@@]3(CC(C(=O)NCC(F)(F)F)=NO3)C2)n1 585101127 GRLAFMIMBFJHEK-OAHLLOKOSA-N 371.363 1.574 0 40 FDAB CCOc1cc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)c(F)cc1OC 685940914 KDFGRVPIJHALAH-WMLDXEAASA-N 351.378 1.892 0 40 FDAB O=C(c1cccc(I)c1)N1CCN(CCO)CC1 35106976 RKBNEQUGTIVMKQ-UHFFFAOYSA-N 360.195 1.041 0 40 FDAB O=C(CN1CCCCCCC1=O)NCc1ccc(C(=O)NC2CC2)cc1 57404110 OWHDDNDPDYAOHU-UHFFFAOYSA-N 357.454 1.988 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cccc(Br)c1 1615158778 ULGXVAPMSLUSKP-MCIONIFRSA-N 358.232 1.950 0 40 FDAB CN1C[C@]2(CO)C(O)[C@](CO)(C1)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 5766601 HGOIZBXGKQHHEE-XBOCFXMGSA-N 369.461 1.763 0 40 FDAB Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 11520835 ZCGAUXNBZMURHM-UHFFFAOYSA-N 354.435 1.827 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 12983774 ARRIFFPYILCKHD-INIZCTEOSA-N 370.471 1.108 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496213 RTVJRJLMDQXMFP-ZBFHGGJFSA-N 373.501 1.423 0 40 FDAB COc1ccccc1C(=O)N1CC[C@H](c2nn(CCN)c3nccnc23)C1 19568601 KXUFVDLACRTJEB-ZDUSSCGKSA-N 366.425 1.423 0 40 FDAB O=C1CN(C(=O)CN2CCN(C3CCCC3)C(=O)C2)c2ccccc2N1 19658119 GFAVDTXIVLZSNL-UHFFFAOYSA-N 356.426 1.059 0 40 FDAB CCN(C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)C1CCN(C)CC1 19660329 YMPQNMXEMNXIHA-INIZCTEOSA-N 358.442 1.444 0 40 FDAB CC(=O)N[C@@H]1CN(C(C)=O)C2(CCN(C(=O)CCc3ccccc3)CC2)C1 19704874 FSRBHTOKVQXTHT-IBGZPJMESA-N 371.481 1.737 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)COC(C)C)C2)n1 19739106 YQAXWIVMSIOHDA-QGZVFWFLSA-N 360.502 1.883 0 40 FDAB COC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 205759849 NLKITIABTMUIER-KPKJPENVSA-N 361.379 1.086 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 15328635 NJRZWRSGZZSPAO-UHFFFAOYSA-N 363.391 1.723 0 40 FDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3610506 MURNJBVVIUEXQN-HNNXBMFYSA-N 368.231 1.742 0 40 FDAB CCNC(=O)NC(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 10045178 JNZCFWRULGPEKE-UHFFFAOYSA-N 359.382 1.972 0 40 FDAB Cn1c(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)nc2ccccc21 1888854697 ROEFCROHCYTSIN-HOTGVXAUSA-N 354.454 1.895 0 40 FDAB O=C([C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCSCC1 1888882299 XVKZHLFQXHWJFG-QGZVFWFLSA-N 373.522 1.863 0 40 FDAB CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3ccccc3)C2)C1 1614927762 BLURAIVTLLMIEL-PREGVCBESA-N 367.453 1.599 0 40 FDAB CCc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cn1 1615102658 XDHIMTZXGUNZSS-CQSZACIVSA-N 351.414 1.404 0 40 FDAB CCc1cc(=O)[nH]c2nnc(SCC(=O)N3CCc4ccccc43)n12 9018227 PHQKKYXREUJQPL-UHFFFAOYSA-N 355.423 1.661 0 40 FDAB Cc1nc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)cs1 2055793578 ZBEUSDDKMVZILI-KRWDZBQOSA-N 374.470 1.369 0 40 FDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)O1 2055794338 LLMCDSUEZYCNRH-JYJNAYRXSA-N 374.485 1.672 0 40 FDAB Cn1nccc1C(=O)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974527 IRMSNLQVQACRNC-UHFFFAOYSA-N 353.357 1.480 0 40 FDAB Cc1cc(CCC(=O)NCCOCCN2C(=O)CCC2=O)ccc1F 575621213 ZIDAXCQQEUTGIP-UHFFFAOYSA-N 350.390 1.349 0 40 FDAB CSCC[C@H](NC(=O)C1CC1)C(=O)NCCCn1nc(C)cc1C 40072659 JMCNDZYGLOSNPO-HNNXBMFYSA-N 352.504 1.654 0 40 FDAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 40106290 YCNSVFZLPLGYDB-AWEZNQCLSA-N 366.483 1.752 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc2c(c1)OCCO2 40162215 LSVJJNYTDGOMIW-NSPYISDASA-N 373.409 1.356 0 40 FDAB CC(=O)N1CCN(CCNC(=O)c2cccc(Br)c2)CC1 32928128 SBBKWLAOJLTQSX-UHFFFAOYSA-N 354.248 1.343 0 40 FDAB COc1nonc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2192585 YIOUWJYZSWYJEI-UHFFFAOYSA-N 358.354 1.873 0 40 FDAB Cc1ccc(C)c(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 3611674 OGGLDJSUAUVSKZ-UHFFFAOYSA-N 362.451 1.689 0 40 FDAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(Cl)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4275851 ZWTDRTNLJKBYAO-LEOABGAYSA-N 371.817 1.461 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 6847991 PBQSOYUQUYWTCE-WNKDZCFJSA-N 353.378 1.607 0 40 FDAB O=C(NC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 107430641 IDKBWUAEUCXKCW-IZZQQSIFSA-N 360.385 1.532 0 40 FDAB biogenic,in-vitro O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccoc2)CC1 25238376 CGIDXRSDJXRSMY-UHFFFAOYSA-N 356.378 1.926 0 40 FDAB Cc1cccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 12542333 IATWHZRIUZSJSP-UHFFFAOYSA-N 374.466 1.997 0 40 FDAB NS(=O)(=O)CCNC(=O)c1cc2ccccc2n1Cc1ccccc1 56863195 NWNZDELHMOEGNN-UHFFFAOYSA-N 357.435 1.708 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc[nH]3)CC2)s1 35338925 LZYRTHIBZZMZBT-UHFFFAOYSA-N 353.469 1.574 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1(c2ccc(F)cc2)CC1 108457144 WDXQXNLLGKIQCK-IYVPYFHTSA-N 354.381 1.738 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 28871599 AIRFCHJAWKVTAN-STQMWFEESA-N 361.398 1.125 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2CC)C(=O)N1 10385119 RURXPOBRUHSWRQ-KGLIPLIRSA-N 350.440 1.741 0 40 FDAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3nnnn32)cc1 45896137 HUFATHNLJPMOIH-HNNXBMFYSA-N 359.386 1.550 0 40 FDAB O=C(CSc1nnnn1C1CC1)N1CCN(Cc2cccs2)CC1 23717947 CAAVWBZDQCUDJQ-UHFFFAOYSA-N 364.500 1.506 0 40 FDAB Cc1ccccc1NC(=O)c1sc2ncn(C[C@@H](O)CO)c(=O)c2c1C 11990436 VTNPDAPTLKHXGX-GFCCVEGCSA-N 373.434 1.680 0 40 FDAB COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccncc3)o2)CC1 2643385 DQFRAAYVRGIYOW-UHFFFAOYSA-N 362.411 1.635 0 40 FDAB COc1ccc2cnn(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)c(=O)c2c1OC 61721248 UQAGHUKJCHLUCS-VNHYZAJKSA-N 369.421 1.742 0 40 FDAB CCOC(=O)C(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 13690626 UGLUETNXPCGCED-UHFFFAOYSA-N 357.410 1.334 0 40 FDAB CN(CC(=O)NCc1ccccc1F)Cc1nc2ccccc2c(=O)[nH]1 14180616 YMUGVHDIDXJDQO-UHFFFAOYSA-N 354.385 1.810 0 40 FDAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(=O)n2ccccc2n1 14762408 IXILYVIGOCFWRN-BOPFTXTBSA-N 363.373 1.915 0 40 FDAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCC)cc1 5870363 UJYSLYMILAYAAA-UHFFFAOYSA-N 350.415 1.665 0 40 FDAB CN(C)CCOc1ccc(CNC(=O)NCCCN2CCOCC2)cc1 97393936 DOLYCGLFKBTAIA-UHFFFAOYSA-N 364.490 1.149 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2C[C@@H](C)OC2=O)c1 8392470 WRUFBZZYJZZYTB-YGRLFVJLSA-N 373.402 1.717 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 27926247 OBUAFKSVQXYSQE-UHFFFAOYSA-N 367.254 1.476 0 40 FDAB Cc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 8718136 AQGVHGFNBHTXEU-AWEZNQCLSA-N 365.455 1.106 0 40 FDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3cccc(OC)c3n2)NC1=O 22607740 ILKTVZWFPLUOPQ-SNVBAGLBSA-N 357.370 1.024 0 40 FDAB O=C1CCc2cc(S(=O)(=O)Nc3nncn3-c3ccccc3)ccc2N1 95453629 HEXGFRLNLVNQJQ-UHFFFAOYSA-N 369.406 1.953 0 40 FDAB CCN1CCOC[C@H]1C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 95461541 ASXUNFRFIPSUKC-HNNXBMFYSA-N 350.806 1.685 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 9748191 FMIDHBKCTNQEJX-NSHDSACASA-N 357.453 1.722 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 408610751 VOYIXKRNMSSEAG-UHFFFAOYSA-N 370.471 1.249 0 40 FDAB CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1 39986841 FTPASXWDSLIMFB-UHFFFAOYSA-N 356.488 1.937 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)ccc1F 510455043 ARSZOKLLLCQBBE-OAHLLOKOSA-N 366.418 1.947 0 40 FDAB COC(=O)c1cn(NC(=O)C[C@H]2CCOC(C)(C)C2)cc2c(O)nnc1-2 524733164 AIIBJZLWYAWKAO-SNVBAGLBSA-N 362.386 1.541 0 40 FDAB CCN(C)Cc1cccc(CNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)c1 70893862 NJHAZPIWRSFWHN-MRXNPFEDSA-N 371.485 1.671 0 40 FDAB C[C@@H]1C[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)CO1 566734765 HWZHZAGCLHBWLO-RQJHMYQMSA-N 353.213 1.825 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cccn2)nn1 70641214 WTZWFFPRGOQZEV-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1 72394723 ZKDGKJDMLMKKAY-OALUTQOASA-N 353.466 1.908 0 40 FDAB O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1cccnc1 49521016 BRSXTYXPRVZJCI-UHFFFAOYSA-N 367.453 1.349 0 40 FDAB COc1ccc(Cl)cc1C(=O)NCc1nccc(N2CCOCC2)n1 224170049 XTYALYVWLVZYFW-UHFFFAOYSA-N 362.817 1.905 0 40 FDAB COc1ccc2c(c1)OC[C@@H](NS(=O)(=O)c1ccc3c(c1)CCO3)C2 329162679 FXSTYUOWRJTJJG-AWEZNQCLSA-N 361.419 1.912 0 40 FDAB CN1CCN(c2ccc(CNC(=O)c3cccc(C(=O)O)c3)cn2)CC1 570963289 VKMKKJJEBXJTJG-UHFFFAOYSA-N 354.410 1.462 0 40 FDAB CCc1nc([C@H]2CN(C(=O)[C@H]3CCCN3c3ccccc3)CCO2)n[nH]1 329890820 GVIPMZOGBRVSET-HZPDHXFCSA-N 355.442 1.936 0 40 FDAB CN(C)CCN1CC[C@]2(CN([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201882 CWIYFXSQUQAHJL-SVFBPWRDSA-N 357.498 1.655 0 40 FDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1cccc(C(=O)O)c1)C2 514289202 JJSPPOIOGKAUDQ-RBUKOAKNSA-N 373.497 1.346 0 40 FDAB biogenic,in-vitro O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158841 GZGSVXVZVATDEQ-UHFFFAOYSA-N 353.426 1.379 0 40 FDAB Cc1ccccc1N1C[C@]2(COCCN(Cc3nccn3C)C2)OCC1=O 96240107 ADMRNHZEBQOWJV-HXUWFJFHSA-N 370.453 1.363 0 40 FDAB O=C(Nc1nc[nH]n1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95474750 HZJBWBNUNZVPPG-UHFFFAOYSA-N 355.807 1.640 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@@H]21 96043503 PRLFQACWSHYZBI-BRWVUGGUSA-N 353.426 1.737 0 40 FDAB COc1ccc(N2CCC[C@@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nn1 96232668 RAFDHVGXMYFRAL-CYBMUJFWSA-N 366.425 1.894 0 40 FDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1cccnc1 96062029 QHRBECZDBKYVAT-HNNXBMFYSA-N 354.458 1.243 0 40 FDAB Cc1occc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 248009131 IJILRAPQALTQCB-AWEZNQCLSA-N 353.440 1.644 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)N3CCC[C@H](O)CC3)nc(C)n2)CC1 257256258 KKSHIYYMUKHICD-INIZCTEOSA-N 374.485 1.672 0 40 FDAB O=C(CN1CCCC1=O)NC[C@H]1CC[C@H](c2n[nH]c3nccnc32)CC1 257296786 REKCCVQOSRETRC-JOCQHMNTSA-N 356.430 1.365 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cnc3ccccc3c1)C2 253380533 AXIYGFAJFNUCTJ-MRXNPFEDSA-N 374.462 1.901 0 40 FDAB COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)CC2 612300007 AIRQTJIRBKXGHW-QMMMGPOBSA-N 371.319 1.289 0 40 FDAB Cn1cc(O[C@@H]2CN(C(=O)c3ccncc3C(F)(F)F)C[C@H]2O)cn1 628261923 PHKRMOXECJFZLE-CHWSQXEVSA-N 356.304 1.098 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 1615205112 XRJFAECSIZMAPZ-BZUAXINKSA-N 372.512 1.228 0 40 FDAB Cc1nnc([C@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@@H](C)O2)o1 661930678 OCQDCHFGEAGUQT-IUODEOHRSA-N 355.398 1.656 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ncnc(-n2cccn2)c1N 664502909 MLUATONUQQSDEW-SWLSCSKDSA-N 354.418 1.558 0 40 FDAB Cc1c(NC(=O)c2cnc3[nH]cnc3c2)cccc1C(=O)N1CCOCC1 677867784 CSONGRSYMZRXCA-UHFFFAOYSA-N 365.393 1.991 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc2cccnc12 647928109 DWWXDSAXFILWAR-INIZCTEOSA-N 371.418 1.745 0 40 FDAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)cs1 575403274 HMAFNRMGSUEKDO-AWEZNQCLSA-N 360.439 1.832 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)cc1 585111471 BAVKDYVQZWRRPU-QGZVFWFLSA-N 360.483 1.830 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21 585112550 RCQNKVXUTYUPPK-CYBMUJFWSA-N 372.853 1.782 0 40 FDAB Cc1nn(C)c2nc([C@@]3(C)CCCN(S(=O)(=O)N(C)C)C3)ccc12 585178929 VLJVAGLXWAWSBI-INIZCTEOSA-N 351.476 1.437 0 40 FDAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cnccn1 585098021 QLEKMGQBPKYVQN-ZDUSSCGKSA-N 354.414 1.055 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc(OC)c4)CC3)[C@H]2C1 585106155 SQDZPGYHSGNAFP-MSOLQXFVSA-N 371.481 1.758 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2ccccc2)[C@@H](O)C1 585284355 KFVLNBNZGKRATR-FPOVZHCZSA-N 354.450 1.343 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCOC[C@@H]3c3cccn3C)[nH]2)CC1 685942761 VEUWCDUSETUMDF-QGZVFWFLSA-N 357.458 1.771 0 40 FDAB O[C@H]1[C@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844916 SQZHANLFFVMSJF-XGFWRYKXSA-N 363.792 1.730 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C2CC2)n1 585085534 ILSWYFVDYCFIFV-UHFFFAOYSA-N 369.425 1.475 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 97601804 SEUHGGIOEYEMND-CALCHBBNSA-N 355.438 1.580 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4nc(C)ns4)CC3)nn2)n1 301568961 KKPNTZNQSIQMSL-UHFFFAOYSA-N 356.459 1.766 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(CC(F)(F)F)CC1 189306035 USNHCTXLHCOWES-UHFFFAOYSA-N 371.359 1.985 0 40 FDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 5151586 KAVTZDOCPYZGSD-UHFFFAOYSA-N 366.768 1.923 0 40 FDAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)c3cccnc3)C1)CNC2=O 12086771 KINYHVZHGLVSEC-HXUWFJFHSA-N 367.405 1.887 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C[C@@H](C)O1 12142802 OUFQCDIPYNLPJW-OKILXGFUSA-N 356.426 1.715 0 40 FDAB COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@@H](C(=O)O)[C@@H]5C3=O)nc2c1 13573098 ZTKYSQQEFVALOZ-VDXNLZSASA-N 358.375 1.676 0 40 FDAB Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCN(C=O)CC2)n1 16756296 AZSHQJTVWIXUCS-UHFFFAOYSA-N 361.837 1.433 0 40 FDAB Cc1cc(NC(=O)COc2ccccc2F)n([C@H]2CCS(=O)(=O)C2)n1 17011582 ABRSFYBLZRFULL-LBPRGKRZSA-N 367.402 1.708 0 40 FDAB O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19375472 XLKPGSRTXSPYIN-DNVCBOLYSA-N 364.449 1.752 0 40 FDAB O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 19402535 ZAMLLWBONCTJKH-CYBMUJFWSA-N 363.377 1.150 0 40 FDAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 19581443 KQAPQAPTSCRIPG-INIZCTEOSA-N 354.410 1.641 0 40 FDAB CS(=O)(=O)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 16738330 CPRINBSCHIRGBP-UHFFFAOYSA-N 352.485 1.652 0 40 FDAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(N)=O)c2)c1 5588472 HSPHEPRPDRXOPS-GFCCVEGCSA-N 362.407 1.826 0 40 FDAB O=C([C@H]1CN(c2ncc(Br)cn2)CCO1)N1CCSCC1 1888834254 MECFMPYBZRBETE-LLVKDONJSA-N 373.276 1.020 0 40 FDAB CN(C1=NS(=O)(=O)c2ccccc21)[C@H]1CCN(c2ncncc2F)C1 1888869672 KHPLIRCTWHJIDV-NSHDSACASA-N 361.402 1.275 0 40 FDAB Cc1ncoc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985023 VFQAVBFLDVZPNH-LJQANCHMSA-N 355.394 1.879 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3ccccn3)C2)C1 1565544303 DIUMYLLVUBKFFZ-NDUPCHFUSA-N 357.454 1.419 0 40 FDAB O=C(Cc1ccccc1)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542636 SKQGNPPYLLJEMG-GHTZIAJQSA-N 350.418 1.740 0 40 FDAB Cn1cccc(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1=O 1565543291 CRRYXDLCHAXOLZ-SQNIBIBYSA-N 369.421 1.369 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1C 1565554657 DCNXZYHEIDDSKN-AEFFLSMTSA-N 374.485 1.435 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cc(F)ncc3F)CC[C@H]21 1565549253 OSLQZGJCKOCDRQ-CVEARBPZSA-N 368.428 1.227 0 40 FDAB COc1cc(C(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)on1 1565554347 PFAQICXTVISODP-HRCADAONSA-N 373.409 1.915 0 40 FDAB Cn1cc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c(=O)n(C)c1=O 4338491 YLWQFERMMORJOO-UHFFFAOYSA-N 372.402 1.519 0 40 FDAB O=C(NC(=O)c1cccc(C(F)(F)F)c1)O[C@@H]1CCS(=O)(=O)C1 4452423 SPSNEFVEHWOZNF-SNVBAGLBSA-N 351.302 1.759 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3ccncc3)CC2)[nH]1 2055713908 YXUIOXVKENVLFD-UHFFFAOYSA-N 365.441 1.064 0 40 FDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)OC 618255258 ODMYNQILOFYZTO-MRXNPFEDSA-N 354.428 1.980 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2nccnc2OC)C1 220012178 FYQWWWUPQWXQII-GFCCVEGCSA-N 357.366 1.565 0 40 FDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3cn(C)nc3C)[C@@H]2C1=O 103508111 QWJNWUDAYXXSQH-ZFWWWQNUSA-N 358.785 1.983 0 40 FDAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)ccc1F 40087885 MLEVQBTVCAKHNY-LBPRGKRZSA-N 371.368 1.995 0 40 FDAB O=C(CCn1c(=O)oc2ccccc21)NCc1cccnc1-n1cncn1 40108967 MRLUBJLMVMEUPQ-UHFFFAOYSA-N 364.365 1.277 0 40 FDAB CN1CCN(C(=O)CN2C(=O)c3ccccc3Sc3ncccc32)CC1 20512028 VRGJQCMLJBYVGE-UHFFFAOYSA-N 368.462 1.967 0 40 FDAB COCCn1c(C(=O)NC[C@H](O)c2ccccc2)nc2ccccc2c1=O 32073583 GPIAZBZBOPFVIH-KRWDZBQOSA-N 367.405 1.506 0 40 FDAB C[C@H](Sc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NC1CCCC1 22000098 FQMJZQSGMXBULB-WDEREUQCSA-N 372.516 1.257 0 40 FDAB CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(C)C 22061254 APLDJDNXXVMKTK-ZWKOTPCHSA-N 365.449 1.476 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccnc1-n1cccn1 103103104 HRDKMZVQPIWIOH-CHWSQXEVSA-N 353.382 1.381 0 40 FDAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC(O)=Nc2[nH]c(=O)[nH]c(=O)c21 61718551 YUCUQXRXPSHBQU-QMMMGPOBSA-N 368.271 1.796 0 40 FDAB C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)N(C)c1ccccc1 22870726 MROCGUDOICXRJX-CYBMUJFWSA-N 368.455 1.253 0 40 FDAB COc1ccc([C@@H](CNC(=O)c2cc(C)n[nH]2)N2CCOCC2)cc1OC 54202596 OLFBKBKAORELOF-MRXNPFEDSA-N 374.441 1.539 0 40 FDAB CC(C)COC[C@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999380 RQPYOCLYNKQFLM-GTTSAUCSSA-N 354.428 1.862 0 40 FDAB biogenic CCCCn1nc(C(=O)NCc2ccc(-n3cccn3)nc2)ccc1=O 55485782 JPPFEIMNODBLDP-UHFFFAOYSA-N 352.398 1.554 0 40 FDAB Cc1c(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cnn1C 25297820 YIXVJHXDOPTUPG-LBPRGKRZSA-N 353.386 1.772 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(-c2nnco2)ccc1=O 58175753 PKUKRBUGKCROQC-WCQYABFASA-N 359.386 1.303 0 40 FDAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12556874 ZTLRIBWGGNIMPK-VIFPVBQESA-N 365.349 1.917 0 40 FDAB O=C1NC2=C(C(=O)N(CCCN3CCCC3=O)C2)[C@H](c2cccs2)N1 57531481 MNCXGKISNULAAT-HNNXBMFYSA-N 360.439 1.211 0 40 FDAB O=C(OCCn1ccccc1=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O 58005097 MNBGXIOMNQROCB-HNNXBMFYSA-N 362.332 1.723 0 40 FDAB Cc1nc(-c2ccc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2)cs1 48236720 PAZKFBMITBIXES-ZDUSSCGKSA-N 358.423 1.723 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 58225750 SKTIZUFPJGCIIX-LJQANCHMSA-N 374.441 1.597 0 40 FDAB C=C1c2ccccc2C(=O)N1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 12751465 GOWOOXWUIFHDKH-GOSISDBHSA-N 361.401 1.552 0 40 FDAB COc1cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)O)c(C)c2cc1Cl 2118087 SSYYWVMBIZIMJJ-QMMMGPOBSA-N 353.758 1.895 0 40 FDAB biogenic CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCSCC2)c1 57279554 ZMSWEGJYWRLSED-UHFFFAOYSA-N 369.472 1.106 0 40 FDAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2236788 KPDTVDDAFSQRNC-NXEZZACHSA-N 359.455 1.965 0 40 FDAB O=C1CN([C@@H](CO)c2ccccc2)C(=O)CN1[C@H](CO)c1ccccc1 22052307 QBDNINOGEAFNCR-HDICACEKSA-N 354.406 1.124 0 40 FDAB in-vitro C[C@@H]1CO[C@H](CO)CN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 95422070 GOWPSQAKHXLQFT-OCCSQVGLSA-N 369.849 1.790 0 40 FDAB CCCCN(C)S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1 48302586 ZTVYDLBQCXOPBA-UHFFFAOYSA-N 354.476 1.253 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 11371519 XVLBCKPDJAJAAC-NSHDSACASA-N 366.491 1.930 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](C)CCc3ccccc3)cnc21 29561790 KSOULCHCHGOCJO-CYBMUJFWSA-N 366.421 1.856 0 40 FDAB Cc1nc2nc(C(=O)N3CCN(c4ccccc4)CC3)nn2c(O)c1Cl 8914731 SMOFOZRSUSBQLY-UHFFFAOYSA-N 372.816 1.754 0 40 FDAB C[C@]1(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1(Cl)Cl 2635503 IVTPRKXFLVLMRK-CYBMUJFWSA-N 358.181 1.922 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCC(=O)Nc1ccc(F)cc1 13020976 FGXYCSXZZSFTBG-DOMZBBRYSA-N 364.421 1.758 0 40 FDAB O=C(O)COc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1 3765940 KAOIVZGTRPILIH-DHDCSXOGSA-N 352.371 1.920 0 40 FDAB O=C(Cc1ccccc1)N[C@@H](CCCCCCP(=O)(O)O)C(=O)O 4029317 HBUPUMASTIWYOX-AWEZNQCLSA-N 357.343 1.927 0 40 FDAB biogenic C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6053423 ZRZFUOGTYSQMHT-OALRPVAKSA-N 364.379 1.511 0 40 FDAB Cn1cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)c(=O)n(C)c1=O 5056009 XFNGCCYTWNBMSK-UHFFFAOYSA-N 365.194 1.159 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccco2)cc1 14142167 NBEIFGKEUDUTRJ-GFCCVEGCSA-N 352.412 1.695 0 40 FDAB CC(C)C(=O)N1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 14168522 NPFXOHNQDYORHB-KBXCAEBGSA-N 350.463 1.245 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 14244355 DXDAJPRUKIFFAE-GOSISDBHSA-N 353.334 1.343 0 40 FDAB Cc1ccc(C)c(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c1 24148186 IPQUDSSSWJXCAX-QGZVFWFLSA-N 363.458 1.397 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2cccc[n+]2[O-])cc1 15583653 WPAXMGSOPMXBPO-UHFFFAOYSA-N 366.464 1.387 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O 9533064 VUESEVBEFAUVAC-MGNBDDOMSA-N 371.397 1.295 0 40 FDAB C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7938071 NCGPLEOKZOJWBG-NEPJUHHUSA-N 352.412 1.561 0 40 FDAB Cc1ccc([C@@H](CNC(=O)Cc2c(C)nn(C)c2C)N2CCOCC2)o1 22697991 BQTRLYHLJQKFKT-QGZVFWFLSA-N 360.458 1.671 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 33739636 HKHPGBPFRMVRDW-ZDUSSCGKSA-N 362.411 1.186 0 40 FDAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(C)=O)C[C@H]2C3)cc1 306143457 YCSXIRQREOHZDP-CHWSQXEVSA-N 355.398 1.190 0 40 FDAB C[C@@](O)(CCc1ccccc1)CNC(=O)C1CCN(S(C)(=O)=O)CC1 61975777 JGMOOFGQNHAKPH-GOSISDBHSA-N 368.499 1.158 0 40 FDAB Cc1ccc(C)c([C@H]2CN(CCc3cn(CC(=O)O)nn3)[C@H](C)CO2)c1 566360947 CSUKSDRPDFGNSN-CRAIPNDOSA-N 358.442 1.984 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 72347629 ZDONRZSPIADDMS-UHFFFAOYSA-N 354.410 1.723 0 40 FDAB O=C(O)C[C@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccc(Cl)c(F)c1 569482025 XCSYVJXVMPUMGF-SKDRFNHKSA-N 351.783 1.703 0 40 FDAB O=C(CCN1C(=O)C2(CCCC2)N=C1O)N1CCC(Cc2ncc[nH]2)CC1 329169394 JNKCLWAGFUZECY-UHFFFAOYSA-N 373.457 1.650 0 40 FDAB COC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1Cl 91212675 YBUZOVVKIACMNG-UHFFFAOYSA-N 357.819 1.692 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CN(CCN(C)C)C3=O)cc1 96202832 PGQQZXUGUOCBIZ-UHFFFAOYSA-N 365.499 1.170 0 40 FDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O 514289054 PJCLQBUODIAQDD-GBESFXJTSA-N 370.453 1.506 0 40 FDAB biogenic,in-vitro CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(C(=O)c1ccccc1)C2 96208708 DTOPFBAMHZYATF-WBVHZDCISA-N 352.456 1.247 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4cscn4)C[C@H]32)cs1 96248771 HRBOVQCAAJTQQX-KGLIPLIRSA-N 350.469 1.633 0 40 FDAB C[C@H]1COc2ccccc2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 333402400 YWMSIXSYHBTEHM-AWEZNQCLSA-N 368.441 1.701 0 40 FDAB COC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)N1S(C)(=O)=O 96206798 JUHQFCNTFXCOOM-MRXNPFEDSA-N 353.488 1.487 0 40 FDAB Cn1nccc1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 248077390 ZRASJBKMAGUBJS-ZDUSSCGKSA-N 360.389 1.654 0 40 FDAB Cc1cccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)c1 245237291 IKMWSBLOAPIKNU-LZWOXQAQSA-N 365.455 1.341 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230749 YENWSLMVIZNSGK-NXEZDXNNSA-N 360.410 1.138 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cccs2)C1 257243352 IGOGDUPMOMEUAE-NSHDSACASA-N 353.469 1.970 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)cn1 253472706 OOLYXBAXNRGXRV-AWEZNQCLSA-N 353.425 1.289 0 40 FDAB CC(C)(C(=O)NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc(F)cc1 257240013 HRSIEYNNPDDAMT-LJQANCHMSA-N 358.417 1.651 0 40 FDAB COCc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)c1 257240599 HUGLYBDLPMNRAH-LJQANCHMSA-N 356.426 1.336 0 40 FDAB O=C(c1cccc(O)n1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257269472 MQBWJPWQULUWHC-HXUWFJFHSA-N 353.422 1.423 0 40 FDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)O 254592515 UVSYGDAIZHLVBZ-JBLDHEPKSA-N 369.830 1.977 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](CCc2cc(O)ncn2)C1 257226675 FLQRGBZOVPALPO-CYBMUJFWSA-N 353.382 1.532 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)nc1C 536597879 LXGXHVOAOUHLCA-LLVKDONJSA-N 369.472 1.460 0 40 FDAB COc1cc(CCO)ccc1NC(=O)c1cc(N2CCOCC2)ncn1 632767461 PBGQWQCXEDIEDU-UHFFFAOYSA-N 358.398 1.109 0 40 FDAB CCn1ccc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)n1 648264798 DUJFRKBTOHTSEN-OAHLLOKOSA-N 355.442 1.853 0 40 FDAB Cc1c(C(=O)O)cnn1C1CCN(C(=O)c2nc[nH]c3nccc2-3)CC1 659159361 LXFJOQIIRLCOFK-UHFFFAOYSA-N 354.370 1.590 0 40 FDAB Cc1noc(CN2CCCC[C@H](NS(=O)(=O)c3cccs3)C2=O)n1 585088442 MGXSHXDNHOXVMU-NSHDSACASA-N 370.456 1.299 0 40 FDAB CN1CCC[C@H](NC(=O)COc2ncccn2)[C@@H]1Cc1cccc(F)c1 585280614 LTGXGNGGYWDQSF-IRXDYDNUSA-N 358.417 1.816 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@H](O)C1)C2 585103791 JXBPTKGFBDNAQR-RBUKOAKNSA-N 373.497 1.479 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095959 VISIUKPOUNENOU-INIZCTEOSA-N 370.409 1.730 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 585291960 HMQQWLOUUCZURO-YXMMZVCTSA-N 366.469 2.439 0 40 FDAB COCC(=O)N1CCN(c2ncnc(-c3ccc(OC)cc3)c2F)CC1 1776009377 XUYXGBYGHHAYRY-UHFFFAOYSA-N 360.389 1.586 0 40 FDAB COc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccc(Cl)cc1)C2 1548338368 RTVZXNYNBVOABY-QMMMGPOBSA-N 362.773 1.984 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)c1 12114575 CRCRLQBANYKQKP-UHFFFAOYSA-N 368.437 1.962 0 40 FDAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2[C@@H]2CCCO2)on1 12142274 XZZTUMNIJIRQIV-AWEZNQCLSA-N 357.414 1.993 0 40 FDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CN3CCCC3=O)nn2c1O 12276345 PIUQFPLKLARKCC-OAHLLOKOSA-N 371.441 1.592 0 40 FDAB CC(C)OC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 14228706 PTOSSSLIHSHFMS-UHFFFAOYSA-N 361.398 1.911 0 40 FDAB CCCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19502267 NLSVRLJJKZJMPT-FQEVSTJZSA-N 373.453 1.742 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2Cn2nnc3c(=O)nc(C)[nH]c32)c1 19569503 GIOQIOAJQZOEAH-OAHLLOKOSA-N 366.425 1.745 0 40 FDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)C(C)C)CC2 19711449 QKLFIUDTRKXMLC-AWEZNQCLSA-N 359.474 1.785 0 40 FDAB C[C@@]1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CCCO1 19749445 ZAPFAYDNXLHHSK-IBGZPJMESA-N 374.416 1.889 0 40 FDAB COCC(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 19754047 MROHAOWKLHYVBD-UHFFFAOYSA-N 360.458 1.689 0 40 FDAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCOCC1 19832365 XVSZAJLJRGHBJR-UHFFFAOYSA-N 361.398 1.624 0 40 FDAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NC[C@@H]1CCCO1 16980756 FBMHOTJUQDNTER-HNNXBMFYSA-N 373.457 1.417 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccccc2Cl)CCO1 681941945 SEHGLACTIZVJKD-AWEZNQCLSA-N 368.817 1.043 0 40 FDAB COCc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2ccccc12 22416055 GBSQABNKVQMLFR-UHFFFAOYSA-N 357.366 1.393 0 40 FDAB CCN1CCN(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)C(=O)C1=O 238823922 DHEKKTJBLHOCMF-SFHVURJKSA-N 359.382 1.041 0 40 FDAB O=C(c1ncc(Cl)cn1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565554690 XHXBAYYBMHAMOB-OCCSQVGLSA-N 370.844 1.932 0 40 FDAB COc1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1OC 2692962 DOJXCMWBSNQFTQ-UHFFFAOYSA-N 361.423 1.339 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)c1 4316822 CYOVBDSFUZPIFE-UHFFFAOYSA-N 358.423 1.948 0 40 FDAB CCCC[C@@H]1C(c2ccccc2)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n21 15106857 AEQXSZCIILJRAC-CYBMUJFWSA-N 366.425 1.995 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCN2CCO[C@H](c3ccccc3)C2)no1 17025623 ZSVANJSQGLUPNF-HNNXBMFYSA-N 358.398 1.111 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1 9827401 ZILJRLHPOFPLLZ-UHFFFAOYSA-N 366.418 1.381 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)C(=O)O1 19460958 APCKHURXNORNPR-SWLSCSKDSA-N 358.442 1.518 0 40 FDAB COc1ccc(N2C(=O)C[C@H](SC(=S)N3CCOCC3)C2=O)cc1 13576820 DNBAZYZNFBDRDF-ZDUSSCGKSA-N 366.464 1.677 0 40 FDAB NC(=O)c1ccsc1NC(=O)CSc1nncn1Cc1ccco1 40024753 MHJPKJDYFUTLID-UHFFFAOYSA-N 363.424 1.811 0 40 FDAB O=C(Cc1cc2ccccc2[nH]c1=O)NCc1ccc(-n2cccn2)nc1 40108666 YYJNRRADPYVQLI-UHFFFAOYSA-N 359.389 1.968 0 40 FDAB Cc1ccc(-c2nc(CC(=O)N3CCN(S(C)(=O)=O)CC3)cs2)o1 40153018 XBDAEPLWOXTZSX-UHFFFAOYSA-N 369.468 1.358 0 40 FDAB CN(C)c1cc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)ccn1 101219655 DNWTWVNNEUMNKK-CQSZACIVSA-N 352.394 1.605 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccncc1 32916148 FOEBYYAOATUPOY-UHFFFAOYSA-N 354.410 1.573 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 33237425 VVGLHVMCSLKUOI-UHFFFAOYSA-N 359.451 1.443 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 946524 SHKYBLIFFGZZFI-GBIKHYSHSA-N 364.345 1.341 0 40 FDAB O=c1n(CN2CCN(Cc3cccs3)CC2)nnn1-c1cccs1 22785931 APROOXSPNIBVJJ-UHFFFAOYSA-N 362.484 1.327 0 40 FDAB NC(=O)N[C@H](CC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccs1 54016611 CJXJTWYGUKYGJE-QWHCGFSZSA-N 374.470 1.423 0 40 FDAB CCCCC[C@H]1[C@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897391 DLUUCPGURIULFB-STQMWFEESA-N 371.430 1.357 0 40 FDAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC[C@H](O)c1ccccc1 6626679 AFDOVFBOEGXHJE-ROUUACIJSA-N 359.422 1.961 0 40 FDAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 7192837 AAXVQMVIPHMEJM-SSDOTTSWSA-N 358.470 1.613 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1)NCCn1cnc2ccccc21 58265017 YYHAVNWLOOSMPV-UHFFFAOYSA-N 372.450 1.521 0 40 FDAB COc1ccccc1NC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccccc1OC 1516272 CVKQGYZPPOLIEB-HZPDHXFCSA-N 360.366 1.003 0 40 FDAB CCCCNC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506716 FZCARIPXEQBOPI-UHFFFAOYSA-N 367.500 1.931 0 40 FDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCC(C)(C)CN(C)C 48287915 ROYHAQGNRODBNC-INIZCTEOSA-N 362.453 1.608 0 40 FDAB O=C(NCCNc1ncccn1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 58226557 HUMRGHMKLPAGBX-AWEZNQCLSA-N 358.421 1.853 0 40 FDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nnc(-c2ccsc2)o1 58224309 CSWJVQYNWQHFKQ-CQSZACIVSA-N 370.434 1.944 0 40 FDAB CCN(CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc(C)c1 36390042 BEUAMGXGLOSDIN-HZPDHXFCSA-N 355.504 1.765 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)N[C@H]3CCOc4ccccc43)cnc21 12806775 QQTKCYSYXLRTIZ-AWEZNQCLSA-N 353.382 1.160 0 40 FDAB O=C1N2CCSC2=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F 2487764 IPQOMOGAHHLPGC-LLVKDONJSA-N 365.358 1.169 0 40 FDAB CCCn1c(N)c(C(=O)CN2c3ccccc3C[C@H]2C)c(=O)n(C)c1=O 3564416 VWKLOONSSBHHBI-GFCCVEGCSA-N 356.426 1.173 0 40 FDAB COCCn1c(SCC(=O)NCc2ccc(C)cc2)nc(O)cc1=O 13132004 QHKHWVJGQHLXRH-UHFFFAOYSA-N 363.439 1.312 0 40 FDAB CCOC(=O)CCCC[C@H]1SC[C@@H](NC(=O)OC)[C@H]1NC(=O)OC 3898614 GKCWBSANFAZKKX-NQBHXWOUSA-N 362.448 1.675 0 40 FDAB biogenic COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1OC 5000091 ZWQJXQYVYHTPFB-UHFFFAOYSA-N 369.377 1.356 0 40 FDAB C[C@H](C(=O)NCCNC(=O)OC(C)(C)C)n1cnc2ccccc2c1=O 96118498 UGYLOORCOZAQKQ-GFCCVEGCSA-N 360.414 1.598 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 24682503 DWWPWGGSBRIIIN-CQSZACIVSA-N 363.439 1.886 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 6610950 UUSXMUVYAXKESR-UHFFFAOYSA-N 352.334 1.471 0 40 FDAB CC(=O)N1CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)C1=S 6761330 IMCXHWFMNXZZHV-UHFFFAOYSA-N 374.447 1.724 0 40 FDAB CCOC(=O)c1c(NC(=O)CNCc2ccco2)sc(C(N)=O)c1C 6787454 PWYZULVFDMUFPK-UHFFFAOYSA-N 365.411 1.653 0 40 FDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)NC(C)C 9535939 OWNGZDRHJFYYJZ-UHFFFAOYSA-N 364.402 1.608 0 40 FDAB O=C1[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1 16033356 MSGSGJOMQMHGIY-XFHNUULXSA-N 367.792 1.896 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1nnc2ccccn12 7898789 SHPOLKZRCAGFEI-UHFFFAOYSA-N 350.386 1.033 0 40 FDAB O=C1C[C@H](C(=O)N2CCCC[C@H]2C2OCCO2)CN1c1ccccc1F 69257219 VSQXHQGAGUQRAZ-BBRMVZONSA-N 362.401 1.933 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2ncc3c2C[C@H](O)CC3)c1 95941882 AEXLMHSAYQALFK-GXTWGEPZSA-N 359.426 1.627 0 40 FDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708020 FQNNJTXIEKUZJL-CQSZACIVSA-N 359.426 1.593 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2Cl)C(=O)O)cn1 547880241 CQKFOOFFXLLUQQ-LLVKDONJSA-N 357.819 1.295 0 40 FDAB COc1ccc(S(=O)(=O)NCCCO)cc1NC(=O)c1ccccc1 408554114 ZLTOKJPOVZRPLN-UHFFFAOYSA-N 364.423 1.608 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 32501642 JUDUKSXUGQJRFZ-UHFFFAOYSA-N 353.350 1.956 0 40 FDAB O=C(Nc1nc(C(F)(F)F)n[nH]1)[C@H](Cc1ccccc1)n1cnnn1 76946874 PAYPQLPRPAYDOB-VIFPVBQESA-N 352.280 1.233 0 40 FDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 72334397 MNCRNJAKNVJRLO-SIKLNZKXSA-N 363.461 1.979 0 40 FDAB CO[C@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H](C(=O)O)C1 568290511 LJKPVXKHWXTALA-NWDGAFQWSA-N 361.354 1.529 0 40 FDAB CN1CCCC[C@H](C2CCN(C(=O)Cn3nnc4ccccc43)CC2)C1=O 72371997 GWQHZEONTCHOHG-MRXNPFEDSA-N 369.469 1.928 0 40 FDAB CCS(=O)(=O)Cc1ccc(NC(=O)N[C@H]2CCCN(C)C2=O)cc1 529116705 KKLQGEAOYGUIEJ-AWEZNQCLSA-N 353.444 1.364 0 40 FDAB CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 226075950 VKWWOURBVFPXKP-UHFFFAOYSA-N 368.455 1.402 0 40 FDAB O=C(c1cccs1)N1CCOC[C@]2(C1)CN(c1ccoc1)C(=O)CO2 96051409 BMBBKKWVJMZRPE-KRWDZBQOSA-N 362.407 1.616 0 40 FDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96205942 LAKJQRGXPHOUNG-APWZRJJASA-N 354.410 1.852 0 40 FDAB CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261559 KZDWHDKDJWMREY-SOLBZPMBSA-N 369.531 1.969 0 40 FDAB CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2OC)CN1Cc1ccsc1 95506012 YZXKQEDLOCKCML-HIFRSBDPSA-N 374.466 1.271 0 40 FDAB Cn1nccc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 248064792 VSMGJONSGFRFIJ-CQSZACIVSA-N 351.472 1.563 0 40 FDAB Cc1cccnc1C(=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257333070 YAAIGVQXLSGSMQ-IAGOWNOFSA-N 369.396 1.781 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)n1 257209784 BRWHUBYMYPSHTD-ICSRJNTNSA-N 354.454 1.662 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2cscn2)C3)nc1 253600337 LBFDTCTYNQEKFH-ZDUSSCGKSA-N 359.455 1.975 0 40 FDAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257297967 RJNYKUOVDKOEGM-WFASDCNBSA-N 361.373 1.907 0 40 FDAB Cc1ncsc1-c1nccnc1[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 257301412 RYIYZOAQGIEXKN-GFCCVEGCSA-N 367.500 1.894 0 40 FDAB COCc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)o1 617456129 VJZBXPNVTXTESY-ONGXEEELSA-N 355.334 1.474 0 40 FDAB C[C@@H]1CN(c2nc(=N)[nH]c(=N)[nH]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 624240596 NRDCZSMMKXTENX-LDYMZIIASA-N 354.336 1.682 0 40 FDAB O=C(O)c1cncc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 630114409 OFMNPVZXGXPEDG-QGZVFWFLSA-N 367.405 1.743 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2c(OC)cnc3ccccc23)C1 644034363 PGEXEPBEYCZKGI-LJQANCHMSA-N 357.410 1.347 0 40 FDAB Cc1ccc(S(=O)(=O)N2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)cc1 585096077 ZGGFEFIGGSSAEM-QGZVFWFLSA-N 374.466 1.463 0 40 FDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 585283718 UAUZNKIYHNFADH-RDJZCZTQSA-N 361.360 1.459 0 40 FDAB O=C(c1ncccn1)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093270 MXKBKPKQUYDYGJ-MRXNPFEDSA-N 350.369 1.587 0 40 FDAB O=C(N[C@@H]1CCCNC1=O)c1cnn2c(-c3ccc(F)cc3)ccnc12 585171879 SDOHYTMEXFBZOJ-CQSZACIVSA-N 353.357 1.544 0 40 FDAB CNC(=O)COc1ccc(CNC(=N)NCCc2ccc(OC)cc2)cc1 58184887 IAGCNVKJBISQIF-UHFFFAOYSA-N 370.453 1.677 0 40 FDAB CNC(=O)[C@@H]1CCCN1CC(=O)NC1(c2noc(C)n2)CCCCCC1 55019556 DLYWGEAJMUMVFB-AWEZNQCLSA-N 363.462 1.254 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)N(C)C1=S 8091410 KUYZJOZTHSKECL-WQLSENKSSA-N 350.396 1.277 0 40 FDAB O=C(CCc1cccnc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13266179 XNXOTHIVQRJJLM-UHFFFAOYSA-N 362.393 1.552 0 40 FDAB CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 19527991 TYKWMTXENHUXOC-RBUKOAKNSA-N 370.501 1.887 0 40 FDAB Cc1nc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)ncc1C(N)=O 19758317 NHYIEZIJXFGBJN-LBPRGKRZSA-N 358.373 1.418 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546449 ZCGDDHZKGISFGK-CYBMUJFWSA-N 362.455 1.440 0 40 FDAB CCOCCCNC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479674 CKRISEIFGVVOEW-CYBMUJFWSA-N 363.414 1.289 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(C[C@@H]2COCCO2)CC1 1849424621 LRTLRUDYVUMWCE-QGZVFWFLSA-N 357.454 1.832 0 40 FDAB CCn1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037984463 BVKDLHWSGUUDNK-HXUWFJFHSA-N 368.437 1.799 0 40 FDAB O=S(=O)(c1cccc(-c2cn3ncsc3n2)c1)N1CCOCC1 78547071 XFWZWMYPYNVSKV-UHFFFAOYSA-N 350.425 1.479 0 40 FDAB CCn1cc(CN2C[C@H](C(=O)NCc3ccon3)C3(CCOCC3)C2)cn1 1565543412 SYJMCGLFIZXXHZ-QGZVFWFLSA-N 373.457 1.436 0 40 FDAB Cc1cc(NC(=O)CSc2nc(=O)n3cc(Cl)ccc3n2)no1 4504280 JFCFBFPDFIVQDK-UHFFFAOYSA-N 351.775 1.770 0 40 FDAB CCC(=O)Nc1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)nn1 11738991 NZAYKLGZRXKPBM-UHFFFAOYSA-N 374.422 1.962 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)N3CCCC3)C[C@@H]2O1 2055718069 DBNOPJAYLIPDOY-JQHSSLGASA-N 372.469 1.735 0 40 FDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccncc1 23106804 IYFSXBXHNFLEKT-AWEZNQCLSA-N 360.439 1.271 0 40 FDAB Cc1nnsc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38947019 XUOCHQXDGWTZQM-NWDGAFQWSA-N 362.480 1.996 0 40 FDAB COc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2F)C1 225390877 RHWGRBAYIMZLIK-LLVKDONJSA-N 371.365 1.605 0 40 FDAB Cn1cc(-c2noc(CNC(=O)C3(c4ccccc4)CCOCC3)n2)cn1 575414747 OGLNFBYWNJTILE-UHFFFAOYSA-N 367.409 1.835 0 40 FDAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)N=c2cc(C)o[nH]2)c2ccsc2)n1 575612450 AKYHZGRAWKRIBZ-AWEZNQCLSA-N 373.438 1.624 0 40 FDAB COc1ccccc1CNC(=O)c1cc2c(CO)cnc(C)c2oc1=O 575615755 JKCYMVNBYZLBTE-UHFFFAOYSA-N 354.362 1.927 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCCCn2cccn2)cc1 30166292 TUHXHSYSKNPCLI-JOZWUWCOSA-N 356.426 1.616 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C(=O)OC)cc1 100128659 RGQVHWJHYLQHBC-ZDUSSCGKSA-N 360.366 1.385 0 40 FDAB Cc1oc(C)c(C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)c1C 50836398 VZMFMDKDDRNGHJ-UHFFFAOYSA-N 374.393 1.542 0 40 FDAB CCc1cc(=O)oc2cc(OCC(=O)NCCCN3CCOCC3)ccc12 20547913 SZZOSTPAHOICIZ-UHFFFAOYSA-N 374.437 1.573 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 51530201 XXHOQFDFCBTQGB-WMZOPIPTSA-N 362.451 1.644 0 40 FDAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3cccnc3)n2)cc1 20745761 ABMYOFAWMAISMY-UHFFFAOYSA-N 367.365 1.001 0 40 FDAB CN(C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 102610374 SUDPGEQRTQVOHP-SOUVJXGZSA-N 359.426 1.340 0 40 FDAB O=C(CCCn1cnc2ccccc2c1=O)NC[C@H]1CCN(C2CC2)C1 32912046 DMXUUGPKLCNPCT-OAHLLOKOSA-N 354.454 1.777 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1F 103576351 MKNYTQSTQZMWMH-KBPBESRZSA-N 362.401 1.968 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 12321316 AXFIDZFTTTXLAT-UHFFFAOYSA-N 353.382 1.652 0 40 FDAB biogenic O=C(NCCNC(=O)[C@@H]1COc2ccccc2O1)c1c[nH]c2ccccc12 12391546 OMNIXHIDVZEGEA-SFHVURJKSA-N 365.389 1.854 0 40 FDAB O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1 2940791 MAYCSOKQNKCCDH-UHFFFAOYSA-N 368.437 1.519 0 40 FDAB CCc1nnc(NC(=O)CSc2nnc(C)n2C[C@H]2CCCO2)s1 915448 JHIJFAWEWFLPNY-SNVBAGLBSA-N 368.488 1.910 0 40 FDAB CC(C)OC[C@H](O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 78564812 VXKQKYQEVOQZDU-GOSISDBHSA-N 352.450 1.940 0 40 FDAB O=C1OC[C@]2(C(=O)OCc3ccccc3)C(=O)C(=O)N(C3CCCCC3)[C@@H]12 1714900 OIUSZHXYFDKCQE-MGPUTAFESA-N 371.389 1.386 0 40 FDAB O=C(Cc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899841 VEBWWGGBYUZWAO-UHFFFAOYSA-N 358.463 1.903 0 40 FDAB O=C([C@@H]1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1)N1CCOCC1 104402777 YLCMXEBSZDOGBO-INIZCTEOSA-N 369.425 1.121 0 40 FDAB Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1 4400710 FIUGRMDDEXXIAW-UHFFFAOYSA-N 351.414 1.280 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 6114529 ZHMWBRAVQATSEI-UHFFFAOYSA-N 367.361 1.938 0 40 FDAB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)ccc1O 6630753 BCYHYVQBTUGRQT-MDWZMJQESA-N 353.334 1.852 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 24243856 ZCNIIUMEIUVLSU-CYBMUJFWSA-N 363.433 1.477 0 40 FDAB O=C(c1cccnc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24216824 WMTKROVWVDGXSX-UHFFFAOYSA-N 363.414 1.758 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNc1ccc2nnnn2n1 8724674 QCXMCWKYKSLVCF-UHFFFAOYSA-N 362.191 1.641 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1F)c1ccccc1F 8810628 CUKAATQBDJGTHL-UHFFFAOYSA-N 356.350 1.488 0 40 FDAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 25331123 WDYDBACCBXDKDJ-KGLIPLIRSA-N 354.472 1.886 0 40 FDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NCCc1ccccc1 3237414 VPCHFOWVUNMCBV-UHFFFAOYSA-N 366.373 1.185 0 40 FDAB CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9835148 PEFZJEASZMOOQR-UHFFFAOYSA-N 360.863 1.937 0 40 FDAB COCC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C(C)=O)n(C)n2)CC1 100687610 QBKZKJHRQXMBQH-IYBDPMFKSA-N 364.490 1.777 0 40 FDAB C[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)NC1CCCC1 26125430 KQQWXEKCICTJAM-ZDUSSCGKSA-N 357.410 1.777 0 40 FDAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC(=O)CC1 57050667 LEYLDKOXFHMGBK-UHFFFAOYSA-N 373.409 1.957 0 40 FDAB O=C(Nc1ccc(-c2nnn[nH]2)cc1)C1CCN(c2cnccn2)CC1 108710253 KLJDKSPUJJXLKZ-UHFFFAOYSA-N 350.386 1.512 0 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COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC 3525271 VQVKQFRRTNOQJW-RYUDHWBXSA-N 367.398 1.505 0 40 FDAB CC(C)n1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 306123468 AODHQLWZAFNRIE-CABCVRRESA-N 369.473 1.252 0 40 FDAB CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 96005075 GGNNJKGWVDKELM-UHFFFAOYSA-N 371.890 1.178 0 40 FDAB Cn1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 39996402 DALBYOBARDYGFL-GOSISDBHSA-N 353.382 1.142 0 40 FDAB C[C@H]1CN([C@@H](C)CNC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)C[C@H](C)O1 65516826 OYAUMONTXANTFQ-ONTMVUMWSA-N 370.538 1.281 0 40 FDAB Cc1csc([C@@](O)(CC(=O)NCC(=O)NC(C)C)C(F)(F)F)n1 65533204 RBTSNYGEWOTEID-LBPRGKRZSA-N 353.366 1.232 0 40 FDAB CCC[C@H]1NC(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1=O 14187586 BGRGFRKUNATOBF-LLVKDONJSA-N 360.370 1.974 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409390648 KTQQWGQXAKEZPX-UHFFFAOYSA-N 360.435 1.953 0 40 FDAB O=C(Cn1nc(-c2ccco2)oc1=O)c1c[nH]c(C(=O)N2CCCC2)c1 14200620 SHYSUWRHEMBIDR-UHFFFAOYSA-N 356.338 1.543 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 14232370 GVNBHMGMYLRJGQ-KRWDZBQOSA-N 353.422 1.854 0 40 FDAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@]12C(=O)Nc1ccccc12 9303528 MPBZSFYPNXJUPJ-GOSISDBHSA-N 353.334 1.928 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)COc2cccc(-n3cnnn3)c2)c1C 14733988 SGZRYVFKOIJIBI-UHFFFAOYSA-N 355.354 1.656 0 40 FDAB COc1ccccc1OCCN1C[C@H](C(=O)Nc2cc(C)n(C)n2)CC1=O 96223602 ZTEIITVZJZFZGK-CQSZACIVSA-N 372.425 1.603 0 40 FDAB O=C1OCCOCCOCCOCCOCCOC(=O)c2cccc1c2 2356096519 MEWRMHBKXHWOJO-UHFFFAOYSA-N 368.382 1.080 0 40 FDAB COC(=O)c1sc(NC(=O)CSc2nc(O)nnc2C)nc1C 15859736 RLPDSDBMCDJHEU-UHFFFAOYSA-N 355.401 1.168 0 40 FDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 9423272 XCUIMUYPTBUUMV-YPMHNXCESA-N 360.407 1.629 0 40 FDAB CC(C)CN(C(=O)COc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 7988909 JCSVJFYQYVLBNL-CYBMUJFWSA-N 369.439 1.466 0 40 FDAB O=C(CNC(=O)COc1ccccc1)NCCc1ccc2c(c1)OCCO2 9592929 FKIZHLXMNLKAPM-UHFFFAOYSA-N 370.405 1.312 0 40 FDAB O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccccc1F 18276774 FROYRUFMXDMZBD-GOSISDBHSA-N 369.396 1.985 0 40 FDAB COCCNC(=O)CNC(=O)CCCOc1ccc(Br)cc1 8777215 WOVSRXLHUYIDKH-UHFFFAOYSA-N 373.247 1.487 0 40 FDAB COc1cccc(C2(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)CCCC2)c1 95997883 MQMICURQUHHSNH-UHFFFAOYSA-N 369.425 1.281 0 40 FDAB CC[C@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)O 95969992 WACFBTAMZMVFSN-HWPZZCPQSA-N 354.428 1.380 0 40 FDAB CCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCCCC(=O)O)cc1 95970556 VYLOXJIBGRFNRI-DHZHZOJOSA-N 368.455 1.759 0 40 FDAB c1nc(N2CCOCC2)cc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 150936209 JOMYNQKOGSYLGI-UHFFFAOYSA-N 367.457 1.307 0 40 FDAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1ccc(F)cc1 409003132 REPYACZSZXCENT-GFCCVEGCSA-N 368.361 1.320 0 40 FDAB Cc1ccncc1N1CCN(c2cnn(C)c(=O)c2Br)CC1 408172852 BCUUTUHPKZDBJR-UHFFFAOYSA-N 364.247 1.573 0 40 FDAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)N2CCCC2)c(=O)c1CCO 67300835 BHNQZHWCNIOZEI-UHFFFAOYSA-N 359.401 1.515 0 40 FDAB COC1(C(=O)N2CC[C@H](c3ccccc3)O[C@@H](C)C2)CS(=O)(=O)C1 1551349118 SYNONTMTBQSWGS-DZGCQCFKSA-N 353.440 1.179 0 40 FDAB COCCNc1nc(NCc2ccc3c(c2)OCO3)nc2nccnc12 32102097 BABWOMOEULFMAA-UHFFFAOYSA-N 354.370 1.819 0 40 FDAB CN(C)c1nccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)n1 538320337 MBBXWUQYIHDEDD-UHFFFAOYSA-N 359.405 1.448 0 40 FDAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218635769 BGOVWFCZECJKAB-WWGRRREGSA-N 358.435 1.558 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 75155444 HCOWDSNGCXROLK-LJQANCHMSA-N 357.362 1.839 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)c1=O 75163168 ZQYHCBAZWWEKRV-UHFFFAOYSA-N 354.326 1.339 0 40 FDAB COc1ccccc1COC[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21 43647180 LGPFBBOOPHFNON-HNNXBMFYSA-N 369.421 1.650 0 40 FDAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C3COC3)CC2)cs1 225425944 FRTBAXBXISWEDH-UHFFFAOYSA-N 374.510 1.852 0 40 FDAB biogenic,in-vitro Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4ccncc4)CCO3)C2)no1 96206252 KOFOLGNYYKFMHG-VQIMIIECSA-N 356.426 1.932 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226057 SYTGTKPIJCOKPC-MRXNPFEDSA-N 366.443 1.371 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)N1S(C)(=O)=O 96207105 MCKLTEBLXOIYCV-CQSZACIVSA-N 356.444 1.325 0 40 FDAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96156245 QJXZUCDBBBBXKH-LBPRGKRZSA-N 356.430 1.483 0 40 FDAB CNC(=O)CN1CCC2(CC1)CN(C[C@@H]1CCCO1)C(=O)c1ccccc12 96080091 HMZYWILPFHWHOY-INIZCTEOSA-N 371.481 1.401 0 40 FDAB COc1ccc(C(=O)N2CCn3nnc(COc4cccnc4)c3C2)cc1 96256014 FTAVZUNLROVNAZ-UHFFFAOYSA-N 365.393 1.917 0 40 FDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1ccccc1)C2 96251095 VQZRGJUTVIATNR-YLJYHZDGSA-N 351.454 1.694 0 40 FDAB O=C(c1cnccn1)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247805245 ALNWKGQWSSVZSR-AWEZNQCLSA-N 355.398 1.357 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cnc(C2CC2)nc1 257293482 QPQGTKAMYRBEPB-MRXNPFEDSA-N 353.426 1.926 0 40 FDAB CC(C)c1ncc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cn1 257343961 ZVCVOSJAAMUWQV-HNNXBMFYSA-N 357.414 1.569 0 40 FDAB O=C(NCc1cccnc1OCC(F)F)[C@H]1CCCN1c1ncccn1 677940354 DXQKKSNYWBUOCD-CYBMUJFWSA-N 363.368 1.801 0 40 FDAB COc1ncc(Br)cc1CNC(=O)NCc1cc(C)nn1C 624016824 HGHMPCRZKQUBAS-UHFFFAOYSA-N 368.235 1.894 0 40 FDAB COc1cccc(OC)c1CC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 617497081 MFYGYSJACNEYKA-OAHLLOKOSA-N 354.406 1.950 0 40 FDAB O=C(NC1CCN(CCc2ccccc2)CC1)C1(N2CCOCC2)CC1 630729745 SBVWCXVKAITFDX-UHFFFAOYSA-N 357.498 1.675 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c2ccccc21 642243908 PBWDNKSJZZZNSA-INIZCTEOSA-N 372.469 1.053 0 40 FDAB CCn1c(=O)c(Sc2nnnn2C[C@@H]2CCCO2)nc2ccccc21 656109435 ZBYPEAFPJWOSHN-NSHDSACASA-N 358.427 1.733 0 40 FDAB CCc1nc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)sc1C 47424627 FLDFIOAABMSSBF-UHFFFAOYSA-N 352.441 1.450 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccnn1C 47458437 GHYYUVBWOOSWDB-INIZCTEOSA-N 356.426 1.740 0 40 FDAB CCN(CC)C(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 52727251 ALNOQNUUMUYVMT-UHFFFAOYSA-N 373.457 1.436 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58202039 UANMGHJYEDYWFJ-LBPRGKRZSA-N 367.471 1.162 0 40 FDAB CN1CCN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@H]1Cc1ccccc1 582813565 KGNDPLTWESVALE-OAHLLOKOSA-N 351.410 1.662 0 40 FDAB CC(C)(CNC(=O)N1CCOC[C@H]1c1nc[nH]n1)c1ccc2c(c1)OCO2 584216847 QTRKIMWIFMRNGE-ZDUSSCGKSA-N 373.413 1.594 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152583 AZCOVUASFGARDF-IBGZPJMESA-N 372.400 1.597 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615161443 XSGHMDPHHXHACX-IBGZPJMESA-N 354.410 1.458 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 19577143 STPJYZUYPANPCI-MRXNPFEDSA-N 357.389 1.921 0 40 FDAB Cn1c(=O)n(CC(=O)c2ccco2)c(=O)c2c3c(cnc21)C(=O)CCC3 19962352 DHYWMMFTPSRLRS-UHFFFAOYSA-N 353.334 1.090 0 40 FDAB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1C 4510699 IYUOEPCJAMVZNO-ZROIWOOFSA-N 363.439 1.537 0 40 FDAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O 643585370 CWTKVGHLXPYSNF-OAGGEKHMSA-N 350.802 1.528 0 40 FDAB C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(C(N)=O)n2)C1 560458001 ARLHENPDHWQMHW-HNNXBMFYSA-N 352.438 1.775 0 40 FDAB CN(C(=O)COC(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 5079716 FTESZBKEJOWFTK-ZDUSSCGKSA-N 362.407 1.037 0 40 FDAB CS(=O)(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888878938 FRRARALZYFYQBC-LBPRGKRZSA-N 351.403 1.943 0 40 FDAB COC(=O)CCCNC(=O)CN1CCc2cc(OC)c(OC)cc2C1 16341050 HMHBCLAUYYVFHF-UHFFFAOYSA-N 350.415 1.131 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3cnccc23)CC1 2087044506 OMDLXRSAXPIZBO-UHFFFAOYSA-N 355.423 1.536 0 40 FDAB CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 5188771 LYRJGIWRGLZVJJ-INIZCTEOSA-N 358.442 1.282 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 5155100 PEJOXXYGDFYBHE-UHFFFAOYSA-N 372.328 1.618 0 40 FDAB Cc1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)nc1 2055772880 QLQGNPYIUOZUDJ-UHFFFAOYSA-N 367.453 1.744 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1 2086866023 HXQAKPMLSAJMDX-LBPRGKRZSA-N 362.459 1.052 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(N2CCOCC2)n1 49411090 GJZFTHGJVHCSAK-UHFFFAOYSA-N 371.441 1.093 0 40 FDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)N(C)C)cc1 40266534 FXANEZJTIOLCOB-MRXNPFEDSA-N 372.425 1.456 0 40 FDAB CN(C)c1ncccc1C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 51194435 PATUKUSCDLTTSD-AWEZNQCLSA-N 355.394 1.424 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c1 20548979 HAXWBTFGMSGTHH-UHFFFAOYSA-N 360.410 1.106 0 40 FDAB Cc1nnc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)nn12 20728377 YCLUCQYYKBTFDF-UHFFFAOYSA-N 351.414 1.361 0 40 FDAB CON(C)C(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 32879735 GPTHUPQRQPCKJY-NSHDSACASA-N 358.445 1.014 0 40 FDAB COCCOc1ccc(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cn1 53517300 WTVOTKWGONDAMU-GFCCVEGCSA-N 353.419 1.636 0 40 FDAB O=C1CCc2cc(C(=O)COC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)ccc2N1 47727736 RCCXABIGNRTQSM-OAHLLOKOSA-N 370.405 1.556 0 40 FDAB Cc1cccc(Cn2c(SCCC(=O)O)nc3c2c(=O)[nH]c(=O)n3C)c1 839511 DDYGVJPBMFHKMR-UHFFFAOYSA-N 374.422 1.347 0 40 FDAB CC(C)CCNC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 6368384 OWRNJMBPQYJBIU-UGSOOPFHSA-N 367.446 1.193 0 40 FDAB Cn1nc(C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc2c1=O 6998194 JSJGBRLHTBYLSA-LBPRGKRZSA-N 351.362 1.503 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(CCc2ccccc2)CC1 102844380 XDSVYMDGWXSUOL-KDURUIRLSA-N 353.466 1.755 0 40 FDAB COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298223 KDBNKWSGBGYZBR-QRQLOZEOSA-N 369.469 1.451 0 40 FDAB biogenic,in-vitro O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCOCC1 25970108 UAHPJACRFXWBDH-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 56911051 YYVBWFRVLRWMCD-WBVHZDCISA-N 367.453 1.689 0 40 FDAB CCC(=O)Nc1ccc([C@H](C)NC(=O)CCSc2nnnn2C)cc1 57090978 LALDNFXBHLTDCH-NSHDSACASA-N 362.459 1.918 0 40 FDAB CC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849414 ATIQLSFAZLEMFZ-UHFFFAOYSA-N 357.805 1.532 0 40 FDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2cc(F)ccc2F)cc1 58195454 CPTWHFXZAGTQRM-UHFFFAOYSA-N 365.365 1.956 0 40 FDAB 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O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccco1 95969491 OWPWXFFUAZHGAJ-HZPDHXFCSA-N 370.405 1.944 0 40 FDAB O=C(NC1CCCCC1)c1cn2c(nc1=O)C[C@]1(CCN(CC3CC3)C1)C2 306133377 MJWHSUQFOZOKGD-NRFANRHFSA-N 370.497 1.964 0 40 FDAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCOC 22252525 MNTMCVPXIGHPCR-UHFFFAOYSA-N 374.459 1.256 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 225692169 BYEJLMLUMOQXMW-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c(C)c1 408629571 DPUVULKQGNICHS-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB CCNC(=S)NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1 408726647 UKLDGZFYRKBJTE-UHFFFAOYSA-N 372.502 1.838 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38728973 SRTMXFLSZCZLMV-IAGOWNOFSA-N 358.438 1.804 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)N1CCCCCC1 1547200982 FMUBMGFBHDBDBZ-UHFFFAOYSA-N 355.398 1.436 0 40 FDAB Cc1noc([C@H]2CCN(c3ncccc3S(=O)(=O)NC(C)C)C2)n1 569435249 DHNQZEVFDWVELJ-LBPRGKRZSA-N 351.432 1.454 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 79484520 JJAHFMWNIMMPMT-MRXNPFEDSA-N 369.425 1.834 0 40 FDAB CCS(=O)(=O)N(CC(=O)N(C)C1CCCC1)c1ccc2c(c1)OCO2 216451816 JHZUWYRIKJWEEZ-UHFFFAOYSA-N 368.455 1.972 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 72348175 MQYOPLAVKNNGPT-UHFFFAOYSA-N 373.482 1.333 0 40 FDAB O=C(NCCn1cnc2ccsc2c1=O)c1ccc2nsnc2c1 225773782 XBOJDZRUGLJRMC-UHFFFAOYSA-N 357.420 1.893 0 40 FDAB CC(=O)N1C[C@H](NS(=O)(=O)c2cccnc2)CC[C@H]1C(F)(F)F 583616452 VQQCZHHOZAHWMJ-PWSUYJOCSA-N 351.350 1.302 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3nccn3C)CC2)CN1c1ncccn1 96240386 JAHGRHIZZYIXDG-INIZCTEOSA-N 356.474 1.718 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1nccs1)C2 96050190 JTSSLRJUTFIOMI-GOSISDBHSA-N 371.466 1.378 0 40 FDAB CCCNC(=O)c1ccc2ccc(N3CCN(C(=O)N(C)C)CC3)n2c1 96156041 RWNAQYBPSZWPCX-UHFFFAOYSA-N 357.458 1.883 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccccn1)C2 96050288 UBAWYKKAOGSTHJ-HXUWFJFHSA-N 368.412 1.784 0 40 FDAB O=C(c1ccncc1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 247893720 ZIFDRHVJEOFNIN-HNNXBMFYSA-N 373.434 1.185 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)n1 247878293 PYDVDVDVOIHDQB-GOSISDBHSA-N 359.470 1.762 0 40 FDAB Cc1cccc(COCC[C@@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)n1 247927467 DVNYJHTWSILZLL-OAHLLOKOSA-N 369.487 1.194 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@@H]2CCNc1ccccn1 253488655 BJDDHEJVZUUALC-HNNXBMFYSA-N 353.488 1.409 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1cccnc1 257279690 OHTHOWJCDPUDSU-ZRNYENFQSA-N 367.449 1.857 0 40 FDAB O[C@H]1CO[C@H](O[C@@H]2C[C@H](c3cccc(F)c3)O[C@@H]3CCC[C@H]32)[C@@H](O)[C@@H]1O 257272523 NCSHTKFBMJFNEI-TXIWAVEOSA-N 368.401 1.280 0 40 FDAB CCc1cc(C(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)on1 257240797 HVFWIOJOCFSSPO-NSHDSACASA-N 352.416 1.731 0 40 FDAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257319459 VSQKTTCKJHPJAE-AWEZNQCLSA-N 354.414 1.948 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1noc2c1CCCC2 257301036 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LDPGLMKOJMOQST-SFHVURJKSA-N 362.499 1.942 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585276282 FRKCYUJYRSSJJT-IBGZPJMESA-N 359.401 1.872 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCCc3cn[nH]c3)CCO2)cc1 585278782 VFZWMKVHBRVOBP-FQEVSTJZSA-N 357.454 1.873 0 40 FDAB O=C(C[S@@](=O)Cc1nnnn1-c1ccccc1)NCc1cccs1 71801222 OYAQEPZFRYAWLI-XMMPIXPASA-N 361.452 1.289 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1OC 13849592 ARGAJSNUPKLQEL-UHFFFAOYSA-N 350.396 1.532 0 40 FDAB Cc1ccnc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4cccc(F)c4)CO3)C2)n1 643585921 CULPCPCNAGSITL-IDHHARJASA-N 357.385 1.684 0 40 FDAB O=C(COc1ccccc1)N1CC[C@@H](NC2CCN([C@H]3CCOC3)CC2)C1 655763333 NMNYOEJMBRIANZ-MOPGFXCFSA-N 373.497 1.509 0 40 FDAB O=C1C[C@@H](Cn2cc(C(=O)N3CCCCC3)nn2)CN1Cc1ccccc1 1888879676 SCLVQZDGZWTEIS-QGZVFWFLSA-N 367.453 1.953 0 40 FDAB CCc1cc(N2CCN(c3ncnc4ncn(C)c34)CC2)nc(SC)n1 1888890918 YWDSPGIEPRENCK-UHFFFAOYSA-N 370.486 1.764 0 40 FDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1 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FDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(F)cc2F)cc1 24564939 MFVJCMJQPFXDLO-UHFFFAOYSA-N 370.377 1.350 0 40 FDAB O=C(CNc1ccccc1Cl)NC[C@H]1CCC[C@]12NC(=O)NC2=O 89814339 OYJFLBGJVULDNH-HWPZZCPQSA-N 350.806 1.246 0 40 FDAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@H]3CCCO3)nn1C)C2 32091820 LOQMGTKECQDKQI-GFCCVEGCSA-N 357.410 1.917 0 40 FDAB CCC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 27461493 ZINIPNBUTZTXMP-LBPRGKRZSA-N 358.460 1.677 0 40 FDAB CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 21871146 STQKSEXOHJOHLY-KRWDZBQOSA-N 365.499 1.312 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408600823 CQFLMXPOVBHWTG-CHWSQXEVSA-N 358.460 1.292 0 40 FDAB O=C1NC(=O)C2(CCC(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)CC2)N1 515493153 UGBYXKVNWDHFPG-UHFFFAOYSA-N 369.421 1.534 0 40 FDAB O=C(c1ccc2oc(O)nc2c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 517050056 YTYCJDKGLXZBOX-GXTWGEPZSA-N 350.396 1.715 0 40 FDAB O=C(c1cnccn1)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 72377791 FZYMMHCIRRDPHJ-ZDUSSCGKSA-N 362.397 1.820 0 40 FDAB Cn1ccnc1CN1CCOC[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1 77265886 NIYFGACWKUSGCT-OAHLLOKOSA-N 365.455 1.103 0 40 FDAB biogenic,in-vitro COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3ccncc3)CC(=O)N1CC2 72342190 ZQLRVDAKCITBSH-MRXNPFEDSA-N 367.405 1.681 0 40 FDAB Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)c1C 41228160 STDJSTSCYCOVBT-UHFFFAOYSA-N 353.488 1.234 0 40 FDAB Cn1nc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)ccc1=O 49511068 LYADBCRUKIGTDK-UHFFFAOYSA-N 352.394 1.327 0 40 FDAB COc1ccccc1-c1c2c(=O)n(-c3ncn[nH]3)ccc2nc2ncnn12 40398211 GVMFYJZQNSHXKR-UHFFFAOYSA-N 360.337 1.222 0 40 FDAB O=C(O)c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=O)c1CN1CCCCC1 222665027 TWBVIOMZOWLJTD-UHFFFAOYSA-N 363.801 1.863 0 40 FDAB CCS(=O)(=O)N(Cc1nc(C)cc(=O)[nH]1)c1ccc(C(=O)O)cc1 222557339 GPGCWWIICIZQEW-UHFFFAOYSA-N 351.384 1.133 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccn1C)C2 96230434 OWDRSJGKVUGEOJ-FQEVSTJZSA-N 352.438 1.588 0 40 FDAB CCC(=O)N1CCC2(CC1)C(=O)N(C)CCN2Cc1csc(C)n1 96230311 QEMLNGZZJBHICZ-UHFFFAOYSA-N 350.488 1.497 0 40 FDAB COc1ccc(CN2CC[C@H]3CO[C@H](CN4CCN(C)CC4)[C@H]3C2)cc1 96056260 BGZWBFWYQLMFPT-SESVDKBCSA-N 359.514 1.780 0 40 FDAB c1cncc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)c1 96049844 FKEQXWCQIJWOFK-FQEVSTJZSA-N 354.454 1.580 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cnn(C(C)C)c2)o1 96114411 JVDPWDYPQMSDLC-CYBMUJFWSA-N 350.371 1.964 0 40 FDAB biogenic Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4cccnc4)CCO3)C2)no1 96205902 ZDTNRLLRHIWTFA-VQIMIIECSA-N 356.426 1.932 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)c2c(C)noc2n1 257276216 NSVRAKQIMDASRP-GJZGRUSLSA-N 355.398 1.874 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)CCn2ccnc2C(C)C)CCO1 257314718 UYEGXILVGZQFKS-AWEZNQCLSA-N 358.446 1.828 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)NCCCn2cccn2)N1Cc1ccccc1 630651249 BESUFMIKIKBWGG-IAGOWNOFSA-N 356.426 1.507 0 40 FDAB Cc1cccc(C)c1-n1nnnc1CN[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 643962994 KEBIRZBVZODRMD-ZACQAIPSSA-N 356.474 1.356 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(Cc3ccccc3)nn2)C1 644117803 PRBWBKFDRJVWOY-ZBFHGGJFSA-N 352.398 1.652 0 40 FDAB C[C@H](C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1)c1ccc(Cl)cc1 1178320936 PHPDSZQZYPGKCS-VIFPVBQESA-N 371.832 1.831 0 40 FDAB Cc1ccc2cccnc2c1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)O 681571185 RERVQCRMGJCGEY-OCCSQVGLSA-N 364.423 1.701 0 40 FDAB Cc1cc(C(F)(F)F)nn1CC(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961744 WNOPITGZZCBWAB-ZJUUUORDSA-N 358.324 1.365 0 40 FDAB CCN1C[C@@H](C(=O)NCc2cc3c(nc2O)CCC3)[C@H](c2cn(C)cn2)C1 1614996034 WHINOCCQIKNDGY-HZPDHXFCSA-N 369.469 1.361 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](OC(F)F)C2)c(F)c1 1615000854 XSQLEDQEWDFCSP-BDAKNGLRSA-N 353.318 1.963 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCc2ncnn2C(C)C)[C@H]1c1nccn1CC 1615548695 ONZBSHSWDSNYBO-BBRMVZONSA-N 373.461 1.301 0 40 FDAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 391819416 NQTKWEGBRHWLDT-RKDXNWHRSA-N 360.819 1.313 0 40 FDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1CC1(O)CCN(c2ccc(F)cc2)CC1 585284410 RPQMZKBFJCPYMY-ZYSHUDEJSA-N 363.477 1.296 0 40 FDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1noc(C)c1COC 585278675 QJIMRMVNZPBXDJ-KBPBESRZSA-N 353.419 1.275 0 40 FDAB C[C@@H]1CCCCN1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 78739230 QCRHBQZMYLRXPC-OAGGEKHMSA-N 358.504 1.056 0 40 FDAB CCNC(=O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 41810080 QJLAENLFOAQHRE-UHFFFAOYSA-N 353.850 1.389 0 40 FDAB Cn1cc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 1615131472 UVBSPEGJPQXFDL-IBGZPJMESA-N 358.417 1.957 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2=O)cc1 5266696 PXDPZINNZXGRGL-KBPBESRZSA-N 373.453 1.612 0 40 FDAB C[C@H]1[C@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 5663369 IGKWESNBSFVVHE-ANQQZOTESA-N 354.487 1.053 0 40 FDAB O=C1CCc2cc(S(=O)(=O)NC[C@@H]3Cc4ccccc4O3)ccc2N1 12238948 CAXOFKOQGPFIJY-AWEZNQCLSA-N 358.419 1.853 0 40 FDAB CCS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2 14398840 TUVVFPKRFRITSR-UHFFFAOYSA-N 363.395 1.605 0 40 FDAB CC(=O)N1CCc2c(O)nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)nc2C1 19019056 GJDVWPOBCRNHGH-LSDHHAIUSA-N 370.453 1.759 0 40 FDAB CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19523577 NHSGKNQKPKXFEJ-HUUCEWRRSA-N 368.485 1.533 0 40 FDAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cccn3nnnc13)cn2C 19661821 RJHIKGLKRJWWQG-LBPRGKRZSA-N 364.409 1.986 0 40 FDAB COc1cc2nc(CN(C)[C@H]3CCCCN(C)C3=O)nc(O)c2cc1OC 634741297 XYGMKMONRFLXSI-AWEZNQCLSA-N 374.441 1.795 0 40 FDAB Cn1nc(C2CCN(c3ncnc4cnccc34)CC2)n(C2CC2)c1=O 1888897136 MGJOSUWYEAJLEO-UHFFFAOYSA-N 351.414 1.639 0 40 FDAB COc1ccc2nccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1 1889191944 FFHQTKZALZKQNH-GOSISDBHSA-N 369.421 1.707 0 40 FDAB O=C(NCc1ccco1)C(=O)NCC1CCN([C@@H]2CCSC2)CC1 253406952 VIQIUSZYZLCJQD-CQSZACIVSA-N 351.472 1.230 0 40 FDAB O=C(CCc1cncnc1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565546619 AZOVSRJMAPVMLJ-TXPKVOOTSA-N 354.410 1.642 0 40 FDAB CC(C)(C)NC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)CCF)C1 1565556086 WKHCNBWZUQWVHA-GOSISDBHSA-N 365.453 1.721 0 40 FDAB C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)CC[C@@]12CC[C@@H](C(=O)N(C)C)O2 1565546906 GWGHSCHPQYPTSR-AZOIQLNYSA-N 363.433 1.638 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)CC[C@H]21 1565549244 OQCXGFOMWMNAPO-IAGOWNOFSA-N 362.474 1.419 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 10330809 LLPXJUUCGDRXOB-HNNXBMFYSA-N 355.394 1.773 0 40 FDAB COCCN1CCC(CNC(=O)C(=O)Nc2cccc(SC)c2)CC1 23127343 QGWBFGGLROLSCU-UHFFFAOYSA-N 365.499 1.822 0 40 FDAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 103866390 SAPOOFFLLWATKE-MHORFTMASA-N 359.385 1.687 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 32760036 AWOHIPUTAPKFTK-INIZCTEOSA-N 355.394 1.755 0 40 FDAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1nnc2n1CCC2 32906574 LZNVZKJQEBJKKY-JXMROGBWSA-N 351.410 1.681 0 40 FDAB c1ccc(-n2nnnc2N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 52720983 IWBLDBKBPDDYSC-UHFFFAOYSA-N 362.437 1.919 0 40 FDAB Nc1cc(=O)n(CC(=O)N2CCCCCC2)c(=O)n1Cc1ccccc1 33575859 LMNJUQIGVUZZCP-UHFFFAOYSA-N 356.426 1.043 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1C[C@H]1C)n2CCC 22403806 OZTBTTNVATXNDL-VXGBXAGGSA-N 362.430 1.796 0 40 FDAB COc1ccc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1OC 12323910 HAVLUOWPOKFCRX-UHFFFAOYSA-N 368.397 1.333 0 40 FDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1nncs1 79485655 SUVNJNYRJAJAPB-ZDUSSCGKSA-N 374.470 1.393 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4275855 VVSILPIHCMHNLR-QUSNUVHPSA-N 351.399 1.116 0 40 FDAB Cc1sc2nc(CSCC(=O)N3CCCC3=O)[nH]c(=O)c2c1C 4485459 WQMMHTZBUAYPGT-UHFFFAOYSA-N 351.453 1.984 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 4749214 XYGBRLBTBVBFTD-TVQRCGJNSA-N 362.835 1.234 0 40 FDAB COc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1C 23929904 LKBWJOCWNPGZIO-UHFFFAOYSA-N 361.442 1.049 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CSc2ccccc2F)CC1 55227432 JTWRPLNQFYFWLT-CYBMUJFWSA-N 365.474 1.729 0 40 FDAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)Cn2cccn2)cc1 24806822 NURGUUHDXZHZSV-CYBMUJFWSA-N 356.455 1.944 0 40 FDAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 25053913 SJLSBEYUQRUBQZ-KRWDZBQOSA-N 367.369 1.234 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC2CC2)ccc1F 3214760 XEIXZXRCHCFPNY-UHFFFAOYSA-N 372.418 1.292 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C 12660025 IGYYVQDRBXNZLU-HZPDHXFCSA-N 372.421 1.960 0 40 FDAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 12648062 PVAIDLHTANUEDG-UHFFFAOYSA-N 369.425 1.857 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cc(-c2ccccc2)no1 57379610 IUQRTPFCQACSCP-AWEZNQCLSA-N 366.464 1.878 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 10051187 QPZHZVSZTJIOPN-UHFFFAOYSA-N 361.446 1.501 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)CN(C)CCOc1ccc(OC)cc1 12746628 URLKVDHERHURHY-CQSZACIVSA-N 351.447 1.037 0 40 FDAB O=C(NCc1ccc(OCC2CC2)nc1)c1cccc(-n2cnnn2)c1 58183762 DUUBUARFPHXNPS-UHFFFAOYSA-N 350.382 1.776 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)Cn2nnc(-c3ccccc3)n2)cc1 58195901 BNIDQKQKYFACFW-HNNXBMFYSA-N 354.366 1.567 0 40 FDAB 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351.410 1.804 0 40 FDAB Cn1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cn1 96911776 HJUAFBPRLOLOCI-NTEUORMPSA-N 356.407 1.886 0 40 FDAB CCOc1ncccc1CNC(=O)C(=O)Nc1nc(SC)ns1 95461288 IVBFDMVFBFGQCO-UHFFFAOYSA-N 353.429 1.309 0 40 FDAB O=C1C[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc21 95996943 BHHUHZFJEGKCIG-OAHLLOKOSA-N 355.379 1.268 0 40 FDAB CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@]12CCN(Cc1ccco1)C2 306128539 HDCKGUXQHLEUIE-LJQANCHMSA-N 372.473 1.490 0 40 FDAB CN1CCN(CC(=O)Nc2ccc(I)cc2)CC1 22795414 RRTSLNATKWWDGR-UHFFFAOYSA-N 359.211 1.477 0 40 FDAB O=C(c1ccccc1)N1CCN(CCS(=O)(=O)Oc2ccccc2)CC1 25388676 JRCQXIAFTXXDQQ-UHFFFAOYSA-N 374.462 1.853 0 40 FDAB CN(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 409380447 DOYZYULCIDVWAG-UHFFFAOYSA-N 361.467 1.958 0 40 FDAB Cc1occc(=O)c1OCc1noc(C(=O)NCCN2CCCCC2)n1 31813954 HPCKNIDZNJJRBL-UHFFFAOYSA-N 362.386 1.126 0 40 FDAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)CCN1C(=O)CCC1=O 39995431 LGVMHOBNVDRJFG-CQSZACIVSA-N 360.410 1.604 0 40 FDAB Cn1cc(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)nn1 77159310 ZNXDPAMEZXEEDX-UHFFFAOYSA-N 365.441 1.137 0 40 FDAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3ccn(C)n3)CC(=O)N1CC2 72342218 PKWNKJVSZJOHTB-OAHLLOKOSA-N 370.409 1.019 0 40 FDAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C(=O)CN(C)C)C2)n1 72360073 ZBKJOPDHXSRNCA-CQSZACIVSA-N 355.446 1.586 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C1CCN(c2cnccn2)CC1 328985968 UBQSWSMMNYBXIZ-INIZCTEOSA-N 370.457 1.633 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(F)cc(Cl)c1 566831835 WEGHZGGLRFAQPX-PRHODGIISA-N 351.783 1.637 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1)oc(=O)n2C 223337774 ZJQGJIYTRNSIHR-UHFFFAOYSA-N 361.379 1.340 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccccn2)ccc1OCC(=O)N(C)C 223242447 WZXWZIMHSKFKGK-UHFFFAOYSA-N 363.439 1.336 0 40 FDAB Cc1c(S(=O)(=O)N[C@H](C)c2ccc(OCC(=O)O)cc2)cnn1C 569841053 NJQKKAPEGJFIEJ-SNVBAGLBSA-N 353.400 1.231 0 40 FDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cnc2ccccc2n1 44003667 ANOOFSVNQIXLKY-UHFFFAOYSA-N 374.466 1.564 0 40 FDAB Cc1nnc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)s1 44903774 XJIIKPCODPYWLT-UHFFFAOYSA-N 360.443 1.317 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 43730548 XWLQFAKSDIEBEW-AYQNDCLTSA-N 371.412 1.851 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)OCc3nc(C)no3)CC2=O)cc1OC 44967501 NJVYYZNGTBWZLQ-NSHDSACASA-N 361.354 1.492 0 40 FDAB CN1CCC[C@@H](CN(C)C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 578451888 RZNDRNHCHANPAT-LLVKDONJSA-N 359.879 1.401 0 40 FDAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2ccnnc2)CC3)c1 96051720 WHITXTXUUKASPP-MRXNPFEDSA-N 353.426 1.630 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96219910 JOMBLUPIKVPMBE-YLJYHZDGSA-N 354.454 1.926 0 40 FDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107325 GZUVFGVQLVXDLD-APWZRJJASA-N 354.410 1.852 0 40 FDAB CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(C)cc3)CCC[C@]2(C(=O)O)C1 96064252 YYGDAAYBAJCPEG-PXNSSMCTSA-N 358.438 1.709 0 40 FDAB O=C(NCCc1ccncc1)C1CCN(c2ncnc3[nH]cnc23)CC1 95476330 DTPXNDMRGFGIBR-UHFFFAOYSA-N 351.414 1.323 0 40 FDAB O=C(c1cc(F)cc(F)c1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247961876 YCFAJZBSYMHAPX-AWEZNQCLSA-N 366.408 1.918 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)OC)(c1ccccc1)N[C@H]2c1ccco1 245229668 CSTXXNOXJXSUHV-QOIOWGMHSA-N 368.389 1.614 0 40 FDAB O=C(CO[C@H]1CN(CC2CCOCC2)Cc2cccn2C1)N1CCCC1 247747121 SEPJPFXTFZADHI-IBGZPJMESA-N 361.486 1.738 0 40 FDAB CCN(CC(=O)N1CCCCCC1)C(=O)c1cnc2c(cnn2C)c1OC 585082553 HUQITUIEUMEEHZ-UHFFFAOYSA-N 373.457 1.842 0 40 FDAB CNc1cccc([C@@H]2CN(C(=O)c3ccnc(NC(C)=O)c3)CCO2)n1 257229230 FXHAPWBXZKGQCY-HNNXBMFYSA-N 355.398 1.690 0 40 FDAB CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3ccccc3)C2)ncn1 257331015 XQZZQBHKNPLFOK-LJQANCHMSA-N 355.442 1.304 0 40 FDAB CN(C[C@@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CCCC(=O)O 257209143 BPEUOPJAGZLMOC-IBGZPJMESA-N 374.441 1.379 0 40 FDAB Cn1nc(-c2cccnc2)cc1CNC(=O)Cn1c(=O)oc2ccccc21 253473839 ZCRIMGBAHKFKHT-UHFFFAOYSA-N 363.377 1.706 0 40 FDAB CS(=O)(=O)N1CCC(c2cnc(-c3cnc4ncccn34)cn2)CC1 257262310 LKXCHNPPYZZWJN-UHFFFAOYSA-N 358.427 1.325 0 40 FDAB Cc1ncc(-c2nccnc2[C@H]2CCCN(C(=O)c3cnccn3)C2)n1C 257336453 YOMLYJNKYGEGBB-AWEZNQCLSA-N 363.425 1.995 0 40 FDAB CN(C)CCN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1=O 650301980 NPOPSUJLGGRERT-UHFFFAOYSA-N 372.513 1.519 0 40 FDAB COc1ccc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1F 96120427 WFGCEUZKPLGRIN-UHFFFAOYSA-N 370.446 1.768 0 40 FDAB CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575424079 RTPPSWNKBSSNSN-AWEZNQCLSA-N 355.456 1.786 0 40 FDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3cnc(C)nc3O)C2)c1 585277505 VZGKILCSKKTQIF-IBGZPJMESA-N 357.410 1.845 0 40 FDAB Cc1noc(CN2CCCC[C@@H](NS(=O)(=O)c3cccs3)C2=O)n1 585088441 MGXSHXDNHOXVMU-LLVKDONJSA-N 370.456 1.299 0 40 FDAB COCCN1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 585101790 GSTCSJLGBTXOIN-IBGZPJMESA-N 373.432 1.733 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 19171064 URHTWNGDKPUWMO-UHFFFAOYSA-N 361.423 1.864 0 40 FDAB CO[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](OC(C)=O)[C@@H]1OC(C)=O 5664581 WPKMEYBOQBQROJ-HWMZRRJGSA-N 352.339 1.078 0 40 FDAB Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)CC2CCCC2)n1 19695704 QUXFFQKQTUNTRE-UHFFFAOYSA-N 360.458 1.496 0 40 FDAB Cc1nnsc1C(=O)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1 19747736 NDUOPNXJJQSSHM-HNNXBMFYSA-N 372.450 1.272 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)c2ccccc2)s1 17247019 NGWCEDPLVHKPCK-UHFFFAOYSA-N 367.448 1.880 0 40 FDAB Cc1cc(C)n(C2=NCCN2S(=O)(=O)c2c(C)nn(C)c2Cl)n1 2380479 ZYWYSMAAYQQOMH-UHFFFAOYSA-N 356.839 1.104 0 40 FDAB COc1ccc(-n2nc(C(=O)NC[C@H]3CCN(C(C)=O)C3)cc2C)cc1 576931807 ZQHPHDZDYQYPGO-OAHLLOKOSA-N 356.426 1.788 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218853 PLOXKBRFYGSPNZ-BMLIUANNSA-N 353.369 1.893 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nnc(C2CC2)s1 21292958 YNIZICPENZMYDR-ZETCQYMHSA-N 371.444 1.326 0 40 FDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)O1 1614935364 WFTLUQMTDAQLRH-SJLPKXTDSA-N 351.422 1.101 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CCc1ccc[nH]1)OC2 1565547569 LJCJXHFLLGEPSW-CYBMUJFWSA-N 359.430 1.068 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cs1 1565544359 JBSQNAQDGDVRSE-UHFFFAOYSA-N 357.439 1.901 0 40 FDAB COCCN1CCCC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1=O 1565544548 KWGDARRKPRISGD-UHFFFAOYSA-N 363.433 1.641 0 40 FDAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1ccccc1F 11665946 PGQHUTMXWUUYBL-UHFFFAOYSA-N 354.389 1.996 0 40 FDAB CCOc1ccsc1C(=O)N1CCC[C@](C(=O)NC)(n2cccn2)C1 2055771961 MUCQRMFXSCLSQO-KRWDZBQOSA-N 362.455 1.721 0 40 FDAB Cc1ccc(C(=O)N2CCc3nc(C(=O)NCC4CC4)n(C)c3CC2)o1 2055751336 MEKDPYALFNQBPJ-UHFFFAOYSA-N 356.426 1.702 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 2055812512 JFIRWBSONGSGNR-PMACEKPBSA-N 371.485 1.416 0 40 FDAB COCC(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 23139284 ONMLDNUSAICXKA-UHFFFAOYSA-N 350.400 1.124 0 40 FDAB COc1ccccc1CN1CC[C@H](c2nn(CCN)c3nccnc23)C1 19570044 VGQXWXNINCWXSM-HNNXBMFYSA-N 352.442 1.783 0 40 FDAB O=S(=O)(NCC[C@H](O)c1cccs1)c1ccc2c(c1)OCCO2 77114926 BWGLOMXAEADDIB-LBPRGKRZSA-N 355.437 1.921 0 40 FDAB C[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1nnc2ccccc2c1=O 79495050 HAMZPLPLMKEADP-NJSLBKSFSA-N 356.426 1.506 0 40 FDAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCN(C(=O)C2CC2)CC1 32902491 XJMATRRDNYSNQO-MRXNPFEDSA-N 355.438 1.658 0 40 FDAB O=S(=O)(NCc1ccccc1CN1CCOCC1)N1CCCCCC1 22412693 RBVJFXWLLJNBOY-UHFFFAOYSA-N 367.515 1.729 0 40 FDAB Nc1nn2c(=O)cc(CSc3nccn3-c3cccc(F)c3)nc2[nH]1 103936871 PHVXLGTVTRWBCE-UHFFFAOYSA-N 357.374 1.617 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2C1 104080706 VHSIHOAIHAZKCT-ZBERQUOHSA-N 366.417 1.161 0 40 FDAB CC(=O)Nc1ccc2nc(NC(=O)CCSCC(N)=O)sc2c1 23098314 RFJIAKKQJLLJAM-UHFFFAOYSA-N 352.441 1.802 0 40 FDAB CCCN1C(=O)C(=O)N(CN2CCN(Cc3cccc(C)c3)CC2)C1=O 23248868 LBBIKYFOULURLT-UHFFFAOYSA-N 358.442 1.271 0 40 FDAB Cc1cc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)no1 12522227 UYALZVAMGQHJIU-JTQLQIEISA-N 370.456 1.748 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1C 7318401 GBONKTKVNVGZSM-JTQLQIEISA-N 371.397 1.025 0 40 FDAB O=C(OC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 107327163 UAGNEVWVQFCLOW-IHRRRGAJSA-N 368.455 1.629 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(CC)cc43)[C@@H]2C1=O 35485403 KXLTXXAKZWEYMN-KCQBUTHOSA-N 355.438 1.789 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 9962072 HMDVFETXIYOEOV-MRXNPFEDSA-N 367.409 1.502 0 40 FDAB CN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 12782528 YHSINJRHZSHANI-AWEZNQCLSA-N 352.456 1.930 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58170893 QMSRQHAJNDNGNI-OAHLLOKOSA-N 352.456 1.722 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3313890 ZMNYVWYAPWVTIO-UHFFFAOYSA-N 354.409 1.120 0 40 FDAB Cc1csc(CN2C[C@H](C(=O)NCc3cccnc3)[C@H]3OCC[C@H]32)n1 108527483 VBYDZFCESZVKHE-ZMSDIMECSA-N 358.467 1.752 0 40 FDAB COc1ccc(OC[C@H](O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)cc1 12807906 NLXVECVYVYCHQD-CQSZACIVSA-N 369.421 1.803 0 40 FDAB CN1C(=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)N=C1O 2415271 PYWZFXXNUSYXTC-JTQLQIEISA-N 371.724 1.263 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cn3)cc2[nH]1 28248872 LPSWXHWKTSALDU-UHFFFAOYSA-N 369.200 1.815 0 40 FDAB CS(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 11795924 GDFNBYRNRLTMKD-GFCCVEGCSA-N 355.441 1.281 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 11865982 NFHKJFLFJRGKCV-LBPRGKRZSA-N 350.378 1.985 0 40 FDAB COc1ccccc1CNC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 29520153 LHAFCRCSBIGTJL-UHFFFAOYSA-N 350.396 1.281 0 40 FDAB Cc1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(=O)n(-c2ccccc2)n1C 4392597 WVNOOVBYOULPIH-ZDUSSCGKSA-N 363.439 1.248 0 40 FDAB Cn1ccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 14122562 DYYFFRARKJKDIK-UHFFFAOYSA-N 373.438 1.220 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 4514880 YWVWJHCTXWOTSF-BFUOFWGJSA-N 359.426 1.812 0 40 FDAB CC(C)(CNC(=O)C[C@H]1Sc2ccccc2NC1=O)N1CCOCC1 14233264 DHJHFQBIEXEFIG-OAHLLOKOSA-N 363.483 1.717 0 40 FDAB CN1C(=O)C[C@@H](C(=O)N2CCc3c(ncn3C3CC3)C2)[C@@H]1c1cccnc1 95397152 DOGWYGHHVWOKCN-BEFAXECRSA-N 365.437 1.717 0 40 FDAB CC1(C)Cc2c(sc(NC(=O)NC[C@H]3CCCO3)c2C(N)=O)CO1 6661438 YVPVDKFRPOVDIH-SECBINFHSA-N 353.444 1.999 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)Cn2nnc3ccccc3c2=O)c1C 6671912 FMABQZRGOVXGPN-UHFFFAOYSA-N 365.393 1.163 0 40 FDAB COc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 14807643 XGMBMASGKCUPQD-UHFFFAOYSA-N 355.412 1.093 0 40 FDAB CC[C@]1(C)NC(=O)N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365070 UNFIDFDYJAICAL-YJYMSZOUSA-N 374.441 1.571 0 40 FDAB CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 69131652 HISAZYYHWIPFOS-MRXNPFEDSA-N 357.479 1.863 0 40 FDAB CC(C)n1ncc2cc(NC(=O)Cn3nnc4ccccc4c3=O)cnc21 17574734 QPACCIPOBHYQTD-UHFFFAOYSA-N 363.381 1.756 0 40 FDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1O 17912586 UKMJIIIKWOWOLC-UHFFFAOYSA-N 369.421 1.940 0 40 FDAB Cc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)c1 8719679 AYMWGELAMHRFGF-UHFFFAOYSA-N 360.801 1.587 0 40 FDAB C[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)S(N)(=O)=O 95454131 PHVQCTICACMATN-SECBINFHSA-N 352.437 1.714 0 40 FDAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(Cc3ccccc3F)C[C@@H]12 306130298 JBTXEMVBMMJUNP-BQFCYCMXSA-N 350.434 1.767 0 40 FDAB C[C@@]1(c2ccc(C(=O)NCCc3ccccc3F)cc2)NC(=O)NC1=O 72311819 JBNKPJFACVAPLN-IBGZPJMESA-N 355.369 1.853 0 40 FDAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 306142628 XEZUEEDGWJTAQD-OAHLLOKOSA-N 357.414 1.440 0 40 FDAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCOCC1 409135243 VXNMJGRIVZAZPH-UHFFFAOYSA-N 360.395 1.814 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2)C1CC1 306134012 NBQRJZNHHNXHRO-RDTXWAMCSA-N 355.398 1.375 0 40 FDAB COc1ccc(NC(=O)CCCn2c(O)nc3ccccc3c2=O)cn1 524733550 UYNLPFJZEKNZBN-UHFFFAOYSA-N 354.366 1.925 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NCC1CCN(c2cnccn2)CC1 70898256 CJIJFZRQFOXMOD-UHFFFAOYSA-N 367.453 1.168 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1c(F)cccc1F 45896211 QZRODOLHSKWTCM-ZDUSSCGKSA-N 351.313 1.430 0 40 FDAB COc1ccccc1N1CCN(C(=O)COc2c(C)[nH]ccc2=O)CC1 40266244 MGVMMYLSRKAEET-UHFFFAOYSA-N 357.410 1.420 0 40 FDAB COCc1nn2c(nnc3c(=O)n(N(C)C)ccc32)c1-c1ccccc1 40391257 RCMRFMJVSPQYMS-UHFFFAOYSA-N 350.382 1.450 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCOC 224772404 PTXBADOMICOTNI-OAHLLOKOSA-N 358.460 1.393 0 40 FDAB COc1cncc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1 573442451 ITLHIPOZILYPII-HNNXBMFYSA-N 350.396 1.893 0 40 FDAB COc1cc(C(F)(F)F)nc(NC(=S)NCCN2CCOCC2)n1 225905412 VFFSYGMUDDTZOZ-UHFFFAOYSA-N 365.381 1.123 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4nccs4)C3)N2C1 514289264 KLYHMOJSKAKFQQ-ZWKOTPCHSA-N 370.522 1.649 0 40 FDAB biogenic,in-vitro O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96055586 NVMAKMKAKQWELG-KFWWJZLASA-N 351.472 1.418 0 40 FDAB O=C(c1cccs1)N1CCOC[C@]2(C1)CN(c1ccccn1)C(=O)CO2 96051375 BJYUAVFTXMOQLA-SFHVURJKSA-N 373.434 1.418 0 40 FDAB CCN1CC2(CCN(C(C)=O)CC2)COc2ccccc2S1(=O)=O 96145115 XJLOQOJWJAHCAB-UHFFFAOYSA-N 352.456 1.718 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(OC)nn3)C2)s1 95476748 ANPVKSGWVYCKHV-SNVBAGLBSA-N 364.431 1.338 0 40 FDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(c3ccccn3)CC2)n[nH]1 95472209 PXJSBXLYRWIGTR-UHFFFAOYSA-N 365.441 1.784 0 40 FDAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 248126606 LWSGPLRHBKVJLQ-OAHLLOKOSA-N 353.426 1.487 0 40 FDAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C(=O)c1cnccn1)C2 247848263 UDBXETGRZZTIOF-MRXNPFEDSA-N 354.410 1.770 0 40 FDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O 242425549 BOKVLSLNUWIKTD-NFAWXSAZSA-N 357.453 1.235 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(Cc3cccc(Cl)c3)C2)CN1CC1CC1 247978439 WQMNRSOLGAEBGQ-KRWDZBQOSA-N 363.889 1.751 0 40 FDAB CCCn1cc(-c2cnc(C[C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257240489 HTSCMYCCTCYCFH-CQSZACIVSA-N 363.487 1.964 0 40 FDAB C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(C(=O)N2C[C@H](O)CC[C@H]2C)cn1 649201600 DMZSIWPIRAGZFK-CLWVCHIJSA-N 361.442 1.052 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(C2CC2)n(C)n1 656857352 ASLWRNYIMOQQLQ-SJCJKPOMSA-N 356.430 1.264 0 40 FDAB CCO[C@H]1C[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 661078142 IROPYBIIZSDDJK-AYMQEEERSA-N 363.462 1.115 0 40 FDAB Cc1ccc(CS(=O)(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c(F)c1 1775961738 WGXPTGVFXIDMIW-OCCSQVGLSA-N 354.407 1.592 0 40 FDAB CN(C)c1ncc(C(=O)NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)cc1Cl 1775961647 PVYJVVZAXVGBMB-PWSUYJOCSA-N 350.810 1.569 0 40 FDAB O=S(=O)(NCCn1ccnc1-c1cnccn1)c1ccc2c(c1)CCO2 575608388 FPJKMRZJTPCSLG-UHFFFAOYSA-N 371.422 1.254 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2sccc2C)Cc2ccnn21 585112249 NNNPKTOCYRFTJC-CQSZACIVSA-N 354.501 1.749 0 40 FDAB Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@H]2C)no1 585098521 UMZISYFEQKJMPI-CYBMUJFWSA-N 354.414 1.995 0 40 FDAB O=C(CCN1CCOCC1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585280226 DCESZZSBYUEANT-AEFFLSMTSA-N 350.434 1.300 0 40 FDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)C(C)C)CC1 32738218 GHNQDJYLGAXICG-UHFFFAOYSA-N 356.426 1.821 0 40 FDAB O=S(=O)(NCc1cccnc1-n1cccn1)c1ccc2c(c1)CCO2 40105073 AXGILEGFPDIBOM-UHFFFAOYSA-N 356.407 1.681 0 40 FDAB O=C(NCCc1ccccc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188738 MVOPRACFQVXCFS-OAHLLOKOSA-N 373.478 1.704 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)NC1=S 8092016 HWXZCCUMJYFLHU-POHAHGRESA-N 355.213 1.680 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2ccc(COC)cc2)NC(=O)N[C@H]1C 5085592 HULWNJVWXUCFAE-NSHDSACASA-N 362.382 1.508 0 40 FDAB CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665773 KEEYOOFSCGGGDS-UHFFFAOYSA-N 351.414 1.578 0 40 FDAB CCCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 12242277 XFRLOJXJKFHZFX-UFRUDQCGSA-N 371.485 1.716 0 40 FDAB CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2 19498836 UMTQIDKGRDTNMZ-HNNXBMFYSA-N 358.442 1.528 0 40 FDAB Cn1cnc2c(N3CCN(c4nc5cnccc5s4)CC3)ncnc21 1888914757 SYAGDUHOVDFHDG-UHFFFAOYSA-N 352.427 1.695 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncncc4C)C[C@@H]3C2)s1 1889147556 GAVBATKJDLKGEA-OKILXGFUSA-N 364.496 1.912 0 40 FDAB O=C(NCCn1ccc2ccoc2c1=O)c1ccc(N2CCOCC2)cc1 245026720 NIIFPGNKNYYYKZ-UHFFFAOYSA-N 367.405 1.861 0 40 FDAB CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2cccc(Br)c2)C1 530152769 YTVAGCXLCGOIOC-LBPRGKRZSA-N 364.217 1.313 0 40 FDAB CCOCCn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4250528 ZZAFQZMFKKHGPV-UHFFFAOYSA-N 367.409 1.484 0 40 FDAB COc1ncccc1C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732384 GDETWTJJRGKLLM-CYBMUJFWSA-N 372.425 1.198 0 40 FDAB COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccn3nccc3c2)c1 244970210 HOBGYIDBWIPRPU-UHFFFAOYSA-N 361.379 1.930 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 31545942 KIDNKFKWFKDPJR-NSHDSACASA-N 364.471 1.494 0 40 FDAB CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](c2ccccc2)C1 30030261 OTJYOHDBHWVHAL-HNNXBMFYSA-N 356.451 1.478 0 40 FDAB NC(=O)c1ccc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)nc1 103132276 BCUSWUBHPHFAPQ-INIZCTEOSA-N 352.438 1.475 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1cccc(Cl)c1 103412603 KMKIKJRLFQFSAP-MGBSGCIJSA-N 358.825 1.806 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1C[C@@H]1C)n2CCC 22403804 OZTBTTNVATXNDL-NWDGAFQWSA-N 362.430 1.796 0 40 FDAB O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2cccnc2)C1)c1ccccc1 12324720 PCNCXCBSLSLSMP-MRXNPFEDSA-N 366.421 1.689 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 54128843 HPKWIKOGPSSWEZ-KRWDZBQOSA-N 357.454 1.666 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)/N=c1\[nH]cn[nH]1 23142673 MSHVEGIKXMSGNF-NSHDSACASA-N 366.219 1.382 0 40 FDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H](n2cccn2)C1 104884677 KRWMOHLQVYESFM-AWEZNQCLSA-N 354.414 1.242 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccccc3O)CC1)C2=O 23642024 JFKDKBVZEFWTJF-MGPUTAFESA-N 372.469 1.972 0 40 FDAB CCOc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OCC 6964171 ARCXJPSRKPIMAO-WQLSENKSSA-N 364.423 1.715 0 40 FDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCN(C(C)=O)CC2)c1 24710715 DLYPBAYRWHJWPM-UHFFFAOYSA-N 353.444 1.196 0 40 FDAB CC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 24775858 IHUVGSLMQMSFKV-UHFFFAOYSA-N 355.394 1.765 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 8560579 HWTKBDDZKPNMEA-CYBMUJFWSA-N 370.471 1.635 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCN(c3ccccc3F)CC2)C1=O 12533475 SEZVUHYPKICJMH-UHFFFAOYSA-N 362.405 1.149 0 40 FDAB COCCCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2cccnc2N1 100208189 ZJKMGFUADCBVHZ-NJURLCNJSA-N 372.469 1.912 0 40 FDAB Cc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)c(C(C)(C)C)c1 27531049 DQHNEHZNQPUDAW-KRWDZBQOSA-N 350.503 1.642 0 40 FDAB CCOC(=O)CCCN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 58156881 JSEKVGMRHBQJAO-UHFFFAOYSA-N 368.478 1.581 0 40 FDAB O=C(CN1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 25778896 RVFXCPVZDYFYBR-UHFFFAOYSA-N 357.376 1.686 0 40 FDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@@H](C(=O)OC)CC2=O)CC1 57327996 NFMQTUJIRLMJJH-ZBFHGGJFSA-N 358.438 1.981 0 40 FDAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58186423 PDQUVILYBRVVNA-LBPRGKRZSA-N 350.444 1.442 0 40 FDAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(N)(=O)=O 29651688 ODWVSDHSXMMCTO-UHFFFAOYSA-N 364.379 1.001 0 40 FDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2ccco2)c1 44901613 MYAINTKYMLKLRT-UHFFFAOYSA-N 352.350 1.499 0 40 FDAB CCC[C@@H]1NC(=O)N(C[C@@H](O)COc2cccc(C(=O)OCC)c2)C1=O 12770055 GVCOAEXMUONRCM-HIFRSBDPSA-N 364.398 1.324 0 40 FDAB CN(C)C(=O)CN1CCC2(CC1)C(=O)N(C[C@H]1CCOC1)c1ccccc12 104788180 HAQBGILGIKUZRP-MRXNPFEDSA-N 371.481 1.492 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 102201849 MFKPYASVZNUPKO-VGWMRTNUSA-N 358.394 1.673 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 36684304 NCEOYNMGGQOXFQ-GOSISDBHSA-N 359.470 1.830 0 40 FDAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1 48333313 BAAOFRUNMBGIFA-CQSZACIVSA-N 355.412 1.580 0 40 FDAB C[C@@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccc(F)cc1F 12959118 GOKOYAZXJAHLIO-SECBINFHSA-N 354.309 1.374 0 40 FDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(C(=O)O)cc1 13317281 CPQGKUUTYNRSKK-UHFFFAOYSA-N 373.409 1.646 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(C)n2-c2ccccc2)CC1 6109242 PXCIJVCHEPPBKH-UHFFFAOYSA-N 359.455 1.359 0 40 FDAB CC(C)c1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9363865 GZEIMSKYYJQIJJ-UHFFFAOYSA-N 369.425 1.586 0 40 FDAB C[C@@H](O)c1ccc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 65536934 XFXWOYPVDHQXOF-FZKQIMNGSA-N 366.421 1.476 0 40 FDAB O=C(c1ccc2ncsc2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14246618 ODSBUKJWWLXSKB-ZDUSSCGKSA-N 365.480 1.241 0 40 FDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 6589415 YIFKUFLMCRQJAL-LJQANCHMSA-N 369.377 1.826 0 40 FDAB Cc1cccc(-n2c(SCC(=O)NC3CC3)nnc2N2CCOCC2)c1 6993829 URXGHSOQJLKFBB-UHFFFAOYSA-N 373.482 1.783 0 40 FDAB Cc1cc(C)cc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 4943386 SJWXSQKXFSGQAD-UHFFFAOYSA-N 355.398 1.079 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)Nc2ccnn2C(C)C)nc1N 15279022 MVGALPTXHMKMJN-UHFFFAOYSA-N 364.431 1.744 0 40 FDAB CNC(=O)CNC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7535408 SCWDXSDSPIEURE-UHFFFAOYSA-N 355.420 1.375 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccn(COc2ccccc2Cl)n1 27972467 LZYZLGCZROGNGG-LLVKDONJSA-N 369.830 1.490 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccnn1C)C2 306123652 ATDOUNSUVLHVIQ-AWEZNQCLSA-N 373.432 1.570 0 40 FDAB NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 69414360 XAABDCHRDYOQTO-NVXWUHKLSA-N 361.442 1.907 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1ccc(C)nc1 24131453 VTAKFZMZLLUGDA-UHFFFAOYSA-N 374.393 1.889 0 40 FDAB CCOC(=O)c1cc(OCC(=O)N[C@H](C)COC)cc(C(=O)OCC)c1 8752345 CBAJXCLZDYMZNL-GFCCVEGCSA-N 367.398 1.570 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 408607900 QXPGEAOFAJLAHG-UHFFFAOYSA-N 368.455 1.068 0 40 FDAB CCN(CC)C(=O)CN1CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 97287986 VEKRIDWXDWAKBX-UHFFFAOYSA-N 357.458 1.498 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 20900224 UQXPLOCWUAXWQT-UHFFFAOYSA-N 358.398 1.970 0 40 FDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1O 408548894 MZFADBGAWFUODA-BJMVGYQFSA-N 354.746 1.510 0 40 FDAB CC(C)CNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704914 VPENIJXPMDEETG-GFCCVEGCSA-N 356.444 1.385 0 40 FDAB CN(C(=O)Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)c1ccccc1 36365831 BJYPQYSGWHNODJ-UHFFFAOYSA-N 363.377 1.696 0 40 FDAB C=C1C2=C(Nc3nnnn3[C@@H]2c2cc(OC)ccc2OC)C(=O)N1CCC 35323743 SUMJRNYNQDOESJ-MRXNPFEDSA-N 368.397 1.725 0 40 FDAB O=C(NC[C@H](Oc1ccc(Br)cc1)C(=O)O)[C@H]1CCOC1 563200397 HXPDLFCAPVGOBP-CABZTGNLSA-N 358.188 1.434 0 40 FDAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223162445 CYZGOOIVXCNJCU-MSOLQXFVSA-N 371.510 1.725 0 40 FDAB Cc1cccc(/C=C/C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 48273010 HKNRQJUNINWTGH-AATRIKPKSA-N 357.454 1.011 0 40 FDAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1S(=O)(=O)N(C)C 96109850 BLFAJQNNOIWVRH-GFCCVEGCSA-N 351.432 1.040 0 40 FDAB COc1ncccc1CN1C[C@H]2OCCN(C(=O)c3ccco3)C[C@H]2C1 96208978 LOYDGCDPPBWPSJ-NVXWUHKLSA-N 357.410 1.656 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccncc2)O1 96186952 MEWVQPUMPWBNAU-QRVBRYPASA-N 359.470 1.746 0 40 FDAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cn1cc(S(N)(=O)=O)cn1 332197532 WKROLRFXZAFXCB-QWRGUYRKSA-N 366.418 1.204 0 40 FDAB COC(=O)CCC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]2C1 96245449 UHYYCOVGOWOAON-IRXDYDNUSA-N 358.438 1.489 0 40 FDAB O=C1CCCN1CCCSc1nnnn1-c1ccc2c(c1)OCCO2 523878515 XAEUDTFTWXHJAH-UHFFFAOYSA-N 361.427 1.538 0 40 FDAB CCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 257306478 SUKRPZDUEDAHAF-INIZCTEOSA-N 374.485 1.611 0 40 FDAB N[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1c1cccc(F)c1 638342260 MVSABNNLKMNHBG-UHOFOFEASA-N 359.405 1.021 0 40 FDAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCCn1ccccc1=O)N1CCCC1 1615550174 SQWHLKWRLPTYKZ-ULQDDVLXSA-N 373.453 1.009 0 40 FDAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@@H](O)Cc2ccccc21 578836039 PDGZRNSAJTYWKS-NSHDSACASA-N 353.421 1.867 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CCOC[C@](O)(COc2ccccc2)C1 585278068 QAIAFUPGRQFMHW-IBGZPJMESA-N 357.410 1.181 0 40 FDAB CO[C@@]1(COc2ccccc2C)CCN(CC(=O)Nc2ccn(C)n2)C1 585278011 ZQSQWDNGUWOILC-IBGZPJMESA-N 358.442 1.837 0 40 FDAB CN(C(=O)[C@@H]1CCCCO1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565522065 IDIVMJGAYQGQGP-AWEZNQCLSA-N 372.473 1.638 0 40 FDAB COCCOCCC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 76017472 YXTOVAWEDRRRAW-UHFFFAOYSA-N 354.451 1.064 0 40 FDAB CCC(CC)(C(=O)O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 653305284 HWNQVJJPMOPKPA-AWEZNQCLSA-N 353.463 1.033 0 40 FDAB CC(=O)CCC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615132025 WARIQFMFKNPZKB-UHFFFAOYSA-N 362.401 1.919 0 40 FDAB COC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@H]1c1ccccc1C 5018465 AQAGBEWIWCYYQH-ZDUSSCGKSA-N 374.426 1.092 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 5718803 DJQTYOPQIZTKNN-OAFZBRQQSA-N 357.362 1.093 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cnn(C)c4)[C@H]3C2)cc1 19211879 IFFUJPBMTFQCQM-COXVUDFISA-N 374.466 1.168 0 40 FDAB CN(C)c1nccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)[C@@H]2CCCO2)n1 19585794 SKFMSGWQAIMDHZ-CABCVRRESA-N 356.430 1.775 0 40 FDAB CCn1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)n1 19578004 MEPBQOJRSRHJRB-CQSZACIVSA-N 356.430 1.165 0 40 FDAB CCCC(=O)N1CCC(N2C(=O)NC3(CCN(CC)CC3)C2=O)CC1 19699541 PBYZARCCVQFHKT-UHFFFAOYSA-N 350.463 1.184 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c1 154012864 BNIZYHUPIQNEBR-OAHLLOKOSA-N 370.519 1.776 0 40 FDAB Cc1noc(C)c1CCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831839 VJCVHSBGLSNEJT-ZDUSSCGKSA-N 355.402 1.057 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)CC1 1889138863 LTVJFRBINPYVEK-QGZVFWFLSA-N 359.474 1.471 0 40 FDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1ccc2c(c1)ncn2C 2037884068 QGWPHOZMVCCHDC-IBGZPJMESA-N 366.425 1.077 0 40 FDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2cccc(=O)n2C)cn1 1614933563 GUPUUGYXHQSBCY-ZWKOTPCHSA-N 370.453 1.371 0 40 FDAB COc1cnccc1C(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1 1565553887 MGMBQLDKOACZAU-UHFFFAOYSA-N 360.439 1.490 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552077 JHOJYZVSLQCGLD-VQIMIIECSA-N 368.441 1.461 0 40 FDAB CCn1cc(CN2CCC3(CC2)CC(NC(=O)Cc2cn[nH]c2)C3)cn1 1565541870 GTJXQMGICVVGIP-UHFFFAOYSA-N 356.474 1.730 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cs1 1565553416 YDKLZNWBLHWASH-UHFFFAOYSA-N 359.455 1.610 0 40 FDAB COc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1OC 8955603 AVFSKQFRPHSERZ-UHFFFAOYSA-N 360.395 1.331 0 40 FDAB COCCN1CCO[C@@H]2CCN(C(=O)Cc3noc4ccccc34)CC[C@H]21 2055746293 KVZYSJWBUSOIGB-IEBWSBKVSA-N 373.453 1.709 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CCOCC2)cc1 23106907 AHMFBNOZPJAHOY-IBGZPJMESA-N 373.497 1.933 0 40 FDAB COCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(OC)ccc21 100873199 PGGPGWCUCLIGIU-MSUUIHNZSA-N 350.396 1.673 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)NCCNC(=O)c2ccccc2)cc1 10490698 MXWVGMWOUSKAJH-UHFFFAOYSA-N 361.423 1.413 0 40 FDAB Cc1cc(=O)c(C(=O)NC[C@H](C(C)C)N(C)C)nn1-c1ccccc1F 40047509 DGRLPGZILSZWLP-MRXNPFEDSA-N 360.433 1.996 0 40 FDAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40284090 WOGAMBTYYDKBDM-UHFFFAOYSA-N 369.347 1.748 0 40 FDAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@@H]1CC 31641081 QUMPGBHKYVZKCD-SNVBAGLBSA-N 362.411 1.367 0 40 FDAB COc1ccccc1CN1C[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)CC1=O 32071578 HJKKXLMHJUTVIX-CQSZACIVSA-N 364.405 1.981 0 40 FDAB O=C(COCc1nc2ccccc2s1)NCCNC(=O)c1cccnc1 32363780 YOHHXRDRLLPNMW-UHFFFAOYSA-N 370.434 1.754 0 40 FDAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccncc1 22471629 ACFXUOUANXOGEK-UHFFFAOYSA-N 365.393 1.210 0 40 FDAB CCC(=O)N1C(=O)[C@H](C)[C@@]23c4cc(OC)c(OC)cc4C(=O)N2CCCN13 1590832 JXNRSNCIPYXLIB-JEOXALJRSA-N 373.409 1.348 0 40 FDAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 23197551 JWSWHLZNFSJVBS-SJORKVTESA-N 352.500 1.490 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 23642190 GQQYNIDXICBXLF-UHFFFAOYSA-N 358.398 1.298 0 40 FDAB CCNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681725 CSVICYNTLKQIDJ-UHFFFAOYSA-N 354.409 1.997 0 40 FDAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1C 24688798 KKOHCVJRWHIDPA-OAHLLOKOSA-N 354.472 1.613 0 40 FDAB Nc1nnc2nc(CC(=O)c3ccccc3)c(CC(=O)c3ccccc3)nn12 8655114 CXVJBPUUTPJSQW-UHFFFAOYSA-N 372.388 1.952 0 40 FDAB CCNC(=O)NC(=O)CN1CCO[C@@H](c2cccc(Br)c2)C1 58175823 ZCADRVXOZKAMMU-CYBMUJFWSA-N 370.247 1.668 0 40 FDAB Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cccs3)CC2)on1 58137911 JZYMCPOOZZCPRF-UHFFFAOYSA-N 355.441 1.628 0 40 FDAB COC(=O)C[C@H](NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1 55291657 SKHARGCSWPABPQ-LZWOXQAQSA-N 370.471 1.543 0 40 FDAB CCCCn1c(N)c(N(C(=O)Cn2ccnc2)C2CCCC2)c(=O)[nH]c1=O 10809836 RIWTVSCMJRSFEL-UHFFFAOYSA-N 374.445 1.091 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 36435360 LPBKMXUQZYSADO-HBUWYVDXSA-N 351.447 1.720 0 40 FDAB NC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 11188259 LBVCOJSSRNENKX-CQSZACIVSA-N 359.455 1.591 0 40 FDAB Cn1c(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(=O)n(C)c1=O 11366182 KCZPNBMERKBMFF-UHFFFAOYSA-N 367.405 1.801 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(F)F)CC3)CC2=O)cc1 60240798 XOEGGCHTSYIWFG-AWEZNQCLSA-N 351.397 1.757 0 40 FDAB O=S(=O)(NCCSc1ccccn1)c1ccc2c(c1)OCCO2 20461257 RGIDXDLNQHZQCH-UHFFFAOYSA-N 352.437 1.923 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 12818334 ZGUVALAIYMNMCN-ZFWWWQNUSA-N 353.440 1.576 0 40 FDAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3403992 DDLLUNRJPBOJLM-VIFPVBQESA-N 362.835 1.449 0 40 FDAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 3440386 JVQRMTKDWAXAAG-SFHVURJKSA-N 364.511 1.587 0 40 FDAB Cn1cccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473370 UBLKPWCCRNKHQU-NSHDSACASA-N 355.373 1.710 0 40 FDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 49544292 VIHOOUCHYJNYNP-HNNXBMFYSA-N 356.378 1.352 0 40 FDAB CS(=O)(=O)N1CCCN(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC1 96007210 CLRNIFANULLEFS-HNNXBMFYSA-N 355.435 1.286 0 40 FDAB CS(=O)(=O)c1ccc2nc(NC(=O)CCn3ccnc3)sc2c1 6086055 COJHLLDBGSJVME-UHFFFAOYSA-N 350.425 1.925 0 40 FDAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@H]1CCS(=O)(=O)C1 5021100 UZRMZKYMSGOIIB-NSHDSACASA-N 353.425 1.132 0 40 FDAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc(F)cc2)CN=3)c1 5093443 RZXBJHLVYGJDKX-YVLHZVERSA-N 369.421 1.941 0 40 FDAB COC(=O)c1cc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)oc1C 9337223 PQAGIEPKYYEDPL-VOTSOKGWSA-N 364.379 1.674 0 40 FDAB O=C(Cn1c(=O)c2ccc(Cl)cc2n2nncc12)NCc1ccco1 4569868 SSERVYVYMCNHEH-UHFFFAOYSA-N 357.757 1.607 0 40 FDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6719195 BYQNBLHTRQXNBC-RYUDHWBXSA-N 368.436 1.079 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@@H](C(=O)N2CC(F)(F)C2)C1 306141713 WELAOWFRZHRDBP-OAHLLOKOSA-N 362.380 1.926 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccco1)[C@H]1C(=O)c3ccccc3C1=N2 6816883 GLEJBHUUHOMJAH-UONOGXRCSA-N 361.357 1.756 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc3nnnn3n2)C1 95473750 BUIKJCBQYLJUQS-HNNXBMFYSA-N 351.414 1.394 0 40 FDAB COC(=O)Cn1c(SCC(=O)NCC(C)C)nc2ccccc2c1=O 7753522 JJTRDQXCBQFEJE-UHFFFAOYSA-N 363.439 1.434 0 40 FDAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccc(F)c(F)c1F 8036901 UJHHQGLZFPCHFA-UHFFFAOYSA-N 355.316 1.884 0 40 FDAB CCCOc1ccc(C(=O)CCC(=O)OCc2nc(N)nc(N)n2)cc1 17702981 GXCIQILOGSMLMM-UHFFFAOYSA-N 359.386 1.531 0 40 FDAB Cn1c(CNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)n[nH]c1=S 95461181 AHIVYNORTOHOFL-UHFFFAOYSA-N 374.470 1.723 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1N1CCOCC1 95436750 HRIHOZLZHPZXAW-MZMPZRCHSA-N 367.440 1.747 0 40 FDAB CC(C)(O)CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 84241146 IYLASUNAYOSFEK-UHFFFAOYSA-N 358.442 1.995 0 40 FDAB COCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)o1 97494297 HCUJBFARXXQKGY-UHFFFAOYSA-N 364.423 1.797 0 40 FDAB Cc1c(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)sc2ccc(F)cc12 95997878 KUCGVACVGDURGX-UHFFFAOYSA-N 359.386 1.736 0 40 FDAB CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(=O)CC 408696738 DYDYKXDKYZFXDC-GFCCVEGCSA-N 356.444 1.891 0 40 FDAB Cn1nncc1S(=O)(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 510390516 SQTCBRRQODJQNY-UHFFFAOYSA-N 365.434 1.170 0 40 FDAB O=C(c1csc(O)n1)N1CCN(C(=O)c2c(F)cccc2F)CC1 527159269 BYAXSZVVOUGLPC-UHFFFAOYSA-N 353.350 1.725 0 40 FDAB CN(C)CCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241355 OVKFNIVIJKGACK-HOTGVXAUSA-N 353.850 1.306 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217407002 QBSZYZIROSFZJF-UHFFFAOYSA-N 364.423 1.956 0 40 FDAB CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCOCC3)nc2N)cc1 71771662 LUVWLEOGSCPJEB-UHFFFAOYSA-N 362.455 1.852 0 40 FDAB COCCn1c(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)nc2ccccc2c1=O 32075027 QNWVSALUPZLZBE-QLFBSQMISA-N 353.422 1.985 0 40 FDAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339054 ZBWNBYKUNFBPOB-GIQLZXEWSA-N 357.454 1.619 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1 225114088 PIEPGPAYJLHXES-UHFFFAOYSA-N 354.457 1.654 0 40 FDAB CCCCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 224071116 MVLSHDDVTBMZCH-UHFFFAOYSA-N 354.428 1.817 0 40 FDAB Cc1nnc(N2CCOC[C@@]3(CCCN(CC4CCOCC4)C3)C2)o1 96049704 FVMIXBNFWCEADZ-GOSISDBHSA-N 350.463 1.723 0 40 FDAB NC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96201909 ALEBBGIMELWCNF-FXAWDEMLSA-N 350.422 1.978 0 40 FDAB CCNC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1 96296409 FSFITOVMZSRULS-ZDUSSCGKSA-N 358.398 1.539 0 40 FDAB biogenic,in-vitro Cc1cnc(C(=O)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cn1 96063787 OIRBUUUUACCHMH-DLBZAZTESA-N 353.426 1.296 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccnc1)C2 96230430 RNCJLGXZEMUBBW-HXUWFJFHSA-N 350.422 1.645 0 40 FDAB CC(=O)N1CCC[C@@H](CNC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 332950730 WYXATGQLQUEGLH-DZGCQCFKSA-N 365.455 1.073 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)cn1 96230286 YCHHRUPGRRXFOO-UHFFFAOYSA-N 356.470 1.549 0 40 FDAB CN(C)C(=O)CO[C@H]1CN(CCOCc2ccccc2)Cc2ccnn2C1 247967438 GVHRJBXJHCACLY-IBGZPJMESA-N 372.469 1.389 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 248319121 PSTXTNUXOQBKLG-ALKREAHSSA-N 359.426 1.800 0 40 FDAB Cc1ncsc1CN1CCn2cc(C(=O)N3CCOCC3)nc2[C@H]1C 248075119 ZIVLANJQFKAJLB-CYBMUJFWSA-N 361.471 1.697 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(CC1CCOCC1)C2 248119877 JSNIALGDSVMPMR-KRWDZBQOSA-N 361.486 1.663 0 40 FDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1 247954612 COLZPCVSBRVNTC-HNNXBMFYSA-N 364.396 1.651 0 40 FDAB CNc1cnc(C[C@@H]2CCCN(C(=O)CCCn3cncn3)CC2)cn1 257342564 ZPGCAIRMERZTDS-OAHLLOKOSA-N 357.462 1.761 0 40 FDAB Cc1nc(NC(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)sc1C 257265085 LXHKNYGNCADJKI-GOSISDBHSA-N 373.482 1.613 0 40 FDAB CNC(=O)c1cnn2c(C3CCN(C(=O)c4cccnc4)CC3)ccnc12 257240631 HUKJMIQXHPVNBH-UHFFFAOYSA-N 364.409 1.504 0 40 FDAB CC(C)n1ccnc1CN1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257327702 XCHSPEJVNLTJMT-LBPRGKRZSA-N 353.448 1.164 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3cncs3)n2)CC1 257338803 YZANXDIVIIUSHJ-UHFFFAOYSA-N 367.500 1.661 0 40 FDAB O=C(O)c1ccc(CN2CCN(CC(=O)N3CCCCCC3)CC2)cc1 263577798 RWJLTLAQMQTCBW-UHFFFAOYSA-N 359.470 1.905 0 40 FDAB CCn1cnnc1C1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 593416543 LZYOOJZHEOBTFW-UHFFFAOYSA-N 353.430 1.908 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CC[C@H](OCc3ccncc3)C2)c1C 284590191 HRXALBMTKZRDAC-INIZCTEOSA-N 364.471 1.895 0 40 FDAB Cc1ccc(CC2CN(C(=O)[C@](C)(O)Cn3c(C)cccc3=O)C2)cc1 618894843 NHOXWOOPTNLFMH-OAQYLSRUSA-N 354.450 1.917 0 40 FDAB C[C@@H]1O[C@H](C)[C@H](C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1C 637178855 QCNRMVMZRZAZPA-BCUIYNNISA-N 354.472 1.959 0 40 FDAB CCOC(=O)c1ncn2c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 642881959 LGDQOEPVCUQEKT-QWRGUYRKSA-N 364.402 1.211 0 40 FDAB O=C(NCc1ccc2c(n1)CCCC2)N1CCN(C[C@@H]2CCCO2)CC1 683717266 VNTMCRFYZHYFKP-SFHVURJKSA-N 358.486 1.967 0 40 FDAB CCCC[C@@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1289191141 DTGFFPGRDWRIGM-BRWVUGGUSA-N 369.550 1.869 0 40 FDAB O=C(N[C@H]1CCSC1=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828097 OQEBXQVLFQDMER-AWEZNQCLSA-N 354.435 1.728 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N(C)Cc2ccccn2)C1 585095741 HUNMJHHBNKIZJI-JLSDUUJJSA-N 367.453 1.866 0 40 FDAB CC1=C(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)C(=O)OC1(C)C 58392714 QBPPUEAPDIGUHR-UHFFFAOYSA-N 374.412 1.691 0 40 FDAB C[C@H]1CCc2c(sc3ncnc(N4CCCN(CC(N)=O)CC4)c23)C1 40155536 DQBWXWQUKCIVDL-LBPRGKRZSA-N 359.499 1.814 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(C(C)(C)C)no3)nc2n1 5282217 VFCBEUVIRJPLEX-UHFFFAOYSA-N 372.385 1.822 0 40 FDAB COc1ccc(C[C@@]2(C(=O)O)NCCc3cc(O)c(OC)cc32)cc1O 5439225 JATWXUFMSUAQOG-LJQANCHMSA-N 359.378 1.783 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691779 SYRPPKBGHHVDAO-NRUUGDAUSA-N 366.336 1.775 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12752303 VRDOBAYGBRLYDW-LLVKDONJSA-N 367.379 1.476 0 40 FDAB NC(=O)Cn1cc(CN2CCN(C[C@H]3CCCO3)CC2)c2ccccc21 19376113 MKSBGBNKPFAOST-QGZVFWFLSA-N 356.470 1.423 0 40 FDAB CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)[nH]c2=O)C1 19462936 NEMHGDKGTPQETL-BBRMVZONSA-N 358.486 1.898 0 40 FDAB CCc1nn(C)c(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c1C 19521011 FSZKNDCUTZCCFY-CQSZACIVSA-N 369.469 1.814 0 40 FDAB CCN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C1CCN(C)CC1 19666507 VLQYTCBNMKIOHX-UHFFFAOYSA-N 364.490 1.574 0 40 FDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnn2cc(C)cnc12 19748953 DLQKFJILGFJEIN-AWEZNQCLSA-N 359.430 1.185 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)N(CCO)C(C)C)CC2=O)cc1OC 4479765 MRVZHKUWATUXTO-ZDUSSCGKSA-N 365.430 1.221 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828771 UEIDZMHBDQNMHV-GJZGRUSLSA-N 354.476 1.649 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)[nH]1 1889145762 IQSANCPGFHSKJD-UHFFFAOYSA-N 367.461 1.020 0 40 FDAB Cc1nn(CCC(=O)NCCCN2CCOCC2)c(C)c1Br 22289121 QVJOBMASNURZLS-UHFFFAOYSA-N 373.295 1.491 0 40 FDAB COCCOC(=O)NC[C@H]1CCC2(CCN(c3ccncn3)CC2)CO1 1565552459 VFBVIUZSLYDRAM-OAHLLOKOSA-N 364.446 1.615 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1 4190506 SCFQJARPMPILHV-NWDGAFQWSA-N 356.831 1.832 0 40 FDAB COCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305651 DKLDVADUOWSJGT-MRXNPFEDSA-N 373.478 1.731 0 40 FDAB CN(C)c1nc(N)nc(Cn2cnc3sc4c(c3c2=O)CCCC4)n1 4511969 GKOBZPMPQKGGDJ-UHFFFAOYSA-N 357.443 1.218 0 40 FDAB COc1cccc(CCNC(=O)c2c(O)nc3scc(C)n3c2=O)c1 10166736 IIBHSDLVRZVBDL-UHFFFAOYSA-N 359.407 1.751 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)COc3ccccc3F)cnc21 10250886 GDPDBXCATUEDCM-UHFFFAOYSA-N 359.361 1.636 0 40 FDAB Cc1ccc(C(=O)NC[C@@H]2Cc3c(C(=O)NC4CCCC4)n[nH]c3CO2)o1 2055759424 YOFSFROWZWQPPQ-ZDUSSCGKSA-N 372.425 1.855 0 40 FDAB CS(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 21683051 QSIOWBPUFRFCKG-UHFFFAOYSA-N 353.444 1.094 0 40 FDAB CCc1ccc(N2C(=O)CN([C@H](C)CC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773651 UIHCRFRSJVGAJH-XOKHGSTOSA-N 350.484 1.862 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCC(=O)c1c[nH]c2ccccc12 102362121 SWSLBSRRZKBUPE-OKILXGFUSA-N 366.373 1.845 0 40 FDAB COC(=O)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 32990275 GNZSDAQFKHEMRE-OAHLLOKOSA-N 356.378 1.526 0 40 FDAB O=C(N1CCOCC1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 22548310 KRHHLFGVXMKTLD-UHFFFAOYSA-N 355.442 1.442 0 40 FDAB CS(=O)(=O)N1CCCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 23042703 JLSKYBOQKRSGNC-UHFFFAOYSA-N 373.529 1.594 0 40 FDAB CCN(CC)C(=O)CSc1nnc(SCCc2ccccn2)n1N 23138691 OZLDEWXNVWEVKZ-UHFFFAOYSA-N 366.516 1.682 0 40 FDAB CC(=O)Nc1ccc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc1 104548770 HJLCDCOLINIOFV-VJTUXUFQSA-N 365.414 1.282 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 3315907 JTBFUVKUAPTKNO-UHFFFAOYSA-N 367.155 1.937 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(C(=O)OCC)cc1 4992851 CAHSKZKVQURULN-CQSZACIVSA-N 374.393 1.775 0 40 FDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCCc1ccccc1 6823634 FXZQCSJEIWBTEC-UHFFFAOYSA-N 363.464 1.894 0 40 FDAB C[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCO1 24044871 STRCSUXJIPVQQK-NSHDSACASA-N 369.347 1.945 0 40 FDAB O=C(Cc1ccsc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 24244991 JFDJPHXTQACFIK-UHFFFAOYSA-N 374.491 1.704 0 40 FDAB O=C(NC[C@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1)C1CC1 107430255 ZEXXAFNOQFJZEM-YWVIFJGQSA-N 374.359 1.507 0 40 FDAB biogenic,in-vitro O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 8991783 SLQWXJQKYYVJQW-UHFFFAOYSA-N 361.365 1.070 0 40 FDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H]1CCCCC1=O 25229520 JXFRXIAPADOZKB-LBPRGKRZSA-N 365.382 1.155 0 40 FDAB C[C@H]1CCCN(CCCNC(=O)[C@H](C)N(C)c2nccn3cnnc23)C1 107533391 LYXKPEYCWSHLCJ-GJZGRUSLSA-N 359.478 1.187 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCCCO2 57449231 SHCOLDCSOGOZDE-UHFFFAOYSA-N 369.425 1.399 0 40 FDAB Cc1cc(C)n(C(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)n1 57478033 LYCWNCBOPZJWNC-UHFFFAOYSA-N 353.382 1.757 0 40 FDAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 48236987 VVKKHFATUFYRDL-CYBMUJFWSA-N 361.471 1.552 0 40 FDAB CCOc1nnc(CSc2nnc(-c3ccco3)n2CC(N)=O)s1 58209081 JJOTXVGFWSJOPN-UHFFFAOYSA-N 366.428 1.566 0 40 FDAB O=C1CCCN1C[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1Cl 2154276 OTZXEXLVKDHHQU-LBPRGKRZSA-N 366.266 1.892 0 40 FDAB CCOc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)no2)cc1 27749916 QHAZHAZTRBJGDB-LBPRGKRZSA-N 350.396 1.657 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2C)CCO1 10616939 SYYZGTYSXPHIJV-NSHDSACASA-N 350.419 1.961 0 40 FDAB O=C(c1ccoc1)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 48365768 GVMUSWDELFRETR-UHFFFAOYSA-N 357.197 1.559 0 40 FDAB CN(C)c1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cn1 22420547 SPOJHQJWFASJQT-UHFFFAOYSA-N 359.430 1.731 0 40 FDAB O=C(NCCCN1CCOCC1)c1ccc(I)cc1 19537215 DJLVOJVBWHCXCH-UHFFFAOYSA-N 374.222 1.743 0 40 FDAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)ncn1 306133195 METLCCQLRDTBKT-RBSFLKMASA-N 373.482 1.485 0 40 FDAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 65607208 XSYWDQWXBYZLCO-HZYUJGRASA-N 357.410 1.472 0 40 FDAB COc1ccc(NC(=S)N2CCC(C(=O)N3CCOCC3)CC2)cc1 4622949 UOAVIUFKQBFDMP-UHFFFAOYSA-N 363.483 1.963 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229629 XHWDGPOLVASTCC-HNNXBMFYSA-N 370.471 1.309 0 40 FDAB COC(=O)Cc1cc(O)nc(S[C@H](C)C(=O)NC2CCCCC2)n1 7029646 DRWUVMIWSQFWPS-SNVBAGLBSA-N 353.444 1.827 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 15713926 MRNAXYNAYNRDOL-CABCVRRESA-N 367.467 1.884 0 40 FDAB CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)NC(C)C)c(C)n2n1 7709881 JTCYDDIPWXXZDP-NSHDSACASA-N 365.459 1.462 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 68533535 UBYBDLVNQLMTEX-OCCSQVGLSA-N 357.435 1.788 0 40 FDAB NS(=O)(=O)c1cnn(CCC(F)(F)F)c1I 408717740 RBNUKCYTIHXBTJ-UHFFFAOYSA-N 369.106 1.088 0 40 FDAB CNC(=O)CN(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8267205 OSNBOAUXWPMYRB-UHFFFAOYSA-N 373.482 1.500 0 40 FDAB 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359.348 1.735 0 40 FDAB C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1nnnn1C1CC1 36396309 ZRAGLDLYTKOGEJ-LLVKDONJSA-N 355.464 1.008 0 40 FDAB COC(=O)c1sc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)c(C(=O)OC)c1C 6084227 JCWRKABRZHHNKZ-VXNVDRBHSA-N 369.395 1.767 0 40 FDAB Cc1nn(C)cc1NC(=O)CN1CCC[C@](O)(COc2ccccc2)CC1 2037916120 PDLVYYHSLHNZJH-HXUWFJFHSA-N 372.469 1.963 0 40 FDAB O=C(NC1CCCCC1)[C@@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 2056225592 SQLDUVLQENNQCL-MAUKXSAKSA-N 365.499 1.952 0 40 FDAB Cc1cc(C)nc(N2CCO[C@@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226629 WOQWHVWNIGFRIE-FXAWDEMLSA-N 374.485 1.907 0 40 FDAB COC(=O)C1=C(CSc2ncnn2C)NC(=O)N[C@@H]1c1ccc(C)cc1 5018404 GZVYEUKAJLDKTO-CQSZACIVSA-N 373.438 1.697 0 40 FDAB COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccco3)o2)cc1 10219385 RUEKWEWKFZMPJC-UHFFFAOYSA-N 363.351 1.751 0 40 FDAB COc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(OC)n1 11765462 GLJNOQKFGJLMGV-UHFFFAOYSA-N 364.427 1.005 0 40 FDAB O=C(Cc1ccc(F)cc1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732566 OWOYVLYMKALAPG-INIZCTEOSA-N 373.428 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Nc1cccc2c1C(=O)N(C(=O)[C@@H]1CCCN1C(=O)c1cccs1)C2=O 6550398 DTQDTHVRQZFYKL-LBPRGKRZSA-N 369.402 1.758 0 40 FDAB CN(CCO)[C@H]1CCc2c(c(C(=O)NCc3ccccc3F)nn2C)C1 14749563 AQIPUQRRAFJCAC-AWEZNQCLSA-N 360.433 1.271 0 40 FDAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 6886404 YNOLGBXIAWJFLC-MUBLQREKSA-N 357.815 1.200 0 40 FDAB COC(=O)CNC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 9336810 DXWKJQZDOXQERR-UHFFFAOYSA-N 370.431 1.671 0 40 FDAB COc1ccc(CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 15842459 UNEBFNUPJMDQFC-UHFFFAOYSA-N 374.418 1.692 0 40 FDAB CN(CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C)S(C)(=O)=O 68004720 INHKEPUXEZQZDO-CQSZACIVSA-N 350.444 1.128 0 40 FDAB O=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12 7667407 GFNLQZCNAZEYRX-UHFFFAOYSA-N 351.815 1.454 0 40 FDAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 69086921 KBUUZSMTMCZRRH-JTQLQIEISA-N 363.395 1.900 0 40 FDAB COC(=O)c1sc(NC(=S)Nn2cnnc2)c(C(=O)OC)c1C 17073446 FAHCYXLTDFHALH-UHFFFAOYSA-N 355.401 1.162 0 40 FDAB O=C(NCC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 72297774 NSFJWISSRMAYEN-UHFFFAOYSA-N 351.346 1.375 0 40 FDAB COc1ccc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)c(OC)c1 9638748 WYVJIDCFGHWSTR-UHFFFAOYSA-N 363.414 1.113 0 40 FDAB C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 95453218 VLEVXCGSRSDNPX-LBPRGKRZSA-N 358.435 1.277 0 40 FDAB Cc1ccc(CC(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)cn1 95998236 NFTJYKNCQFXTLB-SFHVURJKSA-N 358.486 1.476 0 40 FDAB Cc1nn(CC(=O)N2CCN(c3nccs3)CC2)c(=O)c2ccccc12 21342551 LJWQAEPTSAIIDX-UHFFFAOYSA-N 369.450 1.510 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 408589344 FBURQMMWEBGXEH-CYBMUJFWSA-N 358.460 1.151 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1 23642359 YMDZYWIJTZCRJD-UHFFFAOYSA-N 350.843 1.868 0 40 FDAB Cc1nccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 302142494 FSKRILLGXJJOAW-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB COc1ccc(C2(CNC(=O)c3ccnc4[nH]nnc34)CCOCC2)cc1 550139991 OUBKYEBVIOGCAQ-UHFFFAOYSA-N 367.409 1.840 0 40 FDAB CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C3CCC3)CC2)c1 558062051 AAGQMNPWFFUQFF-UHFFFAOYSA-N 365.499 1.637 0 40 FDAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2S(C)(=O)=O)nc1C 72345482 YLFZFDVCTIGKPI-CQSZACIVSA-N 354.476 1.754 0 40 FDAB COCC(=O)N(C)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 566099699 QDWCKGIJKKJWAI-OAHLLOKOSA-N 365.499 1.324 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccnc1)c1cn(C)c2ccccc12 75149242 JTRIVXMYOPJFDS-GOSISDBHSA-N 365.437 1.931 0 40 FDAB Cn1cccc1[C@@H](O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 75155133 LNSGTPQOFPUONJ-ZDUSSCGKSA-N 364.345 1.936 0 40 FDAB CC(C)C[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCOCC1 48290505 KZIYSLRMGGFZKN-INIZCTEOSA-N 372.469 1.260 0 40 FDAB Cc1nc(C)n(C2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)n1 328797929 WFRXCFBKIKRNHL-MRXNPFEDSA-N 353.426 1.327 0 40 FDAB Cc1ccc(-n2cnc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)cc1 227116380 KLFLSLDWHWLBJQ-SFHVURJKSA-N 368.437 1.644 0 40 FDAB CC(=O)Nc1nc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cs1 40050498 ROVKOXYNMKHORV-UHFFFAOYSA-N 358.379 1.593 0 40 FDAB Cc1nnc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)s1 77100461 HXYSDOJSVAWUNH-UHFFFAOYSA-N 371.304 1.973 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H]1c1cncn1C 583621185 PAQZFMQKOCDUJC-DOTOQJQBSA-N 355.442 1.332 0 40 FDAB Cc1nc(C2CC2)ccc1C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 578128384 JSIINTRXQIBWIX-SFHVURJKSA-N 356.470 1.692 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(CC4CCOCC4)C3)C2)cn1 96225969 CYAKDWWTDXWSEK-IBGZPJMESA-N 373.457 1.049 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@](O)(C(F)(F)F)C1 332491839 XYAJTSQWVFUBPW-INIZCTEOSA-N 369.343 1.702 0 40 FDAB Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 96116552 UPPYPCFGUJMKCG-INIZCTEOSA-N 354.410 1.195 0 40 FDAB biogenic CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccc(C)o1)C2 96050192 BFOSYRNDFVCVED-FQEVSTJZSA-N 368.437 1.823 0 40 FDAB COc1ccc(C(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3C)cc1 96251522 QXAQAIUHLNVTDO-JKSUJKDBSA-N 352.456 1.029 0 40 FDAB c1cc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)cs1 96052353 GADBELFIJSVHHF-MSOLQXFVSA-N 352.500 1.830 0 40 FDAB CC(C)CS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccncc2)C1 248169863 RHXOSDHCCAXPKR-RDJZCZTQSA-N 351.472 1.396 0 40 FDAB CS(=O)(=O)CC(=O)N1Cc2cncn2[C@H](COCC2CCCC2)C1 247536399 QSTLMADXDGPLAB-HNNXBMFYSA-N 355.460 1.018 0 40 FDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)C2CCOCC2)C3)nc1 253600682 VUZGOCVWCSXHSS-MRXNPFEDSA-N 360.458 1.631 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(Cc4cnccn4)C3)ccnc12 257208088 BKRDUTXZSNIIKC-CQSZACIVSA-N 365.441 1.601 0 40 FDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)CC1 257253972 KBBCDKKFCJWYTH-OAHLLOKOSA-N 359.474 1.489 0 40 FDAB CCn1cc(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257305428 SPYOZVZCFZZZME-CYBMUJFWSA-N 351.476 1.484 0 40 FDAB O=C(O)[C@@H]1CC12CCN(C(=O)C1CCN(C(=O)N3CCCC3)CC1)CC2 262373271 MEUSAOKSVBIBBK-HNNXBMFYSA-N 363.458 1.628 0 40 FDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@]2(C(=O)O)CC=CCC2)CC1 653306697 UEQJBIPYQRAVNJ-YJYMSZOUSA-N 374.441 1.963 0 40 FDAB O=C(CN1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1)N1CCCCCC1 684368371 GEUFUIRVEMSHET-IBGZPJMESA-N 373.497 1.137 0 40 FDAB COCCNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 575404368 NFTQLFRQDNZUSZ-KRWDZBQOSA-N 367.409 1.324 0 40 FDAB O=C1CCCN1c1cc(CNS(=O)(=O)c2ccc3c(c2)CCO3)ccn1 575609362 WTVSRHVSYWMGBC-UHFFFAOYSA-N 373.434 1.622 0 40 FDAB CO[C@H]1CCCN(C(=O)Cn2cccnc2=O)[C@H]1Cc1ccc(F)cc1 585275406 AKUQQRXGBNXEGL-IRXDYDNUSA-N 359.401 1.631 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1 585095506 UMXIHOGYUHPWEN-MRXNPFEDSA-N 355.504 1.286 0 40 FDAB O=C(C1CC(O)C1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110436 VONMFVQHEZSHPG-UHFFFAOYSA-N 355.442 1.381 0 40 FDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)N(C)Cc2ccccn2)C1 585095756 IRQXVEIOTCLYNU-KRWDZBQOSA-N 355.442 1.866 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@H]1CS[C@]2(C)CSCC(=O)N12 40149020 OPIBDZDLGKJVFG-RHSMWYFYSA-N 366.508 1.931 0 40 FDAB Cc1cn2nc(C(=O)NCc3ccncc3)cc2c(N2CCSCC2)n1 169768857 KYLIXUNOUKGKKA-UHFFFAOYSA-N 368.466 1.916 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615123447 RLMBMBRGTDZULT-IBGZPJMESA-N 354.410 1.458 0 40 FDAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCCCC1 1615143436 MGLLQTJTILJHBX-IBGZPJMESA-N 353.434 1.963 0 40 FDAB CCOCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 5077985 XVUJXYGVJAFULR-UHFFFAOYSA-N 369.830 1.929 0 40 FDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C(C)C 12238885 ZBJUNJHOUVOORR-CYBMUJFWSA-N 367.471 1.938 0 40 FDAB C[C@@H]1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)C[C@@H](C)O1 12417910 JNTXCEKLJNFOJF-GHMZBOCLSA-N 356.386 1.304 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)Cc4cccs4)CC3)ncnc21 13533395 WJRDTWARXUPGMV-UHFFFAOYSA-N 357.443 1.194 0 40 FDAB C[C@@H]1CN2c3ccccc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]2[C@@H](C)O1 13592971 CFIFAECYAJHWBB-JMSVASOKSA-N 373.478 1.427 0 40 FDAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 19618913 XDXDWIYTSRTXTM-UHFFFAOYSA-N 362.879 1.346 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 19716404 FECQQRIVPMEIKY-GOSISDBHSA-N 363.421 1.986 0 40 FDAB CN(C)C[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 19749819 HTUYHBSLFQYHKK-HNNXBMFYSA-N 370.457 1.331 0 40 FDAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N(C)C 19754262 ZSNFJDOKVODUPE-MRXNPFEDSA-N 359.474 1.636 0 40 FDAB COC(=O)/C=C(\C(=O)OC)[C@@H]1C(=O)Oc2c(C)c(=O)c3ccccc3n21 5551955 PKEJVWJQGRSKNY-KOTGUFOOSA-N 357.318 1.042 0 40 FDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccccc1 5928675 IGTYPVBYMJLICC-UHFFFAOYSA-N 352.350 1.746 0 40 FDAB Cc1nn(C)cc1CN1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037981149 WXLQOQPXHAVUNR-ZHALLVOQSA-N 358.417 1.351 0 40 FDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(COC1=O)N2 4495980 YEBVVVRTYZWGNW-CYBMUJFWSA-N 353.378 1.705 0 40 FDAB CCCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5340070 OCPVDRIPQZINLN-UHFFFAOYSA-N 359.835 1.345 0 40 FDAB O=C(Cn1cccn1)N1CC[C@H](Oc2ncc(Br)cn2)C1 618254213 QHRAXMRGGTWKAU-NSHDSACASA-N 352.192 1.116 0 40 FDAB Cc1ccccc1N1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 103025888 RWZHCBDPQZGZII-CALCHBBNSA-N 369.465 1.819 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 40073782 DKODNWDGHPZQAT-CYBMUJFWSA-N 350.415 1.586 0 40 FDAB COc1ccc2cc(CNC(=O)[C@@H]3CCCN3S(N)(=O)=O)ccc2c1 40118674 ZYLWNOLLNLKCIC-INIZCTEOSA-N 363.439 1.133 0 40 FDAB O=C(Cc1ccccc1)Nc1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 100210572 OYPBQBIDUZYEKM-CHWSQXEVSA-N 354.366 1.930 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)cc1 32104862 KCXCGOVRKVGNJZ-ZDUSSCGKSA-N 352.398 1.988 0 40 FDAB O=C(Cn1ccc2ccc(Br)cc21)N[C@@H]1C=CS(=O)(=O)C1 20719256 IYCXFMBUICGUJR-GFCCVEGCSA-N 369.240 1.831 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102246169 BEFORCFFPINKCM-IMIFBBOLSA-N 362.430 1.728 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(Cc2ccccc2)nn1 32894849 CMTIUXXPCAHCPM-UHFFFAOYSA-N 374.404 1.835 0 40 FDAB O=C(c1ccccc1OCc1cc(=O)n2ccsc2n1)N1CCOCC1 32883586 BXPBRKTWRQNMHQ-UHFFFAOYSA-N 371.418 1.807 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccc(C)cc2)CC1 32912687 QZTKTTPLQXVSFE-UHFFFAOYSA-N 353.488 1.998 0 40 FDAB O=C(c1ccco1)N1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 102905116 MUROZOWUWOZWFN-INIZCTEOSA-N 367.405 1.365 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1 538156 WPKPLSFHHBBLRY-UHFFFAOYSA-N 364.449 1.902 0 40 FDAB in-man CCn1c(=O)c2c(nc(SCC(=O)c3ccc(C)cc3)n2C)n(C)c1=O 887121 DHARRGLWHUDEPO-UHFFFAOYSA-N 372.450 1.737 0 40 FDAB CCCn1nc(C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)ccc1=O 22898461 WBKMBTMXZWVXKS-KRWDZBQOSA-N 364.490 1.520 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccnc1 22959800 MMPCUHDBBTZKCY-KRWDZBQOSA-N 359.451 1.474 0 40 FDAB CCC(C)(C)NC(=O)COC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 78999451 XVZNGXYMKKFNPR-HNNXBMFYSA-N 361.442 1.924 0 40 FDAB CC(C)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 1566407 HFOPEKGPORHVAN-UHFFFAOYSA-N 352.504 1.787 0 40 FDAB in-vitro CCOC(=O)C(=O)SC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1626953 UKXXBHVSRTZOMT-NSHDSACASA-N 355.368 1.189 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23227935 XVPRKFHFSNQACK-ZDUSSCGKSA-N 363.433 1.942 0 40 FDAB CO[C@@H]1OC[C@@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 4921511 LWCGYKKLRQFMNP-WOCWXWTJSA-N 372.373 1.801 0 40 FDAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 7560457 INPAXQYFAOYVLB-IBGZPJMESA-N 373.409 1.327 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)CCc2nnc(-c3ccccc3)o2)n1 25065017 GPYYKQYWULYRJD-UHFFFAOYSA-N 369.385 1.246 0 40 FDAB CN(CC(=O)N[C@@H]1COc2ccccc2C1)S(=O)(=O)c1ccccc1 53046208 YHHJHPBRPYMULM-HNNXBMFYSA-N 360.435 1.427 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57426494 ZOJGCASAZDGZQL-CYBMUJFWSA-N 355.419 1.565 0 40 FDAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccco2)cc1 9926920 FKKCFFXAOVDPQH-OAHLLOKOSA-N 371.393 1.648 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58167142 NJPHFSCNJMSMNM-GFCCVEGCSA-N 369.429 1.807 0 40 FDAB Cc1csc(N2CCCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)n1 58225174 NYLZRWQPGKDDQZ-UHFFFAOYSA-N 365.503 1.684 0 40 FDAB CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCNC(=O)C1 44959908 USOSTHGZWLNOBA-AWEZNQCLSA-N 355.232 1.811 0 40 FDAB NC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccccc2Cl)CC1 12771567 CYSQOEARBBXOFJ-UHFFFAOYSA-N 358.847 1.228 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2ccccc2C(=O)O)C1=O 12785723 PTIDUNZAPXMXFB-HNNXBMFYSA-N 351.384 1.229 0 40 FDAB O=C1COc2ccc(C(=O)COC(=O)c3ccc4c(c3)OCO4)cc2N1 3351843 ZPTWVBRHRDQJRA-UHFFFAOYSA-N 355.302 1.786 0 40 FDAB CC1(C)CC(NC(=O)c2ccccc2CN2C(=O)CNC2=O)CC(C)(C)N1 21473028 AHLUGDBPWRHUTI-UHFFFAOYSA-N 372.469 1.777 0 40 FDAB O=C(OCCOc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 11337273 YRZADWRABMNANX-UHFFFAOYSA-N 354.362 1.974 0 40 FDAB CCOC(=O)c1ccc(O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 11672484 KSRVTFXHMOHZQN-JSGCOSHPSA-N 369.439 1.276 0 40 FDAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 12892297 MKYQSVBYTPTOKE-LLVKDONJSA-N 374.422 1.454 0 40 FDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)no1 46155085 YRAXZPZQRPEBAP-SWLSCSKDSA-N 364.423 1.926 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 23249024 OPQVCSAOCUTKPL-UHFFFAOYSA-N 366.465 1.850 0 40 FDAB O=Cc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O 2648377 VKKBYUFPWVKCRL-UHFFFAOYSA-N 350.363 1.634 0 40 FDAB CC(C)C(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 23326614 SVSVNIFAEGCTTF-INIZCTEOSA-N 371.437 1.509 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 12990253 PFXNUGOOXFUXJF-CYBMUJFWSA-N 368.437 1.673 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 9042488 IVKMRYXHUMBJMH-UHFFFAOYSA-N 353.334 1.115 0 40 FDAB biogenic O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc([C@H]2CCCO2)s1 71284108 PAPHJGMMHGJBME-GFCCVEGCSA-N 373.394 1.845 0 40 FDAB CCOC(=O)c1[nH]c(=O)[nH]c1CSC1=NC(=O)CN1c1ccccc1 9190177 QEGBFIWCEZXEHA-UHFFFAOYSA-N 360.395 1.516 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cnccn1 5045603 SPNVRCWBAVVQFP-UHFFFAOYSA-N 361.408 1.986 0 40 FDAB CCN1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 5210232 XYEHQSVLBSMXIA-UHFFFAOYSA-N 358.833 1.904 0 40 FDAB Cc1csc(CC(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)n1 14067989 RKIKMMXAJVXUEQ-UHFFFAOYSA-N 373.438 1.981 0 40 FDAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(N)(=O)=O 14020550 JLIHXXRUQSBNQY-UHFFFAOYSA-N 373.434 1.787 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 14164813 JNUCLJGYNRXOPF-DYZYQPBXSA-N 353.369 1.893 0 40 FDAB Cc1cc(S(=O)(=O)[C@@H](CNS(C)(=O)=O)c2cccnc2)ccc1F 19797334 XWHBQPTWCQYSTO-HNNXBMFYSA-N 372.443 1.593 0 40 FDAB Cc1cnc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cn1 6946750 SVJFQJJWNLIRDI-UHFFFAOYSA-N 372.337 1.061 0 40 FDAB CCOc1ccc(Br)cc1C(=O)Nc1c[nH]c(=O)[nH]c1=O 4941730 KRQZEWRJSCYPBH-UHFFFAOYSA-N 354.160 1.477 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 4995904 ARQFAHROXXXLTA-IBGZPJMESA-N 371.393 1.477 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc2ncccc12 15760272 ISAMLMRNMUMFMG-UHFFFAOYSA-N 366.402 1.912 0 40 FDAB Cc1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 7442464 NVEFPVDVQBIZLD-UHFFFAOYSA-N 368.509 1.985 0 40 FDAB Cn1cccc1[C@@H]1CCCN1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 7854551 SOKDKIAPGXSXMZ-HNNXBMFYSA-N 373.457 1.448 0 40 FDAB CC(=O)Nc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 16751392 JKUOPIOAUIJOJE-UHFFFAOYSA-N 368.802 1.744 0 40 FDAB Nc1nc(N)nc(COC(=O)c2ccccc2OCc2ccccc2)n1 8278751 RVEWDZLIKKWLRM-UHFFFAOYSA-N 351.366 1.972 0 40 FDAB O=C(O)c1cc(-c2cccnc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8395184 ZHDOBQIGPFDNTP-UHFFFAOYSA-N 374.356 1.893 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCc2ccccc21 8429471 HWRAKOMRIRSZEK-UHFFFAOYSA-N 355.419 1.705 0 40 FDAB CCCNC(=O)CN(C)C(=O)CCCn1cnc2c(C)cccc2c1=O 8767453 XHMPWZYKUBPPLE-UHFFFAOYSA-N 358.442 1.470 0 40 FDAB Cc1cc(C)c2c(OCC(=O)Nc3nc(C(N)=O)cs3)nn(C)c2n1 72288282 YDZCYKPOUBUWDN-UHFFFAOYSA-N 360.399 1.158 0 40 FDAB Cc1noc(C)c1CNS(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 89529386 IEPWFYPZEPRESC-MRXNPFEDSA-N 351.428 1.699 0 40 FDAB O=C1N[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)Nc2ccccc21 20244077 JSFFHZUKWOQEHL-IBGZPJMESA-N 367.405 1.778 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COc1ncccc1F)CCS2(=O)=O 306134549 NRHRNHCNUUXBAW-AGIUHOORSA-N 368.430 1.271 0 40 FDAB COc1ccc(-n2c(O)nc3nc(N4CCCCC4)ncc3c2=O)cc1 67264211 JZEGMGUNEFGYNW-UHFFFAOYSA-N 353.382 1.880 0 40 FDAB COCc1nnc(NC(=O)c2cnc3sc4c(n3c2=O)CCC4)s1 61718720 OKPKTWDZAJPKNC-UHFFFAOYSA-N 363.424 1.495 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(Br)s1 38283230 IMTRELFNGHKADW-UHFFFAOYSA-N 369.306 1.511 0 40 FDAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217511588 NLHYPCCTBZXDSJ-UHFFFAOYSA-N 374.459 1.273 0 40 FDAB COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 35648663 DHYZADFQRGGDGA-VUUNSECVSA-N 367.404 1.120 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1 36182683 KZOCAFDGIZOVIR-UHFFFAOYSA-N 360.848 1.671 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)CC2)c1C 225675758 IGDJUVKHKVQMQL-MLHJIOFPSA-N 356.422 1.606 0 40 FDAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(C(=O)c1ccnnc1)CC2 96254172 CPHQCJBXSDPMAR-UHFFFAOYSA-N 353.430 1.860 0 40 FDAB O=C(Nc1nc[nH]n1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95479348 DBNGHRPAMNCIOF-UHFFFAOYSA-N 355.807 1.640 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)cn1 96237744 XJKLORZSPSPFNC-OAQYLSRUSA-N 364.449 1.953 0 40 FDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)NCc1ccccc1)CC2 96228038 TWSBWPDOCFHJDB-UHFFFAOYSA-N 358.486 1.915 0 40 FDAB COCCN1C(=O)C2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96052517 FXCHHUMEULZTTJ-UHFFFAOYSA-N 366.421 1.644 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(C(=O)Cc2cccs2)Cc2cncn21 247551691 WBFRPTVNWRKMPI-LBPRGKRZSA-N 368.484 1.010 0 40 FDAB Cc1cc(C[C@H]2COCCN(C(=O)c3ccc(C)n(C)c3=O)C2)ncn1 257293474 QPOOWLRRVIFOSN-OAHLLOKOSA-N 356.426 1.123 0 40 FDAB COc1ccc(OCC(=O)N2CCOC[C@H]2CCc2cnccn2)cc1 257245958 IRVUXIWCCPYKQM-MRXNPFEDSA-N 357.410 1.724 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)no1 257309811 UCLRVORUVYWCDC-LBPRGKRZSA-N 368.397 1.357 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 683336481 NNNGJPKVTDDJCQ-NSHDSACASA-N 360.501 1.354 0 40 FDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 575403935 LAELBASCDBSBLZ-QAPCUYQASA-N 370.449 1.620 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109433 OVWFVGYWLIWSPH-SQNIBIBYSA-N 358.438 1.459 0 40 FDAB COCCN1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104786 TUNTUWKMWPABOB-OAHLLOKOSA-N 374.363 1.197 0 40 FDAB C/C=C(\C)C(=O)N1CCC[C@H]2CN(C(=O)c3cncc(OC)n3)CC[C@@H]21 1775993359 YZAAJEDOCMUQRR-VDRXTWLYSA-N 358.442 1.905 0 40 FDAB O=S(=O)(C1CC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009184 XIOKBBAYYMVTLS-UHFFFAOYSA-N 351.350 1.831 0 40 FDAB CC[C@@]1(c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)CCC(=O)NC1=O 54198538 XUWQTCKCBPFROM-FQEVSTJZSA-N 367.405 1.722 0 40 FDAB CCN1OC2(CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1=O 1549161279 GINDMGPTJPIKEK-UHFFFAOYSA-N 360.382 1.672 0 40 FDAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 17316817 FQADUXDRHGYSMU-UHFFFAOYSA-N 358.423 1.429 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063732 INEYOJMSAVEMGI-ZDUSSCGKSA-N 366.801 1.777 0 40 FDAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cncn1C)CC3 19291840 MNSKDJDLGINSNP-UHFFFAOYSA-N 369.425 1.206 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2cn(C)nc2C)[C@H](C)C1=O 19658836 NJRHWEBGVKRNOY-CQSZACIVSA-N 371.441 1.413 0 40 FDAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccccn1)C2 19711348 OAEDVUHKCNFIBA-UHFFFAOYSA-N 366.469 1.921 0 40 FDAB CN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1ccoc1 618446168 AOYBLZGWZSCQSX-MRXNPFEDSA-N 354.472 1.670 0 40 FDAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941071 ZMEWPTLWZZXQOI-OCCSQVGLSA-N 368.455 1.643 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585955 HQBINAGXLGOTAC-WIBUTAKZSA-N 353.422 1.658 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)c1C 575608013 XJWHUGQGMTXCSU-UHFFFAOYSA-N 351.476 1.822 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 3493121 FFGQWGDLCLWTGE-MRVPVSSYSA-N 354.823 1.642 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4c(C)noc4C)C[C@@H]3C2)n1 1888860028 RHQQWZIKBNZNDF-KBPBESRZSA-N 363.443 1.147 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3C2)cc1=O 1888865726 PESCYKBPXFDGKZ-STQMWFEESA-N 355.398 1.086 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888876475 WVNSFOLXGXPFMG-XUWXXGDYSA-N 364.421 1.985 0 40 FDAB CCc1cc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)ncn1 1888890337 INHGAOPZTZIVLG-UHFFFAOYSA-N 350.430 1.650 0 40 FDAB Cn1cnc(C(=O)N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)c1 1888890963 XHNORJDJAZMXOL-GFCCVEGCSA-N 367.413 1.276 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3c(C)noc3C)CC2)n1 1889098645 CKWXEPWIYJQFAV-UHFFFAOYSA-N 372.473 1.549 0 40 FDAB O[C@H]1CCN(Cc2cc[nH]n2)c2ccccc2OCCCCOC[C@H]1O 2037972627 KFCLZDGSWBOBEE-ZWKOTPCHSA-N 361.442 1.717 0 40 FDAB Cc1cc(C)nc(N2CCO[C@@]3(CO[C@@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226632 WOQWHVWNIGFRIE-YLJYHZDGSA-N 374.485 1.907 0 40 FDAB Cc1noc([C@H]2CCC3(CCN(C(=O)Cn4ccccc4=O)CC3)O2)n1 1614947524 ZISKIXCKXXPEMQ-CQSZACIVSA-N 358.398 1.453 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5cc(C)ncn5)C[C@@H]4C3)ncnc21 2087026225 WFJYTKZJVVLQFZ-ZIAGYGMSSA-N 350.430 1.517 0 40 FDAB Cc1nc2ccc(N3CCN(c4ccc5nnc(C)n5n4)CC3)nn2c1C 2087048803 XVRJIWUJSPEEHE-UHFFFAOYSA-N 363.429 1.419 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O 1565551277 NZKLTQPKSDUJMM-HNAYVOBHSA-N 364.392 1.885 0 40 FDAB COc1cc(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)on1 1565552051 ZNZJMKUUOPLGFZ-UHFFFAOYSA-N 356.382 1.503 0 40 FDAB COc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1 4338845 KOBRRVCAZDFVSO-UHFFFAOYSA-N 363.424 1.594 0 40 FDAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 4504528 KBQGCOGODXAGLW-LBPRGKRZSA-N 357.428 1.362 0 40 FDAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941695 QNNPOWHUCHCYPR-UHFFFAOYSA-N 364.402 1.459 0 40 FDAB Cn1c(=O)c2c(SCC(=O)Nc3ccccc3)ccnc2n(C)c1=O 4942165 YMQBYCSILGUNTM-UHFFFAOYSA-N 356.407 1.363 0 40 FDAB Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(=O)n(C)c1 16849524 RYOAUTXKBOXMST-UHFFFAOYSA-N 362.440 1.368 0 40 FDAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1 2055713202 DZTSJWLXEUPHHD-ZDUSSCGKSA-N 370.438 1.256 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)[C@@]2(CCN(C)C2=O)C1 2055796059 QUPARHXEFFSPAB-FQEVSTJZSA-N 373.501 1.452 0 40 FDAB O=C(c1ccco1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148523 RHFVNIRUMSUVGC-UHFFFAOYSA-N 359.304 1.711 0 40 FDAB COc1nc(OC)nc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298200122 UFBRNWDXALDRQB-LLVKDONJSA-N 371.388 1.363 0 40 FDAB C[C@H]1CCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c2C1 20477967 LRXRJCKEVIFXLW-LBPRGKRZSA-N 372.498 1.578 0 40 FDAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 32090656 OWMLZHJZWTVVKI-CQSZACIVSA-N 351.428 1.231 0 40 FDAB Cc1nc(CNS(=O)(=O)c2cc(Br)cnc2Cl)no1 78904008 UKKOPALPHXFYAQ-UHFFFAOYSA-N 367.612 1.667 0 40 FDAB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc(Cl)c1O 6958707 OEVOUSKHFJQRLP-YHYXMXQVSA-N 370.814 1.675 0 40 FDAB COc1ccc(C(=O)COC(=O)Cn2c(C)csc2=O)c(OC)c1 7985636 ALYLHQWAIPCFGM-UHFFFAOYSA-N 351.380 1.662 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1 24987922 NTDNGIDDFUZWIX-UHFFFAOYSA-N 370.471 1.158 0 40 FDAB CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8297692 REVYFQABXZHRSA-QRQLOZEOSA-N 368.485 1.024 0 40 FDAB biogenic,in-vitro Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)c2nnc3ccccn23)c1 89611911 JEIOBPUFEWDRFQ-NSHDSACASA-N 359.411 1.176 0 40 FDAB C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)C1 89929800 PRJHVEDZGJABKC-OAGGEKHMSA-N 369.506 1.907 0 40 FDAB CN(CCS(=O)(=O)N1CCCCC1)S(=O)(=O)c1cccs1 12697814 SDCKZMHZRYNNKV-UHFFFAOYSA-N 352.503 1.184 0 40 FDAB C[C@@H](Sc1nncs1)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 48272753 HEDWMMARBUJQJX-GFCCVEGCSA-N 369.516 1.769 0 40 FDAB CCN1C[C@H](C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1=O 58231962 PSOWMPTZWGGBCI-DGCLKSJQSA-N 353.444 1.104 0 40 FDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 58394288 IDOKHBKCIXYION-GDBMZVCRSA-N 371.445 1.285 0 40 FDAB CCCCn1nnc(NC(=S)NC(=O)c2c(OC)cccc2OC)n1 57316574 YVCDIQNJKRBEJN-UHFFFAOYSA-N 364.431 1.617 0 40 FDAB CC(C)OCc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 36383825 GBOMPDRIQQQPGZ-UHFFFAOYSA-N 373.497 1.992 0 40 FDAB COC(=O)c1cc(CNS(=O)(=O)N2CCC[C@H](C)C2)ccc1OC 45797161 YUROPOGRVBJQMN-LBPRGKRZSA-N 356.444 1.548 0 40 FDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCC(=O)N1CCCC1 10213355 SXMWCTXAQPEJHY-UHFFFAOYSA-N 351.834 1.589 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 10330983 YXBBNQBWCLRQRW-CYBMUJFWSA-N 359.382 1.044 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 10324764 RTYRMIQKAUNSBB-UHFFFAOYSA-N 360.395 1.853 0 40 FDAB C[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)Cn1ccnc1 60380138 ZFAVDPGVZJBSJL-GFCCVEGCSA-N 371.484 1.438 0 40 FDAB O=C(OCC(=O)N1CCOCC1)c1cccnc1Nc1ccccc1F 3484236 GSQNNHPWUIVYJA-UHFFFAOYSA-N 359.357 1.980 0 40 FDAB O=C(N1CCCC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12972041 RUMQOFDJBSHVAF-UHFFFAOYSA-N 369.351 1.481 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3610432 CNOWQXDVEBGSJT-FQEVSTJZSA-N 367.405 1.779 0 40 FDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 13623983 KHGARDVQEVLEDB-INIZCTEOSA-N 365.499 1.251 0 40 FDAB CC(C)c1nc([C@H]2CN(C(=O)C3(O)Cc4ccccc4C3)CCO2)no1 96000810 WJCXAARPYIARRI-OAHLLOKOSA-N 357.410 1.623 0 40 FDAB CN1C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C(=O)C12CCCCC2 5422870 UNUWLOIIJKJGEH-UHFFFAOYSA-N 359.382 1.951 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 6578923 QSENPNGGQLSLEU-UHFFFAOYSA-N 370.438 1.284 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Cl)c1 4855320 NNKCTWSBPSKOIA-GFCCVEGCSA-N 363.753 1.653 0 40 FDAB CCOC(=O)C1=C(CSc2nc(C)cc(N)n2)NC(=O)N[C@@H]1CC 7049083 OBQQOEOOJXQPJY-SECBINFHSA-N 351.432 1.368 0 40 FDAB CC[C@@H](C)NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316697 QXYZVPIRYITPMQ-GFCCVEGCSA-N 361.417 1.807 0 40 FDAB NC(=O)c1ccc(-c2nnn(Cc3nc(-c4ccsc4)no3)n2)cc1 7143910 WYGKWKDIYFOFHX-UHFFFAOYSA-N 353.367 1.599 0 40 FDAB Cc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C 9447236 PSLQGAUXBHOUEK-CYBMUJFWSA-N 363.439 1.407 0 40 FDAB CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCn2ccnc2)c(F)c1 91212699 ACXXLMJRLDBMTI-UHFFFAOYSA-N 358.370 1.488 0 40 FDAB Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2o1 69257634 IRTZFMKSUMMFOF-CQSZACIVSA-N 372.425 1.255 0 40 FDAB CCOC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CO)cc(=O)c1O 72324613 VVAUTQCEZJTFJH-GFCCVEGCSA-N 364.350 1.637 0 40 FDAB biogenic CCOc1ccccc1N1C[C@@H](C(=O)NC2CCN(C(C)=O)CC2)CC1=O 95959436 CVVGVAYHHQYRPS-HNNXBMFYSA-N 373.453 1.565 0 40 FDAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30944538 WYCOUTWNJCCALD-SFHVURJKSA-N 363.477 1.876 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 515283106 IRIFUTXWBYDCRB-OAHLLOKOSA-N 357.458 1.493 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1I 36293036 AGMFLMVSSRHZDV-IWDIQUIJSA-N 367.142 1.734 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(c2cnccn2)CC1 70898282 OKOSMNUNVFWYOP-UHFFFAOYSA-N 371.416 1.265 0 40 FDAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)C(=O)NC1CC1 70899775 SCSFBOPWADMWPE-UHFFFAOYSA-N 358.467 1.908 0 40 FDAB CN1CCc2nc(NC(=O)Cn3ncc(=O)c4ccccc43)sc2C1 39995430 IYVQQLYXPWFNCT-UHFFFAOYSA-N 355.423 1.480 0 40 FDAB CN1C(=O)COc2ccc(C(=O)NC[C@@H](CO)Cc3ccc(F)cc3)cc21 528810910 SZDAZVBXXUKDQC-AWEZNQCLSA-N 372.396 1.762 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782231 LNLDMEKUZJSHGF-UHFFFAOYSA-N 370.384 1.956 0 40 FDAB COc1cc2nc(C)n(CC(=O)NCc3cccnc3)c(=O)c2cc1OC 85876767 BVBYSRNFRQDVOC-UHFFFAOYSA-N 368.393 1.434 0 40 FDAB biogenic COc1ccc(O[C@@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3)C2)nn1 225442110 VUFBMQSEZAPOFN-CQSZACIVSA-N 367.402 1.607 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1 225796678 SUCBBAUKBRQOLY-LBPRGKRZSA-N 352.441 1.852 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=N)O)cc1OC 330530017 ZIPMRNXAYQBLMI-QWRGUYRKSA-N 358.416 1.325 0 40 FDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]1O2 96253012 YPJCGDFTMYTHBG-IXDOHACOSA-N 364.467 1.132 0 40 FDAB O=C(CN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)NCc1ccco1 96128261 NSJOFOVMZCWDIT-CYBMUJFWSA-N 368.480 1.647 0 40 FDAB O=C(NCc1ccccn1)[C@]12COC[C@H]1CN(Cc1ccccc1F)C2 96110098 UNPJVPPNFNOBII-OXQOHEQNSA-N 355.413 1.986 0 40 FDAB C[C@@H]1c2ncc(COCC3CCCC3)n2CCN1S(=O)(=O)N(C)C 96109790 ZBNHPCBOVHBLOZ-CYBMUJFWSA-N 356.492 1.773 0 40 FDAB Cc1cccc(CN2CC[C@]3(C2)C(=O)NC[C@H]3COc2ccccn2)n1 96220001 FOMREAVNLASEKH-OXJNMPFZSA-N 352.438 1.802 0 40 FDAB Cn1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4cccnc4)O[C@H]3C2)cn1 97953615 RTCPNKAOAQGAMS-BZSNNMDCSA-N 355.442 1.111 0 40 FDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(S(C)(=O)=O)CC1 96098215 UROHXQPAPAODRT-UHFFFAOYSA-N 365.430 1.875 0 40 FDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2cccn2C)cn1 248166193 ZWMWTHQAHDWCJD-MRXNPFEDSA-N 357.458 1.170 0 40 FDAB Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257243207 IFWPAQOIZCPILH-SPYBWZPUSA-N 353.426 1.653 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)O)n2)C1 257233828 GQXIPTPPRCCDMP-LBPRGKRZSA-N 361.423 1.666 0 40 FDAB CN(C)c1cncc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1 257271997 NARMZWWANJOESL-INIZCTEOSA-N 351.414 1.651 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)cn1 257319385 VSEZAIQUPGVUPE-OAHLLOKOSA-N 351.410 1.993 0 40 FDAB Cc1nc([C@H]([C@@H]2CCCNC2)n2cc(C(=O)O)ccc2=O)sc1CO 257240533 HTZJRSXTIQTNCR-ABAIWWIYSA-N 363.439 1.393 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)ncn1 257290084 QBMYCZJUURRTBQ-KRWDZBQOSA-N 353.426 1.926 0 40 FDAB Cc1noc(C)c1CN1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 252006436 OZAYQKLHADJKBG-HNNXBMFYSA-N 371.441 1.492 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1CCc1ccccc1 257335831 YMBFRYNUYFJGHI-GOSISDBHSA-N 355.413 1.680 0 40 FDAB CN(C(=O)c1cccc(OCCN)c1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257320341 VWJDMFPAAQXHFP-GUDVDZBRSA-N 361.486 1.474 0 40 FDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(CC2CCC2)C3)n1 253478208 JVFMYSLXBKAMTQ-OAHLLOKOSA-N 351.472 1.453 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257267000 MFNIGAOZSKOSDV-HNNXBMFYSA-N 372.450 1.609 0 40 FDAB CCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCCN2C(C)=O)CC1 597041938 VGAOFEXMUDGZTM-RHSMWYFYSA-N 351.491 1.931 0 40 FDAB O=C(Nc1cc(C(=O)N2CCN(c3ncns3)CC2)ccn1)C1CC1 615795964 IHBIGPAQGVEYBW-UHFFFAOYSA-N 358.427 1.244 0 40 FDAB C[C@@H](C(=O)N1CCC[C@@H](n2ccnn2)CC1)n1nnc(-c2ccccc2)n1 636190458 SMZUFEHMLLJODA-GOEBONIOSA-N 366.429 1.746 0 40 FDAB Cc1cc(=NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)[nH]n1C1CCCCC1 644468745 CLECDTUEYZFDPS-HNNXBMFYSA-N 357.462 1.471 0 40 FDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCOc2ccc(F)cc21 645957698 YWHLPEVXGCLRIN-OLZOCXBDSA-N 358.391 1.423 0 40 FDAB Nc1ccc2c(c1)C[C@H](C(=O)O)[C@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 1616063033 IYAWTWNQFMZVBU-VODUFIJXSA-N 351.406 1.680 0 40 FDAB biogenic O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 655600343 CYWIAEIGLLMEQB-OAGGEKHMSA-N 368.389 1.768 0 40 FDAB O=C(C1CC1)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 670855943 MDRYXKIGAINMOC-ZDUSSCGKSA-N 374.256 1.818 0 40 FDAB COCCCS(=O)(=O)N1CCN(c2nc3c(F)cccc3n2C)CC1 684891782 SRTQECQGZVTZCP-UHFFFAOYSA-N 370.450 1.201 0 40 FDAB CNC(=O)C1(C(=O)N[C@@H](C)CCNC(=O)c2ccc3ncccc3c2)CC1 1775990053 CFIAQNZEYLKIRM-ZDUSSCGKSA-N 368.437 1.386 0 40 FDAB C[C@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 5920782 XYPPDQHBNJURHU-NPBKEMFKSA-N 356.503 1.855 0 40 FDAB biogenic C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1n[nH]c(=O)c2ccccc12 12142043 FNLBCBOGBHHSFL-NSHDSACASA-N 364.361 1.650 0 40 FDAB CC1(C)Oc2ccc(S(=O)(=O)N3CCC[C@H](CO)C3)cc2NC1=O 12187678 PGPZKSLDAKMXLM-NSHDSACASA-N 354.428 1.189 0 40 FDAB CC(C)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310256 HDAWHFITJVXKGJ-UHFFFAOYSA-N 369.404 1.654 0 40 FDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4cccs4)C3)c2n1 12337294 LDYMVACRWNGRFJ-LLVKDONJSA-N 358.427 1.849 0 40 FDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(c2ccccn2)CC1 12409965 SYBHMQCVOXTNOV-UHFFFAOYSA-N 353.361 1.159 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O 12568130 PBCBBUJGUMSRHL-UHFFFAOYSA-N 371.397 1.295 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)cn1 19238856 RGSBAVCWUSGIFR-CQSZACIVSA-N 353.426 1.616 0 40 FDAB C[C@H](CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)n1cccn1 19455138 NXHGDNINDBSVSL-CQSZACIVSA-N 354.458 1.676 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)NCCc3cnccn3)cc2C[C@@H]1C 19497825 MBQXHRZFEXTRJC-LBPRGKRZSA-N 360.439 1.295 0 40 FDAB COc1ccccc1CC(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19569486 IJRDDGPUDUIOAF-OAHLLOKOSA-N 352.438 1.690 0 40 FDAB Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)o1 19747473 QMOYGXFKCVPKAR-UHFFFAOYSA-N 368.437 1.712 0 40 FDAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)cnn2c1 19748426 OOYXOJVKQNTHIX-UHFFFAOYSA-N 355.442 1.902 0 40 FDAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 4742844 FFPUNPBUZDTHJI-XPOJVAQCSA-N 368.514 1.445 0 40 FDAB endogenous,in-man CCCn1nc(C(=O)OCC(=O)NCc2ccco2)c2ccccc2c1=O 3563127 HCZNDPFSMFAMCM-UHFFFAOYSA-N 369.377 1.873 0 40 FDAB Cc1cc(C(F)(F)F)nc(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)n1 1888849687 JAMDYVOUUCTLCJ-ZDUSSCGKSA-N 371.407 1.935 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)NC(C)(C)C)C[C@H]4C3)nn12 1888870009 PZWUUUCIRWZJLQ-BETUJISGSA-N 357.462 1.563 0 40 FDAB c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(N2CCCC2)n1 1889205356 URKGIDVFGKOPCP-UHFFFAOYSA-N 351.418 1.070 0 40 FDAB COc1c(C)cccc1CN1[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1CO 2037971227 CEYQGMJDMBHNEW-ZGXWSNOMSA-N 357.450 1.513 0 40 FDAB O=C(CN1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1)NC1CCCCC1 2087064949 TWOFJJSWADBPFK-HNNXBMFYSA-N 373.444 1.394 0 40 FDAB CC1CC(C(=O)N2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCC2)CO3)C1 1565554622 VYSKBYFVOVPENZ-RMTLACHYSA-N 373.457 1.108 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccc2F)CC1 2055772861 OCFOCBPMLCYAAT-UHFFFAOYSA-N 358.417 1.671 0 40 FDAB COc1cccc(CN2CC[C@H]3C[C@H](C(=O)N4CCN(C)CC4)O[C@@H]3C2)c1 2055729903 AITBXKZRPWFPOS-DFQSSKMNSA-N 373.497 1.449 0 40 FDAB CCN1CCN(C)C2(CCN(C(=O)Cc3noc4ccccc34)CC2)C1=O 2055814151 AUSSDAISBHZQKT-UHFFFAOYSA-N 370.453 1.525 0 40 FDAB Cn1ncc2c(N3CC(Cn4nc(-c5cccnc5)ccc4=O)C3)ncnc21 585605121 SBBPEVYVYQIXDZ-UHFFFAOYSA-N 374.408 1.118 0 40 FDAB CC(=O)OC(C)(C)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611598 GMEGENGLRRNJHR-UHFFFAOYSA-N 359.379 1.237 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H]3CCCNC3)C2)C1 12123018 OYMZQVUMGOIAEN-LAUBAEHRSA-N 371.481 1.788 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(C(=O)c2ccccc2)CC1 40159614 CIKPCNQQLXWZHS-UHFFFAOYSA-N 366.343 1.887 0 40 FDAB O=C(CNc1cc(Cl)ccc1-n1cccn1)NCC(=O)N1CCCC1 50783869 WGRIQANRTUTKEE-UHFFFAOYSA-N 361.833 1.676 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146038 XYZJRDWLOIGRFN-VJOHVRBBSA-N 355.390 1.832 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20616438 UNEHVPPEICCZJU-ZDUSSCGKSA-N 356.338 1.025 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 20737203 XNRRXXDKIHJWCF-HNNXBMFYSA-N 371.437 1.129 0 40 FDAB O=c1oc2ccc(Cl)cc2n1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 32776704 HNZXPVFCNKABCQ-LBPRGKRZSA-N 356.831 1.857 0 40 FDAB NC(=O)c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 47087789 VUKBCOTWAKYSKD-UHFFFAOYSA-N 374.828 1.885 0 40 FDAB O=C(Cc1ccccc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 12408320 NXNDZWKZEFSHTB-UHFFFAOYSA-N 359.389 1.968 0 40 FDAB CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 47529400 BSAQQUZABCRGKJ-UHFFFAOYSA-N 362.455 1.942 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3nc(N)ns3)CC2)[C@@H]1C 79059053 DTJJMNUETWNUSJ-JHJVBQTASA-N 352.508 1.183 0 40 FDAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)cc1 4850188 MENRFQLQUXINHZ-INIZCTEOSA-N 372.473 1.723 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccn2)cc1 4935610 XDCIPVMRMQEYRG-ZDUSSCGKSA-N 363.439 1.464 0 40 FDAB O=C(O)[C@@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1 6184623 MSVFCXYIAXSPDM-OAHLLOKOSA-N 359.407 1.927 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3c(c1)CCO3)n2CCOC 54751710 RMHCCVVVSNQYAS-UHFFFAOYSA-N 370.409 1.545 0 40 FDAB Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24688818 HBMFDIWSPJQNMV-HNNXBMFYSA-N 354.472 1.613 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)cc2OC)c1 56122217 YILQTPHYLVHUKO-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB CN(C)C(=O)COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 25655629 IWHUMMLPRJWTOO-UHFFFAOYSA-N 366.377 1.642 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccco2)cc1 9254739 TWQLBGGUKACUSR-LBPRGKRZSA-N 364.423 1.508 0 40 FDAB CCn1cc(CN2CCCN(C(=O)Cc3cn4ccsc4n3)CC2)cn1 109661220 PHTJZSXPFKKUMM-UHFFFAOYSA-N 372.498 1.889 0 40 FDAB CS(=O)(=O)NCCc1ccc(-c2csc(N3CCOCC3)n2)cc1 22310048 KOOHOVOAGFVFCK-UHFFFAOYSA-N 367.496 1.738 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c1C 22612205 WAHAZKFGEFCYLX-RYUDHWBXSA-N 351.447 1.647 0 40 FDAB COC(=O)c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1F 27188736 YZFDSJFWPYAGGC-UHFFFAOYSA-N 374.324 1.710 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C[C@H](C)O1 48289853 LKYLRXXOGAESAL-GJZGRUSLSA-N 368.503 1.516 0 40 FDAB Cc1cc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc(C)n1 58172742 HDMYZBYUQFKAHI-UHFFFAOYSA-N 372.454 1.481 0 40 FDAB COc1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)cc1S(=O)(=O)N(C)C 72295729 MFBBUDLVDRZGMN-GXTWGEPZSA-N 370.471 1.226 0 40 FDAB CCCNC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(C)C 2147716 NFCRGIWWULNDOQ-VKJFTORMSA-N 374.485 1.528 0 40 FDAB biogenic Cc1ccc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)cc1C 2248970 CKSSNDDDEGLCQE-YVLHZVERSA-N 350.447 1.805 0 40 FDAB CCOc1ccc(CCNC(=O)CN2CSCC2=O)cc1OCC 20909232 CZPNNNJOWBTDQQ-UHFFFAOYSA-N 352.456 1.676 0 40 FDAB COc1ccc(CN(C)C(=O)CCN2C(=O)NC(C)(C)C2=O)cc1F 12891304 UVNMEWJGDBLKMJ-UHFFFAOYSA-N 351.378 1.513 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(CC(F)F)CC2)CC1=O 60240760 GUCANAUYULCUAK-ZDUSSCGKSA-N 367.396 1.457 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCCc2cccc3cccnc23)CC1 12928769 PNPVGPAPOOLXNT-UHFFFAOYSA-N 361.467 1.565 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(N)nc(N)n3)c2C)no1 13013976 OUUQVQOMUDGCJH-UHFFFAOYSA-N 359.415 1.715 0 40 FDAB NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9189897 QBENOUDXVJEUEV-LJQANCHMSA-N 362.389 1.315 0 40 FDAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051187 VZIPNEAHMZAUDI-UHFFFAOYSA-N 369.464 1.919 0 40 FDAB O=C1c2ccccc2C(=O)N1CCSc1nnnn1C[C@H]1CCCO1 14183113 JLXXXLPNHBDOJL-LLVKDONJSA-N 359.411 1.240 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Cn2ccnc2)c1 25175480 UGPSSIJWFDDPJH-UHFFFAOYSA-N 360.377 1.675 0 40 FDAB O=C(COC(=O)c1cc(Br)ccc1O)NC[C@H]1CCCO1 6643741 VTFJJTSLSFYGPB-SNVBAGLBSA-N 358.188 1.607 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCOC[C@H]32)C1=O 4915653 LNLZMBILLKLZSQ-ZDUSSCGKSA-N 363.801 1.138 0 40 FDAB CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCOC[C@H]32)C(=O)O1 4915492 IPGDWHVXFLWFRB-ZDUSSCGKSA-N 351.786 1.924 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O 96305042 RACLPXXKTVVWAJ-OXQOHEQNSA-N 371.485 1.657 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)NC(C)(C)C 7660628 CABANUNKOKOUMS-ZDUSSCGKSA-N 360.458 1.597 0 40 FDAB COc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 9515022 MSDNDQLOFRKISB-GFCCVEGCSA-N 355.460 1.368 0 40 FDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1 8578922 UNTBLFGBFUMDBH-UHFFFAOYSA-N 371.393 1.843 0 40 FDAB CN(CCOc1ccccc1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 18072935 DXEKGSPZCRFSSP-UHFFFAOYSA-N 362.451 1.804 0 40 FDAB O=C(NCCCNC(=O)c1cc[nH]n1)c1cccc(Br)c1 72069459 GINYZUOWGANPEI-UHFFFAOYSA-N 351.204 1.722 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 70770274 ZLLJEFWIRGRHDN-KBPBESRZSA-N 374.503 1.717 0 40 FDAB C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(C(F)(F)F)cc1 24744512 XMOMCNBKTGXHHO-SNVBAGLBSA-N 355.316 1.443 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)CCC4CC4)CC3)C2=O)cn1 95998296 OZWVLGMGABXYJT-QGZVFWFLSA-N 359.474 1.250 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc(CO)nn3)cc2)s1 95939633 PKPQRBKDTURCOV-UHFFFAOYSA-N 350.425 1.930 0 40 FDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89478876 YGJDTYBBIPCVMV-OKCRPCIYSA-N 370.541 1.934 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 75104544 VWOBQRPMBHRDBA-AWEZNQCLSA-N 365.430 1.770 0 40 FDAB CC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1cnc(C)nc12 306123527 APKQUZNNFFNXTQ-UHFFFAOYSA-N 366.425 1.111 0 40 FDAB COC(=O)c1nc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)sc1C 524733843 VLGNQVBRYNZPDH-LBPRGKRZSA-N 372.410 1.647 0 40 FDAB COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)ccc2OC)n1 75105759 WQZISIKXYUGIAQ-ZDUSSCGKSA-N 360.414 1.662 0 40 FDAB C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 32803306 OBVVBSYUQKOBBZ-ZDUSSCGKSA-N 354.472 1.750 0 40 FDAB CCOC(=O)C(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 35587914 JSVWITICCBSJCJ-UHFFFAOYSA-N 363.395 1.111 0 40 FDAB Cc1nnnn1-c1ccccc1C(=O)NCCCc1nnc2ccccn12 79495544 PCPDEYWAXZWSJP-UHFFFAOYSA-N 362.397 1.376 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nncs1 71328849 XDSQGIBMEOXDJH-GFCCVEGCSA-N 360.443 1.397 0 40 FDAB O=C(CN1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1)NCC(F)(F)F 564881964 UKKOSELCMXCARI-AOOOYVTPSA-N 352.259 1.467 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)cc21 40288506 KBQKDQUGLPSVMV-FRRDWIJNSA-N 355.394 1.309 0 40 FDAB CN(c1ccc(OCC(=O)NCCCN2CCCC2)cc1)S(C)(=O)=O 225858981 JJASBBHIMHSAAR-UHFFFAOYSA-N 369.487 1.063 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCCc2ccc(F)cc2)ccc1OC 224221190 UJMGWCBKVPVOQA-UHFFFAOYSA-N 366.414 1.715 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)Nc2cccnc2)s1)c1ccccc1 223908712 UGEPCFIJESKDGU-UHFFFAOYSA-N 361.408 1.986 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ncccn1 224260127 MJJCIVVRATWPES-UHFFFAOYSA-N 361.409 1.846 0 40 FDAB CCOC(=O)CN1C(=O)N[C@@](CC)(c2cc(OC)ccc2OC)C1=O 94993304 DEQPUSIAXMOUQJ-KRWDZBQOSA-N 350.371 1.424 0 40 FDAB Cc1cncc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(C)CC2)CO3)c1 96220831 ITCRLYPLZZWFMW-GOSISDBHSA-N 358.486 1.401 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 96301127 CPBFWEVQVYCDMK-HNNXBMFYSA-N 366.364 1.872 0 40 FDAB COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3coc(C)c3)C2)c(=O)c1 583620180 PFPMHAQJZYGAKB-MRXNPFEDSA-N 374.441 1.705 0 40 FDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 257288676 PVDFOJZBTGXYRG-HNNXBMFYSA-N 357.462 1.396 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)c4scnc4C)C3)ccnc12 257251214 JPWMDEAKIKLHRT-NSHDSACASA-N 370.438 1.484 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 53647132 FVNLQZDYUXSAAE-UHFFFAOYSA-N 351.222 1.150 0 40 FDAB O=C(O)COc1ccc(CN2CCOC[C@@H](Cc3ccncn3)C2)cc1 257290921 QEVPGPGTCBTGPP-INIZCTEOSA-N 357.410 1.631 0 40 FDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2S(=O)(=O)c1ccccc1 257219558 DHFYJBZZKSUWAP-BHYGNILZSA-N 352.456 1.069 0 40 FDAB Cn1ncc2ccc([C@H]3CCCN(S(=O)(=O)c4cccnc4)C3)nc21 257269870 MRSKNQIKSBYNDC-AWEZNQCLSA-N 357.439 1.932 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1ccccc1F 257212951 CFNZISWDHCXARE-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CSc1nc(O)nc(C)c1C(=O)NCCC(=O)NCc1cccnc1 1611078123 WHBRBMGSGOVUGH-UHFFFAOYSA-N 361.427 1.044 0 40 FDAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CCN(C)C2=O)CC1 685836781 WACYBSQOWLVSNA-UHFFFAOYSA-N 358.364 1.681 0 40 FDAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585113026 ZZMXWKNTCODKJR-AWEZNQCLSA-N 370.425 1.658 0 40 FDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 30658198 LAAPLUULLFJXTK-CHWSQXEVSA-N 354.410 1.697 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)NC[C@H]3CCS(=O)(=O)C3)c2O1 44457084 CKMMGDARNVHJRS-GFCCVEGCSA-N 353.440 1.330 0 40 FDAB O=C(NC1CCOCC1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776001970 WCWQESIYSSZVBC-UHFFFAOYSA-N 354.410 1.656 0 40 FDAB O=C(NCC1(N2CCOCC2)CCC1)c1cncc(Br)c1 1776009644 VBMJDDHFUMCGQE-UHFFFAOYSA-N 354.248 1.829 0 40 FDAB COCCN(C(=O)CN1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 61744556 OJMDJOHMANCYML-MRXNPFEDSA-N 366.483 1.101 0 40 FDAB CCCc1nnsc1C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 85436722 FBPCXSUYIINQHJ-CYBMUJFWSA-N 350.444 1.575 0 40 FDAB FC(F)(F)c1ccnc(N2CCN(c3ncnc4[nH]ncc34)CC2)n1 301163755 CEYXSQYMVHZZMZ-UHFFFAOYSA-N 350.308 1.488 0 40 FDAB CSCC[C@@H](C(=O)N1CC[C@@H]1C(=O)O)N1C(=O)c2ccccc2C1=O 1607395639 IJVBBDJUHBYSRY-QWHCGFSZSA-N 362.407 1.090 0 40 FDAB CC(=O)c1cccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)c1 14155306 BYTCXWOIMGIZOQ-UHFFFAOYSA-N 370.471 1.587 0 40 FDAB O=S(=O)(Cc1ccccc1)N1CCC(c2ncc3c(n2)CCNC3)CC1 19372728 OQRTZXGSCOMGQH-UHFFFAOYSA-N 372.494 1.832 0 40 FDAB COc1ccccc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 19570710 OLEDOWNCQSQEGI-UHFFFAOYSA-N 363.421 1.836 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC[C@H](C)O 19696610 OKTWZDJFSCFDDX-VBKZILBWSA-N 371.437 1.762 0 40 FDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 547554306 KSFZABDZNJNSIR-IUODEOHRSA-N 365.411 1.030 0 40 FDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c1 6800739 SFQPHCGDCMZVFK-UHFFFAOYSA-N 361.379 1.777 0 40 FDAB O=S1(=O)CC[C@@H](c2nnc(SCc3nnc(-c4ccco4)o3)o2)C1 9594448 AULRQGUXKMOOPK-MRVPVSSYSA-N 368.396 1.907 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccc(O)nn2)C3)nc1 1888850448 SOKGNVDATHPIDE-SCLBCKFNSA-N 355.398 1.602 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)NC2CN(c3ccccn3)C2)cc1 1888859863 AZFGOCNNAWEBDL-UHFFFAOYSA-N 359.451 1.423 0 40 FDAB CCc1ncnc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)c1F 1888906866 WJYRBWNUWXJBDN-QWRGUYRKSA-N 354.393 1.417 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 7667760 HPLHRLCZHUKEAB-UHFFFAOYSA-N 361.261 1.644 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc4nc[nH]c4c3)C2)ncn1 2037849819 ORKBQACKGSTPBG-LJQANCHMSA-N 366.425 1.423 0 40 FDAB CCC(CC)NC(=O)[C@H]1C[C@]2(CO1)CN(c1nc(C)cc(C)n1)CCO2 2056226225 NJLNTFONKPRTKB-VQIMIIECSA-N 362.474 1.763 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)[C@@]1(C)CC=CCC1)C2 1565546479 CTTQEBIJVGVPDI-VLIAUNLRSA-N 374.485 1.862 0 40 FDAB CC(C)n1nc(CN(C)C)c2c1CN(C(=O)Cn1cc(Cl)cn1)C2 1565554595 VLLFBJNKNHRPDB-UHFFFAOYSA-N 350.854 1.918 0 40 FDAB CC(C)N(C(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)C(C)C 8848783 ZMAQEVPHCMZRMS-UHFFFAOYSA-N 371.441 1.202 0 40 FDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N[C@@H](C)CC)n1 9037981 WDUCTYULXOFUFQ-JTQLQIEISA-N 360.418 1.070 0 40 FDAB CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(OC)cc1 10219390 KPFLWBZEAYNDKC-UHFFFAOYSA-N 368.436 1.529 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCc2ccccc2C1 11927531 DKWYDPOASGKXSD-UHFFFAOYSA-N 368.437 1.249 0 40 FDAB CC(C)NC(=O)c1noc2c1C[C@@H](NS(=O)(=O)c1cccnc1)CC2 2055739198 NXOJVWABJKPGTC-NSHDSACASA-N 364.427 1.044 0 40 FDAB COc1cccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCN(C)CC3)C2)c1 2055781505 LMRHZYSAQCDQRD-TZIWHRDSSA-N 373.497 1.450 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)no1 21698051 QOJUGSIQBHAREG-MRXNPFEDSA-N 369.425 1.832 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 2710724 ZNJGWRSVRCVIIG-GHMZBOCLSA-N 364.423 1.681 0 40 FDAB COC(=O)C1=C(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CCS1 4072241 DQKHFSVOLIMIEQ-UHFFFAOYSA-N 360.391 1.591 0 40 FDAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccsc1C(=O)OC 85474454 HTVDQFVMWLEYIJ-UHFFFAOYSA-N 359.425 1.965 0 40 FDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2cccc(F)c21 101337900 HGBINNZRDUEJFY-VLGSPTGOSA-N 362.386 1.880 0 40 FDAB Cc1ccc(C)c(OCCN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c1 40010024 SYAWQRBRIFBHFG-CYBMUJFWSA-N 354.428 1.037 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 20064315 HRSIAJSIAWBXIQ-AWEZNQCLSA-N 372.494 1.874 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Oc2ccc(N3CCCC3=O)cc2)CC1 21898080 HINTXTDNKDDVMB-UHFFFAOYSA-N 366.439 1.390 0 40 FDAB C[C@H](C(=O)N[C@H]1CCOc2ccc(Br)cc21)S(C)(=O)=O 53411572 WKMDEOIDWQTQDF-KCJUWKMLSA-N 362.245 1.822 0 40 FDAB COC(=O)[C@H]1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC 1650041 PXJHNACNUGYORM-CYBMUJFWSA-N 350.371 1.178 0 40 FDAB C/C=C/c1ccc(OCC(=O)O[C@@H](C)C(=O)N2CCNC2=O)c(OC)c1 23270314 WZDKLJBAPGKMBQ-ITKZLYELSA-N 362.382 1.591 0 40 FDAB NC(=O)Cn1c(SCC(=O)NCCc2ccccc2)nnc1C1CC1 23350566 PEHORTBULDJMCF-UHFFFAOYSA-N 359.455 1.092 0 40 FDAB O=C(Cc1c[nH]c2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23702501 FODRIUHGWPLIFX-OAHLLOKOSA-N 361.467 1.042 0 40 FDAB COC(=O)c1cc(CN(C)C(=O)Cn2nnc3ccccc3c2=O)oc1C 24282628 MDEYSMQHJOCZTR-UHFFFAOYSA-N 370.365 1.138 0 40 FDAB O=C(CSc1ccc(Br)cc1)N[C@H]1CCS(=O)(=O)C1 6472469 LHVJMRVXEGQZRV-JTQLQIEISA-N 364.286 1.845 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1 6957492 ULWVRQRXEFCHRB-LLVKDONJSA-N 353.831 1.718 0 40 FDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccc(F)cc1 7057612 SBJAEZLROPORCU-LLVKDONJSA-N 369.352 1.924 0 40 FDAB C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@@H](C)O1 25412193 HGCXGWLGVMLOHC-HZPDHXFCSA-N 359.470 1.648 0 40 FDAB COc1cccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 57177871 RWQFHHUEPDFIFT-DLBZAZTESA-N 364.467 1.452 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1 12544518 KVGDAAHYXILSIX-UHFFFAOYSA-N 359.354 1.886 0 40 FDAB Cc1csc(=O)n1CCC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 57999114 CMVFZZHJHULNTD-LLVKDONJSA-N 369.468 1.133 0 40 FDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O 10029794 JCLIDBLPZDSGEG-ZMZPIMSZSA-N 363.414 1.386 0 40 FDAB CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 3217650 OIXGVBRKBPHLLM-AWEZNQCLSA-N 354.472 1.670 0 40 FDAB COc1cc(C)c(Br)cc1S(=O)(=O)NCCCN(C)C 27588021 GIYVAEQHGMJAIC-UHFFFAOYSA-N 365.293 1.996 0 40 FDAB Cn1cncc1CN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)CCO2 108527781 XRKKTNWPMICATO-HNNXBMFYSA-N 358.442 1.957 0 40 FDAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 36357831 VCRNPGRTZLWKGE-INIZCTEOSA-N 367.405 1.928 0 40 FDAB CC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11244728 AIDFJEWMOFQXLZ-LBPRGKRZSA-N 357.403 1.747 0 40 FDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NC)nnc12 3375478 UCNFRQUECXLNJK-UHFFFAOYSA-N 374.426 1.002 0 40 FDAB CN(CCCNC(=O)c1ccccc1SCC(N)=O)CC(F)(F)F 46833561 AEVVKXUDSXULMM-UHFFFAOYSA-N 363.405 1.878 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)S(=O)(=O)C3CCOCC3)cc12 95419543 XILJCQYJRBCZIC-NSHDSACASA-N 366.443 1.198 0 40 FDAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 3493340 KWQIZDLXNFTXPA-LBPRGKRZSA-N 353.835 1.703 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1 6013035 SATGJROACUCZBE-MDZDMXLPSA-N 360.391 1.529 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@@H](C)C(C)C)cc1 4285324 GQFBSHQUNWGFMW-AWEZNQCLSA-N 355.456 1.863 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 14013828 CCLCPJNJUJOLCX-ARGWCVDVSA-N 371.437 1.721 0 40 FDAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NCCCN1CCCC1=O 6506035 KLDABSDAXCOVAW-UHFFFAOYSA-N 370.352 1.574 0 40 FDAB COc1ccc(CCNC(=O)CCC(=O)NC[C@H]2CCCO2)cc1OC 4616472 OHXROEUEUVPJNU-OAHLLOKOSA-N 364.442 1.438 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@]2(CC(=O)N(c3ccccc3)C2=O)C1 4694900 FZFGKEGIXZGPND-FQEVSTJZSA-N 363.373 1.781 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 6738276 XMKVYUUJJZBHQZ-INIZCTEOSA-N 361.398 1.489 0 40 FDAB CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2)NC(=O)N[C@@H]1C 6998260 DFUDUSXEQDGIRS-SNVBAGLBSA-N 374.426 1.273 0 40 FDAB CCN(C(=O)[C@H](C)OC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 15644999 YYTTWQGIHZQKJD-NWDGAFQWSA-N 373.858 1.921 0 40 FDAB CCOC(=O)C[C@H](C)CNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 95445068 FEBPLFNWFBZQLW-NWDGAFQWSA-N 360.414 1.387 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCSCc1ccco1 7736762 WIEQHGBDOMEFGN-UHFFFAOYSA-N 370.452 1.599 0 40 FDAB C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7938070 NCGPLEOKZOJWBG-RYUDHWBXSA-N 352.412 1.561 0 40 FDAB CCC[C@@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O)C(=O)OCC 8428189 IPVQLZZIHOAWMC-ARKGTOAJSA-N 368.474 1.941 0 40 FDAB in-vitro O=C(CNC(=O)c1cnn(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 17914487 IVVJXSVSGPHUHD-UHFFFAOYSA-N 357.320 1.914 0 40 FDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(OC)c1 8657287 YLNNYRRMYAEXEV-UHFFFAOYSA-N 369.381 1.299 0 40 FDAB CNC(=O)[C@@H](C)CN(C)C(=O)CSCC(=O)Nc1ccc(C)cc1 72311390 UTIJAZZTJUOPPI-ZDUSSCGKSA-N 351.472 1.507 0 40 FDAB c1cncc(OCC[C@@H]2CN(c3ccc4nncn4n3)Cc3ccnn32)c1 306125281 CLFSIYNDWBDYEY-OAHLLOKOSA-N 362.397 1.746 0 40 FDAB C[C@H](Oc1cccc(F)c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 124775095 IPYUMLZZGBGGQK-LBPRGKRZSA-N 358.435 1.381 0 40 FDAB O=C(CSc1ccc(-c2ccc3c(c2)OCCO3)nn1)N1CCOCC1 35315409 RVKPUUQZSDIQBQ-UHFFFAOYSA-N 373.434 1.866 0 40 FDAB CCc1nc(=O)c2ccccc2n1C1=CCN(CC(=O)NCCOC)CC1 72348277 HFVIFFRTIURJGS-UHFFFAOYSA-N 370.453 1.268 0 40 FDAB NC(=O)c1cccc(Cc2ccc(NC(=O)CN3CCOCC3)cn2)c1 79495452 XGBWGIYTPOHBFP-UHFFFAOYSA-N 354.410 1.042 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217532637 AXFZPHBFMADBJR-LLVKDONJSA-N 368.411 1.903 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 72325186 COXVVTURZVPJIO-CQSZACIVSA-N 355.398 1.506 0 40 FDAB biogenic CO[C@]1(C)C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1(C)C 521621202 PYEWOBPSMABGMA-RHSMWYFYSA-N 371.455 1.974 0 40 FDAB Cc1ccc(C)c(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)c1 32647374 YLODTPAYEQMLGU-UHFFFAOYSA-N 366.377 1.818 0 40 FDAB Cn1nc(CNS(=O)(=O)c2cnn(C(F)F)c2)c(Cl)c1Cl 36615062 QPUQJBKEVWXDDQ-UHFFFAOYSA-N 360.173 1.797 0 40 FDAB COc1cccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 224227940 VMLKJALIOCYRDK-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB CCC(=O)N1C[C@@H]2[C@H](C1)c1nc(Nc3ccccc3)ncc1CS2(=O)=O 96083433 PNCXAFOKTAPLEI-LSDHHAIUSA-N 372.450 1.853 0 40 FDAB Cc1nc(C(=O)N2CCO[C@@H](C(=O)O)C2)nn1-c1ccc(Cl)cc1 583650565 KJSUBBAXKCUSLW-GFCCVEGCSA-N 350.762 1.155 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(F)cc1)C2 96230554 IIQXRYZFUHJDJW-LJQANCHMSA-N 357.433 1.482 0 40 FDAB CN1CCCN(C(=O)c2nc3c(n2C)CCN(Cc2ccccc2)C3)CC1 96147099 UWLPOGCWYSJRHI-UHFFFAOYSA-N 367.497 1.756 0 40 FDAB COc1ccc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1OC 96117646 IBQISQIGYJPTRS-UHFFFAOYSA-N 367.409 1.581 0 40 FDAB CO[C@@H]1C(=O)C[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14OC)c1cc2c(cc13)OCO2 96023901 QJDYNQYLCIPODD-WPVAHCMFSA-N 373.405 1.533 0 40 FDAB biogenic CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1 96158696 WHGCJHKSAQFBOZ-INIZCTEOSA-N 356.426 1.965 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@H](c3nccnc3-c3cncn3C)C2)cn1 257281531 OPQQPACZGUPGTI-CQSZACIVSA-N 363.425 1.995 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)cc1 257209127 BPDMBTMDIVONNL-NCXUSEDFSA-N 357.406 1.757 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccncc3)cn2)CC1 257208281 BLMDIPSVXISWPA-UHFFFAOYSA-N 353.426 1.603 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)O)cc1 264631678 VGAGJEBJIHNSBO-CQSZACIVSA-N 350.396 1.506 0 40 FDAB C/C=C/COc1cccc(CC(=O)N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)c1 622165519 HFBOODMKPKSJQY-NDIJEHHESA-N 356.426 1.943 0 40 FDAB CO[C@]1(c2nnc(Cn3nc(C)c(Br)c3C)o2)CCOC1 643646356 WVKUFUNRZRDLFQ-CYBMUJFWSA-N 357.208 1.956 0 40 FDAB C[C@H]1CC[C@@H](NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)CS1(=O)=O 659558296 YEMGKVFTPWVDHB-NCDQQDHASA-N 369.531 1.405 0 40 FDAB COc1c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)[nH]c2ccccc12 1775960166 VVHZWUSINJXEBG-DZKIICNBSA-N 357.410 1.733 0 40 FDAB Cc1snnc1C(=O)N1CC[C@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 585106950 LUZBKNNBBROUIG-RDTXWAMCSA-N 356.451 1.935 0 40 FDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)Cn3ccnc3C)C2)cc1 585276162 DEMHAPDKBITUDV-IBGZPJMESA-N 359.426 1.169 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21 585111716 GNNJPFFDGHARIQ-HNNXBMFYSA-N 352.435 1.518 0 40 FDAB COc1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(C)cc3)C2)ccn1 585278145 QWFKNVWQITUCTE-HXUWFJFHSA-N 356.422 1.845 0 40 FDAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCCCC2)C1 585289474 HSUQUNXLYVQOBK-AEFFLSMTSA-N 352.862 1.303 0 40 FDAB Cc1nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cc(C(F)(F)F)n1 685940444 ACBMQQICJBXZJB-HBNTYKKESA-N 356.352 1.899 0 40 FDAB COc1cc2nc(N3CCN(C)[C@H](c4ncc[nH]4)C3)nc(N)c2cc1OC 684599944 NKPDBHJTCJVZLG-ZDUSSCGKSA-N 369.429 1.445 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCOCC1 32980154 IKOFMULASWGVDY-CQSZACIVSA-N 360.863 1.502 0 40 FDAB CCOC(=O)N(C)c1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 76017667 VPGDGZUUSYKCMX-UHFFFAOYSA-N 362.386 1.548 0 40 FDAB Cn1nc(C2CCN(S(=O)(=O)C3CC3)CC2)n(-c2ccccc2)c1=O 85470765 SSKMYMKJUYUIRH-UHFFFAOYSA-N 362.455 1.243 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 89404364 HIVALKVWKDCINO-CZUORRHYSA-N 354.472 1.464 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCCN(CC(F)(F)F)CC3)ccc21 518767167 QGBBNJFYSZLWRO-UHFFFAOYSA-N 356.348 1.989 0 40 FDAB C[C@H](NC1CCN(CC(N)=O)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C 95996248 BLVNCZVDPCRWFP-DZGCQCFKSA-N 354.495 1.314 0 40 FDAB Cn1cccc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@@H]12 1549162511 RHYJSINDSGZEMT-LJQANCHMSA-N 366.465 1.916 0 40 FDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccnc(N3CCCC3)c2)C1 1615085724 RQEXVNNFKVUARU-FQEVSTJZSA-N 374.485 1.829 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 18241124 BTCTVOVUCWBAAI-GJZGRUSLSA-N 357.362 1.372 0 40 FDAB Cc1ccc(CN(C)C(=O)CSc2nnc(SCC(N)=O)s2)o1 19352112 IELMSYRNEGSEIT-UHFFFAOYSA-N 372.497 1.768 0 40 FDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1ccc(Cl)cc1 19500713 UMBNESFENUNIQZ-MOROJQBDSA-N 364.829 1.927 0 40 FDAB NC(=O)C1CCN(CCCNC(=O)c2cn3cc(Cl)ccc3n2)CC1 19716853 VOQVEIUVFDGXCY-UHFFFAOYSA-N 363.849 1.305 0 40 FDAB Cc1ccn2c(O)c(C(=O)NCc3ccc4c(c3)OCO4)c(=O)nc2c1 164576923 OINQJQJAZNGSPL-UHFFFAOYSA-N 353.334 1.367 0 40 FDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)Cn1cnc2ccccc2c1=O)C3 208037470 DMSZCDRQSFXMPC-UHFFFAOYSA-N 374.404 1.333 0 40 FDAB Cc1noc([C@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@@H](C)O2)n1 628857998 RDNAGOWJZTXEPD-IAQYHMDHSA-N 356.382 1.322 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCCn2cc(C)cn2)[C@H]1c1nccn1C 668867496 AZJAQNKLICRGPX-HOCLYGCPSA-N 358.446 1.041 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 5505849 ZWVSUHXKLJUDIQ-UHFFFAOYSA-N 366.373 1.484 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(S(=O)(=O)c2cnc[nH]2)C3)nc1 1888868561 GDGLCUWQAAJGSL-XJKSGUPXSA-N 363.443 1.378 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1=O 1888888022 AUYCDNJBSDKUDA-BETUJISGSA-N 364.409 1.002 0 40 FDAB CCc1cnc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)nc1 1889139185 CUGNXOBDCFWNPO-UHFFFAOYSA-N 350.430 1.650 0 40 FDAB CC(=O)N1CCC(N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)CC1 2037985345 GVFVAKYWIVBQAY-NRFANRHFSA-N 371.481 1.753 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 968994 NYHYLDUUXDFSNH-UHFFFAOYSA-N 359.382 1.254 0 40 FDAB C[C@H]1CCCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)C1 7425822 BTZRZXIXAUWRIQ-AWEZNQCLSA-N 367.453 1.718 0 40 FDAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1cn(C)nc1OC 12422614 SIPGFWAELQSUIE-UHFFFAOYSA-N 350.448 1.422 0 40 FDAB O=C(c1cnccn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751238 YPTMRUZTPBVDGY-UHFFFAOYSA-N 365.437 1.796 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)cn1 2055750684 QEMIKYSHTULMPC-RBUKOAKNSA-N 352.438 1.764 0 40 FDAB CC[C@@H](C)NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409288 PSRYJOJGYCSVOE-CQSZACIVSA-N 369.487 1.328 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cc(=O)[nH]c2ccccc12 50320283 IVUZNJYYTJXJKF-IAGOWNOFSA-N 370.405 1.855 0 40 FDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC(C)(C)CO)n3)ccc12 32093795 CNABVGRFUJBDMW-UHFFFAOYSA-N 373.365 1.564 0 40 FDAB biogenic CCn1c(S)nc2cc(C(=O)NCCNC(=O)C(C)C)ccc2c1=O 102168792 BJKVKPJWORGLIQ-UHFFFAOYSA-N 362.455 1.207 0 40 FDAB C[C@@H](C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O 102288998 ITWFGSHIRAUXNT-DVOMOZLQSA-N 372.421 1.909 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 32836495 SVMADVZLBSNJPW-UHFFFAOYSA-N 373.434 1.191 0 40 FDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1 32999837 BNHAEHOAWACVTB-UHFFFAOYSA-N 354.362 1.515 0 40 FDAB COc1cc(-c2nc(C)c(C(=O)NCCO)s2)cc(OC)c1OC 12389138 CSWDWXQIIMNGSK-UHFFFAOYSA-N 352.412 1.866 0 40 FDAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1ccc(-n2cncn2)nc1 47526928 PQKYDGZGVUPWNH-UHFFFAOYSA-N 366.429 1.653 0 40 FDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)N2CCCCC2)CC1 22930358 IQWOOSODRBMUQX-SFHVURJKSA-N 372.513 1.321 0 40 FDAB CCOc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1 2719898 CMIDHOWWCHWERH-UHFFFAOYSA-N 363.464 1.857 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Oc1ccc3c(c1)OCO3)C2=O 24008422 QFCFGMIDUKKXGS-ADLMAVQZSA-N 360.366 1.821 0 40 FDAB O=C(O)[C@H]1Sc2nc(O)sc2[C@H]2c3ccc(O)cc3OC(=O)[C@@H]12 4597813 XLLALKBLIJIEGD-XKSSXDPKSA-N 351.361 1.780 0 40 FDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O 4356423 PJJZOMRBURCJGL-RYUDHWBXSA-N 361.508 1.649 0 40 FDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 24942042 MLJCKDGRAJJELY-UHFFFAOYSA-N 354.432 1.403 0 40 FDAB Cn1nnnc1SCCC(=O)Nc1ccccc1C(=O)N1CCCCC1 56407863 DIOWUNLLENQJLU-UHFFFAOYSA-N 374.470 1.957 0 40 FDAB CC(C)C[C@@H]1C[C@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)CC(=O)N1 108176909 FLZMDZOGWDVLTG-SOUVJXGZSA-N 366.531 1.563 0 40 FDAB CN(C)[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1 57917594 RRKNDMKLDPCIIC-CYBMUJFWSA-N 353.469 1.428 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)o1 58209080 VYYQYZDWRIKNSY-SFHVURJKSA-N 370.365 1.093 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)cn1C 58218899 GBLPNNRKCIFUCY-LBPRGKRZSA-N 362.455 1.694 0 40 FDAB CNC(=O)C1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 12759697 XVCMTZATGWOEBR-HNNXBMFYSA-N 374.485 1.238 0 40 FDAB Cc1cc(O[C@@H](C)C(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2129589 BALLDRSEUITJHT-NSHDSACASA-N 359.378 1.948 0 40 FDAB biogenic CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)N(C)C)C1 58357181 PCIFBBXIRKVCQW-CQSZACIVSA-N 366.483 1.809 0 40 FDAB COc1cccc(-c2nc(CC(=O)NCCC(=O)O)cs2)c1OC 36365847 SRRLLRGHNJNZNS-UHFFFAOYSA-N 350.396 1.961 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C 3312099 HJPGLOMEUHUMPB-UHFFFAOYSA-N 367.402 1.589 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1 11029569 WEYUUNQSIQGFSY-UHFFFAOYSA-N 354.428 1.074 0 40 FDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccccc1C 22587432 JNMPIJGUGJAIAI-GOSISDBHSA-N 372.469 1.414 0 40 FDAB C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1Cl 12857274 BVDHLJUFXYDDPC-LBPRGKRZSA-N 357.801 1.960 0 40 FDAB CC(C)n1nccc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 22290868 NLFURKMVPWAILI-UHFFFAOYSA-N 361.427 1.531 0 40 FDAB COc1cccc(COCC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1 46745311 FPRIYJDLOXJUIT-JYJNAYRXSA-N 350.459 1.826 0 40 FDAB Cc1noc2ncc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)cc12 25239886 PMWIUQYTZPPTBT-UHFFFAOYSA-N 360.395 1.833 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 3475144 BFHYIEGSWSABHG-UHFFFAOYSA-N 366.377 1.946 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)n1cnnn1 13017089 FRGHJZLGRFOELX-INIZCTEOSA-N 365.393 1.545 0 40 FDAB CC1=C(C(=O)OC2CCCCCC2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 19461917 ZHCUUKBAHUCMNI-WOJBJXKFSA-N 357.406 1.902 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nccn2-c2cccc(F)c2)C1 9157097 NSYUXRPTSHMXIL-GFCCVEGCSA-N 362.430 1.827 0 40 FDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 9183891 WYAPNAOONRSOQS-SNVBAGLBSA-N 359.404 1.877 0 40 FDAB Cc1sc2nc(CS[C@H](C)C(=O)O[C@@H](C)C(N)=O)[nH]c(=O)c2c1C 4492006 SQFSWQTTWVITCC-IONNQARKSA-N 369.468 1.640 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3ccsc3n2)c1C 14134984 FQTKQROBZXVDRL-UHFFFAOYSA-N 361.379 1.845 0 40 FDAB COC(=O)c1ccc(OC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 5422920 CKQVSYUGMWNXTJ-UHFFFAOYSA-N 374.393 1.976 0 40 FDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nnc2ccccc2c1=O 6580165 FDQXCWUVGGFCAB-KRWDZBQOSA-N 350.378 1.108 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)o2)c(OC)c1 6587609 XPIJEFSTRHTKEH-UHFFFAOYSA-N 363.395 1.995 0 40 FDAB O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NC[C@@H]1CCCO1 6664317 WNKFGAUCJCOICO-ZDUSSCGKSA-N 357.414 1.251 0 40 FDAB COc1ccc(NC(=O)[C@@H](NC(C)=O)C(=O)NCc2ccc(F)cc2)cc1 5726208 YVYAQMDSZJLQCN-KRWDZBQOSA-N 373.384 1.594 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)CCC(=O)c1cccs1 5867254 PHUJEPYTFKANRR-UHFFFAOYSA-N 355.412 1.714 0 40 FDAB CCCOc1ccc(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6972415 FRPFPUDCVDUDTJ-UHFFFAOYSA-N 358.398 1.302 0 40 FDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(F)cc1 6976526 RJEHPWKPPBXBAP-UHFFFAOYSA-N 362.405 1.543 0 40 FDAB O=c1c2cnc(NC[C@H]3CCCO3)nc2nc(O)n1-c1ccc(F)cc1 67263718 AZRFMLLKAFEBKU-GFCCVEGCSA-N 357.345 1.611 0 40 FDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NCC(F)(F)F 7063503 NHKRDGOZDGKWPA-UHFFFAOYSA-N 371.271 1.073 0 40 FDAB O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905571 JJCSKAXFNIOCSI-OEMYIYORSA-N 361.401 1.684 0 40 FDAB CCc1nnc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)s1 7667688 TYTYMUSMGPBNAJ-UHFFFAOYSA-N 352.441 1.675 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 9586686 XGZLNVYNHZWHQO-LBPRGKRZSA-N 367.471 1.043 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)OCO2 7912931 YZGAHNWCHHGQPE-UHFFFAOYSA-N 367.383 1.327 0 40 FDAB CCn1ncc(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1C 17073893 LAIYYFAQKCLYFD-LLVKDONJSA-N 358.317 1.181 0 40 FDAB C/C=C/c1cc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc(OC)c1OC 9909370 ZTPDYQHAVGQNBO-MVIFTORASA-N 362.382 1.834 0 40 FDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)C1CCCCC1 9950944 VQJOEZGLBMRWAQ-UHFFFAOYSA-N 370.453 1.968 0 40 FDAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc2n[nH]c(=O)n2c1 89788157 PRAILLYPIRFNRT-GFCCVEGCSA-N 371.828 1.932 0 40 FDAB Cc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 25243675 QXCSKOJFTAZUMU-NSHDSACASA-N 370.327 1.714 0 40 FDAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)c1 408709392 RZOFHUMBMSALNA-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2)C1 38772190 SLAMBQZSCIFDQM-INIZCTEOSA-N 353.488 1.254 0 40 FDAB CC1=C(C(N)=O)C(=O)N(C)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 35183208 XVPXZEBVFIARFG-UKTHLTGXSA-N 366.377 1.070 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 72399046 SIJSLGXTJIJFJE-AWEZNQCLSA-N 370.453 1.181 0 40 FDAB Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 72376306 WFMBIRRMDOBDDE-CQSZACIVSA-N 362.459 1.867 0 40 FDAB CCNC(=O)CN1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 40107462 FWXWTOUQBWMOPR-UHFFFAOYSA-N 372.238 1.482 0 40 FDAB Cc1cnc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(F)c2)s1 226746407 WNBSMECFYLOSFJ-UHFFFAOYSA-N 373.431 1.858 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cnccn1 75161894 DMDAWHQZJQORED-UHFFFAOYSA-N 362.397 1.241 0 40 FDAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1 223646801 BUEBYNYCCDZWNM-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB CN([C@@H](C(=O)NCCCN1CCCC1)c1ccccc1)S(C)(=O)=O 224642024 IWKHPPBOFPWZFI-MRXNPFEDSA-N 353.488 1.221 0 40 FDAB Fc1cnc(N2CCOC3(CCN(CC4CCOCC4)CC3)C2)nc1 96049019 QQJYEHXOAZCIMY-UHFFFAOYSA-N 350.438 1.714 0 40 FDAB CCS(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 97953879 LMMIQLUVEPPHSF-CQSZACIVSA-N 357.476 1.112 0 40 FDAB COc1cc(N2CC3(C[C@H](OCC4CCOCC4)CS3)C2)ncn1 247869235 CGHHMLNZYHERBD-AWEZNQCLSA-N 351.472 1.993 0 40 FDAB O=C(c1cccc(Br)c1)N1CCC(N2C(=O)CNC2=O)CC1 245171713 XRBSIVVYPLWTFC-UHFFFAOYSA-N 366.215 1.606 0 40 FDAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)CN3CCOCC3)CC2)C1 257328267 XEXGSQFGWRLAPU-IBGZPJMESA-N 373.497 1.605 0 40 FDAB CCCC1(O)CCN(C(=O)Cc2ccc(S(=O)(=O)NCC)cc2)CC1 585083271 KSBNHIBDJVGHFY-UHFFFAOYSA-N 368.499 1.681 0 40 FDAB COCCOc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ccn1 253473050 RDVSOLAZXSYRQL-UHFFFAOYSA-N 364.427 1.826 0 40 FDAB COc1ccc(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 252509889 YXNINNXNWVIVAN-UHFFFAOYSA-N 362.407 1.813 0 40 FDAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCCCN 257245049 INXCCEGBMCKXMR-IBGZPJMESA-N 357.458 1.158 0 40 FDAB Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257283835 PABLIEMHCMKRIQ-QZTJIDSGSA-N 355.390 1.886 0 40 FDAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc(N(C)C)n1 257205586 AZTIODVSJVOIGK-ZDUSSCGKSA-N 350.448 1.110 0 40 FDAB Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)O)c2)cnn1[C@H]1CCOC1 451098186 GTSSUEVSDZKGJL-LBPRGKRZSA-N 369.374 1.791 0 40 FDAB O=C(Nc1ccc2c(n1)OCCO2)[C@H]1CCN(C(=O)c2ccccc2)C1 628071682 MUUDPFLAQJSBQJ-AWEZNQCLSA-N 353.378 1.954 0 40 FDAB Cc1cn(C2CCOCC2)nc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 631249955 VQEHTGSSPAMGTQ-LBPRGKRZSA-N 374.363 1.436 0 40 FDAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCn2nnnc2C)C1 585276444 LQQZGAFALYLCOY-GOSISDBHSA-N 359.430 1.458 0 40 FDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(S(=O)(=O)c1cccnc1)CC2 585096164 ADHOLQRKKVXZEK-LBPRGKRZSA-N 363.443 1.182 0 40 FDAB Cn1ccnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1=O 1776007731 BXWFTFQRCUTRQI-UHFFFAOYSA-N 353.304 1.047 0 40 FDAB O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H]([C@@H]2C2(OCCO2)[C@@]35Br)[C@]14Br 5296124 GABJUTVSUROVBC-UQGLKMJPSA-N 362.017 1.331 0 40 FDAB COCCNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCNCC1 12156864 VKVDLGZNBLAFBO-MRXNPFEDSA-N 363.433 1.841 0 40 FDAB CC1=C(C)C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C(=O)O)C1 13323609 JJZSZXFHCWNAEX-PMPSAXMXSA-N 364.442 1.283 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 13563169 ZXQJABPTLRDMMA-OKILXGFUSA-N 366.425 1.767 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)n1 19573330 QJKZPJPLMPCWCW-HNNXBMFYSA-N 355.442 1.409 0 40 FDAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)C1CC1 19751223 ZTZMHDXAGDYXLA-ZDUSSCGKSA-N 371.412 1.832 0 40 FDAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 4249254 KJHQPQLRZXGPHJ-UHFFFAOYSA-N 357.414 1.556 0 40 FDAB Cn1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1=O 390832087 XCVZCYGCEGDEQU-VIFPVBQESA-N 355.320 1.032 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2cccs2)NC(=O)N[C@H]1C 6497392 FLVJFWQQPJOOQM-FGEFZZPRSA-N 350.396 1.823 0 40 FDAB CS(=O)(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888878937 FRRARALZYFYQBC-GFCCVEGCSA-N 351.403 1.943 0 40 FDAB COc1c2ccc(C(=O)NC3CN(c4nnc(C)s4)C3)cc2nn1C 1888882287 SWIRZKMHHKOBHH-UHFFFAOYSA-N 358.427 1.360 0 40 FDAB COc1nccnc1N(C)CC1CCN(C(=O)NC2CCOCC2)CC1 1889136066 VYDRMVUIDPPNFS-UHFFFAOYSA-N 363.462 1.522 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)[C@H]3CCOC3)C2)C1 1565552931 DRKGRMKDXUSCGW-SCLBCKFNSA-N 358.398 1.194 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1 8849238 DHPYITGJLBYOCW-UHFFFAOYSA-N 350.378 1.614 0 40 FDAB CC(C)Oc1cccc(C(=O)N2CC3(CCN3C(=O)c3cnn(C)c3)C2)c1 2055746529 VNXPKEHCBKBLHI-UHFFFAOYSA-N 368.437 1.948 0 40 FDAB COCCN(CCOC)C(=O)c1cn(-c2ccccc2)c(=O)cc1OC 206825588 OODCGLJHQYQNOW-UHFFFAOYSA-N 360.410 1.581 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217878782 ZKUKLDZONHXJJI-UHFFFAOYSA-N 372.450 1.754 0 40 FDAB CCOC(=O)N1CCN(c2nnnc3c2cnn3-c2ccccc2)CC1 49029791 KYJINMZSGVQPCD-UHFFFAOYSA-N 353.386 1.489 0 40 FDAB C[C@](O)(CNC(=O)C(=O)NCc1cccs1)c1ccc2c(c1)OCO2 75155473 TVKQTEFWPDGXEC-KRWDZBQOSA-N 362.407 1.117 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 79313588 HTLJIRVYNAJEFE-CABCVRRESA-N 358.446 1.426 0 40 FDAB NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3ccccc3)n2)cc1 20736835 ZXRDUCIBTQVJPO-UHFFFAOYSA-N 366.377 1.606 0 40 FDAB O=C(CCNC(=O)[C@H]1COc2ccccc2O1)N=c1[nH]c2ccccc2[nH]1 20715977 DHSMEPOAQHEFOF-MRXNPFEDSA-N 366.377 1.270 0 40 FDAB CCSc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 101685375 KKNJSJLWHMQDPE-DTORHVGOSA-N 352.441 1.540 0 40 FDAB CC(C)CC(=O)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 32753592 MFCXFVGSGZZVJG-UHFFFAOYSA-N 360.414 1.979 0 40 FDAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3OC)C2=O)CC1 21816805 IJMLTUZDXGPQRM-AWEZNQCLSA-N 361.398 1.101 0 40 FDAB Cc1ccc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 22847013 QUWZNHHNWZUBIE-OAHLLOKOSA-N 368.524 1.418 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1c(N(C)C)nc[nH]c1=O 79110673 GTNFENLJYKEHCF-UHFFFAOYSA-N 366.425 1.820 0 40 FDAB Cc1noc(CCCC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 79107058 FGFUOBKENDZMIF-ZWKOTPCHSA-N 370.453 1.813 0 40 FDAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348487 UQDVAQLRLSACBF-JTQLQIEISA-N 351.432 1.276 0 40 FDAB Cn1nc(C(=O)OCc2cc(=O)n3ccsc3n2)c2ccccc2c1=O 3543056 VZKMKGJPXWRKDL-UHFFFAOYSA-N 368.374 1.360 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 23983424 FNYWXFJJBLSDNM-ZDUSSCGKSA-N 354.428 1.473 0 40 FDAB CC(C)N(Cc1ccccn1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 55738084 FEABOLHTXRMSAT-UHFFFAOYSA-N 360.439 1.316 0 40 FDAB CNC(=O)NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 55874788 IHSFJNXKDGACJW-UHFFFAOYSA-N 358.373 1.874 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c1 57312594 BTPAXCUMDIAERA-CQSZACIVSA-N 353.426 1.828 0 40 FDAB COc1ccccc1[C@H]1N=C(N2CCN(C)CC2)Nc2nc(C)cc(=O)n21 9289604 GUFHHYSXVCKMEA-KRWDZBQOSA-N 368.441 1.136 0 40 FDAB O=C(COC(=O)c1cccnc1N1CCOCC1)NCc1cccs1 12620556 ADKXZTRMICKDGA-UHFFFAOYSA-N 361.423 1.453 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N1 9939455 JQWUGMCECZVQTK-KBPBESRZSA-N 350.440 1.795 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 104278568 FVLCXWNXYDVNGH-KRWDZBQOSA-N 358.438 1.632 0 40 FDAB Cc1noc2ncc(S(=O)(=O)Nc3cccc(-c4nnnn4C)c3)cc12 58171588 AZUIULAORNJQLF-UHFFFAOYSA-N 371.382 1.523 0 40 FDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 48288007 HPGOESLFVZHXHM-SJORKVTESA-N 374.466 1.057 0 40 FDAB CCOC(=O)NC(=O)C(=CNc1ccc(C)cc1)C(=O)NC(=O)OCC 2178871 QVHSZVBCDFTMES-UHFFFAOYSA-N 363.370 1.836 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCc3nccn3C)C2)cc1 58304674 FNNDXGVYFJEQNQ-QGZVFWFLSA-N 354.454 1.940 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1cccc(Br)c1 2240128 CCRDDMVLSIBRAI-UHFFFAOYSA-N 367.228 1.523 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)cc1 11363207 AHHPAKDWFNCIBB-UHFFFAOYSA-N 371.422 1.950 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(OCC(N)=O)c1 29205638 JXGFYYAJERVFSF-SFHVURJKSA-N 369.421 1.944 0 40 FDAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 12894258 NAAVESJQKSCUQG-ZDUSSCGKSA-N 357.435 1.993 0 40 FDAB C[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C(=O)NCc1ccco1 60167201 XBZVJUDLYGOINX-LBPRGKRZSA-N 353.419 1.705 0 40 FDAB O=C1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2-n2cccc2)CCN1 49544907 BZTMJIGLOFWREQ-UHFFFAOYSA-N 369.812 1.888 0 40 FDAB COC(=O)[C@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1 95461681 PLGDPYVVTSGHQX-INIZCTEOSA-N 352.387 1.930 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1cccc(F)c1 14116726 AEEIEGULRMGWJB-UHFFFAOYSA-N 366.414 1.771 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc2c(c1)OCO2 6544496 NSZUUBMIMXCHEG-UHFFFAOYSA-N 366.329 1.551 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cnnn3)c2)n1 14801809 RZPOCRXIPTZMBL-UHFFFAOYSA-N 358.383 1.477 0 40 FDAB Cc1ccc(CNC(=O)Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1 6840237 NDENVMGNUMZABF-UHFFFAOYSA-N 363.417 1.683 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccccc1 7600146 RMVPEKHCUUYLIL-LBPRGKRZSA-N 361.398 1.667 0 40 FDAB CCCCn1c(N)c(N(CCC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O 8735016 RSQVSHLMMGRXEN-UHFFFAOYSA-N 363.418 1.581 0 40 FDAB COC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9883536 AYTDFVIJETZKHC-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB C[C@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1 72293080 QKRIOGVCWSFICW-KXBFYZLASA-N 369.506 1.908 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 97127749 IUWNKJUJYZMMCU-ZIAGYGMSSA-N 370.457 1.477 0 40 FDAB Cc1ccc2c(c1)CC[C@@H](C(=O)NS(=O)(=O)c1c(C)noc1C)O2 408478948 FDFPVLIPFUVFJB-AWEZNQCLSA-N 350.396 1.799 0 40 FDAB CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N(C)Cc3nonc3C)cc21 72345813 ACHOPZCSDHSURN-OAHLLOKOSA-N 364.427 1.322 0 40 FDAB COc1ccc2nnc(CCC(=O)N3CCO[C@H](c4ccccc4)C3)n2n1 72404759 XYMAEVCHLMNJQF-HNNXBMFYSA-N 367.409 1.666 0 40 FDAB Cn1cc(Nc2cccc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)c2)cn1 572388921 ZLVRMJUGYXGBRM-AEFFLSMTSA-N 353.426 1.951 0 40 FDAB Cc1ccc(CCC(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1F 225678547 FWQBXXDCFUPUEE-UHFFFAOYSA-N 365.430 1.485 0 40 FDAB COC[C@@H](C)NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225742499 IBEQBLBOJJZVRK-SNVBAGLBSA-N 353.216 1.915 0 40 FDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106871 LFYFOPLUIGWPQV-MRXNPFEDSA-N 354.472 1.962 0 40 FDAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95480778 MGLJATXVQGKPIV-LBPRGKRZSA-N 362.405 1.986 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96228168 GBSRYPLTCGSMOX-UHFFFAOYSA-N 351.410 1.669 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2ccnn21 248095712 YAAGXENESFASQZ-CQSZACIVSA-N 351.410 1.708 0 40 FDAB O=C(COC[C@H]1CN(CC2CCOCC2)Cc2cncn21)N1CCCC1 247727109 DENGZKPMGGOVLJ-GOSISDBHSA-N 362.474 1.305 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCNC1 52093502 WLPOVCWEFMIOMI-MRVPVSSYSA-N 369.668 1.751 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cccc(CNC(C)=O)n1 257306261 STMXKSBIHYLNRQ-INIZCTEOSA-N 354.476 1.441 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ocnc3C)cn2)CC1 257239614 HQCXRYMNFKAYNZ-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CC(C)c1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)[nH]n1 257307767 TUASIZUESNGSIF-GOSISDBHSA-N 350.463 1.223 0 40 FDAB CNC(=O)c1cccc([C@H]2CN(C=O)CCN2C(=O)c2scnc2C)c1 257316811 VHCCUOQKYPVUPG-OAHLLOKOSA-N 372.450 1.467 0 40 FDAB CN(C)c1cc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 257335454 YKFPNDILJKAGRS-MRXNPFEDSA-N 352.504 1.709 0 40 FDAB NCc1cccc2c1N(S(=O)(=O)c1cnn([C@@H]3CCOC3)c1)CCC2 624388561 ADHGIUZLVKQIIT-OAHLLOKOSA-N 362.455 1.445 0 40 FDAB C[C@H]1C(=O)N(C)CN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 646125415 VCPUMRDWEJVYMV-QMMMGPOBSA-N 355.320 1.640 0 40 FDAB CC[C@H](CNC(=O)N1CCO[C@@H](C(=O)O)C1)Oc1ccccc1Cl 666535074 TTZGMFZIKVCBCJ-BXUZGUMPSA-N 356.806 1.992 0 40 FDAB CN1C[C@@H](NC(=O)CCc2nc3ccccc3o2)[C@H](c2cncn2C)C1 1775960071 QSRCVCKZHJRPKW-UKRRQHHQSA-N 353.426 1.708 0 40 FDAB Cc1ccc2c(c1)nc(CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1)n2C 294489733 YIOWXQJPDJPTSL-CQSZACIVSA-N 355.402 1.283 0 40 FDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 575402770 BTDBSANVFUBWEW-KRWDZBQOSA-N 355.442 1.914 0 40 FDAB COc1ccccc1C(=O)N1CCOC[C@@](O)(COc2ccccc2)C1 585272726 QIJXFTXVZYCHLU-HXUWFJFHSA-N 357.406 1.978 0 40 FDAB COC[C@]1(CC(N)=O)CN(Cc2cccc(Br)c2)CCO1 585278154 LZAFITWCUBRVSR-HNNXBMFYSA-N 357.248 1.542 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(C(=O)c1cncc(C)c1)CC2 585098287 SZVAIWLZFWEXHQ-CQSZACIVSA-N 371.441 1.109 0 40 FDAB Cc1nocc1C(=O)N1CCC2(CC1)COCCN(CCN(C)C)C2 585102461 SRELNQWASSDYFP-UHFFFAOYSA-N 350.463 1.099 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCCc2cn[nH]c2)CCO1 585276289 FWVRQUUJJWMVHJ-HXUWFJFHSA-N 357.454 1.873 0 40 FDAB CCNC(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1F 58331629 FDLYWSZBSYEWGJ-UHFFFAOYSA-N 353.213 1.345 0 40 FDAB Cc1ccc(CNS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)cn1 96005243 BEXONGYDQMWGBZ-KRWDZBQOSA-N 365.499 1.991 0 40 FDAB CCOC(=O)CN1CCC(O)(Cn2c(CC)nc3ccccc3c2=O)CC1 12187001 NAWSTBFFKMYJPN-UHFFFAOYSA-N 373.453 1.349 0 40 FDAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC(C)CC1 12602522 UVPFCOOBQTVCAY-OKZBNKHCSA-N 368.591 1.539 0 40 FDAB biogenic,in-vitro Cn1c(CN2CCOCC2)nc2cc(NC(=O)[C@@]3(C)CCCO3)ccc21 19461231 QNWCYJGUHNMGKP-LJQANCHMSA-N 358.442 1.913 0 40 FDAB Cc1c(C(=O)NCCSc2nccn2C)nnn1-c1ccccc1F 19557806 OTOKHWZXTXZDMT-UHFFFAOYSA-N 360.418 1.970 0 40 FDAB CC(=O)N[C@@]12CN(Cc3cccc4cccnc34)CC[C@@H]1CN(C(C)=O)C2 19713598 IKAKDCWNBJLLQT-TZIWHRDSSA-N 366.465 1.794 0 40 FDAB Cc1cc(C(=O)NCCCN2CCC(C(N)=O)CC2)nc2ccccc12 19716873 SNZXATRKLRDYTR-UHFFFAOYSA-N 354.454 1.860 0 40 FDAB N[C@@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 101273550 WEKRWNXUMVTXMR-CBAPKCEASA-N 363.222 1.770 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1 4119761 OUHWNHUHPJBPNC-UHFFFAOYSA-N 355.485 1.892 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 15756841 QETXYQTUGHILPK-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB O=C(CNc1ccccn1)N1CCC[C@@](O)(Cn2cnc3ccccc32)C1 19376682 URIWQTWMKZSJQE-FQEVSTJZSA-N 365.437 1.897 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)c(C)c1 22999761 SOUBFGKOYOVMGD-UHFFFAOYSA-N 353.488 1.964 0 40 FDAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 3493338 KWQIZDLXNFTXPA-GFCCVEGCSA-N 353.835 1.703 0 40 FDAB Cc1cnn(-c2cc(NCc3ccnc(N4CCOCC4)c3)ncn2)c1 1888897022 JATPNPAWEDPXRZ-UHFFFAOYSA-N 351.414 1.814 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)cs1 1614946743 CKCWHQMAXWVQPT-CYBMUJFWSA-N 351.472 1.987 0 40 FDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCCC1 12440169 SSERUVUGSOCXFF-UHFFFAOYSA-N 351.410 1.985 0 40 FDAB COCC(=O)N1CCc2cc(C(=O)OC)c(-c3cccnc3)nc2CC1 2055772992 HGYDOPLSJHIUNU-UHFFFAOYSA-N 355.394 1.504 0 40 FDAB Cc1csc(C(=O)N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)c1 2055839597 YHVFGRJFHQUGSW-CQSZACIVSA-N 366.483 1.925 0 40 FDAB O=C(Cn1ccc2ccccc21)N1CCN(c2cc(O)nc(O)n2)CC1 1775968077 NOEQUNZAPBORNC-UHFFFAOYSA-N 353.382 1.191 0 40 FDAB O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134432 SPKKUKDBHXLUIF-UHFFFAOYSA-N 356.361 1.352 0 40 FDAB Cc1cc(O)c(C(c2cccnc2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 7570815 YENKOAGELVDACB-UHFFFAOYSA-N 367.405 1.687 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNCc3ccccc3)c3nccnc23)C1 72391603 CURGOZDONJWGHF-QGZVFWFLSA-N 364.453 1.952 0 40 FDAB COC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 20079778 COHGZPPGUHDPEA-UHFFFAOYSA-N 369.425 1.676 0 40 FDAB aggregator O=C(CN(Cc1ccccc1)Cc1ccco1)N[C@@H]1CCS(=O)(=O)C1 40161540 HBSGQWJDRMFHHV-MRXNPFEDSA-N 362.451 1.585 0 40 FDAB CCCn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 20756916 LQQNNSVANBVDRF-MRXNPFEDSA-N 370.409 1.377 0 40 FDAB biogenic CC(=O)NCc1ccc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1 32747381 WNADQQIYSFAFMT-UHFFFAOYSA-N 365.389 1.996 0 40 FDAB Cc1ccc(OCCNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 32999706 YJJWYJMHNUMODH-HNNXBMFYSA-N 362.451 1.857 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 102848791 SOGBUEKHMJHDBW-OKILXGFUSA-N 358.394 1.962 0 40 FDAB CNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 53705782 CGGNKTQNFGUAGY-HNNXBMFYSA-N 364.401 1.900 0 40 FDAB CC(C)(C)Oc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 79505663 LOFMGWMGNVZBOZ-UHFFFAOYSA-N 359.470 1.900 0 40 FDAB COc1ccc(Br)c(C(=O)OCC(=O)N2CCCC2=O)c1 3411765 LZDAVNYSXQETHK-UHFFFAOYSA-N 356.172 1.764 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4568605 GSMXLTSOBIPTTL-GFCCVEGCSA-N 360.863 1.503 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1 4937652 RDZRICMMRASSSB-UHFFFAOYSA-N 350.444 1.019 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1ccc(F)cc1F 42885303 YAZWQJZTOUZAPT-OAHLLOKOSA-N 367.396 1.554 0 40 FDAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCSC[C@@H]32)C1=O 25185412 GIRIPXULADFCFG-RDTXWAMCSA-N 359.451 1.638 0 40 FDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2OC)c1 51357046 BEKAWUACOBYWCH-UHFFFAOYSA-N 357.362 1.955 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cnn(C)c1 25308314 BSMBDJANELUHLK-UHFFFAOYSA-N 353.308 1.675 0 40 FDAB CC(C)NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57507036 UYTJXTLBYNMSQA-UHFFFAOYSA-N 353.473 1.540 0 40 FDAB CCS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 58048880 ZDQKPXAUPLUTLL-UKRRQHHQSA-N 372.874 1.574 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC(F)F)cc1 10114633 CZVQRTBWVUHSHF-UHFFFAOYSA-N 356.350 1.865 0 40 FDAB NC(=O)CN1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 58183083 BJTBDNWAKISYRN-UHFFFAOYSA-N 359.348 1.147 0 40 FDAB C[C@@H]1C[C@H](OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C(=O)O1 12799405 SKBFQJHAIVOISR-BMIGLBTASA-N 369.329 1.937 0 40 FDAB CC(C)N(C)S(=O)(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 58561256 PQGYITJNERLCFL-SFHVURJKSA-N 368.547 1.540 0 40 FDAB COc1ccnc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(OC)ccn2)c1 84638227 YSWMBVVHSQJODJ-GFCCVEGCSA-N 358.398 1.384 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCCC1 36389651 ODXRVLRYFWZQCI-UHFFFAOYSA-N 369.462 1.145 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccnc(OC)c2)c1 36692913 BHYNCCGXCRDCCC-UHFFFAOYSA-N 363.439 1.627 0 40 FDAB Cc1nonc1CC(=O)N1CCC(c2cc3nc(C)c(C)c(O)n3n2)CC1 100137320 FAPJMQAFUWJJPP-UHFFFAOYSA-N 370.413 1.692 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(CO)cc2)cc1 3418720 RBWFYRSWSSOKNI-UHFFFAOYSA-N 370.405 1.741 0 40 FDAB Cc1ccc(-c2nc(C)c(C(=O)NCCS(N)(=O)=O)s2)c(C)c1 63810364 ZYJRJTKNRFVAPC-UHFFFAOYSA-N 353.469 1.754 0 40 FDAB Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O 5000052 BLIOCQWPJOTRFG-UHFFFAOYSA-N 357.797 1.670 0 40 FDAB CCn1nc(C(=O)O[C@H](C)C(=O)NCc2ccco2)c2ccccc2c1=O 4525372 NAQMLBKEPRHBHM-GFCCVEGCSA-N 369.377 1.871 0 40 FDAB Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n2ncnc2n1 14247518 HRZKZRXAVCBWMM-UHFFFAOYSA-N 364.456 1.005 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCCc2ccccc2)CC1 4696041 MEWQLPOXYNRGDT-UHFFFAOYSA-N 360.454 1.927 0 40 FDAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1 5938333 NREYWWANLXXSRN-UHFFFAOYSA-N 368.480 1.736 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 9466377 QGKZGQNGQWOAQR-SFHVURJKSA-N 359.382 1.441 0 40 FDAB Cc1cc(C)n2nc(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)nc2n1 15815406 KGSYDAHEJXQDIJ-UHFFFAOYSA-N 359.411 1.705 0 40 FDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 71768193 LXCDLWPHDUFDFM-UHFFFAOYSA-N 351.397 1.911 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)ccc1O 7778000 CJRPGLQWAZMFRV-SNVBAGLBSA-N 365.363 1.209 0 40 FDAB Cc1cc(NC(=O)[C@@H](OC(=O)c2nccnc2N)c2ccccc2)no1 16119803 SMFVTHCNXRCYHD-AWEZNQCLSA-N 353.338 1.892 0 40 FDAB Cc1[nH]n2c(n/c(=N\[C@H]3CCS(=O)(=O)C3)c3ccccc32)c1Cl 9603126 LOFIXHQHERWVHQ-PXAAABLISA-N 350.831 1.865 0 40 FDAB CN(C)Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O 8733874 MLAWFZCYLVFRIW-UHFFFAOYSA-N 351.410 1.170 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCCCC3)n2N)n1 18804947 NPIGXFYHNZZSCP-UHFFFAOYSA-N 363.491 1.726 0 40 FDAB CCN(CC)CCCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 9763474 AXXQRWAYPODMEX-UHFFFAOYSA-N 374.529 1.964 0 40 FDAB Cc1ccc(C)c(N2N=C(C(=O)Nc3[nH]ncc3C(N)=O)CCC2=O)c1 72311462 UCBCFRCRZXJWPO-UHFFFAOYSA-N 354.370 1.247 0 40 FDAB C[C@H](O)CC(C)(C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 95462001 SKRKFWFBDFXCJR-JTQLQIEISA-N 367.464 1.305 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@@H]2COCc1ccccn1)C(F)(F)F 306139598 TVPFGYZOAHVDAD-LLVKDONJSA-N 366.361 1.539 0 40 FDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([S@](C)=O)cc1 89840231 WVKSVDZLBOVKJT-LFVRLGFBSA-N 354.497 1.711 0 40 FDAB O=C1CN(CCS(=O)(=O)c2ccccc2)C2(CCCCC2)C(=O)N1 89847689 BHAQPBCJEBIQLE-UHFFFAOYSA-N 350.440 1.122 0 40 FDAB C/C(NCCc1c[nH]cn1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 25183220 FITNLAVSRGSANF-NTCAYCPXSA-N 353.382 1.407 0 40 FDAB COc1ccccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 306129475 IEHCDDVCOUWOMY-NLWGTHIKSA-N 367.449 1.967 0 40 FDAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 118915309 AODPIQQILQLWGS-LJWWCCFQSA-N 366.498 1.653 0 40 FDAB in-vitro O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 170609949 KYKUIYWAQVIUIM-RRFJBIMHSA-N 353.422 1.798 0 40 FDAB Cc1nc2ccccc2nc1COC(=O)c1ccc(S(N)(=O)=O)cc1 39580340 ZIMIHNQPOYMTTA-UHFFFAOYSA-N 357.391 1.943 0 40 FDAB O=C(O)c1ccc(NCc2ccccc2)c(S(=O)(=O)NCCCO)c1 217461893 MHOAWMVMERUBGI-UHFFFAOYSA-N 364.423 1.658 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cn1 551816516 LRVACRLLFDUPGL-UHFFFAOYSA-N 358.379 1.314 0 40 FDAB COc1ccc([C@@H]2C[C@H](C(=O)NC3CCCC3)N(C)S(=O)(=O)N2)cc1 72389501 AUMAIHJCELHUPL-JKSUJKDBSA-N 367.471 1.334 0 40 FDAB O=C1CC[C@@H](N2CCN(c3nc(-c4ccccc4)ns3)CC2)CCN1 562705505 IDMVDIVCBYSOMK-OAHLLOKOSA-N 357.483 1.996 0 40 FDAB O=C(NCc1ccccc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436106 QVDRDCDPIBGGFJ-QGZVFWFLSA-N 358.442 1.497 0 40 FDAB biogenic,in-vitro O=C(Cc1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224319011 XHYZMRIERRSYKF-UHFFFAOYSA-N 367.453 1.205 0 40 FDAB O=C(NCc1ccco1)c1cnc(O)n(Cc2ccc3c(c2)OCO3)c1=O 77099327 WOEYNZXHBBPLCJ-UHFFFAOYSA-N 369.333 1.249 0 40 FDAB COc1cncc(O[C@@H]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)C2)n1 225393271 QTJYMFBHOZDRKQ-CQSZACIVSA-N 373.409 1.725 0 40 FDAB Cn1cc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)nn1 238913887 SKAMHWRPQGSJIK-UHFFFAOYSA-N 357.443 1.666 0 40 FDAB Cc1nnc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1C1CC1 579504798 ZGCGWZHVUKSPDE-RDTXWAMCSA-N 355.446 1.249 0 40 FDAB CO[C@@H]1COC[C@H]1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 580774876 BVAZQBILRZIBAD-BZUAXINKSA-N 354.397 1.674 0 40 FDAB CCOc1ncccc1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583618933 JOYCVDXFQYJEEM-SFHVURJKSA-N 359.430 1.777 0 40 FDAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)o1 248035463 MRTUZZZMFGNNNK-HNNXBMFYSA-N 358.442 1.733 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245229868 HSGRKWCSKYMMPD-UIVXKWKOSA-N 374.437 1.673 0 40 FDAB Cn1cc(CN2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)cn1 248141189 QESQRGGAOVZFFV-OALUTQOASA-N 374.510 1.598 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCNC[C@@H]1C(F)F 585088570 XSLYBVILJZWVCJ-GFCCVEGCSA-N 355.776 1.908 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccc(C)o1)CC2 248125586 WVJMSMVVHFUUDS-HNNXBMFYSA-N 356.488 1.708 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 257238887 HMYXWONGDMIFCJ-CYBMUJFWSA-N 356.426 1.138 0 40 FDAB Cc1ccn(C[C@@H](C)NC(=O)c2cn(C[C@H](O)c3cccs3)nn2)n1 85470499 YCAGYQFHKFOPTH-OCCSQVGLSA-N 360.443 1.397 0 40 FDAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CNC(C)=O)CCO2)n1 257218043 DBPWXZXYWXXDMU-QGZVFWFLSA-N 372.425 1.643 0 40 FDAB CC(C)CCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381833 QUPKTSPYRHOXQK-LJQANCHMSA-N 357.498 1.944 0 40 FDAB biogenic,in-vitro Cc1n[nH]c(C)c1-c1cnc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257236840 HDZYUDSYGGVSQD-CYBMUJFWSA-N 364.475 1.469 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)on1 253600467 QMKJRSIOIXJSTE-CYBMUJFWSA-N 354.428 1.039 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)CC1 257262234 LKRLJWKRLBKTBE-BFYDXBDKSA-N 358.486 1.986 0 40 FDAB CCN1CC2(CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)[C@H]2COC[C@H]21 1775960924 XRMXTBQUIRLUKU-SMDDNHRTSA-N 354.401 1.920 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3cc(CO)c(F)cn3)CC2)O1 1775957555 APRZDTQULSDDGQ-JKSUJKDBSA-N 351.422 1.565 0 40 FDAB CNC(=O)c1cccc(CCNC(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)c1 623649926 RICVXGWNYWRYTH-FZMZJTMJSA-N 373.375 1.950 0 40 FDAB CCCN1CC[C@@H](NS(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)C1 625284014 MTSBCZBTUAJZKB-SJORKVTESA-N 358.479 1.787 0 40 FDAB CN([C@H]1CCOC1)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 645964047 KQRAXGXMPAMPTP-QMMMGPOBSA-N 353.318 1.813 0 40 FDAB O=C(N[C@H]1CCCNC1=O)c1cnn2c(-c3ccc(F)cc3)ccnc12 585171878 SDOHYTMEXFBZOJ-AWEZNQCLSA-N 353.357 1.544 0 40 FDAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccccc3C)CC2)CCO1 585286410 OOBLAMJNBFGZEP-LJQANCHMSA-N 361.486 1.163 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656029 JQCIPIRGELUMHC-CHWSQXEVSA-N 372.454 1.027 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@@H]3C2)c1C 585615121 JXAQZKGVAACTEL-GJZGRUSLSA-N 352.442 1.902 0 40 FDAB Cc1nnc([C@H](C)N2C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C2)s1 1615999771 ZFLYGBZEKUZHKN-HGNGGELXSA-N 372.438 1.662 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)c1 1615160931 URLRIPJTDVJFCP-LJQANCHMSA-N 354.410 1.458 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 12188451 JWBBPQNPFURXMF-PBHICJAKSA-N 365.455 1.276 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nn12 12820377 UNOAEHHHMKEMPN-JTQLQIEISA-N 350.338 1.587 0 40 FDAB O=C(CCN1C(=O)S/C(=C/c2ccco2)C1=O)NCCc1cnc[nH]1 13569207 XAFOYEVKLVEXFX-MDWZMJQESA-N 360.395 1.788 0 40 FDAB CCOC(=O)Cc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 13611379 FBDNXSLSLUCVHD-UHFFFAOYSA-N 356.426 1.511 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 15279123 BLXDXTADJXLQCU-UHFFFAOYSA-N 374.374 1.469 0 40 FDAB COCC(=O)N1Cc2c(ncn2Cc2ccc(OC)cc2)C[C@H]1C(=O)OC 15676426 OQQGDLHSCJKHGA-INIZCTEOSA-N 373.409 1.013 0 40 FDAB biogenic,in-vitro Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 18133484 MAKXLTTZDPTWKP-UHFFFAOYSA-N 354.410 1.080 0 40 FDAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)COc1ccccc1)C2 19708623 KIXJRRHTDJJCLW-INIZCTEOSA-N 367.453 1.907 0 40 FDAB CN1CCN(C(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)CC1 19819704 KAIZBXNDTQERFU-UHFFFAOYSA-N 371.890 1.658 0 40 FDAB CN1CCN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 19841062 TXNRHRZAGNKBQL-UHFFFAOYSA-N 362.449 1.029 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(N)=O 3438009 OIFLCAWVKAXXDO-GFCCVEGCSA-N 354.428 1.282 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888899167 PUGOLKXQANAUBV-GJZGRUSLSA-N 372.450 1.168 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889148791 NFWMZCBGXKWEDO-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB COCCC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037839906 FCIFVTJJICUFLL-SFHVURJKSA-N 350.390 1.587 0 40 FDAB CN(C1CCN(CC(=O)Nc2ccc(F)cc2)CC1)S(=O)(=O)C1CC1 2087068930 IGPSPPWLYNIXSP-UHFFFAOYSA-N 369.462 1.653 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(F)cc3)ccc2c1=O 6732969 RYGRKRZWTQSWQL-UHFFFAOYSA-N 371.368 1.405 0 40 FDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 11796155 VABLRTSKEGTZNO-UHFFFAOYSA-N 369.462 1.194 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cccn1C 11898917 CNOISJQHKLGAQP-HNNXBMFYSA-N 372.425 1.154 0 40 FDAB Cc1ncsc1CN1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055746473 KVERQPXPOBMHEL-UHFFFAOYSA-N 362.503 1.720 0 40 FDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2O1 2055717919 GDBHPNSTRXORDP-ZKYQVNSYSA-N 362.817 1.353 0 40 FDAB CCc1ccc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)cn1 2055793334 QLBOKVKQSXRGQU-LPHOPBHVSA-N 374.441 1.202 0 40 FDAB Cc1csc(C(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)c1 2055814229 UGQSPRHYLVAKSF-GOSISDBHSA-N 373.482 1.353 0 40 FDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CO1 2055835384 SOBPARODVZPKCA-INIZCTEOSA-N 362.474 1.664 0 40 FDAB CCOc1ccc(Cc2n[nH]c(NCCCN3CCOCC3)nc2=O)cc1 22996442 GNUJYTJLEFRBMT-UHFFFAOYSA-N 373.457 1.289 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 43955093 ZZCLBKQUSFQTIM-UHFFFAOYSA-N 350.444 1.881 0 40 FDAB Cc1cc(OC2CN(C(=O)CSCc3ccccc3)C2)n2ncnc2n1 618255982 LWSVYMXVUZASKR-UHFFFAOYSA-N 369.450 1.956 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(N)=O)C1 41132596 CECSEIBMABSNSX-HIFRSBDPSA-N 359.426 1.024 0 40 FDAB C[C@H](OC(=O)c1ccc(N(C)C)nc1)C(=O)NC(=O)NC1CCCCC1 32831412 KNMNAVQTBGKCCF-LBPRGKRZSA-N 362.430 1.851 0 40 FDAB O=C(Nn1cnc2ccc(Cl)cc2c1=O)[C@H]1COc2ccccc2O1 32842982 ULTCIBWKTLPTTK-OAHLLOKOSA-N 357.753 1.960 0 40 FDAB CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 53268615 FJDMANABTQIVNA-CYBMUJFWSA-N 357.476 1.997 0 40 FDAB Cc1nn2c(SCC(=O)Nc3cccc(Cl)c3)nnc2[nH]c1=O 4251389 DLWSWYDPVFGAMD-UHFFFAOYSA-N 350.791 1.505 0 40 FDAB Cn1ncc2c(=O)n(C[C@@H](O)COc3ccccc3C(C)(C)C)cnc21 42758279 CWLLEFJURJGZKN-CYBMUJFWSA-N 356.426 1.867 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c1 12529762 MRCXDXLKKHMIIX-OAHLLOKOSA-N 370.331 1.558 0 40 FDAB CCOc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 56137851 KFHVRVAWNLYMLB-UHFFFAOYSA-N 374.418 1.546 0 40 FDAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12686723 SNEKOYWIAQHPIO-GFCCVEGCSA-N 353.469 1.125 0 40 FDAB COCCn1cc(NC(=O)NCc2ccc(C(=O)NC3CC3)cc2)cn1 58161612 DGHRCSSAKODHPY-UHFFFAOYSA-N 357.414 1.743 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1 22915276 AMTZMMJOIHPIIB-QGZVFWFLSA-N 358.486 1.562 0 40 FDAB NC(=O)c1csc(C(=O)NCCc2cc(F)cc3c2OCOC3)c1 53502271 GFNDZSPWSUPWCF-UHFFFAOYSA-N 350.371 1.825 0 40 FDAB CCOC(=O)N1CCN(C(=O)Nc2ccccc2N2CCOC2=O)CC1 58330265 LISWJRPUAIBRMH-UHFFFAOYSA-N 362.386 1.949 0 40 FDAB CCOC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 58306108 FAUHZOBGUSDICK-JTQLQIEISA-N 352.416 1.381 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)C(=O)NC2=O 2208571 QOAWZOPXTLVVIY-KRWDZBQOSA-N 354.318 1.869 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21 2218115 XBJYQVZARABRIJ-UHFFFAOYSA-N 373.434 1.642 0 40 FDAB COc1ccc(-c2csc3ncn(CC(=O)NC(N)=O)c(=O)c23)cc1 12770141 FLVUSGTWBCGKAW-UHFFFAOYSA-N 358.379 1.329 0 40 FDAB COc1cccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c1 57521528 DSPZJJBYFMGHRW-UHFFFAOYSA-N 372.450 1.987 0 40 FDAB NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2c(Cl)cccc21)C(=O)O 36366776 NVURFDNQQKRKKX-GFCCVEGCSA-N 366.805 1.313 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(-c2nnco2)ccc1=O 58175748 PKUKRBUGKCROQC-YPMHNXCESA-N 359.386 1.303 0 40 FDAB CC1CCN(CCNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 48354851 QDIBBTHTJZGCNC-UHFFFAOYSA-N 358.417 1.833 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C2=O 2649439 XDMMFHIIIHCUAP-VOJFVSQTSA-N 358.398 1.225 0 40 FDAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118915311 FFPUNPBUZDTHJI-CFOIAZRCSA-N 368.514 1.445 0 40 FDAB in-vitro CCC1CCC2(CC1)NC(=O)N(CN(CC)[C@H]1CCS(=O)(=O)C1)C2=O 12936568 VIHCVPGNQAKKHG-UUCFBXCCSA-N 371.503 1.344 0 40 FDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCCCC[C@@H]32)C1=O 3985041 PPWJIYKQAJPIBV-OAHLLOKOSA-N 356.426 1.611 0 40 FDAB biogenic COc1cccc(C(=O)NCC(=O)NC[C@H](C)CC2(C)OCCO2)c1 96008079 RKLKPBLAPOJVEN-CYBMUJFWSA-N 350.415 1.330 0 40 FDAB O=C(CCc1cscn1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005241 PMUPGIQZTLKTLS-OAHLLOKOSA-N 371.528 1.929 0 40 FDAB CCN(Cn1nc(-c2cccnc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 14250252 LPPVKVZJSDQZHR-ZDUSSCGKSA-N 367.500 1.480 0 40 FDAB Cc1noc(CNC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n1 66205684 RKWLFCTUAFYGBQ-UHFFFAOYSA-N 357.414 1.790 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)OCCOc2ccc(F)cc2)C1=O 7600113 YHTJHTLHCYCNEK-UHFFFAOYSA-N 352.362 1.858 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)NC(C)(C)C1=O 8194569 QECCPSOXAKEFTJ-GFCCVEGCSA-N 360.414 1.181 0 40 FDAB CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CCOC3)cc2)CC1 84697975 DYGZAXPQKOPLPW-OAHLLOKOSA-N 373.453 1.650 0 40 FDAB COC[C@H](CCO)NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 84185401 DUVQOMQGYIDKHB-ZDUSSCGKSA-N 351.378 1.630 0 40 FDAB CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(OCC(N)=O)cc1)C2 95367590 OBATUOWPNWVGIY-UHFFFAOYSA-N 367.405 1.708 0 40 FDAB O=C(NCc1ccnc(-n2cccn2)c1)N1CCC[C@@H]1CN1CCOCC1 73625521 WTTDTHLDETYVDQ-QGZVFWFLSA-N 370.457 1.274 0 40 FDAB C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@@H](C(=O)O)O1 95991964 JLXNOTDLQBJJGI-DOMZBBRYSA-N 351.374 1.574 0 40 FDAB CN(C)c1ncnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1N 75103622 NGJLJFPAKDQDDX-OAHLLOKOSA-N 360.437 1.749 0 40 FDAB CCOc1ccc(C[C@H](CNc2ccc3nnnn3n2)C(=O)OC)cc1 506766659 IBLVXNLIGUNMBD-CYBMUJFWSA-N 356.386 1.362 0 40 FDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cnccc2N(C)C)n1 512496498 LHPDXUMRPCFFTP-HOTGVXAUSA-N 373.480 1.710 0 40 FDAB CCN(C(=O)Cn1ncn2nc3c(c2c1=O)CCCC3)c1ccccc1 72328543 OZLZKJASXODCNH-UHFFFAOYSA-N 351.410 1.823 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641371 ZPHPTHUEDKGWNP-UKRRQHHQSA-N 353.440 1.196 0 40 FDAB COc1ccccc1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 216273243 OHDVOHFNHUHPKS-HNNXBMFYSA-N 369.487 1.172 0 40 FDAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCN(CCO)CC2)cc1 40373327 COCHRAKHIWWEBX-LJQANCHMSA-N 366.502 1.176 0 40 FDAB Cc1oc2ccccc2c1CCNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 575150211 HQEKQQLQFXMOPU-LJQANCHMSA-N 370.409 1.619 0 40 FDAB O=C(NCCCCCc1nnc2ccccn12)c1ccc2nnnn2c1 96223806 DKSHXATZUMFCMI-UHFFFAOYSA-N 350.386 1.310 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCN(C(=O)N3CCCC3)C2)C1 96225830 YNIPTBPSBULYAQ-GOSISDBHSA-N 357.414 1.134 0 40 FDAB CN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccc(F)cc2)C3)CC1 96058581 ODUSQLSCXLAZCB-UHFFFAOYSA-N 357.433 1.495 0 40 FDAB Cn1cc(C(=O)N2CC[C@]3(CCC[C@H](CNc4ncccn4)O3)C2)cn1 96220579 KCSXXIURNSFYDL-CRAIPNDOSA-N 356.430 1.476 0 40 FDAB Cc1cn2c(CN[C@H]3CCCN(c4nccn(C)c4=O)C3)c(C)nc2s1 583621985 CEINJOIGFWTHAC-AWEZNQCLSA-N 372.498 1.865 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3cnoc3)CC2)CN1c1ncccn1 96217973 QKPXZCYZDYJNMD-OAHLLOKOSA-N 357.414 1.612 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)C2)n1 332411503 KHLRGNBKQNEOHG-LBPRGKRZSA-N 358.402 1.886 0 40 FDAB O=C(Nc1nc[nH]n1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 95473036 SMOPPTIEMCEPCN-UHFFFAOYSA-N 352.398 1.960 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 96066388 VVZZDDMTOZQSFX-BRWVUGGUSA-N 353.426 1.737 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCc2cccc(C)c2)cc1OC 244431824 YYJMLZQCNQBUOU-UHFFFAOYSA-N 356.422 1.987 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230810 ZHTHIOFSQYRLSB-NPSOMJIGSA-N 364.829 1.927 0 40 FDAB O=C(C[C@@H]1CN(c2ncc(F)cn2)Cc2ccnn21)NCC1CCOCC1 247855055 KDCJCCFZFVLDFT-MRXNPFEDSA-N 374.420 1.306 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3ccc(C)n(C)c3=O)C2)ncn1 257293473 QPOOWLRRVIFOSN-HNNXBMFYSA-N 356.426 1.123 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1Cl 257262364 LLDBEIUIVWEDSM-PBHICJAKSA-N 368.861 1.765 0 40 FDAB CC(=O)N1CCC(C(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)CC1 257246858 IWDGCAOQLVONOA-IXDOHACOSA-N 357.458 1.384 0 40 FDAB Cn1cc([C@@H]2CCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)C2)cn1 604776994 UOSSCOYQTNLNQF-CQSZACIVSA-N 371.441 1.817 0 40 FDAB O=C(O)c1cccc(CCNS(=O)(=O)c2ccc3c(c2)CCCO3)n1 281845151 LUZSOIIGJZMCSL-UHFFFAOYSA-N 362.407 1.626 0 40 FDAB CCO[C@H](CS(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1)C1CC1 606444802 YNSLKEORHXLMNQ-WTTBNOFXSA-N 361.504 1.790 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCn2c(cnc2C(F)(F)F)C1 1648162866 CYJREAUDYZGQRL-UHFFFAOYSA-N 350.304 1.689 0 40 FDAB C[C@H]1C[C@@H]1c1nnc2ccc(=NCCOc3ccc(C(=O)O)cc3)[nH]n12 649401137 UYIALMSEDHOXFY-FZMZJTMJSA-N 353.382 1.859 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Cl)c(C)c2)CCO1 681943381 MJMOMSUNUFKEFX-CQSZACIVSA-N 368.817 1.423 0 40 FDAB CCN(C)[C@@H]1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 1230599922 BWVOSOFCUAANMV-CYBMUJFWSA-N 374.532 1.104 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@H](COc2ccccn2)C1 575405387 SCIQMYLYVFAAMU-HNNXBMFYSA-N 371.422 1.498 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](O)C2)C3)[nH]1 585103170 FBZCCLZKTVOZCZ-JKSUJKDBSA-N 362.474 1.186 0 40 FDAB CS(=O)(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 96366131 XVDWPBUPWLOTJP-UHFFFAOYSA-N 351.468 1.770 0 40 FDAB CCc1nn(C)c(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c1C 12235092 ZALRZMCCVUNTEO-UHFFFAOYSA-N 370.457 1.116 0 40 FDAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)Cc3nonc3C)cc2n1 12276513 INCNLZCMBXLYGR-AWEZNQCLSA-N 356.386 1.595 0 40 FDAB CCOC(=O)c1ccc2c(c1)n(CC(=O)c1ccc[nH]1)c(=O)c(=O)n2CC 12687175 BFNPJCVTVUUPGH-UHFFFAOYSA-N 369.377 1.571 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCc1cccs1 12735538 GAOFJGPEVOVVSQ-UHFFFAOYSA-N 371.466 1.798 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccc(Cl)cc2)n1 13960286 LNQCOWBRLPLHHH-CRWXNKLISA-N 358.785 1.647 0 40 FDAB Cn1nc(C2CCN(C(=O)CCN3CCOCC3)CC2)c2cccnc21 19289511 KWMMSDWSNHTSIO-UHFFFAOYSA-N 357.458 1.397 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)c3oc(C)nc3C)CC2)cn1 19749057 CWQQQMZXZPERGF-CQSZACIVSA-N 357.414 1.815 0 40 FDAB COc1ccc2cnn(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)c(=O)c2c1OC 169680715 UQAGHUKJCHLUCS-NFAWXSAZSA-N 369.421 1.742 0 40 FDAB O=C(COc1ncccn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585962 ITQLODQERWLYCM-GPMSIDNRSA-N 355.394 1.001 0 40 FDAB O=C(N1CCOCC1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888870269 SXQONSIWUJXLCZ-UHFFFAOYSA-N 374.416 1.700 0 40 FDAB Cc1nc(C)c(C)c(N2CCN(c3nc4ccccc4c(=O)n3C)CC2)n1 1888876506 OLVKUPRENVXJDP-UHFFFAOYSA-N 364.453 1.975 0 40 FDAB CCN=c1nc(N2CCN(c3ncnc4ccsc34)CC2)cc(C)[nH]1 1889148877 GSPHXBBAUKDEOW-UHFFFAOYSA-N 355.471 1.970 0 40 FDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 2720160 ZAMVFEWWXSDLGA-UHFFFAOYSA-N 350.400 1.669 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)N1CCCC1 4341810 JFBNFCYNZSQFNG-UHFFFAOYSA-N 358.789 1.253 0 40 FDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cccc(Cl)n1)C2 2055782147 RDUKHYKTFXJSCC-CXAGYDPISA-N 367.833 1.119 0 40 FDAB CN1CCC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 22999046 QGHDDASLZPVJKY-UHFFFAOYSA-N 359.348 1.982 0 40 FDAB O=S(=O)(NCC1CCN(c2ncccn2)CC1)c1c(F)cccc1F 43955481 LWHIRUFTNJWGQM-UHFFFAOYSA-N 368.409 1.950 0 40 FDAB COc1ccc(CCNC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)cc1OC 575621157 VMGFCNMZXRLNRX-CYBMUJFWSA-N 371.437 1.669 0 40 FDAB NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 40158570 CXGDXPDGGSZKLC-HNNXBMFYSA-N 370.409 1.098 0 40 FDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccs1 20725956 ADCQNXNLGKPBAX-ZDUSSCGKSA-N 357.435 1.647 0 40 FDAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCS(=O)(=O)C1 32796679 JVEJDAMDGPKTQL-GFCCVEGCSA-N 356.407 1.794 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 32916418 BIZMDMTZVWYVHN-LLVKDONJSA-N 352.865 1.042 0 40 FDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 32916583 AERVEPZASZQDFA-CYBMUJFWSA-N 356.492 1.386 0 40 FDAB O=C(NCCCNC(=O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1 22470782 QKULDGQLLDUMCA-UHFFFAOYSA-N 368.368 1.612 0 40 FDAB COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1 781925 DPYDAGGZNXKDRM-UHFFFAOYSA-N 365.411 1.705 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCCCc2ccccc2)C1 79940149 KQTFEDJUUUPDQF-IAGOWNOFSA-N 366.483 1.607 0 40 FDAB Cc1ccccc1[C@H](OC[C@H](O)CN1CCNC(=O)C1)c1ccccc1 23389903 XAIYUULBXAOGRV-WIYYLYMNSA-N 354.450 1.894 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 3370753 IMNMEQYHDWEGOV-UHFFFAOYSA-N 362.407 1.449 0 40 FDAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 54727525 WDTOHQSKLFKUAX-QGZVFWFLSA-N 372.446 1.971 0 40 FDAB Cc1c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)oc2ccccc12 24115724 WUKZILWTGCAIJJ-CQSZACIVSA-N 362.451 1.686 0 40 FDAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NCc1ccccc1 34873213 ZMHGVAHZZVMZSK-UHFFFAOYSA-N 370.428 1.974 0 40 FDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2 107263521 FYYSUCJRAQUMDP-CWRNSKLLSA-N 370.446 1.376 0 40 FDAB COc1ccc(CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)cc1 57944160 DUKJTTUGPWVNBC-UHFFFAOYSA-N 351.366 1.531 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)NCC1(c2cc(C)ccc2OC)CCOCC1 58162993 FPVHMXMGDUBJSK-CQSZACIVSA-N 363.458 1.486 0 40 FDAB Cc1nc2ccccc2c(=O)n1C[C@H](O)COc1ccc2c(c1)OCO2 58162820 HTEWUFZUKKDDLB-ZDUSSCGKSA-N 354.362 1.874 0 40 FDAB CCN(CC)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccco1 58325849 FDZBMUITEVFHRG-UONOGXRCSA-N 374.528 1.699 0 40 FDAB COc1ccccc1N1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 36360257 ZBSOTGWFDPFFGB-UHFFFAOYSA-N 370.457 1.690 0 40 FDAB Cn1cc(C(=O)NC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cn1 48356026 IBFHENRKLHIACR-UHFFFAOYSA-N 352.398 1.331 0 40 FDAB Cc1ccc(OCCC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)c1 29825393 LTVWNVSQKSOUQD-UHFFFAOYSA-N 354.472 1.613 0 40 FDAB CCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904679 QJBHBAXHQAPLIH-UHFFFAOYSA-N 360.457 1.058 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1 60535325 UCZFYDONHOQJLV-UHFFFAOYSA-N 369.465 1.696 0 40 FDAB CCCn1c(=O)n(CC(=O)N[C@@H](C)CN2CCOCC2)c2ccccc21 46884320 MRMHFIHDNITYNZ-HNNXBMFYSA-N 360.458 1.050 0 40 FDAB COCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 12910599 RACSQWJYBVUWFY-UHFFFAOYSA-N 369.215 1.588 0 40 FDAB NS(=O)(=O)c1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647910 LWWMHQGGNDPHDB-ZDUSSCGKSA-N 363.420 1.972 0 40 FDAB CCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 9051931 VDFCZQXVEKKDLV-UHFFFAOYSA-N 368.187 1.337 0 40 FDAB O=C(Nc1nccs1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13690811 GBDAQYKWOXWCMU-JTQLQIEISA-N 366.468 1.830 0 40 FDAB CC(C)Oc1ccc(C(=O)COC(=O)CSc2nnnn2C)cc1 9194164 PYGCOWJKUNSQHV-UHFFFAOYSA-N 350.400 1.516 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)CSC(=S)N2CCCC2)c1 5286918 BLQVQOUAFYNRNN-UHFFFAOYSA-N 359.498 1.386 0 40 FDAB COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408607829 QNTTZVMXXDZYII-KRWDZBQOSA-N 362.451 1.339 0 40 FDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 4514619 UKIFOPGGIMBZQX-MRXNPFEDSA-N 355.341 1.581 0 40 FDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc2c(c1)OCCO2 14226606 OCPMNLSYXCEURP-UHFFFAOYSA-N 358.350 1.583 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(OC)cc2)NC(=O)N[C@@H]1C 5474126 VQKUJWDJZUDOHD-LLVKDONJSA-N 362.382 1.299 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)s1 6605423 YXKCWXIIMAJCHQ-FVMDXXJSSA-N 365.459 1.922 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4815264 UQVQWMZPRCZKNN-ZDUSSCGKSA-N 353.378 1.786 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)NCc1ccc(F)cc1 7348816 KNWPEHXZTPRJKA-CYBMUJFWSA-N 366.418 1.298 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1)NC(=O)NC1CCCCC1 7785318 ALXQHYGVZFJKCD-UHFFFAOYSA-N 361.398 1.118 0 40 FDAB C[S@@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1 42766142 BLPNRUIXQXFDNU-VWLOTQADSA-N 360.483 1.856 0 40 FDAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)C(F)(F)C1(O)CCC1 89826298 MYJVYJFTHOVUQJ-OAHLLOKOSA-N 354.397 1.726 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC(C)CC1 8704254 NOFKGNUHDNTLOE-UHFFFAOYSA-N 372.473 1.035 0 40 FDAB CC[C@H]1CN(C)c2ccccc2CN1CC(=O)N1CCN(C(C)=O)CC1 88562153 QXUCDMOFWKABOB-SFHVURJKSA-N 358.486 1.408 0 40 FDAB O=C(O)c1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccccn4)[C@@H]3C2)cc1 67897144 SOAGXVZZEPFTPE-MSOLQXFVSA-N 367.405 1.392 0 40 FDAB biogenic,in-vitro Cc1c(NC(=O)c2ccn(C)c(=O)c2)cccc1C(=O)N1CCOCC1 97152597 YAEGSQFMHYOYRD-UHFFFAOYSA-N 355.394 1.418 0 40 FDAB CCS(=O)(=O)N1CCN([C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 97165383 LGCRAOUDUZGVCR-KBPBESRZSA-N 363.524 1.646 0 40 FDAB CCn1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)c(C(N)=O)n1 28305746 GLXGONDXHOLYNM-QMMMGPOBSA-N 358.324 1.725 0 40 FDAB Cc1c(C(=O)OCC(=O)Nc2ccc(Br)cn2)cnn1C 21615902 HXOIBJXBGGTDSK-UHFFFAOYSA-N 353.176 1.682 0 40 FDAB CCn1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C)c(C)n1 36614726 UPWMGESNDGZREW-UHFFFAOYSA-N 365.381 1.714 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)n(C)c1 30764499 HFKGKFLYOGJOST-OAHLLOKOSA-N 361.467 1.781 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)n[nH]2)c1 72378175 YMXRCBAZSKFHTH-CYBMUJFWSA-N 373.442 1.808 0 40 FDAB COc1ccc(CC(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(OC)cc2)cc1 72321710 KJNAJRKJVSNLRW-VURPSTOHSA-N 371.433 1.640 0 40 FDAB biogenic,in-vitro Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4ccnnc4)CCN3C2)n1 96183456 OQRCVRSCIWJPAK-ZWKOTPCHSA-N 353.426 1.296 0 40 FDAB COCCC(=O)N1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244549 LDAZFUXDGGEENU-IBGZPJMESA-N 360.458 1.644 0 40 FDAB CS(=O)(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111689 XFJDFGLIJDNZIT-HOCLYGCPSA-N 373.434 1.410 0 40 FDAB biogenic,in-vitro CC1(C)Cc2cc(S(=O)(=O)N[C@H]3CCC(=O)NC3(C)C)ccc2O1 585080375 CLPMWZFLOOXBNA-AWEZNQCLSA-N 352.456 1.736 0 40 FDAB C[C@@H](NC(=O)Cn1cc(-c2ccccc2)ncc1=O)c1nnc2ccccn12 95480061 FJDZASQWZZIYAV-CQSZACIVSA-N 374.404 1.830 0 40 FDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCc4ccco4)[C@H]3C2)cn1 96043483 JGOXJOWHPJDIOF-KZNAEPCWSA-N 358.442 1.557 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230411 QXYJPYRNFVYREE-XTDOFWJNSA-N 360.410 1.282 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230167 MSDMPJYASGGKHD-XTDOFWJNSA-N 362.401 1.803 0 40 FDAB COc1cc(CCC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)on1 257237359 HGCGZIJSNWSEGC-OAHLLOKOSA-N 359.430 1.797 0 40 FDAB Cc1nc([C@@H]([C@H]2CCCNC2)n2cc(C(=O)O)ccc2=O)sc1CO 257240536 HTZJRSXTIQTNCR-XHDPSFHLSA-N 363.439 1.393 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)cn1 253401271 MRIHDNCHTMTDNE-AWEZNQCLSA-N 369.493 1.758 0 40 FDAB Cc1ncncc1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257308840 TYIIXEDRPBMNPZ-UHFFFAOYSA-N 354.458 1.732 0 40 FDAB CC1(C)COC(=O)N1c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 257199833 AAYXVUOJIVKVSX-UHFFFAOYSA-N 353.444 1.956 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ncccc3c1)C2 253384483 OZZKVXYBTKDODO-MRXNPFEDSA-N 374.462 1.901 0 40 FDAB CCCCOc1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 274884588 XUKZLTLVHHNHHW-CYBMUJFWSA-N 356.448 1.416 0 40 FDAB Cn1cnc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)N2Cc2ccccc2)c1 630650631 PTMKHEMOIQYCAH-SJORKVTESA-N 356.426 1.197 0 40 FDAB CO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1(C)C 674662233 IDTYOFUMXKZSMF-JKSUJKDBSA-N 366.483 1.942 0 40 FDAB O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN2CCOC[C@@H]2C1 606444777 OAXOAYGEYJQWIP-YNEHKIRRSA-N 351.369 1.212 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](C)(O)c3cccs3)cc21 96025995 GLGZUKGUZGNKHW-OAHLLOKOSA-N 368.436 1.379 0 40 FDAB Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)no1 585098664 WKPZOEIZOPRSRT-ZDUSSCGKSA-N 354.414 1.995 0 40 FDAB Cc1ccc(OC[C@]2(O)COCCN(C(=O)Cc3cccnc3)C2)cc1 585269345 PVICFJKWZZYEMX-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCOCC1 585284622 UCKQCCXYBNKACQ-MKXGPGLRSA-N 368.518 1.438 0 40 FDAB CN(Cc1ccco1)C(=O)[C@]12CCOC[C@H]1CN(Cc1ccnn1C)C2 685940419 KOTKOZSECWYXCQ-BEFAXECRSA-N 358.442 1.510 0 40 FDAB CCN(CC(=O)NC(C)(C)C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 35268062 NDFRZKNFPBBLQP-SCLBCKFNSA-N 352.479 1.681 0 40 FDAB C[C@@H](O)[C@](C)(CNC(=O)c1cnnn1C1CCNCC1)Cc1ccccc1 662539877 NDYKVCPIWWUXFA-QRWLVFNGSA-N 371.485 1.562 0 40 FDAB O=C(CCn1ccnc1)N1CCC(c2noc(-c3ccc(O)nc3)n2)CC1 12129294 OGWOEIVJADEFEZ-UHFFFAOYSA-N 368.397 1.830 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 12327578 FAPUWXHFMAFREN-ZDUSSCGKSA-N 355.398 1.460 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1OC 13040437 PZXPJBHAUOUKJB-UHFFFAOYSA-N 372.424 1.152 0 40 FDAB O=S(=O)(NCc1ccco1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585671 UTQHBBJJCGNGGA-UHFFFAOYSA-N 366.420 1.797 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccccn1)CC2 19528309 OOEICWWSRQBYFH-UHFFFAOYSA-N 351.410 1.679 0 40 FDAB CCOc1ccc([C@@H](c2nnnn2CCOC)N2CCN(C)CC2)cc1 19532735 XLCJSWHUXMEVQU-KRWDZBQOSA-N 360.462 1.055 0 40 FDAB Cc1cnc(C(=O)N(C)Cc2ccc([C@H]3CN(C)C[C@@H]3C(N)=O)cc2)cn1 19699211 ORAOHXNSMHVGDI-SJORKVTESA-N 367.453 1.188 0 40 FDAB CCN(C)[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C2(CCCCC2)C1 19703936 LQTBQTIFOMFCCT-AWEZNQCLSA-N 364.490 1.572 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCCOCC3)c2C1 19711468 ANYLCESDTQDWIR-INIZCTEOSA-N 373.501 1.417 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 244986167 JIWBKCZQIKDILI-DJIMGWMZSA-N 367.467 1.475 0 40 FDAB Nc1nc(COC(=O)CN2C(=O)COc3ccccc32)nc2ccccc12 18332775 ONSIHQUIJIHKGJ-UHFFFAOYSA-N 364.361 1.681 0 40 FDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(I)c1)[C@H]1C=C[C@H]2O1 311754950 VIHMTBGIKQZRAW-DDHJBXDOSA-N 367.142 1.734 0 40 FDAB O=C([C@@H]1CN(c2ncnc3ncccc23)CCO1)N1CCC(F)(F)CC1 2086952848 VOVQPLSVAODJNN-ZDUSSCGKSA-N 363.368 1.488 0 40 FDAB CCc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)[nH]2)c1 4317147 YAKUTZWPMNVGIF-UHFFFAOYSA-N 362.411 1.475 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)NCc2ccc(C)cc2)cc1 4940978 CQPRIHQLICIQFX-UHFFFAOYSA-N 362.451 1.853 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 19457556 CHRVOVPBWBELHN-AWEZNQCLSA-N 354.458 1.361 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NCCCCCC(=O)O)c2nonc12 44069314 ODEWENLZBOAUCF-UHFFFAOYSA-N 356.404 1.530 0 40 FDAB in-vitro CCCCn1c(N)c(N(C)C(=O)CCCc2ccccc2)c(=O)[nH]c1=O 40129144 SHDCXYHDBKIDCT-UHFFFAOYSA-N 358.442 1.905 0 40 FDAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32100181 XOMWXGYAFWHMFI-QGZVFWFLSA-N 355.398 1.803 0 40 FDAB Cn1/c(=N\C(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc2ccccc21 102836973 WUIGCJQDLOAFAQ-HTXNQAPBSA-N 372.450 1.922 0 40 FDAB CCN(C(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1C 22847428 PEBLFGQFEBGXGO-UHFFFAOYSA-N 358.486 1.244 0 40 FDAB O=C(Cc1nnc(S)nc1CC(=O)c1cccnc1)c1cccnc1 1591667 OIBGYMDOLVLJKJ-UHFFFAOYSA-N 351.391 1.801 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1760599 KRCPKDGOBLKVTJ-UHFFFAOYSA-N 372.402 1.715 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 2701384 HPUAWZDBWNFJTB-CWSCBRNRSA-N 350.268 1.610 0 40 FDAB CCOC(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(C)nc1C 23409164 VPMZYHVBNGPSIR-UHFFFAOYSA-N 364.446 1.719 0 40 FDAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)CC(=O)OC)cc21 6794866 GTSLBZRHYABYLN-UHFFFAOYSA-N 374.441 1.945 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1c(Cl)cccc1Cl 25033305 VHWMJTGZZYLHSP-GFCCVEGCSA-N 359.209 1.426 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 9156878 OMLQUKPPHQSULG-GFCCVEGCSA-N 373.457 1.275 0 40 FDAB O=C(C1CCN(Cc2c(O)nnn2-c2ccccc2)CC1)N1CCCC1 58179750 YGZZSFXOGPIJCM-UHFFFAOYSA-N 355.442 1.807 0 40 FDAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)COc2ccc3c(c2)OCO3)C1=O 58174459 UINLMWKTHDYRDF-AAEUAGOBSA-N 350.371 1.122 0 40 FDAB NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 44818439 CGLNXBVNQUCLQU-INIZCTEOSA-N 367.405 1.412 0 40 FDAB Cn1nc2c(c1NC(=O)C[C@H]1NC(=O)c3ccccc3N=C1O)CSC2 101414054 LODGUILMWLDZHG-GFCCVEGCSA-N 371.422 1.896 0 40 FDAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 12776159 VCCQQPUWTDTQOY-ZDUSSCGKSA-N 373.409 1.296 0 40 FDAB OCCNCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 3324738 JJENJQATONEIIW-LBPRGKRZSA-N 354.501 1.860 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1 102084286 LZUYCICNJCUOBS-CQGUCCIRSA-N 350.418 1.917 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc3ccccn3c2=O)C1 28708628 GQTAICYUPVZUKZ-OAHLLOKOSA-N 351.410 1.804 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NC[C@H]2Cc3ccccc3O2)cc(C)c1C 48331837 CHDAGWJUAIXZLM-MRXNPFEDSA-N 374.462 1.945 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691764 OLIIMONMVGDYDK-KWBADKCTSA-N 364.345 1.341 0 40 FDAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ncccn2)CC1 37190213 UZXCIXDECPSAOR-OAHLLOKOSA-N 368.441 1.013 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 115085023 CZROBCCMLZQCKO-MWDDYTRKSA-N 368.389 1.609 0 40 FDAB Cc1nc(CN2CCC(CNC(=O)NCc3cnn(C)c3)CC2)oc1C 111536056 WFVHVQGEFSJZJC-UHFFFAOYSA-N 360.462 1.736 0 40 FDAB CNC(=O)CN(CC(=O)NC)Cc1ccc(COCc2ccccc2)cc1 47044963 QXSHLMZSMYZUSH-UHFFFAOYSA-N 369.465 1.697 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1nnc(-c2ccco2)o1 13119689 QMAKZMCOZBXKMS-RYUDHWBXSA-N 371.349 1.714 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(c3cnnc(O)c3Cl)CC2)s1 9748777 LZNROOVOTSUTQP-UHFFFAOYSA-N 374.875 1.716 0 40 FDAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)N1CCOCC1 4341503 RRITZSFNXQYAQV-UHFFFAOYSA-N 373.413 1.906 0 40 FDAB C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 5267130 FUYIBDTVWYJYOG-LLJZQGTPSA-N 373.478 1.820 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 14083607 ASVOZOCBQSFRHD-UHFFFAOYSA-N 354.815 1.796 0 40 FDAB O=C(CN1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1)NC1CC1 14095412 YXVBOUPNRUGZOS-UHFFFAOYSA-N 373.522 1.690 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1=O 6589011 QFIFJYBFRFIYNX-GOSISDBHSA-N 371.397 1.343 0 40 FDAB CC(C)(C)NC(=O)COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 9338099 KMVKNMSYYANZFY-UHFFFAOYSA-N 359.382 1.919 0 40 FDAB O=C(NCCCN1CCOCC1)c1nnc(Cc2cccc(Cl)c2)o1 15081975 YRHDFGPLNYZFQW-UHFFFAOYSA-N 364.833 1.766 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CSc1ncccn1 6911686 PHKDTKSDVNNOQW-UHFFFAOYSA-N 362.430 1.873 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCC2=O)cc1 6993182 UCOVNNFWCKLXSK-UHFFFAOYSA-N 370.409 1.713 0 40 FDAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7931303 KWGRUDPUXIWLSE-SECBINFHSA-N 358.354 1.899 0 40 FDAB CSc1ncccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 16695347 GZZSMHGPMQOPCI-UHFFFAOYSA-N 368.436 1.687 0 40 FDAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(N)=O)c1 69193528 TWVSEHDPDJZMKL-DYVFJYSZSA-N 353.422 1.918 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nc2onc(C)c12 9500355 SIYBYSUFIPTLKJ-UHFFFAOYSA-N 374.378 1.872 0 40 FDAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1 18166062 LEGUQVJAPNEYJO-IAGOWNOFSA-N 363.377 1.927 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 18142329 AQGJMCAKNKITQR-GJZGRUSLSA-N 373.428 1.650 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1CCCCC1 8876460 ZVJMEXNFLAAJDB-UHFFFAOYSA-N 369.487 1.356 0 40 FDAB COC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCCCC1 8878172 RLZJRMILPZGXBD-UHFFFAOYSA-N 368.455 1.543 0 40 FDAB COc1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)ccn1 95999915 VRHQXPSYOSBBAV-UHFFFAOYSA-N 361.423 1.034 0 40 FDAB NC(=O)NC(=O)CCSc1nnc(NCCc2ccccc2)s1 9954911 JPYUPLKZISPFCJ-UHFFFAOYSA-N 351.457 1.870 0 40 FDAB CCN(CC)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 89968987 MABMAZHFKUXMID-UHFFFAOYSA-N 369.487 1.016 0 40 FDAB CCn1c(=O)n(CCC(=O)N[C@H]2CCN(C(=O)OC)C2)c2ccccc21 76041807 XRWCAVVHWWRYDI-ZDUSSCGKSA-N 360.414 1.170 0 40 FDAB Cc1nnc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)s1 44892264 WCEQPLVSMIRBFF-UHFFFAOYSA-N 374.470 1.312 0 40 FDAB O=C(Cc1ccccc1F)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306128838 HMDZFEPOZITIFY-ZMSDIMECSA-N 356.401 1.744 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 20889344 AUXVZDFGQMVSAH-UHFFFAOYSA-N 369.487 1.303 0 40 FDAB CN1CC(=O)N(CCCC(=O)N[C@H](c2ccccc2)c2nccn2C)C1=O 23775027 ZNUJIPMRTVXSET-QGZVFWFLSA-N 369.425 1.300 0 40 FDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306139730 TYUPIAQSAXDZSJ-CABCVRRESA-N 357.433 1.860 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3ccsc3)C2)cn1 306129886 IPRFQDIBMQIBEH-AWEZNQCLSA-N 370.482 1.740 0 40 FDAB COc1cc(NC(=O)C2(n3cnnn3)CCCCC2)cc(OC)c1OC 36352893 SWBPQROCOUPYTP-UHFFFAOYSA-N 361.402 1.997 0 40 FDAB CS(=O)(=O)N1CC([C@@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306137499 QXVVNXROSILHLI-INIZCTEOSA-N 357.435 1.717 0 40 FDAB Cc1ccccc1N1C[C@@H](c2cc(O)n3ncc(C(N)=O)c3n2)CC1=O 72351944 FALIKFSXIMQLSX-NSHDSACASA-N 351.366 1.363 0 40 FDAB Cc1ccc(CNC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)nc1C 568044109 VFCHEAUKUHJTEJ-KRWDZBQOSA-N 370.457 1.838 0 40 FDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 181181053 ICDZXNRORCXAKZ-AWEZNQCLSA-N 371.478 1.312 0 40 FDAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(S(=O)(=O)NC)c1 225412971 YJSPLHBUCBUWPN-MRXNPFEDSA-N 367.515 1.979 0 40 FDAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4nccs4)C3)N2C1 514289841 PCTRELJDUUEGFL-IAGOWNOFSA-N 371.510 1.044 0 40 FDAB biogenic,in-vitro CCOc1ncc(C)cc1NC(=O)N1CCCN(S(C)(=O)=O)CC1 332318667 LWGKGEZIXNPMMU-UHFFFAOYSA-N 356.448 1.288 0 40 FDAB C[C@H](CNC(=O)N1CCN(c2ncccc2F)CC1)CN1CCOCC1 90588151 WYSVLAWSNRKQFY-OAHLLOKOSA-N 365.453 1.021 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1 257200437 ADIINIYQNSLAJU-INIZCTEOSA-N 358.373 1.466 0 40 FDAB CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257220673 DLRDQCYERSSMAS-SFHVURJKSA-N 354.406 1.999 0 40 FDAB Cc1cc(-c2cnc(C[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257215031 COJMCPQRBGYXSL-CYBMUJFWSA-N 364.475 1.236 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3cccnc3)C2)ncn1 257280755 OMFVRMLQSUARQU-IBGZPJMESA-N 355.442 1.212 0 40 FDAB CC(C)(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 25889757 RMXJTHNXYDPITM-UHFFFAOYSA-N 354.472 1.760 0 40 FDAB COCC(=O)Nc1cccc(CNC(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)c1 626744431 AMQVBRVMBAGJFK-SWLSCSKDSA-N 363.414 1.524 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2OCc2cccnc2)C1 643745724 QOUMIRSHHNDDMV-FQEVSTJZSA-N 355.438 1.863 0 40 FDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1ccc2c(c1)CCCC2 647928283 IVEIGBRNXINTBM-KRWDZBQOSA-N 360.435 1.935 0 40 FDAB O=C(O)C[C@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 287108204 ARCFJNURGRIQFK-SECBINFHSA-N 352.334 1.976 0 40 FDAB O=C(c1ccc2c(c1)COC2)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575404030 LIWDXMQMRVBNBO-KRWDZBQOSA-N 367.405 1.959 0 40 FDAB O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(CCCN(c3ccncn3)C2)C1 585101106 DQJBKLIQLXMVKH-HNNXBMFYSA-N 351.357 1.506 0 40 FDAB CN1C[C@@H](COCc2ccncc2)CC12CN(C(=O)c1ccnn1C)C2 585093764 DVUABBGNBAEOCR-INIZCTEOSA-N 355.442 1.178 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3ccccn3)CC(F)(F)C2)C1=O 585093320 PDQSDLNQMNEPOJ-MRXNPFEDSA-N 353.369 1.428 0 40 FDAB Cc1ncoc1C(=O)N1Cc2ncn(C)c2C[C@H]1COc1ncccn1 585094954 WOBIGJDNFOTQGT-LBPRGKRZSA-N 354.370 1.153 0 40 FDAB C[C@H](CN1CCOCC1)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 69950969 IDODLGNLJBBTCH-GDBMZVCRSA-N 363.483 1.039 0 40 FDAB C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C 89237991 USKSGRJIUYBYME-HOCLYGCPSA-N 374.485 1.780 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 96104529 YWFHGVOIYUBSDR-INIZCTEOSA-N 352.456 1.109 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCCOC1CCCCC1 100697997 MIPAFUYMVSBKEE-DFEHZGFQSA-N 360.454 1.649 0 40 FDAB CCOC(=O)C[C@H](NC(=O)CP(=O)(OCC)OCC)C(=O)OCC 5372415 HKSQPGNVNWWFRH-NSHDSACASA-N 367.335 1.254 0 40 FDAB O=C(CCn1cncn1)N1CCC(c2noc(-c3cccnc3)n2)CC1 12187010 LXFPQUMLKGPASM-UHFFFAOYSA-N 353.386 1.519 0 40 FDAB Cc1nc(CC(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)cs1 12258444 TWDCSRGZJJJTEC-UHFFFAOYSA-N 368.422 1.532 0 40 FDAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(C2CCOCC2)C1 15674994 FBWXTZHEAKNNHP-KGLIPLIRSA-N 359.382 1.752 0 40 FDAB biogenic,in-vitro CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024740 WCACKGRRMHUVCR-IRHLFGLPSA-N 355.438 1.844 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COC)cc1C 16692194 AKVAKLVEJNLKQN-ZDUSSCGKSA-N 358.460 1.165 0 40 FDAB Cc1ccc(C(=O)NCc2cc(O)nc(N3CCC(C)CC3)n2)c(=O)n1C 19131812 FEEKDSIXSUKJJK-UHFFFAOYSA-N 371.441 1.356 0 40 FDAB O=C(Cn1c([C@H]2CCCO2)cc2cccnc21)N[C@@H]1CCS(=O)(=O)C1 19347094 MYRJAPWVIREVAM-UKRRQHHQSA-N 363.439 1.191 0 40 FDAB CN1C[C@@H](C(=O)NC2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O 19587426 GRLFHWWRHSMHHI-LTQQYIGLSA-N 371.437 1.085 0 40 FDAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccn2nnnc12 19661952 KDQWRYFGCHFXGX-UHFFFAOYSA-N 350.382 1.177 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H](C)N3CCOCC3)c(C)n2n1 19714095 AOYWRSVBOWDDLF-CQSZACIVSA-N 359.474 1.424 0 40 FDAB CN1[C@@H]2CCNc3ccccc3CN(C(=O)CN3CCCC3=O)C[C@H]1CC2 643588214 AINWPZDNBRVQIY-ZWKOTPCHSA-N 370.497 1.916 0 40 FDAB COC(=O)CN(CC(=O)OC)C[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 643587971 RNGNGQGJJOCWNW-IDHHARJASA-N 365.426 1.243 0 40 FDAB CC[C@H]1CCCCN1CCCNC(=O)c1c(O)nc2sccn2c1=O 22852893 OFKULTLTFKGNAC-LBPRGKRZSA-N 364.471 1.846 0 40 FDAB Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 806108 CWGCKJXASJDWOZ-UHFFFAOYSA-N 361.423 1.663 0 40 FDAB COCCn1nc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1=O 21937195 DQNNUHWHXAFPPB-UHFFFAOYSA-N 358.423 1.772 0 40 FDAB Cc1ccnc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)n1 1888888125 RPPFFPULMSURMQ-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB COc1cc(OC)nc(N2CC(Cn3cc(Br)cn3)C2)n1 1889108569 SDVHCAMBWYGUCJ-UHFFFAOYSA-N 354.208 1.589 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCOC(C)C 23177884 YBANJJNSBKIATI-QGZVFWFLSA-N 368.499 1.694 0 40 FDAB CCC(CC)[C@H](CNC(=O)CNC(=O)c1ccccc1)N1CCOCC1 24838067 QGIUFSSMODWYBR-SFHVURJKSA-N 361.486 1.670 0 40 FDAB Cn1cnc(CN2CCCCOCCNC(=O)c3ccccc3OCC2)c1 2037988773 HTKGAZVAZIQVAX-UHFFFAOYSA-N 372.469 1.841 0 40 FDAB Cc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 17135887 LMHZAKCYRMPMFZ-UHFFFAOYSA-N 363.439 1.518 0 40 FDAB CCN1C[C@@]2(COCCN(C(=O)c3cc4ccccc4n3C)C2)OCC1=O 2055781417 BUKOFIWMRMLCEI-HXUWFJFHSA-N 371.437 1.268 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ccc3nccn3n2)C1 585606220 SBNVVPZARMGIBR-UHFFFAOYSA-N 359.393 1.484 0 40 FDAB C[C@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@H](C)O1 40087462 YQLIPABMYJEJPL-KBPBESRZSA-N 355.442 1.598 0 40 FDAB Cc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 100033372 KBQPPRAQXKMJBS-IRXDYDNUSA-N 363.377 1.927 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N(C)C 40121215 LECZFKCKMUQSRW-HIFRSBDPSA-N 361.442 1.283 0 40 FDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)no1 40106402 VLIFGNSWBPXZFZ-NSHDSACASA-N 366.395 1.696 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@@H](O)c3ccccc3OC)c(=O)[nH]c2c1 32929994 ZEJKHBGJMWADSK-OAHLLOKOSA-N 370.361 1.219 0 40 FDAB CN(Cc1ccc(Cl)nc1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103047288 BGGSVGZKLTVHSV-GVAFMPQTSA-N 359.813 1.501 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nnc3ccccn23)CC1 12408464 WZWCUSSXQBHKAC-UHFFFAOYSA-N 360.443 1.638 0 40 FDAB COc1ccc(NC(=O)CN2CCC[C@H]2C(=O)NCC(F)(F)F)cc1 54990837 FZOGDJQEQITBQM-ZDUSSCGKSA-N 359.348 1.777 0 40 FDAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccs2)cc1 4383514 FVHGYTIOJDQDMV-UHFFFAOYSA-N 353.421 1.761 0 40 FDAB Cc1cc2nc(N3CCCCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C 4830574 OGQTVPDRDZUIRB-MLHJIOFPSA-N 361.442 1.255 0 40 FDAB COc1ccc(CNC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 25229910 INMHGJNEQBDXEC-WMZOPIPTSA-N 363.458 1.232 0 40 FDAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1 8877086 GCGVDSWVJBGHFQ-UHFFFAOYSA-N 367.434 1.948 0 40 FDAB CCN1C[C@@H](C(=O)O)C(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 35565091 YZGAZHWDQGGMJN-MWLCHTKSSA-N 353.369 1.486 0 40 FDAB Cc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)no1 25139149 JKFQXGYMOWBBLJ-UHFFFAOYSA-N 355.416 1.925 0 40 FDAB COc1ccc(-c2cnn(CC(=O)N3CCc4ccccc43)c(=O)n2)cc1 44804229 NSVXBEOMBVBMSL-UHFFFAOYSA-N 362.389 1.903 0 40 FDAB Cc1cccc(OCCN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)c1 48236616 YDUAPEGKDKCLCA-UHFFFAOYSA-N 354.472 1.504 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)CCN2C(=O)COc3ccccc32)CC1 12743589 GJZZDNZYIKUYIC-HNNXBMFYSA-N 374.437 1.992 0 40 FDAB COCCCNC(=O)[C@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 2122117 AKPMDBPBGZKKJH-DIFFPNOSSA-N 366.439 1.426 0 40 FDAB biogenic COC(=O)[C@@H]1CCCCN1C(=O)Cc1cc(OC)c(OC)c(OC)c1 12768286 FCRPQDJQLAATHR-ZDUSSCGKSA-N 351.399 1.809 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(NS(C)(=O)=O)CC1 10660930 DKUVKUNAGQHKFA-UHFFFAOYSA-N 360.863 1.567 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1)C2 107233387 LGNABBKKRBXVGH-PKOBYXMFSA-N 371.462 1.799 0 40 FDAB C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)C1 36892258 LVUKMOSWBAEDTD-CYBMUJFWSA-N 368.455 1.337 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc(C)c1C 48331836 CHDAGWJUAIXZLM-INIZCTEOSA-N 374.462 1.945 0 40 FDAB O=C1CN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc2N1 12819813 YKRMDDWXLIRPGB-UHFFFAOYSA-N 362.183 1.596 0 40 FDAB COc1ccc(NC(=O)C2CC2)cc1NC(=O)c1nccnc1C(=O)O 71289035 SXFKTTNRLFFOMI-UHFFFAOYSA-N 356.338 1.784 0 40 FDAB Cc1ccsc1CN1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306137465 QXDNBBRDULSXFE-HUUCEWRRSA-N 372.494 1.804 0 40 FDAB CS(=O)(=O)Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 63983642 KPYKXHDRWGFUEW-UHFFFAOYSA-N 371.418 1.580 0 40 FDAB C[C@H](c1ccccn1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000081 DEDYIRQHQUGHNW-CQSZACIVSA-N 359.451 1.929 0 40 FDAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C 4386388 MLGHKCBYMYWRBL-UHFFFAOYSA-N 351.410 1.628 0 40 FDAB Cc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cccc1S(N)(=O)=O 95435911 BZUSIRBDSJNKSH-ZDUSSCGKSA-N 353.488 1.493 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218854 PLOXKBRFYGSPNZ-DYZYQPBXSA-N 353.369 1.893 0 40 FDAB O=C1CNC(=O)N1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 6846189 KFVXOGHLOITFKK-OAHLLOKOSA-N 351.362 1.705 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 7287575 OGZROSQYENXVIJ-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB Cc1nn(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O 9513394 PKGGAWIEOXDIQQ-UHFFFAOYSA-N 365.411 1.236 0 40 FDAB O=C(CSc1ncnc2ccccc12)NCCN1C(=O)CSC1=O 8189019 DGNSSOYVNRYXBN-UHFFFAOYSA-N 362.436 1.534 0 40 FDAB CC(C)n1cc(CN2Cc3ccnn3[C@H](COCC(=O)N(C)C)C2)cn1 306128262 GVQKEIDDAXNXBQ-KRWDZBQOSA-N 360.462 1.322 0 40 FDAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(N)=O)n1C 8883460 QFPULFGKTATHNY-MRVPVSSYSA-N 353.835 1.537 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CCC[C@@H](O)C1 72295724 HIXUYSQGSXIZQZ-TZMCWYRMSA-N 358.435 1.161 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(OC)cc2)C1 98086206 SBBATEAEKCAJPV-OAHLLOKOSA-N 354.472 1.715 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@H]3CSc4ccccc4O3)CC2)n[nH]1 76017390 PZOXDABESHRQEH-CQSZACIVSA-N 359.455 1.311 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCC[C@]23CN(Cc2ncc[nH]2)CCO3)cn1 306141067 VKOMTCTZTJYASA-LPHOPBHVSA-N 370.457 1.452 0 40 FDAB CCN1C[C@@H](C(=O)O)C(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 21983731 YZGAZHWDQGGMJN-GXSJLCMTSA-N 353.369 1.486 0 40 FDAB COCCCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217627051 WFTXRFQKRLEEOM-UHFFFAOYSA-N 368.411 1.905 0 40 FDAB C[C@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 35456550 QMWJARHMJRTJMQ-ZVDMBRDFSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro Cc1ccc(OCC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc1 564672197 ZNUDEENGVSCAHQ-KBXCAEBGSA-N 356.426 1.443 0 40 FDAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225601540 KDEIECKRMXRJCI-GOSISDBHSA-N 350.415 1.678 0 40 FDAB O=C(O)C[C@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 223128354 CHXPLOJUAHHTOK-ZDUSSCGKSA-N 360.439 1.835 0 40 FDAB COCc1nn2c(=O)cc(COC(=O)c3ccc(OC)cc3)nc2s1 41077310 APGINKCXSSJFMQ-UHFFFAOYSA-N 361.379 1.663 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 225407408 BIMHXRGOSVBSBY-CYBMUJFWSA-N 366.418 1.524 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)[C@H](c2ccncc2)CC(=O)N3C)no1 96199987 KPVIVVJAPMLFDL-HNNXBMFYSA-N 354.410 1.999 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253196 QUEIBDZVVFFXEY-OWCLPIDISA-N 364.467 1.395 0 40 FDAB O=C(CCO)N1CC[C@@]2(c3ccccc3)CN(c3ncccn3)C[C@@H]2C1 96083342 ULQKCPKWJRQHGG-PXNSSMCTSA-N 352.438 1.466 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1nc(C)cs1)CC2 247936707 DUVZGDIIYSHNET-AWEZNQCLSA-N 373.544 1.572 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 247534779 QBWYQHZGCRFJBR-AWEZNQCLSA-N 374.422 1.376 0 40 FDAB O=C(CN1C(=O)c2ccc(F)cc2S1(=O)=O)Nc1ccc(Cl)nc1 1652835009 FBBPIHXQKOWLFB-UHFFFAOYSA-N 369.761 1.657 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(CCC(=O)N2CCCc3ccccc32)C1 643818872 WXHUCJCXCWBCJJ-HXUWFJFHSA-N 359.470 1.319 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccc(-c3ccccn3)nc2)C1 643814300 RTTVVBBDRHHGJQ-FQEVSTJZSA-N 354.454 1.949 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(CCOc2cc(C)ccc2C)CCO1 648048943 PXFLFJFCFPWZLI-KRWDZBQOSA-N 364.442 1.316 0 40 FDAB CO[C@H]1CCC[C@@H](CC(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)C1 668295163 KUNDGMXMJFHDHN-OCCSQVGLSA-N 350.419 1.735 0 40 FDAB O=C(NCCc1nc(-c2ccccc2)no1)c1ccc2nnc(O)n2c1 670416489 CFIBZBPDVXRVOD-UHFFFAOYSA-N 350.338 1.457 0 40 FDAB O=C(O)COc1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 683338868 QZBFFTHXLCXUAP-OAHLLOKOSA-N 360.410 1.671 0 40 FDAB CCOC1CC(O)(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1 683519810 SYZOTQGSQIPVIF-LSWWBPAMSA-N 360.454 1.703 0 40 FDAB COCCn1cc2c(n1)[C@@H](NC(=O)N1CC[C@H](O)C(F)(F)C1)CCC2 606444945 RRVAQFRMLDVELB-STQMWFEESA-N 358.389 1.318 0 40 FDAB O=C(CSCc1ccccc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390832370 ZALIOQGEZYCICM-OAHLLOKOSA-N 368.466 1.753 0 40 FDAB CN(C(=O)Nc1ccc(OCCC(=O)O)cc1)[C@@H]1CCS(=O)(=O)C1 573152799 ZWEFZWLETGYRGN-GFCCVEGCSA-N 356.400 1.191 0 40 FDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 585288303 USNUWROAFAATJW-KURKYZTESA-N 359.426 1.682 0 40 FDAB COc1cccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 56998093 JLUNFUVHTWILEU-HOTGVXAUSA-N 352.456 1.165 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(Br)cc1 22888938 JTSTYJPBXYDWMF-UHFFFAOYSA-N 363.277 1.450 0 40 FDAB CC(C)N1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CC1=O 79107050 UMAVHUAFWKDTSG-CEXWTWQISA-N 371.481 1.355 0 40 FDAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1N1CC[C@H](CO)[C@H](O)C1 579190937 RHOFGAWJOWWQTI-QMTHXVAHSA-N 366.364 1.869 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C[C@@H]1CCS(=O)(=O)C1 12155496 BERCSXXJWXQSIK-KCQAQPDRSA-N 374.466 1.451 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3ccccc3F)c2n1 12337182 POUFLEWAESOHJO-LLVKDONJSA-N 356.361 1.679 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)NCC(C)(C)N1CCOCC1 12859587 AVZALCYBHBVFLH-UHFFFAOYSA-N 363.458 1.042 0 40 FDAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)NCC(F)(F)F 15278656 WQFPTLIQXHNCTG-ZETCQYMHSA-N 363.340 1.957 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCCCn2ccnc2)ccc1OC 16681796 CSZWLIFUFGIVIG-UHFFFAOYSA-N 366.443 1.010 0 40 FDAB COc1ccc(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 17011607 SUHUXNHNBYMJNY-CQSZACIVSA-N 363.439 1.741 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CN(C)C)CC2=O)cc1 19581885 VZWNWAXXSRBOIA-RDJZCZTQSA-N 359.470 1.991 0 40 FDAB CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)C1 631971713 PCJGHVDNIJNEBH-WDEREUQCSA-N 360.863 1.971 0 40 FDAB N[C@H](c1cn(C[C@H](O)COCc2ccccc2Cl)nn1)[C@H]1CCCO1 641196529 FUXLAMHVHJHKOZ-IAOVAPTHSA-N 366.849 1.688 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 3521935 QWKXAKRIMVHAQK-JTQLQIEISA-N 353.375 1.199 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(c5nc(C)c(F)c(O)n5)C[C@H]4C3)n1)CCC2 1888866858 JZXAACDPLDFKJX-BETUJISGSA-N 370.432 1.789 0 40 FDAB CC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)n(C)c1 16540951 OXKWURALPGNGRQ-SECBINFHSA-N 363.395 1.572 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cn1 253401146 MNOVZXOXIPDEFL-AWEZNQCLSA-N 356.473 1.082 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)CC3(O)CCC3)C2)C1 1614937829 KEJYRJPYULSIFX-IBGZPJMESA-N 372.425 1.463 0 40 FDAB O=C(c1cnn2ccccc12)N1Cc2nccn2C[C@H](CN2CCCC2)C1 1565553312 SYGIBAOHQQDFNB-INIZCTEOSA-N 364.453 1.899 0 40 FDAB COCCNC(=O)[C@@H]1OC2(CCN(C(=O)CCF)CC2)c2ccccc21 1565553005 GNRSYUGMXNVSGL-QGZVFWFLSA-N 364.417 1.698 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)c(OC)c1 1565554936 LIHLAOIFJVGOAQ-UWWQBHOKSA-N 374.437 1.460 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)NCc2cccs2)cc1 4940983 HIEKJBKXWSIFGO-UHFFFAOYSA-N 354.453 1.606 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)Nc1nccs1 10256694 GNCOVMCLCTVAHT-UHFFFAOYSA-N 366.468 1.302 0 40 FDAB Cn1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21 12443928 BBLGQXLEODPDAV-UHFFFAOYSA-N 352.276 1.183 0 40 FDAB CCc1ccc(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)cn1 2055717908 FDMJSOBPGAAPOP-UHFFFAOYSA-N 354.458 1.877 0 40 FDAB COCc1cn([C@@H]2CCN(C(=O)c3cc(F)c(F)c(OC)c3F)C2)nn1 585149663 HNVUEXPWRSCJFC-SNVBAGLBSA-N 370.331 1.938 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CCCN1c1ncccn1 585150439 OBWGMLRKXMFHJA-CQSZACIVSA-N 355.398 1.674 0 40 FDAB COc1cc(C(=O)NCC(=O)Nc2ncc(C)s2)cc(OC)c1OC 10624996 BIWVBDZUUYYGPO-UHFFFAOYSA-N 365.411 1.846 0 40 FDAB COc1cccc2c1N(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)CCC2 40086893 MBJIOSOTWURMED-CQSZACIVSA-N 352.456 1.646 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccccc2Cl)CC1 40105737 QCKYKWMKMJEDHC-DYVFJYSZSA-N 351.878 1.658 0 40 FDAB O=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)N1CCCC1 40162242 ATNLXXFNFZFZOU-UHFFFAOYSA-N 351.878 1.959 0 40 FDAB COCCCNC(=O)CN1CCN(C(=O)c2cc3ccccc3o2)CC1 52567297 PHCVFZCATAAPQA-UHFFFAOYSA-N 359.426 1.343 0 40 FDAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(N)=O)ccc1O 32936742 MWNLWKGSHFAZBE-UHFFFAOYSA-N 350.352 1.079 0 40 FDAB COC(=O)c1cccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1 21924978 HTNSDAHUUTWAGE-UHFFFAOYSA-N 354.284 1.801 0 40 FDAB O=c1[nH]c2nc(NCc3ccco3)ncc2c(=O)n1-c1ccc(F)cc1 102911241 YNLWIFXLWWWOET-UHFFFAOYSA-N 353.313 1.813 0 40 FDAB COc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 668376 BVBNCLKYCOMIBI-UHFFFAOYSA-N 356.334 1.653 0 40 FDAB CCOc1ccc(C(=O)CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 22548653 YVNIDBQMMQJLRD-KRWDZBQOSA-N 353.440 1.742 0 40 FDAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1sc(C)nc1C 42258183 WBNQDSMCLTXSEL-UHFFFAOYSA-N 354.409 1.665 0 40 FDAB C[C@@]1(c2cccnc2)NC(=O)N(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1=O 97148259 VKTUWFZVUZWPSC-KXBFYZLASA-N 366.377 1.874 0 40 FDAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 23075060 IHRHFBYHMDMCTM-HNNXBMFYSA-N 369.421 1.707 0 40 FDAB CCOC(=O)C(Cc1cc2c(n1C)CCCC2)(NC(C)=O)C(=O)OCC 1582435 IJUCUPIBBDDELY-UHFFFAOYSA-N 364.442 1.448 0 40 FDAB COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1 4362078 XVOGGUSAABMAFY-ILXRZTDVSA-N 351.447 1.703 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6957914 LPQUQPPFLGFQFO-UHFFFAOYSA-N 365.835 1.597 0 40 FDAB COc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)n1 108524394 QCTYJQALNWADLJ-YLJYHZDGSA-N 359.470 1.941 0 40 FDAB C[C@H]1CCCN1C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134230 YUSMKLZNPNPDHV-LBPRGKRZSA-N 360.439 1.631 0 40 FDAB O=C(c1cccc(C(=O)N2CCCC[C@H]2CO)c1)N1CCCC[C@H]1CO 1457707 RFKJZBHUNYXHFI-ROUUACIJSA-N 360.454 1.661 0 40 FDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 8267930 VDOCHVMPVXCZPB-MGPQQGTHSA-N 362.426 1.693 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3nccs3)CC2)c1C 12689099 DXEWIORBKBVSMA-UHFFFAOYSA-N 362.455 1.880 0 40 FDAB COCCN1C(C)=CC(=C2C(=O)NC(=S)NC2=O)C=C1C(F)(F)F 1803599 HJAQYQYLIKWQJY-UHFFFAOYSA-N 361.345 1.126 0 40 FDAB COC(=O)c1ccccc1N1C(=O)C(Cl)=C(N2CCOCC2)C1=O 1938108 CWJYIBDMPGTJID-UHFFFAOYSA-N 350.758 1.129 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCC2CCCC2)c1 57279462 XIZVIILPQOEXQV-UHFFFAOYSA-N 365.459 1.837 0 40 FDAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCOCC3)n2)c(OC)c1 58194922 ZYWDNTSOSXSXBP-UHFFFAOYSA-N 364.427 1.440 0 40 FDAB COC(=O)C1CCN(C(=O)CN2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 58177763 MPDIBENOGAYWET-AZUAARDMSA-N 374.481 1.986 0 40 FDAB O=C(Cc1nc2ncccn2n1)NCc1ccc(N2CCCCC2)nc1 58225027 VUCHLNCGZFISRB-UHFFFAOYSA-N 351.414 1.369 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 58245382 BTKCOJUPQDRSHS-QMMMGPOBSA-N 365.415 1.425 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2F)cc1 72306294 AUTFDOWZXDHPID-UHFFFAOYSA-N 351.359 1.684 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cccn1 58435719 PJXDDIHMOFBIOR-UHFFFAOYSA-N 362.455 1.503 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(OC)nc3)c2c1 36611944 QQHWYPSWGQHUSY-UHFFFAOYSA-N 368.393 1.878 0 40 FDAB biogenic Cc1nccn1-c1cc(CNC(=O)c2cnc3ccccn3c2=O)ccn1 48314806 IFLHHOFJFQLIKO-UHFFFAOYSA-N 360.377 1.514 0 40 FDAB C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@@H]2CC[C@@H]1C2 101635540 XTYMRHPUEMVNQC-GBJTYRQASA-N 360.458 1.447 0 40 FDAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3nnnn32)cc1 45896136 HUFATHNLJPMOIH-OAHLLOKOSA-N 359.386 1.550 0 40 FDAB C[C@H]1Oc2ccccc2N(CC(=O)Oc2ccc(-n3cnnn3)cc2)C1=O 12850316 MKAURWMQCHSFLO-GFCCVEGCSA-N 365.349 1.382 0 40 FDAB Cc1c(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)oc2ccccc12 9049041 FOVNFHFTIIUQDT-UHFFFAOYSA-N 364.361 1.939 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1 84101454 FEVMYTNLCCHNNG-DOTOQJQBSA-N 361.419 1.718 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 4008904 NBHKZBUEPMJOOR-LZDSYCOUSA-N 373.792 1.873 0 40 FDAB O=C(N1CCOCC1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005013 LPTHGOZGKREAGN-OAHLLOKOSA-N 353.444 1.345 0 40 FDAB O=c1nc2s/c(=C/c3ccc(F)cc3)c(=O)n2nc1Cc1ccccc1 6282382 JCGIOZPTUSTFHI-LFIBNONCSA-N 365.389 1.789 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C(N)=O 4316124 GSESUXNBKGEMST-NSHDSACASA-N 354.362 1.633 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=O)cc2C1 96105684 QHSAVYIFKMMHKX-UHFFFAOYSA-N 374.828 1.748 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCN(Cc2ccccc2)C1 14093316 XRMDTDWILAHFSR-MRXNPFEDSA-N 370.453 1.242 0 40 FDAB COc1ccccc1N1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 5423258 CHOYOZVKISLFFT-UHFFFAOYSA-N 367.449 1.703 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 4815263 UQVQWMZPRCZKNN-CYBMUJFWSA-N 353.378 1.786 0 40 FDAB C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1)c1ccccc1 409003776 UUJABGWGSGIRSJ-BBRMVZONSA-N 355.394 1.896 0 40 FDAB Cc1cc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 5992462 GBSQHEZWFBIUNN-GFCCVEGCSA-N 350.465 1.939 0 40 FDAB NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc2O1 7307241 SMCCMTKOENMOGN-CQSZACIVSA-N 352.799 1.782 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccn3)cc2)C1=O 15842714 OTASIAPFEVPKFP-GFCCVEGCSA-N 359.407 1.324 0 40 FDAB CS(=O)(=O)N1CCc2ccc(NC(=O)CNC(=O)c3ccccc3)cc21 19819425 STTIBHUCAVWLRY-UHFFFAOYSA-N 373.434 1.377 0 40 FDAB C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 16418402 JRBYHXRAKRDQQJ-QWHCGFSZSA-N 366.439 1.571 0 40 FDAB CCNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 8728908 LTHMORWUCVSITP-UHFFFAOYSA-N 352.464 1.541 0 40 FDAB COC(=O)Cn1cc([C@H](C)OC(=O)c2cnn(Cc3ccccc3)c2)nn1 84667478 ZRBCTXAKDOFTKO-ZDUSSCGKSA-N 369.381 1.614 0 40 FDAB CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C2CCN(C(C)C)CC2)CC1 95432353 LNNMTEUFFGYZGT-INIZCTEOSA-N 367.538 1.100 0 40 FDAB CC(C)(C)NC(=O)c1cccc(NC(=O)NC2CCS(=O)(=O)CC2)c1 75104783 JLAXDVVSEBKBHT-UHFFFAOYSA-N 367.471 1.914 0 40 FDAB O=C(NC1CCCCC1)c1cn2c(nc1=O)C[C@@]1(CCN(CC3CC3)C1)C2 306133378 MJWHSUQFOZOKGD-OAQYLSRUSA-N 370.497 1.964 0 40 FDAB COCCN1CCC[C@@]2(C[C@H]3CN(Cc4cccc(OC)c4)C[C@H]2O3)C1=O 306129564 IGYIUJFAEYDBCR-ZVDOUQERSA-N 374.481 1.924 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)COCc2ccccc2)C1 1320135 RNQFBQHVXRAHLH-FHWLQOOXSA-N 354.450 1.845 0 40 FDAB biogenic NC(=O)c1n[nH]c2ccc(NC(=O)CN3C(=O)COc4ccccc43)cc12 535563976 OPEUTEAJAPNODB-UHFFFAOYSA-N 365.349 1.026 0 40 FDAB O=C(Cc1cc2ccccc2nc1O)N1CCC(c2nnc(O)o2)CC1 556812365 QDTFREZXXSWGSH-UHFFFAOYSA-N 354.366 1.978 0 40 FDAB CC(=O)N1CCn2c(nnc2C2CCN(C(=O)C3CCCCC3)CC2)C1 72372082 QBZKOJUBLWUZAW-UHFFFAOYSA-N 359.474 1.927 0 40 FDAB CO[C@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@]12C[C@H](C)C(=O)O2 70454845 TZPKEJFBTXRNTK-OSPICLMDSA-N 351.443 1.902 0 40 FDAB biogenic,in-vitro CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218636014 BGOVWFCZECJKAB-HEHGZKQESA-N 358.435 1.558 0 40 FDAB OC[C@H]1O[C@@H](Oc2ccc(Cl)cc2C2CCCC2)[C@H](O)[C@@H](O)[C@H]1O 38599764 OIPLGSGCPWWFRT-DRRXZNNHSA-N 358.818 1.176 0 40 FDAB in-vitro CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN(C)C)ccc21 225709915 NFPYJGBRPRCYLL-UHFFFAOYSA-N 357.501 1.874 0 40 FDAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1cccnc1 225583451 GLOSCPYQJCSSBK-UHFFFAOYSA-N 357.439 1.800 0 40 FDAB C[C@H](NC(=O)N1CCOCC(F)(F)C1)c1nnnn1-c1ccccc1 569896697 HSIXEIVZCWSLMK-NSHDSACASA-N 352.345 1.400 0 40 FDAB Cc1cccc(OCc2cn(CC(=O)NCc3cc(C)nn3C)nn2)c1 227161376 RTEGJEBVNINWJS-UHFFFAOYSA-N 354.414 1.524 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)Cc1ccccc1 193751850 DGRXVCQEFDQABH-UHFFFAOYSA-N 362.451 1.643 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)N1CCOCC1 225202897 ANKZEEIANDQJDS-CYBMUJFWSA-N 370.471 1.490 0 40 FDAB COc1ccc(-c2nnc([C@H]3CCN(C(=O)COCC(=O)O)C3)o2)cc1 49170920 VXHLIVJUIAQASU-LBPRGKRZSA-N 361.354 1.162 0 40 FDAB biogenic,in-vitro Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2cccnc2)C(=O)CO3)o1 96051338 PZITWXIZGLZNGG-LJQANCHMSA-N 357.410 1.617 0 40 FDAB Cc1ccc(CN2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)s1 96035970 XZYZIYSVCFLZJT-KRWDZBQOSA-N 350.488 1.362 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257343103 ZRMRHFWXUKAVFP-LJQANCHMSA-N 357.458 1.454 0 40 FDAB CCCn1nccc1C1CCN(C(=O)CNS(=O)(=O)C2CC2)CC1 585080062 GAYSEVDCLCGVIP-UHFFFAOYSA-N 354.476 1.081 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccnc3C)C2)ncn1 257250088 JKZFOVNLXZXABP-LJQANCHMSA-N 355.442 1.592 0 40 FDAB COc1nc(OC)nc(N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)n1 257210535 BVBUKTBDTNUDKO-AWEZNQCLSA-N 358.402 1.261 0 40 FDAB Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 257289567 PZFPQSQXSPMRIP-ZDUSSCGKSA-N 357.439 1.826 0 40 FDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2 604381655 JOVIXISHPXDACM-MRXNPFEDSA-N 371.472 1.818 0 40 FDAB biogenic,in-vitro Cn1cncc1-c1cncc(C[C@H]2CCCN(CC3(O)CCOCC3)C2)n1 257339066 ZABQZDOPAOJGJC-MRXNPFEDSA-N 371.485 1.673 0 40 FDAB COc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1 257214384 CLTQPIHIYYVLNM-BRWVUGGUSA-N 354.472 1.351 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1CC(=O)N1CCCCC1 257296526 RDEYRCDESZXJEP-KRWDZBQOSA-N 359.474 1.571 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCc2ccncc2OC)[C@H]1c1ccnn1C 614347265 FBCKPORLGYNCQG-KSSFIOAISA-N 371.441 1.440 0 40 FDAB CCOc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1C(=O)O 273626712 BTMILBMENZDBFV-UHFFFAOYSA-N 354.384 1.867 0 40 FDAB CC(=O)N1CCCC[C@H]1C(=O)N1CC(OCc2nnc(C(C)C)o2)C1 606445799 OAPUNZMTTMJGDO-AWEZNQCLSA-N 350.419 1.321 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CC(=O)NCc1ccccc1 1775957484 XCVAJGRIVPHRJK-GJZGRUSLSA-N 359.430 1.082 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112187 KSPLGJPJUMIQTE-MRXNPFEDSA-N 352.435 1.518 0 40 FDAB O=C(N[C@H]1CCOC2(CCN(C(=O)Cc3ccccn3)CC2)C1)C1CC1 585102383 DZVKIQWBMCSXCF-KRWDZBQOSA-N 357.454 1.691 0 40 FDAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cccc(OCC(N)=O)c1 69193534 TWVSEHDPDJZMKL-SUMWQHHRSA-N 353.422 1.918 0 40 FDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 58161989 MUJVAPOADUSCLS-ZDUSSCGKSA-N 357.458 1.688 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1COc2ccccc2O1 57568618 DWDXFTYYSDPKFL-AWEZNQCLSA-N 367.409 1.630 0 40 FDAB CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595093 WHEBHZPSFVXHBY-ZTFGCOKTSA-N 350.434 1.617 0 40 FDAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 5886163 RXHDXDIZHBDCNQ-UHFFFAOYSA-N 362.407 1.746 0 40 FDAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 13520473 XOFYZVNMUHMLCC-RBWSHPMZSA-N 358.434 1.766 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)ncnc21 13532149 AWBGFBKXKSTZLO-UHFFFAOYSA-N 372.410 1.743 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)cc1Br 15016700 OONZXGWAWZOTJP-LBPRGKRZSA-N 371.187 1.964 0 40 FDAB O=C(COC[C@H]1CCCO1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347241 PIFLKKRRCKAARO-MRXNPFEDSA-N 371.437 1.825 0 40 FDAB CN1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)OC2(C)C)C3)CC1 19460481 VJVISVDEUMPIFK-OAHLLOKOSA-N 372.469 1.512 0 40 FDAB CCN(CC)CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 19526332 UDNYOMAZWWABCS-OAHLLOKOSA-N 359.474 1.039 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526769 KNVMWZZOFDJBPK-KYZVSKTDSA-N 364.829 1.927 0 40 FDAB COc1ccc(OC)c([C@H](O)CN2CCN(Cc3ccccn3)CC2)c1 19551172 SRKNMUHVLZLKCP-LJQANCHMSA-N 357.454 1.950 0 40 FDAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)ncc1C(=O)N(C)C 19754260 ZSNFJDOKVODUPE-INIZCTEOSA-N 359.474 1.636 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nccn(C)c2=O)CC1 1888876052 IEGNFYSHAKRANE-UHFFFAOYSA-N 365.437 1.715 0 40 FDAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(CC(=O)NC2CC2)CC1 22932426 XJSGIKQCXNARKJ-LBPRGKRZSA-N 366.412 1.188 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cc(C)on3)CC2)n1 2087126087 LTUVKWYRDLMLMV-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 9570730 WHDZCZWGCMRCRW-UHFFFAOYSA-N 357.757 1.974 0 40 FDAB OCCN1CCN([C@@H](c2cccs2)c2sc3ncnn3c2O)CC1 22031024 WHZZMPMHJRSFCX-LBPRGKRZSA-N 365.484 1.257 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@](O)(c1ccoc1)c1cccs1 244969130 GZOICFALRMOEDF-KRWDZBQOSA-N 360.391 1.603 0 40 FDAB C[C@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccc(F)cc1 40009991 BCRIPABUURCRGX-NSHDSACASA-N 354.403 1.933 0 40 FDAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1COCCO1 30847015 HVQCCQKGSFZDBL-JTQLQIEISA-N 353.728 1.697 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1 31135171 BPCBZBCIRGYLRI-UHFFFAOYSA-N 363.395 1.175 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 21053798 ZVLGDVDPWVDIRH-ZIAGYGMSSA-N 368.499 1.708 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102395571 PFRXZTWGGYHPDL-KBPBESRZSA-N 358.394 1.652 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)NCc2nnc3n2CCCC3)CC1=O 41140368 IGMVENBNVRBFFI-OAHLLOKOSA-N 367.453 1.846 0 40 FDAB C[C@H](Sc1nnc(N)s1)C(=O)N1CCN(Cc2ccccc2)CC1 22357496 UQNKSXALWKCNNI-LBPRGKRZSA-N 363.512 1.945 0 40 FDAB O=C1C[C@H](N2CCN(C[C@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 103832256 YFFUAAZLPPQPTP-MSOLQXFVSA-N 357.454 1.111 0 40 FDAB O=C(CCNC(=O)NC1CCCCC1)NCc1cccnc1-n1cncn1 47122082 PDRLNUMFCVHLCI-UHFFFAOYSA-N 371.445 1.301 0 40 FDAB O=C(NCc1ccccn1)c1cc(Br)ccc1-n1cnnn1 12324865 HSCSPGDYPUJKNB-UHFFFAOYSA-N 359.187 1.750 0 40 FDAB Cc1cccn2c(=O)c3cc(C(=O)NCCCn4ccnc4)n(C)c3nc12 2917311 RBIMOCNCXCOONR-UHFFFAOYSA-N 364.409 1.511 0 40 FDAB Cc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccccc2C(=O)O)cc1 864273 DCHQETFIZCXJJE-ZDUSSCGKSA-N 365.407 1.411 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 3983676 HXAFKQFUZSHYEW-VOAKCMCISA-N 354.200 1.944 0 40 FDAB CC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)cc1 4251399 DZAASFFAFDWZLF-UHFFFAOYSA-N 358.383 1.054 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 4269861 OLIIMONMVGDYDK-GIPNMCIBSA-N 364.345 1.341 0 40 FDAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 6656852 UUTJPQMFJRYTSC-UHFFFAOYSA-N 371.393 1.787 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCOCC1 24336083 JJVXKCJWYFBIDM-UHFFFAOYSA-N 366.361 1.892 0 40 FDAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NC(=O)NCc1ccccc1 12528852 BWMRXINARCPWHA-XYPWUTKMSA-N 372.421 1.951 0 40 FDAB COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 8940514 KJGLVLPKQMEAOF-UHFFFAOYSA-N 351.406 1.844 0 40 FDAB C[C@@H](C(=O)OCC(=O)NCc1ccco1)N1C(=O)c2ccccc2C1=O 3246743 GMJLOYRBZFTEAF-NSHDSACASA-N 356.334 1.124 0 40 FDAB COCCN(CCOC)C(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3249919 BYFMQKIHRVIEFU-UHFFFAOYSA-N 365.213 1.667 0 40 FDAB Cc1ccccc1OCC(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3234722 JIZGZOXFPYLDOF-UHFFFAOYSA-N 357.362 1.962 0 40 FDAB CN(C)CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 22524860 PKGRFQNHTSJIRK-UHFFFAOYSA-N 367.515 1.684 0 40 FDAB NS(=O)(=O)c1cc(C(=O)OCc2nc(-c3ccsc3)no2)cs1 21839499 AQWREEKVOLZBEE-UHFFFAOYSA-N 371.421 1.864 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C(=O)O)c1 12734013 GCVBUAJAOZPJPD-SECBINFHSA-N 362.835 1.573 0 40 FDAB Nc1nccnc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 22892522 SNGDWBZOTKPTDZ-UHFFFAOYSA-N 366.347 1.825 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCO1 10865290 WHOJJGJQVJQMJD-RISCZKNCSA-N 364.423 1.280 0 40 FDAB CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10968083 VLQCDSBGKBBULJ-UHFFFAOYSA-N 372.816 1.812 0 40 FDAB CN(C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 103125889 IGDMDJXZOJIXND-IYBDPMFKSA-N 370.405 1.534 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 36728451 MAJUSILICVWHJW-UHFFFAOYSA-N 365.861 1.787 0 40 FDAB O=C1CSc2ccc(C(=O)NCCc3nnc4ccccn34)cc2N1 11545411 DCISLAIIUPKBCA-UHFFFAOYSA-N 353.407 1.746 0 40 FDAB CCOC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 11672488 KSRVTFXHMOHZQN-OCCSQVGLSA-N 369.439 1.276 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 12874468 WTOMMEWTOPPOEE-OAHLLOKOSA-N 370.471 1.563 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2C)n(C)c1 29707811 JWIAHBKDVZZYDF-UHFFFAOYSA-N 365.455 1.393 0 40 FDAB Nc1c(Cl)cc(S(=O)(=O)NC[C@H](O)c2ccccn2)cc1Cl 95462016 QETAKUZZTFXJJF-LBPRGKRZSA-N 362.238 1.983 0 40 FDAB Nn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1cccnc1 2627291 DHDWOQXWNYQIPB-UHFFFAOYSA-N 368.466 1.895 0 40 FDAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NC(N)=O 2653277 KLZYNEUYUSBHBE-VIFPVBQESA-N 350.762 1.574 0 40 FDAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccc2c(c1)NC(=O)CO2 12864281 LNOJAYHGTPUYFB-UHFFFAOYSA-N 360.414 1.978 0 40 FDAB CCc1sc(C(=O)OCC(=O)NCCCN2CCCC2=O)cc1C 12993193 CCASMCAWOZXHNY-UHFFFAOYSA-N 352.456 1.904 0 40 FDAB O=C(NCC(=O)N1CCCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13237403 NUMGULIFFTUVOU-INIZCTEOSA-N 372.425 1.475 0 40 FDAB O=C(NCCCOC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 8944328 XTZIWVJFWLTWDX-UHFFFAOYSA-N 367.471 1.340 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71288580 DELGLSCYFKFKPI-UHFFFAOYSA-N 351.322 1.392 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(NC(=O)NC3CCCCC3)C2)cc1 96004144 MVXUHVUBRFESLX-UHFFFAOYSA-N 367.471 1.700 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)cc1 96000567 HHFRKPQUUVHQMO-CQSZACIVSA-N 367.427 1.964 0 40 FDAB O=C(OCCN1CCNC1=O)c1cc(Br)c2c(c1)OCCO2 65591104 JVAJZATVXUMKAO-UHFFFAOYSA-N 371.187 1.402 0 40 FDAB CSc1ccc([C@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 20030478 BLOBYMRJIJVDLF-QMMMGPOBSA-N 355.441 1.133 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccco1 14139850 JNPXMBQVNHIBJD-CWTRNNRKSA-N 369.377 1.687 0 40 FDAB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1ccc(Br)cc1 408731614 OCUWUIXOQCQLHM-GFCCVEGCSA-N 353.220 1.750 0 40 FDAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 6588935 LAVLPVCLVWCDOJ-ZDUSSCGKSA-N 371.393 1.804 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 4723291 SDPVBDVGKPKMKR-UHFFFAOYSA-N 354.815 1.683 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2=O)cc1 6786836 DUJSTKUHFCKFHR-UHFFFAOYSA-N 353.444 1.278 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)c1ccc[nH]1 7653788 SFNUFFYRPIXWMA-HNNXBMFYSA-N 362.407 1.127 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc(Cl)c1 7883122 GSYHVBQDLZAPAH-GFCCVEGCSA-N 353.831 1.999 0 40 FDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 8323534 KTNKRDKXRXFBEK-HNNXBMFYSA-N 362.382 1.633 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O 8723634 LHLKDJXGRMWJPF-INIZCTEOSA-N 369.425 1.436 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71802764 ZDIHOIMGHFHYPR-LBPRGKRZSA-N 374.393 1.672 0 40 FDAB Cc1cc(=O)c(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cn1C 72401182 NPURSEYSZUDSNQ-NSHDSACASA-N 350.400 1.414 0 40 FDAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 408596229 RUNIKKOLKPGABG-AWEZNQCLSA-N 356.488 1.705 0 40 FDAB O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(C(=O)C3CC3)C[C@H]1C2 306134313 NISYEAXNRUVQAU-KGLIPLIRSA-N 351.410 1.571 0 40 FDAB COc1c(F)cc(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1F 75109179 ROFWLYQWWDDOLJ-CQSZACIVSA-N 371.384 1.978 0 40 FDAB COC(=O)c1coc(S(=O)(=O)NCCC(=O)Nc2cccc(C)n2)c1 89688949 PXFKNWSINGECIR-UHFFFAOYSA-N 367.383 1.077 0 40 FDAB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(N)=O)n2C)C(C)C)c1 409157483 JGPRBPRSTSQMMI-AWEZNQCLSA-N 361.471 1.828 0 40 FDAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CC2)cc1 67896965 WNMRJRGTWKPMBN-SJLPKXTDSA-N 362.426 1.332 0 40 FDAB biogenic,in-vitro CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)NC(C)C 408700848 MXHQRJHUOXCGSA-AWEZNQCLSA-N 370.471 1.681 0 40 FDAB COC(=O)c1ccccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)o1 408593488 PXXXGHARYFTYFF-MDWZMJQESA-N 370.317 1.711 0 40 FDAB O=S(=O)(NCc1ccncc1)c1ccc(S(=O)(=O)NC2CC2)cc1 35291186 OBZLWOUQPIKWSJ-UHFFFAOYSA-N 367.452 1.001 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)NCc2nnc3ccccn23)c1C 524734446 FPCKNVKZQASUBF-UHFFFAOYSA-N 354.399 1.313 0 40 FDAB O=C(NCCc1nnc2ccccn12)c1c[nH]c2ccc(F)cc2c1=O 72405320 KPQWCXINZUFMCA-UHFFFAOYSA-N 351.341 1.682 0 40 FDAB COCc1ccccc1C(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527581387 LKDFNFOHJKRAMV-SJORKVTESA-N 356.426 1.216 0 40 FDAB Cc1ncccc1CNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 527915740 ZYAGKZQYDPAUBO-QGZVFWFLSA-N 368.437 1.869 0 40 FDAB CC1CCN(C(=O)c2cn(-c3cc(N4CCOCC4)ncn3)cn2)CC1 49411286 VDBHFMZBCXXYMC-UHFFFAOYSA-N 356.430 1.371 0 40 FDAB CC(C)NC(=O)CCNC(=O)COc1nn(-c2ccccc2)cc1Cl 227152210 JAFXOYWYRKTHCW-UHFFFAOYSA-N 364.833 1.935 0 40 FDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)COc3ccccc3)C[C@H]21 514289256 GUIXWFQXOOEWFW-AEFFLSMTSA-N 370.380 1.949 0 40 FDAB biogenic,in-vitro CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC4CCOCC4)cn23)C1 96156305 WKEWHPQPFFEMFL-HNNXBMFYSA-N 371.441 1.222 0 40 FDAB CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)C1 332744141 WFHHHQZJKNGRBD-GOEBONIOSA-N 367.471 1.051 0 40 FDAB COc1ccc(CN2CCO[C@@]3(COCCN(CCN(C)C)C3)C2)cc1 96049779 UFOFTTRBRLAMID-HXUWFJFHSA-N 363.502 1.160 0 40 FDAB Cn1cccc1C(=O)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96229128 JJYZWNZWHZNOKE-LJQANCHMSA-N 355.442 1.574 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 96086795 WUKJWGYVUFTLLI-UHFFFAOYSA-N 368.503 1.036 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)CC3CC3)C2)C1 96225123 GKLHJQUGVYYQKV-IBGZPJMESA-N 356.426 1.635 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)n1 257337725 YUCVLXBLNODUBA-HNNXBMFYSA-N 356.430 1.867 0 40 FDAB CC(C)(C(=O)NC[C@]1(O)CCN(c2cnccn2)C1)c1cccc(F)c1 257309406 UAUXJYXGZMDVDU-LJQANCHMSA-N 358.417 1.651 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CN(Cc4ccccc4)CCO3)nc2n(C)c1=O 257218003 DBMIZBAZEWTZPH-KRWDZBQOSA-N 366.421 1.206 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cc(N2CC3(CCOCC3)OC2=O)nc(C)n1 257259615 KZCYSLGKYCPRCU-OAHLLOKOSA-N 360.414 1.974 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257206093 BBUYXNUWNXXMJW-AWEZNQCLSA-N 361.423 1.981 0 40 FDAB CCCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 257261075 LFPXINVOJOZBEN-CQSZACIVSA-N 363.487 1.964 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1 257270431 MUEVWAYEZWMULS-GOEBONIOSA-N 371.437 1.883 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cc(OC)cc(OC)c2)CCO1 257331339 XSLGQWDOZUETDT-HNNXBMFYSA-N 358.398 1.749 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCCCn2ccnc2)[C@H]1c1nccn1CC 1615547362 FCWIUVRENFMMHF-HOCLYGCPSA-N 358.446 1.216 0 40 FDAB COc1cc(S(=O)(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)ccc1F 643717985 NFFYEJLCBYCXBP-MFKMUULPSA-N 355.391 1.708 0 40 FDAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@](O)(CN2CCOCC2)C1 585182346 BOVBLNSEEIGSOH-FQEVSTJZSA-N 359.470 1.196 0 40 FDAB Cc1nc(/C=C/C(=O)N2CCC[C@](O)(CCC(=O)N(C)C)C2)cs1 585290950 YIYAYHZTJPSTQI-RTRPANQVSA-N 351.472 1.687 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093218 JUMYAYBZENZWGS-OAHLLOKOSA-N 358.410 1.873 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(\C)c3cccc(F)c3)C2)C1 685941654 FRVHQSNDBQEGLF-CYIWUNGXSA-N 359.401 1.034 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)n1 51412577 PQJRHTKHLNTSPN-UHFFFAOYSA-N 354.370 1.281 0 40 FDAB C[C@H](O)CCN(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 75092847 XPJXHWDWTORVOD-ZDUSSCGKSA-N 372.462 1.843 0 40 FDAB O=C(c1cc(S(=O)(=O)N[C@@H]2COc3ccccc32)c[nH]1)N1CCCC1 58507042 TZYZURWZLJOVSJ-OAHLLOKOSA-N 361.423 1.663 0 40 FDAB Cc1ccc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)cn1 1615161962 RGDLQSDHXPZHAV-ZWKOTPCHSA-N 350.459 1.925 0 40 FDAB CCCN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 5578820 FGZCPUQREKPSGD-UHFFFAOYSA-N 356.426 1.710 0 40 FDAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2ccn(C)c(=O)c2)on1 12337735 ZABMGWVEOQAROJ-UHFFFAOYSA-N 353.382 1.420 0 40 FDAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)Cc1c(C)noc1C)C2 19707425 VOYOGFVIDBXUQQ-HNNXBMFYSA-N 370.457 1.675 0 40 FDAB Cc1nc(CC(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cs1 19748962 BEXWQSKXKSEMAK-CQSZACIVSA-N 374.532 1.161 0 40 FDAB COc1ccc(CN2CCCC[C@H]3CN(C(=O)CNC(C)=O)C[C@H]32)cc1 19021387 NOZNLCHRASLBSY-PKOBYXMFSA-N 359.470 1.644 0 40 FDAB COc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1 5673438 RJESJYWCDOZYHH-UHFFFAOYSA-N 353.382 1.409 0 40 FDAB Cc1nc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)nc(O)c1F 1888853896 RSRFJFGOOSSBHJ-CQSZACIVSA-N 372.400 1.530 0 40 FDAB O=C(c1cn[nH]c1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888897100 ADWJBFMJLXQPQW-NSHDSACASA-N 353.386 1.266 0 40 FDAB O=C(Nc1ccncc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273360 DIODQOVWXTXWBE-ZDUSSCGKSA-N 354.366 1.780 0 40 FDAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCCCC3)cnc21 4479001 JJHKSRFZFQIXPV-UHFFFAOYSA-N 351.410 1.903 0 40 FDAB CCOc1ccc(N2C[C@@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)cc1 5191728 TWBOZVIJSIQCNG-HNNXBMFYSA-N 374.485 1.926 0 40 FDAB NC(=O)CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107537 KJNRIPWCWOXERM-UHFFFAOYSA-N 360.317 1.596 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)C1CC1 12071664 JNQANQRECFHDGC-UHFFFAOYSA-N 355.373 1.307 0 40 FDAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccccn1 12440686 SZXPZTRGBLCHCA-UHFFFAOYSA-N 350.396 1.699 0 40 FDAB O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CCc1ccccc1)c1cnccn1 2055729638 GPLRRZBMACKPGT-DFQSSKMNSA-N 366.465 1.929 0 40 FDAB O=C(c1nc2ccccc2s1)N1CCN(S(=O)(=O)C2CC2)CC1 42384054 XLPOAJAOPZPQCM-UHFFFAOYSA-N 351.453 1.546 0 40 FDAB O=C(c1ccccc1Br)N1CCC(N2C(=O)CNC2=O)CC1 245015252 LTEIUHXDAVWDJS-UHFFFAOYSA-N 366.215 1.606 0 40 FDAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C2 40091094 MENVCMMLGZPDTL-HIFRSBDPSA-N 354.497 1.552 0 40 FDAB NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 40158569 CXGDXPDGGSZKLC-OAHLLOKOSA-N 370.409 1.098 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N(CCO)CCO)cc1Br 41096517 RRBLRNXVFUSRNM-UHFFFAOYSA-N 352.250 1.041 0 40 FDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 102181093 YFNOWARRCOEZNN-OHEASWGXSA-N 362.455 1.779 0 40 FDAB C[C@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@H](C)O1 32770435 GVAVHHQXLDPYBW-STQMWFEESA-N 356.430 1.723 0 40 FDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 728822 ALTWQDPIELFMJX-CYBMUJFWSA-N 352.412 1.678 0 40 FDAB CCOc1ccccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 886520 GXQRYGYWBOWGLK-UHFFFAOYSA-N 363.439 1.563 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc21 43271741 WVZUMDHMPVNRFV-AWEZNQCLSA-N 355.398 1.354 0 40 FDAB CC(C)Oc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@H]3OC(C)(C)O[C@@H]32)cc1 103174830 GHCMMBAHVMTGNP-ILOCAZANSA-N 368.426 1.589 0 40 FDAB biogenic C[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 106670105 AHHMUQCSAVJBGZ-ATLSCFEFSA-N 369.465 1.945 0 40 FDAB CC[C@H](O)CN1CCC(NC(=O)Nc2ccc(OCCOC)nc2)CC1 95443118 HUKACVRUQBGWAN-INIZCTEOSA-N 366.462 1.464 0 40 FDAB Cc1nc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cs1 108533295 MDGXOKPRRIVFGL-IRXDYDNUSA-N 358.467 1.962 0 40 FDAB Cc1ccnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 12639501 BBBZFSPRCIMHLH-IBGZPJMESA-N 350.378 1.722 0 40 FDAB O=C(OCc1nnnn1-c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 58247374 XTTXEHZZUWIWKR-CQSZACIVSA-N 363.377 1.759 0 40 FDAB O=C(NC1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1)C1CC1 58426402 GGXWWKHKIZWMAZ-UHFFFAOYSA-N 357.454 1.654 0 40 FDAB CN1C(=O)N(CN2CCCCC2)[C@@H]2[C@@H]1N(CN1CCCCC1)C(=O)N2C 2294727 JYSKIOGSQXTMEV-IYBDPMFKSA-N 364.494 1.260 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 10924489 XTTZQVDVNRCEMO-UHFFFAOYSA-N 359.354 1.829 0 40 FDAB CC(=O)c1cccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 100400797 AQUHYYGXVTUYLQ-FRFSOERESA-N 364.467 1.960 0 40 FDAB Cc1nnc(SCc2cc(=O)n(C)c(=O)n2C)n1Cc1ccccc1 11385068 AOSXLTZLVLCGQX-UHFFFAOYSA-N 357.439 1.325 0 40 FDAB COc1ccnc(C(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)c1 96002943 BFODICQPYUKWAA-AWEZNQCLSA-N 357.414 1.182 0 40 FDAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3nonc3N)nc21 9261894 IOKMCSRBMSIAMB-UHFFFAOYSA-N 370.398 1.695 0 40 FDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 13728298 CAPWBSLLVDCLPF-AWEZNQCLSA-N 368.455 1.628 0 40 FDAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 9306589 VDCQUUIQIMJQKX-UHFFFAOYSA-N 352.394 1.573 0 40 FDAB COC(=O)[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 4772490 VYNVKLNZTBIZJF-HNNXBMFYSA-N 351.362 1.578 0 40 FDAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(F)cc1F 4784031 JYPBNFSJNRBPRB-GFCCVEGCSA-N 365.288 1.278 0 40 FDAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 19820904 UGFBROGLNGBWAB-HOTGVXAUSA-N 357.497 1.284 0 40 FDAB CNC(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 7575868 RWRSZZNXHAOHQE-HXUWFJFHSA-N 351.406 1.845 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)[C@@H](C)Oc2cccc(C)c2)c(=O)[nH]c1=O 7799504 GRXPRAUMVFXCGB-CYBMUJFWSA-N 374.441 1.658 0 40 FDAB Cc1nc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c(=O)[nH]c1C 95441923 CJUWJNRJUNDBLX-UHFFFAOYSA-N 358.417 1.874 0 40 FDAB Cc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1S(N)(=O)=O 95435910 BZUSIRBDSJNKSH-CYBMUJFWSA-N 353.488 1.493 0 40 FDAB O=C([C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1)N1CCOCC1 8504296 KTTNNYSFUBUWQX-AWEZNQCLSA-N 360.439 1.599 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408589998 GPIPVCOVZDPJHZ-ZDUSSCGKSA-N 358.460 1.212 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)c1 306141462 VWWZWNBHTHIMJI-USXIJHARSA-N 374.466 1.533 0 40 FDAB C[C@H](C(=O)NCCCn1ccnc1)N(c1ccccc1)S(C)(=O)=O 408622890 WRJIXYJGAVXZGO-CQSZACIVSA-N 350.444 1.244 0 40 FDAB O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524729239 KVCNDXZOZJNJOA-XUWXXGDYSA-N 365.437 1.945 0 40 FDAB biogenic Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1 32767996 MDPWGKIYCLFYFD-ZYHUDNBSSA-N 351.428 1.836 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccccc3C)c(=O)cc2C1 67318860 QQZJLRYXPZULEV-UHFFFAOYSA-N 370.409 1.705 0 40 FDAB COCCn1ccc2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cccc21 79492051 XZITXOCDHPNIQN-UHFFFAOYSA-N 365.455 1.005 0 40 FDAB O=C(O)[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504837 NQRJUERJIVZLHG-VYDXJSESSA-N 350.367 1.829 0 40 FDAB CCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 72241394 DTBLMWUXNYFWNZ-SJORKVTESA-N 365.861 1.402 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 223274427 ALVMYOFBQZSZMJ-UHFFFAOYSA-N 368.842 1.943 0 40 FDAB O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCOC[C@H]1c1ccccc1 332863104 ANEXDFHHOCYYCX-HOCLYGCPSA-N 352.456 1.594 0 40 FDAB COc1ccc(-n2cc(C(=O)NCCCn3ccnc3)ccc2=O)cc1 96192085 JDFWBMHFZNUOLG-UHFFFAOYSA-N 352.394 1.863 0 40 FDAB Cc1ccc(CN2CCO[C@]3(COCCN(CCN(C)C)C3)C2)s1 96229387 AWYHNNIXIJOMKF-SFHVURJKSA-N 353.532 1.521 0 40 FDAB COc1cccc(CN2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)c1 96217329 YTIFEARTFKVZMQ-NVXWUHKLSA-N 354.472 1.368 0 40 FDAB O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 96227482 LFWAFEGDDNHVLL-MJGOQNOKSA-N 371.462 1.799 0 40 FDAB COCCN1CC2(CCN(c3cc(OC)ncn3)CC2)C[C@@H]1COC 96206082 LOTNRVUTUXADFF-OAHLLOKOSA-N 350.463 1.439 0 40 FDAB Cc1csc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1 96215794 OMZOXHITEQGKJQ-RRFJBIMHSA-N 351.472 1.985 0 40 FDAB COc1cc(=O)n(CC(=O)NCc2cnn(C)c2C)nc1-c1ccccc1 96184126 FLNSXOAWLZLARG-UHFFFAOYSA-N 367.409 1.277 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCc2ccc4c(c2)CCCO4)[C@H]3C1=O 249688289 IGZBOWFVSHHOBF-OEMYIYORSA-N 368.433 1.430 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248288282 HRTAGXZCVMIAKW-IFIYUWNVSA-N 372.421 1.621 0 40 FDAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 244947584 DMZXHQYQPPTIDA-UHFFFAOYSA-N 374.344 1.132 0 40 FDAB CCCCS(=O)(=O)N1CC[C@H](CN=c2[nH]c(=N)c3ccccc3[nH]2)C1 585080302 CDSLMMBRIOQMDB-CYBMUJFWSA-N 363.487 1.328 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCCc1cccs1)CN(C1CCOCC1)C2 248008703 CUXNOVUSTLCPOV-INIZCTEOSA-N 374.510 1.919 0 40 FDAB COCCN1C(=O)CO[C@H]2CCN(C(=O)CCC3CCCC3)CC[C@@H]21 257218274 DCMCPAZXOVTNMM-IRXDYDNUSA-N 352.475 1.822 0 40 FDAB COc1cccc(Cc2cncc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2)c1 257324929 WQUFZIUTZDHVRX-KRWDZBQOSA-N 374.462 1.940 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CCCCN)C2)c2cnccc2n1 257273186 NFOVUJQLJVBBJW-HXUWFJFHSA-N 371.485 1.515 0 40 FDAB COCCOc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)ccn1 253473389 USIYZPJKCIMJFP-MRXNPFEDSA-N 358.394 1.621 0 40 FDAB COc1cccc(S(=O)(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)c1 257226787 FMEULCIMFFMWDB-HZPDHXFCSA-N 352.456 1.859 0 40 FDAB C[C@@H]1CN(c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)C(=O)O1 257251979 JTCUAGFMSNBTIN-GFCCVEGCSA-N 353.444 1.641 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)no1 257256665 KMKDKCPZQFGDQI-NSHDSACASA-N 352.416 1.205 0 40 FDAB NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 95503886 KCXHCKJBATUXHM-HNNXBMFYSA-N 351.410 1.870 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)C1(CO)CC1 617911712 XTWVXGMMDDMZJK-WDEREUQCSA-N 360.863 1.284 0 40 FDAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(F)cnc3O)c2)CC1 621965509 TWQUYQLALHRJDE-UHFFFAOYSA-N 372.400 1.843 0 40 FDAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)c1C 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CC(C)(C)[C@H](NC(=O)NCc1cccnc1)c1nc(-c2nc[nH]n2)no1 95972762 FSDJOPMANJKZFI-LLVKDONJSA-N 356.390 1.836 0 40 FDAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1OC 11851435 ISACSDDKCVULFV-UHFFFAOYSA-N 358.397 1.968 0 40 FDAB CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 12547735 FHSVGJZMWZYEFE-UHFFFAOYSA-N 367.365 1.150 0 40 FDAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)O 12872250 GODXLZNGTDSLHN-VIFPVBQESA-N 360.819 1.327 0 40 FDAB CC(C)Oc1ccc(Oc2nc(N(C)C)nc(N3CCOCC3)n2)nn1 16850239 NDIOKEXXPSGJBN-UHFFFAOYSA-N 361.406 1.144 0 40 FDAB Cc1ccc([C@]2(O)CCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)cc1 19717758 NCACPKREEYXLDP-FQEVSTJZSA-N 363.421 1.769 0 40 FDAB COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 4145292 HRXJCJCATKPSHE-RHSMWYFYSA-N 357.410 1.667 0 40 FDAB CC(C)C[C@@H]1NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O 12601848 WFDCKCJCQVBBTE-ZDUSSCGKSA-N 354.451 1.463 0 40 FDAB COCc1nsc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888853832 CUOVMRRVTBICOS-STQMWFEESA-N 358.423 1.306 0 40 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COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Cc1ccccc1 10109652 BHGMLCMZTGMIKA-KRWDZBQOSA-N 354.406 1.246 0 40 FDAB C[C@H]1CN(CCCCNC(=O)c2cnn(C)c2-n2cccc2)C[C@H](C)O1 75107649 GLABMPWIVVBHQN-HOTGVXAUSA-N 359.474 1.830 0 40 FDAB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2279509 JBYVWMGAQVTMOK-MRXNPFEDSA-N 356.378 1.900 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100899633 JFUOZIQMCIFVJZ-FHZGENKASA-N 368.433 1.498 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H]1CC=CCC1 10851053 DBSOXNJLYWGJRI-AWEZNQCLSA-N 360.410 1.958 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC1 22535120 JJGMXYOODTUYTD-UHFFFAOYSA-N 369.439 1.578 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1C 3322989 ZVDQVEDKPAIVPR-UHFFFAOYSA-N 357.414 1.561 0 40 FDAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 11665627 PYMUAFIBCZTBIE-YOEHRIQHSA-N 357.410 1.715 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)C(=O)NCc1ccccc1 55345100 OSZIMZHGKNWYFU-PBHICJAKSA-N 371.437 1.855 0 40 FDAB Cc1ccccc1OCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 55954579 SEJAMMCQYNRDQA-IYBDPMFKSA-N 356.422 1.831 0 40 FDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100042413 DVBFBXSDQHIYIZ-VHSXEESVSA-N 355.272 1.086 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCC(F)(F)F 2624002 WAKBOWUJSPFIJA-OAHLLOKOSA-N 355.316 1.449 0 40 FDAB COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 3477205 SFLCTOZEMVBEPX-UHFFFAOYSA-N 354.472 1.467 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1OC 12216547 RGRBOHWMYSFSRB-UHFFFAOYSA-N 366.464 1.863 0 40 FDAB CC(=O)NCCNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 13071389 DGJNUBKDFDQYRX-UHFFFAOYSA-N 355.199 1.106 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(C)c1C 13260673 DAPROGFBBDJPLE-GFCCVEGCSA-N 354.428 1.148 0 40 FDAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N3CCOCC3)CS[C@H]21 4081634 MUKKACSUTKWROH-APPDUMDISA-N 364.423 1.132 0 40 FDAB biogenic COCCOc1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cn1 95457660 IOIZQGMIAYQLHI-DYVFJYSZSA-N 351.403 1.566 0 40 FDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1N=C(N2CCOCC2)N=C1O 13728970 LKOYJJBEVMQERQ-LBPRGKRZSA-N 366.805 1.704 0 40 FDAB COC(=O)c1cc(CNS(=O)(=O)c2c(C)n[nH]c2C)ccc1OC 14066054 NLCITVNSGRFGLQ-UHFFFAOYSA-N 353.400 1.300 0 40 FDAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 7093972 LYYFPDPKHGCTGD-NEPJUHHUSA-N 367.496 1.699 0 40 FDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 69321926 HRWXLRDDKNRJSE-LBPRGKRZSA-N 369.429 1.807 0 40 FDAB CC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943129 DKZQKBCDNUKMQS-GFCCVEGCSA-N 356.444 1.876 0 40 FDAB CCOc1ccc(OCCNC(=O)c2cnc3sccn3c2=O)cc1 8402850 TYZAOJCIIIJEGX-UHFFFAOYSA-N 359.407 1.964 0 40 FDAB CO[C@@H](C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 69521495 ITEUNTONFDBXJU-MRXNPFEDSA-N 362.407 1.838 0 40 FDAB Cc1nc(CN2CCN(C(=O)NCCN3CCCC[C@H]3C)CC2)no1 72289181 PUGOOCJOUPGVKA-CQSZACIVSA-N 350.467 1.080 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)o1 95948911 QCUAOFDJCQFGLF-UHFFFAOYSA-N 370.427 1.581 0 40 FDAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N4CCOCC4)CC3)cnn2c1 72392076 YJJSNARXHHVKMO-UHFFFAOYSA-N 371.441 1.139 0 40 FDAB CCOC(=O)c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 26936051 TXNFDSAUGYVTLZ-UHFFFAOYSA-N 354.428 1.473 0 40 FDAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCO 33871290 YCQKUZFELZQRIU-MRVPVSSYSA-N 355.243 1.159 0 40 FDAB C[C@H](Oc1ccc(NC(=O)c2noc3c2COCC3)cc1F)C(=O)O 527599303 WVWRFUTYURSWBN-QMMMGPOBSA-N 350.302 1.991 0 40 FDAB O=C(c1ccco1)N1CCN(CC(=O)N2N=CC[C@H]2c2ccccc2)CC1 35852035 LRRHVCYFFKWATA-KRWDZBQOSA-N 366.421 1.997 0 40 FDAB C[C@]1(NC(=O)CN2CCCc3cc(F)cc(F)c32)CCS(=O)(=O)C1 36754137 YWEPUIWTWRYMEX-INIZCTEOSA-N 358.410 1.411 0 40 FDAB COc1cccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 32643071 YAFOENXOZRJSII-UHFFFAOYSA-N 361.423 1.364 0 40 FDAB COc1cccc(CC(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c1 72346934 FJAWPOJUINJLIV-UHFFFAOYSA-N 368.437 1.506 0 40 FDAB S=C(NCCCN1CCOCC1)Nc1ccc(Br)cn1 225195013 AJYDADMJDUKOCU-UHFFFAOYSA-N 359.293 1.853 0 40 FDAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2cccnn2)C1 225417814 WHXYBGVXVGSMFI-INIZCTEOSA-N 367.409 1.399 0 40 FDAB O=C(NCCn1cnc2ccsc2c1=O)c1cnc(O)c(Cl)c1 225775700 AUXRJNMIQVIVIP-UHFFFAOYSA-N 350.787 1.642 0 40 FDAB O=C(CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)NCc1ccco1 96128262 NSJOFOVMZCWDIT-ZDUSSCGKSA-N 368.480 1.647 0 40 FDAB O=C1CN(C(=O)NCc2ccc(OC(F)F)cn2)[C@@H]2CCCC[C@@H]2N1 332124278 GPJFIUFMOSAZGL-QWHCGFSZSA-N 354.357 1.636 0 40 FDAB Cc1nc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cs1 96225601 SSYSKMHBZOOKDQ-WMLDXEAASA-N 364.471 1.468 0 40 FDAB COc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCn1cnnn1 524733334 ISNLBHZHUNZILQ-UHFFFAOYSA-N 358.402 1.337 0 40 FDAB COCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 242952897 HGAAJMAJPMMOHO-UHFFFAOYSA-N 355.243 1.522 0 40 FDAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CCCN)C3)c2n1 257274359 NKRBGWKURKVDLU-IBGZPJMESA-N 357.458 1.077 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CCN1CCc1ccccc1 257213947 CJURYRLOONQMTE-LJQANCHMSA-N 366.465 1.505 0 40 FDAB Cc1nn2c(=O)c(=Cc3ccc(-c4ccc(F)cc4)o3)sc2nc1=O 263631439 ZEFZXAGTKGHCOA-UHFFFAOYSA-N 355.350 1.766 0 40 FDAB Cn1ccnc1CN1CCCN(C(=O)c2ccc3c(c2)nc(O)n3C)CC1 598935699 VLPARUZMIRJBHD-UHFFFAOYSA-N 368.441 1.361 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1Cc1cc2c(cc1Cl)OCCO2 643829714 IATOFEUBQCJZMA-QGZVFWFLSA-N 354.834 1.838 0 40 FDAB COc1ccc(C(=O)N[C@H]2CCCCN(Cc3nc(C)no3)C2=O)cc1 643928133 XNXLTHPKRJLYHS-HNNXBMFYSA-N 358.398 1.698 0 40 FDAB O=C(NC[C@@H](O)Cc1cccc(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1 652591137 XWBQFYQZXUTGSM-IRXDYDNUSA-N 362.405 1.926 0 40 FDAB COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H](C)C2 585097371 JPUMCUOTBSEDLB-LBPRGKRZSA-N 358.398 1.169 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NS(=O)(=O)Cc2ccc(C)c(F)c2)n[nH]1 685940447 AHIINKXVUZAPBY-UONOGXRCSA-N 354.407 1.510 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1 60389403 TVNCCFPTOMJLLY-ZDUSSCGKSA-N 367.471 1.714 0 40 FDAB CCOc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85467081 PKELVWLIKFWRMN-OAHLLOKOSA-N 354.472 1.163 0 40 FDAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)CC[C@H]1NC(=O)NC1=O 12229458 VKZIBDCRSXEQPY-ZIAGYGMSSA-N 372.450 1.840 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CSCc3nc(N)nc(N)n3)n2)cc1 12542410 FEQJOJYIOGUZSD-UHFFFAOYSA-N 370.446 1.289 0 40 FDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14153576 MDFJVQNABQCNGW-RISCZKNCSA-N 360.863 1.790 0 40 FDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(OC)c1 16188338 QPUQUAIGDQHEOM-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB CC(=O)N[C@H]1CN(C(C)=O)C2(CCN(C(=O)CCc3ccccc3)CC2)C1 19704875 FSRBHTOKVQXTHT-LJQANCHMSA-N 371.481 1.737 0 40 FDAB O=C(NCCN1CCN(c2ccccc2F)CC1)NC[C@@H]1CCCO1 225551821 AJGBTUYODBCVDL-HNNXBMFYSA-N 350.438 1.426 0 40 FDAB Cc1ccc(SCC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 22302346 SIIKCTBXGDDERK-CYBMUJFWSA-N 371.480 1.276 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O 5637400 ZINWNDPMMUEOPE-UHFFFAOYSA-N 364.833 1.319 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)C)ccc1OC 21872449 IIBVRZXVMLJEJQ-GFCCVEGCSA-N 358.460 1.394 0 40 FDAB Cc1cc(N2CCO[C@H](C(=O)N3CCSCC3)C2)n2nc(C)cc2n1 1888856606 IOGYUTCKSLAJKD-AWEZNQCLSA-N 361.471 1.127 0 40 FDAB Cc1nc(N2C[C@H]3CN(c4ncnc5c4CCC5)C[C@@H]3C2)nc(O)c1F 1888866369 NCTNFVWRMJDGOM-VXGBXAGGSA-N 356.405 1.481 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)Cc4ccc(F)cc4)C[C@H]3C2)nc(O)c1F 1888873374 UCIWCHVIHNTBCI-KBPBESRZSA-N 374.391 1.906 0 40 FDAB O=C(c1cnccn1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839734 BWBGGDCJFHJBIF-SFHVURJKSA-N 356.357 1.264 0 40 FDAB COc1cnc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)cn1 2056223844 GWVATHQRBYSSAT-OKILXGFUSA-N 354.414 1.264 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cs1 1614932683 LVJIRHFOAXUQMP-DOTOQJQBSA-N 358.467 1.820 0 40 FDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)NCC(F)(F)F 1565551669 JHKSRZYXHKVXQL-KFWWJZLASA-N 357.376 1.987 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 1565548787 JOUUXPRPXSRDHZ-LDDOYCOJSA-N 363.483 1.481 0 40 FDAB CCOC(=O)Cc1nnc2c(Nc3ccccc3OC)nc3nonc3n12 820933 WGMYUFAUFJOMJJ-UHFFFAOYSA-N 369.341 1.518 0 40 FDAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)c1 2410972 ALLRYESENOQYEZ-ZDUSSCGKSA-N 359.329 1.629 0 40 FDAB O=C(Cc1cccc(F)c1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732344 CGMVFGNOEZAOHM-INIZCTEOSA-N 373.428 1.862 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccnnc2)C1 2055771542 GNWDMVWFTTZISR-LJQANCHMSA-N 353.426 1.652 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)[C@@]2(CCNC2=O)C1 2055806618 ZZLCODBSJIDLBH-IBGZPJMESA-N 359.474 1.110 0 40 FDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccncc1 23107302 XLNNANYISGVVIN-QGZVFWFLSA-N 372.400 1.349 0 40 FDAB O=C([C@@H]1CN(c2nc3cc4c(cc3s2)OCO4)CCO1)N1CCCC1 2086869003 QVMCYYBYEDGEIZ-AWEZNQCLSA-N 361.423 1.853 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CC(Oc4nccs4)C3)CC2=O)cc1 206919591 NBRJLSOXAXIGCU-LBPRGKRZSA-N 373.434 1.794 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440735 XJQVOAKMQYBKAV-SNVBAGLBSA-N 364.448 1.775 0 40 FDAB CCCn1nnnc1CN1CCC(NC(=O)CCc2ccccc2)CC1 40120478 CCEUGHYZJVZTDL-UHFFFAOYSA-N 356.474 1.797 0 40 FDAB COc1ccc2c(c1)c1ncn(CCCN3CCOCC3)c(=O)c1n2C 20518427 AFIQKGQJDGBSIA-UHFFFAOYSA-N 356.426 1.619 0 40 FDAB O=C(OCn1nnc2ccccc2c1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101745818 UYZJQTQJQVHCMC-NYYJTOMGSA-N 355.394 1.624 0 40 FDAB O=C(Cn1cnnn1)Nc1ccnn1Cc1cccc(Cl)c1Cl 32810818 NXWHKMRZFQPJIS-UHFFFAOYSA-N 352.185 1.863 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCN1S(C)(=O)=O 52610675 JLBRIOPQZCOPBJ-ZDUSSCGKSA-N 354.428 1.188 0 40 FDAB CCN(CC)Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 53553268 PAYHNGGBSJSESH-UHFFFAOYSA-N 370.457 1.414 0 40 FDAB Cc1nnc(SCC(=O)Nc2csc3nc(=O)c(C)nn23)s1 12323364 GBFLELQFNFIQMU-UHFFFAOYSA-N 354.442 1.350 0 40 FDAB CC(C)CCn1nc(C(=O)O[C@H](C)C(=O)NC(N)=O)c2ccccc2c1=O 84510831 ODPRCXBULYEWGM-LLVKDONJSA-N 374.397 1.183 0 40 FDAB COC(=O)CN(Cc1nc(N)nc(Nc2ccc(F)cc2)n1)CC(C)C 79098168 ARIGZYCIQZFOFN-UHFFFAOYSA-N 362.409 1.968 0 40 FDAB Cc1nnnn1-c1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 79193234 AXIKWPVEHAWWTN-FUHWJXTLSA-N 354.458 1.965 0 40 FDAB biogenic Cc1nn(CCC(=O)NCCCN2CCCC2=O)c(C)c1Br 2779067 VREYLVIQMRTXNX-UHFFFAOYSA-N 371.279 1.781 0 40 FDAB O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 6402171 QCSIBHNJKGAVIE-CYBMUJFWSA-N 355.232 1.864 0 40 FDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 6742004 ZITSWVTWVKXAFX-OHFALNGGSA-N 372.421 1.844 0 40 FDAB O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 106857917 XXGLCVJYUUMLJT-RFBLXINOSA-N 372.556 1.718 0 40 FDAB CC1(C)NC(=O)N(CCCSc2nnc(N3CCOCC3)s2)C1=O 58167659 OTVNPENACBNXGX-UHFFFAOYSA-N 371.488 1.187 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2nc[nH]c(=O)c2c1 58201219 DPBYPHAQLPDGGG-UHFFFAOYSA-N 362.345 1.548 0 40 FDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCn1cccn1 48291075 UVVRLMPVUPFMKN-MRXNPFEDSA-N 357.393 1.307 0 40 FDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)CC1 2281120 NKRFLWQAPQVESS-UHFFFAOYSA-N 358.398 1.090 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)CCCn1cnc2c(C)cccc2c1=O 10758545 BDWMYZBSNBUMPO-AWEZNQCLSA-N 358.442 1.516 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c1 22230043 GHHXISYFEGBSMS-OAHLLOKOSA-N 368.455 1.016 0 40 FDAB CS(=O)(=O)N1CCC2(CCCN(Cc3cccc(F)c3)C2=O)CC1 108529335 FNZYKYYSHPTDTO-UHFFFAOYSA-N 354.447 1.990 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(OC)cc1OC 2421015 CWLCLCVGIQGILJ-ZDUSSCGKSA-N 356.444 1.798 0 40 FDAB CC(C)[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 36841216 CPTDMRFBJHUTRN-GFCCVEGCSA-N 358.435 1.621 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)ccc21 60344846 MXTCYFVERLQJFS-QGZVFWFLSA-N 357.454 1.972 0 40 FDAB Cc1cc(NC(=O)Cn2c(=O)c(N3CCOCC3)nc3ccccc32)no1 2655608 LNBXISOZZKOOHU-UHFFFAOYSA-N 369.381 1.168 0 40 FDAB COCCn1nc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)ccc1=O 49574134 FVDKVVFVAQTJLP-UHFFFAOYSA-N 374.437 1.832 0 40 FDAB O=C(c1ccccc1Br)N1CCN(C(=O)[C@H]2CCCO2)CC1 49941976 CZEWFXARPWJNHX-CQSZACIVSA-N 367.243 1.913 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CC[C@](CO)(CCO)O2 4424621 XYPPDQHBNJURHU-BVMLLJBZSA-N 356.503 1.855 0 40 FDAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NC1CCCCCC1 4485082 UFVUGWAUGLOWDV-UHFFFAOYSA-N 373.409 1.072 0 40 FDAB COC(=O)c1sc(NC(=O)COC(=O)C2CCC2)c(C(=O)OC)c1C 6552241 JZYBGUDDRRRXBH-UHFFFAOYSA-N 369.395 1.912 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 5628576 YJDDEGBYMBHWLS-UHFFFAOYSA-N 359.382 1.045 0 40 FDAB NS(=O)(=O)c1ccc(CCC(=O)NCCc2cccc(F)c2)cc1 15183871 IVLQLFAHRUIWBH-UHFFFAOYSA-N 350.415 1.765 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC2(Cl)Cl)NC(=O)N[C@H]1CC 7814393 ANGOBRZQWOONRJ-SFYZADRCSA-N 365.213 1.632 0 40 FDAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)c(OC)c1 9595173 RAXDNZLRSJTMLE-GOSISDBHSA-N 372.381 1.974 0 40 FDAB CC(=O)N1C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)Oc2ccccc21 7985710 ZFGUNNJRHAJULN-QGZVFWFLSA-N 364.365 1.415 0 40 FDAB O=C(C1CCN(Cn2nnc3ccccc3c2=O)CC1)N1CCCCCC1 8186142 GVSRWUZNDYNFBI-UHFFFAOYSA-N 369.469 1.864 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 8211906 VCRVESYZGFGTTF-OAHLLOKOSA-N 374.393 1.389 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@@H]3C4)n2)n1 170612062 GEQSWXYVEMWUJG-BZUAXINKSA-N 353.426 1.374 0 40 FDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCc1ccco1 71848353 JOMXYVLRSBVHBX-CYBMUJFWSA-N 350.440 1.992 0 40 FDAB Cc1ncc(S(=O)(=O)NC2CCN(C(=O)c3ccco3)CC2)s1 84290652 LLEUSUUEBSUXRI-UHFFFAOYSA-N 355.441 1.628 0 40 FDAB CCOc1ccc(OCCNC(=O)CN[C@@](C)(CC)C(=O)OC)cc1 95398692 LNTJNTCATWOLTR-SFHVURJKSA-N 352.431 1.512 0 40 FDAB C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)s1 95457484 ZOYYBSAXMRYKDU-AAEUAGOBSA-N 358.485 1.574 0 40 FDAB NC(=O)N[C@H]1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 95447648 UWIMPPSAPLAUPK-ZDUSSCGKSA-N 358.423 1.883 0 40 FDAB Cc1cc(NC(=O)c2[nH]nc3c2CCCC3)n([C@H]2CCS(=O)(=O)C2)n1 95478440 UGHUTHKOFPMPMW-NSHDSACASA-N 363.443 1.405 0 40 FDAB NC(=O)C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)C1CCOCC1 89857563 OKCHNBGLBSLQSO-INIZCTEOSA-N 366.425 1.898 0 40 FDAB CN(C)CC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(C)(C)C 76016676 MCNRGJWNVBKAKU-INIZCTEOSA-N 359.474 1.664 0 40 FDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409065014 KFKBWQCEXBQVEG-SZJBZFAYSA-N 365.363 1.748 0 40 FDAB CCCCNC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 67226515 OCVCSMVQXKLMGR-UHFFFAOYSA-N 369.425 1.791 0 40 FDAB COc1ccc(Cl)c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c1 548531564 UVVCTCWAJLVUNK-BXKDBHETSA-N 363.819 1.507 0 40 FDAB Cc1csc(NC(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 32094842 QIMZNMDVZPZNOU-CYBMUJFWSA-N 372.450 1.949 0 40 FDAB O=C(c1cnccn1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 31042543 OYWROJPWTIAFKE-UHFFFAOYSA-N 356.411 1.546 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 72378004 WWVGFLHECJFZJN-OAHLLOKOSA-N 368.441 1.766 0 40 FDAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCO)c1ccccc1 217458269 FXIQASVKXXJSSF-GFCCVEGCSA-N 364.423 1.829 0 40 FDAB CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cccc2ccccc12 44791607 RWNZHGOZVAFKLF-HNNXBMFYSA-N 362.451 1.901 0 40 FDAB CCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957141 WZKZHGNIHBTJIO-HNNXBMFYSA-N 358.460 1.218 0 40 FDAB CCOc1ncccc1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225447588 LGFBXPMELRSNSW-CYBMUJFWSA-N 357.414 1.630 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCO)ccc32)cc1 223380512 RLJLLRODSMHZTI-UHFFFAOYSA-N 360.435 1.469 0 40 FDAB Cn1cc(CN2CCC[C@]3(C(=O)O)CN(c4ncccn4)C[C@@H]3C2)cn1 96185226 KCBBVYTYMNUDCH-YJBOKZPZSA-N 356.430 1.013 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ccccc3n1)C2 247828405 GTUFZGNAARWPGD-AWEZNQCLSA-N 360.435 1.511 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230098 LPXSMCWEPXOGPJ-KYZVSKTDSA-N 364.829 1.783 0 40 FDAB CC(C)[C@@H]1COC(=O)N1c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257307751 TTYBTBXROFEKBL-AWEZNQCLSA-N 368.459 1.597 0 40 FDAB CN(C(=O)c1cc(COc2ccc(F)cc2)on1)[C@@H]1CC[C@@H](O)[C@@H]1O 257231265 GFZFDYOPNYJZEA-BZUAXINKSA-N 350.346 1.349 0 40 FDAB COCCOc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cn1 266990643 ULWVHQFAIIIHJL-UHFFFAOYSA-N 364.446 1.435 0 40 FDAB Cc1nccc([C@H]2CCCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 613508303 AVAZWOASSLNHGA-KRWDZBQOSA-N 371.485 1.045 0 40 FDAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 646035873 WWLGBMPFUKSEPA-OAHLLOKOSA-N 363.439 1.949 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(C(=O)c2cc(N(C)C)ccn2)C1 1775957525 YWYUFINAJHOETC-HIFRSBDPSA-N 356.430 1.288 0 40 FDAB NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc4c(c3)CCOC4)CC2)O1 1775957797 NUXMKIWAEHLETG-ZWKOTPCHSA-N 358.438 1.644 0 40 FDAB COc1ccc(Br)c(C(=O)N2CC(Cn3ccnn3)C2)c1 1775967316 LWAJZRIKKTUERF-UHFFFAOYSA-N 351.204 1.821 0 40 FDAB C[C@@H]1CC[C@@H](NC(=O)N[C@H]2COc3ccc(F)cc3C2)CS1(=O)=O 664916636 PBEPZKQSEAKNBX-LERXQTSPSA-N 356.419 1.394 0 40 FDAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 43585310 UKBWWDIAFBMWRP-UHFFFAOYSA-N 362.379 1.554 0 40 FDAB O=C(c1nn(-c2ccccc2)cc1O)N1CCN(Cc2cccnc2)CC1 73310014 RSRJSZNETCREGY-UHFFFAOYSA-N 363.421 1.931 0 40 FDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 78652047 JOUSWUSXJJGLQK-SNVBAGLBSA-N 353.362 1.976 0 40 FDAB O=c1[nH]c2ccccc2cc1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 74374115 KMOOPUAZVFYZRI-VQIMIIECSA-N 357.454 1.355 0 40 FDAB O=S(=O)(c1cccc(Cl)c1O)N1CC(CO)(c2ccccc2)C1 632458435 HGFKTDDODOHFMP-UHFFFAOYSA-N 353.827 1.980 0 40 FDAB C[C@H]1CC(=O)c2cnc(NC(=O)CSc3nnc(N)s3)nc2C1 13636031 WVROFUXJEJFQOD-ZCFIWIBFSA-N 350.429 1.406 0 40 FDAB O=C(NCc1ccccc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850937 LQHNCNMPXQNKSC-CQSZACIVSA-N 359.451 1.661 0 40 FDAB Cn1cc(-c2n[nH]cc2C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cn1 614436108 OQNPQYVUAVQGBN-OAHLLOKOSA-N 358.446 1.137 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccc(=N)[nH]c2)C[C@]12C[C@H](c1ccccc1)CO2 643586085 XUZGMBMFGJSCOR-SQGPQFPESA-N 353.422 1.908 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694154 ZSQNTWCVPIITTH-UHFFFAOYSA-N 369.418 1.062 0 40 FDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888843850 JCGXLKQHDDZYSW-UWVGGRQHSA-N 362.377 1.356 0 40 FDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)nn1 1888876401 APGHAXUWIBKSPU-CQSZACIVSA-N 368.503 1.815 0 40 FDAB CCn1cnc2c(N3CCN(c4ncnc5ncccc45)CC3)ncnc21 1888919420 HZIMXGLMKZYQHU-UHFFFAOYSA-N 361.413 1.511 0 40 FDAB Cc1cc(N2CCN(Cc3cnoc3C)CC2)nc(N2CCOCC2)n1 1889096051 POFHMALKRMDCKB-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB O=C(c1c[nH]c(=O)[nH]1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238867558 MCXJHPWVWAMVCY-VIFPVBQESA-N 353.176 1.154 0 40 FDAB O=C(CC1(O)CCC1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 2056206491 XOPAHSBPSVTPIS-KRWDZBQOSA-N 365.499 1.894 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 1614939063 QNIUEHWQORNCCK-OAHLLOKOSA-N 350.484 1.978 0 40 FDAB Cn1c(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cccc1=O 1565549791 CVXGZGKDYVQYHZ-HFTRVMKXSA-N 355.394 1.231 0 40 FDAB COc1cc(CC2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC 1438776 XADYNGPCKXXAOG-UHFFFAOYSA-N 352.412 1.086 0 40 FDAB Cc1ccc(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)cc1 4912543 AIRIQNLUHHSOLS-UHFFFAOYSA-N 351.410 1.660 0 40 FDAB O=C(CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)NCc1ccco1 30554449 ZQQARGMLFKFQAN-KRWDZBQOSA-N 358.394 1.884 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc3cccnc23)s1 40154632 ZTGINACEJFHXCE-UHFFFAOYSA-N 361.448 1.916 0 40 FDAB COC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(C)C 32092174 OQOSATOBJCBPKL-HNNXBMFYSA-N 360.410 1.866 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)/N=c2/sccn2C)c1 102842574 TZTAPHMRUVLKNT-FYWRMAATSA-N 359.860 1.731 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C2CCCC2)CC1 33233862 KBZKATUWFMBBFF-UHFFFAOYSA-N 355.460 1.705 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 22968714 QCHLPNPBAIJKLP-LJQANCHMSA-N 374.460 1.908 0 40 FDAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cnn(C)c2C)cc1 22989023 XEVMLYMKLXBUOR-UHFFFAOYSA-N 357.410 1.837 0 40 FDAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 1266330 UXEDYYWVDVLBNH-IRCOFANPSA-N 355.460 1.943 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 47867527 XIJMTJNPNKJBAC-KRWDZBQOSA-N 372.444 1.999 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269783 YDLUCODCJLECIE-JTNHKYCSSA-N 364.295 1.952 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)c(C)c2)CC1 24515492 VYERIMXJAXIFTQ-OAHLLOKOSA-N 374.514 1.924 0 40 FDAB Cc1ccc(N([C@@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1C 10111440 AVNCSHCNQXDXAU-HNNXBMFYSA-N 355.504 1.526 0 40 FDAB Cn1c(N)c(C(=O)CSc2nc3ccccc3s2)c(=O)n(C)c1=O 3232827 QYULQPHNFYAAQE-UHFFFAOYSA-N 362.436 1.251 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccccc2)CC1 10679672 UVBVUDXHTNOXDA-UHFFFAOYSA-N 363.439 1.875 0 40 FDAB C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 58014716 ZWBUEBDMGRMTSM-ZDUSSCGKSA-N 364.345 1.517 0 40 FDAB Cn1c(SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)nnc1C1CC1 10109573 QHESGLXMGGBFKK-ZDUSSCGKSA-N 374.422 1.267 0 40 FDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc2nncn2c1 58150979 WCLLJGASQCYINP-UHFFFAOYSA-N 351.288 1.995 0 40 FDAB COc1cccc(CC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)c1 58182778 DGAKZYUOWBTJBC-UHFFFAOYSA-N 352.398 1.253 0 40 FDAB C[C@@H]1CCCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 20043518 LGARVGMRNQNLNZ-OAHLLOKOSA-N 366.483 1.721 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(NCC(F)(F)F)s1 58193236 DMEXCVYCBHRZSE-YFKPBYRVSA-N 357.383 1.839 0 40 FDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 28013594 YONJGYGLNGXKAD-AWEZNQCLSA-N 356.264 1.931 0 40 FDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 20636275 LKVIAWSGZJWYPJ-SSDOTTSWSA-N 360.226 1.803 0 40 FDAB CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCNC(=O)CC2)CC1 58878886 PQBVXQJJVMYDFN-UHFFFAOYSA-N 353.463 1.809 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 100897779 JDRNIXRYTRZGKC-VGWMRTNUSA-N 364.829 1.867 0 40 FDAB COc1cc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc(OC)c1 11424465 RQAQKGQSXRYMTP-UHFFFAOYSA-N 357.370 1.176 0 40 FDAB C[C@H]1CCN(C(=O)COC(=O)[C@H]2COCCO2)c2ccccc2S1 46307267 NMXKYKUVJWAGCH-GXTWGEPZSA-N 351.424 1.863 0 40 FDAB Cc1c(CN(C)C(=O)c2c(I)cnn2C)cnn1C 2774935 FIGYPUWPAWQGHF-UHFFFAOYSA-N 373.198 1.339 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1 408999342 RHAFFPNPJRESOH-LBPRGKRZSA-N 367.402 1.411 0 40 FDAB C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc(F)cc1 9183851 HKJMTBYEEVRHIY-LBPRGKRZSA-N 370.384 1.999 0 40 FDAB Cc1csc(-c2ccc(NC(=O)C(=O)NNc3cnccn3)cc2)n1 96013261 VQGLBVAUELNIJF-UHFFFAOYSA-N 354.395 1.990 0 40 FDAB COc1ccc2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc2c1OC 13718351 XEUSRVODGQWMKQ-UHFFFAOYSA-N 357.366 1.824 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC(C)(C)CN(C)C)no1 49946262 LTPCIKJMIZUICY-GFCCVEGCSA-N 356.492 1.747 0 40 FDAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC1CCCC1 6366466 OPSWOJQCYHODIU-UHFFFAOYSA-N 361.467 1.930 0 40 FDAB Cc1sc2nc(CS[C@@H](C)C(=O)O[C@@H](C)C(N)=O)[nH]c(=O)c2c1C 4492005 SQFSWQTTWVITCC-CBAPKCEASA-N 369.468 1.640 0 40 FDAB CCCc1n[nH]c(SCC(=O)N([C@@H](C)CC)[C@@H]2CCS(=O)(=O)C2)n1 14083217 NLTLUIWVZCXWOB-NWDGAFQWSA-N 374.532 1.664 0 40 FDAB O=C(NCc1ccccc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339496 SOGAWSWBXNEHQI-UHFFFAOYSA-N 373.434 1.481 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 8392218 GAUULRNGWFMXHW-JTQLQIEISA-N 358.416 1.513 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 69486163 YFBNIZHWUCMGAI-CHWSQXEVSA-N 357.414 1.342 0 40 FDAB CCOC(=O)/C=C/C(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 8486371 KLFOXLVFJXFDSF-CMDGGOBGSA-N 373.369 1.369 0 40 FDAB NC(=O)c1ccsc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 8945159 HQKJTCQTXGYUCN-UHFFFAOYSA-N 364.427 1.430 0 40 FDAB CSC[C@H](CCO)Nc1ncc(C)c(N[C@H](CCO)CSC)n1 95409761 KQMGKWQYDRVZFE-OLZOCXBDSA-N 360.549 1.837 0 40 FDAB CCCCCCn1cc(S(=O)(=O)N(C)c2ccccc2)c(=O)[nH]c1=O 89953395 UHSAHHRFJFNYPR-UHFFFAOYSA-N 365.455 1.942 0 40 FDAB COc1ccc(OC)c(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 20447873 BZTJKEZMXLPQIF-UHFFFAOYSA-N 350.396 1.532 0 40 FDAB COc1cccc(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 502474173 HVNMHHZNCVRMSA-IFXJQAMLSA-N 357.458 1.566 0 40 FDAB C[C@H](C(=O)N[C@H](C(=O)O)c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 6908540 QWLAEQJIZIKWIV-ABAIWWIYSA-N 367.361 1.193 0 40 FDAB biogenic Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2cccs2)CC1 70461909 UGHPHLYXJRHAFZ-UHFFFAOYSA-N 354.439 1.873 0 40 FDAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NCCN4CCCC4=O)[C@@H]32)Oc2ccccc21 72334263 WWMFRIHLOWXDTR-RIYQWJRFSA-N 368.433 1.785 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218108221 MHMRORRQEJMFBI-ZWKOTPCHSA-N 360.479 1.847 0 40 FDAB CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@@H]2C)n1 225882214 BDPWLSLTNUIXBK-ZDUSSCGKSA-N 364.519 1.998 0 40 FDAB Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1 40043059 GSGJMEZLRDYBJT-GTNSWQLSSA-N 364.471 1.611 0 40 FDAB Cc1nccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 331777278 GNVOYDAHBDQAQC-CQSZACIVSA-N 360.439 1.824 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158803 UPYJNZYRSAERCV-UHFFFAOYSA-N 353.426 1.379 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107412 HHKUUWQRBHQIHT-DOMZBBRYSA-N 359.423 1.029 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 247843324 OUARJRSQPUDRLG-GOSISDBHSA-N 365.437 1.751 0 40 FDAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1 247505512 RGRLRRMQLLQONF-KRWDZBQOSA-N 369.469 1.567 0 40 FDAB Cc1ccccc1CC(=O)N1CC2(C1)OCC[C@H]2CCNS(C)(=O)=O 248145932 HQPKCVOENMYEAD-MRXNPFEDSA-N 366.483 1.094 0 40 FDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCO[C@@H](c2nccs2)C1 246086727 FMQZOPHOUAYYCB-SWLSCSKDSA-N 372.450 1.890 0 40 FDAB CN(C)c1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)cn2cccc12 257253094 JXNOBKGJCFFLHO-ZDUSSCGKSA-N 351.476 1.386 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cncs2)C1 257257764 KQZGQBJNXIIVHE-LLVKDONJSA-N 353.473 1.586 0 40 FDAB CN1CC2(CN(Cc3cccs3)C2)OC[C@H]1C(=O)N1CCCCO1 253613015 OIHBDAJNMXLYFW-HNNXBMFYSA-N 351.472 1.187 0 40 FDAB N[C@H](C(=O)N1CCC(c2ccc3c(n2)CCNC3=O)CC1)c1ccccc1 257282511 OTZUXJVODPSVHZ-IBGZPJMESA-N 364.449 1.774 0 40 FDAB CCOc1nccn2c(CNC(=O)c3cc4cccnc4nc3O)nnc12 253537728 RKHGJVIGMCMQCI-UHFFFAOYSA-N 365.353 1.102 0 40 FDAB Cc1ncccc1C(=O)N[C@@H]1CC[C@H]2Oc3ccccc3N(C)[C@H]2[C@@H]1O 257337226 YRYBPBXNIDZOEP-UTRMSSBJSA-N 353.422 1.909 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2cc(C(F)(F)F)nc3ncnn23)C1 643745084 OYYXDMCGWHGRIS-BDAKNGLRSA-N 353.308 1.833 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)N1CC(Cc3ccccc3Cl)C1)N(C)C2 644381723 ANISMDMDRFIRKY-INIZCTEOSA-N 359.861 1.755 0 40 FDAB Cc1cc(NC(=O)NC(c2nccn2C)c2nccn2C)c(N(C)C)nn1 626606492 GTBJCYGOGYHWNX-UHFFFAOYSA-N 369.433 1.229 0 40 FDAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2cccc3cccnc23)C1 585281532 YVROUMPPKPMBRP-LJQANCHMSA-N 357.410 1.229 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCCn3ccnc3)CCO2)cc1 585278113 QQSTXPXHNWWWSN-FQEVSTJZSA-N 357.454 1.804 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)NCCc2cc(F)ccc2F)C1 585088700 XCGSRASICGCXBY-SFHVURJKSA-N 369.412 1.522 0 40 FDAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CC)n2N)c1 5580836 ISHAFYBOTHNPKJ-UHFFFAOYSA-N 363.443 1.852 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 12084746 IBVKKDWWNIPRHV-GFCCVEGCSA-N 353.469 1.643 0 40 FDAB CC(C)(C)NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086569 WYSSTNPPUNUEFP-FQEVSTJZSA-N 373.453 1.475 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)c(Cl)c1Cl 13646360 BXXDWOYSAGFATQ-UHFFFAOYSA-N 353.227 1.465 0 40 FDAB O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 17072689 KZTOSAGJSYOPQE-RHYQMDGZSA-N 350.396 1.457 0 40 FDAB COC(=O)c1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)NC(=O)[C@@H]23)cc1 19171792 IYCFTSYTVJRMLQ-BBWFWOEESA-N 365.389 1.176 0 40 FDAB COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 19564447 KYHUXGWSVYUMPQ-OAHLLOKOSA-N 352.438 1.690 0 40 FDAB O=C(c1ccccn1)N1CC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 19708024 HSOMZCMVCDFXIC-HNNXBMFYSA-N 366.421 1.579 0 40 FDAB CN(C(=O)CCn1cnnn1)C1CCC2(CC1)CNCc1ccccc1O2 19586718 XCUYBBSGZWAFDZ-UHFFFAOYSA-N 370.457 1.385 0 40 FDAB O=C(c1cc[nH]n1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1888890465 XVBLYKJDYRVTEL-UHFFFAOYSA-N 352.373 1.968 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)c1F 1888906864 WJYRBWNUWXJBDN-GHMZBOCLSA-N 354.393 1.417 0 40 FDAB O=C(NC1CCC1)[C@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225213 ILKHOWMBPVICGM-UGSOOPFHSA-N 362.451 1.443 0 40 FDAB O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565546952 BZJHOTFSEGSXJR-UHFFFAOYSA-N 369.410 1.428 0 40 FDAB COC1(CC(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)CCC1 1565553230 PFDBSTJGWATCFY-UHFFFAOYSA-N 351.472 1.731 0 40 FDAB C[C@@H]1CN(C(=O)c2csnn2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 1565551609 TXRRGZDFEJRDDT-ZLENFMNRSA-N 364.471 1.464 0 40 FDAB Cc1nc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)cs1 1565550652 CZFFOAUTMCVKRB-JKSUJKDBSA-N 352.504 1.319 0 40 FDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1 16848010 PKFFGBDFJMAWIC-UHFFFAOYSA-N 372.816 1.505 0 40 FDAB CN1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)CC1 23006304 XTLCPKOFXNKZBD-UHFFFAOYSA-N 371.466 1.332 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(c2ncc(Cl)cn2)CC1 585501761 KYUBAGTUPWPDDE-UHFFFAOYSA-N 371.832 1.789 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032377 YSEPCNVEUBRNBY-HUUCEWRRSA-N 368.430 1.010 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(CN2C(=O)[C@H]3CC[C@H]2C3)CC1 101455827 YCMAIGIYKZXNBW-ROUUACIJSA-N 370.497 1.828 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32754831 PHOWHZRWXJZQTI-WDEREUQCSA-N 350.337 1.647 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)n1 32776489 RNXIGDNWLQMQOF-CYBMUJFWSA-N 371.470 1.764 0 40 FDAB CN(CCCNC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 32795511 UKTNCNZKTFQMGM-UHFFFAOYSA-N 368.485 1.830 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(C2CCCC2)C1 21589507 DYTSGQKASWRIGP-CQSZACIVSA-N 358.442 1.648 0 40 FDAB O=C(NC1CCCCC1)c1sccc1S(=O)(=O)N1CCOCC1 32845983 LZZUPZOWJLQIAY-UHFFFAOYSA-N 358.485 1.832 0 40 FDAB CCC[C@@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 22538741 OLYJOOMNJSFFPL-GFCCVEGCSA-N 353.492 1.847 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c1 812563 ILVNUWYZHYHZOW-QGZVFWFLSA-N 360.391 1.471 0 40 FDAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1368220 WOVMYGIGZWUEOC-BETUJISGSA-N 360.501 1.889 0 40 FDAB O=C1CCCc2c1cc(C(=O)NCCO)c(=O)n2-c1ccc(Cl)cc1 2469732 GGAGETNAOYEDFD-UHFFFAOYSA-N 360.797 1.732 0 40 FDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O 2509851 NYDLNSAKSFUOLE-NSHDSACASA-N 361.287 1.679 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)cc1OC 12525872 RJFCOEQZUVWDKJ-UHFFFAOYSA-N 366.395 1.369 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccc3O)CC1)C2=O 23642026 JFKDKBVZEFWTJF-QRWLVFNGSA-N 372.469 1.972 0 40 FDAB CCN(CC)C(=O)CCNC(=O)NCC(=O)Nc1ccc(Cl)cc1 54648643 TVJDUJMDHXOIEC-UHFFFAOYSA-N 354.838 1.836 0 40 FDAB O=C(c1ccccc1)N1CCN(c2cncc(N3CC[C@@H](O)C3)n2)CC1 95398708 PCESKBCFGAMFIM-MRXNPFEDSA-N 353.426 1.010 0 40 FDAB O=C(COc1ccccc1C(=O)N1CCOCC1)NCCc1ccccc1 1087800 MMZCADBZXFUNMW-UHFFFAOYSA-N 368.433 1.897 0 40 FDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NCc1cccs1 24245300 USCOTXHMPQGRKD-UHFFFAOYSA-N 350.488 1.588 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 12569340 WWNXSXWKPQTMBW-OAHLLOKOSA-N 367.413 1.618 0 40 FDAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1Cl 1426125 FGNQQNBZZKMZAN-OAHLLOKOSA-N 352.843 1.856 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 12645810 MEACFAGMDIVMDW-CHWSQXEVSA-N 364.409 1.957 0 40 FDAB O=C1CN(Cc2cccnc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738287 ZXBWPQXQNOUILV-DLBZAZTESA-N 357.435 1.096 0 40 FDAB Cc1ccccc1N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 9117684 JAXOWCQRQMTXBU-UHFFFAOYSA-N 363.421 1.449 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(CCN2CCSCC2)cc1 57958279 XNZGTFFNZCSITJ-CYBMUJFWSA-N 350.488 1.534 0 40 FDAB Cc1nc(-c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2)cs1 48236718 PAZKFBMITBIXES-CYBMUJFWSA-N 358.423 1.723 0 40 FDAB COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OCC(N)=O 48287015 XVMKCTMAZVQQON-NXEZZACHSA-N 356.806 1.462 0 40 FDAB NC(=O)NC(=O)CCN1CCO[C@H](c2cccc(Br)c2)C1 58186178 MWMJSNNFTXNDBT-LBPRGKRZSA-N 356.220 1.407 0 40 FDAB Cc1noc(C)c1NC(=O)NCCS(=O)(=O)N1CCc2ccccc21 58392901 OTSGTQQKRQXBEL-UHFFFAOYSA-N 364.427 1.805 0 40 FDAB Cc1nn([C@H](C)C(=O)N[C@@H](C)CN2CCOCC2)cc1Br 22276777 CISMAEPXBRHKCE-CMPLNLGQSA-N 359.268 1.352 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 102201845 MFKPYASVZNUPKO-YHUYYLMFSA-N 358.394 1.673 0 40 FDAB O=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCNC1=O 22926393 RGVMAFSTMOTGQX-UHFFFAOYSA-N 370.375 1.375 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cnn(-c2ccccc2)n1 23076337 NDHZTLVWHJBCFS-UHFFFAOYSA-N 362.345 1.720 0 40 FDAB CN(C)CCCNC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296697 MRMNYYQTTHLSJT-UHFFFAOYSA-N 357.458 1.304 0 40 FDAB biogenic O=C(Cn1c(=O)cnc2ccccc21)Nc1ccnn1Cc1ccccn1 9217140 WFFPSEHPHUWPBM-UHFFFAOYSA-N 360.377 1.675 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccncc1 13689186 XYJAKZDQMBKYOV-UHFFFAOYSA-N 350.378 1.433 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCCc3nc4ccccc4s3)cnc21 39982468 PCMQJZWCFATYOH-UHFFFAOYSA-N 368.422 1.099 0 40 FDAB COc1ccc(CCNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 14199875 KTXIHWWXIWIZBO-BETUJISGSA-N 358.460 1.190 0 40 FDAB FC(F)(F)c1ccc(CN2CCN(c3ccc4nnnn4n3)CC2)cc1 14161898 MJVJEFFZAJWQCK-UHFFFAOYSA-N 363.347 1.860 0 40 FDAB CC[C@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 6586493 WDYCWXQVXPRBAZ-LBPRGKRZSA-N 356.492 1.589 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCC[C@@H](C)C1 6881941 NAUKOOTZHHLVHT-CYBMUJFWSA-N 353.488 1.916 0 40 FDAB CC(C)(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 9422673 ZBZIDLOPMAINLO-UHFFFAOYSA-N 354.410 1.865 0 40 FDAB COc1ccc(CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OC 24732894 MMPFLMMAFHABSL-ACJLOTCBSA-N 364.467 1.817 0 40 FDAB C[C@H](c1nnc(-c2cccs2)o1)n1cnc2c1c(=O)n(C)c(=O)n2C 8719211 DOZRUWLUYMVACW-MRVPVSSYSA-N 358.383 1.155 0 40 FDAB Cc1nn2cnnc2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 9689390 VLXBMXFRMZDWOY-UHFFFAOYSA-N 365.441 1.418 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1cccs1 84098828 CQAUHGKVLHBETB-VIFPVBQESA-N 366.420 1.428 0 40 FDAB CN(C)C1(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)CCOCC1 73323324 QZEBUXKXUSFGMA-UHFFFAOYSA-N 362.470 1.962 0 40 FDAB Cc1ncc(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)s1 98119360 PQGJFUDXUUXRKC-LBPRGKRZSA-N 360.505 1.455 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)c3cccc4c5c([nH]c34)CCCC5)C2)nn1 95997882 JREMGWFEYMEZER-UHFFFAOYSA-N 364.409 1.434 0 40 FDAB CCn1c(=O)n(CCC(=O)N[C@@H]2CCN(C(=O)OC)C2)c2ccccc21 76041806 XRWCAVVHWWRYDI-CYBMUJFWSA-N 360.414 1.170 0 40 FDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)c1 306132296 LEIAVRMRMFPVJY-OAHLLOKOSA-N 356.426 1.653 0 40 FDAB O=C(NCC[C@@H]1CN(Cc2nccs2)Cc2ccnn21)c1cnccn1 306142387 WYHHISHIYMYVAC-CYBMUJFWSA-N 369.454 1.507 0 40 FDAB Oc1nc(SCCN2CCOCC2)nc2c(-c3ccccc3)cnn12 15083346 DBZDUMMNWZJXNZ-UHFFFAOYSA-N 357.439 1.921 0 40 FDAB biogenic CC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1 35312312 FKDHLIXWZMBRON-UHFFFAOYSA-N 357.395 1.866 0 40 FDAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)COC)C3)n2)s1 72382532 YIFRQNMUJMCOQM-NSHDSACASA-N 362.459 1.905 0 40 FDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c[nH]c(C(N)=O)c1 40118660 WOFKWTUDZJTZCQ-UHFFFAOYSA-N 368.315 1.843 0 40 FDAB O=C(N[C@@H]1COc2ccccc2C1)N[C@H]1CCCN(c2ncccn2)C1 47094191 GAZOEHXXUZCWQN-HOTGVXAUSA-N 353.426 1.748 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96345444 INHYIDYAYLIIHZ-CYBMUJFWSA-N 366.425 1.583 0 40 FDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(Cc3ccccn3)C2)C1 96229332 MPVLIZARASRZFZ-KRWDZBQOSA-N 353.488 1.346 0 40 FDAB COc1ccc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cn1 95474779 MHDNCTSZKCDONP-UHFFFAOYSA-N 353.386 1.612 0 40 FDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21)c1cnccn1 96056225 IKEQNCVYPPTYAX-VDZJLULYSA-N 370.428 1.883 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccncc1)C2 96050268 OHNYGMPSUXUXOH-HXUWFJFHSA-N 368.412 1.784 0 40 FDAB O=C(c1cccs1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96049241 HNLOAOASFJLPLB-UHFFFAOYSA-N 358.423 1.576 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc(C)c(C)c3)C2)CN1CC1CC1 247965802 SDNITCLIRUCYQB-SFHVURJKSA-N 371.481 1.355 0 40 FDAB O=C(Cc1ccsc1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247841107 FMYQCYDXXGCHOW-INIZCTEOSA-N 350.484 1.630 0 40 FDAB O=C(CN1CCCCCC1=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257230153 GBBKRVZICPANAV-GPMSIDNRSA-N 351.491 1.273 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cnccn3)CC2)ncn1 257200064 ABWJDSWLUQHOEX-AWEZNQCLSA-N 368.441 1.453 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)c3cnn(C)c3)ccnc12 257310263 UEKKLWCFIPTBMI-CQSZACIVSA-N 367.413 1.190 0 40 FDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCc2ccncc2)C1 253489994 HBQKDLXGHJAFPX-GOSISDBHSA-N 363.483 1.719 0 40 FDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(F)cnc1O 621973758 WZLAGFMEHOXEQM-INIZCTEOSA-N 359.401 1.947 0 40 FDAB O=C(CN1CCOCC1)Nc1ccc(NCc2cnc3ccnn3c2)cc1 648014879 AYQPTCAMZWSFPV-UHFFFAOYSA-N 366.425 1.612 0 40 FDAB C[C@H](NC(=O)c1ccc2c(n1)OCCO2)[C@H](Cc1ccccc1)C(=O)O 656253665 ZFZDQQAKENFAME-JSGCOSHPSA-N 356.378 1.915 0 40 FDAB CC[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)N1CCC(C(=O)O)CC1 656718834 RGWBSTPNDMPJDN-HNNXBMFYSA-N 358.435 1.778 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)cc1 659129247 JHWNKCUHCYJXQP-SJORKVTESA-N 368.389 1.870 0 40 FDAB Cn1cc(CN2CCN(C[C@@H]3CCCO[C@H]3c3nccn3C)CC2)cn1 667589292 SNBDWKTZSAPZPJ-ZWKOTPCHSA-N 358.490 1.439 0 40 FDAB Cc1nc2cncc(N3CCN(C(=O)c4cc[nH]c4C(C)C)CC3)n2n1 671809752 IKHSXWLNACRLSN-UHFFFAOYSA-N 353.430 1.847 0 40 FDAB Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCCC1(F)F 673162621 LDVAKULPTNJEBW-CMPLNLGQSA-N 356.373 1.557 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCc3cnn(C)c3)CCO2)cc1 585278344 SGEGHQTXASNOOX-HXUWFJFHSA-N 357.454 1.494 0 40 FDAB Cn1nccc1C(=O)N1CC[C@H]2O[C@H](C(=O)NCc3cccs3)CC[C@H]21 585108639 PJDMIUDQVHYRIR-BMFZPTHFSA-N 374.466 1.560 0 40 FDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(S(=O)(=O)c1cccnc1)CC2 585096163 ADHOLQRKKVXZEK-GFCCVEGCSA-N 363.443 1.182 0 40 FDAB CN(CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2)S(C)(=O)=O 682108658 DWNDCIKUMINRFL-UHFFFAOYSA-N 356.469 1.659 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCN(CC(F)(F)F)C1 61582257 CSIDNYRCALKHDU-GFCCVEGCSA-N 354.336 1.093 0 40 FDAB CN1CCC(N(C)C(=O)c2cc3c(=O)n4ccccc4nc3n2C)CC1 11691365 UTMQYUWQSRCNFX-UHFFFAOYSA-N 353.426 1.352 0 40 FDAB O=C(c1cscn1)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19292460 VICKPGIQKNCSKH-XHDPSFHLSA-N 357.439 1.672 0 40 FDAB CCN1CCN([C@@H](c2ccc(C)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 19527990 TYKWMTXENHUXOC-OALUTQOASA-N 370.501 1.887 0 40 FDAB COCCn1nnnc1[C@H](c1ccccc1)N1CCN(C2CCCC2)CC1 19594048 NJDMGFHLBHKOCN-IBGZPJMESA-N 370.501 1.969 0 40 FDAB COc1ccc(C(=O)N2CC[C@H](C(=O)NCCc3ccccc3)C2)cn1 19747967 DHFICHLSRSFXBB-KRWDZBQOSA-N 353.422 1.911 0 40 FDAB CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930247 HRGMVGOWILAAQL-UHFFFAOYSA-N 360.863 1.982 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)N(C)C1=S 8276416 JXLKQYYDPCVSRK-WQLSENKSSA-N 364.423 1.585 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCCc2cnn(C)c2)c(Cl)c1 101572679 YJTUKUFZFHLTOU-UHFFFAOYSA-N 357.819 1.381 0 40 FDAB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 16937718 AANCODHWXUEZLW-OITNDJBGSA-N 367.404 1.824 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(C)cc3ccccc32)CCN1C(C)=O 1848353775 WSSOCROCYNZQNY-SFHVURJKSA-N 370.453 1.145 0 40 FDAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CCS(=O)(=O)C1 4484926 CPPSOFAHHRNOEO-SECBINFHSA-N 359.860 1.612 0 40 FDAB CC(C)n1cnnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 5417258 PPJPDGYJMKRJFI-UHFFFAOYSA-N 366.447 1.237 0 40 FDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1CCOc1ccc(F)cc1 6126522 HRSNCXPPAPMJHH-UHFFFAOYSA-N 366.414 1.851 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)C1CC1 1889099092 NEFZNKAWTTZSRZ-VIFPVBQESA-N 350.366 1.546 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1 1889149041 ISIWORWMCWLJDC-UHFFFAOYSA-N 365.445 1.150 0 40 FDAB COc1ccc2nccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2c1 1889191945 FFHQTKZALZKQNH-SFHVURJKSA-N 369.421 1.707 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565545134 VZFUHKOMSOPPFT-VQFNDLOPSA-N 355.438 1.458 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565547373 ORJABQKNALVKAF-LPHOPBHVSA-N 358.442 1.478 0 40 FDAB CCOC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C 2724044 LCOQAXBAJYJHAB-UHFFFAOYSA-N 364.427 1.409 0 40 FDAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 4249325 HUFXOSPZPQQMPD-ZDUSSCGKSA-N 353.426 1.133 0 40 FDAB O=C(CCc1ccccc1F)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 2055713374 HCXLZVVSWPIPCP-GOEBONIOSA-N 359.401 1.594 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 2055772884 QRYXYIGVFWVDPK-QGZVFWFLSA-N 362.455 1.118 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cn1 2055782249 UKLWYUQSLFPPFX-YLJYHZDGSA-N 357.454 1.888 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](N2C(=O)COC2=O)C1 225702945 OHVMJNIGONRXBV-LBPRGKRZSA-N 356.300 1.828 0 40 FDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CSCCC(=O)N3)nc21 77101336 RMKHIFVTDWVOSB-BDAKNGLRSA-N 369.468 1.296 0 40 FDAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)c2ccno2)C1 2332241498 ANPYLUCHBLLGEA-IACUBPJLSA-N 368.397 1.292 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 248271480 ZRSUSFADMZKWGR-QDVMVFPASA-N 355.438 1.842 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 40153543 JMEHAEQCHMTFLV-OAHLLOKOSA-N 364.471 1.564 0 40 FDAB CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)NCC(=O)N1CCCC1 50783765 INXQBAHVELOUDP-UHFFFAOYSA-N 366.849 1.192 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)n1 101573274 UZLSUCDFCLAIHD-UHFFFAOYSA-N 354.476 1.517 0 40 FDAB CC(=O)N1CCC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 32748115 RRNTZRFARAMANH-UHFFFAOYSA-N 370.453 1.530 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)c1ccc(Br)o1 102306948 HKXUFIBIJXJSNP-RJVLYZLMSA-N 365.183 1.884 0 40 FDAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)c1cn(C)c2ccccc12 102572479 LDALGJBARWHLPH-BLLLJJGKSA-N 373.434 1.382 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccccc1F 22934738 KGMATAYUWQGHEW-UHFFFAOYSA-N 362.449 1.394 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccccn1 23156704 VNSVEGSZNMKNCZ-LJQANCHMSA-N 350.378 1.091 0 40 FDAB C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1ccc2c(c1)OCCO2 23173332 AXIHFPCJQBCADH-GFCCVEGCSA-N 372.381 1.254 0 40 FDAB CC(=O)Nc1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1F 23191368 NYWUWTOPVVTPEE-UHFFFAOYSA-N 354.345 1.941 0 40 FDAB C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520720 YPGIYJFWMNZIEB-SNVBAGLBSA-N 366.370 1.657 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1C 23600884 ONDIDYGWRYWUDI-UHFFFAOYSA-N 365.430 1.619 0 40 FDAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1ccccc1 4131632 AYUOOUUEVWCLKN-JAAXMTQOSA-N 350.367 1.989 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 4475897 BOZJDNBWUWXIIT-QGZVFWFLSA-N 354.391 1.723 0 40 FDAB C[C@H](OC(=O)C1CCC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23866667 NTFWVILQBWCRBV-QMMMGPOBSA-N 358.316 1.890 0 40 FDAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(C)cc1 4275854 VVSILPIHCMHNLR-WOYTXXSLSA-N 351.399 1.116 0 40 FDAB NC(=O)C1=C(S)NC(N)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 6424066 OXOXPZZRZBZIDM-ZDUSSCGKSA-N 366.446 1.809 0 40 FDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)o1 7541209 SODDPVUUYKIFBU-JTQLQIEISA-N 352.368 1.419 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2Cl)cc1 8158218 ZROWLQOKIHCWQN-UHFFFAOYSA-N 368.842 1.943 0 40 FDAB Cc1sc(=O)n(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1C 55160417 PPKLROXHVSLSPG-UHFFFAOYSA-N 373.478 1.948 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)CC1 24973251 JAJZWHFEWNPCCF-ZDUSSCGKSA-N 353.440 1.894 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCOc1ccc2c(c1)CCC2 56008775 WWEKWRKQQDCBJJ-ROUUACIJSA-N 370.449 1.846 0 40 FDAB C[C@H](CNC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 35325510 JSIUUVALJFDELQ-DNVCBOLYSA-N 351.450 1.819 0 40 FDAB Cc1ncc(CN2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)s1 95401453 AYEKRSVKVSPBGI-KRWDZBQOSA-N 374.514 1.498 0 40 FDAB CCOC(=O)CN(CCOC)CC(=O)N1CCC[C@H]1c1cccs1 48290943 BEZKCFDODGEAHY-AWEZNQCLSA-N 354.472 1.923 0 40 FDAB COc1ccccc1[C@H](CNC(=O)CCN1C(=O)CCC1=O)N1CCCC1 27571713 YETOVADKVXHZNH-INIZCTEOSA-N 373.453 1.487 0 40 FDAB Cc1oc(C(=O)NCC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 58217206 BOFQQFITCDPTHP-ZDUSSCGKSA-N 356.444 1.671 0 40 FDAB Cc1c(NC(=O)CCNC(=O)c2ccsc2)cccc1-n1cnnn1 12779495 XSPSSGYEJQFKOG-UHFFFAOYSA-N 356.411 1.791 0 40 FDAB CC[C@H](CO)Nc1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 48314308 LJHVVNGWQYUMNY-LLVKDONJSA-N 351.790 1.855 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1nc(-c2ccccc2)no1 23491567 MRUHJJJWMBZCJG-ZIAGYGMSSA-N 369.377 1.955 0 40 FDAB CC[C@@H](C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12825469 DOIDSELSXIRWSO-CQSZACIVSA-N 354.472 1.511 0 40 FDAB C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4CCCO4)c(=O)c23)C1 11990309 VOHRCAOMJGAFJR-NWDGAFQWSA-N 361.467 1.878 0 40 FDAB O=C1CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11903744 BODJKGDROMZEQI-MSOLQXFVSA-N 356.447 1.701 0 40 FDAB COC(=O)Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12874352 OIIGUBSUPGOWEJ-UHFFFAOYSA-N 359.382 1.205 0 40 FDAB Cn1nc(C(=O)NCCc2ccc3c(c2)OCCO3)c2ccccc2c1=O 3532797 CMEHMBRFAPCWIT-UHFFFAOYSA-N 365.389 1.677 0 40 FDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)C1(c3ccccc3)CCC1)CCC2 96002887 ZRELSOJOYJHTTQ-INIZCTEOSA-N 352.438 1.984 0 40 FDAB O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2cccs2)C1 6083927 UOKYCZMFRCDHKU-NEPJUHHUSA-N 365.498 1.105 0 40 FDAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6639563 FAOJBAYQJZHKAT-NSHDSACASA-N 354.428 1.607 0 40 FDAB CN(C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 4728178 XBROVHBXPGTLAC-UHFFFAOYSA-N 371.422 1.407 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2ccc(Cl)cc2)c1C(=O)OC 6729226 HNVUXKSBDOIQGQ-UHFFFAOYSA-N 352.734 1.143 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccs2)CC1 7777964 FUFRLLTXQRVJJZ-UHFFFAOYSA-N 374.418 1.840 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 7785914 FIGRZQLCESVYFO-UHFFFAOYSA-N 365.499 1.232 0 40 FDAB CCCc1cc(N2CCN[C@H](C(=O)NCc3ccccn3)C2)nc(C)n1 72145315 DLQJHPYEVHBTLE-KRWDZBQOSA-N 354.458 1.227 0 40 FDAB COC(=O)COc1cccc(CNC(=O)Nc2cc3ccccn3n2)c1 554416833 ULDCXHPCIPGZOH-UHFFFAOYSA-N 354.366 2.208 0 40 FDAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 72360883 SJYAUINCSJITPN-CQSZACIVSA-N 355.446 1.600 0 40 FDAB CC(C)(C)NC(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12 72348111 BMYCMKKEZCZZMX-UHFFFAOYSA-N 374.832 1.182 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 75164211 MPHRNWQZWVSTTH-KRWDZBQOSA-N 356.426 1.044 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 72334914 KTYBZLFHFRLGHC-CQSZACIVSA-N 370.409 1.289 0 40 FDAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(CC)Nc3nnnn32)cc1OC 45896034 KVWQOWOLOAUZRT-OAHLLOKOSA-N 359.386 1.932 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 75156989 UORFIECIVBJANV-UHFFFAOYSA-N 367.427 1.715 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(C)=O)c2)s1 224684760 HOJZVGUEQSAAEY-UHFFFAOYSA-N 354.413 1.890 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(Cn2ccnc2)CC1 77099449 WGMIKDCSXVGNKQ-UHFFFAOYSA-N 369.468 1.832 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225880995 UCOPEAHMACJVHC-QGZVFWFLSA-N 362.451 1.944 0 40 FDAB O=C(c1ccccc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224328548 XTGVGVVCOFHRCC-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](F)C2)cc1Br 573333312 BDTBKKBAVRNZRC-SECBINFHSA-N 365.224 1.671 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 229937291 KNVMWZZOFDJBPK-UHQDVWGKSA-N 364.829 1.927 0 40 FDAB COc1ccc([C@H](OC)[C@@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 576700617 NWTZOTDTFUVKJT-KCPJHIHWSA-N 372.443 1.155 0 40 FDAB CCCCS(=O)(=O)Nc1ccc2c(c1)O[C@@](C)(C(=O)OCC)C(=O)N2 96183241 ITVMEUVWHVOSOU-MRXNPFEDSA-N 370.427 1.881 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 96108513 DVQNURXSLDXKKJ-QAPCUYQASA-N 358.467 1.725 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96042955 KBRGCXUNSWWPBW-GBESFXJTSA-N 359.470 1.604 0 40 FDAB CCOc1cc(CO)cc(Br)c1OCC(=O)N1CCOCC1 95095223 GBKCOROVDQFWAU-UHFFFAOYSA-N 374.231 1.578 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3ccncc3)C2)OC1 248113010 HWSAGCPPSYGLAK-KRWDZBQOSA-N 354.454 1.831 0 40 FDAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248061725 ZBWNBYKUNFBPOB-HCKSERAJSA-N 357.454 1.619 0 40 FDAB Cc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)cc2[nH]1 257340307 ZFKXAWZXBYSDRY-KBAYOESNSA-N 358.442 1.215 0 40 FDAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 257255497 KHSOFDKPZNMVNY-ZDUSSCGKSA-N 353.382 1.941 0 40 FDAB COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2cc(O)nc(C)n2)C1 257274477 NLEOLQONPMAKGX-QGZVFWFLSA-N 357.410 1.950 0 40 FDAB CN1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(c1ncnc3[nH]cnc13)CC2 1775992641 UEURIPPPUDYAMC-KSMMKXTCSA-N 369.473 1.455 0 40 FDAB COc1cc(N2CCN(c3ncc(Br)cn3)CC2=O)ccn1 1776007986 QKAOTKDBGYYJTE-UHFFFAOYSA-N 364.203 1.496 0 40 FDAB O=C(N[C@H]1CCO[C@@H]1C1CCNCC1)N1CCOc2cc(F)ccc2C1 1615177833 RBHCWPPAUBAJFK-FUHWJXTLSA-N 363.433 1.887 0 40 FDAB O=C(NCc1cccc2c1CCCN2)[C@H]1C[C@H](O)CN1c1ccncn1 638237725 VNAIIKIIELXIIT-WMLDXEAASA-N 353.426 1.091 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ncc1Br 643719185 UYGPFQPSRQDEKN-OAHLLOKOSA-N 356.264 1.962 0 40 FDAB CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)CN1CCCC[C@@H](O)C1=O 644399477 XAKYWBDOHIBLDO-MRXNPFEDSA-N 356.426 1.409 0 40 FDAB CC[C@H](O)CC(=O)N1CCN(C(=O)C[C@H](O)CC)CC12CCCCC2 649029889 JFVXNBPUXKIPTR-CVEARBPZSA-N 354.491 1.682 0 40 FDAB O=S(=O)(NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2)C1CC1 585102800 IEFIVFNRBLSVOH-OAHLLOKOSA-N 368.474 1.889 0 40 FDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1c[nH]c2ccc(OC)cc12 585279805 YZDRCCXKAATFHQ-IBGZPJMESA-N 359.426 1.934 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@H]21 585109425 OOSGEYOBTPUHLA-AOIWGVFYSA-N 354.406 1.754 0 40 FDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)NCc1cc(C3CC3)ncn1)CS2 585361112 NKLOBWIDNPKCBW-AWEZNQCLSA-N 371.466 1.881 0 40 FDAB C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(Br)c1 96012570 GTMYWAPLRNAOSI-VVVCHXIZSA-N 354.291 1.837 0 40 FDAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396950 OVKAYLGUVJYLKZ-GOEBONIOSA-N 352.438 1.418 0 40 FDAB biogenic,in-vitro OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]21 5459354 FMZUHGYZWYNSOA-UEDNIHKISA-N 358.390 1.937 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)cc1 12145679 KRMQCYWPFFQHTO-DYVFJYSZSA-N 368.437 1.853 0 40 FDAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)nn1C 12443092 BPEAJELTZDXBCW-UHFFFAOYSA-N 361.383 1.434 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3CC(=O)N3CCC3)ncc2C1 19018251 RRXUNUAQSAAWSS-QGZVFWFLSA-N 357.458 1.141 0 40 FDAB Cc1nc2c(c(NCc3ccc(C(=O)NCC(N)=O)cc3)n1)CCCC2 543864673 MBGFPCGNYOSWDP-UHFFFAOYSA-N 353.426 1.491 0 40 FDAB Cc1nn(C)c2sc(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)cc12 653848940 NBQVTCNYOPGYMT-LLVKDONJSA-N 355.485 1.983 0 40 FDAB Cc1cc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)nn1C 1888863911 DIOYYIFKJMCALL-UHFFFAOYSA-N 360.393 1.203 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@H]4C3)n1)CCC2 1888866250 IDXRAMPZMAANRG-GASCZTMLSA-N 352.442 1.216 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 16400180 PMTYQNORHODXIW-SFHVURJKSA-N 355.350 1.888 0 40 FDAB O=C(NCc1ccco1)C(=O)NCC1CCN([C@H]2CCSC2)CC1 253406949 VIQIUSZYZLCJQD-AWEZNQCLSA-N 351.472 1.230 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cc(F)ncc3F)CC[C@@H]21 1565549260 OSLQZGJCKOCDRQ-JKSUJKDBSA-N 368.428 1.227 0 40 FDAB O=C(C1CC(O)C1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 1565546259 WYCZZORRGVMYEH-UHFFFAOYSA-N 359.470 1.294 0 40 FDAB COC(=O)[C@H]1[C@@H](c2cccc(OC)c2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 4039333 JHKZXOLSVSSHII-AFIMGQEJSA-N 350.367 1.081 0 40 FDAB O=C(COc1ccc(F)cc1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127858 ZEBWTBIDKVQLOX-SFHVURJKSA-N 372.396 1.921 0 40 FDAB O=C1CN(S(=O)(=O)Cc2ccccc2Cl)CCN1c1cccnc1 585150499 YHOHAQVMXFPVET-UHFFFAOYSA-N 365.842 1.914 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccnc(-n2cccn2)c1 40081238 ZGJPHYVKFGINGW-HUUCEWRRSA-N 367.409 1.059 0 40 FDAB Cn1ncc2c(N3CCN(CCOc4ccccc4F)CC3)ncnc21 40040202 DQZSLJOCJVOUFX-UHFFFAOYSA-N 356.405 1.703 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc2c(c1)OCCO2 40162216 LSVJJNYTDGOMIW-WLRWDXFRSA-N 373.409 1.356 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 40149005 XYYZDTIXBBNKJP-OLZOCXBDSA-N 371.430 1.790 0 40 FDAB O=C(NCCCn1cncn1)C(=O)Nc1ccccc1OC(F)(F)F 41416689 BSHWBNGMAXKAAQ-UHFFFAOYSA-N 357.292 1.322 0 40 FDAB NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1 899906 DJUGGIRNNLWQDX-CYBMUJFWSA-N 365.434 1.786 0 40 FDAB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2nnnn2n1 8939903 NNQIBQOISYIFHE-UHFFFAOYSA-N 352.185 1.901 0 40 FDAB OCCN(CCN1CCOCC1)Cc1ccc(OCC(F)(F)F)cc1 72313459 IPLSJUBWBQZUIS-UHFFFAOYSA-N 362.392 1.754 0 40 FDAB COc1ccccc1COC[C@H](O)CN1CCN(C[C@@H]2CCCO2)CC1 57941820 ANUUSDAMJBBMOF-MOPGFXCFSA-N 364.486 1.369 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 2093662 YXHSTCGVHVKQTP-UHFFFAOYSA-N 362.879 1.957 0 40 FDAB C[C@@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 58165902 LAYXRQHWBRSNNB-HNNXBMFYSA-N 372.469 1.313 0 40 FDAB COc1ccccc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1nccn1C 48290712 GFXUTWPMRYYLCP-MRXNPFEDSA-N 353.382 1.042 0 40 FDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 48275463 AUBYFHLJNQQBRI-CJNGLKHVSA-N 374.441 1.937 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H](CN2CCCCC2)C1 58229074 WJFLSBCQYIMVNK-MRXNPFEDSA-N 369.469 1.516 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1 2136900 DYWBETBJXGDXAY-KRWDZBQOSA-N 351.362 1.729 0 40 FDAB biogenic Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnn(-c3ccc(O)nn3)c2C)n1 58314628 FMZFHORKEMWQRW-LLVKDONJSA-N 369.429 1.556 0 40 FDAB NC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1Cl 28258548 FCZSSCMVUQTJIJ-UHFFFAOYSA-N 354.771 1.938 0 40 FDAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)NC(=O)NC1CCCCC1 23223794 LXWKYQQQPJEFFA-NSHDSACASA-N 361.398 1.489 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)c1 29162914 IXZJJQCANBSMTD-UHFFFAOYSA-N 358.383 1.491 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccc3c(c2)OCO3)=NN1c1ccccc1 29107003 IDBLKPNWOMIGTB-HNNXBMFYSA-N 366.377 1.152 0 40 FDAB Cc1csc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 29887184 DSHRIHQEUKWKID-JTQLQIEISA-N 364.452 1.195 0 40 FDAB CC(C)n1nc(C(=O)NCCCN2CCCC2=O)c2ccccc2c1=O 12859017 MNFGISXGLQVOES-UHFFFAOYSA-N 356.426 1.720 0 40 FDAB CCC(CC)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 2653595 NAGYEZOMQRTCOM-UHFFFAOYSA-N 370.471 1.635 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](c1ccco1)N1CCCC1 12891170 XVHZNTXRYFQZAL-QGZVFWFLSA-N 366.421 1.943 0 40 FDAB O=C(COC(=O)c1ccc2ccccc2c1O)N[C@@H]1CCS(=O)(=O)C1 3438862 WRYPUZIONXEDAQ-GFCCVEGCSA-N 363.391 1.006 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccccc1 12905910 HEZODVCGLINIKH-UHFFFAOYSA-N 350.378 1.312 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1c[nH]c3ccccc13)C2 306129041 HSFPHHJKARYUCF-ZDUSSCGKSA-N 362.451 1.834 0 40 FDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 5008451 ZIOJMAVOOZXZQA-LBPRGKRZSA-N 356.444 1.241 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ncc3c2C[C@H](O)CC3)c1 95941883 AEXLMHSAYQALFK-TZMCWYRMSA-N 359.426 1.627 0 40 FDAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCOCC2)c(OC)c1OC 39585144 MOXZGLXPGHYEHQ-LLVKDONJSA-N 353.371 1.117 0 40 FDAB COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2O)CC1 111867789 IAIGTCJCOGMBMR-MRXNPFEDSA-N 362.474 1.335 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)NCc2ccccc2)cc1 4499981 MAEYARQUTWFPEC-UHFFFAOYSA-N 371.422 1.844 0 40 FDAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(-n2cnnn2)cc1 14138189 JPUTVTGDRYLWBZ-UHFFFAOYSA-N 369.406 1.466 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nccs3)CC2)c1 14158701 XRLKZEVJUUULIY-UHFFFAOYSA-N 369.468 1.671 0 40 FDAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)nnn1-c1ccc2ncccc2c1 66760219 QROZFASKLWEARW-INIZCTEOSA-N 364.409 1.522 0 40 FDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1I 96305688 FAHAFQUKBBUSKL-UHFFFAOYSA-N 367.208 1.621 0 40 FDAB COCCn1c(C)cc(C(=O)COC(=O)Cn2c(C)csc2=O)c1C 7985639 WFFMGEQOWPFKDL-UHFFFAOYSA-N 366.439 1.709 0 40 FDAB C[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 16446933 XDKCJPRXOVTYOO-QWHCGFSZSA-N 363.435 1.994 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H]1COc3ccccc3O1)C2=O 8326131 SJAWSBSKAOEOEJ-NDBLMLTRSA-N 359.382 1.358 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1ccc(Cl)cc1 8422677 AEMGRFRQVWIDHG-ZDUSSCGKSA-N 372.874 1.871 0 40 FDAB Cc1c(C(=O)Nc2ccc(Cl)nc2C(N)=O)cnn1-c1ccccn1 89545049 SVYNXZWCYXHUML-UHFFFAOYSA-N 356.773 1.975 0 40 FDAB O=C1O[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 89834903 RJVBGELSFKLPQR-ZWKOTPCHSA-N 364.401 1.685 0 40 FDAB c1cnc(-c2cnc(NCCCN3CCOCC3)nc2[C@H]2CCCO2)cn1 72324896 LFMBSYXGNZCPML-QGZVFWFLSA-N 370.457 1.919 0 40 FDAB O=S(=O)(Nc1nnc[nH]1)c1ccc(I)cc1 61844916 RLLMJUGZDKGZFO-UHFFFAOYSA-N 350.141 1.210 0 40 FDAB CC1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)CC1 38773065 OPHQRSBMGLJBOP-UHFFFAOYSA-N 357.451 1.697 0 40 FDAB CN1CC[C@@H](N2CCC(NC(=O)Cc3cccc(Cl)c3F)CC2)C1=O 566137362 LPLPWFXCAXLDBB-OAHLLOKOSA-N 367.852 1.833 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2NC1=O 32772959 LKSJVFZQZTURDC-QMMMGPOBSA-N 358.379 1.321 0 40 FDAB COc1cccc(O[C@@H](C)CNS(=O)(=O)N2CCC(C(=O)O)CC2)c1 568626349 SDTQVSGVSXQGHJ-LBPRGKRZSA-N 372.443 1.094 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccc2ncsc2c1 225805128 TUGMGMGHSZVUAW-UHFFFAOYSA-N 372.431 1.791 0 40 FDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NCCCn1ccnc1 223412975 UYZIMRXOYZSYDK-INIZCTEOSA-N 356.426 1.589 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cccnc1 75161900 ISECYTPSOXESSS-UHFFFAOYSA-N 361.409 1.846 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96048680 GLEKWZCCEAQPBU-IBGZPJMESA-N 351.410 1.527 0 40 FDAB O=C(COCc1nc(-c2ccncc2)no1)N[C@@H](CO)Cc1ccccc1 96182025 JEKPHRDKWGMAEG-MRXNPFEDSA-N 368.393 1.368 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 145580804 YLDLTKCLLBIGAG-DSIZOQBWSA-N 368.389 1.284 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(CCc3ccccc3)C2)O1 96218598 JDLABVXFQJELSI-ZWKOTPCHSA-N 352.500 1.792 0 40 FDAB CCN1C[C@@H]2CN(S(=O)(=O)c3cccs3)CCC[C@]2(C(=O)O)C1 96064211 KYTAYBDJXSSHPK-DOMZBBRYSA-N 358.485 1.555 0 40 FDAB Cc1ccc(CN2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)cc1 96216327 WXPICYZFCGSXTG-QGZVFWFLSA-N 352.500 1.915 0 40 FDAB CN1C[C@H]2C3(CCN(Cc4cnn(C)c4)CC3)CC[C@@]2(C(=O)N(C)C)C1 97952833 OAUFTIGUYBJIMP-FXAWDEMLSA-N 359.518 1.432 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96042863 ZJFJPSSOKBTPBR-USXIJHARSA-N 353.426 1.214 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230099 LPXSMCWEPXOGPJ-UYAYXHRUSA-N 364.829 1.783 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)n1 257266316 MCLOIPXJFVMMEG-LRDDRELGSA-N 360.389 1.344 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3ccncc3)ccnc12 257275269 NOQJTMPEAICUAO-HNNXBMFYSA-N 364.409 1.851 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1cccc(CNC(C)=O)n1 257309335 UANUPMYYXJFMIA-QGZVFWFLSA-N 355.442 1.840 0 40 FDAB Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc4c(c3)CCO4)C2=O)n(C)n1 266334827 BJEYTOPHWZUDNG-OAHLLOKOSA-N 354.410 1.128 0 40 FDAB Cc1cc(CNC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)n[nH]1 606516175 BGEUJDQZTMPOLX-UHFFFAOYSA-N 359.405 1.915 0 40 FDAB NC(=O)CSCC(=O)Nc1ccc(I)cc1O 1638415705 MMMQIQIUXJZWCK-UHFFFAOYSA-N 366.180 1.154 0 40 FDAB O=C1CN(C(=O)C2CCN(c3cnccn3)CC2)CN1CCC(F)(F)F 622642770 SHKZITVOLNSSLG-UHFFFAOYSA-N 371.363 1.274 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)C[C@H]2O)cn1 628245579 CCKYKLMFAHGQAP-SJLPKXTDSA-N 357.410 1.031 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(OC)cc(Cl)c1F 643947360 WWKKHWUZVBZURK-INIZCTEOSA-N 358.797 1.855 0 40 FDAB CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)C1 668292486 ICJCAKBIPGVRDY-MELADBBJSA-N 350.419 1.735 0 40 FDAB COc1ccc([C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)CCO2)cc1OC 1176945702 KSBYCEUQEMJQCR-QGZVFWFLSA-N 370.409 1.613 0 40 FDAB CN(C(=O)[C@H]1CCc2ccccc2O1)C1CN(c2ccc3nncn3n2)C1 585592764 RBAFPCGAWNAKRY-MRXNPFEDSA-N 364.409 1.165 0 40 FDAB CCN(C(=O)c1cc(-c2cccc(F)c2)no1)[C@@H]1COC[C@@H](O)[C@H]1O 585286583 MHNMENBJQIORMN-FMKPAKJESA-N 350.346 1.063 0 40 FDAB CN1C(=O)S[C@H](CC(=O)N2CCC(O)(c3cccnc3F)CC2)C1=O 12186116 YGZSQCXJBZSNSN-LLVKDONJSA-N 367.402 1.115 0 40 FDAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CCC(=O)O)CN3C)n2)cc1 12529916 MHNWCKMYASQYLU-JSGCOSHPSA-N 374.397 1.471 0 40 FDAB biogenic,in-vitro O=C(NCCc1cc2nc(-c3ccco3)ccn2n1)[C@@H]1CCS(=O)(=O)C1 13266412 NIWCTTZDESEHAP-GFCCVEGCSA-N 374.422 1.083 0 40 FDAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(C2CCCC2)CC1 19446856 ZHAXJZYYCACZJA-QGZVFWFLSA-N 350.511 1.967 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCn3ccnc3C)C2)c1 19750210 WKZHHOQUOIBDNH-MRXNPFEDSA-N 356.426 1.479 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)NCc1ccccc1)CC(=O)N2 19820002 CXRVOCMRZNGYMG-CYBMUJFWSA-N 366.425 1.401 0 40 FDAB Cc1nnc(N2CC[C@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)s1 1888868614 PUPRBGGIGBXFHE-NSHDSACASA-N 363.468 1.506 0 40 FDAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)C3=CC=NC(=O)C3)C2)C1 2056224703 QJTRFWNQPCAWGM-HXUWFJFHSA-N 369.469 1.552 0 40 FDAB CC(C)N(C)CC(=O)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565547307 NMHDVXYQZULRPQ-VYDXJSESSA-N 351.422 1.698 0 40 FDAB O=C(C1CC(O)C1)N1C[C@@H]2C[C@@H](COc3cncc(Cl)c3)O[C@@H]2C1 1565554100 KEJFHUBYKSIWCK-VVGJQHRRSA-N 352.818 1.501 0 40 FDAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 910015 PSIQMQNWGNILFA-UHFFFAOYSA-N 372.429 1.297 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2cccc(F)c2)CC1 2055772903 UGPGJIIAXDLULC-UHFFFAOYSA-N 358.417 1.671 0 40 FDAB COCCN1CCO[C@H]2CCN(C(=O)Cc3noc4ccccc34)CC[C@@H]21 2055746292 KVZYSJWBUSOIGB-HKUYNNGSSA-N 373.453 1.709 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)s1 27205121 BCMPBXRXOLWSJZ-CYBMUJFWSA-N 356.469 1.689 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)c1 49410876 XNNICLSYWXREFU-UHFFFAOYSA-N 372.425 1.808 0 40 FDAB CCCC[C@H](C(=O)Nc1cc(C)on1)n1cnc2c1c(=O)n(C)c(=O)n2C 10432350 XSBOBMKRQFMKEF-LLVKDONJSA-N 374.401 1.100 0 40 FDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(-n4cnnn4)c3)cn2)n1 40145577 KQXVRQBHMORFFB-UHFFFAOYSA-N 374.408 1.790 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 101413412 SZVFGTAFVMUWFG-HNNXBMFYSA-N 355.398 1.443 0 40 FDAB CC1CCC(NC(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)o2)CC1 32777782 GIIFTPFLTCRAGN-CXQJBGSLSA-N 373.500 1.759 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 32755095 OASFWBPTIXELPX-UHFFFAOYSA-N 355.437 1.577 0 40 FDAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccco2)CC1 32851070 VYJPLLVLGGJQFE-ZDUSSCGKSA-N 369.425 1.594 0 40 FDAB C/C(Cl)=C/Cn1c(=O)c2c(nc(N3CCCCC3)n2C)n(C)c1=O 675801 GXGZOBVFXPVUBX-XFFZJAGNSA-N 351.838 1.567 0 40 FDAB CCCCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)nc1 42062301 WCZWDJXSTXAWET-ZDUSSCGKSA-N 354.476 1.728 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1CCOc1cccc(Br)c1 24210800 IFMJRZXARDHZRO-ZDUSSCGKSA-N 371.231 1.191 0 40 FDAB Cc1noc(C(C)C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 7529723 RWTPWZDZMQUGHD-UHFFFAOYSA-N 368.411 1.990 0 40 FDAB Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 101753446 MPMGYYYSXBITBB-WQYZEWQKSA-N 353.374 1.826 0 40 FDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 34876801 RFSCPFPKLACNJJ-UHFFFAOYSA-N 352.343 1.684 0 40 FDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1cncn1)CC3 25454652 NMNAOWPJWQIGQY-UHFFFAOYSA-N 353.382 1.521 0 40 FDAB C[C@H]1C[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626944 ASEHECICOLPMQJ-BBRMVZONSA-N 352.456 1.121 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 12616911 MCZDSTGVAJQERO-BETUJISGSA-N 358.394 1.615 0 40 FDAB NC(=O)c1ccc(C(=O)Nc2cccc(OCCn3cccn3)c2)nc1 58022972 SMDOZMYVZDGROK-UHFFFAOYSA-N 351.366 1.708 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(-n2cnnn2)c1 58191696 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355.412 1.422 0 40 FDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nc(C(F)(F)F)nn32)ccc1O 102335933 XHIQHVWZYOAAFU-QMMMGPOBSA-N 356.260 1.995 0 40 FDAB O=C(CCNS(=O)(=O)c1cccs1)NCc1ccc2c(c1)OCO2 3420292 MFTUGDJCPVDRLI-UHFFFAOYSA-N 368.436 1.462 0 40 FDAB C[C@@]1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 12997535 GYEUWPRORXEJDB-LLVKDONJSA-N 373.374 1.441 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1Cc2ccccc2O1 12917909 KOPHFKLDRIESLX-GOSISDBHSA-N 372.446 1.830 0 40 FDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 12972212 NVTNALIENTWGSM-UHFFFAOYSA-N 367.361 1.680 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)NCCSc1ccc(Cl)cc1 9155751 WIYOURHHQXTUEM-CYBMUJFWSA-N 367.858 1.975 0 40 FDAB COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 9238428 OESNDIUNJMLBGJ-QWHCGFSZSA-N 367.862 1.762 0 40 FDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)Nc1ccccc1F 67317365 QVKHUXPXNCPELY-UHFFFAOYSA-N 369.400 1.933 0 40 FDAB COc1cc(C(=O)N(C)CCOc2ccccc2)ccc1OCC(N)=O 14069665 MMQACGAZLBYFCZ-UHFFFAOYSA-N 358.394 1.710 0 40 FDAB COCCN1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348748 MBMMNTCGVZRGGO-DICRZQGBSA-N 371.437 1.100 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14110147 YZCCNFZTBSMCEK-JHJVBQTASA-N 368.455 1.192 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1 4502897 MBLDSLJTHAWGIX-UHFFFAOYSA-N 352.412 1.615 0 40 FDAB Cc1ccc(SCCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 14201098 IIADOBZWVTZUKU-UHFFFAOYSA-N 369.446 1.907 0 40 FDAB CC(C)N1CCN(c2ncc(C(=O)NCc3ccccc3)c(N)n2)CC1 65154680 FYSIZJDLANJHNX-UHFFFAOYSA-N 354.458 1.519 0 40 FDAB CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(C(N)=O)cc1 6507530 XWMIDNOVEYMXFW-UHFFFAOYSA-N 374.466 1.424 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2C 6600330 XTAAZKVHAZNKGL-UHFFFAOYSA-N 354.410 1.369 0 40 FDAB Cc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 4943426 HGVCUUMVZLLARO-UHFFFAOYSA-N 355.398 1.079 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](CCSC)C1=O 8131902 NJNGERZQRHGBMQ-JTQLQIEISA-N 371.846 1.961 0 40 FDAB NC(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 16809702 VOQGEJADBRMYLH-GOSISDBHSA-N 366.417 1.920 0 40 FDAB O=C1C[C@H](c2ccccc2)N2N=C(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)NC2=N1 17248775 IGSVDAVUJJGGQP-MELADBBJSA-N 363.377 1.141 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N(C)C)c2c1 17395762 RRZPLDZFXNNQJG-UHFFFAOYSA-N 351.428 1.673 0 40 FDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1 91773635 SGCUJECAUJHLRT-ZDUSSCGKSA-N 367.356 1.700 0 40 FDAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 8561382 CZSQXBHSMPATNU-UHFFFAOYSA-N 357.395 1.539 0 40 FDAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 8746438 VVBQOUDKUGJYIZ-HOCLYGCPSA-N 365.499 1.781 0 40 FDAB COc1cc(C(=O)O)cc(C(=O)NCC2(CN3CCN(C)CC3)CC2)c1 97301414 HYBLUCXEHOMYRJ-UHFFFAOYSA-N 361.442 1.151 0 40 FDAB O=C(NCCCC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccs1 84436871 TYBRAYGFESYMJQ-ZDUSSCGKSA-N 350.362 1.784 0 40 FDAB NC(=O)c1cn(C2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)nn1 95997901 SASIMVANAVLFQX-UHFFFAOYSA-N 368.224 1.700 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccc(C(=O)O)c2)C1 95991941 QZYOCUKMDKJDNZ-HNNXBMFYSA-N 368.455 1.105 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(C)C)C2)c1 95994546 YUZPKXFQYRQEPY-INIZCTEOSA-N 354.472 1.870 0 40 FDAB CN(C)CCN1CCC[C@@]2(C[C@H]3CN(Cc4nccs4)C[C@H]2O3)C1=O 306144441 ZFHYTLXMVHZORG-DAYGRLMNSA-N 364.515 1.287 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccn1 22659349 XKBFYLDJEBZYLO-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB O=C(NCCCCCO)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408707455 BIOJAGLYEBOVGZ-UHFFFAOYSA-N 361.442 1.576 0 40 FDAB Cc1cc(=O)c(OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)cn1C 524734517 MOGNFBAGLWJPIY-IBGZPJMESA-N 366.421 1.712 0 40 FDAB CC1CCC(N2C[C@@H](C(=O)N(CC(=O)O)C3CCOCC3)CC2=O)CC1 532602456 DURXEMUHJFHSFH-SLTAFYQDSA-N 366.458 1.506 0 40 FDAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNS(C)(=O)=O)C=C1C 30880484 GBTRQKNDLRROIJ-JYJNAYRXSA-N 360.520 1.543 0 40 FDAB biogenic,in-vitro CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218344042 NKMNXJBMAUHNCF-STQMWFEESA-N 358.387 1.449 0 40 FDAB COc1ccc2nnc(CCC(=O)NCc3nc4ccccc4[nH]3)n2n1 79480744 YCNUOCQMSDEBIV-UHFFFAOYSA-N 351.370 1.258 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@@]34NC(=O)c3cccnc3N4)C2)cn1 72342844 UIKSBZJUXDFXNN-YYFZDKIDSA-N 363.421 1.819 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1 75158046 JSUXTUJZZIDJTQ-GIDUJCDVSA-N 360.483 1.810 0 40 FDAB Cc1ncc(C(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)c(C(C)C)n1 571582726 ZQMJLRIBKVSPLX-UHFFFAOYSA-N 358.402 1.675 0 40 FDAB COc1ccccc1[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)OC 96385068 IRCFMUSGYYQUPD-OAHLLOKOSA-N 353.444 1.712 0 40 FDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 96380147 LZUODCILDLYPEY-UHFFFAOYSA-N 361.467 1.827 0 40 FDAB CN(C)Cc1nn(C)c2c1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 96084153 VRPWWAVWXYLQFM-UHFFFAOYSA-N 370.425 1.507 0 40 FDAB CC(C)[C@H](C(=O)NCCc1nccs1)n1nnc2ccccc2c1=O 95479004 FDIZRFFQZUFPFM-OAHLLOKOSA-N 357.439 1.804 0 40 FDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@H](COc2ncccc2F)C1 247314693 JUWVFFOAPJHZMW-LBPRGKRZSA-N 352.391 1.345 0 40 FDAB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC1)C2 604381262 GLVMHOHALYSBMK-GOSISDBHSA-N 356.470 1.842 0 40 FDAB biogenic,in-vitro CN[C@@H]1CO[C@@H]2CCN(C(=O)CC3(O)CCCCC3)C[C@@H]2C[C@@]1(C)O 257233454 GPHULHSVOYLZNS-BVIKNXMNSA-N 354.491 1.048 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257314033 UVBUSWLLPMYXJJ-OAHLLOKOSA-N 358.446 1.401 0 40 FDAB Cc1onc(C(C)C)c1C(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257338021 YVMNCNFRISBFGK-GOSISDBHSA-N 359.430 1.658 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC 257258639 KUWMEQVCELOLGG-APWZRJJASA-N 359.470 1.817 0 40 FDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@]1(C)CCOC1 543468519 JSBKUZAOBDSBOF-KRWDZBQOSA-N 354.472 1.557 0 40 FDAB CCc1noc(CCC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)n1 257219773 DIBYQUOPMLFPDD-SFHVURJKSA-N 359.430 1.107 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)CN3CCCCC3)CC2)C[C@]1(C)CO 257292068 QJVKMJUFDMIEQS-GOSISDBHSA-N 351.491 1.084 0 40 FDAB CN1CCN(Cc2cccc(NC(=O)c3ccc(C(=O)O)nc3)c2)CC1 619615087 DUMXXLWLJYTUHN-UHFFFAOYSA-N 354.410 1.780 0 40 FDAB COc1c(C)cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cc1C 274921809 BJWNZHNIPYZHQN-UHFFFAOYSA-N 357.428 1.472 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCC2=CCN(C)CC2)[C@H]1c1ccnn1C 613264539 CYPFYYPGCNGSIG-YJBOKZPZSA-N 359.474 1.098 0 40 FDAB C[C@]1(C(N)=O)CCN(C(=O)c2cc(Br)c3nccn3c2)C1 632832908 RABDHFNYUDOENP-AWEZNQCLSA-N 351.204 1.434 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)cnn1C 643670749 LYCIUPJNKPBMBI-ZDUSSCGKSA-N 350.448 1.110 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)Cc2c(C)cccc2C)C[C@H]1c1cnn[nH]1 657145757 SAFQAKMUBJMSRY-XJKSGUPXSA-N 350.444 1.366 0 40 FDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(N(C)C)ncn1 298649412 ODTZEUWSHOQJFV-GFCCVEGCSA-N 355.464 1.075 0 40 FDAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(Cc3nccs3)C2)C1 585101113 DXKSQZYNCLXUFQ-ZDUSSCGKSA-N 362.377 1.933 0 40 FDAB Cc1nccc([C@@H]2CCCN(CC(=O)N3CCC4(CC3)OCCO4)C2)n1 585145885 GGJBSBHTOOLJAZ-MRXNPFEDSA-N 360.458 1.330 0 40 FDAB O=C1CN2CCN(C(=O)c3cccnc3)C[C@@H]2COc2ccccc2N1 1772594639 AUXOENUPGMCEBR-OAHLLOKOSA-N 352.394 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351.520 1.031 0 40 FDAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCc2ccccc2C1 14198966 FSHXMJNWCKMJGY-ZDUSSCGKSA-N 352.390 1.916 0 40 FDAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNC(C)=O 4571130 MGEUIUUMPBIWHY-IBGZPJMESA-N 363.458 1.972 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1 6640333 XHQWNEBDQMTFHP-AWEZNQCLSA-N 359.304 1.141 0 40 FDAB CC[C@@H](CO)NC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6759485 WTJQWMZNKLJIRU-QMMMGPOBSA-N 370.427 1.123 0 40 FDAB CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2)NC(=O)N[C@H]1C 6998272 DFUDUSXEQDGIRS-JTQLQIEISA-N 374.426 1.273 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 7640660 MGXXKFPMQLNWHH-ZDUSSCGKSA-N 350.444 1.542 0 40 FDAB CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8133556 MCKNUPPRWOACBL-UHFFFAOYSA-N 365.499 1.990 0 40 FDAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)N3CCOCC3)n2C)c1 8328882 XWZMFLHSJLYLAC-LBPRGKRZSA-N 362.455 1.830 0 40 FDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1 9690880 XYXBOYVENIFIAL-UHFFFAOYSA-N 355.460 1.062 0 40 FDAB 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0 40 FDAB O=C(O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1N1CCOCC1 785062 GAFLASPBSWJQRD-KGLIPLIRSA-N 374.393 1.827 0 40 FDAB CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 1643000 ZVWIAQOLLNVEGA-PBHICJAKSA-N 353.422 1.278 0 40 FDAB COC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)c1cnc2ccccc2n1)C(C)C 1703486 KCGVZEMKIYGFGP-IAQYHMDHSA-N 358.398 1.062 0 40 FDAB COc1ccc2cc(C(=O)NCCCC(=O)O)sc(=O)c2c1OC 2668731 HVTLBJRLPIWECI-UHFFFAOYSA-N 351.380 1.873 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 946529 OLIIMONMVGDYDK-OPQQBVKSSA-N 364.345 1.341 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 4269860 OLIIMONMVGDYDK-GBIKHYSHSA-N 364.345 1.341 0 40 FDAB O=C(CSc1nc2nc(O)[nH]c(=O)c2s1)Nc1cccc(F)c1 4987584 XXNBRURHPAXVEM-UHFFFAOYSA-N 352.372 1.955 0 40 FDAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC[C@H]1CCCO1 6876238 ZNKUFIDWFDSENZ-CQSZACIVSA-N 360.366 1.882 0 40 FDAB S=c1n(CN2CCN(c3ncccn3)CC2)nnn1C1CCCCC1 24766696 YMFVZRROPPDYDQ-UHFFFAOYSA-N 360.491 1.884 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c[nH]1 25194188 NEICQOCSRIXZIY-UHFFFAOYSA-N 365.773 1.403 0 40 FDAB Cc1ccsc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 57318528 UVWXPIBCZRQQBE-UHFFFAOYSA-N 364.471 1.774 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1C 23641547 GNEWSPYSONMUCO-HNNXBMFYSA-N 363.458 1.745 0 40 FDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CCC(=O)N1CCOCC1 48263422 HHTMZKBAQCQPPC-UHFFFAOYSA-N 369.439 1.062 0 40 FDAB CNC(=O)c1nn(CN(C)Cc2ccc(OC)cc2)c(=O)c2ccccc12 12758425 LFYYMTNLEPDRNX-UHFFFAOYSA-N 366.421 1.854 0 40 FDAB O=C1NCCN(S(=O)(=O)c2cc(F)ccc2F)[C@H]1c1ccccc1 58305401 HIPKJYZJGBWPIZ-HNNXBMFYSA-N 352.362 1.827 0 40 FDAB COC(=O)c1ccc(Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)nn1 58440131 AZKSOSTYUIIOAL-LLVKDONJSA-N 367.369 1.798 0 40 FDAB COCCNC(=O)c1c(N)n(CCCN(C)C)c2nc3ccccc3nc12 2221456 DZRCUPANLJIQNH-UHFFFAOYSA-N 370.457 1.495 0 40 FDAB CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(=O)cccc-3[nH]c2-1 104942992 ZNTSSYJZVXCQGE-HXUWFJFHSA-N 364.357 1.325 0 40 FDAB Oc1on[n+](-c2ccccc2)c1Sc1c(O)on[n+]1-c1ccccc1 2346568 RXIGLWDCHLBRIW-UHFFFAOYSA-P 356.363 1.778 0 40 FDAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(=O)n(CCOC)n2)cc1 21960364 ANKNVFKWBGLVPZ-UHFFFAOYSA-N 372.469 1.662 0 40 FDAB COC(=O)c1cccc(OC[C@H](O)Cn2c(C)nc3ccccc3c2=O)c1 28920516 RIKLAWQHMUZZSA-OAHLLOKOSA-N 368.389 1.931 0 40 FDAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3403989 DDLLUNRJPBOJLM-SECBINFHSA-N 362.835 1.449 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)N1CCCCCC1 12910593 KFHXTMDLPKVTTH-UHFFFAOYSA-N 371.478 1.885 0 40 FDAB C[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1-c1ccncc1)N(C)C1CC1 84638282 ALPGMKSHZFCQIM-LBPRGKRZSA-N 356.430 1.020 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC 13625593 NZYXEJQFJCVIAO-GFCCVEGCSA-N 367.471 1.691 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1OC 6023182 QHAHKCVHHLVOAR-LBPRGKRZSA-N 358.460 1.533 0 40 FDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 13724116 UNGFXERJMWTEJJ-CQSZACIVSA-N 366.439 1.752 0 40 FDAB O=C1CCCN1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 4547779 GDRNWNZYNRIQHH-UHFFFAOYSA-N 353.374 1.615 0 40 FDAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccco1)C3 4502356 LTDBXNHBINGNOP-VIFPVBQESA-N 358.379 1.895 0 40 FDAB CCn1c(SCC(=O)N2CCCC[C@@H]2C(N)=O)nnc1-c1ccco1 9387143 FQGDJZSCTNRMON-LLVKDONJSA-N 363.443 1.517 0 40 FDAB COc1nc(OCCNC(=O)Nc2ccc(Cl)cc2)nc(N(C)C)n1 6745517 GHXZOAQXQMLZSI-UHFFFAOYSA-N 366.809 1.800 0 40 FDAB COC(=O)[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 9576625 QOVDVNPBKIZCMC-ZDUSSCGKSA-N 368.455 1.461 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(C)n2-c2ccc(C)cc2)CC1 8090366 KVCUHZDMHAMPDU-UHFFFAOYSA-N 373.482 1.667 0 40 FDAB CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 8429420 ACARTGQAQWANBT-UHFFFAOYSA-N 352.865 1.886 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCOc2cccc(C)c2)NC(=O)NC1 18273355 LMSNTIPUJMOXBG-UHFFFAOYSA-N 362.382 1.437 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)CN2CCCc3ccccc32)c2ccccc2O1 8710576 CJXUWTBCWBODNV-SFHVURJKSA-N 351.406 1.719 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8741086 XVNYRZXWENQECW-UHFFFAOYSA-N 367.453 1.112 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Cn3cncn3)o2)c1C 8734263 RMKNVBQMUIVCIQ-UHFFFAOYSA-N 360.399 1.832 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)c1 95459969 HMXNVJYUKFKXTR-UHFFFAOYSA-N 358.379 1.665 0 40 FDAB CCS(=O)(=O)N1CCc2cc(-c3csc(CC(=O)NC)n3)ccc21 72312480 LLIALOXGRJMLEP-UHFFFAOYSA-N 365.480 1.811 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@@H]2c2cn(C)cn2)C1=O 306123866 AYXBFIXTFLPWMJ-KUHUBIRLSA-N 372.425 1.118 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOC)cc1C 408619711 IPVQFKDRYJPFGZ-ZDUSSCGKSA-N 358.460 1.213 0 40 FDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Cl)cc1OC 408547820 ACPKKIAFYSHLPK-VZUCSPMQSA-N 368.773 1.813 0 40 FDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 32518194 JUWQIANYUFLKDL-UHFFFAOYSA-N 362.407 1.677 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)no1 306144998 ZUJQBOXCUAMBEO-ZDUSSCGKSA-N 353.386 1.354 0 40 FDAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O)C(=O)O 71334130 VEYKCNSXNMWARE-SGTLLEGYSA-N 373.409 1.534 0 40 FDAB O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35897850 KZTOSAGJSYOPQE-KXNHARMFSA-N 350.396 1.457 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c1C 35338678 CGYOKNNZRIQBNA-CQSZACIVSA-N 371.441 1.602 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCCN(c4ccccn4)CC3)cc2o1 72392144 ZZPPVEBTXWDWRI-UHFFFAOYSA-N 374.422 1.417 0 40 FDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc3nsnc3c2)n[nH]1 225555564 IOUBTLSAFFFROW-AWEZNQCLSA-N 356.411 1.881 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 223280834 LWBDVOUBICJKFU-ZDUSSCGKSA-N 360.435 1.951 0 40 FDAB COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCCCC1 85863635 RPSYAUPMUXVADA-CABCVRRESA-N 373.453 1.853 0 40 FDAB biogenic CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cnc(C(=O)O)cn1 515300779 YXOKVDDBTFZZMM-UHFFFAOYSA-N 369.425 1.949 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 85473586 YIVFYTDHDMMBNE-QWHCGFSZSA-N 365.455 1.075 0 40 FDAB Cc1nc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 331705274 ZGIFCCWPCCCUQS-UHFFFAOYSA-N 364.427 1.435 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccncc1F)C2 96237753 VAXVPYWGINNSJN-HXUWFJFHSA-N 368.412 1.784 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccncc1)C2 96077266 VVDYJIOMNIHDGS-GOSISDBHSA-N 356.451 1.706 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1ccccn1 96240163 JCEYVPDBANNNIA-LJQANCHMSA-N 354.410 1.111 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224461 HEUSIINYTKBOLC-LJQANCHMSA-N 351.410 1.527 0 40 FDAB O=C(Cc1ccccn1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109082 BXBFKTBYFNJTAO-KUHUBIRLSA-N 357.385 1.712 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccccn1)C2 96050197 IAFFSFRMFFWNJU-FQEVSTJZSA-N 365.437 1.316 0 40 FDAB Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@]3(CC(=O)N(C)C3)C2)o1 97952761 RHCVBRYRLOISCW-IBGZPJMESA-N 362.474 1.672 0 40 FDAB Cc1cccc(COC[C@H]2CCS(=O)(=O)C23CN(C(=O)C2CC2)C3)n1 247873929 NDACZDYYRQTDHL-OAHLLOKOSA-N 364.467 1.332 0 40 FDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)NCC2CC2)C1 248032290 LPFZAXZIBFMLMQ-OAHLLOKOSA-N 355.442 1.449 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2=O)[C@@H]1c1ccccc1C 257278867 ODZOYCBWVKIXKH-APWZRJJASA-N 357.454 1.643 0 40 FDAB O=C(Cc1ccc2ccccc2c1)N1CC[C@](O)(CN2CCOCC2)C1 257342363 ZOHAHSOUTBZZFQ-NRFANRHFSA-N 354.450 1.678 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cccc(OCC(F)(F)F)c1 616773094 LRVXGBFZTPWWSN-BFHYXJOUSA-N 355.316 1.929 0 40 FDAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)c1ccc(OCC(F)(F)F)cc1 643856138 VIONZWXBSKOQFX-LLVKDONJSA-N 370.287 1.328 0 40 FDAB O=C(CN1CCCC[C@H](O)C1=O)NCc1ccccc1N1CCCCC1 644421961 WUVHCEJALCAJGP-SFHVURJKSA-N 359.470 1.667 0 40 FDAB COC(=O)c1cn(CCNC(=O)Nc2cccc3c(O)nccc23)nn1 1677609242 FEBPDBWNILJRIO-UHFFFAOYSA-N 356.342 1.140 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 651516686 BBWGQLHEHPZTOW-VIFPVBQESA-N 370.855 1.181 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C(=O)O)C2)[C@H]1Oc1ccccc1 666543325 VDYRDJIGMYSHTM-ZJIFWQFVSA-N 364.398 1.106 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)n1 585108299 UJEBQXTZXZADST-YESZJQIVSA-N 372.425 1.538 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)CC1CC1 585097271 HLQZAQFIJHZOOK-AWEZNQCLSA-N 367.453 1.840 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 685942759 NVPZKKGKWJLZBL-HWWQOWPSSA-N 357.389 1.720 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cn[nH]c3C)CC2)c(C)s1 68933570 DVVIZGLLIUBSLJ-UHFFFAOYSA-N 368.484 1.543 0 40 FDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)COCC(=O)O 1775964290 AWMDPZNYGLEGQM-ARLBYUKCSA-N 366.458 1.410 0 40 FDAB biogenic,in-vitro O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cccc(Cl)c1 49092272 YIXMSJPGMDKMTD-INIZCTEOSA-N 365.861 1.279 0 40 FDAB Cn1cnc(CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)c1 1615192354 PZRXOZNYQJJGFH-UHFFFAOYSA-N 354.520 1.836 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)OCc1ccccc1 5062876 FZQWLJMANGJGLI-CYBMUJFWSA-N 354.428 1.324 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 5360401 BXHZCVPUANZYCE-UHFFFAOYSA-N 374.378 1.006 0 40 FDAB O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5397012 CPQNVPQSTCCWDK-GOEBONIOSA-N 373.416 1.960 0 40 FDAB biogenic,in-vitro COc1ccc(C2(O)CCN(CCNC(=O)c3ccccn3)CC2)cc1 12326334 CQHGLQALHZNFGO-UHFFFAOYSA-N 355.438 1.804 0 40 FDAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCCCOC)c2ccccc12 14136046 CJKQCTJRTGAAQL-UHFFFAOYSA-N 373.453 1.845 0 40 FDAB Cc1cnn(CC(=O)N2CCC[C@@H](NC(=O)c3scnc3C)CC2)c1 19749829 QQHLFWSPDWZFGS-CQSZACIVSA-N 361.471 1.768 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 239593167 DRZXGTROLLPXLW-OAHLLOKOSA-N 374.466 1.793 0 40 FDAB O=C1CC[C@@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)[C@H](C2CC2)N1 557157594 SWSJKNJFJOLMGH-MJGOQNOKSA-N 357.454 1.435 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 8267733 WDMQSNZZFDUDSL-CYBMUJFWSA-N 351.834 1.574 0 40 FDAB Cn1c(N2C[C@H]3CN(C(=O)Cn4cccn4)C[C@@H]3C2)nc2ccccc21 1888890222 LAIFFSUAHHJVRF-HUUCEWRRSA-N 350.426 1.365 0 40 FDAB CN1C[C@H](CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)OCC1=O 1850013368 WXMUKUMAXQOQBN-CYBMUJFWSA-N 358.364 1.080 0 40 FDAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cc(C5CC5)on4)C3)CC2=O)cn1 1146922156 VIBALDSSMFNVFE-SFHVURJKSA-N 355.398 1.555 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565547720 MRPJLIHIGPQHLO-UHFFFAOYSA-N 370.428 1.622 0 40 FDAB CCCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314208 VFHWEXLWGDILBV-CYBMUJFWSA-N 359.430 1.437 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1C[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]1O2 2055745493 DIUVHDRXCFMVSS-GVDBMIGSSA-N 367.405 1.103 0 40 FDAB COCCN1CCO[C@H]2CCN(C(=O)Cc3noc4ccccc34)CC[C@H]21 2055746294 KVZYSJWBUSOIGB-MJGOQNOKSA-N 373.453 1.709 0 40 FDAB Cc1cc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n2ncnc2n1 2298194487 GYIHRCXEYUXCAU-ZDUSSCGKSA-N 364.400 1.907 0 40 FDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@@H]3CCCNC3)C1)O2 12122867 DUGWHVRCEARLOQ-JLTOFOAXSA-N 373.453 1.178 0 40 FDAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1C 30209660 UNUQUBCIWAVKQC-UHFFFAOYSA-N 351.472 1.402 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101122457 ORTZNSHVPXWAMT-ZIAGYGMSSA-N 364.423 1.204 0 40 FDAB CC(=O)NCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 53599356 ZNTNTZMZYNLIEE-UHFFFAOYSA-N 352.394 1.779 0 40 FDAB O=C(NCCNC(=O)c1ccco1)c1ccc(OCC(F)(F)F)nc1 22901838 COTZJSGVCZVIIG-UHFFFAOYSA-N 357.288 1.776 0 40 FDAB Cc1nn2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc2s1 78547058 OKVDNEXAQFJPRZ-UHFFFAOYSA-N 364.452 1.787 0 40 FDAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 54146645 NQLIFSVLQIEXJD-KRWDZBQOSA-N 367.515 1.610 0 40 FDAB Cc1ccc([C@H](C)NC(=O)COC(=O)CN(C)c2ncccn2)cc1C 23173841 BTZJXKSGQWPCKP-HNNXBMFYSA-N 356.426 1.950 0 40 FDAB CCn1c(SCC(=O)c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4161091 QUYXUPLFAQZNAO-UHFFFAOYSA-N 364.452 1.490 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269789 YOLOFISUIIPWFO-VDDIYKPWSA-N 352.334 1.874 0 40 FDAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)cc2n1 100138070 ADXUIFPIRLMXSS-LBPRGKRZSA-N 352.398 1.807 0 40 FDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 7939652 KNQZXUQNMVMLKU-FESDDOHESA-N 373.361 1.153 0 40 FDAB NC(=O)[C@H](NC(=O)NCC(=O)N1CCCc2ccccc21)c1ccccc1 84519332 YECRYEKULKFYLZ-GOSISDBHSA-N 366.421 1.492 0 40 FDAB COCCCNC(=O)CSc1nnc(-c2ccccc2)n1CCOC 8103803 ZXWRMSCKCQZMND-UHFFFAOYSA-N 364.471 1.836 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O 8392923 ZYZUHDMMKOBATI-UHFFFAOYSA-N 366.443 1.192 0 40 FDAB CN(CC(=O)N1CCCC1)c1ccc2nnc(-c3ccccc3F)n2n1 57136681 RCOOFWVLLBSSQB-UHFFFAOYSA-N 354.389 1.989 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)NCCC(=O)NC2CCCCC2)C1 57178579 XIVFQUJULBTERZ-QGZVFWFLSA-N 368.522 1.481 0 40 FDAB Cc1ccc(-n2nnnc2N2CCCN(C(=O)c3ccccn3)CC2)cc1 57140733 UNCRPKYNODUGIS-UHFFFAOYSA-N 363.425 1.718 0 40 FDAB O=C(c1ccc(O)cc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58179118 ZXSBLKOPOWBVAO-UHFFFAOYSA-N 350.378 1.867 0 40 FDAB O=C(CN1C(=O)CCC1=O)OCC(=O)c1ccc(Br)s1 24792207 VVANCFSLGIWHQX-UHFFFAOYSA-N 360.185 1.386 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2F)n(C)c1 58228515 HZUKWCUGPYKNGW-UHFFFAOYSA-N 367.446 1.780 0 40 FDAB COC(=O)c1ccc(CNC(=O)Cn2c(-c3cccs3)noc2=O)cc1 58209844 AJBUNHSQGMZHBF-UHFFFAOYSA-N 373.390 1.668 0 40 FDAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCCN(CC(N)=O)CC1 58223780 LHCILTOXJMMDNZ-LBPRGKRZSA-N 355.891 1.840 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 27753333 ZTJCRQRREPFZID-UHFFFAOYSA-N 366.377 1.997 0 40 FDAB CN(CCCS(C)(=O)=O)[C@@H](C(N)=O)c1cccc(Br)c1 95449839 CSFPJODTZYFYAG-GFCCVEGCSA-N 363.277 1.342 0 40 FDAB COC(=O)c1ccc(COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 103061471 MKWDWHMNTXVCIF-GASCZTMLSA-N 357.362 1.468 0 40 FDAB CCCCCNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029637 PORBBQRBYNHTMC-OAHLLOKOSA-N 373.496 1.567 0 40 FDAB CN1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2ccncc2)no1 20464201 HTUSGRSDRQCZCS-KBPBESRZSA-N 351.370 1.097 0 40 FDAB biogenic,in-vitro CCOc1ccc(C(=O)NCCc2nc(N)nc(N(C)C)n2)cc1OCC 12973530 LDYWQBWYOXZDJY-UHFFFAOYSA-N 374.445 1.290 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4043374 VVSILPIHCMHNLR-WRQOLXDDSA-N 351.399 1.116 0 40 FDAB biogenic CC(=O)N[C@H]1[C@H](Oc2cccc(C)c2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4185055 IHIIXTOFXQNUHT-WRQOLXDDSA-N 351.399 1.116 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2ccc3ccccc3n2)C1=O 14138736 IYZBFHSIHYUCMA-GOSISDBHSA-N 350.334 1.940 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 6509046 ZMYFRBICJCAOQR-UHFFFAOYSA-N 368.437 1.427 0 40 FDAB Cc1n[nH]c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nc1=O 5625770 PPIJMZYVOBKGIU-UHFFFAOYSA-N 362.411 1.769 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)C1CC1 7087781 FCXWEZBZOXNTLR-XLFHBGCDSA-N 351.353 1.647 0 40 FDAB Cc1cc(N2CCn3cc(C(=O)NC4CC4)nc3[C@H]2C)n2ncnc2n1 306142596 XEBUQNJPXZQIIZ-LLVKDONJSA-N 352.402 1.103 0 40 FDAB CN1CCN(C(=O)[C@@H](C(=O)c2cccc(Cl)c2)n2ccccc2=O)CC1 19840707 BEINFMNVFNKDLX-QGZVFWFLSA-N 373.840 1.700 0 40 FDAB S=C(/N=c1/sccn1Cc1ccccc1)NCCN1CCOCC1 7971383 YVZFMWPFHKYHKX-HTXNQAPBSA-N 362.524 1.705 0 40 FDAB CC(=O)NCCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 8328613 RTMHAKUHLDGCDX-ZDUSSCGKSA-N 368.455 1.400 0 40 FDAB O=C(CCNC(=O)C1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 69979708 RZJTVTQJPZBRRR-QGZVFWFLSA-N 355.442 1.832 0 40 FDAB NS(=O)(=O)c1cc(C(=O)OCc2nccn2C(F)F)ccc1Cl 8706413 RUEHOASRTGPQHV-UHFFFAOYSA-N 365.745 1.936 0 40 FDAB Cc1nn(-c2ccccn2)c(N)c1[C@@](O)(c1nccn1C)C(F)(F)F 8725308 HDFALWFPPWUFQD-CQSZACIVSA-N 352.320 1.690 0 40 FDAB COC(=O)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 96765932 MMIOYSINHGLIPC-TYVLLQCESA-N 355.371 1.308 0 40 FDAB Cc1cc(=O)c(C(=O)NC[C@@H](C)O)nn1-c1cccc(C(F)(F)F)c1 96968439 WIOCTYGUZWAMAV-SNVBAGLBSA-N 355.316 1.670 0 40 FDAB CNC(=O)CC(=O)OCC(=O)c1cc(C)n(NC(=O)c2ccccc2)c1C 97164512 HTJPIJAXLBECIN-UHFFFAOYSA-N 371.393 1.351 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)OCC)c1 408585067 BSDDWXCPVZJPKH-UHFFFAOYSA-N 360.432 1.969 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCN(CCO)CC1 35112031 LKXALFMSMOHPRM-UHFFFAOYSA-N 363.277 1.056 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 306140822 VEQNFULINXQBTL-GGPKGHCWSA-N 359.470 1.843 0 40 FDAB COc1ccc(C(C)C)cc1S(=O)(=O)NCCCN1CCOCC1 408700336 DIIGLLOIJUGGKE-UHFFFAOYSA-N 356.488 1.819 0 40 FDAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 188938571 FWMUVPNIKYAQSD-KBPBESRZSA-N 354.410 1.943 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1=O 75163204 OMVZEELWWRHXHB-KPKJPENVSA-N 365.393 1.727 0 40 FDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cccnc1O 225772744 SGBCBZJTGKUOLB-UHFFFAOYSA-N 361.785 1.592 0 40 FDAB COCc1nn2c(nnc3c(=O)n(CCO)ccc32)c1-c1ccc(F)cc1 40392092 CHGJBMJOWQBEDV-UHFFFAOYSA-N 369.356 1.384 0 40 FDAB CCOC(=O)C1(c2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)CC1 225873858 SBWDAAKXBDTZFU-UHFFFAOYSA-N 358.394 1.759 0 40 FDAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 230211738 QINNBCZMAYXQOG-KCQAQPDRSA-N 362.426 1.334 0 40 FDAB CCOC[C@H]1C[C@@]2(COCCN2S(=O)(=O)c2ccc(OC)cc2)CO1 96240746 OQIFZUMVDSFQIU-NVXWUHKLSA-N 371.455 1.280 0 40 FDAB NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3)CC2)O1 96263093 LNJIGANHLGVNFP-AWEZNQCLSA-N 355.398 1.290 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230231 NQUHMJFFFHSEEE-GJRWTSMGSA-N 360.410 1.370 0 40 FDAB CCc1nc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cn1CC1CC1 585098136 MBDPRCGWKKRZLS-UHFFFAOYSA-N 353.404 1.088 0 40 FDAB O=C(c1cccc(-c2nnco2)c1)N1CCC[C@H](CN2CCOCC2)C1 585080035 ZNOIVVVEKJGQOZ-OAHLLOKOSA-N 356.426 1.921 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCC2)c1 257331487 XTBGRRZBBHRDOW-UHFFFAOYSA-N 355.442 1.334 0 40 FDAB Cc1cccc2nc(C(=O)N3CCOC[C@H](Cc4ccncn4)C3)cn12 257228953 FVZKWIKDGTXJQE-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Cc1nnc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nccn12 605432836 YOLKMVJSGTYVHN-UHFFFAOYSA-N 369.404 1.333 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)c2cc(C)n(C(C)(C)C)n2)C[C@H]1c1nccn1C 1615551259 XDLOIBCXMODNKI-GDBMZVCRSA-N 372.473 1.424 0 40 FDAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)NCCC3=CCCCC3)ccc21 96362910 GXKSXPKBUZXMFM-LJQANCHMSA-N 371.481 1.835 0 40 FDAB OCc1ccc(F)c(CN2CCc3ncnc(N4CCOCC4)c3C2)c1 625123882 FSBIWGJMRDUIRE-UHFFFAOYSA-N 358.417 1.503 0 40 FDAB Cc1nnc2n1C[C@@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)CC2 683385548 GQYKIXAHFXBUDB-NSHDSACASA-N 358.427 1.360 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2cccc(F)c2)c2cccc(O)c2)C1 575422299 URODARMXZOUZCD-DLBZAZTESA-N 351.399 1.696 0 40 FDAB Cn1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1C(N)=O 66620192 HTQMJEVIURYXME-KRWDZBQOSA-N 354.410 1.816 0 40 FDAB CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cnc(C2CCNCC2)[nH]1 685941603 DNKLFMFWGYQRIV-INIZCTEOSA-N 353.426 1.433 0 40 FDAB CCC(C)(C)NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 84334341 RFMBQASVGXAQOQ-CHWSQXEVSA-N 351.451 1.829 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(N2CCC[C@H]2CO)CC1 96099747 XAVICDLXAMMKBG-HNNXBMFYSA-N 372.462 1.444 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)O 12794467 IJKLQZDYJBMDNM-LBPRGKRZSA-N 362.835 1.429 0 40 FDAB Cc1ccn(CCC(=O)N2CCc3nc4c(C)csc4c(=O)n3CC2)n1 13227743 XQWHHYKGJXGTIV-UHFFFAOYSA-N 371.466 1.746 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500747 OWDXQNUTULMXQF-XMDUPGNXSA-N 360.410 1.370 0 40 FDAB Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)N4CCCCCC4)C3)nc12 19747161 YJBPYYMPQVFPEK-KRWDZBQOSA-N 370.453 1.886 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1F 19934021 XYDIHJUTJVWXFK-UHFFFAOYSA-N 365.430 1.755 0 40 FDAB COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 156021187 PAJCGNQLELRGMM-WBMJQRKESA-N 363.439 1.819 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccn4C)CC3)CC2=O)cc1 11027471 NGBQZHBYGKTRHN-INIZCTEOSA-N 367.453 1.430 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Cl)s2)CCO1 681943494 XHYXDFRKYRUSON-JTQLQIEISA-N 360.819 1.176 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1)C2=O 10055750 RAMTYRAOGLFOKH-UHFFFAOYSA-N 373.409 1.669 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(-c4nccs4)cc3)cnc21 10307807 DGKPQXUMZPRLCY-UHFFFAOYSA-N 366.406 1.892 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)[C@@H]5CC=CCC5)C[C@H]4C3)ncnc21 1888866269 ODDMYYCXJHKQQP-RBSFLKMASA-N 352.442 1.614 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)c1F 1888897723 QXOHIDBFNRIHJY-VXGBXAGGSA-N 368.420 1.427 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nccc(OC)n5)C[C@@H]4C3)ncnc21 1888903779 AKVVSBPLJNORIS-STQMWFEESA-N 366.429 1.217 0 40 FDAB Cc1cccc(NC(=O)CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1 1888944458 KMAATFPZBMTDPK-HNNXBMFYSA-N 351.472 1.480 0 40 FDAB O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]2C1 1565546505 DKGQDJHZGXPJLA-UKRRQHHQSA-N 350.390 1.861 0 40 FDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O 1565551261 NZKLTQPKSDUJMM-BEFAXECRSA-N 364.392 1.885 0 40 FDAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)N1CCCC1 4330165 GRPMTJWZCRZVFQ-UHFFFAOYSA-N 370.478 1.890 0 40 FDAB CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 20057817 KVROIWLPPJSCGQ-RYUDHWBXSA-N 356.831 1.596 0 40 FDAB biogenic CCN1CCN(C(=O)NC[C@@H](OC)c2ccc(Cl)s2)C(=O)C1=O 225705239 PSVIECMYSKIYBX-SECBINFHSA-N 359.835 1.489 0 40 FDAB O=C(Nc1ncnc2[nH]cnc12)C1CN(c2cc(-c3ccccc3)ncn2)C1 575414029 MKPHSKXQGZGDGO-UHFFFAOYSA-N 372.392 1.885 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)cc1 206716973 QAZCRZTTWSRBMP-OAHLLOKOSA-N 354.384 1.644 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 11795897 HDAHDYNWNPCIJZ-ZDUSSCGKSA-N 369.468 1.660 0 40 FDAB N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2033818 IMMPMHKLUUZKAZ-AEFFLSMTSA-N 351.406 1.850 0 40 FDAB endogenous,in-man COc1cccc(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 31095184 BAOXZVYFGXNRLX-GOSISDBHSA-N 365.499 1.702 0 40 FDAB Cc1cc([C@@H]2CCCN2C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)no1 31161696 ITNQVVYJJRGFFM-HNNXBMFYSA-N 354.366 1.350 0 40 FDAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCCN(c2cnccn2)C1 31294862 DXOTYLGYJNMHCE-CZUORRHYSA-N 362.380 1.821 0 40 FDAB NC(=O)[C@@H]1CN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCO1 51131611 PDFAIXDRACJDKS-DLBZAZTESA-N 357.385 1.692 0 40 FDAB Cc1oc(C)c(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1C 21133615 USFKTCIRMKUFMI-UHFFFAOYSA-N 354.414 1.844 0 40 FDAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)no1 32771295 XFVQVYIRVXTRHV-AWEZNQCLSA-N 371.440 1.156 0 40 FDAB CCCn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)n1 665177 FMIIILQFUYMCBZ-UHFFFAOYSA-N 354.823 1.872 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCOC(C)C 23177887 YBANJJNSBKIATI-KRWDZBQOSA-N 368.499 1.694 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 23427896 SEUHGGIOEYEMND-IRXDYDNUSA-N 355.438 1.580 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23652460 MZOJMUKCRCGVSW-UHFFFAOYSA-N 360.464 1.776 0 40 FDAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 3453328 BTGPTWGKXXKXMQ-GFCCVEGCSA-N 367.471 1.208 0 40 FDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(-n2cnnn2)cc1 23736217 IVXGHJOITQLVAZ-UHFFFAOYSA-N 370.457 1.427 0 40 FDAB Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1 23703036 OPEPSNJYPIMPHA-UHFFFAOYSA-N 356.382 1.869 0 40 FDAB CC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3nc(C)cs3)CC2)C1 55759808 OMTDXAIXGASUEV-OAHLLOKOSA-N 350.488 1.749 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c(=S)n1-c1ccc(F)cc1 12533643 PUTMISZREGTJIX-JTQLQIEISA-N 355.416 1.591 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 107226396 JPQHSHSMVWSEBF-CRAIPNDOSA-N 374.466 1.819 0 40 FDAB COC(=O)CC1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 71279085 BBDLDCAMVBOVJX-UHFFFAOYSA-N 359.382 1.305 0 40 FDAB CNc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9937816 KNRYZHITRWESRY-LBPRGKRZSA-N 355.398 1.302 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 48235057 TUAJRJHLYPORPI-SNVBAGLBSA-N 351.384 1.408 0 40 FDAB COc1ccc(OCc2noc(CSc3nc(N)nc(N)n3)n2)cc1 10214083 QSJFZZYDOHIKDP-UHFFFAOYSA-N 361.387 1.299 0 40 FDAB Cc1csc([C@@](O)(CC(=O)N[C@H](C)Cn2cccn2)C(F)(F)F)n1 58226878 IEKDCUZZQWFEKQ-RNCFNFMXSA-N 362.377 1.993 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2oc1=O 2125302 WEUXSLKVLVJEJE-UHFFFAOYSA-N 358.394 1.513 0 40 FDAB biogenic COc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12767445 DGHCOOLLGAFJKG-UHFFFAOYSA-N 367.405 1.956 0 40 FDAB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(Cc2ccco2)C1 28428012 OPRWGKJHFIYRAB-AWEZNQCLSA-N 356.378 1.716 0 40 FDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2OC)CC1=O 95390021 JFHOXNUBGJPQHC-IRXDYDNUSA-N 360.454 1.724 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2ccccc2Cl)CC1 36615514 SMGHLUROTFYZJU-UHFFFAOYSA-N 362.817 1.730 0 40 FDAB COC(=O)C1CCN(CCCNS(=O)(=O)c2cc(C)sc2C)CC1 95350322 FCIBOQRFVVPAHB-UHFFFAOYSA-N 374.528 1.918 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1 58210921 AQLBEPWUQSIHKC-ZIAGYGMSSA-N 369.487 1.423 0 40 FDAB CCOC(=O)c1ccc(O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 11672473 KSRVTFXHMOHZQN-GXTWGEPZSA-N 369.439 1.276 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)ccc1Cl 102203621 UYDPARPIQSFIMZ-JURCDPSOSA-N 364.785 1.221 0 40 FDAB CCN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(C)(=O)=O 10008639 ACMXSEOYTGTJKM-UHFFFAOYSA-N 361.423 1.824 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)no1 3477698 LPTCLTJACSQMMS-QGZVFWFLSA-N 356.338 1.151 0 40 FDAB Cc1cc2oc(=O)cc(COC(=O)CCN3C(=O)CCC3=O)c2cc1C 12957600 OQDCTGGUZUKBHS-UHFFFAOYSA-N 357.362 1.992 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCC(C)CC1 13032860 FNSNSLQNVLIMEN-UHFFFAOYSA-N 370.471 1.794 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 38745299 JJAXIJNSBFOMPS-CYBMUJFWSA-N 372.874 1.294 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cc2c(C)c3ccc(O)cc3oc2=O)CC1 13628311 AJQJOUPBPDWZFF-UHFFFAOYSA-N 374.393 1.650 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)c1ccccc1 95480331 BTVDMWLOEZFUID-AWEZNQCLSA-N 362.389 1.915 0 40 FDAB CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCCC1=O)C(F)(F)F 4315852 YQRHOYCMBWOFHL-OAHLLOKOSA-N 358.316 1.861 0 40 FDAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 9365630 DKEZVAOETDSKMN-QGZVFWFLSA-N 352.435 1.502 0 40 FDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 4400809 OSNYMZNYHUTMQM-KRWDZBQOSA-N 356.378 1.841 0 40 FDAB O=C1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2O1 6721403 RJHOKNYIBPKJNH-UHFFFAOYSA-N 369.396 1.900 0 40 FDAB CCCN(C(=O)CSc1nnc(C)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 6879115 OMBLAEUCDATPPW-CYBMUJFWSA-N 372.516 1.439 0 40 FDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(c2ccccn2)CC1 9547123 FZHYAEACZDNGGS-MRXNPFEDSA-N 352.442 1.437 0 40 FDAB COCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)n[nH]c1=O 7347663 IHBYNWRQVKYHTE-UHFFFAOYSA-N 366.443 1.730 0 40 FDAB CN(C)C(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 7372833 UWQJONDGRCZXIT-UHFFFAOYSA-N 357.501 1.827 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 408610815 WAJISHMRRFFZOU-GXTWGEPZSA-N 356.444 1.047 0 40 FDAB Cc1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)n1C1CC1 7533706 HSTYNIHQIBNFNW-UHFFFAOYSA-N 358.471 1.757 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)NCc3cccs3)n2N)n1 7530545 JYFYTMATNZKKDR-UHFFFAOYSA-N 363.472 1.264 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nccn1C)n2CC 8068158 GLENAKMOULWQRW-UHFFFAOYSA-N 362.459 1.732 0 40 FDAB O=C(NN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8138279 RJZDCCBOXGZAOL-UHFFFAOYSA-N 369.462 1.744 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(Cl)cc1 8391063 WBRBGERIVKXBDE-GFCCVEGCSA-N 353.831 1.999 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nc(-c2cccnc2)cs1 8775979 HRDTYJVDNRXGLV-UHFFFAOYSA-N 364.390 1.949 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 8981320 XBNXNXVJXZSRKA-LBPRGKRZSA-N 355.847 1.630 0 40 FDAB CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CCN1C[C@@H](C)O 95962146 JFEZKAHGFPARER-QZSNXIIRSA-N 352.500 1.482 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(=O)[nH]1 89610876 UJKUFJNENWXNBU-HNNXBMFYSA-N 369.421 1.483 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCO3)CC1 24381649 CGRYBAKFFZCDGP-UHFFFAOYSA-N 368.455 1.136 0 40 FDAB CCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 39985841 OIZGMZFTZICFSO-CYBMUJFWSA-N 356.444 1.001 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)cc1 409305766 OBCUXUCCZMJTDA-OLMMMNRUSA-N 357.362 1.461 0 40 FDAB CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)Nc1ccccc1)N2C 35442480 JRGLWEVLRRWABN-SCTDSRPQSA-N 358.486 1.687 0 40 FDAB biogenic,in-vitro Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)C1 517918850 VJZDNDVYKROQOV-APWQULEDSA-N 355.482 1.895 0 40 FDAB O=C(c1cnn2cccnc12)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 72337344 LYAFCZKDCSAHCO-ZHZUQJFRSA-N 367.384 1.918 0 40 FDAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCN(C)C)cc1 225843518 ANDUSUBTVMSHSB-LGMDPLHJSA-N 357.410 1.737 0 40 FDAB C[C@H]1CN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC[S@](=O)C1 574282428 WEDDWDQOBOSWPH-MQNRADLISA-N 360.483 1.825 0 40 FDAB CCN(C(=O)Cn1cnc2c1C[C@H](C)[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 428188981 GIPGFXQSLKUPBV-IHRRRGAJSA-N 353.488 1.290 0 40 FDAB Cc1ccc(NC(=O)c2ccc3nc[nH]c3n2)cc1C(=O)N1CCOCC1 577456839 QEAJMSLJDGYOCO-UHFFFAOYSA-N 365.393 1.991 0 40 FDAB Nc1nc(CCC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)cs1 97642305 UQXYGJXSAAAAHZ-INIZCTEOSA-N 354.439 1.950 0 40 FDAB COc1cccc(S(=O)(=O)N2CCC[C@@]3(CN(C(C)=O)CCO3)C2)c1 96157149 AHWWHWCQLCDMPE-QGZVFWFLSA-N 368.455 1.097 0 40 FDAB Cc1ccc(N2C[C@@]3(COCCN(C(=O)N(C)C)C3)OCC2=O)s1 96240232 VCMKLFXXHAXLFJ-INIZCTEOSA-N 353.444 1.172 0 40 FDAB Cc1oncc1C(=O)N1CCO[C@]2(COCCN(c3cccnc3)C2)C1 96229471 OVCBGBQMWVWMCI-SFHVURJKSA-N 358.398 1.126 0 40 FDAB O=C(c1ccncc1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 247893724 ZIFDRHVJEOFNIN-OAHLLOKOSA-N 373.434 1.185 0 40 FDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCCN)C2)c2cnccc2n1 257339812 ZDIHQZLEPYOQRT-FQEVSTJZSA-N 371.485 1.467 0 40 FDAB CNc1cnc(C[C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)CC2)cn1 257230023 GAKVBICJAVAIDT-GFCCVEGCSA-N 350.448 1.275 0 40 FDAB CCn1nccc1-c1cncc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257319229 VRKBPZXGKRWMJU-HNNXBMFYSA-N 350.448 1.303 0 40 FDAB O=C(N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccn1 257201397 AHNNNTFHVPHMIT-GTAWCEEGSA-N 367.449 1.123 0 40 FDAB C[C@@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C[C@@H]1n1ccnc1 268361141 HCZAONMFSQOTMU-CJNGLKHVSA-N 367.409 1.408 0 40 FDAB CCN(C(=O)CS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 264271847 NLGADCDAEWNZDO-CQSZACIVSA-N 373.496 1.113 0 40 FDAB CN1CCN(C(=O)CNC(=O)c2ccccc2Oc2ccccc2)CC1 1305896760 ZLOHLRKRNXXHGO-UHFFFAOYSA-N 353.422 1.983 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)N(C)c2cc(OC)ccn2)[C@H]1c1ccnn1C 606445776 KYHGZPHNZUFAPS-KSSFIOAISA-N 371.441 1.786 0 40 FDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cn1 600171856 SVHLSBPVJOPSRN-CYBMUJFWSA-N 354.414 1.387 0 40 FDAB Cn1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c(Cl)c2ccccc21 643432634 WRAFTCTWZZLIEP-LLVKDONJSA-N 370.814 1.156 0 40 FDAB CCn1cnnc1CNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644311961 YDVQNWPMGCDIPT-LJQANCHMSA-N 357.458 1.331 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCc2ccccc2F)C[C@@]2(CCO[C@@H]2C)O1 656975176 HDVOWBJVFRATNC-CKEIUWERSA-N 357.447 1.966 0 40 FDAB Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cnn2c1OCCC2 603416837 BJDHRKJSQFPKTF-QHCPKHFHSA-N 369.468 1.653 0 40 FDAB O=C(O)c1ccccc1C1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 666551889 KMRHMBBMQJCLDY-AWEZNQCLSA-N 359.426 1.800 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1c(C)oc2ccccc12 661032627 XKQXZTDTBJFGEV-GDBMZVCRSA-N 366.439 1.395 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCN(C(=O)C2CC(O)C2)C[C@H]1Cc1ccccc1 585113453 JAAGJNPWAQKGOT-JWHDQAAXSA-N 374.481 1.322 0 40 FDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1cccc(Cl)c1 585284560 YHGSDFSZYNXZOE-WMZOPIPTSA-N 355.862 1.822 0 40 FDAB C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 29681434 ALQLTUSRFQHIBL-RYUDHWBXSA-N 369.462 1.627 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 5351225 ZRSUSFADMZKWGR-NICOCVAXSA-N 355.438 1.842 0 40 FDAB COc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCCC2)C3)c1 12113449 PCSRGOAGAYRNRH-SFHVURJKSA-N 370.453 1.631 0 40 FDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccs1 14706610 RWPYBIHSGJLBSB-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB NC(=O)Cc1csc(NC(=O)[C@H]2CC(c3ccccc3Cl)=NO2)n1 19662447 NXEKGRHVYDIJPU-GFCCVEGCSA-N 364.814 1.956 0 40 FDAB Cc1cc(C)nc(N2CCC(CC(=O)N3CCNC(=O)C3(C)C)CC2)n1 19748870 YOUBKEKOOOMBDY-UHFFFAOYSA-N 359.474 1.437 0 40 FDAB Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCN(C)CC2)n1 19960289 OAWRYCLBCKMQQK-UHFFFAOYSA-N 353.474 1.984 0 40 FDAB COC1=C(OC)/C(=C/[C@@H]2CCC=C[C@@]23OC(=O)C(OC)=C3OC)OC1=O 13398512 ZOUXPJZALDSSRK-ZMUYBBFGSA-N 364.350 1.698 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1 20012873 CQBMULGUMJBGLJ-UHFFFAOYSA-N 350.415 1.904 0 40 FDAB O=C(c1cn[nH]c1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888843539 PEACLJCIYJXNKA-QWRGUYRKSA-N 352.320 1.427 0 40 FDAB Cc1nsc(N2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)n1 1888866644 WDNINNYIEYATLK-GJZGRUSLSA-N 364.496 1.745 0 40 FDAB O=C([C@H]1CCCCO1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888867023 ZZYRESOXURIDJJ-UKRRQHHQSA-N 371.441 1.798 0 40 FDAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3csc4ncnn34)cc2)C1 245171650 XOJNCEBTABBOIR-OAHLLOKOSA-N 357.439 1.946 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)cn1 2056223418 KMFGASUDXFCKGT-CALCHBBNSA-N 369.469 1.808 0 40 FDAB Cc1ncnc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)c1C 2056224603 YPWVEEBCFIBHDO-MRXNPFEDSA-N 369.494 1.978 0 40 FDAB COc1ccnc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)n1 2087026207 HZIMHHQPHSOLID-UHFFFAOYSA-N 352.402 1.002 0 40 FDAB COC1(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CCC1 1565547394 QSQCJDCZCNSBNP-UHFFFAOYSA-N 362.474 1.059 0 40 FDAB O=C(c1csnn1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565554937 LILPKPAAAVKEDN-CWRNSKLLSA-N 360.439 1.770 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2[C@@H]1C 8724567 ZGXARTNQLWAMCJ-CYBMUJFWSA-N 366.425 1.640 0 40 FDAB COc1ccc(C)c2sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 17026784 LMBOCAUSBLTIEA-JTQLQIEISA-N 369.468 1.976 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974441 GTPLVVVIPDPBIU-UHFFFAOYSA-N 352.394 1.749 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1-n1cnnn1 100220919 GFBDKURKSRSNIN-JHJVBQTASA-N 363.443 1.385 0 40 FDAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 575610299 HPWMLDIMNLKTBR-UHFFFAOYSA-N 374.408 1.501 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 40079661 QATGFCWKKRJESC-QGZVFWFLSA-N 359.470 1.596 0 40 FDAB Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)o1 40156809 SFIRIZFKAGXWTR-UHFFFAOYSA-N 365.430 1.706 0 40 FDAB COCc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)c1 40105404 QUIVAOKCGGIIRV-UHFFFAOYSA-N 354.453 1.514 0 40 FDAB O=c1cnc2ccccc2n1C[C@H](O)COCc1ccc2c(c1)OCO2 31560579 BNUHWMOONGYRRV-AWEZNQCLSA-N 354.362 1.703 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898278 HPARYEPYEFZRGZ-UHFFFAOYSA-N 354.472 1.381 0 40 FDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CCN(C(C)=O)CC1 32740460 MQRITEOOHULODW-AWEZNQCLSA-N 367.471 1.258 0 40 FDAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2NCCCn1ccnc1 41104824 BAAMOGSXCVHKQO-INIZCTEOSA-N 357.458 1.906 0 40 FDAB O=C(NC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 41417772 JBKNRYSEQIWHDU-LLVKDONJSA-N 357.288 1.683 0 40 FDAB CN[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 53203069 CMQUDRIAKCDTTN-LLVKDONJSA-N 363.277 1.830 0 40 FDAB COc1ccccc1Oc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 9058008 YRWPFZRBKYSNBW-UHFFFAOYSA-N 367.361 1.976 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)c1cnc2ccccc2n1)C(C)C 1703485 KCGVZEMKIYGFGP-ABAIWWIYSA-N 358.398 1.062 0 40 FDAB CCc1nnc(NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)s1 79110551 JYODEFAOAUHNCF-UHFFFAOYSA-N 361.427 1.796 0 40 FDAB Cc1cc(C)n2nc(S(=O)(=O)NCc3ccc(Cl)cc3)nc2n1 1066569 BFXBSLZYEBWVHB-UHFFFAOYSA-N 351.819 1.873 0 40 FDAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1 4981703 ARANZWZRHCRJBD-UHFFFAOYSA-N 364.340 1.755 0 40 FDAB CCn1c(SCC(=O)NC(=O)NCCOC)nc2ccsc2c1=O 24829278 ZOOLSIAXZJYUEI-UHFFFAOYSA-N 370.456 1.042 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)no1 8410828 KVWQMOXHRBRWGR-UHFFFAOYSA-N 357.322 1.432 0 40 FDAB NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 27915245 YPRWLRNYNNWDLI-UHFFFAOYSA-N 366.370 1.278 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 26559989 ZHFOFCDHRHPETF-LJQANCHMSA-N 368.441 1.929 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 3221876 TYJPOAFWJMXLOZ-RXMQYKEDSA-N 361.210 1.884 0 40 FDAB O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 44578615 IAPUYGCNHKSABC-DOTOQJQBSA-N 372.446 1.917 0 40 FDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCOCC2)C1=O 57947383 HNOILXGULYGNEQ-UHFFFAOYSA-N 367.789 1.388 0 40 FDAB O=S(=O)(c1c(Cl)nc2ccccn12)N1CCC(n2cncn2)CC1 58157486 SURHQPAPCPFUAS-UHFFFAOYSA-N 366.834 1.605 0 40 FDAB COc1ccc(C(=O)COC2=C(O)C(=O)O[C@H]2[C@@H]2COC(C)(C)O2)cc1 20445726 UDWAYAMTSKEKEI-ZFWWWQNUSA-N 364.350 1.741 0 40 FDAB COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 22074686 DTWJSAONRDIVOO-UHFFFAOYSA-N 350.440 1.684 0 40 FDAB CCCCc1noc(CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 58202678 NTYSTAUNTJZMHJ-MRXNPFEDSA-N 363.506 1.931 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc4nccnc4n3)CC2)C1 58232007 DOXJAUUKWZMLRS-IYBDPMFKSA-N 368.485 1.651 0 40 FDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCc4ccccc43)cnc21 12735030 ZZMCOGYOWGHBAP-HNNXBMFYSA-N 350.378 1.522 0 40 FDAB CCOc1ncccc1C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 3355111 IPOCUCLVXJWKSC-CYBMUJFWSA-N 364.423 1.903 0 40 FDAB COc1cccc(CN[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 58165422 HEGDUYWYDDOXGV-GFCCVEGCSA-N 363.439 1.459 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 48341734 MFHWPCGMFCJERI-LSDHHAIUSA-N 359.426 1.777 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccccc2COC)CC1 46032579 SUXBPFSZERVKDM-OAHLLOKOSA-N 362.474 1.897 0 40 FDAB Cc1cc(C(=O)NCCCN2CCCCC2)ccc1NS(C)(=O)=O 10112049 ZUAIWRHPJCPSKY-UHFFFAOYSA-N 353.488 1.972 0 40 FDAB C[C@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12815390 WYCSWHFLJXFEJD-CYBMUJFWSA-N 352.456 1.578 0 40 FDAB O=C(Nc1ccc(F)cc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12914408 RQFNCDOIBXFKGY-JTQLQIEISA-N 371.365 1.069 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 24353554 USLRPIGBUXANLQ-CYBMUJFWSA-N 363.391 1.592 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CN(c2ncccn2)Cc2ccnn2C1 306127053 FMZMNXNNQNZNOV-AWEZNQCLSA-N 351.414 1.078 0 40 FDAB CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 4098261 AUGQEEXBDZWUJY-ZLJUKNTDSA-N 366.410 1.125 0 40 FDAB in-vitro COCCNC(=O)c1cc(=O)c(OCc2ccccc2Cl)cn1C 49545779 ODXSNZLIJVDZCW-UHFFFAOYSA-N 350.802 1.994 0 40 FDAB O=C(CCCc1nc(-c2cccs2)no1)N1CCN(CCO)CC1 97293634 KIEOMPWWWOXJLT-UHFFFAOYSA-N 350.444 1.257 0 40 FDAB O=C(O)c1ccc(CN2C[C@@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3C2)cc1 67897127 ZSSCTXFANCBQTA-MSOLQXFVSA-N 367.405 1.392 0 40 FDAB biogenic,in-vitro O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(nc3ccccn3c2=O)O1 96231954 BYFISESHDJBZCQ-LBPRGKRZSA-N 359.341 1.977 0 40 FDAB Cc1csc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)n1 14018282 GUHXRLRRLBMCIT-UHFFFAOYSA-N 353.469 1.732 0 40 FDAB CCSc1nnc(NC(=O)Cn2nnn(-c3cccs3)c2=O)s1 14076444 VCYMWIIQPAFEAF-UHFFFAOYSA-N 369.457 1.093 0 40 FDAB O=C([C@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1)N1CCCC1 65564992 IRIQZTFTIMZYBR-KUCQQTCKSA-N 352.481 1.984 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 65590723 PKSJBKAQYIUZOO-SFHVURJKSA-N 370.365 1.045 0 40 FDAB C[C@H]1CN([C@@H](C)CNC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 65516823 OYAUMONTXANTFQ-COYYTBTLSA-N 370.538 1.281 0 40 FDAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCNC1=O 9501808 QEMCCRGJFJXDRQ-IUCAKERBSA-N 357.461 1.161 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1nc(N)nc(N)n1 7315959 UCSCMOLDXBJGNR-ZDUSSCGKSA-N 354.370 1.043 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Br)cc1 17886798 ZHMOMHUTTHUUCX-NSHDSACASA-N 350.176 1.898 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806651 ODHUGLGMTGSEQT-SFDCACGMSA-N 374.528 1.489 0 40 FDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N(C)Cc1ccccc1C 96991336 JRWVCFCDFYYKIE-RQZCQDPDSA-N 362.451 1.933 0 40 FDAB CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N 89977220 UMOKHHPAXBLDAW-HNNXBMFYSA-N 369.535 1.009 0 40 FDAB CN1CCN(c2nnc(SCC(=O)NC3CCCCC3)s2)CC1 23139775 BLATXRKLPAMZGE-UHFFFAOYSA-N 355.533 1.831 0 40 FDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 22409417 BHZHCOXGOGKLDS-LLVKDONJSA-N 352.437 1.474 0 40 FDAB COc1ncccc1CN1CC2(C1)OCC[C@H]2CCNC(=O)N1CCCC1 306133739 MTXYDMOKJAGDSL-QGZVFWFLSA-N 374.485 1.877 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccn(Cc2ccc(C(=O)O)cc2)n1 36617522 GTMGDTPOFBGSIJ-UHFFFAOYSA-N 369.337 1.314 0 40 FDAB CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCOC)C3=O)s1 31809066 RCNXZZRJGJKWJV-UHFFFAOYSA-N 360.395 1.595 0 40 FDAB COc1ccc(CN2C[C@H]3CN(Cc4nccn4C)CCN3C2=O)cc1 85436195 UQLFUHXUOUYPHR-MRXNPFEDSA-N 355.442 1.551 0 40 FDAB biogenic,in-vitro O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc(F)cc1 49546107 SWWIEFNKRAXSID-UHFFFAOYSA-N 362.357 1.629 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 223279091 RAIBIRRIAIZHPD-UHFFFAOYSA-N 364.423 1.299 0 40 FDAB CCOc1cc([C@H](C2=C(O)NC(=S)N[C@H]2O)n2ccnc2)ccc1O 223812498 LCEJYIXOGJTQTF-KGLIPLIRSA-N 362.411 1.143 0 40 FDAB CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccc[nH]1)CC2 96199882 GGQYPVJYRNDCBV-HNNXBMFYSA-N 355.442 1.759 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96049403 JWBCCRINZXZHMN-UHFFFAOYSA-N 351.410 1.669 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CCN(c1ncc(F)cn1)CC2 96083808 PRADSWKAUUWFFJ-UHFFFAOYSA-N 357.437 1.677 0 40 FDAB COc1cc2nc(C)n(CCNC(=O)[C@H]3CCCO3)c(=O)c2cc1OC 95473648 GPNMDRHUSCONFD-CQSZACIVSA-N 361.398 1.017 0 40 FDAB O=C1COC2(CCN(C(=O)c3ccncc3)CC2)CN1Cc1ccccn1 96049216 KWAAMRYNDMBBLD-UHFFFAOYSA-N 366.421 1.510 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC2CCC2)C1 96253111 DQCPYLLRALASGA-OWCLPIDISA-N 364.467 1.442 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(C4CCOCC4)C3)N2C1 514289486 MKFXZIZFICAIKJ-VQTJNVASSA-N 357.498 1.171 0 40 FDAB biogenic,in-vitro CN(CCO)C[C@@H]1COCCN1C(=O)COc1ccc2ccccc2c1 85469932 HXCVHBYFGYYZDI-GOSISDBHSA-N 358.438 1.370 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(C(=O)c4ccccn4)C3)ccnc12 257308040 TVEGIEOSNGOCPV-CYBMUJFWSA-N 364.409 1.456 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCCCn1ccc2cccnc21 96353303 BTSXAGLYUOYLJU-UHFFFAOYSA-N 361.405 1.953 0 40 FDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)N1CCN(c2cnn(C)c2)CC1 1615549989 IMHFXEQUCQKBDP-SJORKVTESA-N 355.442 1.816 0 40 FDAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)Cc1ccc(OC(F)(F)F)cc1 643855442 AAOMFPIIAMHCSE-LLVKDONJSA-N 370.287 1.215 0 40 FDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](OCC3CC3)C2)c1 390830220 JPOPDHBCQPBPAO-INIZCTEOSA-N 366.483 1.691 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(C(=O)c1c[nH]c3ccccc13)C2 575405785 IWFIQCRHXSGZKG-CQSZACIVSA-N 371.437 1.646 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)n1 585112746 UYCQJPXOQBDPEL-GOSISDBHSA-N 354.458 1.949 0 40 FDAB Cc1ccc(O)c(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@@H](O)C2)C3)c1 585104884 VUMHVHUNBSNWON-SJORKVTESA-N 374.481 1.779 0 40 FDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2COc2ccccn2)no1 585094634 GIVIZOITCGXMEF-ZDUSSCGKSA-N 353.382 1.758 0 40 FDAB O=C(NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)c1cnccn1 585112420 PJJXKDPBLDRYSC-INIZCTEOSA-N 363.425 1.445 0 40 FDAB CC[C@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O 49180800 VDRDRMCAECTSGB-APPDUMDISA-N 353.371 1.055 0 40 FDAB biogenic,in-vitro Cc1cc(F)ccc1C[C@@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)O)C1 656716079 FTQUEVKPDABZBR-OCCSQVGLSA-N 358.435 1.696 0 40 FDAB CN(C[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1)S(C)(=O)=O 585084531 OPTOQXODOFJHET-ZDUSSCGKSA-N 352.460 1.773 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccccc2F)NC(=O)N[C@@H]1C 5078909 JMFVYEJZJZUHHX-ANYFNZRUSA-N 362.357 1.901 0 40 FDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCCc3ccccc3)n2)o1 12182648 VRLLYBPDSIPVOV-UHFFFAOYSA-N 352.394 1.753 0 40 FDAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(O)ccc3OC(=O)[C@H]12 12661465 NWVNEIDOXFMQFU-OYNCUSHFSA-N 351.361 1.368 0 40 FDAB biogenic Cc1cc(C)cc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)c1 13646666 YHRJBZALQRETGH-UHFFFAOYSA-N 367.515 1.672 0 40 FDAB O=C1C[C@@H](c2ccccc2)N2N=C(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)NC2=N1 16955713 AWJLXRXORKHPHU-IHRRRGAJSA-N 365.393 1.365 0 40 FDAB CN(CC1(C)COC1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 19654841 WONPZGPWSJEGPL-CYBMUJFWSA-N 360.410 1.306 0 40 FDAB CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCNc3ccccn3)cc2C1 19749646 HFFCJMYNDJJYHD-MRXNPFEDSA-N 374.466 1.075 0 40 FDAB OC[C@H]1O[C@@H](Oc2ccc(Cl)cc2C2CCCC2)[C@@H](O)[C@H](O)[C@H]1O 106382227 OIPLGSGCPWWFRT-BPKGMFCQSA-N 358.818 1.176 0 40 FDAB O=C(CSc1nnc2n1CCN2c1ccccc1)NC[C@@H]1CCCO1 9651483 STPFMUVJGYARLZ-AWEZNQCLSA-N 359.455 1.817 0 40 FDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)CC2 238812137 AOHATPAUCJGOQC-AWEZNQCLSA-N 370.428 1.373 0 40 FDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2nccc3ccccc23)Cc2cn(C)nc21 19701345 UJCSQKFUHLLHEJ-MRXNPFEDSA-N 363.421 1.796 0 40 FDAB Cc1ccc(N2C[C@H]3CN(c4ncc(Br)cn4)C[C@H]3C2)nn1 1888853828 CKCCGFZYPYCNCM-TXEJJXNPSA-N 361.247 1.910 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(c5nc(C)c(F)c(O)n5)C[C@@H]4C3)n1)CCC2 1888866860 JZXAACDPLDFKJX-STQMWFEESA-N 370.432 1.789 0 40 FDAB CC(C)n1c(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)nc2ccccc21 1888904132 XXYGBWGZVARCPB-ZIAGYGMSSA-N 365.441 1.944 0 40 FDAB CCN(CC)C(=O)CN(C)C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 23800389 GIHAKJBWMRZYKT-BQYQJAHWSA-N 362.426 1.806 0 40 FDAB O=C(CN1CCCCC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037840421 MGZKMETXJFFQDO-UHFFFAOYSA-N 371.481 1.897 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)CC1 1614934972 YZHZQZGXZUXYMU-LAGYLCCXSA-N 364.486 1.679 0 40 FDAB O=C(c1csnn1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 1565549308 UMHHOCPKIXWRDY-HNNXBMFYSA-N 365.484 1.754 0 40 FDAB COC(=O)c1ccccc1N(C)C(=O)c1cc2cccnc2n(C)c1=O 5303598 FANNMPJCNQKBKN-UHFFFAOYSA-N 351.362 1.997 0 40 FDAB O=C(NCc1nnnn1-c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 9571057 RVBFROLNSRYVCB-UHFFFAOYSA-N 364.340 1.782 0 40 FDAB CCCc1cnc2c(c1S[C@@H](C)C(=O)OCC)c(=O)n(C)c(=O)n2C 10216843 MUNKBIVNMISQTG-JTQLQIEISA-N 365.455 1.628 0 40 FDAB COCCN1CCOC[C@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 2055815392 GCIBPCQHFFLZAQ-SFHVURJKSA-N 368.861 1.530 0 40 FDAB O=C(CN1CCO[C@H](C(=O)N2CCSCC2)C1)Nc1ccc(F)cc1 2086867353 NMFFBVIYVGBJJL-HNNXBMFYSA-N 367.446 1.040 0 40 FDAB CS(=O)(=O)NCC1CCC(C(=O)Nc2cccc3nsnc23)CC1 42381360 NVTVUWKEAQEYOQ-UHFFFAOYSA-N 368.484 1.985 0 40 FDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1Cc2cc(F)ccc2O1 76961367 KSCIRHYXSUXVSH-SJLPKXTDSA-N 366.458 1.453 0 40 FDAB NC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 40009944 IQMZOOQUWUPYHZ-GFCCVEGCSA-N 358.423 1.158 0 40 FDAB Cn1c(N)c(CN2CCC(c3nc4ccccc4o3)CC2)c(=O)n(C)c1=O 33034018 AZBAWXHLSZZVKZ-UHFFFAOYSA-N 369.425 1.187 0 40 FDAB Cc1cccc(N2CCN(C(=O)CN(C)Cc3nnc(C)n3C)CC2)c1C 103558218 SRUTVYUIUIUEAP-UHFFFAOYSA-N 370.501 1.521 0 40 FDAB COc1ccccc1OC[C@@H](O)CN1CCCN(c2ncccn2)CC1 61721208 GJUNVTIHRHHSHZ-INIZCTEOSA-N 358.442 1.437 0 40 FDAB Cc1ccccc1CNC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 24034514 SSMKKAOVCZPDRT-KRWDZBQOSA-N 351.406 1.774 0 40 FDAB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1OC 12591369 VQVKQFRRTNOQJW-TXEJJXNPSA-N 367.398 1.505 0 40 FDAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 24368006 KYTCOSVEWQBGIW-GFCCVEGCSA-N 366.464 1.864 0 40 FDAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1C 4720912 LUAJMPQKLHGVMY-PSWRPDDJSA-N 374.477 1.488 0 40 FDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 4971424 NXJWCZHRJUWACQ-CQSZACIVSA-N 350.440 1.443 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC1CCCCC1 6989102 CIGKXEYZDNSAKH-UHFFFAOYSA-N 370.471 1.812 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(N2CCCC2=O)cc1 25114864 GSOHYRUWGDEAEL-GFCCVEGCSA-N 361.398 1.133 0 40 FDAB O=C(c1ccccn1)N1CC[C@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745126 FAKPHSFTAZQVLI-LBPRGKRZSA-N 363.377 1.975 0 40 FDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3ccccc3F)s2)cc1 1405172 VGXQXDOIBFERMO-JZJYNLBNSA-N 372.381 1.922 0 40 FDAB C[C@@H](Sc1ncc2ccccn12)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 26591817 PZQJWDOBSWXHBB-YPMHNXCESA-N 353.469 1.460 0 40 FDAB O=C(CN1CSCC1=O)Nc1cc2c(cc1Br)OCCO2 9722365 GXRDMYCCVOKLRD-UHFFFAOYSA-N 373.228 1.692 0 40 FDAB CCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(C)cc2)CC1 12650741 WIYVZRSDQXDDBM-UHFFFAOYSA-N 353.488 1.170 0 40 FDAB CCc1nnsc1C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58181001 LIHPKHXXHCCAMK-UHFFFAOYSA-N 373.482 1.569 0 40 FDAB COc1ncccc1NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 44893799 RJCLMVRDAPUTBK-UHFFFAOYSA-N 368.437 1.810 0 40 FDAB Cc1nc(C)c(CCC(=O)NCCc2ccc(-n3cccn3)cc2)c(=O)[nH]1 10222840 XGHABVCZPRJHDX-UHFFFAOYSA-N 365.437 1.864 0 40 FDAB CCN(CC)C(=O)CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 58282133 ITTUYTFYOXNHFZ-CYBMUJFWSA-N 367.393 1.576 0 40 FDAB COc1ccccc1-c1noc(Cn2nnn(-c3cccs3)c2=O)n1 10814877 PRSKOCJEYPTTKA-UHFFFAOYSA-N 356.367 1.597 0 40 FDAB CNC(=O)CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C 45600326 BVEYOVVGVZGFAX-UHFFFAOYSA-N 351.403 1.164 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)N2CCCCC2)s1 36795032 JRSWAJONDCGOBH-UHFFFAOYSA-N 374.484 1.009 0 40 FDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cnn(-c2ccccc2)n1 11555794 KRQQGYFIGVDRRO-UHFFFAOYSA-N 365.393 1.895 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 20204110 KNOCULMLCYXLKH-GFCCVEGCSA-N 352.412 1.299 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3ccccc3c1=O)OCO2 3486585 FCBXKZPTFDHKQI-UHFFFAOYSA-N 365.345 1.967 0 40 FDAB CCOC(=O)c1sc(NC(=O)COc2coc(C)cc2=O)nc1C 71289014 PLGZUKGYAHHBLU-UHFFFAOYSA-N 352.368 1.907 0 40 FDAB C[C@@H](O)c1ccc(CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 65536927 XFXWOYPVDHQXOF-ACJLOTCBSA-N 366.421 1.476 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN(C)c2cnccn2)cc1 65552804 XEFLFCYBRHCOSY-INIZCTEOSA-N 369.425 1.551 0 40 FDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)COc1ccc(OC)cc1 65575559 KGBKAQJJEOLKEQ-HNNXBMFYSA-N 352.456 1.844 0 40 FDAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2N)cc1 95464680 KJZQRXKHLULPTC-MDZDMXLPSA-N 367.452 1.637 0 40 FDAB Cn1c(=O)c2sccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O 6679670 FEMXXCACAFWFPO-UHFFFAOYSA-N 363.826 1.732 0 40 FDAB Cc1ccc(C)c(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1 4938026 SEKCMZQPHSDQNR-UHFFFAOYSA-N 364.471 1.472 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1nc2ccccc2[nH]1 96345247 UVEAIUPZQVOKPF-UHFFFAOYSA-N 365.437 1.747 0 40 FDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl 8064610 RQHSNJDZTBNUKK-LBPRGKRZSA-N 365.282 1.729 0 40 FDAB Cc1cc(C)n(-c2ccc(NCCNC(=O)COc3ccccc3)nn2)n1 19924260 JRWNLSRCBGKAHX-UHFFFAOYSA-N 366.425 1.886 0 40 FDAB COCCn1c(-c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 8719836 WOVDXCFPNVBIOT-UHFFFAOYSA-N 360.389 1.995 0 40 FDAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 18516513 UFMQMSCJFBOFCQ-VIFPVBQESA-N 351.384 1.565 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CNCCCN2CCOCC2)c1C 25325726 JDXPOCGRNSUEOH-UHFFFAOYSA-N 351.447 1.303 0 40 FDAB COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](O)c2cccnc2)c1C 84007943 FQYOYYIJJXWSSE-CQSZACIVSA-N 361.398 1.293 0 40 FDAB COC(COCCNc1nn2c(C(F)(F)F)nnc2c(C)c1C)OC 97104036 LBKFDSANQUJAQU-UHFFFAOYSA-N 363.340 1.807 0 40 FDAB COC[C@](C)(O)CNC(=O)c1nnn(-c2cccc3cccnc23)c1C 72304506 XHKMZECHRHOUCH-GOSISDBHSA-N 355.398 1.251 0 40 FDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1c(F)cccc1Br 95976440 AZSNDVBVXSNIKJ-NSHDSACASA-N 370.178 1.825 0 40 FDAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)OC2=O)c(OC)c1OC 89917864 HJVQKPYQXQSBMA-LBPRGKRZSA-N 351.399 1.855 0 40 FDAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2-c2nnnn2C)c2ccccc21 1545074662 FUKUNDHJXPAIEN-CQSZACIVSA-N 362.393 1.966 0 40 FDAB Cn1nccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccn1 72343173 BLPKCZVTYXMJJU-UUVAVEHKSA-N 358.467 1.948 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(N)CO)cc1 218171364 IJRHAVCJAXLBLA-BZSNNMDCSA-N 361.419 1.353 0 40 FDAB O=C(O[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 62580457 VRCDNZOEYAEMQL-MFKMUULPSA-N 357.815 1.423 0 40 FDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCn3ccnc3)cc2)o1 44901964 NRBPSNDQZSIHIP-UHFFFAOYSA-N 354.370 1.387 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(N2CCCCC2)n1 49410937 ALPIYGWCMPKZQO-UHFFFAOYSA-N 370.409 1.909 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cn1 220872483 SEJKAPDJCAZXLL-CYBMUJFWSA-N 365.397 1.720 0 40 FDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226087994 WCQITHCWEJMIGE-UHFFFAOYSA-N 358.460 1.152 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96043034 ZZWPJHUXVXONEM-BHYGNILZSA-N 353.426 1.514 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2coc(C3CCC3)n2)[C@@H]1c1cncn1C 583620960 QISBBKMWYVADSA-MLGOLLRUSA-N 357.414 1.768 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1cccnc1)C2 96230517 BKBHIHPMQKYPPS-FQEVSTJZSA-N 365.437 1.316 0 40 FDAB CCS(=O)(=O)N1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244553 AFAXDLXJAITWAV-KRWDZBQOSA-N 366.487 1.430 0 40 FDAB Cc1ncsc1CN1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 248042712 PHDXLMUCFINYMK-AWEZNQCLSA-N 356.513 1.867 0 40 FDAB O=C([C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]1O2)N1CCOCC1 247796342 CPIPYSIYNVWBAF-GVDBMIGSSA-N 350.846 1.788 0 40 FDAB COc1ncccc1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 247893238 UHGXASBMTGLUHP-AWEZNQCLSA-N 355.394 1.938 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCc1ccccc1C)C2 248162149 PIBWRSMOSATHBH-KRWDZBQOSA-N 365.495 1.980 0 40 FDAB COc1ccc(CNC(=O)N2CCCN(CCn3cccn3)CC2)cc1 85470478 YUCKUCKOCIBUDJ-UHFFFAOYSA-N 357.458 1.809 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)c1ccc(-c2ccncc2)o1 1615546414 GXVGGXOOHRPUHB-UHFFFAOYSA-N 353.382 1.778 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(O)cc(Br)c1 627844241 KPYFRADKGINCGL-HNNXBMFYSA-N 371.231 1.522 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@H]43)C2)nn1 630197259 MYRMPZXXVZUDHL-ODVANORSSA-N 352.394 1.726 0 40 FDAB Cc1cc(C(=O)N2Cc3nncn3C[C@@H]2C(=O)O)cc(C)c1OC(F)F 643856569 DRZNZBPWHFYTLP-LLVKDONJSA-N 366.324 1.606 0 40 FDAB O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C(F)F)nc1 653893758 JFLXDPBGPMLUMB-NSHDSACASA-N 368.361 1.984 0 40 FDAB COc1cc(NC(=O)CN[C@@H]2C[C@@H](O)C23CCC3)cc(OC)c1OC 661832753 IFVYCBIMPHPLKN-HUUCEWRRSA-N 350.415 1.544 0 40 FDAB NC(=O)[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)Cc1ccc(F)cc1 662407461 CIVICLXDJOQNNN-QAPCUYQASA-N 355.413 1.821 0 40 FDAB Cn1cc(C(=O)N2CC[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)c(C(F)F)n1 585108240 BKFDZOARRZXOIQ-UKRRQHHQSA-N 368.428 1.931 0 40 FDAB CCOCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585096807 BCNSQRCPUZDVNO-AWEZNQCLSA-N 371.441 1.077 0 40 FDAB COc1cccc(O[C@H]2CCN(C(=O)/C=C/c3ccnn3C)CC[C@@H]2O)c1 585289253 GTBZAEFIOBVDSW-FNYRVFDFSA-N 371.437 1.873 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2ccc(Cl)c(F)c2)C1 685940453 ARUJIEBWWUUNPB-GWCFXTLKSA-N 356.781 1.459 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1 68126152 ZAQPGGAFBSDYII-UHFFFAOYSA-N 360.506 1.376 0 40 FDAB CCc1c(C(=O)NCCn2nc3ccccn3c2=O)[nH]c(C)c1C(C)=O 57240897 FUNZSWQXTMGARU-UHFFFAOYSA-N 355.398 1.328 0 40 FDAB Cc1nccc(C(=O)OCC(=O)NCCN2CCCc3ccccc32)n1 61788648 YBOMDCZTWUHFLZ-UHFFFAOYSA-N 354.410 1.511 0 40 FDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 79615522 ZYWTWBOPBWRCSY-KRWDZBQOSA-N 362.449 1.883 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cccc5[nH]ccc45)C3)nn12 585606585 BCIYCDJRHRGXFM-UHFFFAOYSA-N 361.409 1.875 0 40 FDAB COc1ccccc1OCC(=O)NCC1(OCCO)CCSCC1 888107024 JLCRKSGIOIPEFT-UHFFFAOYSA-N 355.456 1.465 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1=COCCO1 5455832 YOWJJGNAIBBEOU-UHFFFAOYSA-N 366.439 1.996 0 40 FDAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc2c(c1)OCCO2 5538864 LOKFXPADYFBKIA-UHFFFAOYSA-N 362.382 1.342 0 40 FDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NCc3ccco3)c(=O)n12 12181914 KJDBVMCPQXLLHA-UHFFFAOYSA-N 366.377 1.876 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCCCOC[C@H]2CCCO2)cc1 17742893 ARDONJKRSPQDKA-CYBMUJFWSA-N 357.432 1.041 0 40 FDAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cnc(N(C)C)nc4)C[C@H]32)nc1 19216036 BDDUFXQCXQYFGU-QKLQHJQFSA-N 353.470 1.976 0 40 FDAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)NC3CC3)CC1)O2 19218793 ZINOEHFYYWKAKR-LJQANCHMSA-N 357.410 1.105 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccco2)cc1 6180733 LYKIAZYJKCGDDO-UHFFFAOYSA-N 373.365 1.540 0 40 FDAB CCn1c(N2C[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)nc2ccccc21 1888890199 GERCYDLKACTYSC-KBPBESRZSA-N 350.426 1.988 0 40 FDAB Cc1cn2nc(C(=O)N3CCN(c4cc(C5CC5)ncn4)CC3)ccc2n1 1888904309 OKBCGTSTDLNXQN-UHFFFAOYSA-N 363.425 1.668 0 40 FDAB O=C1CN(C2CN(c3nc4c(C(F)(F)F)cccc4s3)C2)CCN1 1889108999 JKEZGOJOMGMJAT-UHFFFAOYSA-N 356.373 1.936 0 40 FDAB NC(=O)CCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1 9500990 NYMNWFDTPBWOEF-UHFFFAOYSA-N 360.439 1.163 0 40 FDAB Cc1cc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccccc4)C3)C2)n[nH]1 2056225843 CVCIBVIQAAUTPA-QUCCMNQESA-N 370.453 1.394 0 40 FDAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)[C@@]1(C)CC=CCC1)CC2 1565556002 TUFBVLVYXRCDNU-KUHUBIRLSA-N 360.458 1.437 0 40 FDAB CS(=O)(=O)N1CCO[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]2C1 2055730015 QNWMPJFBLLZHIB-CZUORRHYSA-N 360.426 1.447 0 40 FDAB CN(CC(=O)Nc1nnc(SCc2cccnc2)s1)S(C)(=O)=O 48984872 FNIHLGNFFOIHOH-UHFFFAOYSA-N 373.485 1.055 0 40 FDAB CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 2102367 KIVAZABCMOTWSV-ZDUSSCGKSA-N 365.407 1.672 0 40 FDAB biogenic O=C(NC[C@@]1(O)CCOc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 77100009 RALIITYKFNJVOC-IBGZPJMESA-N 370.361 1.140 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 30583782 DSANIKHGHYCRCE-CQSZACIVSA-N 362.455 1.621 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1 32907992 COTOMTICGCHQCY-UHFFFAOYSA-N 366.270 1.932 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1 22531163 RAZCSQJTLCKXBI-KRWDZBQOSA-N 360.435 1.557 0 40 FDAB O=C(CN1CCN(Cc2csc3ccccc23)CC1)N1CCOCC1 22807592 AULIIAOGTYZDRI-UHFFFAOYSA-N 359.495 1.878 0 40 FDAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(c2ncccn2)C1 54017018 UTGIAGLTJWOQFV-MRXNPFEDSA-N 363.421 1.646 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccccc1N1CCOCC1 12534218 ROUOAHWYZNJAPE-CQSZACIVSA-N 371.489 1.549 0 40 FDAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O 8635410 ANSIROCREGDFPG-MJBXVCDLSA-N 364.471 1.407 0 40 FDAB biogenic,in-vitro O=C(OC[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1 26481069 VACIVYNCXLTWFE-OAHLLOKOSA-N 353.440 1.810 0 40 FDAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)cc1 57428117 RRPRGVNBDBLFLU-UHFFFAOYSA-N 359.407 1.157 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc(F)cc1 1859918 WRJYTUXDHZKWFS-UHFFFAOYSA-N 372.352 1.098 0 40 FDAB COc1ccc(S(=O)(=O)NCCNC(=O)COC2CCCCC2)cc1 44491863 RDZDUJWTBZXSII-UHFFFAOYSA-N 370.471 1.439 0 40 FDAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccccc1C)c(=O)n2C 9571835 WPEVRALEZXDPPH-UHFFFAOYSA-N 368.393 1.441 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100288878 YGTSBWSWLUWAKN-CYRBYOLUSA-N 370.449 1.722 0 40 FDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CCN(CC3CC3)CC2)c1 58160286 CRYZGEDTSVTDTP-AWEZNQCLSA-N 359.474 1.475 0 40 FDAB O=C1N[C@H](c2ccccc2OCC(=O)N2CCCC2)Nc2ncccc21 58140925 DRDNIWRPBUFLIL-GOSISDBHSA-N 352.394 1.937 0 40 FDAB COc1ccc([C@@H]2N=C(N3CCN(C)CC3)Nc3nc(C)cc(=O)n32)cc1 104280014 RPXWDIQHNBQPMZ-QGZVFWFLSA-N 368.441 1.136 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)n(C)n1 10714031 WEUGUTMTAFMKEU-UHFFFAOYSA-N 351.746 1.906 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420313 KNQLHHBPRIXNKV-QOIOWGMHSA-N 374.437 1.760 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@@H]2C)cc1 2497737 ZJRZONWPQBLVMG-AWEZNQCLSA-N 353.444 1.100 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1Cl 10049290 IUACSKBYOGCJTR-UHFFFAOYSA-N 372.816 1.750 0 40 FDAB CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10967992 CMQBGRWEUZAQGC-UHFFFAOYSA-N 358.789 1.422 0 40 FDAB Cc1ncsc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 108527392 OWSKLKIKJGNYOD-KBPBESRZSA-N 357.501 1.219 0 40 FDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)COC)C1=O 2726015 XGGBCYOODOHNDT-DIFFPNOSSA-N 351.378 1.134 0 40 FDAB CCCCCS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C 95454145 ILKVOUPAWOCRJA-UHFFFAOYSA-N 364.508 1.917 0 40 FDAB CCN(CC)CCNC(=O)C(=O)N[C@H]1C(=O)N(C(C)C)c2ccccc21 13625994 WUFXFPLIDYMLTH-MRXNPFEDSA-N 360.458 1.057 0 40 FDAB CCCn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(S(=O)(=O)NC)cc1 65417686 MMRZKTKMLLIPDZ-AWEZNQCLSA-N 362.455 1.984 0 40 FDAB CN(c1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 4682205 XRRMBANOHNNEII-UHFFFAOYSA-N 360.435 1.984 0 40 FDAB O=C(CSc1nc2ccccc2o1)NCCN1C(=O)CSC1=O 5628717 WURFQNPHWLZNSA-UHFFFAOYSA-N 351.409 1.732 0 40 FDAB CC(C)[C@@H](N)C(=O)NC[C@H](CC(=O)NCC(=O)O)c1ccc(Cl)cc1 6759616 HEDDZXICTOEONV-BLLLJJGKSA-N 369.849 1.114 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 6981621 GXGXFAGJKDZFNE-UHFFFAOYSA-N 365.433 1.968 0 40 FDAB C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 15328653 ZDSUWUQUASLZNL-GFCCVEGCSA-N 354.453 1.416 0 40 FDAB CCNC(=O)NC(=O)CNc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 15335388 LHVXPFSPWDKURK-UHFFFAOYSA-N 370.475 1.283 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H](CCSC)NC(N)=O 7274863 CJDNEBMKDQNARW-LLVKDONJSA-N 371.459 1.119 0 40 FDAB CCN(CC)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7364452 WRNIDJZLBIOAEN-UHFFFAOYSA-N 374.466 1.969 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)C1CCC2(CC1)NC(=O)NC2=O 68385886 RIGPVPRBQYRVNW-UHFFFAOYSA-N 369.425 1.229 0 40 FDAB COCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)cc1 8705977 NOAPNUBICFMOOZ-JTQLQIEISA-N 355.354 1.683 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCc1cccc(Cl)c1 8922310 OJALKUDWCARAMR-UHFFFAOYSA-N 357.797 1.702 0 40 FDAB CCCc1c(C(=O)NCCCN2CCN(C)CC2)[nH]c(C)c1C(=O)OC 71945671 VZMMYRFHQZIIQU-UHFFFAOYSA-N 364.490 1.430 0 40 FDAB COCCNC(=O)Cn1cc(NC(=O)c2cc(Cl)c(Cl)n2C)cn1 72295494 DVJCKTGCYUZFLZ-UHFFFAOYSA-N 374.228 1.543 0 40 FDAB CCc1c(O)nc(SCC(=O)Nc2ccc(C(=O)OC)cc2)[nH]c1=O 9907700 AIBLNPOQYAZGIS-UHFFFAOYSA-N 363.395 1.555 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1cnn(C(C)C)c1)CC2 306143277 XXQLVVVYZVPZIG-HNNXBMFYSA-N 374.489 1.542 0 40 FDAB COc1ccc(-c2nnc3n2C2(CCN(C(C)=O)CC2)CN(C)C3)cc1 306141911 WJUFCXKZMPRLLY-UHFFFAOYSA-N 355.442 1.737 0 40 FDAB O=C(NC1CC1)c1ncn2c1-c1nc(NCc3ccco3)ncc1CC2 306129569 IHCDAYCHVJTRCE-UHFFFAOYSA-N 350.382 1.994 0 40 FDAB Cc1cccc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)n1 306127251 FTCMEUXJTILNED-MRXNPFEDSA-N 361.471 1.225 0 40 FDAB CCOc1cccc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)n1 509059868 GMFFOAFTZZWURU-CQSZACIVSA-N 358.402 1.316 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@H](COc1ncccc1F)CCS2(=O)=O 306126675 FBRRSIYBGYWMTK-ZDUSSCGKSA-N 368.430 1.415 0 40 FDAB O=C(c1cccnc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8380952 KYVWTHHEKFQYJV-RIYZIHGNSA-N 357.435 1.840 0 40 FDAB Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCCN1CCOCC1 36575628 KKZHIWZZWZTFIC-UHFFFAOYSA-N 368.437 1.511 0 40 FDAB COc1cc(Nc2nc(NCCO)c3nccnc3n2)cc(OC)c1OC 32097358 DJBQPQWHNVKIQP-UHFFFAOYSA-N 372.385 1.593 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)c1=O 75163131 FSJKCNPILYJELV-UHFFFAOYSA-N 359.386 1.836 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1C 188281632 SHPNFDDZTKAKSV-UHFFFAOYSA-N 350.444 1.647 0 40 FDAB NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)CC1 32090235 MZQORHWQUFXPCD-UHFFFAOYSA-N 369.421 1.563 0 40 FDAB CS(=O)(=O)N[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 225950280 ZWCMBPKCOWLDBH-UONOGXRCSA-N 360.863 1.616 0 40 FDAB O=C1NCCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)[C@@H]1c1ccccc1 333416584 LBNOTBSZRVBJTO-UONOGXRCSA-N 358.410 1.925 0 40 FDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 333132350 WZFGCTPZYIZCCG-FGTMMUONSA-N 370.449 1.937 0 40 FDAB O=C1NCCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)[C@H]1c1ccccc1 333416576 LBNOTBSZRVBJTO-KBPBESRZSA-N 358.410 1.925 0 40 FDAB O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccc2c(c1)CCO2 96099047 WJZBXXZAQNRFSL-UHFFFAOYSA-N 361.345 1.815 0 40 FDAB CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1nccn1C)CC2 96199877 QZABNNVJHDOLTB-MRXNPFEDSA-N 356.474 1.524 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231645390 KAQGEQOXRPWPJX-GPINWOSQSA-N 360.410 1.282 0 40 FDAB O=C(C1CCOCC1)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247895738 ZXNJNCGZXISPDG-HNNXBMFYSA-N 361.442 1.680 0 40 FDAB CC(=O)N[C@@]12CCN(C(=O)C(C)C)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257252838 JWHBVLSWLTYIGA-SFHLNBCPSA-N 371.481 1.969 0 40 FDAB CN(C)Cc1cn(-c2ccccc2C(=O)NCCCN2CCOCC2)cn1 257306531 SUQFKYIMKCEDOF-UHFFFAOYSA-N 371.485 1.386 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)Cn1ccnc1)CC[C@H]2O 257215231 CPFJZHCLOFEFPX-XFKSJGNHSA-N 354.454 1.190 0 40 FDAB Cc1cc(CC[C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)ncn1 257223605 DYCANSYDQCOCQW-SFHVURJKSA-N 357.458 1.620 0 40 FDAB CCn1nccc1S(=O)(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643669617 JHDRFGWYFNXVND-ZDUSSCGKSA-N 350.448 1.285 0 40 FDAB CCN1CCO[C@@H](CNc2ccc3nc(C)nn3n2)[C@@H]1c1cnn(C)c1 664312136 AJFKGNPNBKOXDZ-YOEHRIQHSA-N 356.434 1.040 0 40 FDAB O=S(=O)(Cc1c(F)cccc1F)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961493 DRWNJNYTICUTPX-RNCFNFMXSA-N 358.370 1.423 0 40 FDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 625096373 VMOFLSWOFMVPDR-UHFFFAOYSA-N 371.441 1.065 0 40 FDAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc(-n3cccn3)cc2)C1=O 498819616 KFXMFAAJEDOLGU-QZTJIDSGSA-N 367.453 1.677 0 40 FDAB Cn1c(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)nnc1C1CC1 585113322 KFYVMVAJGFLVAV-OAHLLOKOSA-N 353.426 1.865 0 40 FDAB COc1cc(N2CCN(C(=O)COc3ccccc3C)CC2=O)ccn1 1776007795 FRMDFYIZMKLSOQ-UHFFFAOYSA-N 355.394 1.653 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC2Cc3ccccc3C2)nn1 1549161358 KLAPJFNAPNJBRK-YQVWRLOYSA-N 356.470 1.461 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)C2 12155798 VXZMFBNIKNUAKN-HNNXBMFYSA-N 366.421 1.012 0 40 FDAB COc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3ncn[nH]3)C2)c1 12239493 YYAWIBGIYLZIOX-GFCCVEGCSA-N 352.416 1.293 0 40 FDAB O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCC1)c1cccs1 12602373 NWTBRJPSFXKJNS-HRCADAONSA-N 369.556 1.833 0 40 FDAB biogenic,in-vitro Cc1cc(-c2cc3nc4c(c(O)n3n2)CN(CC2=COCCO2)CC4)no1 12667318 DTSTVHPUCLQRIS-UHFFFAOYSA-N 369.381 1.645 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)s1 12771320 OFMIEIPRGLLZQE-CQSZACIVSA-N 350.465 1.918 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1F 15920234 ASWONMRWYDHIOQ-RCJHGTSTSA-N 366.385 1.992 0 40 FDAB O=C1NC2(CCN(C(=O)c3cnn4cccnc34)CC2)Oc2ccccc21 19374691 OASMIVBDYKRRAY-UHFFFAOYSA-N 363.377 1.484 0 40 FDAB O=C(O)/C=C/c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2O)c1 5392758 ZIVGLUKDHKOQPA-QPJJXVBHSA-N 363.347 1.989 0 40 FDAB COc1cc(OC[C@@H]2COC(=O)O2)ccc1COC[C@@H]1COC(=O)O1 627276193 BGJXLAVSNUYOBO-CHWSQXEVSA-N 354.311 1.661 0 40 FDAB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)N1CCCCC1 3344193 BRULKBNLVCVCPU-INIZCTEOSA-N 372.425 1.303 0 40 FDAB O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6079808 HQIIIIJFUBIJFM-UHFFFAOYSA-N 370.434 1.481 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3c(C)noc3C)CC2)n1 1889098697 UCRGDDSOKXPIKA-UHFFFAOYSA-N 372.473 1.549 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1nc(CC(N)=O)cs1 21496395 HJZSAZHAAWUTQL-JTQLQIEISA-N 356.407 1.625 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 1565549167 NBWQAJZRVFAUMW-SNPRPXQTSA-N 350.390 1.794 0 40 FDAB O=C(c1ccc(O)nn1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565547314 PSOMSWHLRVQUFS-UHFFFAOYSA-N 369.425 1.084 0 40 FDAB Cc1noc(CC(=O)N2CCCn3cnc(C(=O)NCC(C)(C)C)c3C2)n1 1565554946 LODXAOONLHLESD-UHFFFAOYSA-N 374.445 1.325 0 40 FDAB O=C(N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 3245052 RWDTUIPBSYGQJR-CQSZACIVSA-N 373.862 1.492 0 40 FDAB CCN1C(=O)NC2(CCN(C(=O)c3cc4ccccc4oc3=O)CC2)C1=O 17288341 XASLGUNPROVLHP-UHFFFAOYSA-N 369.377 1.340 0 40 FDAB O=C(/C=C\c1ccc2c(c1)OCO2)OCn1nnc2ccccc2c1=O 17200758 KHJGFNRECWVRGO-VURMDHGXSA-N 351.318 1.734 0 40 FDAB CS(=O)(=O)N1CC[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H]21 2055772341 AALCVNUXKVTXFM-MFKMUULPSA-N 368.846 1.094 0 40 FDAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(F)c(C)c3)C2)cc(=O)o1 206961827 ASWHPHNOIPUOTI-UHFFFAOYSA-N 353.371 1.848 0 40 FDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1ccc2ncsc2c1 225800842 RREZQVRZESVHDF-UHFFFAOYSA-N 353.363 1.965 0 40 FDAB Cc1cc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)no1 4853690 SGLWNQCYOKDMMU-UHFFFAOYSA-N 370.387 1.964 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C(=O)O 16101334 SXBJSGODPVXFCX-UHFFFAOYSA-N 370.408 1.141 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 20762262 VEENBCUNRMIKGF-MGPLVRAMSA-N 372.381 1.357 0 40 FDAB biogenic O=c1[nH]c(O)ncc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 32809633 KEBUOFCPIBLTQD-UHFFFAOYSA-N 357.391 1.867 0 40 FDAB O=C(NCc1ccccn1)Nc1snnc1C(=O)NCc1ccccn1 33436173 XFVKMOIDXHKTBG-UHFFFAOYSA-N 369.410 1.580 0 40 FDAB Cn1cc(CCNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 53971669 ZVRIIPNDHHFFHY-QGZVFWFLSA-N 372.444 1.699 0 40 FDAB CN(CC(=O)/N=c1/sccn1C)S(=O)(=O)c1ccc(Cl)s1 104999891 UDNLSOJCDMXEBN-ACCUITESSA-N 365.889 1.550 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 23995616 JKMZPXDJLMXPLL-BQYQJAHWSA-N 364.405 1.874 0 40 FDAB NC(=O)C(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O 6829706 VLHAHFMCEYTBLX-UHFFFAOYSA-N 356.329 1.594 0 40 FDAB COc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 24626999 MIKCUZKCOZTMOM-JTQLQIEISA-N 354.414 1.752 0 40 FDAB CS(=O)(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 106360028 MPDGJZRAXONSBA-SZOQZIPDSA-N 364.467 1.909 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C 3257010 MCVVOEBFTQKNPG-ZDUSSCGKSA-N 366.487 1.490 0 40 FDAB NC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1 3226671 HICRGIXKXQMOGA-UHFFFAOYSA-N 362.769 2.000 0 40 FDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 12623103 FXYSJFVTQPIPQZ-UHFFFAOYSA-N 353.263 1.363 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 10088086 GDGHBRSTZKXZCS-JTQLQIEISA-N 350.444 1.104 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101047055 JVTQDRHXOXEWFX-AZULQSKBSA-N 350.374 1.971 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)CN2CCC[C@H](C(F)(F)F)C2)c2ccccc2O1 36390295 VAYUHQQPZFTCEE-FZMZJTMJSA-N 371.359 1.540 0 40 FDAB CC[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccccc1 23400801 WTRAUZULFFEDFL-CYBMUJFWSA-N 368.480 1.806 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 101114626 RIMPTBZGDBXUFE-YRRQLQLVSA-N 361.195 1.901 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NCc1ccco1)C2=O 3464764 OYXJWJRKDQMNFU-DIFFPNOSSA-N 362.386 1.106 0 40 FDAB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(CCC(=O)O)C2=O)cc1 3635912 NUIZNSVUQCQNRG-LBPRGKRZSA-N 352.368 1.771 0 40 FDAB CN(C)C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 48764889 ZXLFMAJXZHDBHW-MRXNPFEDSA-N 367.405 1.967 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 49581391 SQYHBJBUMFWZRD-SFHVURJKSA-N 369.465 1.158 0 40 FDAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)C(=O)N(C3CC3)C2=O)c1 14135796 ZFAJVDKEWBHOFH-HNNXBMFYSA-N 373.409 1.751 0 40 FDAB O=C(NN1C[C@@H](C(=O)OCC(=O)c2cccs2)CC1=O)c1ccccc1 4555498 SKDBQYJUQBZLBC-ZDUSSCGKSA-N 372.402 1.668 0 40 FDAB COc1cccc(NC(=O)[C@@H](Cc2ccc(O)c(OC)c2)c2nnn[nH]2)c1 4599516 QZLLGLLOCNKIPI-AWEZNQCLSA-N 369.381 1.888 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCOC 5451171 XOBRWAABCIUILE-BBRMVZONSA-N 373.457 1.743 0 40 FDAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc1O 4603109 MAZRHOHLSLCADE-CQSZACIVSA-N 352.412 1.935 0 40 FDAB CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](NCc2ccccc2)[C@H]2CO[C@@H]1O2 20463981 ILACXMGCULKVRV-SSSFQFABSA-N 369.465 1.199 0 40 FDAB biogenic,in-vitro COCc1noc(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 95464566 CWPLDOMHSCPMOW-STQMWFEESA-N 352.435 1.064 0 40 FDAB CCN(CCO)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 96597378 MHEYQBBNBZWVHP-UHFFFAOYSA-N 352.390 1.937 0 40 FDAB NC(=O)c1ccsc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 8192673 BKWUEYKHLRDNJB-UHFFFAOYSA-N 350.400 1.040 0 40 FDAB CCOC(=O)N[C@@H](C(=O)NCCC(=O)Nc1cccc(C)n1)C(C)C 70036763 MLCPQUOGDGFZPM-OAHLLOKOSA-N 350.419 1.606 0 40 FDAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cnccn1 8325126 GXNGIUVAWQUSRZ-UHFFFAOYSA-N 358.379 1.800 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)n(C)n1 306128870 HNDHWNGLARMOKX-INIZCTEOSA-N 357.458 1.969 0 40 FDAB Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 95460985 PFVSIUHVQZEHOC-CYBMUJFWSA-N 363.443 1.466 0 40 FDAB Cc1nc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c(=O)[nH]c1C 95441944 NIVRWTZSJKIOKR-UHFFFAOYSA-N 369.425 1.944 0 40 FDAB Cc1nnc2ccc(N3CCN([C@H]4Cc5ccccc5[C@@H]4O)CC3)nn12 89740945 WQUGJHBFPROCLT-LPHOPBHVSA-N 350.426 1.213 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1C 409369719 FFLQGJNJJDPUOY-CQSZACIVSA-N 354.472 1.929 0 40 FDAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)COC)S(C)(=O)=O)cc1 408629590 DYJBVSHPOJOUMK-CHWSQXEVSA-N 358.460 1.391 0 40 FDAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 32093779 WNSMCMMPSCAMNI-KBPBESRZSA-N 353.444 1.136 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCOCC1)[C@H]1COc2ccccc2O1 38630273 ZBIOKHCMTBOCPH-RDTXWAMCSA-N 358.394 1.609 0 40 FDAB CCCCn1c(N)c(N(C)Cc2cn(-c3ccccc3)nn2)c(O)nc1=O 533030118 MHPJAXKKMJHPFT-UHFFFAOYSA-N 369.429 1.548 0 40 FDAB COc1cccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)c1 32647361 XUIWGHAKRPRNGR-UHFFFAOYSA-N 368.349 1.210 0 40 FDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241365 UZJCHCKAJZXRDF-JKSUJKDBSA-N 354.834 1.781 0 40 FDAB CN(C)S(=O)(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 72335422 WLNRZVWIDAUZMF-UHFFFAOYSA-N 368.484 1.415 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1 40040314 WILMFSJMIJYRFS-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225554503 PEUUYXSSQADYOI-OAHLLOKOSA-N 356.382 1.663 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 223277275 UZFGAJKLPBRKAS-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB COc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 225801504 VBEPLORKSCVOML-MRVPVSSYSA-N 356.429 1.545 0 40 FDAB C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 41334566 XDUDXDREMTWLNM-OAHLLOKOSA-N 365.499 1.495 0 40 FDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 224280382 MBWVEYMTEOSBHT-UHFFFAOYSA-N 364.423 1.873 0 40 FDAB O=C(c1csnn1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@@H]2C1 96251797 YHHZOOYRORRPJZ-CRAIPNDOSA-N 358.467 1.246 0 40 FDAB CN(C)C(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96037123 QQXUPWMNUWWXNW-UHFFFAOYSA-N 353.444 1.121 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC)c(NCC(C)C)nc2CC1 96260496 KDMZYVDYUPXODA-UHFFFAOYSA-N 368.503 1.259 0 40 FDAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc[nH]3)CC2)O1 96243662 DLVBBOXZPGAWHV-OAHLLOKOSA-N 371.441 1.266 0 40 FDAB COC[C@@H]1CC2(CCN(Cc3cccnc3)CC2)CN1S(C)(=O)=O 96219714 AEDJRCFUPICNNI-INIZCTEOSA-N 353.488 1.344 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2 96106191 SEVLNQFBGOENQX-INIZCTEOSA-N 354.472 1.819 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H]2CCc3ccccc32)C1 245224701 CBYOGLXLRACHDH-HOCLYGCPSA-N 352.456 1.783 0 40 FDAB Cc1ccccc1NC(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O 245237351 KNYPLWLJSYSBAC-SQWLQELKSA-N 365.455 1.341 0 40 FDAB O=S(=O)(NCc1nc(-c2ccnc(O)c2)no1)c1ccc2c(c1)CCO2 253537704 MVULDDQQHKFLNY-UHFFFAOYSA-N 374.378 1.251 0 40 FDAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CC3)CCN21 253398678 HIDYBLPOODROQG-SFHVURJKSA-N 370.497 1.913 0 40 FDAB biogenic,in-vitro COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C2CCC2)C3)cc1 604381762 NJJWMLFEAYCSKN-GOSISDBHSA-N 371.481 1.459 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)cn1 257278382 OCAONWZBGXYHTE-LRDDRELGSA-N 360.389 1.344 0 40 FDAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 33766544 SAPOOFFLLWATKE-BDXSIMOUSA-N 359.385 1.687 0 40 FDAB biogenic O=C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)Nc1cnccn1 626075921 ZEAMPVYZRLJIEG-UHFFFAOYSA-N 350.426 1.714 0 40 FDAB COCc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2Cn2ccc(N)n2)c1 1775960405 JYCUYLZBHHXFRS-DLBZAZTESA-N 358.442 1.470 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585112341 NHVWJDMVWBEEFV-QGZVFWFLSA-N 366.462 1.909 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1Cc1cccnc1 585103649 LNJLTPJVXSZEBZ-JLAWEPINSA-N 373.497 1.682 0 40 FDAB Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 681292276 XTCYBXJHOOFSQS-ZDUSSCGKSA-N 363.439 1.760 0 40 FDAB Cc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)(C)C)c1 32909032 CPZKNUQUFGMCIR-UHFFFAOYSA-N 368.499 1.775 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCC(c2ccc3cccnc3n2)CC1 1528540816 QZCPBLMWYIIMDO-UHFFFAOYSA-N 352.394 1.485 0 40 FDAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C2CC2)nn1 1549162223 RTZNLHPSRWKQHX-ARFHVFGLSA-N 361.377 1.245 0 40 FDAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3ccc(F)cc3)C[C@H]12 1549161546 LWIWVWXHGNBVHO-INIZCTEOSA-N 359.401 1.453 0 40 FDAB Cc1ccc(NC(=O)CNC(=O)/C=C/c2ccccc2)cc1S(N)(=O)=O 8010303 ZYABFASOGLTWTE-CSKARUKUSA-N 373.434 1.411 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615162312 VRBIIHNSRUEDRC-DLBZAZTESA-N 353.463 1.263 0 40 FDAB CCN(CC)C(=O)Cn1nc(-c2ccco2)n(-c2cccc(C)n2)c1=O 12117406 XCSDHSZJBIWUGY-UHFFFAOYSA-N 355.398 1.866 0 40 FDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 13372001 WRRNSIQBSRCCME-HOTGVXAUSA-N 373.496 1.120 0 40 FDAB CC(=O)N1CCC[C@@H](c2nnc3n2CCN(C(=O)C2CCCCC2)C3)C1 19711004 AFFCHUGNBYSXFE-MRXNPFEDSA-N 359.474 1.927 0 40 FDAB Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(F)cc1Cl 501703872 RXJRPMFMOBOKCJ-IUODEOHRSA-N 350.781 1.962 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC(=O)N2CC(=O)Nc3ccccc32)C1 643857900 KCAXQMAVPVDCCJ-DOMZBBRYSA-N 355.398 1.157 0 40 FDAB NC(=O)c1ccc(N2CCN(c3nc(C4CCOCC4)ns3)CC2)cc1 663632419 HPXGXKKNFMAZBU-UHFFFAOYSA-N 373.482 1.858 0 40 FDAB O=C([C@@H]1C[C@@H](F)CN1C(=O)c1ccccc1OC1CC1)N1CCOCC1 579521498 ZDNNVXPQWLYENP-CJNGLKHVSA-N 362.401 1.639 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1 3330997 GRVMLCFKWTZKMB-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(C)nc2onc(C)c12 9950840 AVOJHNOIFKGHMT-UHFFFAOYSA-N 363.370 1.456 0 40 FDAB O=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCCCCC1 1889119475 SYAWHHFXHLHZMM-UHFFFAOYSA-N 372.517 1.601 0 40 FDAB O=C(CC1(O)CCC1)N1CC[C@]2(CCN2S(=O)(=O)c2cccs2)C1 1614936629 AZQMBKHWWPADIC-HNNXBMFYSA-N 370.496 1.419 0 40 FDAB O=C1[C@@H](N2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)CCN1CC(F)(F)F 2086918798 UHGZUNJPOJHKAN-SCRDCRAPSA-N 372.366 1.752 0 40 FDAB O=C(c1ncc(Cl)cn1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565554691 XHXBAYYBMHAMOB-TZMCWYRMSA-N 370.844 1.932 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(O)c3c[nH]nc3n2)c1 4249645 HOKOQFOHEGGKOF-UHFFFAOYSA-N 358.383 1.748 0 40 FDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc2c(c1)OCO2 4941351 ZBWYDYHRPJUWHK-CYBMUJFWSA-N 362.382 1.546 0 40 FDAB O=C(COc1ccccc1)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 8987344 VPYYBEGXTQGSRY-AWEZNQCLSA-N 368.389 1.963 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1ccncc1 12440073 KGBXUDPGLLFWRS-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB O=C(CNS(=O)(=O)Cc1ccccc1)N1CCO[C@@H](c2ccccc2)C1 16847588 CYCAEPVNJPBCRT-GOSISDBHSA-N 374.462 1.706 0 40 FDAB Cc1cccc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734529 GXPVYKSNRGWMDV-CQSZACIVSA-N 356.426 1.498 0 40 FDAB O=C(Nc1cc(F)ccc1F)c1ccc(S(=O)(=O)N2CCOCC2)o1 31873763 LJUOIFRTZPQONZ-UHFFFAOYSA-N 372.349 1.831 0 40 FDAB CCc1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)o1 630647584 BOXUKTSFMSBYKN-JKSUJKDBSA-N 357.410 1.971 0 40 FDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 31284483 IODYNCUBIBWHAG-HNNXBMFYSA-N 355.394 1.386 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)c2ccc(C)o2)CC1 51097622 JZAMMKGUBLFKCB-LBPRGKRZSA-N 350.419 1.016 0 40 FDAB C[C@@H](NC(=O)N1CCO[C@H](C(N)=O)C1)c1ccc(Br)cc1 51676403 RGBBBCFNXFXCGT-SKDRFNHKSA-N 356.220 1.406 0 40 FDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 54193578 XSYWDQWXBYZLCO-ITPJJHHZSA-N 357.410 1.472 0 40 FDAB Cn1c(=O)c2[nH]c(-c3ccc(Br)cc3)c(O)c2n(C)c1=O 902506 VIKRYLLSVZDRRX-UHFFFAOYSA-N 350.172 1.700 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccccc3O)CC1)C2=O 23642029 JFKDKBVZEFWTJF-YWZLYKJASA-N 372.469 1.972 0 40 FDAB Cc1cnc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cn1 23946815 ZRNBYQQDJOOZPZ-GOSISDBHSA-N 353.382 1.373 0 40 FDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6891314 VSFTUOYAOAQOFH-SNVBAGLBSA-N 363.277 1.984 0 40 FDAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC1 24840898 JPPXDTMRIFJZLA-UHFFFAOYSA-N 354.476 1.037 0 40 FDAB CC[C@H](CO)NCc1cc(Br)c(OCC(N)=O)c(OC)c1 8327003 GQHIAODOMRDOKC-SNVBAGLBSA-N 361.236 1.182 0 40 FDAB C[C@@H](OC(=O)NC(=O)C(F)(F)F)[C@@H](C)OC(=O)NC(=O)C(F)(F)F 1805317 OAEIELZEEGOMSL-QWWZWVQMSA-N 368.186 1.394 0 40 FDAB Cc1cccc(CNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)n1 109089472 PFAVNKUADZZIRV-UHFFFAOYSA-N 365.393 1.980 0 40 FDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 48288011 HPGOESLFVZHXHM-IAGOWNOFSA-N 374.466 1.057 0 40 FDAB Cc1csc(N2CCN(C(=O)c3sccc3-n3cnnn3)CC2)n1 58127836 NWNOKVFRSWXWMN-UHFFFAOYSA-N 361.456 1.451 0 40 FDAB O=C1c2ccccc2C(=O)N1CCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100814420 XEDWQEBQPLIIKZ-GJZGRUSLSA-N 363.417 1.564 0 40 FDAB CC1CCN(C(=O)[C@@H]2CCCN(C(=O)CCNc3ncccn3)C2)CC1 58311328 JWISVLHMBCAZEA-MRXNPFEDSA-N 359.474 1.776 0 40 FDAB CC(C)(C)OC(=O)NCCCCCC(=O)NCCN1C(=O)C=CC1=O 22061932 UPZAILOIXILPGI-UHFFFAOYSA-N 353.419 1.113 0 40 FDAB in-vitro COc1cc(CNC(=O)CCN2CCSC2=O)cc(OC)c1OC 58268809 GFSBSDROCLXDKU-UHFFFAOYSA-N 354.428 1.888 0 40 FDAB CN(CC(=O)N(Cc1cccnc1)C1CC1)S(=O)(=O)c1cccs1 28516038 ROXOBPKZGGLMHF-UHFFFAOYSA-N 365.480 1.955 0 40 FDAB CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 100774442 TUWPUOCSWFVTOY-XGUBFFRZSA-N 355.479 1.118 0 40 FDAB O=C(O)/C=C\C(=O)NCCCCCCCCCCNC(=O)/C=C\C(=O)O 104369489 YXZXWVNQJSGPEN-HWAYABPNSA-N 368.430 1.621 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@@H]2c1cccc(Cl)c1 104280020 XDFXMNGEVIQLTH-INIZCTEOSA-N 372.860 1.781 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2ccccc21 10795518 UBRBXDWFSFNONM-GFCCVEGCSA-N 374.418 1.469 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(=O)n(C)c2ccccc21 24662922 IQGYFJKPHYOIGG-AWEZNQCLSA-N 367.405 1.638 0 40 FDAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCc2ccccc2C1 12909695 IMRUARIXVXBLOH-UHFFFAOYSA-N 363.425 1.321 0 40 FDAB CCC[C@H](NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC)c1ccccc1 21576950 RXOGGDKESQVBOV-HOTGVXAUSA-N 361.442 1.008 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 14069221 PSJSDCPGEMDHFM-UHFFFAOYSA-N 362.407 1.759 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCC1CCCCC1 14082997 ZFNANTYADYKTHJ-UHFFFAOYSA-N 355.438 1.755 0 40 FDAB CCN1CCN(C(=O)CC2CCN(CC(=O)NCC3CCC3)CC2)CC1 66568503 UOMAPZSESLNQEN-UHFFFAOYSA-N 364.534 1.169 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COCc2ccccc2OC)C1 6940138 GJUIMXNTZLFGBV-WBVHZDCISA-N 351.443 1.848 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 7015341 LPFOHIIVPCUJQY-UHFFFAOYSA-N 359.451 1.845 0 40 FDAB COCCNC(=O)Cn1c(C)cc2nc(SC)n(CC(C)C)c(=O)c21 67319897 DPPSQHLUZQCMSA-UHFFFAOYSA-N 366.487 1.647 0 40 FDAB CC(=O)NCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 9503444 ZKNYVEFODJCYMH-UHFFFAOYSA-N 364.405 1.560 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nn1-c1ccccc1 15603964 HAVQJYPYEFCLTI-UHFFFAOYSA-N 361.361 1.963 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c1 7530278 KSSTZJFFELYUGB-UHFFFAOYSA-N 373.442 1.534 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc(C)nc3ccccc23)NC(=O)NC1 16209634 WRNFJDLHXSNONP-UHFFFAOYSA-N 369.377 1.830 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 16644136 YEQYQKCMICMSMA-UHFFFAOYSA-N 366.377 1.677 0 40 FDAB O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCCC1 8181104 XGCYDJKCUAUOSH-UHFFFAOYSA-N 372.874 1.987 0 40 FDAB C[C@H](C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1)N1CCc2ccccc2C1 89980774 ASZXZXJMOOKIEJ-COXVUDFISA-N 351.468 1.942 0 40 FDAB C[C@H]1NC(C(=O)N(Cc2nccn2C)C2CC2)=NN(c2ccccc2)C1=O 69351697 PUVKRFZYPZBXID-CYBMUJFWSA-N 366.425 1.250 0 40 FDAB CC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1 8508421 AJGSGIGHNHUSOE-AWEZNQCLSA-N 352.456 1.839 0 40 FDAB COc1ccc(OC[C@@H](O)CN(C)CC(=O)NCC(F)(F)F)cc1 69927389 DHFBGUZDAAQTDF-NSHDSACASA-N 350.337 1.045 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2cccc(Br)c2)n1 8772161 MEWUOVIXBHRYNI-UHFFFAOYSA-N 352.192 1.639 0 40 FDAB Cn1cc(C(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)cn1 95998357 BWMULDOZQVAZEN-GOSISDBHSA-N 367.453 1.374 0 40 FDAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccccc1)S(C)(=O)=O 409025509 WDYGQAUOVDFGKO-GFCCVEGCSA-N 361.423 1.579 0 40 FDAB COc1ccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)cc1 408577784 ZWIPLJGZNJUIQF-UHFFFAOYSA-N 351.362 1.957 0 40 FDAB Cn1cccc1C(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35269467 UEKBZKPIBUQZMH-UHFFFAOYSA-N 360.845 1.757 0 40 FDAB Cc1ccc(N2CN=c3s/c(=C\c4cnn(C)c4C)c(=O)n3C2)cc1 36621501 HDNYIPSUMRMUQC-PXNMLYILSA-N 353.451 1.144 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Cl)[C@@H](C(=O)O)C1 79440053 LQAVNMCCVSWEKN-LLVKDONJSA-N 369.805 1.881 0 40 FDAB CN(C)c1cc(C[C@H]2CNCCN(C(=O)Cc3ccccc3)C2)ncn1 72355092 NJQXFANCGDZZGH-KRWDZBQOSA-N 353.470 1.376 0 40 FDAB Cc1ccc(CNC(=O)c2nnc(CN(C)CC(=O)NC3CC3)s2)cc1 48341871 ZXKXWPLJHQDBQK-UHFFFAOYSA-N 373.482 1.487 0 40 FDAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 223302748 GGAKMGBUBDMQNM-UHFFFAOYSA-N 356.429 1.374 0 40 FDAB CCc1cccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)c1 49399723 WTDFCMIZOJRRIV-UHFFFAOYSA-N 366.425 1.692 0 40 FDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OCC(=O)O 85879888 RSSHIOUDBZDNNB-NSHDSACASA-N 359.334 1.596 0 40 FDAB biogenic O=C(NCCn1nnc2ccccc2c1=O)c1cc(-c2cccs2)n[nH]1 225796599 VZQLTGFYQXIERP-UHFFFAOYSA-N 366.406 1.673 0 40 FDAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)NC[C@H]1CCCO1 77104323 WMXGOTDXWDIBAV-OAHLLOKOSA-N 365.499 1.339 0 40 FDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O 514289025 OIECEBSSSCJRNF-SLFFLAALSA-N 354.450 1.719 0 40 FDAB biogenic,in-vitro N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 583619872 UDIUOCADBVJFCP-GWCFXTLKSA-N 357.311 1.901 0 40 FDAB Cc1cc(C(=O)N2CCC[C@]3(COCCN(c4ncccn4)C3)C2)[nH]n1 96229125 MKJKFCQMYUWUDY-SFHVURJKSA-N 356.430 1.267 0 40 FDAB O=C(c1ccncc1F)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249756 RSOOQVHEPUYNPG-CZUORRHYSA-N 357.389 1.378 0 40 FDAB Cn1cccc1C(=O)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96229157 WXKLKSGDQXBISX-LJQANCHMSA-N 355.442 1.574 0 40 FDAB CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCc2cc[nH]n2)s1 580732311 LJURMGUPMKIBCZ-DTWKUNHWSA-N 351.436 1.286 0 40 FDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 96225639 KEAJMPWKLODTCY-HNAYVOBHSA-N 372.425 1.735 0 40 FDAB O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 97953826 KOIKHQFWOTVOOS-ZYSHUDEJSA-N 359.470 1.399 0 40 FDAB CCOC(=O)c1csc(NC(=O)c2cnc3sccn3c2=O)n1 95479175 GLLMXLBXWNWFGL-UHFFFAOYSA-N 350.381 1.642 0 40 FDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)c4cc(C5CC5)on4)CC[C@H]32)n1 96215334 HWVBPQMMVFDSPQ-XJKCOSOUSA-N 357.414 1.698 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245232013 NVVNHYDQXQRFEH-LNGZZDABSA-N 356.400 1.478 0 40 FDAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)on1 257235661 GYUUKVYJICMBHR-GOSISDBHSA-N 359.430 1.424 0 40 FDAB COc1ccc(OCC(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1 257283595 OYYANESSZWKONK-GOSISDBHSA-N 357.410 1.724 0 40 FDAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cccnc3)CC2)CC1 257292032 QJRAOFJYODIYGF-HXUWFJFHSA-N 374.485 1.039 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CCCN)C2)c2cnccc2n1 257337848 YURANJSIHNYTPO-LJQANCHMSA-N 357.458 1.125 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1 85436398 RZUNWBGQIKAQPK-UHFFFAOYSA-N 362.455 1.942 0 40 FDAB Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN[C@@H](c2ccncc2)C1 669725782 MBMYEZZDKYDPDZ-OAHLLOKOSA-N 352.398 1.565 0 40 FDAB CCc1cnc(C(=O)N2CCO[C@](CO)(Cc3cccc(F)c3)C2)nc1 585278021 OWRMRVAURLULHY-LJQANCHMSA-N 359.401 1.624 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)c2cnn(C)c2)[C@@H]1Cc1ccc(F)cc1 585269217 LXEJCRRTEROEPZ-ROUUACIJSA-N 358.417 1.911 0 40 FDAB CC(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 670290522 NGQSYUZRBVTAOP-CYBMUJFWSA-N 371.507 1.086 0 40 FDAB CCCn1nccc1C(=O)N1CCOC[C@](O)(COc2cccc(C)c2)C1 1615082624 CSPCBOWNOQCBRB-FQEVSTJZSA-N 373.453 1.884 0 40 FDAB COC(=O)/C=c1/sc2n(c1=O)[C@H](c1ccccc1)c1ccccc1N=2 5719850 WMYSNLVKMCATBM-GSPCDJLXSA-N 350.399 1.766 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 11555804 UZXSYLIMWWBWHR-UHFFFAOYSA-N 362.407 1.759 0 40 FDAB CC(C)C(=O)N[C@H](C)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12220074 OFEFMCKPXXIUTO-OAHLLOKOSA-N 372.469 1.551 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)cc1 15521201 JCWDBFBKGSPUEF-UHFFFAOYSA-N 355.394 1.845 0 40 FDAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 15614228 IMRFJRIWNMPCOZ-UHFFFAOYSA-N 360.435 1.922 0 40 FDAB COC(=O)c1ccccc1NC(=O)CSc1nnc2nc(O)c(C)nn12 15882029 JISNMFXEJYSALV-UHFFFAOYSA-N 374.382 1.051 0 40 FDAB Cc1ccnn1[C@@H](C)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19238260 HKCJPFYMSQKPIN-HOTGVXAUSA-N 368.485 1.937 0 40 FDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1Br 19988565 AYZCNSVZJKAMKK-UHFFFAOYSA-N 351.156 1.948 0 40 FDAB O=C(CCc1nn[nH]n1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 633199802 WGSIYEUZVUYAKG-LBPRGKRZSA-N 364.247 1.986 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)N1CCc3ccccc3C1)C2 573667101 FLWGJVPQLZKASO-KBRIMQKVSA-N 364.467 1.563 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 10469894 QSQKSUHHEKFECB-CQSZACIVSA-N 363.389 1.989 0 40 FDAB CCS(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888866937 ABDIYPNZZQDRHA-IYBDPMFKSA-N 358.467 1.861 0 40 FDAB O=C1NC(=O)[C@]2(CCN(c3nc4ccc(Br)cc4s3)C2)N1 1888868592 LLWRNWOOFGAPPS-CYBMUJFWSA-N 367.228 1.847 0 40 FDAB c1cc(N2CCN(c3nnc(C4CC4)s3)CC2)nc(N2CCOCC2)n1 1888920821 UIQQEBNHMPHVOW-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB CSc1ncc(Br)c(N2CCO[C@@H](C(=O)NC3CC3)C2)n1 1889077131 NAOACNTVKQIRCA-SNVBAGLBSA-N 373.276 1.445 0 40 FDAB O=C(NC1CCC1)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056225211 ILKHOWMBPVICGM-FZKQIMNGSA-N 362.451 1.443 0 40 FDAB CN1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(N)=O)C1 4088586 IOEWCPBBEIVYSM-ZDUSSCGKSA-N 373.434 1.613 0 40 FDAB CCOc1ccc(N(C(=O)[C@@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1 4165334 GACVRGNHIABWDD-HOCLYGCPSA-N 351.424 1.908 0 40 FDAB C[C@H]1CCCC[C@H]1NS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941074 ZMEWPTLWZZXQOI-GXTWGEPZSA-N 368.455 1.643 0 40 FDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1 7419500 HQGSTYAVPNWOPM-UHFFFAOYSA-N 367.365 1.807 0 40 FDAB CCc1cnc(N2CCO[C@]3(CCCN(C(=O)[C@@H]4CCOC4)CC3)C2)nc1 2055793239 DJFONSXGMVABAJ-XLIONFOSSA-N 374.485 1.663 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)C3CC=CC3)CC2)[nH]1 2055746058 GJNFUQPKSMAZHO-UHFFFAOYSA-N 371.485 1.204 0 40 FDAB CSCC[C@H](O)CNS(=O)(=O)c1ccc(Br)cc1 1775967041 CDIBGUDETCZWJD-JTQLQIEISA-N 354.291 1.841 0 40 FDAB O=S(=O)(NCCn1ccn2nc(-c3ccco3)cc12)c1cccnc1 206750986 YGROWKKKDKGUFI-UHFFFAOYSA-N 357.395 1.769 0 40 FDAB CN(C)C(=O)CSc1nnc2c(=O)n(Cc3ccccc3F)ccn12 48988184 HYMQDKYHBWYYQD-UHFFFAOYSA-N 361.402 1.259 0 40 FDAB COC(=O)[C@@H](C)Sc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011397 JOTOFOKCGDWJTD-ZCFIWIBFSA-N 357.417 1.186 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCn2c(=O)n(C)c3ccccc32)n1 40039292 RSZRFOISFSEHNQ-UHFFFAOYSA-N 355.442 1.750 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)cc1 31544479 VHQDVMWDSXGYCY-GFCCVEGCSA-N 365.393 1.922 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCCOC(=O)c1ccccc1 21184233 SCKLIOJMLBFEJX-UHFFFAOYSA-N 352.346 1.797 0 40 FDAB O=C(Nn1cnc2ccc(Cl)cc2c1=O)[C@@H]1COc2ccccc2O1 32842981 ULTCIBWKTLPTTK-HNNXBMFYSA-N 357.753 1.960 0 40 FDAB CCCCn1nc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1=O 21604557 HFRKKAOHRYCQRG-LLVKDONJSA-N 366.418 1.213 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(-c2nnco2)c1 103086243 YPWLOVGHYWGCGX-OKILXGFUSA-N 354.366 1.850 0 40 FDAB CC(C)c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 22777160 AGKGZRSQCWWEKZ-QZTJIDSGSA-N 352.500 1.086 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCNC(=O)c2cc3ccccc3o2)CC1 12391231 YNJVXFDEMBFASY-UHFFFAOYSA-N 373.409 1.853 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 802799 GCHWIUFRGFUIDI-UHFFFAOYSA-N 373.390 1.428 0 40 FDAB O=C(NCCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)CCC2 47351087 HPDNNTDXMYCIGX-UHFFFAOYSA-N 366.469 1.909 0 40 FDAB Cc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 42633893 OVNWHEHQZMWSPG-UHFFFAOYSA-N 364.405 1.534 0 40 FDAB O=C(Cc1coc(-c2cccs2)n1)N1CCC(N2CCNC2=O)CC1 105953035 DSEBMAFJJXZUOT-UHFFFAOYSA-N 360.439 1.962 0 40 FDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cccnc2Cl)c1 7780165 FGJUCFFAUIZQNL-UHFFFAOYSA-N 361.785 1.955 0 40 FDAB Cc1nc(C(=O)Nc2ccc(-n3cncn3)nc2)nn1-c1ccc(F)cc1 12537753 WIJCXWXHYTUQRO-UHFFFAOYSA-N 364.344 1.943 0 40 FDAB COC(=O)[C@]12C[C@]3(C)O[C@@]1(C)OC(=O)[C@]2(Cc1ccccc1)N3C(C)=O 104111080 PKEFXYCLUPEOGI-MANSERQUSA-N 359.378 1.399 0 40 FDAB CCCCCCn1c(SCC(=O)O)nc2c1c(=O)n(C)c(=O)n2C 1797193 DEXPPKMMRGPVGE-UHFFFAOYSA-N 354.432 1.191 0 40 FDAB O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)N1CCCCC1 57507462 LPHCGDNSYUJCTG-UHFFFAOYSA-N 352.398 1.647 0 40 FDAB Cc1ccoc1C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 58218489 KUBCJRUZXWQBKL-UHFFFAOYSA-N 352.398 1.963 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O 100664365 FKZWULLRYFIHQO-JHYKRILVSA-N 352.390 1.687 0 40 FDAB COc1cc(NC(=O)CS(=O)(=O)N2CCC(C)CC2)cc(OC)c1 58314137 YFNOSLGDYAUJPW-UHFFFAOYSA-N 356.444 1.704 0 40 FDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NS(C)(=O)=O)CC1 10665180 JBWHVKKVCZTDPA-UHFFFAOYSA-N 370.519 1.239 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 36397563 UHKIHCNOWYSRAM-UHFFFAOYSA-N 368.455 1.783 0 40 FDAB C[C@@H](C(=O)N[C@H](C(=O)O)c1ccccc1)n1nnc2ccccc2c1=O 2340074 AIPVRGMFJGGPKY-NHYWBVRUSA-N 352.350 1.295 0 40 FDAB COc1ccc(C(=O)OCCOc2ccccc2C)cc1S(N)(=O)=O 11042606 UZMNYAPJWIWWFO-UHFFFAOYSA-N 365.407 1.887 0 40 FDAB COCCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10434070 GXCQIJSHTPMMOG-UHFFFAOYSA-N 356.488 1.903 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3F)C2)CC1 46130954 ITJFYTYYILVJBX-AWEZNQCLSA-N 362.401 1.899 0 40 FDAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2cnccn2)CC1 46957066 FCPKKDAFYHCPET-KRWDZBQOSA-N 366.469 1.835 0 40 FDAB CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)NC)cc3)ccc21 13072068 AQKZHBKTKQEOIU-UHFFFAOYSA-N 359.411 1.612 0 40 FDAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NC3=NCCS3)c2)C1=O 19797482 RPQNBCBZVBYYDQ-UHFFFAOYSA-N 367.452 1.222 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1ccc(F)cc1 5166111 UXMWXWVNTSKKME-UHFFFAOYSA-N 355.325 1.535 0 40 FDAB CCCCCCn1c(C)cn2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 4314150 LKZYXJVHPOAVGY-UHFFFAOYSA-N 359.430 1.627 0 40 FDAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)cc1 84405190 WQWTWMJZRWJBMQ-XJKSGUPXSA-N 352.456 1.643 0 40 FDAB CCCNC(=O)CCNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66827207 YIXRBSSVRBMIBS-UHFFFAOYSA-N 366.425 1.770 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)/N=c1\sccn1Cc1ccccc1 96404458 KUSUDXBPKYGPEG-UPTRSRDDSA-N 365.480 1.449 0 40 FDAB O=C(CN1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7338913 WRKPHIVBNXBWQM-UHFFFAOYSA-N 369.462 1.145 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCC(=O)O)c2)cc1 7360752 GROKFZDQPGYEKX-UHFFFAOYSA-N 364.379 1.909 0 40 FDAB Cc1ccccc1CNC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 7555255 FRNQDLHSHPYSRT-UHFFFAOYSA-N 373.409 1.019 0 40 FDAB O=C(NC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccnnc1 306131237 JZCITNAEPHTBJK-ZDUSSCGKSA-N 369.454 1.192 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 8489302 ZNGULTRPLVLVQC-GHMZBOCLSA-N 360.863 1.840 0 40 FDAB CC(=O)N1N/C(=C2\C(=O)N(C)C(=O)N=C2O)C[C@H]1c1ccc2c(c1)OCO2 8766492 CVZKACGDROQOOQ-HKLRHMNMSA-N 372.337 1.016 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCn2nnc3ccccc3c2=O)c1C 8735130 XYJKQXRMBMXZPM-UHFFFAOYSA-N 356.338 1.338 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc(F)c1 97015131 ROVYNWFMFLAHSV-CYBMUJFWSA-N 354.407 1.518 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 89312086 HZVQKKZYXGLZDM-CQSZACIVSA-N 358.398 1.144 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(SC)c1 75105059 LKXMXDJMIVRRCI-CYBMUJFWSA-N 357.501 1.361 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)n2cncn2)cs1 548681936 XPAFYMWDAZOOOK-OSMZGAPFSA-N 352.439 1.333 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(N)CO)cc1 218171210 IJRHAVCJAXLBLA-SQNIBIBYSA-N 361.419 1.353 0 40 FDAB COc1cc(S(=O)(=O)NCCc2ccccc2)ccc1-n1cnnn1 35311650 UTMAHZWTEQXYLD-UHFFFAOYSA-N 359.411 1.192 0 40 FDAB C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 72341520 KTXUVUOEMDYKDY-RWMBFGLXSA-N 355.442 1.746 0 40 FDAB COc1cc(NC(=O)C(=O)NC(C)C)ccc1N1CCCCS1(=O)=O 40268004 FDJYLQKOEOKWPP-UHFFFAOYSA-N 369.443 1.088 0 40 FDAB COCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 224422765 HTCLEFMKCXLONL-UHFFFAOYSA-N 356.429 1.024 0 40 FDAB CN(CCc1nccs1)C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 190288462 HAAUEFHQHHZXMO-LSDHHAIUSA-N 363.483 1.585 0 40 FDAB COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)cn1 96113416 LIEBYNSSINVHTD-NVXWUHKLSA-N 374.485 1.476 0 40 FDAB biogenic,in-vitro Cn1cnc(S(=O)(=O)N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 96107477 KUXRWUYIRJWXMT-HOCLYGCPSA-N 355.460 1.159 0 40 FDAB Cc1ccccc1C(=O)N1CCCn2cnc(CNS(C)(=O)=O)c2C1 96259429 VWFQSRZLVZAROA-UHFFFAOYSA-N 362.455 1.287 0 40 FDAB Cc1nc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N2CCCC2)cs1 96057957 GRNMIDXKCYGBOE-LZLYRXPVSA-N 365.499 1.822 0 40 FDAB Cc1ccc(CN2C[C@@H]3[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]3C2)cc1 96100349 IMEJMCBTYNHYKK-GVDBMIGSSA-N 350.484 1.318 0 40 FDAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)C2=NN3CCCN=C3N2)cc1 1590479535 AARGBSWJVSKZBW-AWEZNQCLSA-N 371.441 1.595 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 97676318 IPAIUTLGELNSGJ-UHFFFAOYSA-N 372.874 1.449 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)c2cc3c(OC(F)(F)F)cccc3[nH]2)CCO1 583650532 COPGHVFDTSWFSJ-LBPRGKRZSA-N 358.272 1.992 0 40 FDAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(OCCO)nc3)cn2)C[C@@H](C)O1 1598019722 JOTGUMVJOBRTNM-ZIAGYGMSSA-N 372.425 1.714 0 40 FDAB CC(=O)N1CCC(c2nccnc2CNC(=O)Cc2cccnc2)CC1 257329146 XISIYWZETLGECV-UHFFFAOYSA-N 353.426 1.456 0 40 FDAB Cn1cccc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)c1=O 253471252 BQDKWVHXNZLHEA-UHFFFAOYSA-N 366.406 1.482 0 40 FDAB Cc1cc(OCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)c2cccc(C)c2n1 257337646 YTSOISBRJVDSKI-JXXFODFXSA-N 358.438 1.963 0 40 FDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)Cn3nc(C)ccc3=O)C2)n1 257316212 VEPIXJYQFLKKSC-MRXNPFEDSA-N 355.442 1.383 0 40 FDAB CC(C)c1cc(C(=O)N2CC[C@@](O)(CN3CCN(C)CC3)C2)cs1 257257668 KQQIZGVNNGBFPF-GOSISDBHSA-N 351.516 1.696 0 40 FDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)Cn3nc(C)ccc3=O)C2)n1 257316211 VEPIXJYQFLKKSC-INIZCTEOSA-N 355.442 1.383 0 40 FDAB Nc1cc(CC[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ccn1 257269108 MOOYKQVZGPMGCV-OAHLLOKOSA-N 355.394 1.866 0 40 FDAB C[C@@H](NC[C@@H]1C[C@H](O)[C@H](O)[C@H]1n1cnc2c(N)ncnc21)c1ccccc1 257287796 PRNWBGLUVUQCTN-WKOIVZFLSA-N 368.441 1.042 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@H]2C)n1 260739780 PAANICWRMRZCPC-GFCCVEGCSA-N 350.492 1.608 0 40 FDAB C[C@H]1NC(C(=O)NC(C)(C)[C@H]2CCCCO2)=NN(c2ccccc2)C1=O 1643926788 MYGCVLCXRJYBHC-UKRRQHHQSA-N 358.442 1.789 0 40 FDAB Cn1nc(C(=O)O)cc1CN1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1119096784 NYZKFMNHAQSZQX-OAHLLOKOSA-N 360.458 1.733 0 40 FDAB O=C(CN1CC[C@H](c2cc(O)nc(O)n2)C1)N1CCC[C@H]2CCCC[C@@H]21 639733084 OPQLMWNQSQEKDW-YCPHGPKFSA-N 360.458 1.858 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(CCOc2cccc(Br)c2)C1 643804160 OCOWXFAULTVWNR-HNNXBMFYSA-N 357.248 1.530 0 40 FDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3cccc4c3OCCCO4)C2)nn1 652073741 OYCPBGFQJKYVDR-LBPRGKRZSA-N 372.381 1.615 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc(OC)c2)Cc2ccnn21 585113082 ZGGFBNAMAJCBJX-INIZCTEOSA-N 364.471 1.388 0 40 FDAB CCOCC(=O)N1CCc2ncc(-c3cccc(NC(C)=O)c3)n2CC1 585111137 FXKQEALQECWJES-UHFFFAOYSA-N 356.426 1.930 0 40 FDAB Cc1snnc1C(=O)N1Cc2cn(C)nc2[C@@H](COc2cccnc2)C1 585111032 VMHNXWFUIBVQPX-CYBMUJFWSA-N 370.438 1.794 0 40 FDAB CN(Cc1ccccc1)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O 585285639 RJQQQLFUVWSBIM-RBBKRZOGSA-N 368.477 1.685 0 40 FDAB CS(=O)(=O)CCNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58239787 LBEISIDXTJGVDG-LLVKDONJSA-N 361.414 1.135 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)CN3CCC[C@H](C)C3)cnc12 55404828 LQTGMLRULLWKLO-GOEBONIOSA-N 356.470 1.942 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 3148620 NINHRLPZZXVRHN-VMPITWQZSA-N 367.477 1.922 0 40 FDAB O[C@H](COCCOCCOCCN1CCCCC1)CN1CCCCC1 5375499 ZLJYLMBMGYNRPW-IBGZPJMESA-N 358.523 1.369 0 40 FDAB O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)NC[C@H]1CCCO1 11793761 KVBIJIPLBQKYNQ-CYBMUJFWSA-N 364.471 1.993 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC 13001507 HIAFKWFKCOKCHV-BLLLJJGKSA-N 360.410 1.767 0 40 FDAB Cc1cc(C)cc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 17073926 UGBGUAQVWHZEJX-SLZITWOASA-N 358.394 1.264 0 40 FDAB CCc1nc(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)no1 19523186 HGLXRMUVSQEWIQ-JTQLQIEISA-N 364.427 1.408 0 40 FDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 19706333 OSFILXQVNNRZPS-HNNXBMFYSA-N 373.432 1.648 0 40 FDAB CN(C)S(=O)(=O)c1ccc(SCC(=O)N2CCCCCC2)nc1 5635226 NBXCQCCADNPUTN-UHFFFAOYSA-N 357.501 1.827 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F 18434897 JYQWYJKCTGNWCI-RISCZKNCSA-N 372.418 1.428 0 40 FDAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 1849829035 MOQCJKXQIWCELU-LBPRGKRZSA-N 358.895 1.465 0 40 FDAB CN(C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)S(=O)(=O)C1CC1 2086992647 ZQOPHQJMKIXTIZ-UHFFFAOYSA-N 372.512 1.483 0 40 FDAB O=C([C@@H]1CCOC1)N1C[C@H]2Cc3cnc(NCCN4CCCC4)nc3[C@H]2C1 1565555024 OFYAJRMCKRTBDT-OIISXLGYSA-N 371.485 1.119 0 40 FDAB COCCO[C@@H]1CCN(C(=O)c2ncc(OC)cn2)[C@H]1Cc1ccccc1 1565556096 WWDUPFYQAOEZHA-ZWKOTPCHSA-N 371.437 1.974 0 40 FDAB CN(C)c1ccc(N2CCC[C@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)nc1 1565551488 RCGMCLQDGNSQGT-LJQANCHMSA-N 370.457 1.382 0 40 FDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 4248607 XJGUFGACRVOHHE-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB CCCOc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 12440296 OCVPRCXNDBXROI-UHFFFAOYSA-N 370.409 1.957 0 40 FDAB CCN1CCN(CCCNC(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1 22457116 MPZKHFPVTOFSRU-UHFFFAOYSA-N 370.497 1.813 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)OCCCO3)C(=O)C2 101323997 JFTNNMVPNIOTPQ-WMLDXEAASA-N 371.499 1.941 0 40 FDAB Cn1nc(C(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)ccc1=O 225737640 MSMMDNDQSUASOA-AWEZNQCLSA-N 350.378 1.622 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 35806796 FFQIKUBCTCLQFD-AUUYWEPGSA-N 367.449 1.531 0 40 FDAB biogenic C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)NC(=O)NC1=O 40111044 TWMCORBLSQSAJP-LJQANCHMSA-N 367.361 1.765 0 40 FDAB CCCS(=O)(=O)NC1CCN(C(=O)NCCc2ccccc2)CC1 31101186 VCFPIXZLDRILIJ-UHFFFAOYSA-N 353.488 1.733 0 40 FDAB Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)on1 32756794 IVPHANGZTKEJPO-UHFFFAOYSA-N 356.382 1.272 0 40 FDAB O=C(CNC(=O)c1ccncc1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 32828014 QFUQTMFWRVVRPG-INIZCTEOSA-N 368.393 1.568 0 40 FDAB O=C(NC1CC1)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 32936111 GPZHVCIJWCUTGJ-UHFFFAOYSA-N 351.406 1.403 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 22496560 FBUNLAOVHAMURU-ZIAGYGMSSA-N 371.437 1.524 0 40 FDAB CC(=O)N[C@@H](CC(=O)Nc1cccc2c1-c1ccccc1C2=O)C(=O)O 1721148 ZOYHSORKFDZUBV-HNNXBMFYSA-N 352.346 1.816 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482445 QZVAOHRCYQYQBX-OAHLLOKOSA-N 351.314 1.960 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NC[C@@H]1CCCO1 4329598 OWVBUCOFOFJRBO-JTQLQIEISA-N 355.441 1.185 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccnc2)cc1 4935621 NUSLUAJOXCMQQA-CYBMUJFWSA-N 363.439 1.464 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1ccc(F)cc1 6120992 NDDWOHAXPRIAFH-UHFFFAOYSA-N 367.354 1.521 0 40 FDAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 6326309 UYJSOPHBCSUGDZ-INIZCTEOSA-N 365.426 1.488 0 40 FDAB O=S(=O)(NCCOc1ccc(F)cc1)c1ccc2c(c1)OCCO2 6551839 WYXGDWYDRAIFTA-UHFFFAOYSA-N 353.371 1.954 0 40 FDAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 24506240 WNPUSHPPHPWXEF-UHFFFAOYSA-N 366.443 1.676 0 40 FDAB COC(=O)c1cnc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)cn1 95456872 GLZJCRYQXOYPLO-UHFFFAOYSA-N 370.365 1.416 0 40 FDAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1nnnn1Cc1ccccc1 100427253 NTPZBJMHZULBSP-ROUUACIJSA-N 354.458 1.743 0 40 FDAB CN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 10109482 VDIFDSNHENMDPH-KUNBBXKYSA-N 354.516 1.438 0 40 FDAB Cc1csc(=O)n1CCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 48236986 VVKKHFATUFYRDL-ZDUSSCGKSA-N 361.471 1.552 0 40 FDAB CCN(CC)[C@@H](C)CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228241 XAVMQBOPFNEFGP-AWEZNQCLSA-N 358.442 1.918 0 40 FDAB Nc1nccnc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 10321412 XNDBEAVUIGLHNL-UHFFFAOYSA-N 356.411 1.757 0 40 FDAB CCN1CCC(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 52837090 HADJFPJFYNXELY-UHFFFAOYSA-N 351.472 1.441 0 40 FDAB CCCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209708 YWOYVSCQBHNEBM-AWEZNQCLSA-N 368.455 1.600 0 40 FDAB CN(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)C1CCCCC1 3434919 PIDUSEGRTLOOJL-UHFFFAOYSA-N 358.394 1.617 0 40 FDAB CC(=O)N1CCC2(CC1)COc1ncccc1S(=O)(=O)N(C(C)C)C2 306134989 ODYPDKZAPDOHNR-UHFFFAOYSA-N 367.471 1.502 0 40 FDAB CCOc1ccccc1CCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 39977637 WKLDRNFOLNYKKX-GOSISDBHSA-N 360.454 1.868 0 40 FDAB CC1=NN(C(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)[C@@](O)(C(F)F)C1 6395328 QSFIEKFUFLGXKO-INIZCTEOSA-N 364.308 1.981 0 40 FDAB COc1ccc(-c2csc(NC(=O)[C@@H](CC(=O)O)NCCO)n2)cc1 72334061 XAZLVBBSPMXVPF-GFCCVEGCSA-N 365.411 1.182 0 40 FDAB O=C(CN1CCCS1(=O)=O)N1CCC[C@H]1Cc1ccccc1Cl 65697053 YAZARAQFCMOCIA-AWEZNQCLSA-N 356.875 1.909 0 40 FDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6589087 AINKPBQTRPZWCH-UHFFFAOYSA-N 369.768 1.858 0 40 FDAB CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 9452983 QFSRNCWSZUREKR-LLVKDONJSA-N 363.382 1.946 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(Cc2nccn2C)CC1 95381587 RISWVAOLNPWGPP-AWEZNQCLSA-N 369.469 1.801 0 40 FDAB COCCCn1c(SCC(=O)Nc2ccc(C)c(F)c2)n[nH]c1=O 7347633 PKPYDJPBUMQGRF-UHFFFAOYSA-N 354.407 1.786 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc1 8187983 HIYGOXMLDZJGET-UHFFFAOYSA-N 354.472 1.765 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2nnc3ccccc32)cc1 17637958 SAFMRHVMDNADLX-HNNXBMFYSA-N 370.434 1.397 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(OC)nc2)CC1 8735109 CIOPQTIQBGHOCD-LBPRGKRZSA-N 364.398 1.437 0 40 FDAB NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1 19169520 JMCNSZBRYTUTIK-UHFFFAOYSA-N 362.407 1.312 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cn1 95961292 OKGRZSMPEVDBAP-GOSISDBHSA-N 367.453 1.374 0 40 FDAB COc1ccc(S(=O)(=O)NCCO)cc1NC(=O)c1ccc(C)cc1 408559081 VHIJJBFQIUVSLT-UHFFFAOYSA-N 364.423 1.527 0 40 FDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 547554303 KSFZABDZNJNSIR-DOMZBBRYSA-N 365.411 1.030 0 40 FDAB Cn1ccnc1C(NC(=O)c1ccc(N2CCCC2)nn1)c1nccn1C 529756771 OJNJHEQFUKMLFZ-UHFFFAOYSA-N 366.429 1.063 0 40 FDAB O=C(N[C@H](C(=O)O)[C@H](O)c1ccc2c(c1)OCO2)OCc1ccccc1 39475095 PHFXRWNRHDASFI-JKSUJKDBSA-N 359.334 1.828 0 40 FDAB in-vitro COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217495977 YCXGVBZPBRQTNW-LLVKDONJSA-N 368.411 1.903 0 40 FDAB CC(=O)NC[C@H]1CN([C@H](C(=O)O)c2cccc(Br)c2)CCO1 566360017 OPLGNFIDIBFOHL-KBPBESRZSA-N 371.231 1.412 0 40 FDAB NC(=O)C1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 72338672 LTYNGJVAKPSPNN-UHFFFAOYSA-N 350.382 1.895 0 40 FDAB COc1cccc(C(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)c1 72372092 BQKLVOLTHSCEPI-UHFFFAOYSA-N 355.442 1.752 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc(C)c2)s1 74554313 BBZCUXNMQJOEMS-UHFFFAOYSA-N 354.457 1.716 0 40 FDAB COc1nn(C)cc1C(=O)NC[C@H](c1cn(C)c2ccccc12)N(C)C 75149164 BHBQLDUHGKIHTM-QGZVFWFLSA-N 355.442 1.953 0 40 FDAB CSc1nnc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1 224680818 GPJDSHMUAZENJY-UHFFFAOYSA-N 365.483 1.464 0 40 FDAB CCOc1cc([C@@H](C2=C(O)NC(=S)N[C@H]2O)n2ccnc2)ccc1O 223812487 LCEJYIXOGJTQTF-KBPBESRZSA-N 362.411 1.143 0 40 FDAB COC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCC1 225625646 XPXVIHRTQKUMDB-UHFFFAOYSA-N 362.426 1.822 0 40 FDAB Cc1cncc(C(=O)N2C[C@@H]3CN(Cc4cnn(C)c4)CCO[C@@H]3C2)c1 96208849 HLPHVXYTDQUPTL-ZWKOTPCHSA-N 355.442 1.097 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CCN(Cc1nccn1C)CC2 96254590 FVTZAHMIOCHKKP-UHFFFAOYSA-N 355.490 1.477 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccnnc1)C2 96050229 KAROTSRHENBPHP-IBGZPJMESA-N 351.410 1.040 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 95346211 KBKWSRPSKIHVNL-MTOHXBAWSA-N 361.829 1.879 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@]3(COCc4c(C)nc(N(C)C)nc43)C2)cn1 96244411 PADJHFFIGOEVNC-IBGZPJMESA-N 368.441 1.264 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)CC3CC3)C2)C1 96225122 GKLHJQUGVYYQKV-LJQANCHMSA-N 356.426 1.635 0 40 FDAB COc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)cc1 96056288 JJVVLHHYBMVLEW-VDZJLULYSA-N 371.437 1.950 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96043266 FDGMSBNGTCJMQS-IPELMVKDSA-N 359.470 1.698 0 40 FDAB O=S1(=O)CC[C@H](COCc2ccncc2)C12CN(Cc1cccnc1)C2 247333855 PWQNPMSMTOQUND-GOSISDBHSA-N 373.478 1.683 0 40 FDAB COc1cccc(Cc2cnc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)o2)c1 257209732 BRRFXMBOVIQSOK-CQSZACIVSA-N 365.455 1.870 0 40 FDAB COC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O 257250140 JLEPEIGZVRQNOT-SJORKVTESA-N 374.481 1.985 0 40 FDAB CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257220672 DLRDQCYERSSMAS-GOSISDBHSA-N 354.406 1.999 0 40 FDAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 253400747 LRCQUWBQIJBCFN-HNNXBMFYSA-N 357.520 1.133 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2OC)C1 260507347 KEZDQSBYDGFTDZ-INIZCTEOSA-N 368.499 1.806 0 40 FDAB Cc1nncn1CCNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644366258 FLGWBFKZBUEWNC-IBGZPJMESA-N 357.458 1.120 0 40 FDAB CCN1CC[C@H](NC(=O)NC[C@@H]2OCCN(CC)[C@H]2c2ccccc2)C1 661329797 QVKRTVOBHCRPBQ-FHWLQOOXSA-N 360.502 1.842 0 40 FDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 673744299 PKZFQPGEQIPINT-VIFPVBQESA-N 370.335 1.396 0 40 FDAB CCc1nnc2ccc(N3C[C@H](OC)C[C@H]3COc3cccnc3)nn12 1775957019 UZTFOKIVHCVJBS-DZGCQCFKSA-N 354.414 1.754 0 40 FDAB CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1scnc1C 1775958943 HZSAPOVRYCZJCN-KBPBESRZSA-N 367.498 1.892 0 40 FDAB Cc1cc2ncnc(N3CC(Cn4nc5c(cc4=O)CCCC5)C3)c2[nH]1 585604647 GFSAXRJZSIMIBZ-UHFFFAOYSA-N 350.426 1.838 0 40 FDAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@H]12)NCc1ccco1 585108382 CTKGXAJGZPDMCY-BYCSCNSFSA-N 350.390 1.507 0 40 FDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(COc2ccc(F)cc2)on1 585267222 KJQDQWPISXQVCQ-DJIMGWMZSA-N 364.373 1.787 0 40 FDAB O=C(CNc1ccc2c(c1)C(=O)NC2)Nc1cccc(C(=O)NC2CC2)c1 58470310 ZDSRIRNINQAPRU-UHFFFAOYSA-N 364.405 1.873 0 40 FDAB CCc1ccc([C@H](C)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 75478667 KUGHKPZOEGMJJO-BBRMVZONSA-N 366.483 1.162 0 40 FDAB Cn1nccc1S(=O)(=O)NC[C@H](Cc1cccc(Cl)c1)C(=O)O 547556752 CRYLRFHMCQSQEU-NSHDSACASA-N 357.819 1.295 0 40 FDAB C[C@@H]1C[C@@H](O)[C@@H]2[C@]3(C)CCC[C@]2(COC3=O)[C@@]12CC[C@]1(CCOC1=O)O2 5410107 BTDGKVYVOVKLMN-ZLIQWIABSA-N 364.438 1.972 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cn1 17296514 AVHXYNJACCOCKZ-IBGZPJMESA-N 368.393 1.804 0 40 FDAB CN1CCc2nc([C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 19590634 FACFAIXWGZMJQD-CYBMUJFWSA-N 353.426 1.960 0 40 FDAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccccc1N1CCOCC1 19659145 ZKDHZTITTZOWNI-KRWDZBQOSA-N 369.469 1.823 0 40 FDAB Cc1ccc(-c2csnn2)cc1NC(=O)CCN1C(=O)CCNC1=O 19716988 BERIRLUISABBSI-UHFFFAOYSA-N 359.411 1.784 0 40 FDAB CCCCn1c(=O)c2c(nc3n(CCCOC)c(C)c(C)n23)n(C)c1=O 4314322 JYDVSUJRVVRRRH-UHFFFAOYSA-N 361.446 1.603 0 40 FDAB NCC(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643556118 FHJXJKGQRQLBCF-UHFFFAOYSA-N 373.497 1.866 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)CCC1 1614948090 UZQBVCGIXSIOSD-OAHLLOKOSA-N 352.475 1.868 0 40 FDAB CCc1cnc2c(c1NCc1ccccc1OC)c(=O)n(C)c(=O)n2C 12227033 IBLWTRXQJAOYQQ-UHFFFAOYSA-N 354.410 1.815 0 40 FDAB Cc1ccc(C)c(Cn2cnc3c(cnn3[C@H]3CCS(=O)(=O)C3)c2=O)c1 16849816 DVDQNDCCBCLIAF-HNNXBMFYSA-N 372.450 1.618 0 40 FDAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713795 MCRSWIBVDNQTJA-HNNXBMFYSA-N 362.474 1.614 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055772463 LEHMEZMISIJCTC-UHFFFAOYSA-N 351.472 1.515 0 40 FDAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCN(C)CC2)c1 22031302 PLMAIZRPCTXKSY-CQSZACIVSA-N 359.455 1.842 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 575614915 CGLIPKSUZHZBPH-CMDGGOBGSA-N 351.472 1.334 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@H]2CCCOC2)CC1 585501326 DSXRBFDMNXDGOB-QGZVFWFLSA-N 357.458 1.568 0 40 FDAB CN(C(=O)[C@@H]1OCCc2ccccc21)C1CN(c2ccc3nncn3n2)C1 585592542 ICYDBRUYIYMPTL-GOSISDBHSA-N 364.409 1.085 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1 11898970 YCCSVWVNDQKVDS-INIZCTEOSA-N 372.425 1.169 0 40 FDAB OCCN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 20033300 VYSXTCNFACKYTP-KRWDZBQOSA-N 353.466 1.765 0 40 FDAB COc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc(OC)c1OC 40114347 SEEAMWAQHVBNIJ-ZDUSSCGKSA-N 352.431 1.945 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 20745096 NHAGWTNAEJXUGG-AWEZNQCLSA-N 363.845 1.412 0 40 FDAB CN1N=C(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)CCC1=O 32212532 KTZDNUDCBHAXFN-UHFFFAOYSA-N 356.426 1.150 0 40 FDAB COc1ccc([C@H](CNc2cc(C)nc3ncnn23)N2CCOCC2)cc1 32717183 SBIXSJZWYMHYGU-KRWDZBQOSA-N 368.441 1.927 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-n2cnnn2)cc1 21496679 QEEOFRNQMYBXNL-OAHLLOKOSA-N 369.406 1.311 0 40 FDAB CCOc1ccc2nc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@H]43)sc2c1 32831680 NAYSQHNDRSRZJC-JOYOIKCWSA-N 352.437 1.845 0 40 FDAB C[C@@H](NC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)c1ccccc1 32801482 LUKPVPHXYVQPRW-IYJVBRSBSA-N 369.450 1.788 0 40 FDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 22788048 LPBKLMXLGCDTMF-OAHLLOKOSA-N 362.449 1.393 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 207874 YSWNWJUKLUOERO-OXJKWZBOSA-N 350.168 1.820 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccnc1-n1cncn1 47122069 MPTNGXOYZYGWBP-LRDDRELGSA-N 351.366 1.507 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1)c1ccccc1 12388908 AIRXCBYMKZCYSQ-INIZCTEOSA-N 369.421 1.564 0 40 FDAB CCNC(=O)c1ccc(Sc2nnnn2-c2ccccc2OC)nn1 79092080 KUAZWPQICOABMP-UHFFFAOYSA-N 357.399 1.362 0 40 FDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCN1CCOCC1 79474781 LBKAIAJIBWUMQZ-UHFFFAOYSA-N 367.453 1.490 0 40 FDAB C[C@@H](Cn1ccnc1)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 42533596 ZJWWNIXHONCSCK-LBPRGKRZSA-N 368.484 1.548 0 40 FDAB COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C(N)=O)[C@@H]2CO)ccc1O 4769480 KNODYRWGQKZVLY-TYILLQQXSA-N 373.405 1.513 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1 4935617 NUSLUAJOXCMQQA-ZDUSSCGKSA-N 363.439 1.464 0 40 FDAB CCNC(=O)NC(=O)CNc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 55894927 TYCVNRUBFMTSIN-UHFFFAOYSA-N 362.430 1.716 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N(CCc1ccccc1)Cc1cccs1 25669639 NGXHMQSXKSQHNR-UHFFFAOYSA-N 369.446 1.870 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c[nH]c3ccccc23)NC(=O)N[C@H]1C 8394777 UQRDUFOPIWRDBF-JTQLQIEISA-N 357.366 1.843 0 40 FDAB COCCOCc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 9137397 XHKGOICYCFIPQP-AWEZNQCLSA-N 373.413 1.580 0 40 FDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCN(c2cccnn2)C1 109071346 KZFGHWXPLSRFCG-INIZCTEOSA-N 371.489 1.114 0 40 FDAB O=C(C1CC1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851661 FLMGLOHLENSRKB-UHFFFAOYSA-N 363.425 1.328 0 40 FDAB O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1COc2ccccc2O1 27579876 KIKAIXZOSFOIOV-SFHVURJKSA-N 360.454 1.978 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1Br 100184975 ZHPPUSPCAJHRPV-OZTPJHRESA-N 350.168 1.254 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)CS2 29166451 KXZSUORCTONPHR-DOMZBBRYSA-N 369.468 1.451 0 40 FDAB CCS(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 27664571 KHXVIMNIZUOJAK-MRVPVSSYSA-N 359.404 1.877 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nnnn3-c3ccccc3)C2=O)o1 58203003 ZJBXRMVIUMCXEM-KRWDZBQOSA-N 352.354 1.531 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3nccs3)CC2)c1 10671420 GNOAWIZJDFNSCH-UHFFFAOYSA-N 358.467 1.839 0 40 FDAB CCn1c(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)nc2ccccc21 57996168 NFZUNEWCSZDGDU-UHFFFAOYSA-N 372.450 1.894 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c(OC)c1 3398506 WJWOFAYIFNMHTG-UHFFFAOYSA-N 364.379 1.660 0 40 FDAB CN(C)C(=O)CN1C[C@@H]2CN([C@H]3CCOC3)CC[C@]2(c2ccccc2)C1 107805656 TVENHBIRKTWDRL-SVFBPWRDSA-N 357.498 1.439 0 40 FDAB O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCc2ccccc2C1 12005803 PSBCAZCFHXKLPP-UHFFFAOYSA-N 370.430 1.952 0 40 FDAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1NCCO 9162957 SGFLERDOMVXOGA-UHFFFAOYSA-N 367.405 1.884 0 40 FDAB NS(=O)(=O)c1cc(C(=O)NCCOc2ccccc2)ccc1Cl 3446422 BMOBJTGQFOBYFB-UHFFFAOYSA-N 354.815 1.796 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCOCC3)CC2)cc1 12940972 JTDGWEWJCXXRRL-INIZCTEOSA-N 359.470 1.893 0 40 FDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 13360004 ZNMXZHYRSZRWCU-UHFFFAOYSA-N 352.343 1.441 0 40 FDAB O=S1(=O)C[C@H](NC2CCCCC2)[C@@H](S(=O)(=O)c2cccs2)C1 13371066 UETRYNBYCICBNZ-STQMWFEESA-N 363.526 1.610 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCOCC2)ccc1=O 49548635 PJBIORUGXKZNJP-INIZCTEOSA-N 370.453 1.217 0 40 FDAB Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)NCc1cn[nH]n1 97212808 CYMAIMXAVPHXMA-UHFFFAOYSA-N 366.337 1.041 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F 4269851 SYRPPKBGHHVDAO-OUJBWJOFSA-N 366.336 1.775 0 40 FDAB CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 6178654 GOPBDURYACTEHT-LBPRGKRZSA-N 366.468 1.209 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 14164800 JNUCLJGYNRXOPF-QGHHPUGFSA-N 353.369 1.893 0 40 FDAB O=C(NCCCC(=O)N1CCN(C2CC2)CC1)c1ccc(F)cc1F 65609416 RASUCGYGAYXNNV-UHFFFAOYSA-N 351.397 1.781 0 40 FDAB Cc1ccsc1C(=O)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5457998 JOGMYWSGDDBDLB-GFCCVEGCSA-N 357.453 1.391 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)NC3=NCCS3)n2C)cc1 4736029 JDBYBQDEGICDCF-UHFFFAOYSA-N 363.468 1.802 0 40 FDAB Cn1ncc(C(=O)O)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 20616439 UNEHVPPEICCZJU-CYBMUJFWSA-N 356.338 1.025 0 40 FDAB O=c1c2ccc(F)cc2ncn1C[C@H](O)CN1CCc2ccccc2C1 71825039 PPTZIUGHKQJZTB-QGZVFWFLSA-N 353.397 1.955 0 40 FDAB NC(=O)COc1cccc(CN2C(=O)c3ccccc3CS2(=O)=O)c1 69950868 BOTLYQFBPKSONW-UHFFFAOYSA-N 360.391 1.037 0 40 FDAB COc1c(CN2CCN(Cc3nccn3C(F)F)CC2)c(C)nn1C 92614527 TZCVZVIZVPCMQC-UHFFFAOYSA-N 354.405 1.647 0 40 FDAB NC(=O)[C@@H]1CN(Cc2cc3ccccc3nc2N2CCCCC2)CCO1 92735799 QALCJKFIVQEOJB-SFHVURJKSA-N 354.454 1.911 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(C)cc2O)CC1 9910833 GQVMPWLVXPRXDW-UHFFFAOYSA-N 364.398 1.595 0 40 FDAB COCCc1ccc(OS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 89420254 UYSJQEKJLBQIHD-AWEZNQCLSA-N 352.412 1.801 0 40 FDAB COc1ccccc1OCc1nnc(SCC(=O)N2CCOCC2)o1 35312686 YEMGWXNVOLXKOB-UHFFFAOYSA-N 365.411 1.608 0 40 FDAB O=C(N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21)c1nc(N2CCCC2)ncc1Cl 1551450447 YWLFXVKWYLTKOR-MRBYEJRBSA-N 364.833 1.959 0 40 FDAB CCOc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408587899 AMQQZDMNFVJJOM-UXBLZVDNSA-N 369.171 1.825 0 40 FDAB Cc1cc(NC(=O)NCc2cc(C(N)=O)no2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 539309349 PSIALKCPQKCMTA-COPLHBTASA-N 358.402 1.961 0 40 FDAB 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O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCSc1ccccc1 5267860 FFVRLEZVBQSEEU-UHFFFAOYSA-N 369.446 1.988 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1nc2c(s1)CCC2 25767418 NCLLBVKBTZRUAB-UHFFFAOYSA-N 362.436 1.309 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 14100766 VTFGKCILUJNLQW-UHFFFAOYSA-N 367.471 1.062 0 40 FDAB COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cn1 5484578 SSIABJFPNQOCTQ-UHFFFAOYSA-N 369.786 1.989 0 40 FDAB COc1ccccc1CNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 15027220 JSERYCVVTIYTRY-KRWDZBQOSA-N 353.422 1.224 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(N)=O)CC1 7240238 PSSXHUBFVYIOCR-AWEZNQCLSA-N 360.458 1.048 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024738 WCACKGRRMHUVCR-AUKZQPGHSA-N 355.438 1.844 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)c1c(C)noc1N 16327170 RZEFSLQGCQHHBA-UHFFFAOYSA-N 374.397 1.436 0 40 FDAB COc1cc(CC(=O)NCc2nnc3ccccn23)cc(OC)c1OC 18124110 GUBZAVMSMFPRIU-UHFFFAOYSA-N 356.382 1.614 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 92771763 BIYHJTVKFPAHHR-IAGOWNOFSA-N 365.499 1.191 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2cccc(F)c2)C1=O 9690565 CNSDEGYVAVBFNH-SFHVURJKSA-N 357.341 1.703 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 408592790 LSWGHKYFQUOUNY-AWEZNQCLSA-N 372.487 1.459 0 40 FDAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCO)cc1 408709501 BYIGDWVHLICBGU-UHFFFAOYSA-N 369.421 1.226 0 40 FDAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCn2cncn2)CC1 25921150 FUUDUCBFWRRIPT-UHFFFAOYSA-N 370.409 1.561 0 40 FDAB O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(C(=O)C3CC3)C[C@H]1C2 306134315 NISYEAXNRUVQAU-ZIAGYGMSSA-N 351.410 1.571 0 40 FDAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1CSC[C@H]1O 36569756 OCNNTPLSPGJGQG-OYHMZJHOSA-N 368.436 1.299 0 40 FDAB C[C@@H](NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C(=O)O 36576278 CBNZKURGBBWQGZ-CYBMUJFWSA-N 372.425 1.427 0 40 FDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2ccccc2)cc1 67896934 ULGCDSCNWRHWFY-YLJYHZDGSA-N 354.406 1.758 0 40 FDAB biogenic,in-vitro Cn1nccc1C(=O)N1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380569 DGXJUOVXUTYKJB-CYBMUJFWSA-N 370.457 1.835 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1nc2ccccc2[nH]1 47428681 BNPRSIJGXANRJB-LLVKDONJSA-N 363.377 1.444 0 40 FDAB Cc1noc(C2CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)n1 140801113 HKQDOLAOOLFGHK-OAHLLOKOSA-N 371.445 1.726 0 40 FDAB CN1C[C@H]2CN(C3CCN(C(=O)c4ccccc4)CC3)C[C@@]2(C(=O)O)C1 96153166 PQUBRFMBBHAWGA-JXFKEZNVSA-N 357.454 1.239 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044404 KGDXQWCBIBAVKY-QGZVFWFLSA-N 358.442 1.692 0 40 FDAB CCOCC(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145079 NSHJMXZZANJQLH-UHFFFAOYSA-N 368.455 1.003 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96072845 UUKPOZLZXYSINW-GOEBONIOSA-N 351.403 1.817 0 40 FDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 230479375 RHIBFIXSUVNZIM-GREKMHCPSA-N 354.362 1.219 0 40 FDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107293 GRSXFMRFNPIWJO-APWZRJJASA-N 354.410 1.852 0 40 FDAB O=C1COC2(CCN(Cc3nccs3)CC2)CN1Cc1ccccn1 96049208 NOWBFSJCHNZDRD-UHFFFAOYSA-N 358.467 1.932 0 40 FDAB CN1CCN(c2ncnc3c2CCN(Cc2ccc(F)cc2)CC3)CC1 96255678 XOJAKIAPGWPFJW-UHFFFAOYSA-N 355.461 1.968 0 40 FDAB Cc1cc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)no1 247940956 USIJFUKIFCJKLX-CYBMUJFWSA-N 355.460 1.046 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccncc2)no1 247889291 FLEOFRWHCXYZEV-INIZCTEOSA-N 356.426 1.789 0 40 FDAB Cc1cc2nc(C3CCN(CC(=O)N4CCOCC4)CC3)cc(C)n2n1 257297103 RFWFJLIQMVMDSQ-UHFFFAOYSA-N 357.458 1.384 0 40 FDAB Cc1nc2cc(NC(=O)CN3CC[C@H](O)[C@]4(CCCO4)C3)ccc2n1C 257244725 IMNJMVQUJHAVOU-HKUYNNGSSA-N 358.442 1.436 0 40 FDAB O=C(CCc1ccccc1F)NC[C@@]1(O)CCCN(c2cnccn2)C1 257308991 TZBNYGAHGBGMBJ-IBGZPJMESA-N 358.417 1.696 0 40 FDAB CN(C)CC(=O)N1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257218086 DBUZAPIDDQXGAP-SFHVURJKSA-N 368.437 1.309 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc3c(c1)OCO3)C2 253381941 GKUPBTFGGWWHGJ-AWEZNQCLSA-N 353.440 1.441 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccoc3)CC2)C1 285125356 MXCARFXZYXYCIW-HUUCEWRRSA-N 369.487 1.090 0 40 FDAB CN(CC(=O)NC1(c2c(F)cccc2F)CCC1)[C@H]1CCS(=O)(=O)C1 629932579 AWAXZDWWYKMPSE-LBPRGKRZSA-N 372.437 1.579 0 40 FDAB COc1nc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc2ccccc12 640871677 FABQBFPCVYOBPE-LESCRADOSA-N 355.438 1.961 0 40 FDAB Cc1ccc(-n2[nH]c(C(=O)N3CCn4c(nnc4C(F)F)C3)cc2=O)cc1 647640788 DXEQJIOJTWQWBM-UHFFFAOYSA-N 374.351 1.659 0 40 FDAB CCN1CCO[C@@H](CNc2cc(C)nc3ncnn23)[C@@H]1c1cnn(C)c1 664316000 YSRSOHRPJARMHE-HOCLYGCPSA-N 356.434 1.040 0 40 FDAB COc1cccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1 670416074 GPXWDXDFMDQGEK-CYBMUJFWSA-N 356.382 1.502 0 40 FDAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1nnc2n1CCCCC2 679541836 QCQVDEFSOGERHT-RDBSUJKOSA-N 361.446 1.932 0 40 FDAB CSCC[C@H](NC(=O)CCCc1nnc2ccc(Cl)nn12)C(=O)O 1775968600 ZHPORAIVXHRXLG-VIFPVBQESA-N 371.850 1.423 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1 35807239 XYCMDFUIMUCXTH-MSOLQXFVSA-N 353.422 1.601 0 40 FDAB biogenic CN1C(=O)NCC12CCN(C(=O)c1ccc(Br)c(O)c1)CC2 644846076 BPQNNIKJEAPWPV-UHFFFAOYSA-N 368.231 1.785 0 40 FDAB O=C(O)[C@H]1CN(C(=O)NCc2ccncc2OCc2ccccc2)CCO1 666546316 DCWWMOBYBBDXER-QGZVFWFLSA-N 371.393 1.656 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@](CO)(Cc2ccccc2)C1 585279841 ZXRQBRLRZSQMTO-FQEVSTJZSA-N 355.390 1.862 0 40 FDAB Cc1cncc(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 585272068 LCCZIMXUUVOACX-UHFFFAOYSA-N 361.379 1.148 0 40 FDAB Cc1noc([C@@H]2CN(C3CN(C(=O)c4cc(C5CC5)on4)C3)CCO2)n1 685941915 JJBDWHFBOYAYBC-HNNXBMFYSA-N 359.386 1.141 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1 5918337 VWNICDCGTIQLRG-UHFFFAOYSA-N 369.830 1.391 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859047 DAVNREGNPPKABN-SUNKGSAMSA-N 362.304 1.479 0 40 FDAB Cc1cc2c(o1)c1cnn(CC(=O)N3CCOCC3)c(=O)c1n2C(C)C 12131846 OSUYZUAJHQQINX-UHFFFAOYSA-N 358.398 1.692 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC 13001509 HIAFKWFKCOKCHV-WBMJQRKESA-N 360.410 1.767 0 40 FDAB CN(C)c1nc(Cl)nc(Sc2nc(N(C)C)nc(N(C)C)n2)n1 13731766 YIXVFZUNJNHVMD-UHFFFAOYSA-N 355.859 1.059 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16194351 PWIUWYQOEVPSRX-UHFFFAOYSA-N 370.471 1.439 0 40 FDAB O=C(c1cn2cccnc2n1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347255 SAWVEVVCFBRHEC-UHFFFAOYSA-N 374.404 1.986 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@@H](C(=O)N2CCCCC2)C1 19747138 BFYJGKWTYSCCJX-CYBMUJFWSA-N 352.460 1.344 0 40 FDAB CO[C@@H]1CN(c2ncc(C(=O)N(C)C)cc2Cl)C[C@H]1c1cnn[nH]1 621337401 ZEIPNDZQRTTWLY-GXFFZTMASA-N 350.810 1.174 0 40 FDAB COC[C@]1(C)CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 622629432 NOYYGCFURRBDKJ-QGZVFWFLSA-N 352.456 1.725 0 40 FDAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nn2)c1 11696914 SGYFFQUBNRLYBC-HNNXBMFYSA-N 368.441 1.751 0 40 FDAB COc1cccc(C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c1OC 21152055 YGJOCYPVSYWJPF-KRWDZBQOSA-N 373.453 1.846 0 40 FDAB CCOC(=O)CCC(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390829729 GEADDXGDZZGYFZ-OAHLLOKOSA-N 353.440 1.718 0 40 FDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2OC)nn1 1888853317 BFZLHTAIABAZJP-YIONKMFJSA-N 357.414 1.836 0 40 FDAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888913305 IDCVHSWMUZJYRF-GASCZTMLSA-N 366.400 1.401 0 40 FDAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1nnnn1-c1ccccc1 24793194 MMLKXIGVIFZNRV-UHFFFAOYSA-N 368.416 1.940 0 40 FDAB O=C(c1cnn2ccccc12)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 1614936004 SYGIBAOHQQDFNB-MRXNPFEDSA-N 364.453 1.899 0 40 FDAB O=C(c1csnn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1614929029 YBQRPMKEDJFVOF-GFCCVEGCSA-N 360.443 1.594 0 40 FDAB Cc1nc(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)cs1 1565551366 MLYGFTUQNNNFRW-KXBFYZLASA-N 371.462 1.919 0 40 FDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1csnn1)C2 1565554264 WLYYMOOTBLVUND-UHFFFAOYSA-N 362.459 1.304 0 40 FDAB O=C(COCc1ccccc1)N1CCCN(c2ccc3nncn3n2)CC1 1565523529 RTEKCOYXPVMPBW-UHFFFAOYSA-N 366.425 1.380 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCC2)N1CCc2ccccc21 10256592 MFOOHUMFLGBNCC-UHFFFAOYSA-N 371.462 1.406 0 40 FDAB O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2cn[nH]c2)CC1 2055704368 XUNQPNOQHBRDAB-UHFFFAOYSA-N 356.352 1.276 0 40 FDAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)CCOC)CC1 2055754775 QPPVHQQFPAXJKL-UHFFFAOYSA-N 363.458 1.259 0 40 FDAB CN([C@@H]1CCCN(CC(=O)NC2CCCCC2)C1)S(=O)(=O)C1CC1 2086881942 HSQJRYQCTQVFBY-OAHLLOKOSA-N 357.520 1.324 0 40 FDAB COC[C@@](O)(CNS(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 575605769 DGQFPOSIUKEQMD-KRWDZBQOSA-N 369.414 1.647 0 40 FDAB C[C@H]1CCN2C[C@]34C[C@]5(CC(=O)N(C)C5=O)C(C)(C)[C@@H]3C[C@@]12C(=O)N4C 105578165 RTNMRJRMTGSUAE-NFKIQKPMSA-N 359.470 1.103 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 40153441 YGBXFGBZKNQLAX-SNVBAGLBSA-N 351.384 1.408 0 40 FDAB O=C(Cn1ccc2cc(Br)ccc21)NCCN1CCOCC1 20727678 KFLDIMVURJNSOK-UHFFFAOYSA-N 366.259 1.852 0 40 FDAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCNC1=O 22804159 GQVZBUKCDNRCFI-UHFFFAOYSA-N 352.438 1.509 0 40 FDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCCC2)CC1 22930618 JGIHLUDQVZRYIC-HNNXBMFYSA-N 362.449 1.393 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)ccc21 23098583 PDVBQRGRLOGDGP-OKILXGFUSA-N 372.469 1.564 0 40 FDAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccc1 1289923 LRFKRLRQHXRGQF-INIZCTEOSA-N 352.390 1.899 0 40 FDAB COc1ccc2cnn(CC(=O)Nc3nc(C)cs3)c(=O)c2c1OC 79493633 KGORJIOTTHXQHV-UHFFFAOYSA-N 360.395 1.817 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc21 3342645 UCFVCBIEBVBFNH-UHFFFAOYSA-N 367.361 1.368 0 40 FDAB CSCC[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4085101 LFQJPEYSPBOGRQ-XUJVJEKNSA-N 366.464 1.579 0 40 FDAB biogenic CCOc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093784 WHHIIMRGPWDFLO-MTSZKFMLSA-N 354.399 1.200 0 40 FDAB CCc1cccc(O[C@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)c1 4559898 GSDLPPZTQOCNCB-ADHGMGHFSA-N 365.426 1.370 0 40 FDAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccco3)cc21 6794480 DIAGZGRXQSGDCL-UHFFFAOYSA-N 368.393 1.683 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 6844486 MJFYPUDEEVEZMP-LBPRGKRZSA-N 351.403 1.711 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(-n3ccnc3)cc2)s1 105691866 NBOUESVOYUFAKI-JBOZTJCHSA-N 353.447 1.847 0 40 FDAB O=C(Cn1nc(-c2cccs2)oc1=O)OCc1nnsc1Cl 25258886 IMXAVEDUTJLIHT-UHFFFAOYSA-N 358.788 1.813 0 40 FDAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SCC2 9560284 XWJGFCADSPTOFP-UHFFFAOYSA-N 352.441 1.939 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)CN1CCN(c2ccccc2Cl)CC1 57322900 FDFUXIUAIMQBMT-AWEZNQCLSA-N 366.893 1.493 0 40 FDAB COC(=O)c1cnc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1C 9926420 UPLFLJLKRXHWPK-UHFFFAOYSA-N 358.354 1.912 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 26744412 RRVZYGQMXPTSRG-INIZCTEOSA-N 352.456 1.565 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(F)cc1F 12694129 KPROWOACDPAHPL-NSIKDUERSA-N 356.350 1.883 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccn3)C2=O)cc1 27062278 JJQSYJCUIFXBHM-LJQANCHMSA-N 352.394 1.473 0 40 FDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)CC1 104346179 UNXZKGPDTSGJMG-KRWDZBQOSA-N 372.421 1.796 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)CC1 10263974 AWOXLLSWMYEMPG-UHFFFAOYSA-N 373.482 1.573 0 40 FDAB CN(CCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccc1F 58380646 SYKAHECQJOVIKX-CYBMUJFWSA-N 374.503 1.689 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)NCCc1ccc(Cl)cc1 10812574 JSOGBEMLBBWSEZ-UHFFFAOYSA-N 363.830 1.503 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2ccc(OC)cc2)C2CC2)C1=O 28720689 HCOFLWNXURYVKS-IBGZPJMESA-N 374.441 1.411 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1SCC(F)(F)F 36725380 OHSJJIYIXUVCQB-MRVPVSSYSA-N 354.375 1.653 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)CC)CC1 29489504 GYHCLRYJPQUYMX-UHFFFAOYSA-N 354.428 1.395 0 40 FDAB CNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 2634365 ONDYUJITMNAOMF-UHFFFAOYSA-N 357.797 1.611 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C3CC3)C2)o1 306144753 ZNQPUOXLKCFIOJ-AWEZNQCLSA-N 364.471 1.498 0 40 FDAB COc1cccc(-n2c(O)c([C@H]3NCCc4ccccc43)c(=O)[nH]c2=O)c1 5046443 FCARHDMGAIMRIS-KRWDZBQOSA-N 365.389 1.475 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1S(N)(=O)=O 9314025 GIDWFSSWIWSXAJ-UHFFFAOYSA-N 367.383 1.043 0 40 FDAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 39984292 FTALHGRLCWPUPG-HNNXBMFYSA-N 351.453 1.821 0 40 FDAB CC(=O)N1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)Oc2ccccc21 14117175 QPLYRZZLQZYKAW-SFHVURJKSA-N 366.421 1.544 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cc1 408554901 VLHJATSGQGMLRB-UHFFFAOYSA-N 354.366 1.338 0 40 FDAB O=C(CN1CCSC1=O)NCCc1cc(Cl)c2c(c1)OCCO2 14704304 OTDIGMRGRGBYMP-UHFFFAOYSA-N 356.831 1.939 0 40 FDAB Cn1nnnc1SCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 9532353 HOCGDGLDWGCTTK-UHFFFAOYSA-N 364.412 1.322 0 40 FDAB CCOc1ccc([C@H]2NC(=O)NC(CN3CCCC3)=C2C(=O)OC)cc1 67287138 CZXVJDKVOTVART-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CNC(=O)Cc2ccccc2)C[C@@H](C)O1 67702590 JRLFOCFJKLJPSM-LMMKCTJWSA-N 373.497 1.446 0 40 FDAB C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)NC(C)(C)C 7868884 HVBBHMJQOYDNQE-JTQLQIEISA-N 374.434 1.536 0 40 FDAB Cn1c(CN2CCCC2)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O 96536562 XDXGSMXUUQTFEG-UHFFFAOYSA-N 361.829 1.564 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 8097345 VCBMLGYRRLXXDT-JTQLQIEISA-N 353.806 1.669 0 40 FDAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@@H](C)N(CC2CC2)CC3)cn1 306130455 JGUDJPXASIMSJU-CQSZACIVSA-N 354.458 1.627 0 40 FDAB COCCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957088 NQYJYIIVMGIDMM-JTQLQIEISA-N 350.387 1.272 0 40 FDAB CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)c(C)n1 72347524 FTMVVNMYBKELHJ-LJQANCHMSA-N 353.426 1.999 0 40 FDAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccccn3)n2)c1 40287603 GMHZSTHTLNHTFM-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccoc3)CC2)C1 47088782 OFJQFXHJPSGCPL-IYBDPMFKSA-N 362.474 1.611 0 40 FDAB O=C(c1ccc(Br)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85436628 NESPQKFPRDSIRZ-OAHLLOKOSA-N 353.260 1.978 0 40 FDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)no1 40288019 SFUOSYPGBROQOM-WOPDTQHZSA-N 357.370 1.489 0 40 FDAB O=C(c1ccccc1Br)N1CCN(C[C@@H](O)C2CC2)CC1 85436624 YVVBIFOMFLZDLR-OAHLLOKOSA-N 353.260 1.978 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2cnccn2)C1 225469098 LGLCCEJJSALKQF-AWEZNQCLSA-N 365.393 1.257 0 40 FDAB CN(C)C(=O)CN1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc12 96242442 UVUOMNZTFVMXQX-UHFFFAOYSA-N 355.482 1.861 0 40 FDAB CCOC(=O)CN1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 96226095 KQBUDCAKFMNJFS-GOSISDBHSA-N 363.389 1.226 0 40 FDAB COc1cc2nc(C)n(CC(=O)Nc3nccs3)c(=O)c2cc1OC 96118600 ZWENJFMHGJKTNL-UHFFFAOYSA-N 360.395 1.817 0 40 FDAB CO[C@H]1CCN(C(=O)c2ccccn2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109466 HNCCRKXKWAVBAX-UHOSZYNNSA-N 352.438 1.838 0 40 FDAB CCNCc1nc(-n2cnc(C(=O)NC[C@H]3CCCO3)c2)n2ccccc12 96062755 ZRCABUYMFNMPRD-CQSZACIVSA-N 368.441 1.538 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1 245224259 UBOKTTMKVJUYSR-XBFCOCLRSA-N 353.396 1.791 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)cn1 257238153 HJUQHPRBXWFEGW-AWEZNQCLSA-N 352.398 1.159 0 40 FDAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257234374 GTFZVPMQCRFWDW-ZDUSSCGKSA-N 351.432 1.692 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cnc(-c4nccn4C)cn3)C2)n1 257313214 URKSFBLMAPDBOT-ZDUSSCGKSA-N 351.414 1.315 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cc2c(s1)CCC2 257211633 BZPRVYJFPMZPEJ-GOSISDBHSA-N 358.467 1.788 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCCn2ccnc2)c1 257337426 YSSAQLVMABYGTD-UHFFFAOYSA-N 366.425 1.525 0 40 FDAB Cc1nnc2n1C[C@@H](NC(=O)N1Cc3ccccc3N(C)C[C@@H]1C)CC2 378557262 IQEUGLGYRNMMAQ-BBRMVZONSA-N 354.458 1.951 0 40 FDAB NC(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36596680 YVEAOTRQVBQBCG-OAHLLOKOSA-N 366.377 1.904 0 40 FDAB biogenic O=C(c1ccccc1CS(=O)(=O)c1ccccc1)N1CCOCCN1 615490125 OFCXSSQQFDLAEG-UHFFFAOYSA-N 360.435 1.638 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@H]1c1cnn[nH]1 622169747 ZNJPLAKNLYKQJD-MEDUHNTESA-N 356.361 1.384 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)C2)nn1 630197256 MYRMPZXXVZUDHL-NQZOLGFYSA-N 352.394 1.726 0 40 FDAB CC(C)c1ncc(S(=O)(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)[nH]1 681567703 ZSYNEOHWXWZMTE-LBPRGKRZSA-N 359.354 1.916 0 40 FDAB O=C(O)CN(C1CCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 653496536 WBBSHCZMZYJXNX-UHFFFAOYSA-N 352.412 1.441 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NCc2ccco2)[C@@H]2OCC[C@@H]21 585109129 AKVIZMSXVIBGIT-DZKIICNBSA-N 359.382 1.430 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(CC3CC3)C[C@@H]12 585105996 BFIZULDDTBGCOP-CVEARBPZSA-N 372.469 1.354 0 40 FDAB O=C(C[C@H]1CN(Cc2ccncc2)Cc2cccn2C1)N1CCOCC1 585099156 QOINASCULSLERH-SFHVURJKSA-N 354.454 1.764 0 40 FDAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cnn(C)c1 585098563 UWMDBKGZBNUKNZ-CQSZACIVSA-N 353.430 1.432 0 40 FDAB COC[C@]1(CC(N)=O)CN(C(=O)c2c(C)n(C)c3ccccc23)CCO1 585277694 KNMJQALPUSYHAY-IBGZPJMESA-N 359.426 1.220 0 40 FDAB OCC1(CSc2nc(CN3CCOCC3)nc3ccccc23)COC1 75108811 FBQFZEUNRSWGNV-UHFFFAOYSA-N 361.467 1.563 0 40 FDAB O=S(=O)(NCC1(O)CSCCSC1)c1ccc(Cl)s1 1888921850 WXFIDPITTGAICB-UHFFFAOYSA-N 359.947 1.891 0 40 FDAB CN(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152790 JZMBDVMAAAQHRL-QGZVFWFLSA-N 370.453 1.177 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cn3cncn3)nn2c1O 12276350 CNSRHGQIOVFCFV-AWEZNQCLSA-N 355.402 1.261 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1 12481660 TUPSOXZDKIWXJY-UHFFFAOYSA-N 365.499 1.685 0 40 FDAB O=C(CCn1nnc(-c2ccc(F)cc2)n1)NC(=O)NCc1ccccc1 12809529 ONXBBRQVYJJWSZ-UHFFFAOYSA-N 368.372 1.895 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)c2cccnc2n1 19240638 SYJZOPSONNMXCW-MRXNPFEDSA-N 369.469 1.762 0 40 FDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 19748292 TYWIJUMYXNZFEP-LBPRGKRZSA-N 370.519 1.146 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCCn3cccn3)C2)c1 19750261 HRIWTHXHODPCOC-MRXNPFEDSA-N 356.426 1.560 0 40 FDAB CN1CCC(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 201733595 PRPDQNHTOODONY-UHFFFAOYSA-N 359.470 1.791 0 40 FDAB O=C(NCC(=O)N1C[C@@H]2Cc3cccc(=O)n3[C@@H](C2)C1)c1ccccc1 208186631 MNGLPOCSJQTMFQ-PBHICJAKSA-N 351.406 1.224 0 40 FDAB O=C(Cc1ccccc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888913335 PQLOPOPCNPPKCB-GJZGRUSLSA-N 366.400 1.401 0 40 FDAB CCOC(=O)C1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 23381671 QVXIPYQRQFENAN-UGSOOPFHSA-N 351.447 1.720 0 40 FDAB O=C(CN1CCCCCC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840861 UQFMIAFBTSOZFH-OAQYLSRUSA-N 371.481 1.897 0 40 FDAB CCc1nc2c(c(=O)n1CCOC)CCN(C(=O)c1ccsc1)CC2 1565542346 OLMJGEHJMLYGTJ-UHFFFAOYSA-N 361.467 1.755 0 40 FDAB C[C@@]1(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)CC=CCC1 1565548729 IYAYTWGTHGAUNO-WOJBJXKFSA-N 362.470 1.599 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)ccc21 2928299 QMMDAHBTBUVGAZ-AWEZNQCLSA-N 354.428 1.373 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C)cc1)C1=C(COC1=O)N2 4495896 ODGIKUQCVTUAHY-AWEZNQCLSA-N 367.405 1.634 0 40 FDAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1cn(-c2cccc(F)c2)nn1 1775968430 GJFHWFMMQNQCDT-UHFFFAOYSA-N 363.352 1.767 0 40 FDAB O=C(CN1CCOCC1)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 23109903 APGXYQKLHMTUMH-UHFFFAOYSA-N 364.405 1.861 0 40 FDAB COCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(C)ccc21 100872383 ITYDDNADWCUNLR-ZCXUNETKSA-N 361.423 1.234 0 40 FDAB CC(C)c1noc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)n1 2086884765 WHGIEPMOAOPFEP-UHFFFAOYSA-N 357.462 1.905 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@H](O)CN1c1cccc2ccccc12 839383 CQDUHCJNJLYWPD-GFCCVEGCSA-N 363.377 1.089 0 40 FDAB O=C(c1cccs1)N1CCN(CCS(=O)(=O)c2ccccc2)CC1 24669654 IGYWDVNYCOPNSJ-UHFFFAOYSA-N 364.492 1.980 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cccc(N2CCNC2=O)c1 40145214 IKVYXEFNLHPNLI-UHFFFAOYSA-N 362.393 1.727 0 40 FDAB O=C(NCC1(c2ccccc2)CC1)[C@H]1CCCN1[C@@H]1CCS(=O)(=O)C1 40158600 UJSJAYYILVVSPY-IAGOWNOFSA-N 362.495 1.486 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccccc2)c1 40286926 AGFJWCSDMYNJBO-UHFFFAOYSA-N 350.382 1.268 0 40 FDAB O=C1CCc2cc(C(=O)Cn3nnn(-c4cccs4)c3=O)ccc2N1 32789214 NRYLZYCDNQUROG-UHFFFAOYSA-N 355.379 1.258 0 40 FDAB COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 52584297 YIBAHIUJRKGNMN-KRWDZBQOSA-N 372.469 1.634 0 40 FDAB Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c2c(O)nn(C)c2n1 32982822 JHTYYCWGPQEIDU-LBPRGKRZSA-N 368.393 1.894 0 40 FDAB Cc1nn(C)c2ncc(C(=O)NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)cc12 32920960 OHLLYRXFIMKGPR-BETUJISGSA-N 359.474 1.894 0 40 FDAB O=C(CSc1nnnn1C1CC1)NCCOc1cccc(Cl)c1 47201079 OVUIDWIKPSJQLZ-UHFFFAOYSA-N 353.835 1.949 0 40 FDAB CC(=O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 897866 VNLQNGYIXVTQRR-JYODLBJNSA-N 362.466 1.780 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)CNC(=O)OCc1ccccc1 6384975 FZQWLJMANGJGLI-ZDUSSCGKSA-N 354.428 1.324 0 40 FDAB COCCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10434442 IHIPNRLWAYIAHW-LBPRGKRZSA-N 362.879 1.956 0 40 FDAB COc1ccccc1OCCNC(=O)CNC(=O)NCc1ccccc1 43733877 VXJRWPMRMLBJGE-UHFFFAOYSA-N 357.410 1.690 0 40 FDAB CCOC(=O)c1cnc(SCc2cc(=O)n3cc(C)ccc3n2)nc1N 26246558 GOZZTLYPVRYUHG-UHFFFAOYSA-N 371.422 1.844 0 40 FDAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12605641 WPAJXEIPJDRHPU-RUDMXATFSA-N 372.406 1.880 0 40 FDAB O=C(COCc1ccccc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1 58198438 WTOHLXLTVNJGQF-UHFFFAOYSA-N 374.462 1.960 0 40 FDAB CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 58224290 WWUQYFQAYTXOKK-VXGBXAGGSA-N 361.261 1.218 0 40 FDAB CCn1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(C(N)=O)n1 28229873 HHCXKYNCURZQMX-UHFFFAOYSA-N 367.413 1.722 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O 58438852 PFAMIFFEZXPXNB-VXGBXAGGSA-N 359.386 1.303 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 10511285 GMWYYJFRRWVRMG-UHFFFAOYSA-N 358.375 1.325 0 40 FDAB C[C@@H]1CN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H](C)CO1 36387095 ONXCXECPNDWRIC-HUUCEWRRSA-N 354.472 1.317 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@](CNC(=O)C(F)(F)F)(O3)[C@@H]2C(=O)N1c1ccccc1 100509950 VUKCMKKLFPMOTI-MEQWQQMJSA-N 366.295 1.178 0 40 FDAB COc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c(OC)c1 11462540 NFNYRFWPLWBLNG-UHFFFAOYSA-N 357.370 1.176 0 40 FDAB C[C@H](OC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC(=O)NC1CCCCC1 29681431 ALQLTUSRFQHIBL-NEPJUHHUSA-N 369.462 1.627 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1 12857099 WFNYKGWHOZUAGE-UHFFFAOYSA-N 367.471 1.654 0 40 FDAB CCSCCNC(=O)c1nc(-n2cnnc2)ccc1Br 21721305 XMEJPUGRXDNYRN-UHFFFAOYSA-N 356.249 1.908 0 40 FDAB Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3F)n2N)no1 3519722 NVKVJNJKFLGUAC-UHFFFAOYSA-N 362.390 1.749 0 40 FDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(F)cc2)C1=O 8755037 RBJAFOYEERMTKS-GOSISDBHSA-N 357.341 1.703 0 40 FDAB Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1C1CCCCC1 13816724 YLAJQYIKAJLXPY-UHFFFAOYSA-N 373.457 1.654 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1 4682674 UFNCJSCRYJRZNV-UHFFFAOYSA-N 372.400 1.525 0 40 FDAB C[C@H]1Cc2ccccc2N1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6832008 BTEJBEHWIVZSAH-ZDUSSCGKSA-N 356.426 1.724 0 40 FDAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)CNC(=O)Cc2ccccc2)C[C@@H](C)O1 67702581 JRLFOCFJKLJPSM-SCTDSRPQSA-N 373.497 1.446 0 40 FDAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC[C@@H]1CCCO1 7498964 FWDVXTSWXTWQBS-LBPRGKRZSA-N 366.219 1.398 0 40 FDAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2nc[nH]c2C(N)=O)C(C)C)cc1 8013803 MKOIZESLHNRLHU-ZDUSSCGKSA-N 373.413 1.300 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1 16773541 UHTMQWMASKCOQH-QWHCGFSZSA-N 370.471 1.508 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccccc1 8518664 DYWBETBJXGDXAY-QGZVFWFLSA-N 351.362 1.729 0 40 FDAB biogenic CCC[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CCN1CCOC 95452149 KXVSSOQUTKQZQA-MRXNPFEDSA-N 359.474 1.784 0 40 FDAB CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1(C)C 95463075 UANRBOBQHCUVBZ-ZLKJLUDKSA-N 361.485 1.428 0 40 FDAB CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 95944819 QIOYYFMXIHFYDC-UHFFFAOYSA-N 355.441 1.523 0 40 FDAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)C1CC1 9952247 UTILTOAUPINOBH-SNVBAGLBSA-N 360.443 1.469 0 40 FDAB Cc1nnc(N2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)s1 306141972 WLRAXEUZRVQKRM-HOSYDEDBSA-N 351.457 1.184 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)c1nccc2ccccc12 72341017 GSQMTCNAMDJDLK-UHFFFAOYSA-N 366.406 1.469 0 40 FDAB O=C1N[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)Nc2ccccc21 72347516 AMOVGJFKJLUVDA-IBGZPJMESA-N 362.393 1.517 0 40 FDAB C[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 31164277 KUMUOJWJSYMCFI-FPHPLZIGSA-N 364.737 1.646 0 40 FDAB biogenic,in-vitro Cc1ccnc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1 72326036 ZVYGHOFQBHPBDX-INIZCTEOSA-N 364.405 1.980 0 40 FDAB biogenic CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)C1CCCC1 30753343 NZQUMETUMJCFRQ-UHFFFAOYSA-N 354.428 1.582 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(N2CCCC2)n1 49410882 FDKBDJQKGXYATG-UHFFFAOYSA-N 355.442 1.857 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@H]21 84460080 ISDWVUPBHPGSMC-XMDUPGNXSA-N 370.430 1.692 0 40 FDAB Cc1cc(Br)cnc1NC(=S)NCCN1CCOCC1 223892447 YKYYOFTXSFUIBJ-UHFFFAOYSA-N 359.293 1.771 0 40 FDAB Cn1cccc1C(=O)N1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 96051515 FSAUNQORGXCOIM-MRXNPFEDSA-N 353.426 1.630 0 40 FDAB Cc1noc(C)c1CC(=O)NCCN1Cc2cc(F)ccc2OCC1=O 238876884 OGTNVMDYJIEQMB-UHFFFAOYSA-N 361.373 1.510 0 40 FDAB O=C([C@H]1CN(Cc2ccsc2)CC12CCOCC2)N1CCOCC1 96052209 KXTXCXOODGWUND-MRXNPFEDSA-N 350.484 1.836 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)O1 96057568 LVKQDZSRLDWTIA-BRWVUGGUSA-N 362.426 1.471 0 40 FDAB COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1cnn(C)c1 96044532 QDSSWQTXVJZTMW-SFHVURJKSA-N 359.474 1.789 0 40 FDAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159078 VMCKVVOWEZFLLV-UHFFFAOYSA-N 357.389 1.522 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181367 FTDNUKCOFGJICK-AEFFLSMTSA-N 373.453 1.815 0 40 FDAB O=C(COc1ccccc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247739291 MVWCBZVZJFXPLR-MRXNPFEDSA-N 355.394 1.694 0 40 FDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247964669 GCJMAEPHKPYDED-INIZCTEOSA-N 372.425 1.274 0 40 FDAB Cc1c(C(=O)N2CC[C@](O)(CN3CCN(C)CC3)C2)oc2ccccc12 257333456 YBQPHNRCMBKFKT-FQEVSTJZSA-N 357.454 1.566 0 40 FDAB CN(C(=O)c1cc(COc2ccc(F)cc2)on1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257241821 HZTLPPTUNGPZRR-BRWVUGGUSA-N 364.373 1.739 0 40 FDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(OCCCN)cc2)[C@H]1O 257238962 HNGPILJRKUXXOL-GUDVDZBRSA-N 372.469 1.756 0 40 FDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cccnc3)cn2)CC1 257277438 NXYADJUSSSVTBO-UHFFFAOYSA-N 353.426 1.603 0 40 FDAB Cc1c(F)cccc1NC(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1 257248771 JFDDTEICAIQBKA-FQEVSTJZSA-N 370.428 1.987 0 40 FDAB COCc1cccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)c1 257238319 HKLADESNHNTEGW-IBGZPJMESA-N 356.426 1.384 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCN1C(C)C 257244571 ILXPHSGZZGTJDJ-QGZVFWFLSA-N 372.469 1.094 0 40 FDAB CNS(=O)(=O)CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 267676298 VZRWDSPQNQERGM-UHFFFAOYSA-N 352.334 1.414 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1615205114 XRJFAECSIZMAPZ-PMPSAXMXSA-N 372.512 1.228 0 40 FDAB O=C(CCc1ccc(C(=O)O)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O 630262347 LIYRZSWUTMVTSG-MRXNPFEDSA-N 360.410 1.214 0 40 FDAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)cc1 633899110 GKYIVDSTNUNIPE-UHFFFAOYSA-N 368.437 1.467 0 40 FDAB NC(=O)C[C@H](N)C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 638584392 KEPMSGQZRAVWLP-WDEREUQCSA-N 372.288 1.695 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)NCc1ccccc1OCC1CC1)N(C)C2 644358974 SYQRZBSGGSMZEK-MRXNPFEDSA-N 355.442 1.506 0 40 FDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)O)C2)c1 666516430 SQZCKVJMQOGKBU-WFASDCNBSA-N 363.414 1.210 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2sc(C(=O)O)cc2c1 642184003 NNCQAIZNXPSYLD-NSHDSACASA-N 368.436 1.962 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3C[C@@H]2COCc2ccccn2)cn1 585094706 IQPHDJBSQQFNHZ-QGZVFWFLSA-N 352.442 1.692 0 40 FDAB Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)Cn3cc(C)nn3)[C@H]2O)cc1 585283368 AATMHIDTBCBLQE-SZVBFZGTSA-N 358.442 1.620 0 40 FDAB Cn1ccc(CC(=O)N2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)n1 585109344 LEYLXWKPEHYIPF-ZJOUEHCJSA-N 366.465 1.592 0 40 FDAB C[C@@H]1CN(Cc2ccco2)C[C@]12COCCN(C(=O)Cc1ccn(C)n1)C2 585113535 BSMAULCPBVLIAS-UZLBHIALSA-N 372.469 1.553 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)C1=CCCCC1 585096768 COGVCUJJBAUSNN-AWEZNQCLSA-N 352.460 1.034 0 40 FDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 48251732 MOZDKUWAIHRHMF-LBPRGKRZSA-N 359.455 1.549 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](C2CCCCC2)C1 680416011 BQCPMYIRRJZAOF-HZPDHXFCSA-N 358.504 1.608 0 40 FDAB Cn1cncc1C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615126991 BZAJWQDCRUUXPW-UHFFFAOYSA-N 372.400 1.597 0 40 FDAB OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 5459345 FMZUHGYZWYNSOA-DAUOMPHXSA-N 358.390 1.937 0 40 FDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 5582805 QHTIXCSYYBVOKV-UHFFFAOYSA-N 363.420 1.683 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CN3CCCC3=O)nn2c1O 12276343 PIUQFPLKLARKCC-HNNXBMFYSA-N 371.441 1.592 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)C1 17076559 ZPAVNLDTZBCRBP-TZMCWYRMSA-N 374.393 1.322 0 40 FDAB COc1ccc(S(=O)(=O)N(C)Cc2nonc2C)cc1NC(C)=O 19559152 IVJWSCOVCFHQEE-UHFFFAOYSA-N 354.388 1.166 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CN(C)C)CC2=O)cc1 19581888 VZWNWAXXSRBOIA-WBVHZDCISA-N 359.470 1.991 0 40 FDAB CCC(=O)N1CC[C@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707975 SHAFDGFNCYCPRZ-HNNXBMFYSA-N 357.458 1.596 0 40 FDAB Cc1noc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888870186 QKBGJCQMCRYLDZ-IYBDPMFKSA-N 362.455 1.272 0 40 FDAB Cn1cnc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)c1 2037984910 RFFJEXNIHWMNQV-PBHICJAKSA-N 354.410 1.314 0 40 FDAB Cc1cccc(CN2CCO[C@H]3CN(Cc4c(C)nn(C)c4C)C[C@@H]32)n1 2056224069 BYBKKNJAZQRMFJ-PMACEKPBSA-N 355.486 1.826 0 40 FDAB COCCOC(=O)N[C@H]1CO[C@@]2(CCCN(Cc3cccc(O)c3)C2)C1 2056225962 GIQQUTCUUHASHU-APWZRJJASA-N 364.442 1.888 0 40 FDAB Cn1c(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cccc1=O 1614946889 HABCGNBBMIECKA-FQEVSTJZSA-N 366.421 1.440 0 40 FDAB Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2n(C)c(=O)n3C)CC1 2087044526 WHPSEAXUKSGRLT-UHFFFAOYSA-N 372.860 1.955 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565553745 DHZFVHSGZKPMAI-GUDVDZBRSA-N 361.486 1.944 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 2055835070 VEBUOTPKIZKMDN-RHSMWYFYSA-N 368.455 1.045 0 40 FDAB COc1ccc(CCNC(=O)CN2CC(c3nc(C)no3)C2)cc1OC 49482613 BLDVGJFUMGKVEN-UHFFFAOYSA-N 360.414 1.153 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCCOCCn3cccn3)CC2=O)cc1C 575619734 MQNIRARXHNJBDR-KRWDZBQOSA-N 370.453 1.686 0 40 FDAB Cc1nc2ccccc2nc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 40024829 OMUFKDBYCFKTSW-HNNXBMFYSA-N 353.470 1.723 0 40 FDAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 30368498 MSWKDRBGUMKVED-MDZDMXLPSA-N 371.437 1.339 0 40 FDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cn1 40105651 JDJKKKTWCBULLF-CYBMUJFWSA-N 350.448 1.264 0 40 FDAB C/C=C/c1ccc(OCC(=O)O[C@@H](C)C(=O)N2CCOCC2)c(OC)c1 21258332 LGBHMGPQXHUMTK-NNTXTVRGSA-N 363.410 1.898 0 40 FDAB O=C(COn1nnc2ccc(Cl)cc21)NC[C@H]1COc2ccccc2O1 32769775 FOXUDXJKDQBFIQ-LBPRGKRZSA-N 374.784 1.470 0 40 FDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847809 HQDXSYRQBAPCJC-HNNXBMFYSA-N 359.470 1.980 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1cccnc1 12374791 IWKWCYHKNWYALJ-AWEZNQCLSA-N 356.304 1.564 0 40 FDAB Cc1c(C(=O)c2cccs2)sc2nc3c(c(=O)n(C)c(=O)n3C)n12 630609 RIYSWSLJSIJBAM-UHFFFAOYSA-N 360.420 1.547 0 40 FDAB CCN(CC)[C@@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)C1 72303375 HXIBEFKKXAOOMP-UONOGXRCSA-N 368.503 1.986 0 40 FDAB NC(=O)C1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCCC1 78945161 GDAXHWRCLSXIGL-UHFFFAOYSA-N 358.373 1.290 0 40 FDAB CC1(C)CC(=O)c2c(cc(OS(C)(=O)=O)cc2OS(C)(=O)=O)O1 1768238 VMVXDVWWJLPXCH-UHFFFAOYSA-N 364.397 1.107 0 40 FDAB COc1ncccc1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 23101826 IDAJNAMDJGKYQP-UHFFFAOYSA-N 363.439 1.112 0 40 FDAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccccc1O)O[C@@H]1OC(C)(C)O[C@H]21 4042174 QYHDAPSRVVKNBC-WZYWGQKZSA-N 365.382 1.727 0 40 FDAB biogenic CC(C)OC[C@H](O)CN1CCN(c2ccc(Br)cn2)CC1 97254511 PKEBTTJAHSVSRG-CQSZACIVSA-N 358.280 1.752 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@](CNC(=O)C(F)(F)F)(O3)[C@@H]2C(=O)N1c1ccccc1 4610744 VUKCMKKLFPMOTI-KZTGVZKYSA-N 366.295 1.178 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 57982398 KFKMKDWRCOYJAY-UHFFFAOYSA-N 361.320 1.168 0 40 FDAB CN(C)C(=O)COc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1 109070907 UMIBCVVXCGBIKK-QGZVFWFLSA-N 369.469 1.702 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)c1C 44723016 ZTQNRJYQXHJFOZ-CABCVRRESA-N 364.467 1.207 0 40 FDAB Cc1cc(C)cc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1 101664476 UGBGUAQVWHZEJX-CHUNWDLHSA-N 358.394 1.264 0 40 FDAB CC[C@H](C)[C@H](NC(=O)Cn1c(-c2cccs2)noc1=O)C(=O)OC 58216138 SDFSKISOUWZRTJ-CABZTGNLSA-N 353.400 1.269 0 40 FDAB CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)c1ccccn1)C(=O)O 104850236 WDBMDLPFTOIHQM-CYBMUJFWSA-N 351.403 1.960 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 50429290 XXNMGUZZNJVTJM-LSDHHAIUSA-N 355.438 1.557 0 40 FDAB CN(CCNC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 55436833 XLEKDMJOKTVASI-UHFFFAOYSA-N 361.467 1.949 0 40 FDAB O=C(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 48375325 KCGJEKAYNXTFHP-IRXDYDNUSA-N 361.442 1.995 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2cn(C(F)F)nc2C)CC1 36615063 QCLDLJKMZVXJKG-UHFFFAOYSA-N 351.375 1.550 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CN(C)C(=O)c2ccco2)n1 22530006 LTNZQPQPHYEBSK-UHFFFAOYSA-N 351.384 1.552 0 40 FDAB CCOC(=O)CN(CCOC)C(=O)CCc1nc(-c2ccsc2)no1 84793473 BHVDIWYYZRZCMK-UHFFFAOYSA-N 367.427 1.769 0 40 FDAB CC(=O)Nc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 13100146 YEXSOCHULCGYLI-IBGZPJMESA-N 366.377 1.757 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 95480811 PZQJWYWWLOEIPM-UHFFFAOYSA-N 372.410 1.406 0 40 FDAB CCOc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 5000101 GDKNJZJTVBCEBQ-UHFFFAOYSA-N 353.378 1.738 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1sccc1C)C1=C(COC1=O)N2 4495978 KBZLTBGRBPMXEO-LLVKDONJSA-N 359.407 1.685 0 40 FDAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCc1cccs1 14141239 APQLWGJMQMNSFT-VIFPVBQESA-N 352.489 1.519 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1nc2ccccc2s1 14125313 KMANOVVVXSVQIT-LBPRGKRZSA-N 356.407 1.510 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)n2)n1 170612060 GEQSWXYVEMWUJG-OAGGEKHMSA-N 353.426 1.374 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 15905568 JJCSKAXFNIOCSI-BMQTXXJKSA-N 361.401 1.684 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCN1C(=O)c1ccco1 69620900 KZWYXKZIHMBMAA-AWEZNQCLSA-N 366.381 1.176 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 9745617 UFCJZUHUXGJCPZ-CQSZACIVSA-N 365.363 1.230 0 40 FDAB COC(=O)Cn1cc([C@H](C)OC(=O)c2ccc(-n3cncn3)c(C)c2)nn1 89591413 UWAVYYUSOPFKNS-LBPRGKRZSA-N 370.369 1.258 0 40 FDAB O=C(COc1cccc(C(F)(F)F)c1)N1C[C@H](N2CCCC2)[C@H](O)C1 89780687 QQTFNKWFKILMST-LSDHHAIUSA-N 358.360 1.752 0 40 FDAB C[C@@H]1C[C@@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O 67902828 GLNIOASGXMEGTM-LTPBQMFOSA-N 362.422 1.962 0 40 FDAB biogenic,in-vitro Cc1ccc2cccc(S(=O)(=O)NCC3(C(=O)O)CCOCC3)c2n1 548202586 ILISFQFUQHZVKP-UHFFFAOYSA-N 364.423 1.703 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 32641389 HARLPYRKPJMZCH-ZFWWWQNUSA-N 353.440 1.115 0 40 FDAB COc1cc(NC(=O)[C@@H]2CCN(C)C2)c(C(=O)N2CCCC2)cc1OC 524300410 PCXVSOFGDSTRAR-CYBMUJFWSA-N 361.442 1.830 0 40 FDAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 72378545 QWVDXPXUCCUIEP-KRWDZBQOSA-N 355.442 1.571 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1COCC(=O)N1Cc1ccccc1 75164240 GXAOHIFISDVJNN-HNNXBMFYSA-N 354.362 1.781 0 40 FDAB CC(C)CN1C[C@H](C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)CC1=O 570775841 XRENUWASEZBPLJ-PBHICJAKSA-N 360.410 1.368 0 40 FDAB COc1ccc(CNC(=O)c2c(O)n3ccc(C)cc3nc2=O)cc1OC 226822087 RVIRIFOYTGGHLI-UHFFFAOYSA-N 369.377 1.656 0 40 FDAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 96183024 QKQZHPHZWPKGCA-CQSZACIVSA-N 355.412 1.941 0 40 FDAB CCC(C)(C)NC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96147337 CQSAUJNJKCXJPG-UHFFFAOYSA-N 362.455 1.925 0 40 FDAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccsc3)C2)C1 96062367 KSUYHPWNFVYWHF-SFHVURJKSA-N 360.483 1.846 0 40 FDAB Cc1ccc([C@H]2[C@H](C(=O)NCc3cnn(C)c3C)OCC(=O)N2C)cc1 96181418 ZZGMWPPXZYPNHP-ZWKOTPCHSA-N 356.426 1.252 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)s1 245227118 AVMPQSVJOPOXAL-MQUKTJJQSA-N 358.423 1.092 0 40 FDAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)c1F 253473115 RKWFYPCGUCRHPP-NSHDSACASA-N 352.391 1.415 0 40 FDAB Cc1cccc(O[C@H](C)CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 266517927 HJXLJTIQLANVRW-ZIAGYGMSSA-N 355.460 1.095 0 40 FDAB COc1cc2c(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)ccnc2cc1F 624423440 GXPDQKUFYVBLKJ-SJLPKXTDSA-N 358.373 1.745 0 40 FDAB C=CC(=O)NCCC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1116332780 LIYHZCSYOSISFO-UHFFFAOYSA-N 369.421 1.214 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccn(Cc3ccccc3)n2)C1 644036625 TUXIYRYSOGJBMR-IBGZPJMESA-N 356.426 1.035 0 40 FDAB O=C1NC(=O)[C@H]2CN(C(=O)NCCc3cccc(-c4ccccc4)c3)C[C@@H]12 655686051 CYLUDDVDBGSRLJ-HDICACEKSA-N 363.417 1.810 0 40 FDAB O=C(Cc1ccsc1)N1CC2(C1)CN(C(=O)c1cc3ccccn3n1)C2 1271231843 ZHXLGZAIWOGHCO-UHFFFAOYSA-N 366.446 1.923 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21)n1cnnn1 604403876 BDNXOPTXSDGRDR-SVZOTFJBSA-N 360.462 1.120 0 40 FDAB biogenic COC(=O)c1sccc1S(=O)(=O)NCc1nn(C)c2c1CCCC2 96099175 SGLLRFULDFCSDF-UHFFFAOYSA-N 369.468 1.626 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccsc1 575403768 NWGHVQBUNYFUBL-AWEZNQCLSA-N 372.512 1.699 0 40 FDAB CCOC(=O)[C@H]1C(=O)C(=O)N(Cc2ccc(OC)cc2)[C@H]1c1cccnc1 575623559 BLZYEXMGSMGVAG-SJORKVTESA-N 368.389 1.922 0 40 FDAB CO[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@]12C[C@H](c1ccccc1)CO2 585288197 QUMSHGCUSKKNHL-ZSZQSSIHSA-N 355.394 1.596 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)C1=O 48310154 OJFZSMAPWUWKCC-UZLBHIALSA-N 370.453 1.890 0 40 FDAB CCOCCCNC(=O)C1CCN(C(=O)c2cccc3cn[nH]c23)CC1 52848279 NABSUEWKEKZGTA-UHFFFAOYSA-N 358.442 1.958 0 40 FDAB O=C1[C@H](N2CCN(C(=O)C3(O)CCCCC3)CC2)CCN1c1ccccc1 86586655 HNDBYIGITFOZIU-GOSISDBHSA-N 371.481 1.631 0 40 FDAB CN(Cc1ccncc1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970933 KGYBTYXEOKOKOG-UHFFFAOYSA-N 372.436 1.902 0 40 FDAB Cc1cc2c(=O)n(CC(=O)NCCN3CCc4ccccc43)cnc2s1 12148429 NNPKAXFEZYCPOI-UHFFFAOYSA-N 368.462 1.945 0 40 FDAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc4n3CCS4)CC2=O)c1 16960377 ZLLDRLZRVLIALZ-JTQLQIEISA-N 359.411 1.384 0 40 FDAB CC1CCN(CCC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)CC1 19747654 LWECGQUOXMNPIY-SFHVURJKSA-N 359.470 1.975 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 165684546 LMZLGPXNDFXKGG-SYWGBEHUSA-N 356.378 1.199 0 40 FDAB O=C(NC1=NS(=O)(=O)c2ccccc21)c1ccc(-n2cnnc2)cc1 19659384 AUHMKVCPWVRINS-UHFFFAOYSA-N 353.363 1.146 0 40 FDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCc1ccccc1 4485711 ULFXXQPHLZXFDM-UHFFFAOYSA-N 365.389 1.368 0 40 FDAB CCc1ncnc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1F 1888944387 YSHIGRALQHODCJ-UHFFFAOYSA-N 368.420 1.789 0 40 FDAB O=S1(=O)N=C(N2CCN(c3nccn4nccc34)CC2)c2ccccc21 1888986389 YOVLDPWEJSHSQD-UHFFFAOYSA-N 368.422 1.000 0 40 FDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 238882356 PMJMDHFCHUMSPM-AWEZNQCLSA-N 368.437 1.361 0 40 FDAB COCCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840473 NMOWAAXCZRIELJ-GOSISDBHSA-N 350.390 1.587 0 40 FDAB Cc1cn([C@H]2CCN(Cc3scnc3C)CC[C@@H]2O)c(=O)nc1O 2037849844 UGGYCJJQKVTERB-STQMWFEESA-N 350.444 1.220 0 40 FDAB CO[C@@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@]12C[C@@H](C)C(=O)O2 257550478 TZPKEJFBTXRNTK-NTOJFBDHSA-N 351.443 1.902 0 40 FDAB biogenic Cn1c(=O)c2c(SCc3ccccn3)nc(C3CC3)nc2n(C)c1=O 4061654 TXMWQQXWHOKZBO-UHFFFAOYSA-N 355.423 1.592 0 40 FDAB COc1ccc(OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4504786 WNOZGGGDXARESJ-CQSZACIVSA-N 355.456 1.746 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 17052305 DGPSOUCLXBXOHA-UHFFFAOYSA-N 359.411 1.458 0 40 FDAB O=C(Cc1ccccc1F)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731621 NPNZVMMWCRGUEN-HUUCEWRRSA-N 373.428 1.597 0 40 FDAB O=C(c1ccccc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775968520 PFHNQUANRRLEIU-UHFFFAOYSA-N 363.421 1.981 0 40 FDAB O=c1cc(N2CCN(c3cccc(-n4cccn4)n3)CC2)nc2ccccn12 2298082521 JFLVMBUSYYSORN-UHFFFAOYSA-N 373.420 1.602 0 40 FDAB NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O 36685821 CSPHXUNZEYYDIL-UHFFFAOYSA-N 369.450 1.996 0 40 FDAB CCC(CC)[C@H](N)[C@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1NC(=O)OC(C)(C)C 79243833 SECXLAHYOAZIGA-AIEDFZFUSA-N 358.479 1.813 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCN(C)CC3)C2)n(-c2cccnc2)n1 2332241725 XVMURKQMPUMQJX-KFKAGJAMSA-N 370.501 1.652 0 40 FDAB O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1Cc1ccccc1 101036158 KGELJZPBIOYPCT-IBGZPJMESA-N 365.433 1.842 0 40 FDAB COC(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21 32087492 SGAGXQFQUSPYEC-UHFFFAOYSA-N 352.318 1.665 0 40 FDAB O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 20745429 WMGIFYWXPHTPQM-UHFFFAOYSA-N 370.363 1.903 0 40 FDAB CC1CCC(NC(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 32904961 YTIACUMOXVKARV-XGHPGWEVSA-N 351.491 1.393 0 40 FDAB COC(=O)c1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 103099093 NVSLYWLXTQHKIU-IYBDPMFKSA-N 372.421 1.607 0 40 FDAB Cc1ccc(C(=O)OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1F 22005158 ZCRWROFNAVBYHF-MRXNPFEDSA-N 366.433 1.764 0 40 FDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 3523010 NSZMDYJGMOUVKI-JTQLQIEISA-N 352.368 1.419 0 40 FDAB O=C(CSc1nnnn1C1CC1)Nc1ccc(CN2CCOCC2)cc1 23718668 MUWYMETZBDPGHR-UHFFFAOYSA-N 374.470 1.571 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c1 24356813 BDGLWYKBERLBML-UHFFFAOYSA-N 363.391 1.723 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)n1C 24777431 LEXXPMLCKJSEPR-UHFFFAOYSA-N 351.414 1.272 0 40 FDAB O=C(Nc1cccc(-c2nnco2)c1)N1CCN(c2cnccn2)CC1 44085105 HZQWLELKXHQQEE-UHFFFAOYSA-N 351.370 1.881 0 40 FDAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nc2cc(S(N)(=O)=O)ccc21 12628204 KCEKVRXRMDKOAT-PELKAZGASA-N 355.441 1.500 0 40 FDAB Cc1cccc(NC(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 58174340 MVTYRELBOJGPBT-HNNXBMFYSA-N 366.421 1.888 0 40 FDAB C[C@H](CC(=O)N1c2ccccc2C[C@H]1C(N)=O)NC(=O)c1ccccc1 58150262 BTSXYUWBHGTJQT-DYVFJYSZSA-N 351.406 1.638 0 40 FDAB CCNC(=O)NC(=O)Cn1nnc(-c2cc(F)ccc2Br)n1 58297634 RUUTVWVSVKLQPQ-UHFFFAOYSA-N 371.170 1.087 0 40 FDAB Cn1c(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc21 10391066 SPRAYYHTESMXKC-UHFFFAOYSA-N 358.423 1.875 0 40 FDAB Nc1nnc2[nH]c(N3CCOCC3)c3c(c1-2)CCN(Cc1ccccc1)C3 2226488 FSFMFLKTKIVZGE-UHFFFAOYSA-N 364.453 1.887 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)N1 21473453 IYZIOZAZQCRAPR-UHFFFAOYSA-N 369.377 1.673 0 40 FDAB COC[C@H](O)CNC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 84247933 BSLBMNNEMVZIOU-QGZVFWFLSA-N 369.421 1.959 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cnn1C 2732182 PMTCRQLWCIIUMI-ZDUSSCGKSA-N 354.476 1.188 0 40 FDAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3409080 QERAXQHCRRLAOJ-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3566030 HLUHYRKVZPLKMF-UHFFFAOYSA-N 361.427 1.625 0 40 FDAB O=C(CN1CCN(C(=O)C2CC2)CC1)N1CC=C(c2ccccc2)CC1 12905883 RTZCJVSLRXHVTH-UHFFFAOYSA-N 353.466 1.857 0 40 FDAB CCOC(=O)N1CCN(CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)CC1 14163661 LEOGAIAOQSVUBC-GOSISDBHSA-N 366.462 1.609 0 40 FDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Br)cc3F)[C@H]2C1 6673592 IRKGYSQUAMSPPE-SCZZXKLOSA-N 365.249 1.448 0 40 FDAB CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccccc1F 7107029 CTKYQZHYBAHFTR-UHFFFAOYSA-N 351.403 1.720 0 40 FDAB CNC(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 7575869 RWRSZZNXHAOHQE-FQEVSTJZSA-N 351.406 1.845 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 7654094 GEXFARSXVIIKFV-UHFFFAOYSA-N 358.423 1.800 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 16400224 SWUMRECRYFQSQL-GOSISDBHSA-N 357.366 1.372 0 40 FDAB COCc1nnc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)s1 72403196 NPTPXVTZOOMRKG-UHFFFAOYSA-N 357.395 1.547 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1O 72403973 GKCMTZXXRJKQHL-ZDUSSCGKSA-N 370.413 1.041 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccncc1 95472485 NAQRNNUBTKUTMB-QGZVFWFLSA-N 366.421 1.498 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)n1nnnc1C(C)(C)C 95993037 BGLVWSQTLZDHFE-NSHDSACASA-N 369.429 1.784 0 40 FDAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)c1 306125840 DDMGPWPVCWSXCW-SFHVURJKSA-N 372.465 1.865 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1COc2ccccc2O1 89865770 ZJRFORFRBWJEBY-ZDUSSCGKSA-N 373.409 1.197 0 40 FDAB Cc1c(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c(=O)n(-c2ccccc2)n1C 408661942 MDTKCXGBADGGQN-DZQJYWQESA-N 367.405 1.621 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(OC)c2)cc1 116713726 XAJVKQXXERLWHP-UHFFFAOYSA-N 351.380 1.984 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)N(CCC(N)=O)c3ccccc3)cc12 60331651 SNYVSIUIUVADFK-UHFFFAOYSA-N 373.438 1.347 0 40 FDAB Cc1c(S(=O)(=O)NC[C@H](C)Cn2ccc(C(F)(F)F)n2)cnn1C 36614658 SQJCJLVLUAWIJM-VIFPVBQESA-N 365.381 1.558 0 40 FDAB CCONC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 32928371 MFSVCTNLEDLMLO-UHFFFAOYSA-N 351.222 1.137 0 40 FDAB Cc1ccc(C2(C(=O)N3CCN(S(C)(=O)=O)CC3)CCOCC2)cc1 72264679 GUFZPHJLXPGOBW-UHFFFAOYSA-N 366.483 1.147 0 40 FDAB Cc1cc(-c2cc(=O)n(CC(=O)NC[C@H]3CCCO3)nc2C2CC2)on1 72340376 KXJOBQFMONCBHS-CYBMUJFWSA-N 358.398 1.379 0 40 FDAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCCC3)ccc21 225692991 YMMRQBPPHQGFFQ-UHFFFAOYSA-N 369.512 1.847 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2C)C1 222609538 MHVYJJBTHODFST-CQSZACIVSA-N 368.455 1.782 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225554534 PEUUYXSSQADYOI-HNNXBMFYSA-N 356.382 1.663 0 40 FDAB O=C(c1ccccn1)N1CCN(C(=O)c2cccnc2N2CCCC2)CC1 192975930 YHXUJNWGDILQEQ-UHFFFAOYSA-N 365.437 1.675 0 40 FDAB O=C1C[C@@H](Sc2ncn[nH]2)C(=O)N1c1ccc(Br)cc1 199207400 KYQOKLUCRMSUSB-SECBINFHSA-N 353.201 1.991 0 40 FDAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1cccnc1 618254482 ACFHYLAWVCUGAR-GOSISDBHSA-N 362.451 1.674 0 40 FDAB CCc1noc([C@@]2(O)CCN(C(=O)NCc3ccc4cnn(C)c4c3)C2)n1 585085337 SRBPDFGVEOAMEP-GOSISDBHSA-N 370.413 1.322 0 40 FDAB Cn1cccc1C(=O)NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21 248110705 HBSFUULIDUYEPH-INIZCTEOSA-N 357.458 1.577 0 40 FDAB COc1ccc(C)cc1CC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1 257298859 RNNWCRDETOFLNU-IBGZPJMESA-N 356.426 1.094 0 40 FDAB CCS(=O)(=O)N1CC2(C[C@H](CCOc3cncc(C)n3)CCO2)C1 253601684 VVIAEFLLHZRLJK-CQSZACIVSA-N 355.460 1.385 0 40 FDAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)C3CCC3)CC2)CC1 257282241 OSZMMFJOQBOYGI-IBGZPJMESA-N 351.491 1.131 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccc(OC)cc1OC 257321638 WCMWNSQEKSUODE-PBHICJAKSA-N 350.415 1.112 0 40 FDAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257254911 KFFJUHOZQAELNT-OAHLLOKOSA-N 364.475 1.519 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(C)ccc3OC)C2=O)C1 250659167 DGGODKVUHYOOCK-ZBFHGGJFSA-N 374.437 1.911 0 40 FDAB CC(C)CN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604381920 VIQNMRPXUBEIHU-GOSISDBHSA-N 358.486 1.945 0 40 FDAB biogenic,in-vitro CCc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257319460 VSQKTTCKJHPJAE-CQSZACIVSA-N 354.414 1.948 0 40 FDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2c(C)nn(C)c2C)C1 257309731 UCDXZICDDJUHAU-OAHLLOKOSA-N 356.474 1.892 0 40 FDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257327740 XCNFJYLJHHDEEA-OAHLLOKOSA-N 353.382 1.660 0 40 FDAB Cn1cc([C@H]2OCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2O)cn1 1614994497 SGONFDWPEBYCIW-BMIGLBTASA-N 371.846 1.835 0 40 FDAB O=C(O)C[C@@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 569482024 XCSYVJXVMPUMGF-JOYOIKCWSA-N 351.783 1.703 0 40 FDAB CCc1nc(C)cc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)n1 685940948 LLNXBWTXNMNDDN-BFHYXJOUSA-N 358.446 1.436 0 40 FDAB CC(C)C[C@H](NC(=O)CCCCC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)O 5632988 UQZBADFHPYULOV-KBPBESRZSA-N 372.462 1.778 0 40 FDAB CCc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N4CCOCC4)n3)C2)no1 12367283 SFVUJDVXFQWORJ-GFCCVEGCSA-N 373.413 1.199 0 40 FDAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 13340358 TUEJKXQCFXLLDU-JTQLQIEISA-N 367.832 1.523 0 40 FDAB CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 13999994 DVQDILSNMPOKSL-UHFFFAOYSA-N 361.379 1.891 0 40 FDAB CCCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17322341 GPFFYXFOMVLOFP-UHFFFAOYSA-N 368.499 1.947 0 40 FDAB O=C(CCn1cnnn1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 19293107 YEDOGZMYLHSPHW-UHFFFAOYSA-N 370.335 1.557 0 40 FDAB Cc1ccc(F)cc1S(=O)(=O)NCc1nccc(N2CCOCC2)n1 206722358 DMXBURBJHNMESJ-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)cc1 8105147 QLXIVLCHGFBIDL-PTNGSMBKSA-N 374.418 1.498 0 40 FDAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)c1C 512625893 QUNZTZGPARRELH-UHFFFAOYSA-N 360.395 1.737 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)CCC4CCCCC4)CC3)ncnc21 13532406 OLEXDCAIOBNSJN-UHFFFAOYSA-N 357.462 1.767 0 40 FDAB CCn1cnc2c(N3CCN(c4nc(C5CC5)ns4)CC3)ncnc21 1888897790 SFTFJXKUFYXPEW-UHFFFAOYSA-N 356.459 1.902 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 34287796 KQKWBQWQIAVCLZ-TZMCWYRMSA-N 350.415 1.800 0 40 FDAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 2037835898 GKTQXCJOCTVYSN-ZDUSSCGKSA-N 363.447 1.262 0 40 FDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1cccn(C)c1=O)C2 1565545869 MZWQNXUDAJENIE-UHFFFAOYSA-N 355.442 1.261 0 40 FDAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc2c(c1)OCCO2 4499747 WPUFQUYDXSNYDX-UHFFFAOYSA-N 370.390 1.592 0 40 FDAB O=C(COc1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 9828370 JTJVRJVGJRUBIH-UHFFFAOYSA-N 374.462 1.570 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(C)ccc1C 9827337 HMTNWIHYUTXGTJ-UHFFFAOYSA-N 362.455 1.469 0 40 FDAB COCCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@@H]21 2055746339 PTOYKKLQNMJVTN-GJZGRUSLSA-N 353.850 1.687 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC23CCN(C(C)=O)CC3)cc1C 21754437 VWXODAHTFOZGKT-UHFFFAOYSA-N 368.455 1.363 0 40 FDAB CCN1CCC[C@@H]1CNc1c(N2CCN(c3ccccc3)CC2)c(=O)c1=O 101697523 BRCNCWLGRKPIJM-QGZVFWFLSA-N 368.481 1.505 0 40 FDAB COc1ccc(Br)c(C(=O)NCc2nnc3n2CCC3)c1 32873609 ITRLUMILUFNFPB-UHFFFAOYSA-N 351.204 1.925 0 40 FDAB O=C(CSc1nnnn1C1CC1)NCCN1CCCc2ccccc21 53635828 ZJDUKMDEYAAIFS-UHFFFAOYSA-N 358.471 1.669 0 40 FDAB Cc1nc(C)c(CCC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)[nH]1 12458372 QYGUATQYRVFYJG-UHFFFAOYSA-N 354.454 1.664 0 40 FDAB Cc1c(C(=O)NCC(=O)NCC(F)(F)F)c(=O)oc2ccc(O)cc12 84067723 GJEAAEWLOCJTNB-UHFFFAOYSA-N 358.272 1.215 0 40 FDAB Nc1nonc1-c1noc(-c2ccccc2I)n1 1098009 YDRXKMOXZJLBGF-UHFFFAOYSA-N 355.095 1.973 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3OCC)nnc12 1419243 DGSCSUUWOCKSKT-UHFFFAOYSA-N 370.369 1.534 0 40 FDAB CN(CC(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ncccn1 23173506 CRAAGGRGEMCYFX-KRWDZBQOSA-N 370.409 1.056 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)[C@H](C)N1CCOCC1 104598569 VSWNJZYHXINCJN-LNLFQRSKSA-N 373.497 1.446 0 40 FDAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cnc3ccccc3n2)CC1 47636587 CAVDNBRIGUFKFS-UHFFFAOYSA-N 369.469 1.646 0 40 FDAB COC(=O)CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 12540474 WXLKXSYSPNWILA-UHFFFAOYSA-N 353.378 1.905 0 40 FDAB Cn1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 8077516 OUQNNGFLDRDHKI-UHFFFAOYSA-N 357.435 1.798 0 40 FDAB CC/N=c1\sc(C(=O)Nc2ccc(C(=O)OC)cc2)cc(=O)n1CC 1441777 LIXKBXJPLFJDMA-ZCXUNETKSA-N 361.423 1.889 0 40 FDAB CCC1(CC)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O 9368139 PVYIHYVNSJBITQ-UHFFFAOYSA-N 368.397 1.192 0 40 FDAB CCN(C(=O)[C@H](C)Sc1ncc2ccccn12)[C@H]1CCS(=O)(=O)C1 26591838 HTDYOJLNBHHKHC-JSGCOSHPSA-N 367.496 1.851 0 40 FDAB Cc1cc(C(=O)NC2CCN(C(=O)COc3ccc(F)cc3)CC2)no1 58202892 HTKCBIZTADSUQN-UHFFFAOYSA-N 361.373 1.922 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)Cc1ccccc1 48272248 IGQOUINMDYIBBQ-ZDUSSCGKSA-N 364.423 1.129 0 40 FDAB Cc1ccccc1C(=O)NC1CCN(C(=O)CSc2cn[nH]n2)CC1 97227663 AWATXKJMZATFIE-UHFFFAOYSA-N 359.455 1.626 0 40 FDAB O=C(Nc1cc(F)ccc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23039516 NITGMFXDCSSUBO-SNVBAGLBSA-N 371.365 1.069 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1sccc1S(=O)(=O)N1CCCCC1 10569279 VPYSFVCWMAYULV-SNVBAGLBSA-N 359.425 1.395 0 40 FDAB Cc1cccc(C)c1OCC(=O)NCc1ccc(CS(N)(=O)=O)cc1 10706156 REBVUESOXZAXPC-UHFFFAOYSA-N 362.451 1.787 0 40 FDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(I)cc1 3330402 UHUOZNJHZRBMFP-JTQLQIEISA-N 361.183 1.923 0 40 FDAB CCOC(=O)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3555164 WNULQOPHAUUOTK-UHFFFAOYSA-N 357.362 1.738 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1nc2ccccc2[nH]1 9156721 IZYVQTOLSISTTF-UHFFFAOYSA-N 357.395 1.109 0 40 FDAB Cn1ccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 84140047 RIPADYREPKLJRS-HNNXBMFYSA-N 361.490 1.353 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-n2cnnc2)c1 49547210 MDVYSTLVCOTVHB-UHFFFAOYSA-N 365.349 1.251 0 40 FDAB CCN(C(=O)COc1cc(OC)ccc1C(C)=O)[C@H]1CCS(=O)(=O)C1 5262057 WONZRNWUYAUGTF-ZDUSSCGKSA-N 369.439 1.312 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H](NC(C)=O)C(C)C)c1 14827988 GIKXGOCFDRLSJF-MRXNPFEDSA-N 369.487 1.816 0 40 FDAB CC(C)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc1 6760180 VUEXDJJFWROYAE-GJZGRUSLSA-N 361.467 1.929 0 40 FDAB CCOC(=O)CNC(=O)CNC(=O)c1ccc(OCCC(C)C)cc1 4844123 NTMKFTPZLPEQDD-UHFFFAOYSA-N 350.415 1.521 0 40 FDAB CC(C)(C)NC(=O)COc1ccc(CNCCCN2CCOCC2)cc1 6882414 UENLERAUIOUCPE-UHFFFAOYSA-N 363.502 1.792 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1ccc(Cl)s1 5875283 ZLQNOSYXHTUGPY-UHFFFAOYSA-N 370.814 1.992 0 40 FDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7054947 CSJYTXDTNNFURL-UHFFFAOYSA-N 366.464 1.884 0 40 FDAB NC(=O)c1ccc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 16809257 NBGWETNAQYACHR-UHFFFAOYSA-N 363.373 1.748 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCO3 16974958 WBDFDNZKUGTCAC-VIFPVBQESA-N 369.424 1.388 0 40 FDAB Cc1ccc(CC(=O)N[C@H]2CCc3ncc(C(=O)NC4CC4)n3C2)cc1 306133133 MCYKKSIUWFEPDS-INIZCTEOSA-N 352.438 1.757 0 40 FDAB O=C(Cn1nc(O)c2ccccc2c1=O)N(Cc1ccncc1)C1CC1 71836496 LNSOWKVZTFNOJL-UHFFFAOYSA-N 350.378 1.688 0 40 FDAB O=C1CCCN1C[C@H]1CC[C@@]2(COCCN(Cc3nccs3)C2)O1 306129350 IBDLVDIKCDLYGG-RHSMWYFYSA-N 351.472 1.516 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCN(CC(F)(F)F)CC1 19078715 IXNZLWJXUNPEFK-UHFFFAOYSA-N 366.390 1.560 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 95430233 KUQFCOYDXHYSAR-DOTOQJQBSA-N 350.459 1.515 0 40 FDAB Cc1ccccc1SCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 75572216 SLDNRPLCISHCMF-OAHLLOKOSA-N 370.540 1.664 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc21 61720740 UKFNFNYMWQBYBF-AGIUHOORSA-N 354.410 1.144 0 40 FDAB COCCNC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 67318027 PCJYAFINBGQSIJ-UHFFFAOYSA-N 368.393 1.692 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2nccnc2N)cs1 512497062 QELOHEKYHGGZQB-AAEUAGOBSA-N 364.450 1.508 0 40 FDAB C[C@H]1CCc2nc(NC(=O)CCn3cnc4c(cnn4C)c3=O)sc2C1 36648056 RRVGEJKBCFUYGZ-JTQLQIEISA-N 372.454 1.740 0 40 FDAB COc1cccc(-c2nnn(CC(=O)N[C@@H]3CCOc4ccccc43)n2)c1 72390370 RSNWREPQTLGRCK-MRXNPFEDSA-N 365.393 1.989 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3cccn3)nn1)CC2 70641260 VPVGCDJVIVANSI-UHFFFAOYSA-N 365.393 1.878 0 40 FDAB Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(-n2cnnc2)c1 70461839 HBAIGMGBPQTPRC-UHFFFAOYSA-N 366.400 1.951 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC(O)(c4cccnc4F)CC3)nc2n1 72340065 JJLLWXLZHGDOGO-UHFFFAOYSA-N 370.388 1.399 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)cc1 42122882 RBDNIBRAEOWFRI-UHFFFAOYSA-N 365.363 1.981 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1OC 226056717 YWHJWJDDCDSCCA-UHFFFAOYSA-N 358.460 1.487 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c1 224272665 PWQVIAGUMNFBGY-UHFFFAOYSA-N 364.427 1.895 0 40 FDAB COc1nc(C)c(NC(=O)COc2ccc(-n3cccn3)nn2)c(C)n1 224339593 MLHTYXPLSGRNPN-UHFFFAOYSA-N 355.358 1.095 0 40 FDAB Cc1ncoc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 330013357 MAUZQJMPSIPPFL-QGZVFWFLSA-N 368.437 1.719 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(Cc1nccs1)C2)NCc1ccccn1 96205836 MHAVZAGPKGSOMZ-KDOFPFPSSA-N 358.467 1.693 0 40 FDAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc(OC)c(F)c3)C[C@@H]2C1 96245458 BLHUHHPGHTVZCM-HUUCEWRRSA-N 364.417 1.678 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc(F)cn1)C2 96230457 GQFTZZVJZTZVOA-SFHVURJKSA-N 359.380 1.682 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(C)n([C@H](C)CC)n2)C1 330680777 FZNIEJSXTZYJSR-DGCLKSJQSA-N 357.480 1.708 0 40 FDAB CN1C[C@H]2CCN(C(=O)NCCc3ccccc3)CC[C@H]2S1(=O)=O 96145575 LAYYMFJUNQZLLV-HZPDHXFCSA-N 351.472 1.295 0 40 FDAB CC(C)OC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96040529 YIMNSVDWEPJQSS-GDBMZVCRSA-N 357.476 1.405 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2=O)n1 96224723 XCAKCIGLJRGNLI-OXQOHEQNSA-N 357.454 1.768 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CO)cc1 242750358 ZNPNBRPOGYECEM-IKGGRYGDSA-N 367.854 1.978 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230097 LPIZZOSOIWESIL-XTDOFWJNSA-N 372.352 1.801 0 40 FDAB Cc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)c([C@@H]2CCCN2C)n1 257216625 CVKZGQPEHKBOBC-KRWDZBQOSA-N 356.474 1.761 0 40 FDAB O=C1COc2ccc(S(=O)(=O)Nc3ccc(-n4cccn4)nc3)cc2N1 26539532 FMDXKNZBQTUQOG-UHFFFAOYSA-N 371.378 1.399 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257301784 RZWVBPZAVJXJMJ-HNNXBMFYSA-N 354.414 1.895 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)NCc2nccc(C(F)(F)F)n2)N1C1CC1 663232024 SOECBTPXEQBYNN-UWVGGRQHSA-N 358.320 1.192 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1 1775973904 JNRMXWRMHGLPBX-UHFFFAOYSA-N 368.455 1.006 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21)n1cnnn1 604403875 BDNXOPTXSDGRDR-PFFSRIRZSA-N 360.462 1.120 0 40 FDAB biogenic CCc1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n(C)n1 636160951 VMHJDAAYPPLBMH-MOPGFXCFSA-N 354.454 1.708 0 40 FDAB Cc1ccnc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)c1Br 643719278 YHCFWGWBGJDNDA-OAHLLOKOSA-N 356.264 1.962 0 40 FDAB COc1c(C)cnc(CN(C)C(=O)[C@@H]2Cn3c(C)nnc3CN2C)c1C 644325580 UFFDREVDQIWPJQ-HNNXBMFYSA-N 358.446 1.080 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377626 TZKKSTNBEMJYDS-UHFFFAOYSA-N 374.397 1.255 0 40 FDAB CCN1CCO[C@@H](CNC(=O)N[C@H]2CC[S@](=O)C2)[C@@H]1c1ccccc1 585098835 HBUIDSWAOYGHQL-YIUJLJBFSA-N 365.499 1.269 0 40 FDAB COc1cc(S(=O)(=O)N2CCN=C2C)c(OC)cc1Br 585145593 MCYOOIIETZNDNM-UHFFFAOYSA-N 363.233 1.889 0 40 FDAB CCc1nc(CNC(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)no1 585281546 ZCHWPBHGLGORSK-RKVPGOIHSA-N 358.442 1.520 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(-n3ccnc3)cc2)C1 685940337 FBENFKKQHXYLHX-RDJZCZTQSA-N 356.426 1.626 0 40 FDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 60064924 NFSLSQBZUTWAKR-HNNXBMFYSA-N 365.455 1.189 0 40 FDAB Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)OCO3)sc1C(=O)O 547552383 GEFWTYZNGJBYRI-UHFFFAOYSA-N 370.408 1.399 0 40 FDAB CNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 5294214 NDOWGYPTQUAHKJ-CYBMUJFWSA-N 360.439 1.469 0 40 FDAB O=C(CNCCCN1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 5000525 KTNKDGAVKBIZDJ-UHFFFAOYSA-N 361.364 1.836 0 40 FDAB OC[C@@H]1O[C@H](c2ccccc2)O[C@H]2[C@H]1O[C@@H](c1ccccc1)O[C@@H]2CO 5339433 WZACICAIHONNQP-XGXHKTLJSA-N 358.390 1.937 0 40 FDAB in-vitro NC(=O)NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 5949341 HUBNETMUUPYXBP-AWEZNQCLSA-N 365.411 1.020 0 40 FDAB CC(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 17127639 OQZXGXZHCDLWPZ-UHFFFAOYSA-N 360.863 1.747 0 40 FDAB Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19238290 YIWMBKNPKDGZFP-HUUCEWRRSA-N 354.458 1.594 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccc4c(c2)CCCO4)[C@@H]3C1=O 19527026 IGZBOWFVSHHOBF-NEYJZJCJSA-N 368.433 1.430 0 40 FDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929861 VJZDFIYCVHZTSP-UHFFFAOYSA-N 372.487 1.557 0 40 FDAB COc1cccc(N2C(=O)CN(CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 11983978 JLUNFUVHTWILEU-CVEARBPZSA-N 352.456 1.165 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NCc2nc(C3CCOCC3)no2)c1 575615852 GYMJKCDCXGDPHS-UHFFFAOYSA-N 355.420 1.220 0 40 FDAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCSCC1 1888850135 VNCFUEVPKCTTNA-LBPRGKRZSA-N 361.389 1.881 0 40 FDAB Oc1nc(N2CCN(c3ccc4nccn4n3)CC2)nc(C2CC2)c1F 1888897638 IGFXCRKPMYXYLW-UHFFFAOYSA-N 355.377 1.568 0 40 FDAB Cc1nccc(CN2CCC[C@@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)n1 2037873500 QOVBCIMGIJBOPW-SVFBPWRDSA-N 366.465 1.989 0 40 FDAB O=C1CCCN1CCC(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909258 JCEPRPYOZBCLNP-FQEVSTJZSA-N 360.454 1.822 0 40 FDAB CC(C)CNC(=O)c1cc2c(CNC(=O)c3cc[nH]n3)nn(C)c2s1 1565544958 AXAMSOYLPUHJHE-UHFFFAOYSA-N 360.443 1.674 0 40 FDAB CC(C)Cc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1 4271713 OYUBKWRMJYTDLM-UHFFFAOYSA-N 371.466 1.913 0 40 FDAB O=C(Nc1cccnc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCOCC2 2055796210 RNNIFVFGGNIBBW-OAHLLOKOSA-N 365.455 1.241 0 40 FDAB COc1ncccc1C(=O)N1CCC(C(=O)N(C)C)(n2cccn2)CC1 2055772761 ZUGGFRZNDSTGLJ-UHFFFAOYSA-N 357.414 1.006 0 40 FDAB O=C(NCCN1CCC(O)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 206609599 FCJUDWACSBRPOA-UHFFFAOYSA-N 359.348 1.217 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCC[C@@H](CCO)c2cccs2)CC1 575606629 IMTCABHZZOZFAR-ZDUSSCGKSA-N 374.528 1.392 0 40 FDAB COc1ccccc1C(=O)N1CC[C@@H](c2nn(CCN)c3nccnc23)C1 19568595 KXUFVDLACRTJEB-CYBMUJFWSA-N 366.425 1.423 0 40 FDAB COc1cc(C(=O)N[C@H]2CCc3nc(C)ncc3C2)cc2c1OCCO2 30387971 OIKOIXOGXFQKRX-AWEZNQCLSA-N 355.394 1.852 0 40 FDAB C[C@@H](OC(=O)Cc1cccs1)C(=O)N1CCN(c2ncccn2)CC1 22486155 YGXBFHHBGBPBQN-CYBMUJFWSA-N 360.439 1.361 0 40 FDAB CC[C@@H](CO)n1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 12418844 DQFLVWTXOZREKX-ZDUSSCGKSA-N 357.410 1.658 0 40 FDAB CN1C[C@@H](NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CCC1=O 78840588 ZRFNWTNFDFVFSV-KRWDZBQOSA-N 357.454 1.844 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(C)c2)C1=O 3369291 NPELRMIHESSFBH-UHFFFAOYSA-N 361.398 1.587 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 3903502 KWCBKJHLPZHEKH-OIPACUDHSA-N 350.367 1.081 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1cccnc1 61721902 ZZWVOQLQLAKONZ-INIZCTEOSA-N 367.453 1.618 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2F)CC1 6909588 AZWTVZFWHVAZAV-UHFFFAOYSA-N 366.396 1.954 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)cc1S(C)(=O)=O 55794374 XWWPSQZVHOVYEN-QGZVFWFLSA-N 374.462 1.958 0 40 FDAB CCN1CCOC[C@@H]1C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 95461540 ASXUNFRFIPSUKC-OAHLLOKOSA-N 350.806 1.685 0 40 FDAB O=C(CNC(=O)NCCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1 54649742 ZOGVEPDPIIMGTF-UHFFFAOYSA-N 366.849 1.980 0 40 FDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2F)n1 12555327 GYMYRCORWGGTQH-UHFFFAOYSA-N 373.207 1.985 0 40 FDAB O=S(=O)(NC[C@H]1CCCNC1)c1ccc(F)cc1Br 44502519 YACFYVLJWJLGGT-VIFPVBQESA-N 351.241 1.866 0 40 FDAB CN1CCN(C(=O)C2CCN(C(=O)Cn3ccc4ccccc43)CC2)CC1 58203540 DGXDWUHCRNMBQN-UHFFFAOYSA-N 368.481 1.654 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccnc3)C2=O)cc1 24332593 IKVAZNSSPKBUFG-GOSISDBHSA-N 354.366 1.496 0 40 FDAB CN(c1ccc(OCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 101695862 JOUBMHRETJFDSD-XJKCOSOUSA-N 352.456 1.766 0 40 FDAB COc1ccc(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 10518802 XMUHONHXOPLFOE-UHFFFAOYSA-N 368.436 1.094 0 40 FDAB COc1cccc(CN[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 58165421 HEGDUYWYDDOXGV-LBPRGKRZSA-N 363.439 1.459 0 40 FDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc2c(c1)OCCO2 12751975 ZOCFXPBXTSEBBG-MRXNPFEDSA-N 371.389 1.606 0 40 FDAB Cc1cc(C)n(CC(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)n1 11352938 DULIENKSXQBZBM-UHFFFAOYSA-N 370.409 1.809 0 40 FDAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2cnccn2)CC1 11546265 NDBUTSDXPNZGQX-SFHVURJKSA-N 373.501 1.846 0 40 FDAB N=C(NC1=N[C@@H](CC(=O)Nc2cccc(F)c2)C(=O)N1)Nc1ccccc1 20799019 NOAVMPJKCJBJBN-AWEZNQCLSA-N 368.372 1.645 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)ccn1 48304234 CQTBBMNAPWNBQR-UHFFFAOYSA-N 374.404 1.671 0 40 FDAB CN(Cn1nc(-c2ccccc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12813262 JGAVPHADXHNOAI-CYBMUJFWSA-N 352.485 1.694 0 40 FDAB Cc1ccc(Cn2nc(C)c(CNC[C@H](O)CN3CCOCC3)c2C)cc1 12943610 NSKXBBAMUTZZFC-FQEVSTJZSA-N 372.513 1.639 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)cc1 13598167 PGCNCDXKSPIJDF-UHFFFAOYSA-N 350.378 1.942 0 40 FDAB O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9305327 PXLITZFEAPENQV-INIZCTEOSA-N 359.451 1.799 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC12CC3CC(CC(C3)C1)C2 4502894 NCDCSLQLANOYRS-UHFFFAOYSA-N 374.462 1.916 0 40 FDAB O=C(NCCCCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1 4765473 BMXCDARMXIPBOS-UHFFFAOYSA-N 358.398 1.608 0 40 FDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1OC 4854779 XVXJJINWCPKZAT-PXAZEXFGSA-N 373.409 1.333 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 6936884 RRCZYJHNOHVDAF-UHFFFAOYSA-N 370.361 1.370 0 40 FDAB O=C(CNC(=O)C[C@H]1Sc2ccccc2NC1=O)NCc1ccco1 7952803 CWEWFUNVZHNGIS-CQSZACIVSA-N 359.407 1.515 0 40 FDAB NC(=O)CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 95459257 OFSDHNIMCLMEGH-HNNXBMFYSA-N 373.478 1.861 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1csc(NCCC(C)C)n1 8762701 NQLJJNXHPVUIKW-UHFFFAOYSA-N 372.447 1.230 0 40 FDAB COc1ccsc1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1 83984410 XDDLZXIUEXXKJU-UHFFFAOYSA-N 350.425 1.816 0 40 FDAB Cc1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)sc1Br 94541313 NLPIEQJRKYJMFZ-UHFFFAOYSA-N 352.275 1.964 0 40 FDAB Cc1nc2ccccc2n(CCCNC(=O)CNC(=O)C(C)(C)C)c1=O 95456638 JWQNUIJOWZHYDC-UHFFFAOYSA-N 358.442 1.374 0 40 FDAB CCc1ccc(-n2nc(C(=O)N[C@@](C)(COC)C(N)=O)c3c2CCC3)cc1 95958619 UPXMYMHKSQMRME-FQEVSTJZSA-N 370.453 1.544 0 40 FDAB COc1ncccc1C(=O)N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95998245 PSKABSYAQUBLKI-INIZCTEOSA-N 360.458 1.247 0 40 FDAB O=c1[nH]c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc2ccsc12 85878037 XVGKXIMOGBSQGX-NEPJUHHUSA-N 354.435 1.766 0 40 FDAB biogenic Cn1cc([C@@H]2NC(=O)CC[C@@H]2NC(=O)c2ccc(NC3CC3)nc2)cn1 75105281 ZHAYZMCXUPNHFM-YOEHRIQHSA-N 354.414 1.139 0 40 FDAB CC(C)n1nc2n(c(=O)c1=O)CCC21CCN(Cc2nccs2)CC1 306131694 KMURSVJECXTDAK-UHFFFAOYSA-N 361.471 1.380 0 40 FDAB COC[C@H]1CN(CC(C)C)CC12CCN(c1ccc3nncn3n1)CC2 306144935 ZSQJJACYWZOJKA-MRXNPFEDSA-N 358.490 1.945 0 40 FDAB O=C(N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1c[nH]nc1C1CC1 502307432 UGRVZMDYBKCJOY-QAPCUYQASA-N 351.410 1.917 0 40 FDAB Cc1ccnc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1 306130286 JBHPEYPCIHJEAD-OAHLLOKOSA-N 363.425 1.761 0 40 FDAB CC(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n(-c2ncccn2)n1 518190807 OEJBCPGMQSODIG-GFCCVEGCSA-N 354.414 1.735 0 40 FDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnc(C)cn1 72324298 FLHLOFJRIKYXFZ-NSHDSACASA-N 359.411 1.872 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]2c3ccccc3CCN12 36071048 NWFVCBCXOFZIGV-KRWDZBQOSA-N 360.410 1.956 0 40 FDAB Cc1cc(-c2cnc(N3CCN(S(C)(=O)=O)CC3)nc2C2CC2)on1 72340349 JHOPDMNPUQIEQV-UHFFFAOYSA-N 363.443 1.399 0 40 FDAB N[C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 562758942 VGHMBXQMWNVXOD-FZMZJTMJSA-N 373.379 2.246 0 40 FDAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3cccnc3)c(=O)c1n2C 72335328 ADIQVGFCLGDYKO-UHFFFAOYSA-N 351.366 1.501 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326663 FEYYPRTUYZOUDV-RNODOKPDSA-N 371.437 1.575 0 40 FDAB COc1ccc(CCNC(=O)c2cc(N3CCOCC3)on2)cc1OC 224071917 BNJDMPXGSRKVAS-UHFFFAOYSA-N 361.398 1.501 0 40 FDAB CNC(=O)N1CC[C@@]2(COCc3c(C)nc(NCc4ccco4)nc32)C1 96244639 JMKQSGAAMBKAMV-SFHVURJKSA-N 357.414 1.803 0 40 FDAB O=C(c1cnccn1)N1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 96160926 ATEWSXGZZABRSH-DNVCBOLYSA-N 354.410 1.962 0 40 FDAB CCOC(=O)c1csc(NC(=O)c2cnc3sc(C)cn3c2=O)n1 95472474 VENWXVHXFCDKLF-UHFFFAOYSA-N 364.408 1.950 0 40 FDAB CCS(=O)(=O)C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](CO)O1 96531872 VYUZKEBERYHQRT-MFKMUULPSA-N 355.239 1.989 0 40 FDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)c3cccnc3)C2)C1 96225859 KFBJQSPJLSISRM-GOSISDBHSA-N 354.366 1.352 0 40 FDAB CO[C@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H]2CN(CC3CC3)C[C@H]12 96109448 ZYVPNGOWHSKRSE-BBWFWOEESA-N 351.472 1.201 0 40 FDAB O=C(N[C@H]1COC2(CCN(C(=O)c3cscn3)CC2)C1)c1ccccn1 96221108 IWHFSJGGACBCDV-CYBMUJFWSA-N 372.450 1.732 0 40 FDAB Cc1noc(C)c1Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O 98213077 DYLKQZOTYQTRJB-UHFFFAOYSA-N 371.372 1.493 0 40 FDAB O=C(CCCNc1ncccn1)N1CCN(CCc2ccncc2)CC1 95480874 RRFZQIYULMEUIR-UHFFFAOYSA-N 354.458 1.451 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@@H]1c1ccnn1C 583620999 GKMIDZSULQHSAT-SCLBCKFNSA-N 356.474 1.835 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1 96042720 KBRGCXUNSWWPBW-IPMKNSEASA-N 359.470 1.604 0 40 FDAB CN(C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2cncn21 248112238 KKAONOGYZHEWIE-INIZCTEOSA-N 356.426 1.803 0 40 FDAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 245237255 HCKKMJPHOLLAJH-HOTGVXAUSA-N 368.499 1.340 0 40 FDAB CN(C[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1)S(C)(=O)=O 585084530 OPTOQXODOFJHET-CYBMUJFWSA-N 352.460 1.773 0 40 FDAB Cc1c(CCC(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)cnn1C 257286610 PMFMIQBXASHNNQ-ZHALLVOQSA-N 358.442 1.485 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)N3CCCN(C)CC3)nc(C)n2)CC1 257251915 JSVUCJSYTSSDMH-UHFFFAOYSA-N 373.501 1.463 0 40 FDAB COc1cccc(O[C@H]2CCN(C(=O)c3cnc(C)nc3)CC[C@@H]2O)c1 257335811 YLZQQLMKQBRJGI-ROUUACIJSA-N 357.410 1.838 0 40 FDAB Cc1noc([C@H]2CN(C(=O)c3cnn(C)c3-n3cccc3)C[C@@H](C)O2)n1 628856978 LOVGNKGBLIKQJU-BXUZGUMPSA-N 356.386 1.504 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cn(C)nc2-c2ccncc2)C1 643755439 UVSQPIRBTQDEGO-LJQANCHMSA-N 357.458 1.287 0 40 FDAB O=C(O)C[C@]1(C(=O)O)CCN(S(=O)(=O)c2csc3ccccc23)C1 285251185 URINJEZGHDTRGD-OAHLLOKOSA-N 369.420 1.841 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1cccc(OCC(N)=O)c1 657378881 NSQALMLTLBFONQ-HNAYVOBHSA-N 358.442 1.542 0 40 FDAB C[C@@H](C(=O)NCc1nc(O)cc(CN)n1)c1ccc(Br)s1 662750929 PTIUNSYYTURJCF-SSDOTTSWSA-N 371.260 1.885 0 40 FDAB CCSCCC(=O)N(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1614701985 OCNARBHELUDOLK-UONOGXRCSA-N 355.504 1.105 0 40 FDAB O=C(NCc1cccc2occc12)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 606444726 YEWARUSWCHECIY-DLBZAZTESA-N 358.394 1.455 0 40 FDAB Cn1cnc2c1C[C@H](COCc1ccncc1)N(C(=O)c1cocn1)C2 585094904 SZWYEUQUKUCBQX-CQSZACIVSA-N 353.382 1.587 0 40 FDAB CN1C[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ccncc1)C2 585093882 MNQXLSHETPOYIS-KRWDZBQOSA-N 352.438 1.840 0 40 FDAB CO[C@@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1Cc1ccc(F)cc1 585278912 IQBVKYLGSUQKSJ-SJLPKXTDSA-N 350.434 1.564 0 40 FDAB CC(=O)N1CCC(N2CCO[C@](CO)(Cc3cccc(F)c3)C2)CC1 1615143943 RYMYQKSVHAQNST-LJQANCHMSA-N 350.434 1.442 0 40 FDAB O=C1N[C@@]2(COC3(CCN(C(=O)[C@@H]4CCCO4)CC3)C2)Nc2ccccc21 12085431 UJSNMESCXDBJHA-JXFKEZNVSA-N 371.437 1.499 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3ccc(=O)n(C)c3)cc2n1 12161196 HFCAQPGJKDSZAE-HNNXBMFYSA-N 367.409 1.809 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 14162893 FXOLBQXCYHZAPZ-NDMCSZBLSA-N 351.443 1.497 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCOC)cc1Cl 16692524 MERKEAPYMZUQNR-UHFFFAOYSA-N 364.851 1.122 0 40 FDAB CN1CCCc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc21 19716106 SFBIKZNSIPLTBV-UHFFFAOYSA-N 352.398 1.151 0 40 FDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)N[C@H](C)c1cnn(C)c1C 19716660 APKZEEDIWQVBDV-SSDOTTSWSA-N 357.461 1.356 0 40 FDAB Cc1cccc(CNC(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)n1 19750748 HGXNAAQFRGGMLS-UHFFFAOYSA-N 354.410 1.008 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC(Cc2cc(N(C)C)nc(C)n2)CC1 19758687 LGEKOZAVVWCCQE-UHFFFAOYSA-N 369.535 1.692 0 40 FDAB CN(C)C(=O)c1ccc([C@@H]2CCCN(CC(=O)Nc3ccccn3)C2)nc1 19767354 OIYDGQIULWWUQR-MRXNPFEDSA-N 367.453 1.997 0 40 FDAB COC(=O)C(NC(=O)OCc1ccccc1)=C1CCS(=O)(=O)CC1 200700729 FVGVFJSQRMHNFK-UHFFFAOYSA-N 353.396 1.549 0 40 FDAB O=C(c1ccnc(O)c1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643586014 OJOPGFYWJXAMRD-IDHHARJASA-N 358.369 1.686 0 40 FDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2cccc3nccn23)C1 583619634 PQDDMZIYDCWQKN-OCCSQVGLSA-N 352.398 1.932 0 40 FDAB COc1ccnc(N2C[C@H]3CN(c4ncnc5cc(C)[nH]c45)C[C@@H]3C2)n1 1888879274 PFJXKERLXZMBHU-CHWSQXEVSA-N 351.414 1.638 0 40 FDAB Cc1ccccc1C(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888890188 USPQVUFJOOZOQW-IYBDPMFKSA-N 362.437 1.950 0 40 FDAB Cc1cc2c(N3CCN(c4cc(N5CCCC5)ncn4)CC3)nccn2n1 1889146266 YHAYIVGHZSVPLJ-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB O=C(NCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1F 23701443 CKZRBJOWTZAGQQ-UHFFFAOYSA-N 369.440 1.942 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841164 YVCHCFFDLBQCFF-FQEVSTJZSA-N 366.421 1.905 0 40 FDAB Cc1ncc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)c(C)n1 2056224780 VHUQUKMFHYLRMR-INIZCTEOSA-N 369.494 1.978 0 40 FDAB Cn1cc(-c2ccc3c(c2)[C@@]2(CCN(C(=O)c4ncn(C)n4)C2)CO3)cn1 1614937271 LYBAPCNVDBIMRF-LJQANCHMSA-N 364.409 1.392 0 40 FDAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)nn1 1565544083 HFDIPNLWXIISKK-QXOCSCLMSA-N 372.469 1.123 0 40 FDAB COc1cc([C@@H](CC(=O)O)NC(=O)c2ccccc2)ccc1OCC(N)=O 4581219 ZAEBZYUWWUPBFR-CQSZACIVSA-N 372.377 1.505 0 40 FDAB Cc1cccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)c1 11743836 OTYJDFKSNWSEQN-UHFFFAOYSA-N 370.434 1.592 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 2055812514 JFIRWBSONGSGNR-VQTJNVASSA-N 371.485 1.416 0 40 FDAB C[C@@H]1Cc2ccc(-c3cc(CNC(=O)c4ccc(=O)n(C)n4)no3)cc2O1 38755394 AELOHEINRLQCHB-LLVKDONJSA-N 366.377 1.689 0 40 FDAB Cc1cc(OC2CN(C(=O)COc3ccc(F)cc3)C2)n2ncnc2n1 618256521 TXYONZVYKYIRGJ-UHFFFAOYSA-N 357.345 1.240 0 40 FDAB Cn1cc(/C=C/C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cn1 30257042 JOQHABVXMTXMLU-FARCUNLSSA-N 357.389 1.949 0 40 FDAB Cc1cc(OCC(=O)N2CCN(C)CC2)c2c3c(c(=O)oc2c1)CCC3 20266977 YQELIMATSYTRAI-UHFFFAOYSA-N 356.422 1.743 0 40 FDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 32768933 AHNRLFPRNYSIRG-INIZCTEOSA-N 373.453 1.319 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F 32776183 JYQWYJKCTGNWCI-BXUZGUMPSA-N 372.418 1.428 0 40 FDAB Cc1nc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)n(C2CC2)c1C 32894138 WFHFYEPFHWBMSY-OAHLLOKOSA-N 357.501 1.620 0 40 FDAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCOCC1 32980139 OYBODJKJHMEWTG-OAHLLOKOSA-N 352.456 1.162 0 40 FDAB COc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1OC 1223091 DNYVQIAEDKAFGE-UHFFFAOYSA-N 359.411 1.735 0 40 FDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1ccc2c(c1)OCCO2 23173335 AXIHFPCJQBCADH-LBPRGKRZSA-N 372.381 1.254 0 40 FDAB O[C@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@@H]1CCCO1 79076649 VNOPHRLKZSECQJ-MSOLQXFVSA-N 354.454 1.806 0 40 FDAB CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 54950341 JRHZZSILXVSDSG-KRWDZBQOSA-N 374.466 1.855 0 40 FDAB CNC(=O)C1(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 106016393 LRESRSKZRZRRGS-UHFFFAOYSA-N 351.397 1.572 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 6913850 LVWPKPGSTLPUTK-UHFFFAOYSA-N 373.434 1.655 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(Cl)cc2O)CC1 7199411 IEGBMZZDJZNFAT-UHFFFAOYSA-N 355.774 1.614 0 40 FDAB Cc1ccccc1CNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 7945621 DYAKVGTYVKWTAZ-UHFFFAOYSA-N 365.389 1.602 0 40 FDAB Cc1c([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)cnn1C 25004599 PAMWJXJFCPBVPM-NWDGAFQWSA-N 354.414 1.244 0 40 FDAB COCCNC(=O)CN(C)c1nc(-c2ccncc2)nc2ccccc12 25165349 BERRQLLEAZGNGB-UHFFFAOYSA-N 351.410 1.891 0 40 FDAB CCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 8720052 DFDXYXCUEKXNGJ-UHFFFAOYSA-N 366.487 1.673 0 40 FDAB Cc1c(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cnn1C 57280232 OKDLSMSCZMFFJB-UHFFFAOYSA-N 362.455 1.461 0 40 FDAB CCN(CC(=O)NC)C(=O)c1cc(Br)c2c(c1)OCCO2 58268621 KVYMORRENJZATG-UHFFFAOYSA-N 357.204 1.428 0 40 FDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(C)C)cc1 107799989 XEMVNHOPHUXCQC-IAGOWNOFSA-N 366.483 1.820 0 40 FDAB COc1ccc(C(=O)c2c(N)c(C(=O)NCCO)c3ccccn23)cc1 28047454 XDGFSEWVZJAOQH-UHFFFAOYSA-N 353.378 1.483 0 40 FDAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 2236790 KPDTVDDAFSQRNC-VHSXEESVSA-N 359.455 1.965 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 2204244 SUPJGTDMYALNEY-UHFFFAOYSA-N 362.363 1.704 0 40 FDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC(NS(C)(=O)=O)CC1 11104448 MCHMSXLMZBGHCM-LLVKDONJSA-N 359.879 1.681 0 40 FDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)/C=C/c2cccs2)C[C@@H](C)O1 29188384 HKECPTOHFRWIKN-FBVTZJDUSA-N 358.485 1.317 0 40 FDAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)COC)S(C)(=O)=O 22252327 LJDILTINGDACJW-LLVKDONJSA-N 374.459 1.254 0 40 FDAB CNC(=O)c1nn(CN2CCc3sccc3C2)c(=O)c2ccccc12 12944562 QRHVYNAXVYIBFB-UHFFFAOYSA-N 354.435 1.833 0 40 FDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCc2nnc3n2CCC3)c1C 13252551 AXINKHGZIFYIPH-UHFFFAOYSA-N 350.400 1.018 0 40 FDAB O=C(Cc1ccccc1)N[C@H](CCCCCCP(=O)(O)O)C(=O)O 4029318 HBUPUMASTIWYOX-CQSZACIVSA-N 357.343 1.927 0 40 FDAB biogenic CCSc1nnc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)s1 49580977 GFBRDJIXMALQDR-CYBMUJFWSA-N 355.445 1.309 0 40 FDAB COc1ccc(OC)c2c1cc(C(=O)NCC(=O)Nc1ccccn1)n2C 13684155 NADRSBQOTGKDAX-UHFFFAOYSA-N 368.393 1.959 0 40 FDAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1C 4314483 QVWVEGCPCJGCLG-UHFFFAOYSA-N 351.410 1.546 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14182875 XJGJWRSHMXOQIO-CYBMUJFWSA-N 363.433 1.709 0 40 FDAB CCc1ccc(OC[C@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 14202073 UUCNINGIJJPKOI-MJGOQNOKSA-N 362.470 1.312 0 40 FDAB COC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C)c1Br 95447095 VLCCAUCERGWJGT-UHFFFAOYSA-N 367.177 1.005 0 40 FDAB CC(=O)N1CCN(C(=O)CN2CCC(N(C)c3ccccc3)CC2)CC1 65956798 SMZUNIPXDSLYNQ-UHFFFAOYSA-N 358.486 1.278 0 40 FDAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCCCO 4805002 XINIELPKPQCNFJ-VKAVYKQESA-N 354.406 1.965 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)n3ccsc3n1)CS2 5876121 KUJCMUBRJUHYOX-BMIGLBTASA-N 365.436 1.253 0 40 FDAB CC(=O)NCc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)s1 67067399 TWAZSTPLWXWTLA-UHFFFAOYSA-N 366.464 1.718 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)CCNc1nc(Cl)nc2[nH]cnc12 9420977 QSAQCIMMGQNKCB-SNVBAGLBSA-N 351.842 1.409 0 40 FDAB Cc1c(Cl)c(Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc12 7064834 DIJXQNAUBIJKAF-UHFFFAOYSA-N 369.812 1.992 0 40 FDAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7931299 KWGRUDPUXIWLSE-VIFPVBQESA-N 358.354 1.899 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@H]4C=C[C@@H]3C4)n2)n1 170612065 GEQSWXYVEMWUJG-ARFHVFGLSA-N 353.426 1.374 0 40 FDAB CCn1cnnc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 83843663 HUDLATKCTWBPHE-HZPDHXFCSA-N 359.430 1.332 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)NCc1ccccc1 69923165 PXJIZPUFYIVHAA-UHFFFAOYSA-N 350.419 1.127 0 40 FDAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)NCc1ccc2c(c1)OCO2 8883301 UADBVMVZIYNHBR-LBPRGKRZSA-N 367.365 1.475 0 40 FDAB CC(C)C(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306143904 YQKMMIHWUKFZIZ-AWEZNQCLSA-N 352.456 1.270 0 40 FDAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(N)=O)n2C)C(C)C)c1 409157491 JGPRBPRSTSQMMI-CQSZACIVSA-N 361.471 1.828 0 40 FDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cncc(N2CCOCC2)c1 548727230 DFDFUDRKVFTCSG-CQSZACIVSA-N 371.441 1.798 0 40 FDAB O=C(/C=C/c1ccc(O)cc1)N[C@H](CC[n+]1cccc(C(=O)O)c1)C(=O)O 77257588 MAGGNDAVKNPXCA-MRXNPFEDSA-O 371.369 1.051 0 40 FDAB biogenic,in-vitro Cc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)o1 72335564 HBYWIKIMXTYUFC-OKILXGFUSA-N 358.442 1.843 0 40 FDAB CC[C@H](C)[C@H](NC(=O)[C@H](N)[C@@H](C)CC)C(=O)N[C@H](C(=O)O)[C@H](C)CC 39945330 BBQABUDWDUKJMB-SAAWNECCSA-N 357.495 1.506 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc([C@@H]2CCCO2)s1 71284107 PAPHJGMMHGJBME-LBPRGKRZSA-N 373.394 1.845 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)NC(=O)OC(C)(C)C 218654162 DGZCAZJPMKCEAP-CKEIUWERSA-N 372.462 1.948 0 40 FDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCCC2)cc1 44841071 IHIGVIIXYFGLQA-UHFFFAOYSA-N 368.503 1.145 0 40 FDAB O=C1CC[C@@H](NC(=O)Cc2nsc3ccccc23)[C@@H]([C@@H]2CCCO2)N1 573713108 KMVFEFZNQDYBOO-IAISJRAMSA-N 359.451 1.781 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 80319250 JRPMIJCHQNZKEC-NSHDSACASA-N 359.879 1.217 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95473278 NRQXPCANDDLUKR-LBPRGKRZSA-N 352.398 1.905 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C(=O)c3cnccn3)C2)C1 96047087 HEGPXTWYJXQTQK-SFHVURJKSA-N 352.398 1.035 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076542 JNJKXAMBMMAECI-GOSISDBHSA-N 354.414 1.026 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1CN(Cc2cccnc2)Cc2cncn21 247496620 OJQRDEBVVHCIDG-GOSISDBHSA-N 355.442 1.378 0 40 FDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCCN(C[C@H]2CCCO2)CC1 245225110 MUWDINCANWTOCR-OAHLLOKOSA-N 360.426 1.840 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)C1 249381556 BERWYFHREGPXLH-JJRVBVJISA-N 360.458 1.345 0 40 FDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 257228478 FUBBZOJFQMLZBG-KRWDZBQOSA-N 354.410 1.394 0 40 FDAB CCn1cc(CN2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257305429 SPYOZVZCFZZZME-ZDUSSCGKSA-N 351.476 1.484 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257211143 BXRBMUGGQJJTCO-HNNXBMFYSA-N 352.460 1.522 0 40 FDAB COc1ccccc1CC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 264822301 HNQXSIMBSLVQSB-UHFFFAOYSA-N 359.426 1.418 0 40 FDAB CO[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1c1cnn[nH]1 625489143 MEYLMMBMVIBOFO-IINYFYTJSA-N 353.785 1.650 0 40 FDAB Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CNC[C@H]3c3cncn3C)cc2)c1 1615589085 GHEBSJQTNSZFGW-FUHWJXTLSA-N 364.453 1.647 0 40 FDAB Cc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ncc1Br 643719184 UYGPFQPSRQDEKN-HNNXBMFYSA-N 356.264 1.962 0 40 FDAB Cc1oc2ccccc2c1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C 644429719 FGLSIDZUZZMWDL-CYBMUJFWSA-N 350.440 1.476 0 40 FDAB O=C(O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCOc2ccc(F)cc21 645957697 YWHLPEVXGCLRIN-CHWSQXEVSA-N 358.391 1.423 0 40 FDAB O=C(O)COc1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 659760792 RQLACYRUMSLUBV-RHSMWYFYSA-N 363.410 1.448 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 96026059 IMHUTYMZWDSUHN-CYBMUJFWSA-N 367.427 1.168 0 40 FDAB CO[C@@](C)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F 96123512 OUFVGIQSAYBYTI-KRWDZBQOSA-N 372.462 1.475 0 40 FDAB Cc1noc(CCC(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)n1 585277521 ICNOOSOSXPSQDR-LJQANCHMSA-N 359.426 1.452 0 40 FDAB Cc1c(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)cnn1C 585098403 XMRZNBIHVOIFHI-QGZVFWFLSA-N 353.430 1.569 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)Cc3ccncc3)C2)c1 585278320 RVPNNPDENLBARE-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c1 585098644 ZWYIEDAHRDDUIT-MRXNPFEDSA-N 355.442 1.333 0 40 FDAB CCc1cccc(OCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685941839 CHQNGRUUDHJFLP-ZMSDIMECSA-N 358.442 1.427 0 40 FDAB CC(=O)c1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 32907371 AGTBDSCPTJIPRI-SJLPKXTDSA-N 361.442 1.748 0 40 FDAB Cc1cc(OC[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ccn1 1776001188 DDFTVAHFIHEATF-AWEZNQCLSA-N 350.444 1.603 0 40 FDAB CC(=O)NCCC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 55784421 RMDHSTMLMJAZFA-SECBINFHSA-N 371.231 1.924 0 40 FDAB O=C(OC1(C(F)(F)F)CCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 95467960 SOQFRUYGTOFSRD-UHFFFAOYSA-N 350.318 1.512 0 40 FDAB NC(=O)c1ccc(N2CCN(C(=O)c3nnc4ccccc4n3)CC2)cc1 555033311 ONEKUOYACYWSHS-UHFFFAOYSA-N 362.393 1.086 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)NC1CCCCC1 1547201253 SVWKAWJQFVPQAZ-UHFFFAOYSA-N 373.388 1.621 0 40 FDAB COC(=O)Cc1cc(O)nc(S[C@@H](C)C(=O)NCc2ccccc2)n1 5117658 IXPJFCWYRMYPOH-NSHDSACASA-N 361.423 1.695 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12144569 RPYLXCHGABYAAM-AWEZNQCLSA-N 359.474 1.129 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)c3ccnn3C)nc12 12146418 ADIXRUMROVWCPW-ZDUSSCGKSA-N 364.409 1.510 0 40 FDAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nonc1C 12185209 MTKIBAOSYALIMO-LBPRGKRZSA-N 373.438 1.801 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(N)nc2c(c1=O)CC[C@@H](C)C2 12240154 SCSIMQIZTHPCCX-OLZOCXBDSA-N 352.438 1.928 0 40 FDAB CC(C)c1cn(CC(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)nn1 19453434 ZAYAEYNGWXLVMT-INIZCTEOSA-N 355.442 1.361 0 40 FDAB CCN1CCN([C@@H](c2ccccc2)c2nnnn2C[C@H]2CCCO2)CC1 19528054 HAPKXBOUGPLNIF-MSOLQXFVSA-N 356.474 1.579 0 40 FDAB CC(=O)N1CCc2nnc(C3CCN(C(=O)CC4CCCC4)CC3)n2CC1 19709451 QECKGEHQVCXCOR-UHFFFAOYSA-N 373.501 1.969 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CC(Cn4cc(C)cn4)C3)CC2=O)cc1 1848634550 XNIIMUBDOKMNHZ-INIZCTEOSA-N 368.437 1.712 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)CCC(F)(F)F)C[C@@H]4C3)nn12 1888843493 DNHUTWOPKHPUPL-RYUDHWBXSA-N 368.363 1.670 0 40 FDAB Cc1csc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)n1 23137028 IVJCDWWEEYNBFY-JTQLQIEISA-N 366.468 1.749 0 40 FDAB CC(=O)N1CCN([C@H]2CCC[C@H](Oc3ccccc3)[C@@H]2O)C[C@H](CO)C1 2037957025 RVKXTPPVGCDMHB-BTHPGYMESA-N 362.470 1.120 0 40 FDAB Cc1ncc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3C2)cn1 2056224842 YQMCEUHZNHMBDH-HOTGVXAUSA-N 359.455 1.275 0 40 FDAB Cc1ccc2[nH]c(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)nc2c1C 1101492 BPSFWYNIWSNFRW-UHFFFAOYSA-N 370.438 1.615 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)NCCCN3CCCCC3)CC2=O)cc1 4373627 BHBVSSRYFPWTGQ-INIZCTEOSA-N 374.485 1.976 0 40 FDAB COC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(=O)n(C)c2n1 4751572 YQGXUNLGJRJGIP-UHFFFAOYSA-N 371.349 1.093 0 40 FDAB CCOC(=O)c1ccc(NC(=O)C[C@@H](NCCCOC)C(=O)O)cc1 4939604 RVCZNMFPWOPFIK-CQSZACIVSA-N 352.387 1.271 0 40 FDAB CCCc1cc(=O)n(CC(=O)NCc2ccco2)c(-n2nc(C)cc2C)n1 5254765 GRGSKWHVEIFFEY-UHFFFAOYSA-N 369.425 1.908 0 40 FDAB Cc1cccc(OCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1 10250880 RDEUSULURLCECC-UHFFFAOYSA-N 355.398 1.806 0 40 FDAB COc1cc2oc(=O)cc(C)c2cc1S(=O)(=O)NC[C@H]1CCCO1 12444958 CXLQDFHDLREJGU-LLVKDONJSA-N 353.396 1.567 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(C(=O)N4CCCC4)c3C2)c1 2055745486 DCXNSMUMXMYAHS-CQSZACIVSA-N 354.410 1.901 0 40 FDAB O=S(=O)(Cc1ccccc1F)N1CCC[C@H](Oc2cnccn2)C1 225478209 QKKIUKNKADIVQO-AWEZNQCLSA-N 351.403 1.989 0 40 FDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1ccc3ccccc31)C2 225666411 QHNSIWIWWZBZAG-HOTGVXAUSA-N 361.467 1.713 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCN(c2cc3c(nn2)CCC3)CC1 575619153 HXPHUCYDQWMUPF-UHFFFAOYSA-N 363.425 1.059 0 40 FDAB CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 4164168 YDBYLDIIDZEYII-UHFFFAOYSA-N 371.422 1.563 0 40 FDAB CCC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2nc3ccccc3[nH]2)CC[C@H]1O 2332241516 BXFNHALOJCYEIJ-APHBMKBZSA-N 368.441 1.975 0 40 FDAB NC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 32857566 IZULJDXZMZHGGH-UHFFFAOYSA-N 352.394 1.728 0 40 FDAB O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(c2ccccc2)C1 40074171 WWAOWJQVZXRZPZ-AWEZNQCLSA-N 353.426 1.674 0 40 FDAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)c1 32809574 ZCFXULSTCGMBHH-LBPRGKRZSA-N 360.332 1.987 0 40 FDAB COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 9060871 KKTVAEKVCWOBKM-NWDGAFQWSA-N 370.452 1.137 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 1344748 ZXQJABPTLRDMMA-ZIAGYGMSSA-N 366.425 1.767 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)CNc2cccc(O)c2)C1 3999445 NIESREDNVAQROX-VKJFTORMSA-N 355.438 1.446 0 40 FDAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)NCc1cccs1 4393271 RLNWDZPIVGNOKU-WHPHWUKISA-N 369.439 1.761 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCCOC(C)C 6233647 QHZCCWHHIOMJPR-UHFFFAOYSA-N 372.487 1.555 0 40 FDAB COCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12554111 HPHHDXKSIHOIDO-UHFFFAOYSA-N 351.428 1.544 0 40 FDAB O=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccco3)CC2)C1)C1CC1 108524903 OFAHYJQZZOERRN-AWEZNQCLSA-N 354.472 1.875 0 40 FDAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 9154799 HJEHJZBDASSPBA-LJQANCHMSA-N 359.426 1.483 0 40 FDAB CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1 25424374 MPJNRDMUWUAPLV-UHFFFAOYSA-N 367.449 1.912 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)O)C(C)C)c1 3222708 CCEJVYSXJSKTJR-AWEZNQCLSA-N 356.444 1.556 0 40 FDAB in-vitro Cc1[nH]ccc(=O)c1OCC(=O)NC1CCN(Cc2ccccc2)CC1 44892766 GZGRFWQPQVVPJT-UHFFFAOYSA-N 355.438 1.843 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](c1ccco1)N1CCCC1 10217567 GLNGSGPXPPAGBI-KRWDZBQOSA-N 366.421 1.943 0 40 FDAB CCC(CC)NC(=O)[C@@H]1CN(CCC(=O)NC(N)=O)c2ccccc2O1 58209724 VAOSXEZUMLMPQT-HNNXBMFYSA-N 362.430 1.144 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NOCc2ccccc2)C1=O 12768570 VRVWXGRIAYEHIS-LJQANCHMSA-N 371.368 1.841 0 40 FDAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2236787 KPDTVDDAFSQRNC-ZJUUUORDSA-N 359.455 1.965 0 40 FDAB Nc1nonc1C(=O)NCCCNC(=O)c1cc(F)c(F)cc1Cl 2216377 YTKPFPXLCQNPPM-UHFFFAOYSA-N 359.720 1.133 0 40 FDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 12769141 IJVDQIGTGQPIPP-ZDUSSCGKSA-N 350.378 1.843 0 40 FDAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@H]3CC=CC[C@H]3C1=O)C[C@@H]2O 36391032 LNCSVXCSWBZMGT-GUTXKFCHSA-N 372.421 1.462 0 40 FDAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc21 10833855 PSDNYSFEZHVHMH-MRXNPFEDSA-N 374.462 1.858 0 40 FDAB CCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)Nc2nnnn21 45896138 ULNZUCDMZRGMLK-OAHLLOKOSA-N 359.386 1.550 0 40 FDAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)N(C)C)CC3)cs2)o1 29720656 XJIUAGRRKFFOGD-UHFFFAOYSA-N 370.500 1.636 0 40 FDAB CN(C)C(=S)/N=c1/ss/c(=N/S(=O)(=O)c2ccccc2)n1C 104277095 SBKWMFIUFUWODE-PHEQNACWSA-N 374.538 1.185 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)no1 2647399 JXJRLOOBGUVBFN-SFHVURJKSA-N 356.382 1.865 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)NC(=O)NCc1ccco1)CC2 2624281 ZXCMRGHBTHAYLZ-UHFFFAOYSA-N 373.409 1.681 0 40 FDAB CC(C)CCNC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030474 PNOFCANXNOOBKE-OAHLLOKOSA-N 373.496 1.423 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2N)C[C@@H](C)O1 13146419 PMTVIUXQSNSNLF-AOOOYVTPSA-N 353.473 1.448 0 40 FDAB Cc1nc2nccc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)n2n1 96012338 PNVZQRABQHLBIE-OLZOCXBDSA-N 374.445 1.998 0 40 FDAB Nn1c(SCC(=O)Nc2ncccn2)nnc1-c1ccccc1Cl 409153616 DOOCWKHIUPEIQF-UHFFFAOYSA-N 361.818 1.833 0 40 FDAB CC(=O)c1c(C)n(S(C)(=O)=O)c2cc(C)c(NS(C)(=O)=O)cc12 4411747 DDDWONOAXNRNSQ-UHFFFAOYSA-N 358.441 1.640 0 40 FDAB CCn1nnnc1SCC(=O)NCCSCc1ccccc1F 14014510 DOJZSCCAHGXHMF-UHFFFAOYSA-N 355.464 1.974 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2ncccc12 65565824 UKEYFCPJZMKCOU-INIZCTEOSA-N 353.403 1.840 0 40 FDAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCc1ccco1 14129233 DKFHDZXPIPTDMI-UHFFFAOYSA-N 354.410 1.876 0 40 FDAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(C)(=O)=O)cc2c1 9488167 QNSITLXLIVRWAJ-HNNXBMFYSA-N 350.440 1.777 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N(CC(N)=O)c1ccc(C)cc1 6916888 CYRHEDCUVLDIBE-UHFFFAOYSA-N 368.436 1.524 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(NC(N)=O)cc1 15340344 TZKPXBXQIOTEPB-NSHDSACASA-N 359.386 1.712 0 40 FDAB O=C(CNC(=O)CNC(=O)c1cccs1)NCc1ccccc1Cl 8076860 BFEDSWTVAXYAQI-UHFFFAOYSA-N 365.842 1.564 0 40 FDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1cc(Cl)ccc1O 16991505 IKHQXBIQJXVUDU-UHFFFAOYSA-N 359.773 1.641 0 40 FDAB COc1ccc2c(c1)C=C(C(=O)N1Cc3ccccc3C[C@H]1C(N)=O)CO2 87023975 VOGHDEZXDCLRTG-SFHVURJKSA-N 364.401 1.910 0 40 FDAB COC(=O)c1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 8946106 AQKWQPJYCHKHOB-UHFFFAOYSA-N 365.389 1.579 0 40 FDAB COC(=O)CCCCNC(=O)c1nn(-c2ccccc2)cc1CCCO 95451473 STYCJFNCLFIXTR-UHFFFAOYSA-N 359.426 1.870 0 40 FDAB COCCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CCCCC2)c1 72292951 QXHPYAWNUJVWAU-UHFFFAOYSA-N 370.471 1.036 0 40 FDAB O=C(NCCCCO)c1nc(-c2ccnn2CC2CC2)n2ccncc12 306142051 WNWSANOMINUYDK-UHFFFAOYSA-N 354.414 1.505 0 40 FDAB COc1cccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 151199921 WSOLOMTVCPDGKE-UHFFFAOYSA-N 369.469 1.644 0 40 FDAB c1cncc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 306142097 WPJDDWWLTACBFR-KRWDZBQOSA-N 364.453 1.950 0 40 FDAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccsc2C(=O)OC)C1 24763971 HHPGTVDQOKUMLJ-NSHDSACASA-N 354.428 1.748 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1 408558054 IFMSWMWBELJCDZ-CJNGLKHVSA-N 362.451 1.802 0 40 FDAB COc1ccc(-n2c(O)nc3nc(N4CCSCC4)ncc3c2=O)cc1 67264226 JAFJXHMJTNHFJJ-UHFFFAOYSA-N 371.422 1.443 0 40 FDAB CCn1ccnc1CN(C(=O)c1cccc(=O)n1C)[C@H]1CC12CCNCC2 518980919 WELWVUOBLRIWQA-INIZCTEOSA-N 369.469 1.386 0 40 FDAB COc1c[nH]c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1=O 524734465 HPULRWCUMXZQGV-GFCCVEGCSA-N 353.382 1.446 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cccc3c2CCC3)[C@@H]1c1nccn1C 551814707 MYMBMQAAUQDDKN-KBXCAEBGSA-N 352.438 1.858 0 40 FDAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 72360241 JMINQQHZHXKLGL-NSHDSACASA-N 354.461 1.785 0 40 FDAB CCN(Cc1cccc(F)c1)C(=O)CCn1cnc2c(cnn2C)c1=O 39539136 FSTKEWIBWLJFOR-UHFFFAOYSA-N 357.389 1.708 0 40 FDAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCC(=O)N(C)C 227152875 BMSGRMCGGFWKAH-LLVKDONJSA-N 350.806 1.497 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 224161334 YQLQKYPDJGEJQZ-IVZWLZJFSA-N 358.489 1.990 0 40 FDAB COc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1OC 224295292 INMMHYRAPPAQFS-UHFFFAOYSA-N 366.443 1.977 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1 49705966 SWDPOAFHHBMWSB-UHFFFAOYSA-N 357.428 1.622 0 40 FDAB O=C1COC2(CCN(Cc3ccncc3)CC2)CN1Cc1ccccn1 96049214 MPFUOANLKWYSDA-UHFFFAOYSA-N 352.438 1.870 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccccn1 95480807 IJHVQUUCIXKPSD-QGZVFWFLSA-N 366.421 1.498 0 40 FDAB CCOc1cc(CO)c(Br)cc1OCC(=O)N1CCOCC1 95095168 ODFLZUVAULHMTR-UHFFFAOYSA-N 374.231 1.578 0 40 FDAB Cn1cccc1CNC(=O)CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O 95473734 VAWPMEQMWSFGTB-KRWDZBQOSA-N 368.437 1.789 0 40 FDAB CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1ccc(C)o1)C2 96208480 YMFZIYWFKKHWNJ-SJORKVTESA-N 356.488 1.898 0 40 FDAB CC(C)n1cc([C@@]2(O)CCCN(c3cc(=O)n4ccccc4n3)C2)nn1 583616899 WUPRRMYWBJTYHF-GOSISDBHSA-N 354.414 1.355 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NCCCn2ccnc2)[C@H]1c1ccc(F)cc1 96181794 BRWSHDWQBOJJBG-SJORKVTESA-N 360.389 1.127 0 40 FDAB COCCN1CC2(CCN(C(=O)C3CCOCC3)CC2)C[C@H]1COC 96207481 JKDRCWLDUKQQKZ-KRWDZBQOSA-N 354.491 1.389 0 40 FDAB Cc1cccc2nc(CN3CCC[C@@H](c4nc(N(C)C)no4)C3)cc(=O)n12 585080285 YKWFGACYQPWQLQ-CQSZACIVSA-N 368.441 1.832 0 40 FDAB Cc1o[nH]c(=N)c1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 585084742 JYZOCMMGWCCCRU-CQSZACIVSA-N 367.427 1.842 0 40 FDAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257250580 JNCDCGPTJOLWCW-CQSZACIVSA-N 361.423 1.899 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)NC[C@@]1(O)CCN(c2cnccn2)C1 257319834 VUFQKAOFKUTXTA-SFHVURJKSA-N 358.446 1.188 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cnn(C)c3)C2)cc1 257208665 BNCVHJIMGHSNHK-IBGZPJMESA-N 358.442 1.138 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@H]1c1cncc(CNC(C)=O)n1 257286912 PNQAOWJROPISSL-INIZCTEOSA-N 356.430 1.235 0 40 FDAB CCn1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)c(O)nc1=O 1652162015 FITQFPHHBLRYNQ-UHFFFAOYSA-N 364.409 1.922 0 40 FDAB Cc1cn(C2CCOCC2)nc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 631249954 VQEHTGSSPAMGTQ-GFCCVEGCSA-N 374.363 1.436 0 40 FDAB COC[C@@H](CS(=O)(=O)N1CCN[C@@H](c2ccccc2Cl)C1)OC 1666242859 AJETWNWAEGYKPH-SWLSCSKDSA-N 362.879 1.278 0 40 FDAB CCOCc1cc(CN2CCC[C@@](O)(CC(=O)NC)C2)ccc1OC 643756588 YIKMNVNBILUFMI-LJQANCHMSA-N 350.459 1.695 0 40 FDAB CN1CC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)C2)C1 644190525 KZWQEHBMBVXGOT-GOSISDBHSA-N 363.483 1.254 0 40 FDAB COc1cc(CNC(=O)CN2CCCC[C@@H](O)C2=O)c2ccccc2n1 644372542 XFKNKUFQTQGRHY-MRXNPFEDSA-N 357.410 1.233 0 40 FDAB CNC(=O)[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 666153270 RRQPTMSZINWTKB-GOSISDBHSA-N 373.501 1.461 0 40 FDAB Cc1cccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)c1F 670416198 YBGJWVZAUMDMKF-GFCCVEGCSA-N 358.373 1.940 0 40 FDAB O=C(NCc1nc(CN2CCN3C(=O)CC[C@H]3C2)cs1)c1ccccc1 677991461 OLBVMZIBFGEJJS-INIZCTEOSA-N 370.478 1.880 0 40 FDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[C@@H]1SC 600060892 BFYNXFBGBOBLAK-XFJVYGCCSA-N 350.440 1.681 0 40 FDAB O=C(CC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1 390825815 FSUFHMYIOULEKQ-UHFFFAOYSA-N 363.417 1.971 0 40 FDAB Cc1noc(CC(=O)N2CC[C@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)n1 585106568 BKFMXRNGBRGRSM-DNVCBOLYSA-N 354.410 1.395 0 40 FDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)CCc1cc(Cl)no1 585278242 OHEZAZPNWSFNCP-STQMWFEESA-N 357.838 1.793 0 40 FDAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc(C4CCC4)c3)C2)C1 685942932 UONBFBNTRAECKC-MRXNPFEDSA-N 355.438 1.373 0 40 FDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 85558116 PODXNIKMTUKFLU-GOSISDBHSA-N 371.481 1.358 0 40 FDAB CCn1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615156448 KPMNATYYGBIQNY-LJQANCHMSA-N 372.400 1.690 0 40 FDAB CCn1cc(C(=O)N2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cn1 12181546 NRPGTRMSGAFKNV-UHFFFAOYSA-N 370.457 1.421 0 40 FDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cnc(N3CCOCC3)nc2)C1 12204860 LUXSTWLDIYGNKG-HZPDHXFCSA-N 361.490 1.411 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCC(C)C)c1 16575147 OIGFCECORKBFHB-UHFFFAOYSA-N 358.460 1.487 0 40 FDAB CN(C)S(=O)(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19583631 IEPXTUHBLAGJJP-UHFFFAOYSA-N 367.471 1.228 0 40 FDAB CN1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)ncc2C1 19590590 LZLRCKQBSCZDPZ-KRWDZBQOSA-N 358.467 1.990 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 575607592 NWLHTJQHRDUDOC-KRWDZBQOSA-N 366.483 1.668 0 40 FDAB Cc1sc2nc(CS[C@H](C)C(=O)O[C@H](C)C(N)=O)[nH]c(=O)c2c1C 4492008 SQFSWQTTWVITCC-VXNVDRBHSA-N 369.468 1.640 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(Cn3ccnc3C)C2)cc1OC 1849655490 FYEGEXPELXMMMC-UHFFFAOYSA-N 351.428 1.529 0 40 FDAB O=C1[C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@H]2C(=O)N1Cc1ccccc1 1888863600 YLDZLSRYGCXSCK-HUUCEWRRSA-N 352.394 1.564 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)c4ncccc4F)C[C@H]3C2)nc(O)c1F 1888863784 PKFXSSXNQCWHJE-QWRGUYRKSA-N 361.352 1.372 0 40 FDAB O=C(NC[C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888876473 WVNSFOLXGXPFMG-DHSIGJKJSA-N 364.421 1.985 0 40 FDAB O=C(C[C@H]1C=CCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24113728 KEDQUMAPJFJXOS-HNNXBMFYSA-N 352.438 1.924 0 40 FDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)Cn2cccn2)c1 24807451 BHYPIVGYVNAUMX-CYBMUJFWSA-N 350.444 1.308 0 40 FDAB COc1cc(C)n(CCNC(=O)c2cccc(-n3cccn3)c2)c(=O)c1 238850305 JFYCPWRAYYLLAE-UHFFFAOYSA-N 352.394 1.781 0 40 FDAB Cn1cnc(CN2C[C@@H]3OCCCCNC(=O)c4ccccc4O[C@@H]3C2)c1 2037985494 LOTCRTYITGNJOX-RBUKOAKNSA-N 370.453 1.592 0 40 FDAB COc1cnc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)nc1 1147033934 SOXQGFBEFLUKQW-MRXNPFEDSA-N 366.421 1.621 0 40 FDAB O=C(c1csnn1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565547460 JHDIOOQKJIOBDJ-UHFFFAOYSA-N 368.426 1.270 0 40 FDAB O=C(NC1CCCC1)c1noc2c1C[C@H](NCC(=O)N1CCCC1)CC2 2055745870 JMMLMZUYFDOBST-CQSZACIVSA-N 360.458 1.416 0 40 FDAB Cn1ncc2c(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298194495 ZAJLRLODUPAGDR-GFCCVEGCSA-N 364.400 1.837 0 40 FDAB COC(=O)C1=CC(=O)C=C(OC)[C@@]12Oc1c(Cl)c(C)cc(O)c1C2=O 15200241 YSOQPJCUGDZRKZ-KRWDZBQOSA-N 364.737 1.880 0 40 FDAB biogenic NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)c2nccnc21 19370076 JDEPTUWDKRVFAB-OAHLLOKOSA-N 350.426 1.344 0 40 FDAB CCc1nn2c(=O)cc(CNc3ccc4c(c3)C(=O)N(C)C4=O)nc2s1 40009473 VFDFGTYQDDRUFR-UHFFFAOYSA-N 369.406 1.551 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2nc(C)cs2)C1=O 40033909 WLZJWZAVFIUVNK-GOSISDBHSA-N 372.450 1.925 0 40 FDAB O=C1CNC(=O)N1Cc1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1 40107936 SDYLTBDNXNXQRG-AWEZNQCLSA-N 357.410 1.380 0 40 FDAB Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)c1ccc2c(c1)OCO2 31592559 PTKXLCBOOAXYRO-ZDUSSCGKSA-N 356.382 1.072 0 40 FDAB C[C@H](OC(=O)CCn1nnc2ccccc2c1=O)C(=O)NC1CCCC1 31641374 ZXEGYKOGCJRQKA-LBPRGKRZSA-N 358.398 1.172 0 40 FDAB C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)N1CCc2sccc2C1 32429497 QTFQAQOWCAQQCU-ZDUSSCGKSA-N 371.466 1.121 0 40 FDAB C[C@H]1CN(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 32895348 VXNWNEDSINHOTE-IYBDPMFKSA-N 367.515 1.595 0 40 FDAB O=S(=O)(Cc1ccc(F)cc1)N1CCC(CN2CCOCC2)CC1 32935803 CWBNNNLEPPRQLH-UHFFFAOYSA-N 356.463 1.700 0 40 FDAB NC(=O)CCc1nnc(SC[C@H]2CCCCO2)n1Cc1ccco1 22749645 FZGKIGYWFQHQLZ-CYBMUJFWSA-N 350.444 1.999 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccco1 61722089 RDUADCDROJKWCB-HNNXBMFYSA-N 356.426 1.816 0 40 FDAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c1 22931320 HSEFLSCUUGIUHJ-GOSISDBHSA-N 372.513 1.870 0 40 FDAB CCN1CCN(c2nc3ccccc3nc2N2CCN(CC)CC2)CC1 944821 AUBGWPVZZMQJKL-UHFFFAOYSA-N 354.502 1.914 0 40 FDAB CCOCCCNC(=O)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25596542 YWXGEAKIGJUPHG-HUUCEWRRSA-N 354.447 1.511 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 3666315 VAVHHYYSYZPLCS-UHFFFAOYSA-N 372.421 1.688 0 40 FDAB COc1ccc(OC)c(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)c1 4123480 GFZSSEIZWOGYSW-HNNXBMFYSA-N 359.382 1.670 0 40 FDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 4426819 VHQNVMSVULYFLX-MRXNPFEDSA-N 364.398 1.911 0 40 FDAB COc1ccc(CCNC(=O)COc2ccccc2C(N)=O)cc1OC 4562674 VYVAQJJPOYDFDU-UHFFFAOYSA-N 358.394 1.540 0 40 FDAB CCn1nc(C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 6886873 FLAZBEFEOUHUJH-CYBMUJFWSA-N 365.389 1.986 0 40 FDAB O=C(CCn1cccn1)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119305 YSPIXHLEWXPJHW-HUUCEWRRSA-N 363.421 1.599 0 40 FDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2F)cc1 8158309 JVFQJLQQAMJEQN-UHFFFAOYSA-N 356.350 1.890 0 40 FDAB Cc1ccoc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25382243 NJRCQJWPYLUGGQ-INIZCTEOSA-N 356.378 1.712 0 40 FDAB CCC[C@@H](C)NC(=O)COC(=O)CN1C(=O)CSc2ccccc21 25639809 BBGOBENLEKXBHO-GFCCVEGCSA-N 350.440 1.973 0 40 FDAB CN(C(=O)Cn1c(-c2cccc(Br)c2)noc1=O)C1CC1 58197512 HLZJPXDIRTTWBP-UHFFFAOYSA-N 352.188 1.887 0 40 FDAB O=C(Cn1cc(NC(=O)[C@@H]2COc3ccccc3O2)cn1)NC1CCCC1 58193287 WREVSPLPXFSYCC-KRWDZBQOSA-N 370.409 1.720 0 40 FDAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N1CCOCC1 12769783 XTCDRIUIYWOMLL-UHFFFAOYSA-N 355.419 1.984 0 40 FDAB Cc1nnc(N2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)s1 107711902 LQBOZBHCSOICDP-BBRMVZONSA-N 354.476 1.327 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCn1c(C)nc2ccccc21 10737433 PXSGEDGGTQIGIN-UHFFFAOYSA-N 372.450 1.731 0 40 FDAB COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2413622 GYUIHZXFPHTDED-UHFFFAOYSA-N 367.405 1.742 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 58025426 VMEUKHBZXFZFSJ-ZDUSSCGKSA-N 368.455 1.864 0 40 FDAB Cc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 12998973 GSTONQKTVCEIEN-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4085045 LFQJPEYSPBOGRQ-SLEUVZQESA-N 366.464 1.579 0 40 FDAB biogenic CCOc1sc(NC(=O)[C@H](C)Sc2nnc(C)c(=O)[nH]2)nc1C 9190179 QQEUUECBDLVAPA-QMMMGPOBSA-N 355.445 1.756 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1cccc(-n2cnnn2)c1)c1cccs1 9734626 TULIUOUVNIHDCQ-CQSZACIVSA-N 356.411 1.930 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 9226254 OMBOIELCLSERRU-SNVBAGLBSA-N 372.830 1.925 0 40 FDAB CC(=O)N1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)Oc2ccccc21 14162378 MTAQVZQIDPZWBF-INIZCTEOSA-N 372.450 1.606 0 40 FDAB Cc1[nH]c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 14139371 SAFWABFBXARGGO-LBPRGKRZSA-N 356.444 1.456 0 40 FDAB COC(=O)C1=NN[C@@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 4844373 KLZXMMQWYLMSOG-CQSZACIVSA-N 356.165 1.518 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCNc1ccccc1 9419970 FGPJPGOWSYABRJ-UHFFFAOYSA-N 366.425 1.415 0 40 FDAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(N)=O)nnc23)cc1 9499626 YKZQYIMENQFLPK-UHFFFAOYSA-N 365.418 1.919 0 40 FDAB COc1ccc(C(N)=O)c(OC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 96437989 LJUJUUIMTVLZMY-BETUJISGSA-N 374.393 1.265 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@H]1C 8394771 WSFCDZPTILIALQ-JTQLQIEISA-N 370.365 1.305 0 40 FDAB CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 17127092 YYRWGFSQGAQPOQ-UHFFFAOYSA-N 360.819 1.074 0 40 FDAB O=C(CSc1ccccn1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 8487085 OVOQVMDRHCZUOZ-CYBMUJFWSA-N 366.464 1.983 0 40 FDAB CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1 18664598 FDLPRGVFIBOQKV-UHFFFAOYSA-N 357.414 1.964 0 40 FDAB CCN(CC)C(=O)CCCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 97359090 ICLSOSROLJYWCH-UHFFFAOYSA-N 360.462 1.805 0 40 FDAB O=C(NCCc1nc2c(s1)CCCC2)NC[C@@H]1CCCS1(=O)=O 95980106 HTYDRWITHDWWDD-NSHDSACASA-N 357.501 1.441 0 40 FDAB CNC(=O)COC1CN(C(=O)C2(c3cccc(Br)c3)CC2)C1 75093998 YXUKUUCXQBFAML-UHFFFAOYSA-N 367.243 1.454 0 40 FDAB Cc1nn(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)c(C)c1Cl 27981059 GDSFYTKPERHXQU-NSHDSACASA-N 371.846 1.712 0 40 FDAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(F)cc1F 22997089 ZNLULDJDKKMDKJ-OAHLLOKOSA-N 371.384 1.059 0 40 FDAB Cc1cc(O)ncc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 502304235 JCLJPZPSESNMKS-QAPCUYQASA-N 352.394 1.725 0 40 FDAB Cc1cc(C)n(CCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524729309 NKOYLYNTEWIUGV-XAUMDUMWSA-N 368.437 1.726 0 40 FDAB biogenic CNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1N 62006758 LNNZYKJYZJNQFQ-UHFFFAOYSA-N 373.482 1.664 0 40 FDAB CN(CCOc1ccccc1F)C(=O)CCCN1C(=O)NC(C)(C)C1=O 39998486 DFFAXHHRRCBHCE-UHFFFAOYSA-N 365.405 1.774 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CN1C[C@H](C)O[C@H](C)C1 72337464 BTHVVWMTLAJHEY-DLTWYDFYSA-N 369.469 1.735 0 40 FDAB COc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1O 39489174 UZWVACQZDISKML-LLVKDONJSA-N 373.361 1.991 0 40 FDAB Cc1ccc(C)c([C@@H]2CN(CCc3cn(CC(=O)O)nn3)[C@H](C)CO2)c1 566360950 CSUKSDRPDFGNSN-QAPCUYQASA-N 358.442 1.984 0 40 FDAB COCCS(=O)(=O)N1CCC(NC(=O)CCC2CCCCC2)CC1 72265435 IARXUGLOHMVFJA-UHFFFAOYSA-N 360.520 1.904 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)c2cccs2)cc1 75155911 KOHNDQSQIMWBLK-MRXNPFEDSA-N 368.480 1.636 0 40 FDAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)noc1C 225022976 ZPQNGWRCFOZNAB-UHFFFAOYSA-N 367.427 1.859 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1OC 223297786 XOJBQSDTXUOOAL-UHFFFAOYSA-N 366.395 1.369 0 40 FDAB CNc1ncnc2cc(C(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)ccc12 615957396 KLVAMRMNWYWRDF-SFHVURJKSA-N 374.466 1.712 0 40 FDAB Cc1cc(CNS(=O)(=O)c2cccs2)nc(N2CCOCC2)n1 224232760 WDSMEQLLGQASFI-UHFFFAOYSA-N 354.457 1.162 0 40 FDAB COc1ncccc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CC2)C1 96044949 CYVAQGYRSJZVFX-CQSZACIVSA-N 356.426 1.990 0 40 FDAB O=C(c1cocn1)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 247877863 UOVQTCXZWNMQCR-INIZCTEOSA-N 360.414 1.902 0 40 FDAB Cc1ccc(S(=O)(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 242908922 GSAYPAIGKHIGKA-HNNXBMFYSA-N 374.528 1.043 0 40 FDAB COc1ccccc1CN1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 247968483 GYEVJLMANQAFHM-HNNXBMFYSA-N 350.484 1.860 0 40 FDAB CC(C)Oc1ccc(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)cc1 257271601 MYZJHOGYHILBNA-IBGZPJMESA-N 356.426 1.635 0 40 FDAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(CCC(N)=O)C2)ccc1CO 257313040 UQTJAEHIQQEOSQ-CQSZACIVSA-N 358.442 1.901 0 40 FDAB O=C(Cc1ccsc1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257208159 BKZPXKKWLAVMEY-IRXDYDNUSA-N 356.447 1.929 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)C2CCOCC2)C3)nc1 253600680 VUZGOCVWCSXHSS-INIZCTEOSA-N 360.458 1.631 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)c1 257277770 NZHGUVPWJQBATE-BRSBDYLESA-N 360.385 1.591 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCc2cccnc2)n1 257337897 YUYDFSCNNDQEOU-KRWDZBQOSA-N 353.426 1.804 0 40 FDAB Cc1c(CCC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cnn1C 257323352 WJULXUPNQUMSSA-KRWDZBQOSA-N 357.458 1.722 0 40 FDAB CN(C(=O)CCc1cccs1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257227310 FORPBOICYWJGGS-JFIYKMOQSA-N 352.500 1.753 0 40 FDAB CCNC(=O)C(C)(C)CNC(=O)N[C@H](CC)C(=O)NCc1cccs1 645285981 DRZDZOOVYVWZPS-CYBMUJFWSA-N 368.503 1.604 0 40 FDAB C[C@H]1C[C@H]1c1nnc2ccc(=NCCOc3ccc(C(=O)O)cc3)[nH]n12 649401139 UYIALMSEDHOXFY-SMDDNHRTSA-N 353.382 1.859 0 40 FDAB COc1ccc2c(CC(=O)N3C[C@@H](N)[C@H](c4cn(C)cn4)C3)coc2c1 685943407 WDMBTHJCMUIRGM-HZPDHXFCSA-N 354.410 1.671 0 40 FDAB NC(=O)C1CCN(CC(=O)N2CC(Oc3ccccc3Cl)C2)CC1 91644175 SNMHAOHUBIZQCL-UHFFFAOYSA-N 351.834 1.127 0 40 FDAB CCCS(=O)(=O)N1CCn2cc(C(=O)NCC3CCC3)nc2[C@@H]1C 585096411 MVJJLYKHOJRBGZ-LBPRGKRZSA-N 354.476 1.529 0 40 FDAB Cn1nccc1C(=O)NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 585111814 CDBHYXNAOGUBBO-QGZVFWFLSA-N 364.453 1.994 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]21 585109489 UGRPXFZJGZYQBL-IJEWVQPXSA-N 364.467 1.520 0 40 FDAB O=C(C1=NO[C@]2(CCCN(c3ncccn3)C2)C1)N1CC(F)(C2CC2)C1 585101296 WFIYBBWAAIHYRV-QGZVFWFLSA-N 359.405 1.552 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585098737 YQIAKRVYEMREQE-DVOMOZLQSA-N 356.426 1.894 0 40 FDAB Cc1noc([C@@H]2CN(C3CN(C(=O)c4conc4C4CC4)C3)CCO2)n1 685941650 FPPKBBMVJLWHDO-AWEZNQCLSA-N 359.386 1.141 0 40 FDAB COCC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1 1775964213 XDLGSMLHTJQMJV-ZDUSSCGKSA-N 362.361 1.335 0 40 FDAB biogenic,in-vitro O=C1CCc2cc(C(=O)N3CCC[C@H](n4cc(C(=O)O)nn4)C3)ccc2N1 584781925 SCQWAMCUGGKGMQ-ZDUSSCGKSA-N 369.381 1.338 0 40 FDAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCC[C@H](N2CCNC2=O)C1 635422796 UKSUPARTWUIDKB-JTQLQIEISA-N 358.320 1.436 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCCN(C)C)CCOCC2)o1 1547139234 PTHUWMXKFHKFJQ-UHFFFAOYSA-N 352.431 1.160 0 40 FDAB biogenic Cc1c(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cnn1C 12121319 BBVIAZFNKINQKN-UHFFFAOYSA-N 355.489 1.363 0 40 FDAB COCCOc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc1OC 19286431 VMDQDVYWEPLKTH-UHFFFAOYSA-N 373.453 1.713 0 40 FDAB COc1cc(COC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC 19419259 QZZNBGSXFVUYCE-DZKIICNBSA-N 369.458 1.699 0 40 FDAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCO)CCOCC2)C1 19569356 YTALNNNLEXCPQB-CQSZACIVSA-N 362.426 1.484 0 40 FDAB Cn1c(=O)c(C(=O)NCc2nnc(-c3ccccc3)o2)nc2ccccc21 19715010 TYBAHOVGUFSFAZ-UHFFFAOYSA-N 361.361 1.914 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@@H]2CCCN2C)n1 19760723 LOVJSACJKCCADJ-AWEZNQCLSA-N 370.523 1.303 0 40 FDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)CC1=CC(C)(C)NC(C)(C)C1 643551249 SBJAWXWAAFUXPD-INMHGKMJSA-N 354.491 1.070 0 40 FDAB Cc1ccc2nc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc(=O)n2c1 3457930 CENFQNQKTQLYES-OAQYLSRUSA-N 374.400 1.896 0 40 FDAB CCC[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 10079302 ZPFZVQKDXXYPIZ-CQSZACIVSA-N 369.487 1.695 0 40 FDAB O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12484751 FNOJCMLGOAXWJN-UHFFFAOYSA-N 367.456 1.320 0 40 FDAB O=C([C@@H]1CN(c2ccc(Br)cn2)CCO1)N1CCSCC1 1888849979 BBZXOHWJGDIVGQ-LBPRGKRZSA-N 372.288 1.625 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CC(Oc2cccnc2)C1 238846648 ILZCOUJAJVSGCN-UHFFFAOYSA-N 354.409 1.382 0 40 FDAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)on1 1565552119 KXOLMIPSWRORDV-ZDUSSCGKSA-N 373.413 1.739 0 40 FDAB O=C(CC1(O)CCC1)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565548805 JYATXMSPASVBBK-RYRKJORJSA-N 363.458 1.353 0 40 FDAB CCOCCn1ccc2c(OCC(=O)NC[C@@H]3CCCO3)cccc2c1=O 4584380 YEGHSTNYUHNSJE-HNNXBMFYSA-N 374.437 1.712 0 40 FDAB CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 9850031 OVMMSAAVZMFIMD-UHFFFAOYSA-N 367.413 1.278 0 40 FDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)cc1 11739602 NCPQNAMLAXFFCB-UHFFFAOYSA-N 357.385 1.873 0 40 FDAB COc1ccc(OC)c(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)c1 16890162 HFTGAIKACQXRJA-VIFPVBQESA-N 365.329 1.910 0 40 FDAB Cc1c(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cnn1C 2055781620 WSCOCIXIVIHVLD-UHFFFAOYSA-N 356.474 1.443 0 40 FDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cn[nH]c2)C1 2055751383 QKHGFIPBSSVJCC-LJQANCHMSA-N 357.458 1.619 0 40 FDAB COCC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 2055834943 GIDQNELVNAMYTO-SFHVURJKSA-N 361.398 1.418 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1 2055835311 SVHAERCQSCNHQR-SFHVURJKSA-N 353.382 1.800 0 40 FDAB Cn1c(-c2ccccn2)nn(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 206639837 IZSBWQYCHCCWLD-UHFFFAOYSA-N 367.365 1.054 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)Cc2ccco2)cc1 206621778 OMNUPZBETPXYGK-GOSISDBHSA-N 360.366 1.115 0 40 FDAB O=C(c1ccc(S(=O)(=O)NC2CC2)o1)N1CCc2sccc2C1 30563659 KFWIPHASRSFHBF-UHFFFAOYSA-N 352.437 1.980 0 40 FDAB CNC(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 40155001 QBJQKYZUJIPEJB-UHFFFAOYSA-N 371.780 1.934 0 40 FDAB CN1CCC(N(C)CCN(C)S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 40153166 WMANJFWBSHPAGF-UHFFFAOYSA-N 369.487 1.031 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2cccc(COC)c2)c(=O)[nH]c1=O 32739209 IALGPHMOMWGXBO-UHFFFAOYSA-N 360.414 1.342 0 40 FDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc2[nH]c(=O)[nH]c2c1 32801547 NINDGPZZOVQNJZ-UHFFFAOYSA-N 350.338 1.873 0 40 FDAB COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccs2)cc1 32999950 SJWHCKRWFMZJSF-UHFFFAOYSA-N 368.480 1.784 0 40 FDAB CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 32909759 RLYIVLHTQRVOCM-LLVKDONJSA-N 369.368 1.097 0 40 FDAB Cc1nc2ccccc2nc1NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 42108098 SYBRROIGJPAVIM-STQMWFEESA-N 364.471 1.789 0 40 FDAB O=C(NCCC(=O)N1CCC[C@@H](O)C1)c1ccc(Br)cc1 22737325 GFRZILNXFDLBCU-CYBMUJFWSA-N 355.232 1.552 0 40 FDAB CCOc1ccccc1NC(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 12525363 ZYZVGXLTCNJISJ-LLVKDONJSA-N 371.397 1.032 0 40 FDAB CCOCCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 2179238 NVAYXOGBIMZSAT-UHFFFAOYSA-N 362.879 1.957 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 24095513 RUEHDMVCMCKPMP-KFWWJZLASA-N 359.378 1.244 0 40 FDAB O=C(O)[C@H]1Sc2nc(O)sc2[C@@H]2c3ccc(O)cc3OC(=O)[C@@H]12 4597811 XLLALKBLIJIEGD-MRTMQBJTSA-N 351.361 1.780 0 40 FDAB CCN(C(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 24243773 CFFDZMJZZXGZQM-MRXNPFEDSA-N 358.486 1.324 0 40 FDAB CN(CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 43010270 DDJUXVJSXKWFLT-CALCHBBNSA-N 357.454 1.804 0 40 FDAB O=C(Nc1ncccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12568756 QXTHTDIVVFEQQH-GFCCVEGCSA-N 364.402 1.655 0 40 FDAB O=C(c1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1384575 IUXLJRGHPWKTLN-OAHLLOKOSA-N 358.419 1.873 0 40 FDAB COc1ccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408565 DPSVXNMUSXERJC-DLBZAZTESA-N 364.467 1.452 0 40 FDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc(C2CC2)no1 55706427 LAXUODZVHVZCRI-KRWDZBQOSA-N 356.426 1.947 0 40 FDAB CC(=O)NCCC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 55784420 RMDHSTMLMJAZFA-VIFPVBQESA-N 371.231 1.924 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cnn(C)c2)s1 25309484 UWMOBQNFURYMLH-LBPRGKRZSA-N 354.457 1.582 0 40 FDAB CCCOc1ccc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 56090399 PDHMEHFTXPQHSE-UHFFFAOYSA-N 351.428 1.391 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)o1 56192793 TYRLRMUJPUYBBK-NSHDSACASA-N 354.359 1.710 0 40 FDAB C[C@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)n1cncn1 57262036 PGSVRHITFRIHAA-VXGBXAGGSA-N 362.821 1.765 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H]3C=CCC3)c2)CC1 57272330 UDWFFWWLVRKFOS-HNNXBMFYSA-N 363.483 1.918 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 12621697 YPBHNTOKVLZXKB-CQSZACIVSA-N 367.361 1.517 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)N1 28930335 ODDVJFNQJDPWMT-UHFFFAOYSA-N 352.394 1.220 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1CN1CCOCC1 48149739 SMKFIQXYRWWTPJ-HNNXBMFYSA-N 371.437 1.547 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 48100855 QYGZWIBBRITUEZ-SNVBAGLBSA-N 359.448 1.001 0 40 FDAB Cc1cnc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)s1 22239805 FSABGBVPULBFDX-UHFFFAOYSA-N 363.443 1.251 0 40 FDAB CCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2069623 ZZSIGXKQUKKHDO-UHFFFAOYSA-N 364.427 1.869 0 40 FDAB Cn1c(=O)c2ccccc2n2c(SCCCN3CCCC3=O)nnc12 58151141 OCQXVPUQHKWCMP-UHFFFAOYSA-N 357.439 1.686 0 40 FDAB COC(=O)c1cc(=O)c2cc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)ccc2o1 72324500 IEYKNHMQYZKWMO-ZIAGYGMSSA-N 359.334 1.875 0 40 FDAB biogenic O=C(c1ccc[nH]c1=O)N(CCO)Cc1cc(Br)ccc1F 58218425 ABHUKMCFOYWNNA-UHFFFAOYSA-N 369.190 1.911 0 40 FDAB CCOC(=O)N(C)CC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58229381 NMZMJAMDWHTKOA-INIZCTEOSA-N 367.421 1.404 0 40 FDAB C[C@H](C(=O)N(C)CC(=O)NCCOc1ccc2c(c1)CCC2)n1cccn1 58305409 QPZCCZNSQIUWQO-OAHLLOKOSA-N 370.453 1.586 0 40 FDAB Cc1cccc(OC[C@@]2(CNC(=O)c3cccc(F)c3)C[C@H](O)[C@H](O)C2)n1 107283825 MZEGBNMKKINGAZ-XEMDLRDOSA-N 374.412 1.840 0 40 FDAB biogenic,in-vitro c1csc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)n1 107739664 XLCPJEUITFTDJD-RDJZCZTQSA-N 353.488 1.225 0 40 FDAB COC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(C)cc1 46086188 LXRDCMFTCCOGHR-CQSZACIVSA-N 352.456 1.526 0 40 FDAB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609493 RCLNDDRXBNRYAB-HNNXBMFYSA-N 368.499 1.688 0 40 FDAB CCNC(=O)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 3518350 GSHGZWBORDPNHA-UHFFFAOYSA-N 356.411 1.753 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)N3CC(F)(F)C3)C2)no1 306126268 DRDFREYXRAOIKN-ZDUSSCGKSA-N 350.369 1.894 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(C(=O)c1ccco1)C2)C1CCC1 306125524 CTFQKGMBBYTRCO-KXBFYZLASA-N 369.425 1.765 0 40 FDAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 13528182 IBLHUBHZJCJMOJ-UHFFFAOYSA-N 360.366 1.144 0 40 FDAB O=C(Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12)c1ccco1 9348216 HMHPDEHYKYNRPJ-UHFFFAOYSA-N 351.322 1.842 0 40 FDAB Cn1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 39996401 DALBYOBARDYGFL-SFHVURJKSA-N 353.382 1.142 0 40 FDAB CCOC(=O)c1c(C)nn(-c2ncnc3c2c(C)c(C)n3CCOC)c1N 6670032 GZNDRNRGGZVZES-UHFFFAOYSA-N 372.429 1.948 0 40 FDAB COc1ccccc1C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 5874027 KJXPDTVMXFPCBC-UHFFFAOYSA-N 360.366 1.286 0 40 FDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1F 4969662 PDAPDSZYZMUXMB-JKSUJKDBSA-N 367.340 1.758 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 7215454 OVUBXQZYPLZIFE-RDBSUJKOSA-N 367.405 1.702 0 40 FDAB Cc1cc(C(=O)OCC(=O)N2CCNC2=O)c(C)n1Cc1cccs1 7413604 XGAURTFUTAYZNF-UHFFFAOYSA-N 361.423 1.923 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 7777459 VMLUYHWOOGRRKD-GOSISDBHSA-N 357.366 1.372 0 40 FDAB Cc1ccc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)c(=O)n3C)cc1 20366728 PLIRGBXRICRGAT-UHFFFAOYSA-N 366.421 1.864 0 40 FDAB CCN1CCc2c(cccc2-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)C1 69589645 QYLRUOVWRTYOGU-MRXNPFEDSA-N 369.469 1.863 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCc1nnc2ccccn12)c1ccc(C)cc1 18110439 DVZBKHBAAMZLOJ-INIZCTEOSA-N 351.410 1.921 0 40 FDAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ncc(Cl)cc2[nH]1 8775864 RNDWKJSMGRNKNJ-SNVBAGLBSA-N 353.835 1.570 0 40 FDAB CC(C)Cn1cnc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1 97012595 LFHBZYITMKTSNO-AWEZNQCLSA-N 353.448 1.035 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 89404367 HIVALKVWKDCINO-XJKSGUPXSA-N 354.472 1.464 0 40 FDAB NC(=O)c1ccc(Cc2noc(C[C@H]3Oc4ccccc4NC3=O)n2)cc1 546337495 NFDNFHLJVPECDH-OAHLLOKOSA-N 364.361 1.702 0 40 FDAB C[C@@H](CN1CCCCC1)NC(=O)Cn1cc(Br)ccc1=O 27768570 SKSWYGIHPKCTTG-LBPRGKRZSA-N 356.264 1.601 0 40 FDAB COc1ccccc1CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O 123754010 IUWCDDIVNBCHSL-UHFFFAOYSA-N 362.451 1.773 0 40 FDAB CCc1nc2nc3ccn(C(CO)CO)c(=O)c3c(-c3ccccc3)n2n1 38828706 QJISETGLBJNQRX-UHFFFAOYSA-N 365.393 1.194 0 40 FDAB Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 72390782 PCIKYYWLDHXUFW-KRWDZBQOSA-N 354.458 1.771 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30851112 LDOCJUIAEWTBMM-KRWDZBQOSA-N 368.499 1.424 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 72384145 NHNFRFSENOKDOK-HNNXBMFYSA-N 369.425 1.814 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326759 VILCDBJYKIWEBU-CWTRNNRKSA-N 356.426 1.218 0 40 FDAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21 35442313 KWAVNBMVZFARRT-OTWHNJEPSA-N 372.513 1.366 0 40 FDAB biogenic,in-vitro CCC(CC)C(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2nccnc21 72391644 KUDKDTSQTJQSHQ-OAHLLOKOSA-N 372.473 1.715 0 40 FDAB CNC(=S)Nc1nc(OC)cc(N2CCN(c3ccccc3)CC2)n1 225877879 FWMDOTPHJBYQFK-UHFFFAOYSA-N 358.471 1.728 0 40 FDAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc2c(c1)OCCO2 75155738 OBOFZCNVWFEUJI-GOSISDBHSA-N 361.419 1.570 0 40 FDAB CSCC[C@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)O 41155361 VOTBPEBREHYDRZ-LBPRGKRZSA-N 358.847 1.782 0 40 FDAB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c(OC)c1 44948525 LXDJAFWRSICGTM-UHFFFAOYSA-N 370.471 1.871 0 40 FDAB O=C1NC(=O)[C@H]2[C@@H](c3c[nH]c4ccccc34)c3sc(=O)[nH]c3S[C@@H]12 222102973 YCDBVPWWHITLPH-OUAUKWLOSA-N 357.416 1.797 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(CC1CCOCC1)C2 96050300 WILLERITMTWMJV-HXUWFJFHSA-N 361.461 1.975 0 40 FDAB COc1ccc(CN2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)cc1 96240607 NVLMBTYMZTYHOI-MJGOQNOKSA-N 358.442 1.594 0 40 FDAB COc1ccc(C(=O)CNC(=O)c2cccc(-n3nnnc3C)c2)cc1 95473834 UAFOXGHPVANJOE-UHFFFAOYSA-N 351.366 1.592 0 40 FDAB O=C(c1ccccc1F)N1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514289663 NDJMEHAUIJMMBQ-HIFRSBDPSA-N 362.382 1.390 0 40 FDAB biogenic,in-vitro O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 96064867 YQOXDFKJDWPUFD-UYAOXDASSA-N 352.438 1.774 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 98086774 AWINPFUVAWOVCD-UHFFFAOYSA-N 372.497 1.876 0 40 FDAB Cn1cc(CN2CCc3c(nnn3C)[C@@H]2COCc2ccccc2)cn1 96060520 BVGVMGBKPNIEBR-SFHVURJKSA-N 352.442 1.865 0 40 FDAB Cc1cc(F)ccc1C(=O)N1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 247844553 RRBNPMZVKDSNRS-AWEZNQCLSA-N 366.418 1.077 0 40 FDAB Cc1cc(C)n(CC(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)n1 257216646 CVMXJYQGDJTUEL-IBGZPJMESA-N 357.458 1.385 0 40 FDAB C[C@H]1CN(c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)C(=O)O1 257230772 GDVXIHNSIYBLEQ-LBPRGKRZSA-N 368.459 1.413 0 40 FDAB CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCCCN2CC2CCOCC2)C1 257251506 JRASLXUPQDCVIH-ZWKOTPCHSA-N 351.491 1.252 0 40 FDAB CC[C@@H]1CCc2nc(NC(=O)c3ccc(S(N)(=O)=O)nc3)sc2C1 270742070 SBFYGFQNDBJHBE-SECBINFHSA-N 366.468 1.953 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 36594839 VEENBCUNRMIKGF-QLJPJBMISA-N 372.381 1.357 0 40 FDAB biogenic COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(Oc2ccccc2)nc1 643943640 HDBMEYBHOHNJQT-LJQANCHMSA-N 355.394 1.980 0 40 FDAB CN(Cc1ccccc1N1CCCC1)C(=O)CN1CCCC[C@@H](O)C1=O 644283478 BASDXKLQQSHFPA-GOSISDBHSA-N 359.470 1.619 0 40 FDAB CS(=O)(=O)CC1(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)CC1 678198934 HIPCSVMBQTVGTR-AWEZNQCLSA-N 366.483 1.520 0 40 FDAB CCCn1nc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1=O 36892803 UORZZSNBVJEONL-UHFFFAOYSA-N 368.437 1.818 0 40 FDAB Cn1cncc1C(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615158675 RVCTVTPDXZNVNM-IBGZPJMESA-N 372.400 1.597 0 40 FDAB Cc1ccccc1N1CCC(O)(CN2C[C@H]3CCCN3C[C@@H]2CCO)CC1 1615190289 GMPVIBYKJAMMCT-UXHICEINSA-N 373.541 1.857 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1F 5332712 ASWONMRWYDHIOQ-MKSNKDDYSA-N 366.385 1.992 0 40 FDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C[C@@H]4CCCO4)c3n2)cc1C 12145915 VSYYGEHUXYZRDY-ZDUSSCGKSA-N 367.409 1.681 0 40 FDAB CC1=C(C)C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C(=O)O)C1 13323613 JJZSZXFHCWNAEX-OWCLPIDISA-N 364.442 1.283 0 40 FDAB O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3CC3)nc2C1 19014974 JOZMLYWKFDLBMB-MRXNPFEDSA-N 370.453 1.941 0 40 FDAB Cc1cnn(CC(=O)N2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)c1 19747759 KVZUQGUJTBZMAJ-GOSISDBHSA-N 368.437 1.004 0 40 FDAB CNC(=O)c1cnc(C)nc1CC1CCN(C(=O)c2cnc(C)cn2)CC1 19752193 OQUBRNUTCHCNOY-UHFFFAOYSA-N 368.441 1.338 0 40 FDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[C@](C)(O)c1ccco1)C(=O)C2 206717107 MLRLVPURVCRBLE-ZLIFDBKOSA-N 355.456 1.802 0 40 FDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)C1 4941039 WZRUSHDUTLUWEY-STQMWFEESA-N 368.455 1.453 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)[C@@H]5CC=CCC5)C[C@H]4C3)ncnc21 1888866268 ODDMYYCXJHKQQP-KFWWJZLASA-N 352.442 1.614 0 40 FDAB CSc1ncc(C)c(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888888147 FIMDMGKLFQICFK-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB O=C([C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1)N1CCOCC1 1889128318 ONKOHOZGFZVWHY-OAHLLOKOSA-N 358.360 1.765 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1cc(F)c(F)cc1F)CCO2 2037983668 BQXSSBHWWKISOY-SFHVURJKSA-N 372.387 1.942 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(CCCN(CC(=O)N4CCCC4)C3)C2)c1 2056224034 AXOGCUNFNYRPGJ-HXUWFJFHSA-N 373.501 1.361 0 40 FDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1=O 1565553245 QCBAKVUDOYMAQD-NQIIRXRSSA-N 367.449 1.801 0 40 FDAB CC(C)N1CCO[C@H]2CN(C(=O)c3ccc4c(c3)CC(=O)N4)CC[C@@H]2C1 1565547844 OIMMXSAFSIVRRA-QAPCUYQASA-N 357.454 1.753 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)n(N)c1=O 2455500 YELNBVAXGMMHOC-UHFFFAOYSA-N 370.232 1.154 0 40 FDAB COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C 2724043 ZPCXHEDQJVBZQI-UHFFFAOYSA-N 350.400 1.019 0 40 FDAB CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 4496153 LXERZSHWVXURDY-UHFFFAOYSA-N 352.437 1.829 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cnccn1 2055745866 JGTANTCAIVDVOV-LBPRGKRZSA-N 355.398 1.424 0 40 FDAB CC(C)C(=O)NC[C@H]1N(C(=O)[C@H]2CCOC2)CCCC12CCN(C)CC2 2055747546 GDSDMENEHUZOHP-DLBZAZTESA-N 365.518 1.498 0 40 FDAB Cc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc1C 23109215 UZUMJPLSQYNSBU-UHFFFAOYSA-N 369.421 1.727 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](c2ccco2)n2nc(C)cc2C)C(=O)C1=O 585148052 BCQLZNUSWZOSNZ-AWEZNQCLSA-N 373.413 1.083 0 40 FDAB COc1ccc(OC)c([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1 40013597 QTZHNTONJKXWAH-CRAIPNDOSA-N 350.459 1.534 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)cc2)C1 40092621 BCNHSCUDZXMGLR-AWEZNQCLSA-N 372.462 1.773 0 40 FDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 40030770 CYOGSAZXXZYUER-UHFFFAOYSA-N 361.442 1.478 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC2(c3noc(C)n3)CCCC2)c1 32916488 KNQALUKAPCUJHJ-UHFFFAOYSA-N 365.411 1.912 0 40 FDAB CNC(=O)c1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21 52938260 CFDVWNFZAZNCCY-UHFFFAOYSA-N 350.378 1.785 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(CC)cc43)[C@@H]2C1=O 33538947 KXLTXXAKZWEYMN-NODDWMGCSA-N 355.438 1.789 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)c1 811731 ASHPSKIBVMQDGF-UHFFFAOYSA-N 370.471 1.629 0 40 FDAB CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23017493 HNZQYTVYTXCXMS-CQSZACIVSA-N 368.455 1.479 0 40 FDAB CN1C[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1=O 78841778 GBUIQFVIIGNVPR-FYMRZPMTSA-N 361.486 1.446 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 78918010 OSOBFADHYQTNOQ-UONOGXRCSA-N 356.467 1.335 0 40 FDAB N=C1N=C(Cn2nc(-c3ccccc3)c3ccccc3c2=O)NNC(=O)N1 6575858 ADXBCRQKFIHUKR-UHFFFAOYSA-N 361.365 1.214 0 40 FDAB CC1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)CC1 6804573 IBCUGMQRVUYTCK-UHFFFAOYSA-N 351.428 1.824 0 40 FDAB Cc1nsc(N)c1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 24829980 BPSYLUSXOFNVRI-UHFFFAOYSA-N 367.408 1.035 0 40 FDAB CCOc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCC(N)=O 8253789 BXKUEVZUPGYSOM-UHFFFAOYSA-N 357.823 1.601 0 40 FDAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 25501471 IIJRREQFOZUYHO-LBPRGKRZSA-N 360.391 1.925 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 26396283 HHSYVNNKWCJJSM-ZDUSSCGKSA-N 367.496 1.568 0 40 FDAB O=C(NCCOc1cccc(Br)c1)NCC(=O)N1CCCC1 57364486 CLRRMZRWOYUKQW-UHFFFAOYSA-N 370.247 1.750 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nccn2-c2ccccc2)C1=O 27488713 BTWSQCIBZUIQNM-QGZVFWFLSA-N 373.438 1.716 0 40 FDAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1 57711285 ODTRXXAQUAWYTB-UHFFFAOYSA-N 363.425 1.423 0 40 FDAB CN1CCN(C[C@@H](CC(=O)NCc2ccccc2Cl)C(=O)O)CC1 71283981 QKGFLHPISIZAPC-CQSZACIVSA-N 353.850 1.295 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)c(F)c1 45896193 SUBIRDXRSIJCNU-CYBMUJFWSA-N 351.313 1.430 0 40 FDAB Cn1cnnc1SCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 29618039 HNEDWKSCAUJXLD-UHFFFAOYSA-N 371.919 1.967 0 40 FDAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 9154798 HJEHJZBDASSPBA-IBGZPJMESA-N 359.426 1.483 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCc1ccccc1Cl 3543829 LBLVNJPWGSFXRE-UHFFFAOYSA-N 363.801 1.690 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C 3522653 LLKHAUFVWCWMQV-SECBINFHSA-N 368.484 1.938 0 40 FDAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 3887391 HBULVPCEMFKAOE-UHFFFAOYSA-N 361.373 1.527 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1 9217185 UAPGKKDWTVYFKD-UHFFFAOYSA-N 363.321 1.326 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 5230445 XGHKJCXTXOTBBG-ZDUSSCGKSA-N 369.377 1.578 0 40 FDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccnc3)C2=O)cc1 96114920 WUIVJROTTDXOHN-INIZCTEOSA-N 368.393 1.582 0 40 FDAB biogenic O=C1CCCN1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5704118 RBOYGUMGURJMAW-UHFFFAOYSA-N 369.468 1.107 0 40 FDAB O=C(COC(=O)c1cc2ccccc2cc1O)N[C@@H]1CCS(=O)(=O)C1 5841720 PISUGRBJBVUCMR-CYBMUJFWSA-N 363.391 1.006 0 40 FDAB COc1ccccc1OCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 15270396 BHNVSGUVPUFRKX-UHFFFAOYSA-N 350.396 1.750 0 40 FDAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 7247931 NMJWXNADNYVGQF-AWEZNQCLSA-N 369.464 1.966 0 40 FDAB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)o1 7716806 LOKXWJGSXHKHRS-UHFFFAOYSA-N 350.400 1.417 0 40 FDAB COC(=O)CCN(C)C(=O)CCCN(C)S(=O)(=O)c1cccs1 71817174 CSLNUYVEOBCIJT-UHFFFAOYSA-N 362.473 1.170 0 40 FDAB Cc1nn(-c2ccccc2)nc1C(=O)OCc1nnnn1-c1ccccc1 17726607 LPWWZQZSMWEEML-UHFFFAOYSA-N 361.365 1.908 0 40 FDAB COc1cc(CCC2CCN(Cc3nc(N)nc(N)n3)CC2)cc(OC)c1 8751096 DGROWMRZUXWWDF-UHFFFAOYSA-N 372.473 1.898 0 40 FDAB CCNC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 8746832 RRCDCDDXEDBYNX-ZDUSSCGKSA-N 361.471 1.721 0 40 FDAB COc1cc2nc(NC(=O)CN3CSCC3=O)sc2cc1OC 21558788 BRGMOOYWIANGHY-UHFFFAOYSA-N 353.425 1.785 0 40 FDAB CC(C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 75238254 AQFNWYLRZYONIC-LBPRGKRZSA-N 356.369 1.780 0 40 FDAB COCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 408724586 FUAHFSAOSWGTTH-UHFFFAOYSA-N 352.412 1.233 0 40 FDAB O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)N2CCOCC2)c1 408722993 YSBXJSFNXIDZFJ-UHFFFAOYSA-N 372.402 1.508 0 40 FDAB Cc1cccc(COC[C@@H]2CN(C(=O)c3ccn(C)n3)Cc3cncn32)n1 306136209 PMUAMGOSZNEBPP-KRWDZBQOSA-N 366.425 1.734 0 40 FDAB O=C(C1CCC1)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306140429 UTPFEUSVEDVYOT-HNNXBMFYSA-N 364.467 1.414 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 409121848 YFSLNSBLVYRREW-UHFFFAOYSA-N 358.460 1.394 0 40 FDAB CN1C(C(=O)Nc2ccc(C(=O)O)cc2)=C(O)c2ccccc2S1(=O)=O 35478383 BXSGZKSJENYBEM-UHFFFAOYSA-N 374.374 1.884 0 40 FDAB CCOC(CN=c1[nH]cnc2[nH]ccc12)CN=c1[nH]cnc2[nH]ccc12 542967643 ZSGYNEHEHZCRJT-UHFFFAOYSA-N 352.402 1.002 0 40 FDAB CSc1nc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)ccc3n2n1 30875351 DPLAUANDJTUTOX-UHFFFAOYSA-N 353.363 1.879 0 40 FDAB COc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c(OC)c1 36182853 GJGMKDVULFJJSS-UHFFFAOYSA-N 358.401 1.315 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637115 NMFBAVVFWUAWLK-UHFFFAOYSA-N 374.784 1.465 0 40 FDAB COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)[nH]c1=O 72405738 FGJZBAOMHWSDNY-GFCCVEGCSA-N 371.393 1.274 0 40 FDAB CCc1ncc(CN2CCN(C(C)=O)C[C@H](Cc3ccccn3)C2)cn1 72355225 SBDZEQIUDRDOIX-QGZVFWFLSA-N 353.470 1.957 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1 38511284 VGHLWPGWENJXGE-GFCCVEGCSA-N 354.410 1.909 0 40 FDAB Cc1ccc(CCN2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1 72260042 RBQLRVVPWHUQDY-UHFFFAOYSA-N 352.438 1.945 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)c1 222605246 NDNBMTQEPUPPIQ-CQSZACIVSA-N 368.455 1.782 0 40 FDAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 225726264 VFZPATQTZFGFCV-UHFFFAOYSA-N 355.485 1.409 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc21 96111742 GPGJZVUIUORIKS-JSGCOSHPSA-N 357.366 1.330 0 40 FDAB biogenic,in-vitro Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1ccncc1)CC2 96059491 AZSVVDBNIDPXBG-UHFFFAOYSA-N 364.409 1.203 0 40 FDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)c2nn(C)c4ccccc24)C3)n1 96110062 QHISLQBLRNNRQW-KZULUSFZSA-N 353.382 1.305 0 40 FDAB Cc1cc(C(=O)N2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)[nH]n1 96074948 MNCGRWHVGCASHU-LJQANCHMSA-N 355.442 1.620 0 40 FDAB Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](C(=O)NCC[S@@](C)=O)[C@@H]31)O2 248335469 MYCFJOVNBCZKKW-FITSAUNUSA-N 361.463 1.850 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2cccc(OC)c2)Cc2ccnn2C1 247875728 GUXXJUOEKHIFJZ-MRXNPFEDSA-N 358.442 1.286 0 40 FDAB Cn1ccc(C(=O)N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)n1 248093686 CPKMMGILMLLWSE-AWEZNQCLSA-N 357.414 1.300 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn21 248034057 ITZKCIKGOCJEAI-CYBMUJFWSA-N 352.398 1.103 0 40 FDAB CN(C(=O)Cc1ccccc1F)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257269190 MOYFUVGJVNZATG-ZHALLVOQSA-N 350.434 1.441 0 40 FDAB Cc1nc(CN2CC[C@H](O)[C@@H](n3cc(C)c(O)nc3=O)CC2)cs1 257297662 RIIRJEFZHUSZCF-KBPBESRZSA-N 350.444 1.220 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2n[nH]c3ccccc23)n1 257278971 OELKDAZGTQPDBG-AWEZNQCLSA-N 352.398 1.917 0 40 FDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCCn2ccnc2)n1 257280958 ONBXJZLFWMNGTN-KRWDZBQOSA-N 356.430 1.453 0 40 FDAB Cc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)c([C@H]2CCCN2C)n1 257216626 CVKZGQPEHKBOBC-QGZVFWFLSA-N 356.474 1.761 0 40 FDAB Cc1c(CCC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)cnn1C 257221153 DNSLCPCVTVQYBS-ROUUACIJSA-N 358.442 1.487 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](OCc3ccncc3)C2)c1C 284590196 HRXALBMTKZRDAC-MRXNPFEDSA-N 364.471 1.895 0 40 FDAB CN1CCCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 624137428 LGRUJXRCPMIXLR-CABCVRRESA-N 365.499 1.589 0 40 FDAB COc1ccc(-c2nc(CN3CCO[C@@H](Cn4ccnn4)C3)co2)cc1 639859461 MBHKGWSCHDWWSG-QGZVFWFLSA-N 355.398 1.843 0 40 FDAB CN1CCC2(CC1)CN(S(=O)(=O)c1cccc(F)c1)[C@@H]1COC[C@@H]12 1615588909 INZVDCNLWANOOL-JKSUJKDBSA-N 354.447 1.557 0 40 FDAB O=S(=O)(Cc1cccc(F)c1)N1CCC(Oc2cccnn2)CC1 96119377 JBDAXIFMAUFWCX-UHFFFAOYSA-N 351.403 1.989 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1C[C@@H](CO)c2ccccc21 647152237 OLNCISYXXDQJIA-INIZCTEOSA-N 352.438 1.326 0 40 FDAB O=S1(=O)CC[C@H](N(CCCN2CCOCC2)Cc2cccc(F)c2)C1 575420847 KOJCVDOTHWXHLR-SFHVURJKSA-N 370.490 1.537 0 40 FDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)COc1ccccc1F 585277161 GESKDPBBOOGXNW-HOCLYGCPSA-N 352.406 1.737 0 40 FDAB CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1ccccn1)CC2 585104315 HDLUEJLPUOGXAV-QGZVFWFLSA-N 361.486 1.948 0 40 FDAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N(C)Cc3nccn3C)ncn2)C1 685942923 UGFVXYPUEBDQNC-GJZGRUSLSA-N 359.478 1.002 0 40 FDAB COCC1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)CC1 73611593 IRQQYTOKJNHKPB-UHFFFAOYSA-N 360.458 1.696 0 40 FDAB CNC(=O)NC[C@H]1CN(C(=O)NCC2(c3ccccc3)CCC2)CCO1 636513876 INMPRDUQRXGEQA-INIZCTEOSA-N 360.458 1.448 0 40 FDAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccccn4)nn23)CC1 1501040205 FMTUHLMTKWFUSW-UHFFFAOYSA-N 364.456 1.387 0 40 FDAB COc1ncc(C2(O)CCN(C(=O)c3sccc3C)CC2)c(OC)n1 19238542 TVNRPNFOINSEQW-UHFFFAOYSA-N 363.439 1.988 0 40 FDAB COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 19593932 ZNCBYMPLLHFCPV-CQSZACIVSA-N 371.363 1.760 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716543 SIHLKSPIQUDKGX-QGZVFWFLSA-N 363.421 1.986 0 40 FDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Br)s1 19943349 WRGZQZCUZJZQQZ-UHFFFAOYSA-N 355.279 1.121 0 40 FDAB CSCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 244942711 CVYXRTCFPRFPKN-RBSFLKMASA-N 366.487 1.541 0 40 FDAB C[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)n1c(=O)oc2ccccc21 24115077 JVXTZFSTRYCJJB-LBPRGKRZSA-N 365.345 1.907 0 40 FDAB Cc1csc(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)c1 1614940923 YZZVYBQCXHJAEU-SFHVURJKSA-N 374.466 1.595 0 40 FDAB O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCC2 1565546084 SPCKNSKUPCOAGC-FOLVSLTJSA-N 367.409 1.155 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cscn2)CC1 2055745878 KUPPPJKVRKXVRD-UHFFFAOYSA-N 362.459 1.052 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cnc(C)cn2)CC1 2055732574 PPQZQJCKYNZPMV-UHFFFAOYSA-N 371.416 1.757 0 40 FDAB COCCN1C(=O)CCC12CCC(NC(=O)c1cccc(=O)n1C)CC2 2055819260 ASNCBFKFGQKKPB-UHFFFAOYSA-N 361.442 1.065 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ccnc(C)n5)C[C@H]4C3)ncnc21 2086865242 ZQPCIKPSEBZDIH-KBPBESRZSA-N 350.430 1.517 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 38666489 RQPKWKPCAZILTJ-LLVKDONJSA-N 351.384 1.604 0 40 FDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40268244 POXJIANGTYDAIG-UHFFFAOYSA-N 355.320 1.706 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2ccc(C)s2)CC1 51098888 GHFDVABDDYBCMZ-GFCCVEGCSA-N 366.487 1.485 0 40 FDAB C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(CCC(N)=O)C1=O 32751067 SZDORDSMPVCFDJ-INIZCTEOSA-N 355.341 1.407 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)C2 102678724 VVCHSCVQWGQHHR-DHSIGJKJSA-N 364.467 1.528 0 40 FDAB O=C(Cc1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983312 UPRSKOFSFKMNFX-KRWDZBQOSA-N 372.446 1.801 0 40 FDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccco1 47428899 HITSAVZEQJBXNW-ZDUSSCGKSA-N 363.439 1.953 0 40 FDAB COCCN(Cc1ccccn1)C(=O)Nc1ccc(-n2cncn2)nc1 47526924 ACMVGLGTUWATIB-UHFFFAOYSA-N 353.386 1.738 0 40 FDAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(-n2cncn2)cc1 23053558 YQZWSGFWEQLBNZ-UHFFFAOYSA-N 354.370 1.840 0 40 FDAB CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 1346136 NIFRKCKXYXUZMD-UHFFFAOYSA-N 368.455 1.700 0 40 FDAB CCCCn1c(N)c(N(CC)Cc2csc(CC)n2)c(=O)[nH]c1=O 23904160 CMFZLLKTRKPFTF-UHFFFAOYSA-N 351.476 1.964 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 6553215 GCHKVVGXJVUPQO-UHFFFAOYSA-N 354.428 1.473 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)c3ccc4[nH]c(=O)[nH]c4c3)nc2n1 7813752 IOZOWZLUZONFHC-UHFFFAOYSA-N 354.395 1.886 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCC3)cc(C3CC3)nc21 24745694 FMJYEYXXEDYLOB-UHFFFAOYSA-N 356.426 1.998 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3ccccc32)cc1 8313018 VHIOMAFQJFJFDP-UHFFFAOYSA-N 369.377 1.700 0 40 FDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2c(s1)CCC2 62001469 UGTCKUVCUSFKJF-GFCCVEGCSA-N 356.407 1.711 0 40 FDAB biogenic CCOC(=O)C1=C(COC(=O)c2ccco2)NC(=O)N[C@@H]1c1ccco1 9603100 LCGSEVITGFRMHS-CQSZACIVSA-N 360.322 1.901 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 3219636 NBUBNIUQPSVDKA-UHFFFAOYSA-N 360.819 1.329 0 40 FDAB O=C(O)Cc1c[nH]c(=O)n(-c2ccc(OCc3ccccc3)cc2)c1=O 20156448 ORQDSCZAQQZMCN-UHFFFAOYSA-N 352.346 1.732 0 40 FDAB COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423694 IIBKZVASTRZCGK-UHFFFAOYSA-N 364.427 1.641 0 40 FDAB COc1cccc(CC(=O)N2CCN(C(=O)CC[C@H]3CCCO3)CC2)c1 58214328 XRIQCJGEHUQIQG-QGZVFWFLSA-N 360.454 1.868 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3Cc2cccnc2)n1 100146422 MAVNBPGZYFVILF-ROUUACIJSA-N 354.454 1.895 0 40 FDAB COC(=O)c1cc(=O)c2cc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)ccc2o1 72324503 IEYKNHMQYZKWMO-KGLIPLIRSA-N 359.334 1.875 0 40 FDAB biogenic COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccc(O)cc2)n2nnnc2N1 10232493 RWKYURDZAYRKAE-AWEZNQCLSA-N 367.321 1.297 0 40 FDAB COc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3C)cc2)cc1 67896912 UDWSKNZVJQUDGL-IEBWSBKVSA-N 370.405 1.838 0 40 FDAB biogenic,in-vitro C[C@H](C(=O)NCc1cccnc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957181 DZPAYIKIWWOYMK-LLVKDONJSA-N 369.393 1.831 0 40 FDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3595339 UAQLRTHCHCFCHV-KRWDZBQOSA-N 365.817 1.356 0 40 FDAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)NC1CCC(O)CC1 48648978 MZBKDKNRPSUORL-UHFFFAOYSA-N 370.413 1.033 0 40 FDAB COc1ccc(-c2nc([C@@H]3CN(C(=O)N4CCOCC4)CCO3)no2)cc1 96000542 DMNQATKRUQYBBF-HNNXBMFYSA-N 374.397 1.571 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3ccccc3)n2C)CC1 6140041 QKQRPSBRCCQPFA-UHFFFAOYSA-N 359.455 1.265 0 40 FDAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(=O)[nH]n1 5266986 IDNBSKKSPFZOJG-UHFFFAOYSA-N 374.378 1.094 0 40 FDAB CN(C)CCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118867 LROBPJGFCKAGLY-UHFFFAOYSA-N 354.410 1.902 0 40 FDAB CC(C)n1nnnc1SCC(=O)N(C)C[C@@H]1COc2ccccc2O1 14140879 NBTOKARLVYWTIV-GFCCVEGCSA-N 363.443 1.645 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ccc2c(c1)OCO2 14199482 UDBCYYWXODCDDK-UHFFFAOYSA-N 352.346 1.370 0 40 FDAB CCc1[nH]c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)c1C(=O)OC 14120804 WTHXGSHIIYYKRM-UHFFFAOYSA-N 367.402 1.453 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)CCC2 14140737 KVYSAFOSLKSPJY-SFHVURJKSA-N 356.447 1.776 0 40 FDAB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(S(C)(=O)=O)cc1 14248471 IXEMHIRVCPFVKO-UHFFFAOYSA-N 357.391 1.492 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(OC)c1 5523550 WGSLSOJAXOWOKW-CQSZACIVSA-N 352.412 1.383 0 40 FDAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6639568 FAOJBAYQJZHKAT-LLVKDONJSA-N 354.428 1.607 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccn1C)n2CC 6652952 WOOHXVSUEKOJKR-UHFFFAOYSA-N 373.413 1.402 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)c1 7835825 ZWXLZACDNTXAAU-UHFFFAOYSA-N 371.437 1.995 0 40 FDAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)N2CCNC2=O)s1)C1CC1 7936534 LIAZMXJZIFPHCQ-MRVPVSSYSA-N 369.472 1.476 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 8074500 KPSMLFDPPKALSM-UHFFFAOYSA-N 362.405 1.149 0 40 FDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)NCC1CCCCC1 9743822 IVDQYAGTGQKTLL-ZDUSSCGKSA-N 357.414 1.904 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NN2C(=O)c3ccccc3C2=O)c1C 9834179 SLXKEYYXUXJYEK-UHFFFAOYSA-N 355.350 1.749 0 40 FDAB COc1ccc(CN2CCO[C@@]3(CNC[C@@H]3c3cccnc3)C2=O)cc1 306135194 OKJWMAPBQTUWHZ-UYAOXDASSA-N 353.422 1.575 0 40 FDAB Cc1cc(C(=O)N(C)CC(=O)N2CCC(O)CC2)nn1-c1ccccc1 89600889 UCXOPNFPOBGJOU-UHFFFAOYSA-N 356.426 1.236 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)NC3(C(=O)O)CCCCC3)cnc12 89689046 SAWUWTSKYSXXLQ-UHFFFAOYSA-N 357.410 1.999 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(CCCn3ccnc3)C2=O)cc1 89634953 WPXBKMVHBOOFQZ-UHFFFAOYSA-N 369.381 1.011 0 40 FDAB Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)cn1 76432982 OPWOMIQXUPNOMF-KRWDZBQOSA-N 364.405 1.460 0 40 FDAB CC(C)CCN1CCC2(CC1)Cn1c(nn(CC3CC3)c(=O)c1=O)N2C 306142862 XMRUTUYOWGHTCV-UHFFFAOYSA-N 361.490 1.146 0 40 FDAB Cn1nnnc1SCC(=O)Nc1nc2ccc(C(=O)O)cc2s1 1505839964 VDHIOMMJGZTERP-UHFFFAOYSA-N 350.385 1.249 0 40 FDAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)c1ccc2c(c1)OCCO2 72325035 HPAMPDANYDFSPT-ZDUSSCGKSA-N 369.421 1.712 0 40 FDAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cnn2c(=O)cc[nH]c12 559261594 SVWOTFXTQOOJJK-CYBMUJFWSA-N 357.439 1.651 0 40 FDAB COC(=O)c1ccc2c(=O)n(C)c(SCc3oc(=O)oc3C)nc2c1 36646338 KPPMSLYWQBPIQW-UHFFFAOYSA-N 362.363 1.867 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)n3ccnc3)CC(=O)N1CC2 72342252 LCDNXTIHGFMVQS-AWEZNQCLSA-N 356.382 1.310 0 40 FDAB CCN(Cc1ncc(C(=O)O)c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49468531 GKDJZUOFZZQNCL-UHFFFAOYSA-N 371.802 1.332 0 40 FDAB COC1(c2nc(-c3ccccn3)no2)CCN(CC(=O)NC2CC2)CC1 569946327 QOCLPINJOHSCFS-UHFFFAOYSA-N 357.414 1.348 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 41428024 BNVYGNWEPYMYEW-UHFFFAOYSA-N 366.370 1.514 0 40 FDAB COc1cc(=O)n(CC(=O)NCCCO)nc1-c1ccc(Cl)cc1 96184174 SLHVPQLWOXLVOZ-UHFFFAOYSA-N 351.790 1.071 0 40 FDAB C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nnc2ccccn12 95478208 LMKPQUJACJBHKD-CYBMUJFWSA-N 366.425 1.432 0 40 FDAB Cc1nccc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)n1 257283282 OXQMZDMKVFSWRE-MRXNPFEDSA-N 355.442 1.720 0 40 FDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc2c(c1)OCCO2 250018121 KONMVBWFMSRUME-ZFWWWQNUSA-N 360.410 1.327 0 40 FDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)Cc3cccnc3)C2)ncn1 257301749 RZURIFMATQPFIS-LJQANCHMSA-N 355.442 1.212 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1C(N)=O 257221340 DOOWZMMNULNNTR-SFHVURJKSA-N 367.405 1.637 0 40 FDAB CCCn1cc(CN2CCO[C@H](c3nccc(CNC(C)=O)n3)C2)cn1 257292545 QMAPXMSBHPPQHB-KRWDZBQOSA-N 358.446 1.293 0 40 FDAB Cc1nonc1CC(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C 257284626 PDNPWXYGLRWGJK-OPNNQBFTSA-N 364.490 1.783 0 40 FDAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)c1 257279231 OFQYHPKPBLUHMM-QGZVFWFLSA-N 356.426 1.653 0 40 FDAB Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCN(C)C[C@@H]1C(C)C 1605518841 JHQKIORRWLYPTB-QGZVFWFLSA-N 356.474 1.825 0 40 FDAB O=S1(=O)CC[C@@H](CNCc2ccccc2-n2nnc3ccccc32)C1 1620708760 BTBUYAIJNFUUEB-AWEZNQCLSA-N 356.451 1.945 0 40 FDAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)CCc1ccc(OC(F)F)cc1 643856092 UKGZFWZCKGVEOQ-GFCCVEGCSA-N 366.324 1.308 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(C2CCOCC2)n1 644365793 AHYWCTMIRQXAHY-CQSZACIVSA-N 358.446 1.458 0 40 FDAB COc1cc(NC(=O)N[C@@H]2CC23CCOCC3)cc(S(C)(=O)=O)c1 653145110 FFISELRNUNTOIA-CQSZACIVSA-N 354.428 1.789 0 40 FDAB O=c1[nH]c2cc3nc(-c4cnc(NC[C@H]5CCCO5)nc4)[nH]c3cc2[nH]1 67803575 LTBHZRSPEIEYTR-SNVBAGLBSA-N 351.370 1.780 0 40 FDAB CC(C)CCC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575403385 IXASEPIGYRPLCA-INIZCTEOSA-N 352.475 1.822 0 40 FDAB CO[C@@H]1CN(C(=O)CCn2cncn2)C[C@]12C[C@@H](c1ccccc1)CO2 585294030 IIYUNUKBCBTTKJ-ZHALLVOQSA-N 356.426 1.468 0 40 FDAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@@H]1C 585097981 QCJYTQSUHXUNQC-AWEZNQCLSA-N 372.425 1.403 0 40 FDAB O=C(CCn1ccccc1=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585270703 ADHDNAFLJJJLGN-ROUUACIJSA-N 358.413 1.972 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1cnccn1 585096432 NGUGSEWLLRWWFA-GFCCVEGCSA-N 366.381 1.413 0 40 FDAB COc1ccc(F)c(CNC[C@H]2C[C@H](c3nnc(O)n3C)C[C@H]2O)c1 685941624 ZYBWWFIQGKVBEY-JVLSTEMRSA-N 350.394 1.313 0 40 FDAB O=C(NC[C@@H](O)COCC1CC1)c1cc(Cl)nc(N2CCCC2)c1 72311685 TXYRCWOTFOOYAA-CQSZACIVSA-N 353.850 1.853 0 40 FDAB Cc1ccc([C@H](CNC(=O)Cn2c(C)csc2=O)N2CCOCC2)o1 48234290 DIPYKIDZDPLROO-AWEZNQCLSA-N 365.455 1.309 0 40 FDAB CC(C)CNC(=O)c1ccccc1NCC(=O)NCC(=O)N1CCCC1 50783091 ARNSGQNBVSLIMM-UHFFFAOYSA-N 360.458 1.223 0 40 FDAB CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(Cc2ccccc2)C1 74447861 MLRODWMSGXXSIA-SJORKVTESA-N 350.484 1.544 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 5365494 YTOQKYYKRIUYGR-UHFFFAOYSA-N 368.187 1.587 0 40 FDAB CN1C(=O)/C(=C2\SC(=O)N(CN3CCOCC3)C2=O)c2ccccc21 17142234 DUPMQOJKVXEHGK-YPKPFQOOSA-N 359.407 1.359 0 40 FDAB O=C(c1cn[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344386 RHSJWKJLFLYKEB-SNVBAGLBSA-N 356.411 1.636 0 40 FDAB Cc1noc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)n1 19665034 MIXWLNJVUWAINJ-UHFFFAOYSA-N 364.427 1.662 0 40 FDAB CNc1ncc(C(=O)N2CC[C@H](C(=O)NCCc3ccccc3)C2)cn1 19747624 MWFRNMVCPPPDQD-HNNXBMFYSA-N 353.426 1.339 0 40 FDAB C[C@@]1(NC(=O)CC2CCN(Cc3ccccn3)CC2)CCS(=O)(=O)C1 19748225 HVVOFUFJCSPZNQ-GOSISDBHSA-N 365.499 1.377 0 40 FDAB O=C(c1cccnc1O[C@H]1CCOC1)N1CCC(Oc2cccnn2)CC1 244970128 HKYQLAYNSGBWQH-HNNXBMFYSA-N 370.409 1.723 0 40 FDAB Cc1cc(C)n2nc(C(=O)N[C@@H](Cn3nccn3)c3ccccc3)nc2n1 240104248 UNGSHGRUJSIZDV-HNNXBMFYSA-N 362.397 1.504 0 40 FDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c(O)c(OC)c1 96335783 BRQHJRQXAKBVSY-CZUORRHYSA-N 362.334 1.737 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)c1C 1565554661 DCNXZYHEIDDSKN-WMZOPIPTSA-N 374.485 1.435 0 40 FDAB CCS(=O)(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 2972688 BRJQHSGBDMQDFB-LJQANCHMSA-N 374.510 1.884 0 40 FDAB COc1cnc(C(=O)N2Cc3cn(C)nc3[C@H](COCC3CC3)C2)nc1 2055754612 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1.921 0 40 FDAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(Cc2ccco2)C1 28428005 OPRWGKJHFIYRAB-CQSZACIVSA-N 356.378 1.716 0 40 FDAB CCCOc1ccc(N2C(=O)C[C@@H](N(CCCO)C(=O)CC)C2=O)cc1 2330831 LLSPVUPJDUFFRD-MRXNPFEDSA-N 362.426 1.728 0 40 FDAB CCOC(=O)c1ccoc1COC(=O)CN1C(=O)c2ccccc2C1=O 3335879 BWFUAURFEHFVFZ-UHFFFAOYSA-N 357.318 1.796 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NS(=O)(=O)c1c(C)noc1C 28233713 MNEXRKNHOGCVEU-UHFFFAOYSA-N 355.420 1.448 0 40 FDAB CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 84638302 MRZBDYPIKGCRGU-VQIMIIECSA-N 351.466 1.467 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCc2ccccc2Cl)n(C)c1=O 60212721 LVNACRSASVMFGY-UHFFFAOYSA-N 353.209 1.983 0 40 FDAB CCOC(=O)N1CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 13720126 GWYHJRYDVLDSIN-UHFFFAOYSA-N 372.425 1.589 0 40 FDAB CC(=O)NCCOC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9375917 BWLRAOCYAHCNRC-UHFFFAOYSA-N 354.428 1.072 0 40 FDAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 9419069 ZGAOGEUCVZBJKU-AWEZNQCLSA-N 358.320 1.554 0 40 FDAB NC(=O)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 7063880 JAHFRWPWIRZAIZ-UHFFFAOYSA-N 353.378 1.930 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N(C)C)CC2)cc1 16427644 JRNXGBJUBDXQBA-OAHLLOKOSA-N 353.488 1.168 0 40 FDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)C1CCN(C(=O)N2CCCC2)CC1 81707026 VYBGHFRNVAPZEM-QZTJIDSGSA-N 357.454 1.689 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1 8231065 FYTLEHKPOWWCHD-GQCTYLIASA-N 366.421 2.000 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8345746 ULVSGXFUDYOCAF-UHFFFAOYSA-N 357.370 1.049 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8744025 LEHWZWOVTNARTB-GFCCVEGCSA-N 373.482 1.253 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OC)c2)cc1 8757025 DMSQJZWOEMUQIP-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB COC(=O)CCN1CCN(Cc2nc(-c3cccs3)no2)[C@H](C)C1 95986098 MUADDCDLDJSEBW-GFCCVEGCSA-N 350.444 1.867 0 40 FDAB CC(=O)N1CCN(CCNC(=O)CCN2c3ccccc3CC[C@H]2C)CC1 76060955 XUWWTJFXIBFMFX-QGZVFWFLSA-N 372.513 1.498 0 40 FDAB C/C=C/C=C/C(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 32796330 BYLPUQVIGWLNLE-MQQKCMAXSA-N 352.398 1.079 0 40 FDAB O=C(c1ccc2oc(O)nc2c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 517050063 YTYCJDKGLXZBOX-TZMCWYRMSA-N 350.396 1.715 0 40 FDAB CC(C)CCNC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314196 JTSXGNLOPORMQA-UHFFFAOYSA-N 356.474 1.992 0 40 FDAB O=C(Cn1cccn1)NCC1(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CCC1 1062533129 CNZQUAWAWXQZHP-JKSUJKDBSA-N 360.458 1.101 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)CC1 71282896 YADUHQOADMKECW-CVEARBPZSA-N 359.426 1.650 0 40 FDAB O=C(O)c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]c1=O 224968737 HMROEHSUGXAEPW-LLVKDONJSA-N 363.395 1.036 0 40 FDAB COc1ccc2c(c1)OC[C@H](NS(=O)(=O)c1ccc3c(c1)CCO3)C2 329162681 FXSTYUOWRJTJJG-CQSZACIVSA-N 361.419 1.912 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224341220 IMAGFYNGSWCZLB-UHFFFAOYSA-N 351.432 1.418 0 40 FDAB CCN1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C(N)=O)CC1 226279389 QWPKXIJOCVRMCI-UHFFFAOYSA-N 358.364 1.453 0 40 FDAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)[C@H]1CCCO1 85555697 SGNAJBPJCCMFCG-OAHLLOKOSA-N 354.414 1.316 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 96226140 IAJXGOQULYHSQL-FZKQIMNGSA-N 358.398 1.112 0 40 FDAB O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 96036818 NQRUHNSEHZNCHQ-KRWDZBQOSA-N 370.453 1.989 0 40 FDAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2 96062634 NQQUPSSFFSUAJH-UHFFFAOYSA-N 368.485 1.847 0 40 FDAB COCCN1[C@]2(CCN(Cc3ccncc3)C2)c2ccccc2S1(=O)=O 96143055 XYJOPPBZAFGVCM-IBGZPJMESA-N 373.478 1.834 0 40 FDAB Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H](c4nc(C)no4)C3)C2)nn1 332776796 VCOOEOWNZVXSOG-LSDHHAIUSA-N 371.445 1.644 0 40 FDAB O=C(Cc1ccc(F)cc1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247846298 HFWIPIATGWKOTI-QGZVFWFLSA-N 362.445 1.708 0 40 FDAB CN(C)C(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCN1C 257211733 CAEOLTSLAHZWSH-KRWDZBQOSA-N 371.437 1.849 0 40 FDAB COc1ncccc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257210540 BVCGMFQOSCAKPF-BRWVUGGUSA-N 357.410 1.918 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)=O)CC2)[C@@H]1c1ccccc1C 257285909 PJJZGWKGZMTHRS-QUCCMNQESA-N 371.481 1.985 0 40 FDAB O=S(=O)(C[C@@H]1COc2ccccc2O1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 641537447 XYKMHHDLFDVAJL-XGUBFFRZSA-N 353.440 1.249 0 40 FDAB Cc1cc2occ(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)c2cc1C 643433235 UJTRVFHNFAZGRX-CYBMUJFWSA-N 351.380 1.373 0 40 FDAB CCOc1c(Cl)cccc1CC(=O)N1CCC[C@](O)(CC(N)=O)C1 644001054 CLFCFMOXBSRIES-KRWDZBQOSA-N 354.834 1.510 0 40 FDAB CCN1CCO[C@@H](CNCc2cccc3nccn23)[C@@H]1c1cnn(C)c1 657621845 FTOBSSPQDKXWHI-HKUYNNGSSA-N 354.458 1.619 0 40 FDAB O=C(O)COc1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 659760791 RQLACYRUMSLUBV-PBHICJAKSA-N 363.410 1.448 0 40 FDAB Cn1ncc(C(=O)N[C@H]2Cc3cnccc3NC2=O)c1Cc1ccccc1 1303212378 AAZXEOFGBKEOKW-KRWDZBQOSA-N 361.405 1.699 0 40 FDAB COc1ccc(CN2CCC3(CC2)Cn2nc(C(N)=O)cc2CO3)c(F)c1 1775961176 FDHPXRDSSPUIPW-UHFFFAOYSA-N 374.416 1.695 0 40 FDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 90610653 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CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC1CC1 13569631 QHTFZIZXIGMBFO-ZDUSSCGKSA-N 362.455 1.555 0 40 FDAB COCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 13581520 AAIKGUNKLFPMCN-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB Cc1ccnn1CCC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19238405 RKZWFMQQNVTLIG-HNNXBMFYSA-N 354.458 1.376 0 40 FDAB Cc1cc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c(C)s1 19567988 WAIRGHRNCFFCIU-UHFFFAOYSA-N 374.510 1.886 0 40 FDAB COCCC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19584708 MZGVSTBTZYICRH-UHFFFAOYSA-N 370.457 1.742 0 40 FDAB O=C(Cn1cc(NC(=O)c2cc[nH]n2)cn1)NCCc1ccccc1F 19746164 CFPNLAWKIQDFEY-UHFFFAOYSA-N 356.361 1.357 0 40 FDAB C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 6646025 UKRITCXKHZUBSA-JAYKYRCESA-N 373.384 1.952 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NCC(C)C)nc1 7051838 KGCMZPZMDXTHKN-UHFFFAOYSA-N 359.517 1.976 0 40 FDAB CCCN(C(=O)Cn1ccc2ccc(F)cc21)[C@@H]1COC[C@@H](O)[C@H]1O 643585420 IVYYOELFRXVJHQ-NUJGCVRESA-N 350.390 1.140 0 40 FDAB 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XNUGOMGFUGSHBB-CYBMUJFWSA-N 355.232 1.816 0 40 FDAB CCCCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2C(=O)O)CC1 95424201 AZPJAJMBUGTUQA-AWEZNQCLSA-N 360.476 1.294 0 40 FDAB C[C@@H](O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 95410183 RPJGYZMMNONNEO-GFCCVEGCSA-N 374.890 1.967 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 3440698 GGQIXONSIVBVPA-CQSZACIVSA-N 358.394 1.962 0 40 FDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95455002 KUEBJHVFIKDWPN-INIZCTEOSA-N 370.457 1.650 0 40 FDAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C1CC1 29959278 BSHQDSPQXCKZPV-AWEZNQCLSA-N 359.451 1.975 0 40 FDAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 46572919 ANHZTLDSNZKZHI-NSHDSACASA-N 363.439 1.970 0 40 FDAB CCOc1ncccc1C(=O)OCC(=O)NC(=O)c1ccccc1OC 3513257 CZIFXAURJSKNCS-UHFFFAOYSA-N 358.350 1.602 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 12971601 HTLAMUNLSFWYGL-KUHUBIRLSA-N 372.377 1.689 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 12940316 HCRYHSPWHOSFCH-WAWZGNHOSA-N 371.437 1.911 0 40 FDAB COc1ccc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2c1 19619071 WLHPLEZWQUFPNX-UHFFFAOYSA-N 350.440 1.459 0 40 FDAB CCCN1CCN(c2ncc(C(=O)Nc3ccc(OC)cc3)c(N)n2)CC1 65154805 IUDXYYWRNMFOJW-UHFFFAOYSA-N 370.457 1.852 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F 65565286 HPSLQFDXAAQWLM-CABZTGNLSA-N 364.439 1.943 0 40 FDAB COc1ccccc1CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 14180727 UDZDLDHJBFKEDP-UHFFFAOYSA-N 353.378 1.677 0 40 FDAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc(OCC(N)=O)cc1 4694159 ICCRCCASCBWKIN-IUODEOHRSA-N 362.430 1.510 0 40 FDAB CN(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 6734348 AUMPZSZSIXOGSL-UHFFFAOYSA-N 366.373 1.879 0 40 FDAB CCOC(=O)C1CCN(C(=O)COC(=O)COc2cccc(C)c2)CC1 5785800 SUIDQXKYYWHPOR-UHFFFAOYSA-N 363.410 1.719 0 40 FDAB CCc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 15302750 IQEVNGDECORWTC-YJBOKZPZSA-N 359.470 1.899 0 40 FDAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NC2CC2)C1=O 15395180 LSYAKXWFZHOLAO-OAHLLOKOSA-N 366.215 1.495 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)COc3ccccc3)cc2NC1=O 8014366 VXAJNWZZSQXPGP-GFCCVEGCSA-N 369.377 1.540 0 40 FDAB Cn1cc(Br)cc1C(=O)N1CCN(c2ncccn2)CC1 17299637 FHGZUFPPFHFBJY-UHFFFAOYSA-N 350.220 1.540 0 40 FDAB COC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 17440564 INRHQDCYHOMTPK-UHFFFAOYSA-N 366.373 1.428 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)O[C@@H](C)C(=O)NC1CCCC1 17891153 GBLGBCUYXJLHNB-LBPRGKRZSA-N 374.445 1.246 0 40 FDAB NC(=O)NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 8708195 VBUPXGAGIGTIDA-UHFFFAOYSA-N 355.379 1.068 0 40 FDAB O=C(COc1c(CO)cc(F)cc1CO)Nc1ccc2c(c1)OCCO2 8881335 HJGFNPDUNCGUCA-UHFFFAOYSA-N 363.341 1.599 0 40 FDAB Cn1cnc2cc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)ccc21 75327499 PODSZYNIEJLDGL-QGZVFWFLSA-N 362.393 1.632 0 40 FDAB CC(C)CCc1noc(CN2CC[C@@H](OCCN3CCOCC3)C2)n1 89821184 LLUUGIIVBGLTCN-MRXNPFEDSA-N 352.479 1.581 0 40 FDAB CCc1nsc(N2CCN(CC(=O)NCC3CCCCC3)CC2)n1 76063614 NUJSRIUCNILVCQ-UHFFFAOYSA-N 351.520 1.919 0 40 FDAB CC(C)(O)C1CN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 548363185 SBWNFXWVNOMGFO-QGZVFWFLSA-N 359.470 1.632 0 40 FDAB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1C1CC1 22803123 NVAXYSQVJUAYSW-UHFFFAOYSA-N 358.486 1.519 0 40 FDAB CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccco3)CC1)COC2 306131849 KQTYROIUWXXTGI-UHFFFAOYSA-N 373.457 1.824 0 40 FDAB COCCN(CCOC)C(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 306137639 RCARBWNMWVEWGN-INIZCTEOSA-N 360.458 1.836 0 40 FDAB Cc1ccc(S(=O)(=O)N2[C@@H](C(N)=O)C[C@H]3C(=O)CCCC[C@H]32)cc1 212416898 NENCOZKRLZPYQB-RBSFLKMASA-N 350.440 1.371 0 40 FDAB biogenic CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)cc2)CC1 71284894 NPYQTBKUDDSSIN-GJZGRUSLSA-N 359.426 1.370 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1 224273764 URBOGMNJMLLCLP-UHFFFAOYSA-N 350.400 1.123 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099623 CJDDCUHCGXBHSN-UHFFFAOYSA-N 369.381 1.588 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)[C@@H](c2ccccc2)C1 578483236 BSKOYODIWGEOAC-GOSISDBHSA-N 374.462 1.991 0 40 FDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 96208781 ONYKZUOZAOZIQS-UZLBHIALSA-N 355.438 1.446 0 40 FDAB O=C(COCC[C@@H]1CCOC2(C1)CN(c1ncccn1)C2)N1CCCC1 247742189 OYCAVCAJENOCIH-MRXNPFEDSA-N 360.458 1.491 0 40 FDAB CN(C)C(=O)c1cnn2c(C3CCN(c4ncccn4)CC3)ccnc12 257338767 YYWYYYXZAVNYMJ-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1cccnc1 257324489 WOWRLMYWKVYBAD-IBGZPJMESA-N 355.442 1.294 0 40 FDAB CC(C)c1ncc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)cn1 257274172 NJWFYFJWEAXVNX-SFHVURJKSA-N 356.430 1.103 0 40 FDAB Cc1cccc(O[C@@H](C)CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 266517924 HJXLJTIQLANVRW-UONOGXRCSA-N 355.460 1.095 0 40 FDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 1615589415 POASZKRNFZXENV-BZSNNMDCSA-N 368.437 1.392 0 40 FDAB CCOc1ccccc1CCNC(=O)C(=O)NC1CC2(CO[C@H](C)C2)C1 1262251335 QELSTBFVTGRDQP-PCVOSPCESA-N 360.454 1.818 0 40 FDAB COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)O)c(F)c2)n1 489023832 QDDRPPPKNHAHLX-SECBINFHSA-N 357.363 1.729 0 40 FDAB Cc1c(C(=O)O)cccc1S(=O)(=O)N1CCC(Cn2cnnc2)CC1 650441892 NUZVDYXZFVXYGB-UHFFFAOYSA-N 364.427 1.386 0 40 FDAB CN1C[C@@H](COCc2ccncc2)CC12CN(C(=O)c1ncccn1)C2 585093892 NIHGSGPWJHYWGU-INIZCTEOSA-N 353.426 1.235 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@@H]2C 585098156 VGBSQUWRGKPZPU-GFCCVEGCSA-N 354.414 1.918 0 40 FDAB CC(C)CCC(=O)N1Cc2cncn2[C@@H](C(=O)NCC2CCOCC2)C1 585096131 SUTSRAOULMFIIV-QGZVFWFLSA-N 362.474 1.745 0 40 FDAB O=C(N[C@]1(CO)COc2ccccc2C1)c1ccc(Cn2cncn2)cc1 585124065 DMICGNYMEMKQNH-HXUWFJFHSA-N 364.405 1.422 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 585277575 NDFKUNKVPXEWIO-HXUWFJFHSA-N 362.470 1.448 0 40 FDAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942991 ZHQHSAWLNQBKJR-NWDGAFQWSA-N 356.304 1.708 0 40 FDAB COc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2=O)ccn1 1776007931 NCJXHPRQUALWTA-CQSZACIVSA-N 355.394 1.733 0 40 FDAB C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 55348748 DODIIEPEUZNGAU-RDJZCZTQSA-N 367.453 1.514 0 40 FDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCN1C(=O)Cc1ccccc1 61648998 VUXHWNWFYPHRSV-OTWHNJEPSA-N 371.481 1.200 0 40 FDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)[C@@H]1n1cccn1 632377095 SXPXOOWUQCJFDV-BZPMIXESSA-N 371.846 1.939 0 40 FDAB COC(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 5267918 OMUOBOQKAMBYDV-UHFFFAOYSA-N 352.350 1.607 0 40 FDAB C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)cc(C(=O)O)n1c23 5394023 KOXGRRHCYGGBTG-SNVBAGLBSA-N 361.373 1.544 0 40 FDAB C[C@@H](C(=O)NCCCN1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13675209 RSLDBDHAHLIQBN-AWEZNQCLSA-N 371.478 1.582 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(Cn2cncn2)cc1 13692317 LHKKPTFHZJBRIM-UHFFFAOYSA-N 363.377 1.691 0 40 FDAB O=C1N[C@]2(CCc3ccccc31)CCN(C(=O)CCCN1CCCC1=O)C2 19375193 WWPVLUCGICOJGT-OAQYLSRUSA-N 369.465 1.736 0 40 FDAB COc1ccc(Cn2nnnc2[C@@H](c2ccncc2)N2CCOCC2)cc1 19556176 JGFYGFHNRHIBEI-GOSISDBHSA-N 366.425 1.547 0 40 FDAB Cn1cc(-c2csc(NC(=O)C[C@H]3SC4=NCCN4C3=O)n2)cn1 19661163 YHERNZNOURRXMB-SNVBAGLBSA-N 362.440 1.186 0 40 FDAB NC(=O)Cc1csc(NC(=O)C2(c3ccccc3F)CCOCC2)n1 19662212 GTTGZEPIIGDFIR-UHFFFAOYSA-N 363.414 1.997 0 40 FDAB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 205747534 CTOIUFSFDXVDGS-IZZDOVSWSA-N 353.352 1.619 0 40 FDAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N(C)Cc3c[nH]nc3C)ncn2)C1 685941295 CCAJAWVGGDGGHA-HOTGVXAUSA-N 359.478 1.300 0 40 FDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 8404751 MSHTVYSTJOUMSG-NSHDSACASA-N 365.238 1.849 0 40 FDAB O=C(CN1CSCC1=O)Nc1ccc(I)cc1 3383338 SUUJSWPSPBJIGH-UHFFFAOYSA-N 362.192 1.763 0 40 FDAB COc1cc(C(=O)N2C[C@@H]3OCCN(Cc4csc(C)n4)[C@@H]3C2)on1 1565544143 FDLHTIXTYZOMEW-OCCSQVGLSA-N 364.427 1.174 0 40 FDAB CCc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)NC(C)C)C2)cn1 1565548516 DLMALGAEIDJCEB-CQSZACIVSA-N 356.430 1.032 0 40 FDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338296 VWFSUGSSBAQJDE-UHFFFAOYSA-N 350.313 1.409 0 40 FDAB COC(=O)C1=NO[C@]2(CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 4744996 QFUYYJMZPSFFPR-AWEZNQCLSA-N 357.149 1.945 0 40 FDAB CN(C)CCCn1cc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12322382 MEZAEDJPZFMIKA-UHFFFAOYSA-N 358.417 1.797 0 40 FDAB O=C(NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)O1)c1cccnc1 2055830433 QWPOCFXWNRTVKU-MBOZVWFJSA-N 373.453 1.388 0 40 FDAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@@H]1CCCO1 2298109320 NSVMYFVGHWGORD-CABCVRRESA-N 373.444 1.251 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C(N)=O)cc1 4496223 YRHUWQGXMGZCHK-UHFFFAOYSA-N 352.437 1.958 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 40149004 XYYZDTIXBBNKJP-CHWSQXEVSA-N 371.430 1.790 0 40 FDAB Cc1ncsc1C(=O)NC1CCN(c2cn[nH]c(=O)c2Cl)CC1 50955026 SFPRHVWXZVDLAV-UHFFFAOYSA-N 353.835 1.587 0 40 FDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(C(N)=O)CC2)c1 21578881 BQROUSBBHRMLRG-UHFFFAOYSA-N 360.458 1.304 0 40 FDAB COc1ccc(COC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1OC 32895630 DPKUTUZBPIIBKF-AWEZNQCLSA-N 371.393 1.386 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 33165418 CARRUGWNLSKGAU-KRWDZBQOSA-N 355.369 1.865 0 40 FDAB CS(=O)(=O)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 47696765 QSWMAYQEEIFDOX-OAHLLOKOSA-N 374.462 1.744 0 40 FDAB Cc1nc(NC(=O)CSc2nnnn2C)nc2c1C(=O)CC(C)(C)C2 9048645 KGTVTIVEXYKKRG-UHFFFAOYSA-N 361.431 1.194 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 54128069 JLTMQOYRKRYRPL-UHFFFAOYSA-N 370.500 1.208 0 40 FDAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1C 4720915 LUAJMPQKLHGVMY-NMIHRBCNSA-N 374.477 1.488 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNCCC(C)C)CC2)cc1 4897781 OMHDSEYSTQBLBL-UHFFFAOYSA-N 367.515 1.464 0 40 FDAB Cc1ccc2c(c1)N(CC(=O)OCC(=O)NCc1ccccc1)C(=O)CO2 4898685 UVDOGBVLKSIPFJ-UHFFFAOYSA-N 368.389 1.580 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102593019 CNMSUOHMSSSKFU-GZXFCSGKSA-N 364.401 1.881 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2Cl)CC1 12543070 OOJFWVFRRQSDKU-GFCCVEGCSA-N 350.850 1.839 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccccc2S(=O)(=O)CC)CC1 57801462 SLZYAVCZBDSJHW-UHFFFAOYSA-N 368.455 1.831 0 40 FDAB COc1ccnc(N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)n1 58193527 ZXDWBPKJDKOSHR-UHFFFAOYSA-N 355.442 1.509 0 40 FDAB CC(C)(CNC(=O)CN1CCS(=O)(=O)CC1)c1cccc(Cl)c1 58192622 XKCQPBIEQNNANZ-UHFFFAOYSA-N 358.891 1.464 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)no1 101452356 KUCXECHSLQLWLB-ASKNOMKYSA-N 365.389 1.586 0 40 FDAB O=C(COC(=O)c1ccc2[nH]ncc2c1)NC[C@H]1COc2ccccc2O1 29323160 OXRASUDTYJCHAG-AWEZNQCLSA-N 367.361 1.676 0 40 FDAB O=C(NCCC(=O)N1CCN(C(=O)C2CCCC2)CC1)c1ccccc1 29323356 OOAOSSKSXIBUJD-UHFFFAOYSA-N 357.454 1.668 0 40 FDAB CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccoc3)c2)CC1 29806937 HALTUYRXNOTBTD-UHFFFAOYSA-N 363.439 1.858 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@@H]2C([C@H]21)C34c1ccccc1 104284686 OJBCEBJEDIRAOB-VUVJARLESA-N 355.397 1.970 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O 12005902 KVQLXSISTZNQAQ-CQSZACIVSA-N 372.446 1.972 0 40 FDAB O=C(NCc1ccnc(-n2cccn2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 48312118 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100421780 MZOGZDBHDYRXRZ-YGTYGHESSA-N 372.352 1.801 0 40 FDAB O=C(CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1)NC1CC1 36389809 QRYCFXCYBUIWPB-UHFFFAOYSA-N 372.494 1.652 0 40 FDAB NC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 2452943 ASEYNGQTDQAIRF-UHFFFAOYSA-N 359.440 1.346 0 40 FDAB O=C(CN1CSCC1=O)Nc1nc2cc3c(cc2s1)OCCO3 11751527 FMQYAUMPJYCVCK-UHFFFAOYSA-N 351.409 1.539 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 50429297 XXNMGUZZNJVTJM-CABCVRRESA-N 355.438 1.557 0 40 FDAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12882381 DBZVRSIREXOPDN-XHDPSFHLSA-N 371.231 1.909 0 40 FDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3424563 IISODODIQOYDKZ-UHFFFAOYSA-N 365.411 1.512 0 40 FDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 408612017 XXQFKUPXTDBFDN-ZDUSSCGKSA-N 358.460 1.293 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)cc1 19660158 LTLIORDGWNEMFK-IBGZPJMESA-N 365.433 1.576 0 40 FDAB COCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 14189012 ZCWMQWHCXMDJHW-UHFFFAOYSA-N 374.768 1.400 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)C(C)C 4682404 ZTSQAHTWRCIGRU-WBVHZDCISA-N 372.421 1.935 0 40 FDAB COc1cc(SC)ccc1C(=O)OCC(=O)N1CCN(C(C)=O)CC1 6612328 DXVSDARXSZQERI-UHFFFAOYSA-N 366.439 1.265 0 40 FDAB O=C(NN1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 14798450 PPBRUFJSPDLSHD-UHFFFAOYSA-N 350.378 1.363 0 40 FDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(Cl)ccc1OC 15299297 HXIYGCDIBBVIJB-CQSZACIVSA-N 374.890 1.474 0 40 FDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)OCCCO2 7051856 KOQXGBBTYXQBNI-UHFFFAOYSA-N 373.394 1.624 0 40 FDAB Cn1c(SCCN2C(=O)c3ccccc3S2(=O)=O)nnc1C1CC1 7235278 VGXJKMNZPGERNW-UHFFFAOYSA-N 364.452 1.629 0 40 FDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7709302 WTUVLUBQCIJJGG-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB Cc1nc2ccccc2n1CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 8164134 BPCJWZAGXPYDNQ-UHFFFAOYSA-N 370.434 1.818 0 40 FDAB Cn1cnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8394620 CPMPUKVAIFBSPN-ZDUSSCGKSA-N 359.411 1.201 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH]c2ccccc12 8582893 YPSPENBNSISPNA-UHFFFAOYSA-N 362.341 1.981 0 40 FDAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)N1CCOCC1)S2 20060473 VXHPFNKZNZATJK-KGLIPLIRSA-N 363.418 1.344 0 40 FDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(Cl)n1 83937352 YIDGWTIGIPCTDF-UHFFFAOYSA-N 374.784 1.776 0 40 FDAB O=C(c1ccc[nH]c1=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 9762164 OWHJAZSPRMOMAU-UHFFFAOYSA-N 369.465 1.876 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8996498 MOTVYCMGUMRTJW-CQSZACIVSA-N 367.453 1.192 0 40 FDAB Cc1cnccc1N1CCCN(C(=O)[C@H]2CC3(CCNCC3)CN2)CC1 72145118 NTZXFLFMBDXEMI-QGZVFWFLSA-N 357.502 1.160 0 40 FDAB O=C(NCc1ccccc1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 97019977 RGPDAKIZWIZZCZ-MRXNPFEDSA-N 351.472 1.137 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccco1 97062443 DFPJKWDKSHUUFV-LLVKDONJSA-N 370.452 1.760 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H](C)Oc1ccccc1Br 95964556 QNGSZQDMQDOVOO-MRVPVSSYSA-N 368.187 1.540 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2NCc1n[nH]c(=O)c2ccccc12 20528519 ZVXUEVUWMJTANM-SFHVURJKSA-N 367.361 1.899 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408595501 SARZEEXEPJIETA-CHWSQXEVSA-N 350.440 1.658 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c(O)n1 502317385 HVOOXQFKFJMBAS-WBVHZDCISA-N 352.394 1.725 0 40 FDAB CC(C)c1nnc(COc2ccccc2S(=O)(=O)N2CC(CO)C2)o1 521397010 HIBOYGLSFQFMIJ-UHFFFAOYSA-N 367.427 1.385 0 40 FDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(C)n2)CC1 306142104 WPONQZSFNOZYDY-UHFFFAOYSA-N 354.458 1.570 0 40 FDAB C[C@@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1cnnn1 524732858 VIMPNTKOVXVNKQ-JTQLQIEISA-N 363.219 1.768 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C 36614568 IIUYNMDJGSEQAS-UHFFFAOYSA-N 351.354 1.231 0 40 FDAB COc1ccc([C@@H](CC(=O)NCCCO)c2oc(C)cc(=O)c2O)cc1 1547138849 URSXHDGJQQICNN-OAHLLOKOSA-N 361.394 1.683 0 40 FDAB biogenic CN1C(=O)COc2ccc(C(=O)Cn3cnc4ccsc4c3=O)cc21 36353314 WUKRLQXJPWBOFO-UHFFFAOYSA-N 355.375 1.696 0 40 FDAB O=C(O)Cn1cc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 563282161 MVKCCRIAESZBGY-LBPRGKRZSA-N 371.319 1.430 0 40 FDAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)NCCN4CCCC4=O)[C@@H]32)Oc2ccccc21 72334264 WWMFRIHLOWXDTR-AZVUBCEASA-N 368.433 1.785 0 40 FDAB Cc1cc2nc([C@@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)cc(N)n2n1 72339784 FJRUZFKICCWQPT-OAHLLOKOSA-N 366.473 1.856 0 40 FDAB O=S(=O)(Cc1ccccc1F)N1CCC[C@@H](Oc2cnccn2)C1 225478247 QKKIUKNKADIVQO-CQSZACIVSA-N 351.403 1.989 0 40 FDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCO2 85877187 ZRWKBJZZDVUTGE-AWEZNQCLSA-N 367.361 1.885 0 40 FDAB biogenic CC(=O)N1c2ccc(S(=O)(=O)NCCc3ccn(C)n3)cc2C[C@H]1C 331568157 DHGHUOVWVDVPGM-GFCCVEGCSA-N 362.455 1.239 0 40 FDAB CC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)CCC[C@]2(C(=O)O)C1 96064255 CQOSFQDRULQYKJ-PXNSSMCTSA-N 358.438 1.791 0 40 FDAB C[C@@H]1Cc2c(NC(=O)/C=C/c3ccc4c(c3)OCO4)nn(C)c2NC1=O 97604827 NWAXOLZVGPMUSF-DFVUYQKZSA-N 354.366 1.931 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 96230447 VQZNJLMLNOPMOQ-NRFANRHFSA-N 364.449 1.921 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN(C(=O)c1ccccn1)C2 96060789 UCSDXPYBYOTHAT-AWEZNQCLSA-N 364.409 1.562 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CO2 96073267 OWVLMPXTCDIOTM-CYBMUJFWSA-N 350.419 1.326 0 40 FDAB COc1cccc(CC(=O)N2CCn3nnc(COCC4CC4)c3C2)c1 96084274 MXRLZGYEKOFLGU-UHFFFAOYSA-N 356.426 1.798 0 40 FDAB COc1ccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)[C@@H]2CCOC(C)(C)C2)cc1 95476759 ISAVIWIMOCTFJM-GFCCVEGCSA-N 360.414 1.845 0 40 FDAB CC(=O)NCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257289013 PWQGLYNGZQUKGQ-QGZVFWFLSA-N 363.433 1.548 0 40 FDAB COc1ccccc1CN1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257272575 NCXQGBPJWNNHCN-VQIMIIECSA-N 359.426 1.464 0 40 FDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCc3ccnn3C)C[C@@H]21 257265887 MATIUPGBNWFPNC-HYVNUMGLSA-N 354.458 1.516 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2F)CCN1C(C)C 257264350 LTZWWDNNGDTTJO-OAHLLOKOSA-N 351.422 1.262 0 40 FDAB COCC(=O)N1CCC(Cc2cnc(-c3cncc(C(=O)O)c3)cn2)CC1 257321233 WASOGPSUSDUNFA-UHFFFAOYSA-N 370.409 1.664 0 40 FDAB O=C(Nc1ccccc1C(=O)NN1CCS(=O)(=O)CC1)c1ccccc1 255187846 HCYBDKUKPRJWKG-UHFFFAOYSA-N 373.434 1.314 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257316502 VFWZSCRQCVXRID-AWEZNQCLSA-N 357.366 1.476 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)cc1 257287456 PQBBERZWAQTYKO-QZTJIDSGSA-N 355.390 1.886 0 40 FDAB COc1ccccc1CC(=O)N1CC[C@H](c2ncc(CNC(C)=O)[nH]2)C1 257310602 UFVVXLIENDOUBV-HNNXBMFYSA-N 356.426 1.613 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)C)nc1 257277586 NYOGOGFXFIHLGJ-YRXWBPOGSA-N 373.428 1.770 0 40 FDAB O=C(OCc1ccccc1)N1CCN2C[C@H](Cc3cncnc3)OC[C@H]2C1 257218879 DESAEZBDFNLDOI-MOPGFXCFSA-N 368.437 1.741 0 40 FDAB Cc1ccc(C)c(-n2cnc(=O)n2Cc2nnc([C@@H]3CCCOC3)o2)c1 643648054 LOAJEAPEURUPNU-CQSZACIVSA-N 355.398 1.976 0 40 FDAB CCOc1cc(CN2CCC[C@](O)(CC(N)=O)C2)cc(Cl)c1OC 643745913 ZLERZNRTEQLCEH-KRWDZBQOSA-N 356.850 1.950 0 40 FDAB O[C@H]1CCN([C@H]2CCC[C@H]2NCc2ccc(CN3CCOCC3)cc2)C1 643960304 RNWLUXWBPVJOIL-HBMCJLEFSA-N 359.514 1.596 0 40 FDAB CC(C)(C(=O)O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 649455115 DCRISEMIVWYSFV-UHFFFAOYSA-N 368.333 1.577 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)cc1 672164093 KPFOAGZYLXXIMI-UHFFFAOYSA-N 359.451 1.756 0 40 FDAB CO[C@]1(COc2ccccc2C)CCN(C(=O)COc2ncccn2)C1 585275493 BPKQGNMSXWJXJU-LJQANCHMSA-N 357.410 1.860 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCCn2cccn2)CCO1 585278111 QMTOLYPLMMHHSA-FQEVSTJZSA-N 357.454 1.804 0 40 FDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(Br)cc1 1251585308 MPOSIVAPFLBDBW-UHFFFAOYSA-N 369.244 1.406 0 40 FDAB O=C(c1cncc(O)c1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155436 HWXTZASRCHGSEB-FQEVSTJZSA-N 367.405 1.825 0 40 FDAB Cn1c(O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c(=O)c2ccccc21 5447798 UAGQQEVZQNQSHK-UHFFFAOYSA-N 371.780 1.972 0 40 FDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCc4ccccc43)n2)o1 12182883 QWYCGKLYZIJMHI-UHFFFAOYSA-N 350.378 1.983 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cn3ccnc3)nn2c1O 12221273 CQGOOCSXAZPOBN-HNNXBMFYSA-N 354.414 1.866 0 40 FDAB CC(C)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 12281505 HQQHLNGGHKTQFM-UHFFFAOYSA-N 371.485 1.530 0 40 FDAB CC(C)NC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 17807449 PRPKCNFQALMFDV-UHFFFAOYSA-N 369.377 1.330 0 40 FDAB Nc1c(C(=O)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)cnn1-c1ccccc1 19374424 ACZAQDBDXONLPG-ZDUSSCGKSA-N 364.409 1.913 0 40 FDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)NC(C)(C)C)CC2)cc1 21150878 IFRKHJSOHKYBHH-UHFFFAOYSA-N 357.462 1.596 0 40 FDAB C[C@]1(NC(=O)CSc2ccc(C(F)(F)F)cn2)CCS(=O)(=O)C1 9367656 HZOIQMWBUCHYKA-LBPRGKRZSA-N 368.402 1.886 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)n1 1888860232 CRRGMQFCNDGBLA-OKILXGFUSA-N 369.450 1.302 0 40 FDAB O=C(c1ccc(O)nc1)N1CCC(COc2ccc3nccn3n2)CC1 1888879154 YCNGYSXUZVHRES-UHFFFAOYSA-N 353.382 1.761 0 40 FDAB Cc1cc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n2nccc2n1 1888897922 VAJRVSYGZCHQLR-STQMWFEESA-N 369.404 1.553 0 40 FDAB COc1cccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCCCC3)C2)c1 1888930292 MSOVGPWSMSIRIP-QGZVFWFLSA-N 361.442 1.347 0 40 FDAB Cc1ncn(CC(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)c(=O)c1C 252569025 VUMPGZWWQKVFLL-WKILWMFISA-N 356.426 1.762 0 40 FDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(=O)n(C)n2)cc1 10324879 CETXPSDHXOXJHF-UHFFFAOYSA-N 360.395 1.853 0 40 FDAB Cc1ccsc1S(=O)(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055730260 RWRUYSUUNZJXTR-LLVKDONJSA-N 355.485 1.942 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)CC(C)C)CC1 2055738925 ALCFEFXESNWLBP-UHFFFAOYSA-N 368.503 1.725 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ncccc2C)CC1 2055708208 VAKLGRYOFUETDY-UHFFFAOYSA-N 357.458 1.340 0 40 FDAB Cc1nccn1-c1cc(NCCNC(=O)COc2ccccc2)ncn1 36705839 PCGVBCFSXZLKHB-UHFFFAOYSA-N 352.398 1.578 0 40 FDAB COCCNC(=O)[C@H](C)Oc1nn(C)c2ccc(Br)cc12 226754702 LBTQIOQRDUVQDL-VIFPVBQESA-N 356.220 1.866 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCC2)C1 40092036 AYZWKNITWHMNMS-OAHLLOKOSA-N 350.484 1.896 0 40 FDAB NC(=O)[C@H]1CC(C(=O)NCC2(c3ccccc3)CC2)=NN1c1ccccc1 30621128 BCGYPVBXTYVPER-GOSISDBHSA-N 362.433 1.955 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 32722578 FHSPIPCEEDNKSV-IAGOWNOFSA-N 350.374 1.207 0 40 FDAB CC(C)CN(CC(C)C)C(=O)CN(Cc1ccccn1)S(C)(=O)=O 32935613 MHHVQVDYISNBDZ-UHFFFAOYSA-N 355.504 1.984 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCO2 42043052 URIDNZXUKDKWBC-HNNXBMFYSA-N 352.456 1.094 0 40 FDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2ccc(F)c(F)c2)CC1 849474 WOKQFWXMZVKSIJ-UHFFFAOYSA-N 357.382 1.754 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 61719427 CRVNYRFYSCFBAS-AWEZNQCLSA-N 374.416 1.955 0 40 FDAB CC(C)CN(CC(N)=O)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 54174230 KTTVYXBFPONTTQ-UHFFFAOYSA-N 356.352 1.624 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@@H](C)C(=O)[C@@H](C)[C@H]3[C@]23C=C[C@H]1O3 4041332 VEGDJTLZYKPHPF-MJMBPWCGSA-N 371.389 1.499 0 40 FDAB COC1=C[C@]23[C@@H]4[C@@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@]2(C=C1)[C@@H]3[C@@H]56 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LYTANYJRBJGNPQ-UHFFFAOYSA-N 365.349 1.333 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 28325425 PJWYJDRSEVUKNX-AWEZNQCLSA-N 366.439 1.280 0 40 FDAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 20037394 JRWCCFMQJMCBTM-NSHDSACASA-N 362.382 1.848 0 40 FDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(C)=O)nc(C(C)C)nc21 36803164 LHXGDJHVZKGXIG-UHFFFAOYSA-N 350.444 1.705 0 40 FDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 2627986 MAQDBUKRAGAVKT-QGZVFWFLSA-N 351.406 1.774 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccn2)CC1 12846731 IJGODIHCBPBVFK-QGZVFWFLSA-N 356.426 1.778 0 40 FDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 3440693 GGQIXONSIVBVPA-AWEZNQCLSA-N 358.394 1.962 0 40 FDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(Br)o1 3526326 ZWFIOEPVLKYFLE-UHFFFAOYSA-N 355.144 1.494 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1C 12934644 ZRQCZBNZROQBOL-OAHLLOKOSA-N 369.421 2.000 0 40 FDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCC(F)(F)F 12924128 XHNKPHFKZMRKEK-SNVBAGLBSA-N 352.378 1.761 0 40 FDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679616 PTIDBFVQLIDHLF-UHFFFAOYSA-N 359.407 1.087 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2OC)c2ccccc2O1 7253092 SAAJKFNQEQJGIL-KRWDZBQOSA-N 355.394 1.647 0 40 FDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 7216593 HHCNRUDSYIOEOO-LLVKDONJSA-N 371.402 1.903 0 40 FDAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 7306313 GUOAZSJCERBSNA-HNNXBMFYSA-N 351.355 1.955 0 40 FDAB COc1cc2c(cc1OC)CN(Cn1nnn(-c3cccs3)c1=O)CC2 8106605 OQOJPGXMVQWBNZ-UHFFFAOYSA-N 373.438 1.524 0 40 FDAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(N)=O)n2C)C(C)C)cc1 409165748 BIKQSPKIYUDIDE-CQSZACIVSA-N 361.471 1.828 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc2nsnc12 19079189 ZFZSDKJUBBNRTG-UHFFFAOYSA-N 374.403 1.475 0 40 FDAB CN(CC(=O)NC(=O)NCC(F)(F)F)CC(=O)Nc1ccc(F)cc1 8884629 NEEWXTJHVIWVEP-UHFFFAOYSA-N 364.299 1.084 0 40 FDAB COC(=O)CCN(C(=O)CCCNC(=O)C(C)(C)C)C1CCOCC1 72303825 WOKLSOWUAYYMLD-UHFFFAOYSA-N 356.463 1.500 0 40 FDAB CN(C)C(=O)c1ccc(N(C)Cc2cccs2)c(S(N)(=O)=O)c1 95431845 FHKASYKQZSEWEN-UHFFFAOYSA-N 353.469 1.734 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCO[C@H](C(C)C)C1)n2C 95994285 WXALSCAWJQBEMH-ZDUSSCGKSA-N 363.462 1.080 0 40 FDAB Cc1nnc2ccc(N3CCN([C@@H]4Cc5ccccc5[C@H]4O)CC3)nn12 89740946 WQUGJHBFPROCLT-VQIMIIECSA-N 350.426 1.213 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCC[C@H](O)C(F)(F)F)C2=O 545284653 MYFHNDGHOHNBEM-SKDRFNHKSA-N 358.316 1.409 0 40 FDAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306138298 RUOPJGRORNAWRK-UHFFFAOYSA-N 369.425 1.632 0 40 FDAB Cc1ccc(Cn2cccc(NC(=O)[C@@H]3CCCS3(=O)=O)c2=O)cc1 517755259 SHKGUNWDALZCSM-INIZCTEOSA-N 360.435 1.721 0 40 FDAB CC(=O)N1CCN(c2ccc(C(=O)O)cc2I)CC1 39951861 QFJDQPFSPUSIGE-UHFFFAOYSA-N 374.178 1.658 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC2(CC1)OCCS2 70637307 ADTGENQDUNIONP-UHFFFAOYSA-N 355.481 1.933 0 40 FDAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225900222 RTHMYYLXTISBAA-UHFFFAOYSA-N 364.519 2.000 0 40 FDAB O=C(c1ccno1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239029 FOIWUNXONFDQEB-SFHVURJKSA-N 355.350 1.673 0 40 FDAB COCCC(=O)N1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 96254306 SULUZVUOQBYGKA-UHFFFAOYSA-N 363.462 1.055 0 40 FDAB CC(C)CC(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244190 FSXHMMRQJHELNM-LJQANCHMSA-N 360.458 1.360 0 40 FDAB Cn1cncc1CN[C@H]1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96241519 QODMNJWZGGLDKU-SFHVURJKSA-N 374.510 1.948 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96240537 OIAIDMYPZZHZKF-FXAWDEMLSA-N 369.469 1.900 0 40 FDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cnn(C)c2N)cs1 583621396 CCBMANICFWBIIA-AAEUAGOBSA-N 366.466 1.452 0 40 FDAB CN1CC[C@H](COCC2CC2)CC12CN(S(=O)(=O)c1cccnc1)C2 248117767 JCNKSOWBOGQWEJ-INIZCTEOSA-N 365.499 1.593 0 40 FDAB O=C(Cc1noc(C2CCN(CC(F)F)CC2)n1)NC[C@H]1CCCO1 585084205 JUJWBJMQUBUVAK-GFCCVEGCSA-N 358.389 1.352 0 40 FDAB Cc1cc(C)n2ncc(CN3CCOC[C@H]3c3cc(O)nc(C)n3)c2n1 257328450 XFRJDCBPSPWEFR-INIZCTEOSA-N 354.414 1.724 0 40 FDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccnn2CCc2ccccc2)C1 621243194 OPUKNXIGQLXKKI-OAHLLOKOSA-N 363.439 1.611 0 40 FDAB CN(Cc1ccccc1)CC1CCN(C(=O)CN2CCOCC2=O)CC1 280404856 GWADFLQNGUVJLO-UHFFFAOYSA-N 359.470 1.216 0 40 FDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2ccnc2C1 644359059 UWXUPNBTCXGXAG-FQEVSTJZSA-N 354.454 1.643 0 40 FDAB COc1ccc(Cl)c(N2CCN(CCN3C(=O)N[C@H](C)C3=O)CC2)c1 649649902 APMHESPJXCQBQM-GFCCVEGCSA-N 366.849 1.411 0 40 FDAB Cc1ccc2cccnc2c1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)O 681571183 RERVQCRMGJCGEY-GXTWGEPZSA-N 364.423 1.701 0 40 FDAB O=c1[nH]c(CCNC2CCN(c3ncccn3)CC2)nc2ccccc12 95521468 RDACFVGVMYTIOK-UHFFFAOYSA-N 350.426 1.514 0 40 FDAB COCCn1cc(S(=O)(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1 656647637 WOTGVDGCPYXVAV-AWEZNQCLSA-N 365.411 1.297 0 40 FDAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426022 KTZWCUOTRXATRB-HNNXBMFYSA-N 354.453 1.433 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@@H]12 585109431 OVWFVGYWLIWSPH-KURKYZTESA-N 358.438 1.459 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)nc1 585097594 NDSVBZLZHBZNJM-INIZCTEOSA-N 355.442 1.333 0 40 FDAB O=C(c1ccnc(F)c1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 585100930 HQSIPKFPGHRLME-GOSISDBHSA-N 355.373 1.670 0 40 FDAB C[C@@H]1CCCN(C[C@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C1 585104831 UAELPUBIUXSCRY-HZPDHXFCSA-N 361.490 1.558 0 40 FDAB Cn1ccc(C(=O)N2CC(F)(F)C[C@]3(CCN(CC4CC4)C3=O)C2)n1 585093418 VQHDIDAVCBMYPR-MRXNPFEDSA-N 352.385 1.530 0 40 FDAB CC(C)[C@@H](CNC(=O)c1cccc(-n2cncn2)c1)N1CCN(C)CC1 72286026 GKHGECDDJVUIPN-GOSISDBHSA-N 356.474 1.269 0 40 FDAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCC(=O)NC(C)(C)C 55045207 KKSOLWUCCPJBNG-LLVKDONJSA-N 352.456 1.985 0 40 FDAB O=C(c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)N1CCc2ccccc21 585188785 PYIQEZMVPCWSJX-AWEZNQCLSA-N 371.462 1.934 0 40 FDAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCOCC1 1772594995 NQKCQRQNXUJZBJ-BZUAXINKSA-N 351.447 1.083 0 40 FDAB CCOC(=O)O[C@H]1[C@@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 5201866 GBCMJKZDSFXSIL-IAODNVIUSA-N 354.355 1.375 0 40 FDAB O=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CCCC1 12113694 PGFBVGDTCNNXQC-UHFFFAOYSA-N 373.501 1.584 0 40 FDAB Cc1nonc1CC(=O)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12143224 WPOQQGYKFLTSDN-UHFFFAOYSA-N 371.376 1.577 0 40 FDAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2ccccc2F)CC1 14220205 BTMDUKSDNWUEPV-UHFFFAOYSA-N 353.401 1.915 0 40 FDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)CC(C)C)C2)c2cccnc21 19446247 AFULZBXUQNJFFL-OAHLLOKOSA-N 357.458 1.929 0 40 FDAB CNc1cc(CNC(=O)c2ccnc(OC)c2)nc(-c2ccncc2)n1 19592344 GWSBBPSHCVMCFU-UHFFFAOYSA-N 350.382 1.914 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1 19796979 QUVPXRRXEMZICO-HOTGVXAUSA-N 357.497 1.420 0 40 FDAB C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]23CO3)[C@]1(C)CCC1=CC(=O)O[C@@H]1O 253388375 QMWJARHMJRTJMQ-QGNVDWTHSA-N 366.454 1.521 0 40 FDAB biogenic,in-vitro COc1ccnc(N2C[C@@H]3CN(c4c(C)c(C)nc5ncnn45)C[C@@H]3C2)n1 1888879492 PQMHILJKYUFGGI-OKILXGFUSA-N 366.429 1.112 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@@H](N(C)c2ncc(C)cn2)C1 1889134420 HFTQDLYBKIKTTC-CQSZACIVSA-N 371.441 1.233 0 40 FDAB O=C(CCc1cncnc1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565542697 VZYKWWCBQSYYGS-GJYPPUQNSA-N 354.410 1.642 0 40 FDAB COc1cc(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)on1 1565544186 ZRGRLQRWEASZJF-UHFFFAOYSA-N 370.409 1.876 0 40 FDAB CSc1nnc(C)c(=O)n1COC(=O)c1cc2ccccc2oc1=O 4495822 WCLZGYFDWMDUQP-UHFFFAOYSA-N 359.363 1.590 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N(C)C)cc1F 11897917 LRTNIERKAXSEPQ-OAHLLOKOSA-N 355.435 1.754 0 40 FDAB COc1ncccc1C(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O 211074506 JDCZCCKBEKZJNZ-UHFFFAOYSA-N 369.381 1.473 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cccnc2O[C@@H]2CCSC2)CC1 225725348 XXBIMXQTSFFLLW-CYBMUJFWSA-N 365.455 1.880 0 40 FDAB Cc1nn(CCNC(=O)CN2C(=O)CCC2=O)c(C)c1-c1ccsc1 575613217 XESUOYLAKJMVSY-UHFFFAOYSA-N 360.439 1.494 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 575611834 YAIAAIZBECEWFD-NSHDSACASA-N 364.448 1.775 0 40 FDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(N)=O)cc1 10253179 PYVJRBNIKODHDV-UHFFFAOYSA-N 352.437 1.822 0 40 FDAB C[C@H](O)CN(C[C@H](O)COc1ccccc1Br)C[C@@H](C)O 35590854 UACNSABIGZXIHA-XQQFMLRXSA-N 362.264 1.252 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2cccnc2)CC1 40086130 JGBGCXUDGUFIAE-UHFFFAOYSA-N 352.504 1.709 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccnc1OC1CCCC1 40089428 XLXIPKILXMZOHY-UHFFFAOYSA-N 372.425 1.337 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1ccc(OC)cc1 32895492 NWEPMQGLQBFROI-UHFFFAOYSA-N 353.400 1.416 0 40 FDAB c1ccc(-n2nc(-c3n[nH]c(-c4ccncc4)n3)c(N3CCOCC3)n2)cc1 33435937 FJWMPWHPLSZOFU-UHFFFAOYSA-N 374.408 1.951 0 40 FDAB Cc1cc(C)n2c(CCCNS(=O)(=O)c3ccc(F)cc3)nnc2n1 12322563 HIZBRDJUCCPGHS-UHFFFAOYSA-N 363.418 1.791 0 40 FDAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CCNC(=O)c1ccoc1 96998199 HFMUENCBSBDRBU-WFASDCNBSA-N 355.394 1.794 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(NC(C)=O)c2C)CC1 23002933 ULMGWCSAYOMUGD-UHFFFAOYSA-N 367.471 1.954 0 40 FDAB COc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(N)=O)n1 1339664 XPLCSWOZRZXXSH-UHFFFAOYSA-N 352.354 1.086 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)OCN1C(=O)c2ccccc2C1=O 1021674 YRBPFAIBRQQYIX-UHFFFAOYSA-N 372.764 1.867 0 40 FDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4496019 XKGGSUHWNDRGKD-CYBMUJFWSA-N 371.368 1.700 0 40 FDAB COc1cccc([C@H](NS(=O)(=O)N2CCCCC2)c2nccn2C)c1 24758788 ODJHHWHYBBUUKK-INIZCTEOSA-N 364.471 1.838 0 40 FDAB CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 10286407 ATULGGMTWVTIKE-UHFFFAOYSA-N 362.407 1.844 0 40 FDAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298060 JTMZNAAQEJQVFK-XHSDSOJGSA-N 361.490 1.145 0 40 FDAB biogenic,in-vitro CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 34929075 GFZRHGVLPOHOPJ-UHFFFAOYSA-N 355.460 1.947 0 40 FDAB Cc1ccc(CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C(C)C)o1 58061155 HPSWVUCDUXMINH-UHFFFAOYSA-N 370.409 1.584 0 40 FDAB COCCn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 57485906 IRLAVTAMTKTYIV-UHFFFAOYSA-N 365.455 1.320 0 40 FDAB O=C(NCCc1ccccc1F)C1CCN(CCN2CCCC2=O)CC1 58214403 OAPNFKRQFDARDA-UHFFFAOYSA-N 361.461 1.819 0 40 FDAB CC(C)OCCSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 12787669 JCPAJQODLIZSAW-UHFFFAOYSA-N 366.487 1.842 0 40 FDAB CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)n(C)c2ccccc21 12729589 GYNFUMCYJFZKBR-UHFFFAOYSA-N 368.441 1.317 0 40 FDAB CN(CC(=O)Nc1c2c(nn1C)CCC2)S(=O)(=O)c1ccc(F)cc1 48310130 PPTCESYBQFYGPP-UHFFFAOYSA-N 366.418 1.307 0 40 FDAB COc1cc(C(=O)NCCC(=O)Nc2ccccn2)cc(OC)c1OC 45829579 NTTCJBZCDHMKAE-UHFFFAOYSA-N 359.382 1.866 0 40 FDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029591 LAGUKFQKXMRCEM-CQSZACIVSA-N 359.469 1.129 0 40 FDAB CCn1c(=O)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 12981835 IZXUGCRZDVZVEH-CQSZACIVSA-N 367.405 1.779 0 40 FDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 13121086 RWALKSNFFTXVRX-HUUCEWRRSA-N 359.353 1.893 0 40 FDAB CCN(CC)CCNC(=O)c1c(O)[nH]c2cc(OC)c(OC)cc2c1=O 13118895 GARSKCHTTQRBDA-UHFFFAOYSA-N 363.414 1.323 0 40 FDAB biogenic COCCN1CC[C@]2(c3ccccc3)CCN(C(=O)COC)[C@@H]2CC1=O 306142711 XGZAGZILHHUFGW-YLJYHZDGSA-N 360.454 1.441 0 40 FDAB Nc1nc(N2CCC3(CC2)OCCO3)ncc1C(=O)NCc1ccccc1 49401494 VGVAOJKRIZULAW-UHFFFAOYSA-N 369.425 1.332 0 40 FDAB biogenic Cc1nc2nccc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)n2n1 96012341 PNVZQRABQHLBIE-QWHCGFSZSA-N 374.445 1.998 0 40 FDAB O=S(=O)(c1ccccn1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000534 RDTFJLBTOKNPTA-CQSZACIVSA-N 372.406 1.894 0 40 FDAB COCCOCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)cc1C)C(=O)N2 13690925 WTTWPRBWYLGYAJ-CQSZACIVSA-N 373.413 1.580 0 40 FDAB COc1ccc2c(C)c(CCC(=O)NCCN3CCOCC3)c(=O)oc2c1 13732494 HZQNUARXAQGXMG-UHFFFAOYSA-N 374.437 1.491 0 40 FDAB CC(C)COC(=O)[C@@H](N)Cc1ccc(C[C@H](N)C(=O)OCC(C)C)cc1 4812076 CGVQIKVEDXZXHR-ROUUACIJSA-N 364.486 1.825 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1nnc(-c2ccccc2)o1 84460015 GIGZCJMRLOCWIU-OKILXGFUSA-N 369.377 1.955 0 40 FDAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NC2CCCC2)c(=O)c1CCO 67300879 ZRXKTLOYEGABFQ-UHFFFAOYSA-N 373.428 1.951 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1 22915281 AMTZMMJOIHPIIB-KRWDZBQOSA-N 358.486 1.562 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2nc3ccccc3[nH]2)c1=O 17304412 PIPMMPCAGYZGIP-UHFFFAOYSA-N 363.377 1.698 0 40 FDAB Cc1cc(C)n(CC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 17732863 NYXHDYKEAKOUOL-UHFFFAOYSA-N 370.409 1.574 0 40 FDAB CCn1cnnc1CNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 83843662 HUDLATKCTWBPHE-JKSUJKDBSA-N 359.430 1.332 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 9667957 CXDPDKAKIFFBKQ-KBPBESRZSA-N 370.471 1.356 0 40 FDAB COCCn1nc(C)c(CNC(=O)CN2CCc3sccc3C2)c1C 84013908 HWIVBBRRHWYQHP-UHFFFAOYSA-N 362.499 1.882 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1 409002213 MIZKGIRZPYIRIJ-OAHLLOKOSA-N 371.393 1.975 0 40 FDAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306131023 JUXHHPAUOUKVFY-AWEZNQCLSA-N 367.413 1.662 0 40 FDAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NCC(C)C)=C1 20468615 LLXMCGGCCPKWIB-UHFFFAOYSA-N 351.428 1.331 0 40 FDAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F 31811945 AGZOKHPEBQCMNA-INIZCTEOSA-N 364.352 1.908 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NCc1ccccc1 217593804 RFAOVKRXZRQKQW-UHFFFAOYSA-N 364.423 1.658 0 40 FDAB COCCNC(=O)N1CCN(c2nc3c(OC)cccc3s2)CC1 38934692 JWXMORHPJMSZRV-UHFFFAOYSA-N 350.444 1.783 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 224027626 UMPYEIQHMXILSF-XJKCOSOUSA-N 352.456 1.621 0 40 FDAB CO[C@@H](C(=O)N1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1 82120279 ZRHWJRCGRRRWPE-GOSISDBHSA-N 358.442 1.476 0 40 FDAB NC(=O)c1ccc(CNC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)o1 527785226 INJOTKLSGHIKKW-UHFFFAOYSA-N 367.409 1.892 0 40 FDAB COc1ccccc1-c1c2c(=O)n(-c3ccn[nH]3)ccc2nc2ncnn12 40398222 KWLZXYPTWXOOIZ-UHFFFAOYSA-N 359.349 1.827 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1O 80338558 GKCMTZXXRJKQHL-CYBMUJFWSA-N 370.413 1.041 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)c1 96253174 AQHRBKOIECTVMS-HYVNUMGLSA-N 364.467 1.395 0 40 FDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(C4CCOCC4)C3)N2C1 514289487 MKFXZIZFICAIKJ-WOJBJXKFSA-N 357.498 1.171 0 40 FDAB biogenic,in-vitro CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(C(=O)c1cccs1)C2 96056970 BORAWNDDFRWHJN-MAUKXSAKSA-N 366.483 1.864 0 40 FDAB CCN1C[C@]2(CC1=O)CN(C(=O)c1cccnc1)CCN(C(=O)C(C)C)C2 96036187 CQHDXRHYFJGNOI-FQEVSTJZSA-N 372.469 1.261 0 40 FDAB Cc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C2CCC2)C3)n1 247863451 HFWYVZJNAXEIJU-HNNXBMFYSA-N 350.484 1.948 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 248150029 XEOHNQCPARRTBZ-FUHWJXTLSA-N 365.499 1.882 0 40 FDAB N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257286727 PMTMSOINPPYKBK-PBASOCQRSA-N 371.456 1.856 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)s1 257243898 IJARBVICFASWPF-OAHLLOKOSA-N 358.467 1.572 0 40 FDAB Cc1nc([C@]2(C)CCCN(C(=O)C3CCOCC3)C2)nc2c1CC(=O)N2C 257203192 AOZXQXGCQXFXKP-HXUWFJFHSA-N 372.469 1.611 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)/C=C/C(=O)O 257320439 VWVLALFPHLNMBL-UEKDZROGSA-N 370.409 1.060 0 40 FDAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)COC)CC1 257282038 OSBFNMPRFSTBQW-SHTZXODSSA-N 362.474 1.995 0 40 FDAB O=C(O)C[C@]1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCOC1 263113795 WPGKFCCLIDVTSS-OAHLLOKOSA-N 371.315 1.805 0 40 FDAB O=C(c1ccc(OC(F)F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 263813539 NVHDSXVGLACKLE-CYBMUJFWSA-N 374.409 1.233 0 40 FDAB C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](S(N)(=O)=O)C1)[C@H]1C[C@H]2CC[C@H]1C2 374929378 LBJDACLGLFEPLR-OSLXHZNNSA-N 357.520 1.069 0 40 FDAB NS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3cccc(F)c3)CCC2)C1 616466936 YSIHVBZKGKSAHM-LBPRGKRZSA-N 355.435 1.237 0 40 FDAB O=C1CN(C(=O)CCCC(=O)N2CCC(Cc3ccccc3)CC2)CCN1 604418761 ACNIUVQCPIGOIV-UHFFFAOYSA-N 371.481 1.596 0 40 FDAB Cc1ccc(-c2nc(N)n(S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 606422370 RAPGSOIZFQQQIB-UHFFFAOYSA-N 372.406 1.844 0 40 FDAB C[C@H]1CCCN(C[C@@H]2CC3(CCN(C(=O)c4ncnn4C)CC3)CO2)C1 585104830 UAELPUBIUXSCRY-HOTGVXAUSA-N 361.490 1.558 0 40 FDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1nn(C)c2ccccc12 585094850 QDPAGTSZHLQLCG-ZDUSSCGKSA-N 353.426 1.910 0 40 FDAB CC(C)[C@H](C(=O)Nc1nnc2ccccn12)N1C(=O)c2ccccc2C1=O 58197091 CCCGLJYIXJCCQQ-OAHLLOKOSA-N 363.377 1.989 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(-n2cncn2)cc1 59301388 ALLSDFVPBHQDER-UHFFFAOYSA-N 370.434 1.991 0 40 FDAB CCOCCCC(=O)N1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2 585086034 ORGUYWDJKPFCDV-UHFFFAOYSA-N 369.462 1.836 0 40 FDAB CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)CC1 11113317 ZVPRROMFJGBWNS-UHFFFAOYSA-N 369.805 1.118 0 40 FDAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC 12239756 HOYRERXXSQWLOX-AWEZNQCLSA-N 350.463 1.725 0 40 FDAB CCn1c(SCc2nc(N)c3ccccc3n2)nnc1N1CCOCC1 12534239 UBDLIZGJCLZMIX-UHFFFAOYSA-N 371.470 1.952 0 40 FDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C1(c2cccc(F)c2)CC1 643586274 SAGOKOYNOMCHBO-XYPHTWIQSA-N 351.418 1.464 0 40 FDAB O=C(COC(=O)CNC(=O)c1ccccc1)NCCCc1ccccc1 4965091 DYKROVXSHRFURX-UHFFFAOYSA-N 354.406 1.709 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@H]3C2)c1 1888855777 ITBZSUVALMOGAG-KBPBESRZSA-N 354.458 1.716 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccnc(O)c5)C[C@H]4C3)n1)CCC2 1888867017 ZTLASLZWXLCYSW-GASCZTMLSA-N 365.437 1.583 0 40 FDAB COc1ccc2nccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1 1889258102 SSAYTNUCIWTSKZ-UHFFFAOYSA-N 371.418 1.821 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccccc2Br)CCO1 574041272 KBTDNWRADZRWMA-LLVKDONJSA-N 364.217 1.064 0 40 FDAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1565542894 AAJBIQWOSXMSRM-CRAIPNDOSA-N 373.482 1.544 0 40 FDAB CCOC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518916 GQFRCPFVWXDFIX-CQSZACIVSA-N 351.380 1.474 0 40 FDAB CC(=O)Nc1ccc(SCCCC(=O)N2CCC(C(N)=O)CC2)nn1 11793483 KFUCBNVJSGPIPK-UHFFFAOYSA-N 365.459 1.031 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2cccnc2)CC1 2055750663 OORPOTLGOPUYDD-UHFFFAOYSA-N 368.437 1.923 0 40 FDAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 20357449 GXXZAEDMHKRVMI-JQIJEIRASA-N 364.490 1.993 0 40 FDAB O=C(CCc1nnc2ccc(NC3CCCCC3)nn12)N1CCOCC1 32096027 SCIFMPBTDPOTFY-UHFFFAOYSA-N 358.446 1.660 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 32863561 OYHWKTJSHBEPHN-LJQANCHMSA-N 360.502 1.875 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 665819 NDWGGCRQNRMLEH-UHFFFAOYSA-N 370.452 1.892 0 40 FDAB Cc1coc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 596282 DLVZMAABIXCZHP-UHFFFAOYSA-N 359.357 1.943 0 40 FDAB in-vitro C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)[C@H]1C[C@H]2CC[C@H]1C2 104722560 DIECMOVIMYFRFO-YYFQZIEXSA-N 365.503 1.885 0 40 FDAB C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 3453327 BTGPTWGKXXKXMQ-LBPRGKRZSA-N 367.471 1.208 0 40 FDAB C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 3984051 MFYSYFVPBJMHGN-VPELLDEPSA-N 360.450 1.990 0 40 FDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(C)c2)n(C)c1 24478515 HEKFWGRACLYQQG-UHFFFAOYSA-N 367.475 1.061 0 40 FDAB COCCCNC(=S)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4888594 GCFWATOLGBSXTC-UHFFFAOYSA-N 353.463 1.931 0 40 FDAB Cc1cccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 59483897 YGVITPIRDWKVCT-UHFFFAOYSA-N 369.446 1.902 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)Oc2cc(OC)ccc2C(N)=O)c1 12764480 CXWMSWKJPKUGSY-UHFFFAOYSA-N 365.363 1.348 0 40 FDAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53141929 KHZQEFNSELEOTN-CQSZACIVSA-N 362.354 1.100 0 40 FDAB CN(C)CCCNC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 103461081 OCOGYDZPKCBYMP-IYBDPMFKSA-N 371.485 1.666 0 40 FDAB Cc1sc2nc(CCC(=O)N3CCc4cncnc4C3)[nH]c(=O)c2c1C 95396187 CMVHFRHEGVHUGZ-UHFFFAOYSA-N 369.450 1.909 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@H](C)O[C@H](C)C1 58291096 JVSIXBYAROMUFQ-BBWFWOEESA-N 361.490 1.259 0 40 FDAB CN1C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2C1=O 48342781 MVIDRACEKKFXQN-LLVKDONJSA-N 367.361 1.493 0 40 FDAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3cn(C)nc3C)[C@H]2C1=O 101343689 HBSIKVMRKLNXKS-UKRRQHHQSA-N 374.784 1.683 0 40 FDAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3549080 HHVBVOXFMKAVJM-INIZCTEOSA-N 366.805 1.341 0 40 FDAB Cn1nc(C(=O)NCCCN2CCCC2=O)c(Cl)c1C(F)(F)F 2777857 DWJSIAXEAYKXSE-UHFFFAOYSA-N 352.744 1.835 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nn1cnc2ccccc21 12939439 PWPNCYASDAZZHJ-UHFFFAOYSA-N 358.423 1.979 0 40 FDAB Cc1ccc(CNC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 9117851 SZNSGWBHGMYBNI-UHFFFAOYSA-N 359.451 1.321 0 40 FDAB CCCNC(=O)CN1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 19538102 VJQUNVLETFSEMH-UHFFFAOYSA-N 362.474 1.161 0 40 FDAB CC(C)c1nnc(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1C 95467353 JOMAKBPPVAPKBM-GFCCVEGCSA-N 357.414 1.369 0 40 FDAB COc1ccc(-c2noc(CNC(=O)CCNc3ncccn3)n2)cc1 13730542 GVUQGMJSKJBJPX-UHFFFAOYSA-N 354.370 1.654 0 40 FDAB O=C(CCn1cnc2sccc2c1=O)N1CCN(c2ccccn2)CC1 14063209 SZHQTXDXVJIQNY-UHFFFAOYSA-N 369.450 1.592 0 40 FDAB CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C 4511928 PRLBPZZRXKAQHT-STQMWFEESA-N 365.459 1.870 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COCc2ccccc2)C1 6733565 RNQFBQHVXRAHLH-IPMKNSEASA-N 354.450 1.845 0 40 FDAB biogenic CC(C)N1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 67336203 GBWPQTBXKFTZOY-UHFFFAOYSA-N 361.471 1.422 0 40 FDAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(-n2cnnn2)cc1 7250863 YPZWTWVCTFUEBY-UHFFFAOYSA-N 363.377 1.799 0 40 FDAB CC(=O)c1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 16991510 NSUFPVUCMZQWJM-UHFFFAOYSA-N 351.366 1.485 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95477070 IUWDVTQGQZLDFU-CYBMUJFWSA-N 367.384 1.809 0 40 FDAB Cc1ccc(-n2nc(C)c(C(=O)NCCC(=O)N3CCCC3)n2)c(C)c1 8747764 GOQVEBQCSFDQHB-UHFFFAOYSA-N 355.442 1.935 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CCN(C)CC1 83967036 NCKZOGRHSOSJQA-UKRRQHHQSA-N 364.877 1.197 0 40 FDAB Cc1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1 73760944 MKVBAQPKRQKFDP-QGZVFWFLSA-N 368.437 1.844 0 40 FDAB OCCN1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 48302930 DMYRGHSOUBVWLP-UHFFFAOYSA-N 356.348 1.865 0 40 FDAB O=C(O)c1nnn(-c2ccc3c(c2)OCO3)c1CSc1ncccn1 85398252 NBJZQWUOFVEISB-UHFFFAOYSA-N 357.351 1.777 0 40 FDAB CC(C)NC(=O)N1CC[C@@]2(C1)CN(C(C)C)Cc1cnc(N(C)C)nc12 306145167 ZZVJYBVSEQBMEB-LJQANCHMSA-N 360.506 1.828 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@@H](COCc3ccccn3)CCN2C)C1 306137821 RHIGCWSYNQPVKO-INIZCTEOSA-N 367.515 1.734 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408561433 SJYSXNSLVOSANZ-INIZCTEOSA-N 368.499 1.775 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35485419 GHLXWEHCRWFQQO-CLHQCHDXSA-N 355.438 1.842 0 40 FDAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1ccco1 77144007 SLISGONOSZQUHU-UHFFFAOYSA-N 353.425 1.839 0 40 FDAB O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@H]1CCCN1 35191223 VAYWSLSKPMDOAK-OAHLLOKOSA-N 350.850 1.811 0 40 FDAB Cc1nc(=O)c2ccccc2n1C1=CCN(CC(=O)N2CCCC2)CC1 72348242 FWWYVHPBHDUKGT-UHFFFAOYSA-N 352.438 1.874 0 40 FDAB O=C(CCc1nc(-c2ccccc2Cl)no1)NCCN1CCOCC1 41184666 XONYEHDXMSDOJW-UHFFFAOYSA-N 364.833 1.771 0 40 FDAB COc1ccc(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 225732230 DSJHGLPPOUOLRM-INIZCTEOSA-N 370.471 1.537 0 40 FDAB CS(=O)(=O)C[C@H](NC(=O)N1CCC[C@@H](CC(=O)O)C1)c1ccccc1 569908747 CGNDEQRSORMQRL-ZFWWWQNUSA-N 368.455 1.669 0 40 FDAB Cc1noc(-c2ccn3c(CNC(=O)c4csc(C)n4)nnc3c2)n1 225744084 IBUFSYQNJQFHCJ-UHFFFAOYSA-N 355.383 1.783 0 40 FDAB NC(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40395858 YRLACPZCLISVPW-UHFFFAOYSA-N 355.745 1.382 0 40 FDAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)NCC(C)(C)C 226053925 XZLKFOITOHOQCB-UHFFFAOYSA-N 354.472 1.977 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc(F)cn1)C2 96230458 GQFTZZVJZTZVOA-GOSISDBHSA-N 359.380 1.682 0 40 FDAB Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@@]3(CNC(=O)C3)C2)s1 96035996 RCUCCOIOAOQZSC-SFHVURJKSA-N 364.515 1.798 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 249680663 AXZRQPNRPFUYJC-CYBMUJFWSA-N 358.435 1.820 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]23)n1 248163673 YWFVENORIQIHIP-DZKIICNBSA-N 357.414 1.075 0 40 FDAB COc1cc(OC)c(NC(=O)NCCn2cnccc2=O)cc1Cl 585138642 VTEHUGWYMANCIW-UHFFFAOYSA-N 352.778 1.736 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257319705 VTRSOFJICYPWET-IBGZPJMESA-N 357.458 1.074 0 40 FDAB CC1(C)COC(=O)N1c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257245100 IOBNKTSYAASNPN-UHFFFAOYSA-N 368.459 1.426 0 40 FDAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 252003903 NSZWIIQVWGELNH-MRXNPFEDSA-N 359.430 1.294 0 40 FDAB Cc1c[nH]c(-c2cnc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)n1 257343549 ZTLGPSUQQIUIFT-ZDUSSCGKSA-N 364.475 1.236 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257255842 KJBJLPGABGSQQM-QGZVFWFLSA-N 353.488 1.791 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1 257337970 YVGLEVOGYWJZJC-GOSISDBHSA-N 355.442 1.976 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 250676804 QEMDEGFSODTGJP-RDJZCZTQSA-N 372.421 1.796 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)NCC2CCOCC2)C1 257331767 XUEMXYBHHTXWOK-GOSISDBHSA-N 364.446 1.092 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)cn1 257287244 PPDHFOVXTHVRQK-HXUWFJFHSA-N 352.438 1.420 0 40 FDAB CCOCCOc1ccc(CN2CCC[C@@]2(C)C(=O)NCCO)cc1 257259551 KYWXDGWAYDJPQR-IBGZPJMESA-N 350.459 1.565 0 40 FDAB CCOc1cccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)CC2)n1 275658016 ZESZGPRIAGWQFZ-CQSZACIVSA-N 371.441 1.670 0 40 FDAB C[C@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1cnnn1 1614475147 VIMPNTKOVXVNKQ-SNVBAGLBSA-N 363.219 1.768 0 40 FDAB CC(C)n1nnnc1CS(=O)(=O)Cc1cccc2c1OC(F)(F)O2 629316809 XHCWQYHYRMIFNV-UHFFFAOYSA-N 360.342 1.691 0 40 FDAB N[C@H](c1cn([C@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1)[C@@H]1CCCO1 656435970 IEDKBTOXPBJILY-BBWFWOEESA-N 359.405 1.464 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C 660819861 SMDBXCUMLRWYJC-VODGRUIOSA-N 368.455 1.051 0 40 FDAB NC(=O)[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)Cc1ccc(F)cc1 662407459 CIVICLXDJOQNNN-CRAIPNDOSA-N 355.413 1.821 0 40 FDAB Cn1cncc1[C@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 685309572 HKHBTQCZHQGUQH-MRXNPFEDSA-N 351.414 1.692 0 40 FDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575424444 LGKWYKWTKHKTJF-CYBMUJFWSA-N 351.877 1.928 0 40 FDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cn2nc(C)nc2C)C1 585277987 ZIAVELRWRBGFJU-LJQANCHMSA-N 358.442 1.900 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)no1 585095499 UJKZGGJSIJHFBX-INIZCTEOSA-N 360.458 1.911 0 40 FDAB CN(C)C(=O)CCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111220 JRGKSEXDMJXVQY-QGZVFWFLSA-N 370.453 1.530 0 40 FDAB Cn1cncc1[C@@H]1CN(C(=O)CC2(O)CCCC2)C[C@H]1CNC(=O)C1CC1 1775962757 CSWNPGIIBSEPAG-HZPDHXFCSA-N 374.485 1.184 0 40 FDAB COC(C)(C)C(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153940 CZDBSLIXLSGQLF-IBGZPJMESA-N 364.417 1.975 0 40 FDAB COc1ccc2nc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2c1 13789814 FINLRTFFPOENHG-JTQLQIEISA-N 369.468 1.915 0 40 FDAB COCCN1C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 14129359 DCWSTZPZBMHHDY-HNNXBMFYSA-N 362.382 1.633 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1=O 16915588 JZDXSQMJZRESAV-UHFFFAOYSA-N 355.316 1.862 0 40 FDAB COC(=O)c1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19171001 ZQDNPYMMMLZXDB-UHFFFAOYSA-N 362.407 1.692 0 40 FDAB Cc1ccccc1CC(=O)N[C@H](C)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19237095 OQWWFNATFRYNLY-OAHLLOKOSA-N 369.469 1.250 0 40 FDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@H](C(=O)Nc2ccccn2)C1 19747809 OXNPSNPNGNGUAD-AWEZNQCLSA-N 354.410 1.498 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)c1 154012785 BNIZYHUPIQNEBR-HNNXBMFYSA-N 370.519 1.776 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccn2)CC1 12846736 IJGODIHCBPBVFK-KRWDZBQOSA-N 356.426 1.778 0 40 FDAB Cn1cnc2c(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)ncnc21 1888856844 LLCJGODDAVDIQN-UHFFFAOYSA-N 364.400 1.837 0 40 FDAB Fc1cnc(OC[C@@]23CCC[C@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888888197 ROLZFXOFRLBOMP-GTNSWQLSSA-N 355.377 1.968 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cncn4C)C[C@@H]3C2)nc2ccccc21 1888909681 FKSHXKYMPFWFFP-HUUCEWRRSA-N 364.453 1.998 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238951594 XATVNVHTNOIISI-KBPBESRZSA-N 365.389 1.532 0 40 FDAB O=C(c1ccccc1)N1CCC(C(=O)N2CC[C@H](c3ncon3)C2)CC1 253473437 UWSAONNKYJSOGS-INIZCTEOSA-N 354.410 1.938 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1CC(F)(F)C1)C2 1614937468 MAKLCWSSWQCITR-QGZVFWFLSA-N 364.396 1.376 0 40 FDAB CN(C(=O)c1cn(C)cn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523024 DQHOOUOITARRHT-UHFFFAOYSA-N 366.429 1.086 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@H]21 1565545289 CRQLOJAKGGCKMB-MSOLQXFVSA-N 364.465 1.017 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(COCCN(c4nccs4)C3)C2)n1 1565549408 WNDJNQNCZJLUDX-INIZCTEOSA-N 362.459 1.031 0 40 FDAB Cc1ccc(-n2nnnc2CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 9570621 VHOSSEUIQIUTPK-UHFFFAOYSA-N 360.377 1.951 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccn1C 11898906 PPFOKTDANACUCY-CQSZACIVSA-N 358.398 1.111 0 40 FDAB COC(=O)c1ccc2c(=O)n(CC(=O)NC3CCCC3)c(=S)[nH]c2c1 16942316 ZUTZXNKLCOPYAV-UHFFFAOYSA-N 361.423 1.904 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)C2=CCCCC2)CC1 2055746480 MKFJBWVUUNOEIH-UHFFFAOYSA-N 359.474 1.782 0 40 FDAB Cc1cccn2c(=O)cc(OCC(=O)c3ccc4c(c3)NC(=O)CO4)nc12 23141309 INROKOYBMPMDJG-UHFFFAOYSA-N 365.345 1.596 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)cc1 206619322 IWMUKEFAGNIXED-INIZCTEOSA-N 352.412 1.510 0 40 FDAB Cn1nc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)ccc1=O 49523929 CRJXRMMKBUJKQD-UHFFFAOYSA-N 368.315 1.254 0 40 FDAB CN(C)CCN1CCC[C@]2(C[C@H]3CN(Cc4nccs4)C[C@H]2O3)C1=O 503868464 ZFHYTLXMVHZORG-HDMKZQKVSA-N 364.515 1.287 0 40 FDAB Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)cc1 19209253 SECABUCIZQVPMM-MRXNPFEDSA-N 364.453 1.652 0 40 FDAB NCCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 19293685 QLUXOKHJCTWGFD-AWEZNQCLSA-N 368.416 1.483 0 40 FDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccc(N4CCCC4)nc3)cc21 30296704 RTHAMNRQRKZSFI-UHFFFAOYSA-N 366.421 1.819 0 40 FDAB CN(C(=O)c1csc(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 30870141 WTTVHWROKBQGFJ-CYBMUJFWSA-N 350.465 1.993 0 40 FDAB COc1cc(OC)cc([C@H](O)[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1 40310190 QXTVBQDGUVCAMQ-AZUAARDMSA-N 370.405 1.745 0 40 FDAB biogenic Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@H]3COCCO3)CC2)s1 51279039 IYCOTRVWCDHOOG-AWEZNQCLSA-N 367.471 1.376 0 40 FDAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(O)c1 32074616 BWOWBXBNHVPTOB-CQSZACIVSA-N 367.405 1.890 0 40 FDAB O=C(Nc1cccc(C(=O)Nc2cccnc2)c1)N[C@@H]1CCS(=O)(=O)C1 32103112 BXFLISLAYZLUIZ-OAHLLOKOSA-N 374.422 1.643 0 40 FDAB O=C(O)CNC(=O)CNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 20727670 RIQBVTNFCAIOLX-UHFFFAOYSA-N 367.814 1.323 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Cl 102612549 UYDPARPIQSFIMZ-UXOAXIEHSA-N 364.785 1.221 0 40 FDAB O=C(NCCNC(=O)c1ccco1)c1ccc(S(=O)(=O)C(F)F)cc1 32908607 LEJQVIBKEMYLJT-UHFFFAOYSA-N 372.349 1.436 0 40 FDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1-n1cnnn1 103119464 RWBOTCMJUTZAIR-KBPBESRZSA-N 368.397 1.084 0 40 FDAB CNC(=O)c1ccc(CN(CCC(=O)NC(N)=O)Cc2ccco2)cc1 23186206 HFSLUDDZUPJTMK-UHFFFAOYSA-N 358.398 1.226 0 40 FDAB CC(C)C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)NCCO 79099268 NNGOGVWODMULJN-INIZCTEOSA-N 368.441 1.726 0 40 FDAB COc1ccc([C@H](CNC(=O)N2CCNC(=O)CC2)N2CCCCC2)cc1 105077975 HQEQBRNJFTYOPC-SFHVURJKSA-N 374.485 1.754 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3447822 YLELFUWPPNQQTI-UHFFFAOYSA-N 352.343 1.269 0 40 FDAB Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044098 MPMGYYYSXBITBB-PBPUNXIFSA-N 353.374 1.826 0 40 FDAB C[C@@H]1CN(CC(=O)Nc2ccc(I)cc2)CCO1 24014043 UVJYZYZZJMIKMW-SNVBAGLBSA-N 360.195 1.950 0 40 FDAB CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 24014391 UPTZGHKPKCTNFH-XOBRGWDASA-N 372.469 1.936 0 40 FDAB COc1ccc(CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 7132485 JSJIGFIEJGLGPP-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccn1 12526694 JXFAVBPFIBTZRP-MRXNPFEDSA-N 372.450 1.461 0 40 FDAB COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420386 LPXSMCWEPXOGPJ-AHXJXLJNSA-N 364.829 1.783 0 40 FDAB CC(=O)N1C(=O)/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 3200579 FOWJUPCKSPRLLK-NXVVXOECSA-N 361.382 1.720 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2O)CC1 26525677 GQXRLUJGKGUWRV-UHFFFAOYSA-N 353.378 1.649 0 40 FDAB Cc1ccc(NC(=O)CCNS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1 58218728 GFWGJUWGFMWPAY-OKILXGFUSA-N 354.476 1.531 0 40 FDAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ccccn2)CC1 51203461 VBBOKVHHMLGXCH-QGZVFWFLSA-N 363.425 1.201 0 40 FDAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 58225748 SKTIZUFPJGCIIX-IBGZPJMESA-N 374.441 1.597 0 40 FDAB COc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1 2195570 YWFYZVSYSGCWRK-UHFFFAOYSA-N 352.398 1.526 0 40 FDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O 58306697 JTONXMIIRNARDB-ZDUSSCGKSA-N 374.260 1.804 0 40 FDAB C[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C1 28018284 QDVLNEQNDPKPJV-ZDUSSCGKSA-N 353.440 1.880 0 40 FDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)C[C@H](C)CC3 2239060 TXPSLAVGQZPNHE-RKDXNWHRSA-N 359.455 1.883 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccc2c(c1)CCC2 3379158 UDIDEIDSYNBHEM-UHFFFAOYSA-N 374.418 1.896 0 40 FDAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 20040396 NMGGCEAODDYDPN-UHFFFAOYSA-N 373.906 1.817 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 6577086 UBCCBXQADQWBHP-UHFFFAOYSA-N 354.384 1.085 0 40 FDAB Cc1csc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 95360798 UDXYLMHXXCKWQB-UHFFFAOYSA-N 370.544 1.603 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 9483733 WTDDXITZCRNIQI-CYBMUJFWSA-N 369.874 1.672 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1 7276661 ODCXCDBMTPOOQW-CQSZACIVSA-N 352.460 1.252 0 40 FDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CCCO1 7392208 QMGGFUOFLKTYPR-NSHDSACASA-N 366.215 1.454 0 40 FDAB CCN1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 7990282 VHIAJPSLGCKNJI-AWEZNQCLSA-N 373.906 1.561 0 40 FDAB O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1cc(=O)n2ccsc2n1 8155971 GVBLSFTWOJTRMN-CYBMUJFWSA-N 371.374 1.589 0 40 FDAB COc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 8249009 WDWOSEYGHQIJST-UHFFFAOYSA-N 360.435 1.947 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1c(=O)cnc2ccccc21 18006433 RYGRVCFTUGBIAM-UHFFFAOYSA-N 368.368 1.633 0 40 FDAB CC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)CC1 72074559 CJRBVAZBTAFCEU-UHFFFAOYSA-N 370.478 1.993 0 40 FDAB CNC(=S)NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1 408727449 YOKMTKAKLHYBPF-UHFFFAOYSA-N 358.475 1.448 0 40 FDAB CSCc1nc2ccccc2n1CC(=O)N[C@]1(C(N)=O)CCCOC1 89493785 MHRFYBNNPCXJRS-QGZVFWFLSA-N 362.455 1.050 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1OC 409390672 LBLQHPIVXYKVHP-CYBMUJFWSA-N 370.471 1.629 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4ccncc4)C[C@H]3S2(=O)=O)cs1 306143377 YASSUXNSMDKXHX-GDBMZVCRSA-N 364.496 1.493 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 67849227 CFYIQDBZMOMUSX-AWEZNQCLSA-N 372.421 1.865 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)N[C@H](C)CCCC(C)(C)O)OCC(=O)N2 30952775 FSARTWAEUVLCQV-GFCCVEGCSA-N 370.471 1.934 0 40 FDAB CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N1CCN(c2ccccc2)CC1 35310718 QFLVSHPIHGKBMV-GOSISDBHSA-N 372.473 1.756 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1F 36360048 MBYMSXQBXYYSAE-UHFFFAOYSA-N 367.340 1.811 0 40 FDAB O=C(Cc1ccon1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 562354173 ONNTTXOIGFGIHG-GFCCVEGCSA-N 355.441 1.248 0 40 FDAB O=C1N(Cc2cccnc2)C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN12 77266156 UUBWITHGAYVHJC-INIZCTEOSA-N 372.450 1.392 0 40 FDAB biogenic,in-vitro Cc1ccc(O[C@@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)nn1 225464675 AOQSUBMKTWOXID-CQSZACIVSA-N 367.413 1.523 0 40 FDAB CCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224189800 LBTAIJRQZBSRHU-UHFFFAOYSA-N 350.444 1.728 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCc1ccnc(N2CCCCC2)n1 224209093 XHXQICCQWIMNGQ-UHFFFAOYSA-N 353.426 1.513 0 40 FDAB CN(C)C(=O)CN1CC[C@]2(CN(CC3CC3)C[C@H]2c2ccccc2)C1=O 96201906 AHGJDLSTYXDFNB-GHTZIAJQSA-N 355.482 1.803 0 40 FDAB CN(C)C(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225256 HLNDDKSCNAGNGJ-SFHVURJKSA-N 359.430 1.333 0 40 FDAB CC(C)CNC(=O)c1ccc2nnc([C@H]3CCN(C(=O)N(C)C)C3)n2c1 96156280 BUCZZEOPBMPHEJ-ZDUSSCGKSA-N 358.446 1.586 0 40 FDAB Cn1cc(CN2CCO[C@@H]3CN(C(=O)CC4=CCCCC4)C[C@@H]3C2)cn1 96108123 XIHHBEJZLLWWKI-RBUKOAKNSA-N 358.486 1.970 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](c4nc[nH]n4)C3)CC2=O)cc1 584406435 HYCNIUGSAPEWSV-CHWSQXEVSA-N 355.398 1.182 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)Cc3ccsc3)CC2)C[C@@H]1C(=O)O 96157054 JNQBHZWCSVXSNW-CQSZACIVSA-N 350.440 1.605 0 40 FDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccncc3F)CC2)N1 96199734 AVFLXQGAYAGHLG-OAHLLOKOSA-N 354.385 1.894 0 40 FDAB CCc1ccc(CN2C[C@@H]3OCCN(c4ccnc(N(C)C)n4)[C@@H]3C2)o1 96248872 SCGBURVBGHDKKL-SJORKVTESA-N 357.458 1.788 0 40 FDAB Cc1nc(CO[C@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)cs1 248012398 GJJLCHJUAUSUTN-INIZCTEOSA-N 365.499 1.824 0 40 FDAB Cc1cnc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)cn1 257287243 PPDHFOVXTHVRQK-FQEVSTJZSA-N 352.438 1.420 0 40 FDAB C[C@@]1(c2ncc(CNC(=O)c3cnn4cccnc34)cn2)CCCCO1 257318118 VMPDSYHQCWEBAM-SFHVURJKSA-N 352.398 1.865 0 40 FDAB COc1ccc(NC[C@@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 253487942 UHVCHBZRTZMATO-JFIYKMOQSA-N 369.465 1.749 0 40 FDAB Cc1nonc1CC(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257257460 KPQWLXOXNSJTDO-OAHLLOKOSA-N 359.430 1.242 0 40 FDAB Cc1ccccc1CC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1115996570 DWLFDMIOKMFCKI-UHFFFAOYSA-N 367.453 1.392 0 40 FDAB CCc1noc(COC2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)C2)n1 644220905 RXNDEWQSCCEPPQ-INIZCTEOSA-N 357.410 1.980 0 40 FDAB CC(=O)N1CCN(Cc2ccccc2NCc2ccn(C)c(=O)c2)CC1 681954697 VIIQMWAEIGHZPN-UHFFFAOYSA-N 354.454 1.662 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc(Cl)ccc1F 390830356 KMWSJPXKQJUZJI-ZDUSSCGKSA-N 374.865 1.860 0 40 FDAB O=C(NCC(=O)N1C[C@H](CO)c2ccccc21)N1CCc2ccccc2C1 293881715 JUKOWYMOLOHSMO-QGZVFWFLSA-N 365.433 1.877 0 40 FDAB Cc1nccn1CCNC(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585280792 PBZLEJPDAVLGTA-QRVBRYPASA-N 356.470 1.579 0 40 FDAB CN1C[C@H](COCc2cccnc2)CC12CN(C(=O)CC1(O)CCC1)C2 585093721 ALHFPJNHMRPNSA-QGZVFWFLSA-N 359.470 1.436 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccccc3C)C2)OC1 585103829 DCUMXSWERJWSMS-MRXNPFEDSA-N 352.500 1.915 0 40 FDAB CCc1nc(C)c(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)[nH]1 585276288 HUQZEGACEKHKFT-RHSMWYFYSA-N 357.458 1.820 0 40 FDAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 685943502 XPZCSXBIZRDCTJ-DXCKQFNASA-N 353.426 1.510 0 40 FDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c([nH]c1=O)CCCC2 68258975 AJHLCEQYIKNIMX-UHFFFAOYSA-N 369.421 1.881 0 40 FDAB COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c1F 640868285 CBZOQVVADAMPSA-OAGGEKHMSA-N 350.434 1.871 0 40 FDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1cnccn1 1289763199 OXKXDQOTXBCXTE-UHFFFAOYSA-N 354.391 1.455 0 40 FDAB COCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 5077980 LKFBJFIRTXCODN-UHFFFAOYSA-N 355.803 1.539 0 40 FDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N1CCC(O)CC1 12086839 QXFSPJQUSPSNKM-UHFFFAOYSA-N 374.437 1.054 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)[C@@H]3CCCO3)nc12 12146385 QNBNMLNTZKWTHG-CJNGLKHVSA-N 354.410 1.641 0 40 FDAB Cc1ccc(-c2nnn(C3CCN(C(=O)Cc4nonc4C)CC3)n2)cc1 12156058 LAEYPUAVBYLBGV-UHFFFAOYSA-N 367.413 1.746 0 40 FDAB Cc1cc(NC(=O)[C@H]2C[C@@H](c3ccc(F)cc3)NS(=O)(=O)N2C)no1 12159450 LBVZEAXTFYJXBB-QWHCGFSZSA-N 368.390 1.340 0 40 FDAB O=C(CCCn1ccnc1)N1CCc2nc3ccsc3c(=O)n2CC1 12221954 GTTLZCRSPCPIAJ-UHFFFAOYSA-N 357.439 1.520 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2n1 12337283 WILLTUGVMWGTDX-LBPRGKRZSA-N 370.388 1.927 0 40 FDAB Cn1c(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)cc(=O)n(C)c1=O 19288697 RUKOLCCJBCYYMG-CQSZACIVSA-N 370.434 1.254 0 40 FDAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4ncc[nH]4)CC3)cc2n1 19585739 NZSWDYBKBLIIBJ-UHFFFAOYSA-N 367.413 1.127 0 40 FDAB Cc1cc2ncc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(N)n2n1 19664230 SLUSPTKMNJTUCY-NSHDSACASA-N 353.382 1.882 0 40 FDAB Cc1nc(CC2CCN(C(=O)CCC(N)=O)CC2)cc(N2CCCC2)n1 19758852 XHKMDFVJYWASEL-UHFFFAOYSA-N 359.474 1.432 0 40 FDAB O=C(Cn1cc(NC(=O)[C@@H]2CCn3cncc3C2)cn1)NC1CCCC1 151847281 NYZDMFKAXAZHLO-CYBMUJFWSA-N 356.430 1.340 0 40 FDAB Cn1c(=O)c2c(SCCO)nc(C3CCCCC3)nc2n(C)c1=O 4341284 QIFINCCHISGZRE-UHFFFAOYSA-N 350.444 1.159 0 40 FDAB Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cnn(CC3CC3)c2)cn1 633324270 YBNLWNPDGKEAJA-MRXNPFEDSA-N 356.430 1.061 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NCc3ccccc3)nc2n1 3385588 ZQCVKAYFRNZEKN-UHFFFAOYSA-N 370.438 1.859 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4cn(C)nc4C(F)F)C[C@H]3C2)n1 1888843512 HULVTSFIJXMSAJ-TXEJJXNPSA-N 362.384 1.665 0 40 FDAB O=C(c1ccccc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888908412 JVJHMNWMFCYMHE-STQMWFEESA-N 352.373 1.472 0 40 FDAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(Cc2ccccc2)CC1 238937025 SVFDNDXJPQFNKF-WGSAOQKQSA-N 368.485 1.824 0 40 FDAB Cc1ccsc1S(=O)(=O)N1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 1260065102 YYFYBSROGOHPQP-KGLIPLIRSA-N 364.496 1.994 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)c1ccccc1 9001680 AZMDRYYDGAEMRB-UHFFFAOYSA-N 372.384 1.884 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1ccccn1 12440021 ASPVNWCKNGOWTF-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB O=S(=O)(C1CC1)N1C[C@@H](OCCCn2cccn2)[C@@H]2OCCC[C@H]21 2055738823 SREBPEOIDDSTQE-BZUAXINKSA-N 355.460 1.014 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@@H]5CC5(C)C)C[C@H]4C3)nn12 2086896567 RZGHJDCQYPJRHF-MJBXVCDLSA-N 354.458 1.627 0 40 FDAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cccnc1O 225737222 WHLNALCMBVDVDF-UHFFFAOYSA-N 353.426 1.855 0 40 FDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCOCC2)nc1 40047130 DKYIIIUXJDQTLL-IBGZPJMESA-N 366.465 1.923 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(C)nn(C)c1C 40024160 QMRBAVRQHQXPKG-SFHVURJKSA-N 368.437 1.961 0 40 FDAB Cn1cc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CC2)c(=O)n(C)c1=O 40024429 TXSAPWGKISEURG-BJMVGYQFSA-N 357.385 1.428 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1 40070330 XXRIPGXMBZMXSX-UHFFFAOYSA-N 359.536 1.790 0 40 FDAB O=C1CN(c2ccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)cn2)CCN1 30495946 NDCXYPGQRWXVHZ-LJQANCHMSA-N 365.437 1.450 0 40 FDAB NS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)cc2c1CCCC2 40151806 VOKNFCFIPWWITR-UHFFFAOYSA-N 359.451 1.580 0 40 FDAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1)N(C)CC3)OCO2 20111345 XPGIAHGGZGVSMF-INIZCTEOSA-N 365.393 1.977 0 40 FDAB biogenic CS(=O)(=O)N1CCC(NC(=O)CSc2ccc(F)c(F)c2)CC1 32771026 XRFSZNXQEVQMBO-UHFFFAOYSA-N 364.439 1.597 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)s1 32903960 YZJCUIKJKIICLT-LBPRGKRZSA-N 368.484 1.829 0 40 FDAB O=C(NCc1nc2ccccc2s1)C1=NN(c2ccccc2)C(=O)CN1 32954336 OHGLGIFTRVLDDL-UHFFFAOYSA-N 365.418 1.862 0 40 FDAB CCc1nnsc1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 53237427 IMJYNAAIXSTABI-UHFFFAOYSA-N 359.499 1.778 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 22237982 ZOBPNDLJQSWNJF-ZDUSSCGKSA-N 373.482 1.652 0 40 FDAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103627997 GVZNECSEVODKFR-QMMBQJITSA-N 358.394 1.858 0 40 FDAB O=C(CN1CCC(NS(=O)(=O)C2CC2)CC1)Nc1ccc(F)cc1 1848696599 BZBJTDMNWQMOJP-UHFFFAOYSA-N 355.435 1.310 0 40 FDAB CC(=O)Nc1nc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2s1 12408734 GSVRXRTVHPXNPT-JTQLQIEISA-N 351.409 1.295 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CCN(Cc2ccccc2)CC1 61718540 CDRVADADAFIVEX-UHFFFAOYSA-N 366.465 1.467 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 23256897 TZMYVUIEFGAYOZ-IRXDYDNUSA-N 372.513 1.408 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 2809525 GVHHAXWSYCQMPK-UHFFFAOYSA-N 353.440 1.652 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1cccc(C(C)(C)C)c1 25029158 WOASNILFAHCNEI-HNNXBMFYSA-N 362.426 1.253 0 40 FDAB Cc1nc(CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cs1 56090249 WVUJSTVHAFFXSW-UHFFFAOYSA-N 354.457 1.494 0 40 FDAB Cn1cc(O)nc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3236428 FCKMVDKNIRLYHU-UHFFFAOYSA-N 364.427 1.553 0 40 FDAB O=C(CSc1nnc2ccccn12)Nc1cc(C(=O)O)cc(C(=O)O)c1 1811793 HMTVUIWBULBEJD-UHFFFAOYSA-N 372.362 1.857 0 40 FDAB COc1ccccc1C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 103126065 NZEFWUYKXBXJIC-OKILXGFUSA-N 373.405 1.986 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc(=O)n(C)c(=O)n1C 57466859 UVHQPRLARPWMGR-UHFFFAOYSA-N 367.453 1.519 0 40 FDAB CCOC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1ccccc1 58173910 PUBRAUXMAPFGHQ-GFCCVEGCSA-N 355.437 1.937 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(F)c(F)c1F 58169917 INITXJLORIFEAS-UHFFFAOYSA-N 351.332 1.655 0 40 FDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2cccs2)C1=O 58209109 XIFNZPYJEIHMRH-QGZVFWFLSA-N 361.398 1.971 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCC[C@H]1C 36390143 OSJADYNMMZSQLB-CZUORRHYSA-N 352.456 1.706 0 40 FDAB CCOC(=O)CCN(C(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1 84793434 RVCGMEDZYQQXJP-UHFFFAOYSA-N 363.439 1.861 0 40 FDAB COC(=O)C(C)(C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 23152334 HMDGKJQWBXRDIM-UHFFFAOYSA-N 365.407 1.935 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C)cc2OC)c2ccccc2O1 29767508 FQPGVRFAPYDADB-SFHVURJKSA-N 370.405 1.923 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1 3524057 WZCZJCXZUJNFRT-UHFFFAOYSA-N 365.411 1.175 0 40 FDAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 12952505 ZCCABWLWKCXPLG-UHFFFAOYSA-N 368.480 1.542 0 40 FDAB O=C(NCC(F)(F)F)N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 12998137 VNXDDATVBYKSDE-NSHDSACASA-N 369.340 1.798 0 40 FDAB O=C(CN1CCCCCCC1=O)N[C@H]1CCS(=O)(=O)c2ccccc21 48679328 HAZFWJJZNONOMK-HNNXBMFYSA-N 364.467 1.814 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(CC)cc3)C2=O)C1 5054979 NKVILAYQBFTSID-QGZVFWFLSA-N 358.354 1.557 0 40 FDAB Cc1nc(CN(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cs1 96000075 NCVXWOFZDJNVFZ-UHFFFAOYSA-N 365.480 1.738 0 40 FDAB CN1CCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 14000164 VPTZKUZIDXRCSF-UHFFFAOYSA-N 357.451 1.146 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)Cn1cc(C(F)(F)F)ccc1=O 84576909 LUBQXJASSVDALS-UHFFFAOYSA-N 364.279 1.732 0 40 FDAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cnc2ccccn2c1=O 14848890 NZBVOOJVQBBAGC-UHFFFAOYSA-N 362.389 1.973 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1N1CCCC1=O 9376961 KHCXLFKWXHIBFO-UHFFFAOYSA-N 370.409 1.617 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccco1)[C@H]1C(=O)c3ccccc3C1=N2 6816867 GLEJBHUUHOMJAH-ZIAGYGMSSA-N 361.357 1.756 0 40 FDAB Cc1ccc(N(CCN2C(=O)CSC2=O)[C@H]2SC(=O)NC2=O)cc1 9338847 LUDKXJJNOALQQK-ZDUSSCGKSA-N 365.436 1.806 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 4922059 JYESZUGMIWKRDP-UHFFFAOYSA-N 361.785 1.955 0 40 FDAB Cc1ccc(N(CCCC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 4986215 JOYXSADIZOJCFS-INIZCTEOSA-N 354.472 1.836 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc3c(n2)CCCC3=O)cc1 20633935 HHIBIPPQTIMZEY-UHFFFAOYSA-N 360.395 1.755 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cc2nc3nc(C)cc(O)n3n2)cc1 9341639 YBBDSFGUPNQRBB-UHFFFAOYSA-N 355.354 1.496 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCCc3ccccc31)C2=O 7115047 GUGNFCYKOURZJE-UHFFFAOYSA-N 370.453 1.971 0 40 FDAB COCc1noc(CN2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 95464565 CWPLDOMHSCPMOW-BETUJISGSA-N 352.435 1.064 0 40 FDAB COC[C@@H](O)CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 95451826 USXSSNBHQVRGKA-AEFFLSMTSA-N 362.470 1.669 0 40 FDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 8154879 DCEAEEDLQBSJOE-UHFFFAOYSA-N 369.472 1.564 0 40 FDAB O=C(CC1CCCC1)NCC(=O)N[C@@H](Cn1cncn1)c1ccccc1 69926929 RXFTUAIPVPFNHQ-KRWDZBQOSA-N 355.442 1.832 0 40 FDAB CC[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1nc(C)cs1 69441970 HTLYUGRGHWJOSX-AWEZNQCLSA-N 367.519 1.754 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3S2(=O)=O)cs1 306130730 JODZAOQKWOMUBX-JSGCOSHPSA-N 367.452 1.331 0 40 FDAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-n3cnnc3)cc2)c1C 507945202 POBJMHGTFASVQP-UHFFFAOYSA-N 371.422 1.784 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)c2ncc(C)s2)CC1 182910604 HEZLHCRJKHWLML-LLVKDONJSA-N 374.532 1.668 0 40 FDAB COc1ccc(C[C@@H](CO)CNC(=O)c2cccc3oc(O)nc23)cc1O 568198216 WOIUEFIKYBWBPJ-GFCCVEGCSA-N 372.377 1.829 0 40 FDAB CS(=O)(=O)N[C@H](CC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 225950303 ZWCMBPKCOWLDBH-ZIAGYGMSSA-N 360.863 1.616 0 40 FDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CCOc2ccccc21 225879609 IQVVRTKTKSUYDH-UHFFFAOYSA-N 367.452 1.887 0 40 FDAB CCOc1ccc(F)c(C(=O)O)c1NS(=O)(=O)c1cnn(C)c1C 427248268 GAQROMCLYVCHFZ-UHFFFAOYSA-N 357.363 1.765 0 40 FDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCc1ccncc1 225401123 MYZBERVOLRONBX-ZWKOTPCHSA-N 352.438 1.650 0 40 FDAB biogenic,in-vitro O=C(c1cc(N2CCOCC2)on1)N1CCN(Cc2ccccc2)CC1 224078797 KMAYGJJHBAQDSS-UHFFFAOYSA-N 356.426 1.469 0 40 FDAB Cn1cc(CCNS(=O)(=O)c2ccc(C(C)(C)C(=O)O)cc2)cn1 579375424 IFPAPEQIOYSAHJ-UHFFFAOYSA-N 351.428 1.303 0 40 FDAB Cc1cccc(CO[C@@H]2CO[C@@]3(CCN(C(=O)c4ccnn4C)C3)C2)n1 96110876 DKPIKWKWUSEWQB-LPHOPBHVSA-N 356.426 1.714 0 40 FDAB Cn1cnc(C(=O)N2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]3C2)c1 96094161 KZRWUOWVGAVUSG-HUUCEWRRSA-N 372.856 1.847 0 40 FDAB O=C(N[C@H](c1nnn(C[C@]2(O)CCCOC2)n1)C1CC1)c1ccccc1 585091650 GOXCQUOBRVIAID-MAUKXSAKSA-N 357.414 1.096 0 40 FDAB CC[C@@H]1C[C@H]1NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 585138555 ATINSEWGXVFBOJ-LHLIQPBNSA-N 365.224 1.764 0 40 FDAB CC(C)NC(=O)CCNC(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173207 GTELUPGPJWPCLN-AWEZNQCLSA-N 359.430 1.449 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257293556 QQBBRBOAKPMTEL-HOTGVXAUSA-N 355.394 1.543 0 40 FDAB CN1CCC(Cc2ccccc2F)(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 257259591 KZALIAYWVLXPMM-HNNXBMFYSA-N 368.474 1.384 0 40 FDAB Cc1ncc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)n1C 257318909 VPXSZWSSRHEKNY-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)cn1 257338967 YZQOHFUGZDLSNS-ROUUACIJSA-N 366.421 1.080 0 40 FDAB COc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cn1 257230758 GDUJEIQOMOLGIS-INIZCTEOSA-N 355.385 1.398 0 40 FDAB Cc1cc(-c2nc(C(=O)N3CCC(N4CCOCC4)CC3)co2)ccn1 628122378 UVTDELFLIUERFC-UHFFFAOYSA-N 356.426 1.982 0 40 FDAB CC(C)C[C@](C)(CC(=O)O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 634919752 UDLYYELBAGQNNT-MRXNPFEDSA-N 362.492 1.396 0 40 FDAB CCc1nc(C)cc(N2CC[C@]3(NC(=O)[C@@H]4[C@H]5COC[C@H]54)CCC[C@H]23)n1 1615611434 LWBLZMDJEAZEEY-FUSDZUGDSA-N 356.470 1.857 0 40 FDAB Cc1ccccc1-n1nccc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 643754310 XFHMDZXTGQAWCP-FQEVSTJZSA-N 356.470 1.986 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1 644000040 ZKDJAVNPFWZFTI-HNNXBMFYSA-N 355.232 1.221 0 40 FDAB Cc1cc(=O)oc2ccn(CCc3nc(-c4ccccn4)no3)c(=O)c12 1772491338 PFPGLLMJLCPMJR-UHFFFAOYSA-N 350.334 1.951 0 40 FDAB CO[C@@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccnn2C2CCCC2)C1 1775960390 JEOVMIKFJDXVFB-LSDHHAIUSA-N 358.446 1.707 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)C1CCC1 585097566 LZJUTKYZHVFYAA-AWEZNQCLSA-N 367.453 1.840 0 40 FDAB Cc1nc(C(C)C)ccc1C(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 685943244 UGMXFRLOBBJSNU-JJRVBVJISA-N 357.458 1.926 0 40 FDAB CC(=O)Nc1nc(C(=O)N2CCN(CCOc3ccccc3)CC2)cs1 31815074 HFUTYRCRESJQCQ-UHFFFAOYSA-N 374.466 1.938 0 40 FDAB CCOc1ccccc1NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2 49006562 LGWUEDRTINHBIT-UHFFFAOYSA-N 374.422 1.349 0 40 FDAB O=C(Nc1ccccc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549163159 ZPMWWHYMPWRJTH-OAHLLOKOSA-N 370.409 1.346 0 40 FDAB CC(C)c1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1COC(C)(C)C2 12324733 RNLATWJIDQQEHJ-UHFFFAOYSA-N 370.409 1.998 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 13608650 WZEUEGHBLJCONV-VXGBXAGGSA-N 362.879 1.954 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)NC(Nc2ccccc2)=N1 14607020 RTHUDRGPYQYSLI-CYBMUJFWSA-N 352.350 1.710 0 40 FDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCCCC2)c1 16089087 PSPYDTHFOHCMMW-UHFFFAOYSA-N 355.412 1.871 0 40 FDAB COc1ccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1OC 19561162 AKKSVKPEMLVLRT-UHFFFAOYSA-N 370.453 1.946 0 40 FDAB CN(C)c1ncc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cn1 19585572 NTMVHZNSCCIZLF-WBVHZDCISA-N 361.396 1.930 0 40 FDAB Cc1c(CN2CCO[C@@H](C(=O)N3CCc4ccccc4C3)C2)cnn1C 19745616 HCJPLRDSYASXSV-LJQANCHMSA-N 354.454 1.514 0 40 FDAB O=C(c1ccc2nsnc2c1)N1CCO[C@H](C(=O)N2CCCCCC2)C1 19747396 PABRVFIWUFOWQX-INIZCTEOSA-N 374.466 1.935 0 40 FDAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2C1 13789881 HURJRUZMRSZIAK-MNOVXSKESA-N 357.501 1.878 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)NC5CCCCC5)C[C@@H]4C3)ncnc21 1888881819 WSMAUPHTLDGEST-KBPBESRZSA-N 369.473 1.774 0 40 FDAB Cc1nc(N2CCN(c3ncnc4[nH]ccc34)CC2)cc(-n2cccn2)n1 1889205690 HGBXELVZNKBCQE-UHFFFAOYSA-N 361.413 1.569 0 40 FDAB Cc1ncc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cn1 2037984688 KGIJZNPCLGJMSN-AEFFLSMTSA-N 366.421 1.679 0 40 FDAB Cc1cc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccccc4)C3)C2)n[nH]1 2056225842 CVCIBVIQAAUTPA-ICSRJNTNSA-N 370.453 1.394 0 40 FDAB COc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 5272953 DNVVLGXFGUVSFH-ZIAGYGMSSA-N 354.472 1.733 0 40 FDAB CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10968088 BWEQBJPWEDBJIG-UHFFFAOYSA-N 372.816 1.812 0 40 FDAB CC(C)N(C)CC(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1 2055731555 DGXQIVMXAQYDLE-XYJFISCASA-N 374.485 1.614 0 40 FDAB O=C(C1CCC1)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771548 HFVYEXLEBAEQSU-HNNXBMFYSA-N 358.364 1.679 0 40 FDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccc(C)c2)CC1 2055708254 YAMHFAPELDVMLP-UHFFFAOYSA-N 356.470 1.945 0 40 FDAB CCC1=NC(=O)[C@]2(CC[C@@H]3CN(S(=O)(=O)c4sccc4C)C[C@@H]32)N1 2055714779 RFTQXJQDYIWLSH-BFQNTYOBSA-N 367.496 1.764 0 40 FDAB COc1c(C)cnc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)c1C 2086861036 ADGXYZQUZTVCSM-INIZCTEOSA-N 365.499 1.483 0 40 FDAB O=C(Cc1ccccc1F)NCCn1nc([C@H]2CCNC2)c2nccnc21 19348205 FWGZRDHDPNNLIE-AWEZNQCLSA-N 368.416 1.401 0 40 FDAB COC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 40156050 HFOXCDMSSHPQQJ-KRWDZBQOSA-N 372.425 1.126 0 40 FDAB O=C(NCc1ccccc1Cn1cncn1)c1cc2c(cc1O)OCO2 40154013 PHWBLDBUEZDTOM-UHFFFAOYSA-N 352.350 1.691 0 40 FDAB CCNC(=O)NC(=O)CN1CCC(NC(=O)c2ccc(C)s2)CC1 51098901 RMBXRPUFTXJUQS-UHFFFAOYSA-N 352.460 1.096 0 40 FDAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 21900133 RBTNPVUATFZHAG-ZDUSSCGKSA-N 360.501 1.692 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC2CCCC2)cc1 814451 UTOZPOWOSVMCRS-HNNXBMFYSA-N 350.440 1.734 0 40 FDAB CC(=O)Nc1nc(COC(=O)c2ccccc2S(C)(=O)=O)cs1 24162878 YYIVPSNOKCKHEI-UHFFFAOYSA-N 354.409 1.862 0 40 FDAB COc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCO3)cc1 12541612 OTANSOPWXILOCG-UHFFFAOYSA-N 365.363 1.965 0 40 FDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 25321511 LMOSRSSLRZLEMB-SMDDNHRTSA-N 356.444 1.305 0 40 FDAB CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN2CCOCC2)C1=O 20686140 GOZQNVGYOAPGMC-MRXNPFEDSA-N 361.442 1.029 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)o1 58217375 ABAMIPOJISDQRR-IBGZPJMESA-N 373.384 1.853 0 40 FDAB COCCN1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 58344083 JUTSPSKWNJHQHI-AWEZNQCLSA-N 357.462 1.522 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2165131 IKBKDGPFPCGKQQ-UHFFFAOYSA-N 369.424 1.093 0 40 FDAB in-vitro O=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3Cc2ccoc2)[C@H]1O5 102904185 JZHGDRXAGAFPQB-RCOXNQKVSA-N 367.401 1.909 0 40 FDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1 36365873 LMXMOUHPKMHBKQ-CABZTGNLSA-N 359.835 1.153 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F 36569324 RLMXQPFRMFSLMF-PSLIRLAXSA-N 364.352 1.907 0 40 FDAB O=C(NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)Nc1cccnc1 107430701 JZBKNMGBIJIKJB-IZZQQSIFSA-N 357.410 1.784 0 40 FDAB biogenic,in-vitro Cc1noc(CS(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)n1 46128936 HFROAERBIKUAKV-UHFFFAOYSA-N 363.317 1.950 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1CCN(CC(F)F)CC1 60240840 LJJSWAZOHQPWMH-UHFFFAOYSA-N 372.416 1.087 0 40 FDAB Cc1c(C(=O)OC(C)C)sc(NC(=O)CCCC(=O)O)c1C(N)=O 2745726 GAMCKMXOUXCBDD-UHFFFAOYSA-N 356.400 1.914 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(C1)CN(C(=O)c1ccoc1)CCO2 306140000 UGNUDLLYRCHRQG-IBGZPJMESA-N 355.394 1.361 0 40 FDAB NC(=O)CCSC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1 9118783 JEPQICWOUHQSEB-VLGSPTGOSA-N 363.446 1.259 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13295150 VYTBZMUMLKHSFY-SECBINFHSA-N 374.401 1.891 0 40 FDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CC(=O)NC2CC2)CC1 96908309 VKFQHIAKEGBWCX-CYBMUJFWSA-N 364.877 1.563 0 40 FDAB CN(C)c1ccnc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 97000351 NMYWPXMZESMOJK-GOSISDBHSA-N 354.454 1.778 0 40 FDAB O=C1CN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c2ccccc2N1 14169398 CHOGBMOQIYKKFS-UHFFFAOYSA-N 352.329 1.465 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cn2)CC1 14810331 FOGCCUNRVMFQJP-UHFFFAOYSA-N 363.425 1.666 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306140831 VEVXHQJXAHTSBO-QWHCGFSZSA-N 357.483 1.926 0 40 FDAB COC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccccc1 67286659 DQKFCZMSSOHKHA-KRWDZBQOSA-N 358.442 1.105 0 40 FDAB CC1(C)C(=O)N=C(S)NN1[C@@H](CC(=O)O)C(=O)Nc1ccccc1F 9489179 ZCEZBZNDGMOOKT-JTQLQIEISA-N 368.390 1.019 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7044113 UCVGXGSXLPSQMT-WLRWDXFRSA-N 370.409 1.471 0 40 FDAB COC(=O)[C@](NC[C@@H]1CCCO1)(NC(=O)C1CCCCC1)C(F)(F)F 19856746 FOXPTPQAPFYJSG-WFASDCNBSA-N 366.380 1.883 0 40 FDAB C[C@H](C(=O)N[C@@H]1CCN2CCCC[C@H]12)S(=O)(=O)c1ccc(F)cc1 69415920 ZYMMAPDCLMIDNN-DAXOMENPSA-N 354.447 1.731 0 40 FDAB c1cnc(-c2nc(CNCc3ccc(-n4cncn4)nc3)cs2)nc1 69527863 MAPKOQIMBPMVOK-UHFFFAOYSA-N 350.411 1.866 0 40 FDAB CN1C(=O)c2ccc(C(=O)OCc3nnnn3-c3ccccc3)cc2C1=O 17726473 LHFXXUGMIRYOHC-UHFFFAOYSA-N 363.333 1.245 0 40 FDAB CCOC(=O)c1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1 72402580 CZNBRCWVVUFQCO-UHFFFAOYSA-N 364.408 1.950 0 40 FDAB C[C@H](C1CC1)N(C(=O)CN1CCC2(CC1)SCC(=O)N2C)C1CC1 95469400 MCZGNQCNXFFGLR-CYBMUJFWSA-N 351.516 1.773 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2C)c1 29155082 KRKOVPGYGHOAOR-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB Cc1cccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 95998942 RMUKBABYCZGWNI-INIZCTEOSA-N 352.456 1.262 0 40 FDAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCCO 408708065 GNYDKAIZWBNXEH-UHFFFAOYSA-N 369.421 1.362 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)O 548534200 KXYSREPCCRYYHN-GFCCVEGCSA-N 352.387 1.751 0 40 FDAB CCc1ccc([C@H]2CN(C(=O)NCc3nc4ncccn4n3)CCO2)cc1 556857424 QCOGIOOHPIXOEP-MRXNPFEDSA-N 366.425 1.970 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccccn2)C1 521396664 DJLWLRTWKXAMSR-FMKPAKJESA-N 351.472 1.396 0 40 FDAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217496787 DUINZXKAQATRPL-CYBMUJFWSA-N 356.444 1.910 0 40 FDAB CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C 32508622 WLDDFPBVPHHBPD-KBPBESRZSA-N 367.496 1.388 0 40 FDAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(F)ccc1-n1cnnn1 49550631 VKVGPGSHLAQMPC-NSHDSACASA-N 361.362 1.757 0 40 FDAB C[C@@H]1CN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC[S@](=O)C1 574282427 WEDDWDQOBOSWPH-BZQUYTCOSA-N 360.483 1.825 0 40 FDAB COCCn1nnnc1Cn1cc(NC(=O)Nc2cccc(OC)c2)cn1 41070452 WRODYQUIAATMRW-UHFFFAOYSA-N 372.389 1.217 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4cc(C)on4)CC3)nn2)n1 78330599 FRTIWMNQKWDKKK-UHFFFAOYSA-N 353.430 1.898 0 40 FDAB COc1ccc(OC)c(CCNC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)c1 573962414 FIHWDWJEOGVWAE-SWLSCSKDSA-N 350.415 1.999 0 40 FDAB COc1cc(N2CCC[C@@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)ncn1 96223132 SPETZSWJLFCJHH-KBXCAEBGSA-N 356.430 1.824 0 40 FDAB COCCN1C(=O)C[C@@H](c2cccnc2)C12CCN(C(=O)C1CC1)CC2 96199754 BYHSJYVYYSHVEH-KRWDZBQOSA-N 357.454 1.815 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247302561 FHFLRORLTXFZDC-CQSZACIVSA-N 361.423 1.478 0 40 FDAB Cn1cnc2c1[C@H](C(=O)NCc1cccs1)CN(c1ncc(F)cn1)C2 248077372 ZRAQKMGZPOIKTC-CYBMUJFWSA-N 372.429 1.831 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccncc3)CC2)cn1 257285257 PGHPYUVPYPODIW-UHFFFAOYSA-N 353.426 1.603 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 250940662 IVWKPVUYITVDQV-QCQGSNGOSA-N 350.440 1.518 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 253477274 DXLSUBJHLKVYPA-AWEZNQCLSA-N 353.440 1.644 0 40 FDAB Cc1ncccc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257281484 OPKABNIEHAITBU-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Nc1cccc([C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257336157 YNKVLLGHLJHXAD-MRXNPFEDSA-N 353.426 1.873 0 40 FDAB COc1ccccc1C(=O)N1CCO[C@H](c2ncc(CNC(C)=O)[nH]2)C1 257256518 KLUYRTKFTDAVRO-INIZCTEOSA-N 358.398 1.268 0 40 FDAB O=C(c1cnc2ccccc2c1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257337476 YSYHMQFUSRHOFF-OALUTQOASA-N 355.438 1.533 0 40 FDAB Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257338022 YVMNCNFRISBFGK-SFHVURJKSA-N 359.430 1.658 0 40 FDAB CN(C(=O)CCc1cccc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257279780 OIDVPCMFWVLDAP-ZHALLVOQSA-N 350.434 1.441 0 40 FDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257272239 NBPBWVWBIYGWEK-HNNXBMFYSA-N 364.475 1.817 0 40 FDAB NC(=O)c1cnn2c1C[C@@H](CNC(=O)[C@H]1CCCc3c(O)cccc31)CC2 277645388 XOXIIQNUEWFYBV-WFASDCNBSA-N 368.437 1.486 0 40 FDAB O=C(NCC1(C(=O)O)CC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 621571722 KPMKEFHGMSZODW-UHFFFAOYSA-N 366.364 1.798 0 40 FDAB O=C(CN1CC[C@H](c2cc(O)nc(O)n2)C1)N1CCC[C@H]2CCCC[C@H]21 639731695 OPQLMWNQSQEKDW-IJEWVQPXSA-N 360.458 1.858 0 40 FDAB C[C@@H](O)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1179937040 GIMYJTJRCKNADR-WBMJQRKESA-N 371.275 1.182 0 40 FDAB CC(C)(C)OC(=O)COc1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 597457008 KMWONLBWFNGLGR-HNNXBMFYSA-N 374.437 1.854 0 40 FDAB Cn1cnc([C@@H]2CNC[C@H]2C(=O)Nc2nnc(CC(F)(F)F)s2)c1 1614995962 RVJUHNUIDGVDTH-HTQZYQBOSA-N 360.365 1.318 0 40 FDAB COCC(=O)NCC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 575403736 NIZGWALHOPWHKT-HNNXBMFYSA-N 371.437 1.552 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404478 MVVACGPAWOGCHP-MRXNPFEDSA-N 370.434 1.930 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 585109060 RDQPEJNAWHYZDH-OKZBNKHCSA-N 372.469 1.285 0 40 FDAB CNC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 28047671 ZKDMTJQQBAPZCB-UHFFFAOYSA-N 362.407 1.296 0 40 FDAB CNC(=O)COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 55857513 NPNOKORAHKTURP-UHFFFAOYSA-N 366.373 1.848 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccco3)cc2)CCN1 84432178 BMQSFQBMFQQJPU-CVEARBPZSA-N 367.405 1.272 0 40 FDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NC[C@@H]1CCCO1)C2 85473801 NYFXRPNAVLVGBI-NEPJUHHUSA-N 351.472 1.558 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615160365 ZQHOLUXIFXVJEK-LJQANCHMSA-N 372.400 1.597 0 40 FDAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 5274313 LTYBIETUILFDPF-AWEZNQCLSA-N 366.421 1.682 0 40 FDAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]1N[C@H](C(=O)O)C(C)(C)S1 5540074 HQEJTFRMUYHJJT-OUCADQQQSA-N 366.439 1.242 0 40 FDAB CCCCn1nc(C(=O)Nc2nc(CC(=O)OCC)cs2)ccc1=O 11781570 UVVLFJNGVAPERJ-UHFFFAOYSA-N 364.427 1.858 0 40 FDAB O=C(Cc1c[nH]c(=O)[nH]c1=O)Nc1ncc(Cc2ccc(F)cc2)s1 19334847 FDOHSGLPEYZOBQ-UHFFFAOYSA-N 360.370 1.431 0 40 FDAB CCN(CC)S(=O)(=O)N(C)Cc1nc(NC)cc([C@@H]2CCCNC2)n1 19709998 JMTDAWLGCIZQHI-CYBMUJFWSA-N 370.523 1.004 0 40 FDAB C[C@]1(NC(=O)CC2CCN(Cc3ccccn3)CC2)CCS(=O)(=O)C1 19748226 HVVOFUFJCSPZNQ-SFHVURJKSA-N 365.499 1.377 0 40 FDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 7425590 MOOUJXQCMHZXBP-UHFFFAOYSA-N 367.453 1.902 0 40 FDAB O=C1CCCN1c1cc(CNS(=O)(=O)CCC(F)(F)F)ccn1 575609678 ZRZYOFAEOJSOJW-UHFFFAOYSA-N 351.350 1.580 0 40 FDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(C(=O)NCc2ccccc2)CC1 11469254 VFGILWDPVOXTAO-CQSZACIVSA-N 372.469 1.392 0 40 FDAB COc1ncccc1C(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888856738 JFKSHWQVFPDSLV-GASCZTMLSA-N 365.437 1.966 0 40 FDAB O=C(NC1CCOCC1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888870072 IQLSHZBBOVHMJJ-FZKQIMNGSA-N 364.421 1.985 0 40 FDAB COc1nn(C)cc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888890300 QOMUWOSBCMGWIM-UHFFFAOYSA-N 370.413 1.403 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cscn5)C[C@H]4C3)nn12 1888904143 AQQDPCKDRRPHAG-VXGBXAGGSA-N 369.454 1.352 0 40 FDAB O=C([C@H]1CCCN(Cc2nnc(C(F)(F)F)o2)C1)N1CCSCC1 1889104386 JZPUIOXUHYYNMI-JTQLQIEISA-N 364.393 1.876 0 40 FDAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COC[C@@H]1CCCO1 24835917 CLELAKNAMXXCFE-CABCVRRESA-N 361.442 1.302 0 40 FDAB Cc1cncc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037984606 GWUOQPWPOCYORH-QGPMSJSTSA-N 370.384 1.047 0 40 FDAB Cn1c(=O)c2nc(SCc3ccccc3Cl)n(C)c2n(C)c1=O 4571061 ZAUNKUSMLDCFQI-UHFFFAOYSA-N 350.831 1.916 0 40 FDAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)NCc2ccco2)n1 5254644 JIYZSLVZVVJVTL-UHFFFAOYSA-N 355.398 1.572 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)c2cc(C)cs2)C[C@@H]2CCCO[C@@H]21 2055771699 RLJIVYCYJIIIMN-ZENOOKHLSA-N 352.456 1.439 0 40 FDAB O=C(Cc1noc2ccccc12)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 2055713580 JWUFPRPITXTEIW-XJKSGUPXSA-N 368.393 1.206 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)cc1 27197050 YUTMPQZIYGQWRK-MRXNPFEDSA-N 350.440 1.628 0 40 FDAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1cc(=O)[nH]c(=O)[nH]1 206894213 KRSAEXSTYVNJAM-UHFFFAOYSA-N 353.363 1.692 0 40 FDAB O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 575616233 IDHJALGPKWTGLH-CQSZACIVSA-N 370.434 1.817 0 40 FDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc(Br)o1 585149998 VMNXOHVPZBKWBY-UHFFFAOYSA-N 352.188 1.906 0 40 FDAB CN(C)C/C=C/C(=O)Nc1cc2c(=O)nc[nH]c2cc1O[C@H]1CCOC1 219131240 GSUSIQVMAQBROU-PCAWENJQSA-N 358.398 1.147 0 40 FDAB in-vitro C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccnc(N3CCCC3)c1)CS2 40050182 OIJIDDPBCJPEQE-KDOFPFPSSA-N 360.483 1.752 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20052059 QJKHQGWBQCVPJU-VXGBXAGGSA-N 366.414 1.538 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)o1 40116528 MIOACQPPCVOTAT-HNNXBMFYSA-N 367.383 1.090 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1ccccc1 20131216 XODKGSZHZMVQQJ-KRWDZBQOSA-N 359.426 1.532 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncccn2)C1 32417434 DCWIFCFTWUJXDX-HNNXBMFYSA-N 354.410 1.781 0 40 FDAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC1CCCC1 21249644 FZUXFUGDGPYROI-NSHDSACASA-N 354.428 1.662 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)s1 102222755 ZYJSBKDHIBVFJT-SYWGBEHUSA-N 373.430 1.898 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102595225 MCVDLYLOUTUZKZ-KBPBESRZSA-N 358.394 1.895 0 40 FDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 1361324 DDZXFEOJLDSXGV-UHFFFAOYSA-N 372.443 1.555 0 40 FDAB COCCNC(=O)CSc1nnc(-c2ccccc2)n1CCOC 3567167 YOPAJWUEDYYPKM-UHFFFAOYSA-N 350.444 1.446 0 40 FDAB C[C@@]1(NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 24447965 PGVSIEJMSCVVFX-SWLSCSKDSA-N 373.862 1.133 0 40 FDAB COc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC(C)C)c2=O)c1 6679298 BQYLEKZWWDOTMN-UHFFFAOYSA-N 373.434 1.747 0 40 FDAB Cc1ccc(Cn2[nH]cc/c2=N\C(=O)CN2C(=O)COc3ccccc32)o1 105907197 URJMCJKQLKVVCX-HEHNFIMWSA-N 366.377 1.619 0 40 FDAB Cc1ccccc1CN(C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 7680799 GURJQYULGJCUPO-UHFFFAOYSA-N 372.469 1.959 0 40 FDAB CC(=O)Nc1nc(COC(=O)Cn2cnc3sccc3c2=O)cs1 25069704 UEBRXSJDZVMSOQ-UHFFFAOYSA-N 364.408 1.616 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1 34859892 INBZGITWJSYRLQ-UHFFFAOYSA-N 371.890 1.269 0 40 FDAB CCOC(=O)c1ccc(NCCCN2C(=O)NC3(CCCC3)C2=O)nc1 25492637 AQEJUNLSNBATCJ-UHFFFAOYSA-N 360.414 1.925 0 40 FDAB O=C(CN1CCC(NC(=O)c2ccc[n+]([O-])c2)CC1)Nc1ccccc1 12614846 SYCKEYPWINYHGO-UHFFFAOYSA-N 354.410 1.153 0 40 FDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2[nH]nnc2c1 12602425 AQJQYSKTLAMNHY-SFHVURJKSA-N 369.400 1.900 0 40 FDAB CN(C)C(=O)COc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1 109070908 UMIBCVVXCGBIKK-KRWDZBQOSA-N 369.469 1.702 0 40 FDAB Cc1ccc(F)cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782238 XAMJDHKRZIGWHJ-GFCCVEGCSA-N 367.402 1.238 0 40 FDAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc2[nH]nnc2c1 58213279 BNVMBGOWVNGRBJ-GOSISDBHSA-N 369.400 1.900 0 40 FDAB CNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3375036 DJBMLFSSEFEXJE-UHFFFAOYSA-N 360.819 1.027 0 40 FDAB Cc1c(NC(=O)c2nc3nccc(C)n3n2)c(=O)n(-c2ccccc2)n1C 3382585 BIKOMUASXSDWOF-UHFFFAOYSA-N 363.381 1.483 0 40 FDAB COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)CN2CCOCC2)c1 25233060 QTZHNTONJKXWAH-YJBOKZPZSA-N 350.459 1.534 0 40 FDAB CCOC(=O)c1c(C)oc2ncn([C@@H](C(N)=O)c3ccc(F)cc3)c(=O)c12 58416527 SWFXYDVAOXNBAQ-CQSZACIVSA-N 373.340 1.688 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 25207566 XPXFTVXDBHQPER-UHFFFAOYSA-N 362.455 1.042 0 40 FDAB Cn1c(COC(=O)CCCc2c[nH]c3ccccc23)cc(=O)n(C)c1=O 11148471 AGZMPFQKYGRREF-UHFFFAOYSA-N 355.394 1.631 0 40 FDAB CCN1C[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 46321767 YCKNSQWCZIBHKM-ZDUSSCGKSA-N 356.426 1.362 0 40 FDAB COCCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10334932 XZIHSIZVRJNWLC-UHFFFAOYSA-N 362.879 1.957 0 40 FDAB COc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2N)cc1 3405957 ABSNSWCTGOBMER-UHFFFAOYSA-N 361.349 1.438 0 40 FDAB CC(C)N1CC[C@@]2(Cc3nc(=O)c(C(=O)NC4CCCCC4)cn3C2)C1 306123427 AMWIEDGMIDKHKY-HXUWFJFHSA-N 358.486 1.962 0 40 FDAB C[C@@]1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 12947310 DLDLNKPDMLMUDJ-QGZVFWFLSA-N 362.407 1.839 0 40 FDAB COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1OC 3881895 FVDHBXQOSUJIFW-FVQSIRDASA-N 359.378 1.113 0 40 FDAB Cc1nc2c3ccccc3nc(SCc3cc(=O)n(C)c(=O)n3C)n2n1 13231146 AMPLCUGXHFYIEJ-UHFFFAOYSA-N 368.422 1.276 0 40 FDAB O=C(c1ccccn1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897551 NCEXLWPNWBHAJB-SJORKVTESA-N 355.369 1.473 0 40 FDAB biogenic,in-vitro C[C@@H](O)CNC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 13733761 XDGCYZJMSVQENA-SECBINFHSA-N 371.224 1.674 0 40 FDAB CN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)N(C)C1=S 4457229 OVZUVUVHMRFBLH-SXGWCWSVSA-N 368.462 1.950 0 40 FDAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(=O)[nH]n1 14119252 XLICXKJRVUBKNK-UHFFFAOYSA-N 352.188 1.813 0 40 FDAB Cc1ccc(-n2nnn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)c(C)c1 14163682 NFLCFGVMUFEUOF-CYBMUJFWSA-N 367.500 1.492 0 40 FDAB CC(C)OCCCNC(=O)CCC(=O)NCc1ccc2c(c1)OCO2 4575342 ZKBXLWINPLZJBW-UHFFFAOYSA-N 350.415 1.743 0 40 FDAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(N2CCOCC2)cc1 4503640 NNAQBWFZLHGSPS-LBPRGKRZSA-N 371.397 1.079 0 40 FDAB Cn1c(CNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 96224011 RMSHWTROXQPCEQ-UHFFFAOYSA-N 351.345 1.618 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O 6645559 XYQCSTPSQQNGIA-HWPZZCPQSA-N 374.393 1.979 0 40 FDAB biogenic Cc1ccc2nc(CSc3nnnn3-c3ccc(O)cc3)cc(=O)n2c1 7036038 SBEDPSQOJGNXRV-UHFFFAOYSA-N 366.406 1.977 0 40 FDAB O=C(c1cc[nH]c1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 68425184 AYAIYTPUSCCTJQ-AWEZNQCLSA-N 351.403 1.737 0 40 FDAB CCCN1CC2=C(C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)NC(=O)N2 7778835 IWIJUUIBQBIMPW-OAHLLOKOSA-N 361.398 1.573 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)C[C@H]1C=CS(=O)(=O)C1 16446881 FLFFXCHGAPTJRI-QWHCGFSZSA-N 367.423 1.822 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 18149073 BEVRHVZLMYUEFX-STQMWFEESA-N 355.394 1.455 0 40 FDAB Cc1ccc2c(COC(=O)CC[C@H]3NC(=O)NC3=O)cc(=O)oc2c1C 19001604 HUZUODJLPBTAHR-CYBMUJFWSA-N 358.350 1.441 0 40 FDAB Cc1ccc(CC(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)cn1 95998235 NFTJYKNCQFXTLB-GOSISDBHSA-N 358.486 1.476 0 40 FDAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2ccccc2)N2NC=NC2=N1 409376944 CNKMRZQHXSLZGS-HNNXBMFYSA-N 363.377 1.880 0 40 FDAB COCCCNC(=O)[C@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 2122119 AKPMDBPBGZKKJH-PIGZYNQJSA-N 366.439 1.426 0 40 FDAB biogenic CN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccsc1)n1cccc1 524734577 RZIPCTNGMFCDON-CQSZACIVSA-N 355.485 1.537 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C)cc2)s1 223515474 HWSFJOFXWBYLDE-UHFFFAOYSA-N 356.429 1.162 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 222440697 WYOAYKCLBQDJSK-ZSYWTGECSA-N 354.450 1.896 0 40 FDAB COc1cc(=O)n(CC(=O)N2CCOCC2)nc1-c1ccc(Cl)cc1 96100855 RWGAKECBLOLMEB-UHFFFAOYSA-N 363.801 1.431 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106128 JSXKCWXGSFXFBP-MRXNPFEDSA-N 356.426 1.905 0 40 FDAB Cc1noc(C)c1CN1CCC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 96215103 ZICFLZADYROQDI-YJBOKZPZSA-N 351.447 1.520 0 40 FDAB COCCC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244306 BYFMWTKTFFGLNF-LJQANCHMSA-N 354.410 1.575 0 40 FDAB CN1CC[C@@]2(CCN(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)C2)C1 579305300 FMECEBCPRFRKLQ-GOSISDBHSA-N 358.421 1.848 0 40 FDAB CS(=O)(=O)N1Cc2ccccc2C2(CCN(C(=O)c3c[nH]cn3)CC2)C1 96242382 GRLBBWGRTJVIET-UHFFFAOYSA-N 374.466 1.359 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)c(C)o1 96249829 CFNNGJVBZPEPTF-UKRRQHHQSA-N 356.444 1.019 0 40 FDAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)o1 248035467 MRTUZZZMFGNNNK-OAHLLOKOSA-N 358.442 1.733 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCO[C@@H](c3nccc(C)n3)C2)c1C 257279387 OGIGXJPXNVDKHU-CYBMUJFWSA-N 351.432 1.072 0 40 FDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4nc(C)cc(O)n4)C3)cn2c1 257253624 JZPSVZSVIWDGSM-AWEZNQCLSA-N 353.382 1.660 0 40 FDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccnc1 257275965 NRTMSQYMWFMGSO-SFHVURJKSA-N 352.438 1.197 0 40 FDAB CN(C(=O)CN1CCCC1)[C@H]1CCCN(C(=O)c2cnc3[nH]cnc3c2)C1 1775986822 GXMCDCHJBFLMAL-HNNXBMFYSA-N 370.457 1.117 0 40 FDAB CC(C)c1nc(CN2C[C@@H](NC(=O)C3CC3)[C@H](c3ccnn3C)C2)no1 1615550993 WDAFRYRXIAKARY-ZIAGYGMSSA-N 358.446 1.421 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)c1 1142058099 KPDFRUMNEFOVKG-CYBMUJFWSA-N 360.414 1.393 0 40 FDAB Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1nc(-c2ccccn2)n[nH]1 657483993 APAZYYRFVZFYOU-XJKSGUPXSA-N 353.430 1.858 0 40 FDAB Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1ccc2c(c1)CCO2 390826376 JJZZGBUHSVZQHJ-UHFFFAOYSA-N 371.422 1.291 0 40 FDAB O=C(Cn1nnc2ccccc21)NCc1ccnc(N2CCCC2=O)c1 575618517 IQFCPHGUWPQSNE-UHFFFAOYSA-N 350.382 1.270 0 40 FDAB Cc1cccc(OC[C@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)c1 585276564 MTFCCLLHGJNQAW-IBGZPJMESA-N 358.442 1.573 0 40 FDAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1ccn(C)n1 585096872 DVDZQVZNKXJJJP-LBPRGKRZSA-N 353.386 1.203 0 40 FDAB CN(CC1(O)CCN(c2ccc(F)cc2)CC1)[C@]1(C)CCS(=O)(=O)C1 585285413 YILQTHPCLSXYHI-QGZVFWFLSA-N 370.490 1.666 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)N(Cc2ncn(-c3ccccc3)n2)C1 685940529 NLCVRLFAQNRRIB-UKRRQHHQSA-N 357.414 1.021 0 40 FDAB CC(C)c1noc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 172598892 QMFLKRAPKHJDOI-UHFFFAOYSA-N 373.461 1.142 0 40 FDAB Cn1cc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cn1 55992983 NAWRKUJTZDTCJR-UHFFFAOYSA-N 372.244 1.736 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 12157962 KNQLYMROKIMWIG-KRWDZBQOSA-N 357.410 1.921 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1OC 16681801 LNVLYGYKLLWQGE-UHFFFAOYSA-N 362.451 1.966 0 40 FDAB COc1cc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c(OC)cc1Cl 17084683 SKPLPIVKVGRIRD-GFCCVEGCSA-N 354.790 1.321 0 40 FDAB Cc1ccn2cc(C(=O)NCCS(=O)(=O)N3CCCCC3)nc2c1 19238194 BMWTYPVLOCSRQX-UHFFFAOYSA-N 350.444 1.188 0 40 FDAB CCNCc1ccn(Cc2cn(Cc3cn4cc(Cl)ccc4n3)nn2)n1 656451314 QAWNJRWJOAXENG-UHFFFAOYSA-N 370.848 1.982 0 40 FDAB O=C(CSc1ncccn1)N1CCN(c2cc3c(nn2)CCC3)CC1 575609415 XPULWWDKRBBMCW-UHFFFAOYSA-N 356.455 1.196 0 40 FDAB NC(=O)[C@H]1CN(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1 1848353639 YEVFEMXHVJUBMW-GOSISDBHSA-N 355.413 1.567 0 40 FDAB COC1(CC(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)CCC1 1565547738 WUDRYQZAOALNTJ-FOIQADDNSA-N 373.453 1.384 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)C[C@H]2O1 1565545138 AJGJIDFMDDHGQG-VBNZEHGJSA-N 370.384 1.874 0 40 FDAB COCCO[C@@H]1CCN(C(=O)Cc2nc(C)no2)[C@H]1Cc1ccccc1 1565556297 BNZXXRSUQARREQ-DLBZAZTESA-N 359.426 1.796 0 40 FDAB CCOCC(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21 8946403 KOPISSGRGLUGGA-UHFFFAOYSA-N 364.475 1.301 0 40 FDAB Cc1nc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)cs1 2055745557 JRANBLGRLMPDJT-NSHDSACASA-N 360.439 1.867 0 40 FDAB Cc1ccccc1OCC(=O)N1CCC[C@@](C(=O)N(C)C)(n2cccn2)C1 2055771751 UMRXKUDRXLIEPX-HXUWFJFHSA-N 370.453 1.676 0 40 FDAB Cc1nc(N2CCO[C@H](C(=O)N3CCSCC3)C2)c2ccncc2n1 2086854866 ZYMWUOKZCRUPML-HNNXBMFYSA-N 359.455 1.114 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38728979 SRTMXFLSZCZLMV-IRXDYDNUSA-N 358.438 1.804 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cn1 575610795 AVLWHKSNUXDREP-KRWDZBQOSA-N 365.455 1.013 0 40 FDAB COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 5999132 KMYQEVOSRSCASE-RTBURBONSA-N 364.394 1.505 0 40 FDAB endogenous,in-man C[C@@H]1CCc2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2C1 10408873 ASUHUNZBSUNIAM-SECBINFHSA-N 358.427 1.350 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCOCC1 40089363 VSZHSITXSJUXIO-UHFFFAOYSA-N 371.437 1.169 0 40 FDAB COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)NC(C)(C)C 101965827 KEJGHKYAQHLGIP-UHFFFAOYSA-N 363.439 1.954 0 40 FDAB NC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 32843643 CLEWVBBBBPOGPU-INIZCTEOSA-N 362.389 1.476 0 40 FDAB COC(=O)C1CCN([C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 21817171 PAUOQMLMQNQOSZ-KRWDZBQOSA-N 374.437 1.250 0 40 FDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCOc1ccccc1F 102959741 IEOISGFWJNEPCS-OKILXGFUSA-N 362.401 1.886 0 40 FDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 627078 HCPYJOSAKZGIPL-LLVKDONJSA-N 371.187 1.964 0 40 FDAB Cc1nc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N(C)C)c2)cs1 78554023 UTRAMZIYSTXBQF-UHFFFAOYSA-N 374.509 1.817 0 40 FDAB COc1ccc(NC(=O)Cn2ccc3c(cnc4ccnn43)c2=O)cn1 79482769 UVMOTJKIHKCZDS-UHFFFAOYSA-N 350.338 1.087 0 40 FDAB Cc1cc(O[C@H](C)C(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2129401 LEVXTFYBTAZILY-LLVKDONJSA-N 359.378 1.948 0 40 FDAB biogenic CCC[C@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 3831298 IPVQLZZIHOAWMC-ZVDSWSACSA-N 368.474 1.941 0 40 FDAB C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](CO)C(=O)O)C1=O 6856103 RSGQXMJBEMTGSU-KAQJVSAMSA-N 365.432 1.898 0 40 FDAB O=C(CO)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 89548232 KPEBMQZXKBQPAW-CHWSQXEVSA-N 356.344 1.472 0 40 FDAB CNc1snc(C)c1C(=O)OCC(=O)NC(=O)NCc1cccs1 8328830 QLXDKSXXEHGPST-UHFFFAOYSA-N 368.440 1.738 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1F 57486144 HEAKLUAAFZXECK-UHFFFAOYSA-N 364.354 1.618 0 40 FDAB CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@@H]([C@@H]5C[C@H]42)[C@H]13 101194526 QSDMAJZSSDNJPO-FALOATQWSA-N 352.434 1.659 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cn2cncn2)cc1 12795080 NCCRMIAHGOIHDO-MRXNPFEDSA-N 350.378 1.896 0 40 FDAB O=C(NCCC1=CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 25970208 HEGPBXVDPPPUHT-UHFFFAOYSA-N 355.446 1.742 0 40 FDAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21 58184793 RKSAACQWHMFBME-OFQRWUPVSA-N 372.469 1.835 0 40 FDAB Cc1nc(N2CCN(CCO)CC2)c2cnn(-c3cccc(Cl)c3)c2n1 58162242 IPMLUFHMYVDGBB-UHFFFAOYSA-N 372.860 1.892 0 40 FDAB Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)sc2ncn(C)c(=O)c12 58114178 NKYDPNYJYFKQBX-UHFFFAOYSA-N 362.455 1.244 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 58198493 APFJTSXKUMLBBG-QGZVFWFLSA-N 358.419 1.751 0 40 FDAB CCN1C[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1=O 58294222 KEKGWRIAEUANJV-CQSZACIVSA-N 363.845 1.493 0 40 FDAB COc1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1O 3343523 FLKWDCVETSXZLS-UHFFFAOYSA-N 350.371 1.716 0 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CCNC(=O)NC1CCC(OC(=O)C2CCN(C(=O)C3CC3)CC2)CC1 66536850 XNCFRPMQQUWTPK-UHFFFAOYSA-N 365.474 1.809 0 40 FDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1c1nccs1 67199659 BMODUEWTOYIBDD-JKSUJKDBSA-N 372.494 1.928 0 40 FDAB C[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)c2ccccc2C1=O 7007141 OCZZKGRLSFDTJN-LLVKDONJSA-N 362.349 1.286 0 40 FDAB Cc1cc(=O)c(C(=O)NCC(=O)NC(C)C)nn1-c1ccccc1Cl 7116312 YNPBPYIXDVEOGU-UHFFFAOYSA-N 362.817 1.449 0 40 FDAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 19820902 UGFBROGLNGBWAB-JKSUJKDBSA-N 357.497 1.284 0 40 FDAB CC(=O)N1CCN(C(=O)COC(=O)c2csc3c2CC[C@H](C)C3)CC1 7779992 UFYCIWOGJYAKEY-LBPRGKRZSA-N 364.467 1.720 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 7805378 CBOLWOJBGQVZNS-UHFFFAOYSA-N 355.394 1.845 0 40 FDAB O=C(CN1CSCC1=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8345552 HUDPSWRSOPTWFD-UHFFFAOYSA-N 374.447 1.776 0 40 FDAB O=c1[nH]c(N[C@@H](CCn2cncn2)c2ccccc2)nc2c1CCNC2 82098237 AGRAZCCAZAOCMD-HNNXBMFYSA-N 351.414 1.251 0 40 FDAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)C1CC(F)(F)C1 306123710 AULDBYOTJSLGBS-HNNXBMFYSA-N 368.428 1.970 0 40 FDAB COc1ccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1OC 72406341 LXZXFSKMDCHYPX-LBPRGKRZSA-N 355.354 1.349 0 40 FDAB O=C(NC1CC1)c1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2 84544133 RZPACSBMYCRGEL-VIFPVBQESA-N 368.480 1.502 0 40 FDAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C[C@@H](C)O1 72335492 MIBKVPKXJROZAF-OKILXGFUSA-N 355.442 1.749 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395584 KXTPAGKVYQEVAN-RWMBFGLXSA-N 373.379 1.983 0 40 FDAB CCc1ccc(N2C(=O)CN([C@@H](C)CC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773653 UIHCRFRSJVGAJH-RRQGHBQHSA-N 350.484 1.862 0 40 FDAB COc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 33435690 BFBZGGLBFGCQSL-CABCVRRESA-N 353.422 1.915 0 40 FDAB Cc1noc(CNC(=O)C2CCN(C(=O)COc3ccccc3C)CC2)n1 70655626 NLNQIIYFYIRPLK-UHFFFAOYSA-N 372.425 1.620 0 40 FDAB C[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326664 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NC(=O)CN1C[C@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988519 QASWQEDWQQRUGV-MFKMUULPSA-N 365.359 1.644 0 40 FDAB O=C(NC[C@@H]1COCCN1C(=O)C[C@@H]1CCOC1)C1CC2(CCC2)C1 1775992973 WBLOJSWRDIQUHJ-GOEBONIOSA-N 350.459 1.337 0 40 FDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@@H](CO)C1 585283395 OAMRUHSJEPDYAG-NRSPTQNISA-N 360.498 1.848 0 40 FDAB COC1CCN(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)CC1 585091905 CWQCFUCWRKFLIJ-INIZCTEOSA-N 358.435 1.555 0 40 FDAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc3nnc(O)n3c1)CC2 670416510 UODUSFDLYGGHPR-ZDUSSCGKSA-N 354.366 1.869 0 40 FDAB COc1cc(Cl)c(F)c(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 685942866 XILFJJXUJBBWSC-QWHCGFSZSA-N 355.753 1.787 0 40 FDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NC(C)C)[C@H]4CO[C@@H]3O4)c2cc1OC 952844812 KWFPGSCUECIEOS-HSFUPAIVSA-N 363.414 1.077 0 40 FDAB biogenic,in-vitro CC(C)CNC(=O)c1cccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1 90005430 PCDGIXLUITWQED-UHFFFAOYSA-N 372.469 1.589 0 40 FDAB O=C(c1ccc(O)nc1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615130724 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356.806 1.899 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1c(=O)n(C)c2ccccc21 58342152 VCZSEDQZUIWMEL-UHFFFAOYSA-N 355.394 1.544 0 40 FDAB COCCCNC(=O)c1nc(CC(=O)Nc2ccc3cc[nH]c3c2)no1 36352721 MLOFVUNXGVUKTK-UHFFFAOYSA-N 357.370 1.498 0 40 FDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc3nccnc3c1)CC(=O)N2 36365325 DLNOKGMBURECSL-LBPRGKRZSA-N 373.376 1.681 0 40 FDAB COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103125830 PKYZLGKPEGEMAS-IYBDPMFKSA-N 371.389 1.858 0 40 FDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 46071176 JCNWXPXLPXPOMT-UHFFFAOYSA-N 366.370 1.595 0 40 FDAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4CCCO4)c(=O)c23)C1 11990308 VOHRCAOMJGAFJR-VXGBXAGGSA-N 361.467 1.878 0 40 FDAB COc1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)cc(OC)c1OC 9134338 YBEZSZVSTNZABT-CQSZACIVSA-N 374.393 1.501 0 40 FDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 5292403 GTGHQYIDPGTEFM-UHFFFAOYSA-N 373.409 1.344 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 25581633 VWDHNWWZNHKYSU-HNNXBMFYSA-N 365.455 1.788 0 40 FDAB O=C(CN(Cc1ccc(F)cc1)C1CC1)N1CCN(c2ncccn2)CC1 7789570 GDGALUOIYXSWOZ-UHFFFAOYSA-N 369.444 1.929 0 40 FDAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N([C@H](C)C(=O)NC2CC2)C1=O 8130810 ZQWGKCRQYBNSHV-NSPYISDASA-N 357.410 1.446 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 8230121 SKQYPTYOFAVOFY-UHFFFAOYSA-N 362.389 1.927 0 40 FDAB CC(C)C[C@@H](C(=O)O[C@@H](C)C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 8283583 HFWGPZZTDFEZSH-LRDDRELGSA-N 372.421 1.908 0 40 FDAB Cn1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cn1 8353012 AIPNKHPFXGMNFE-UHFFFAOYSA-N 362.333 1.513 0 40 FDAB CCCCNC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 8329215 ICVRZGBXOMKDTI-PKNBQFBNSA-N 368.455 1.345 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@@H](OC)c1ccccc1 69570963 ODZCQFAFSHHMNY-LBPRGKRZSA-N 369.420 1.727 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)N1CCCC1 69922421 QABVWAJPZVALRL-NSHDSACASA-N 350.396 1.082 0 40 FDAB O=C(Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3)NCc1ccccc1 8738549 FOVOEKCVZMTJNB-UHFFFAOYSA-N 369.446 1.947 0 40 FDAB CCN(CCO)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 97177624 GUHHLPVDOKORNU-UHFFFAOYSA-N 360.863 1.579 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cn3cccnc3n2)C1 547683972 ABXONHWRNHEMHF-QGZVFWFLSA-N 356.455 1.732 0 40 FDAB Cc1ccc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)o1 306133463 MMEJZPKHCBUAMJ-CQSZACIVSA-N 354.472 1.651 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 408875674 GXJGCLYYDZOYIV-SWLSCSKDSA-N 356.444 1.145 0 40 FDAB Cc1noc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](O)C2)c[nH]1 521396895 SKLUVPJTHRQRNS-NSHDSACASA-N 368.415 1.017 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 72241382 WPHZBSIESYSJEF-IMJJTQAJSA-N 352.818 1.534 0 40 FDAB O=S(=O)(NCc1noc(-c2ccccc2)n1)c1cnn2c1OCCC2 568964901 QHMVQEGZVFOWTG-UHFFFAOYSA-N 361.383 1.194 0 40 FDAB CCN1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 41689840 DMIGJWAXIOYLTP-DIGXMAGLSA-N 366.546 1.987 0 40 FDAB O=C(NCCCn1ccnc1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100368 ATJYYAQWKUDIFO-UHFFFAOYSA-N 365.319 1.698 0 40 FDAB CO[C@@H](C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1 329962138 RZNHDDDRGHHFPN-MRXNPFEDSA-N 373.519 1.065 0 40 FDAB Cc1nc(CN2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)cs1 96224189 UAYOHGMWAJCYFX-QGZVFWFLSA-N 350.488 1.354 0 40 FDAB COC(=O)CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 95479868 RQJLEWHOKLTCMJ-UHFFFAOYSA-N 357.410 1.492 0 40 FDAB Cc1cncc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1 96084641 MHALTAYOAQICDC-UHFFFAOYSA-N 353.426 1.755 0 40 FDAB CC[C@H](C)N1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 95000177 BMWLHSIIVHSMJV-TUKIKUTGSA-N 356.875 1.953 0 40 FDAB CCn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1 249687129 HEWOWOKXSSJXCD-KZNAEPCWSA-N 355.442 1.175 0 40 FDAB CCn1cc(-c2nccnc2C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257279473 OGVGLALMHYJKHN-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)C1CC1)C2 604381853 RNYSTKASHYZHSB-QGZVFWFLSA-N 370.453 1.226 0 40 FDAB biogenic,in-vitro Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc32)[C@H]1O 257207205 BGUGFASTFQTPQT-SZVBFZGTSA-N 353.426 1.812 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cscn2)C1 257232525 GLFUZSSAKRBJJN-JTQLQIEISA-N 354.457 1.365 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2CC(=O)N(C)C)n1 257301094 RWZBTVXNGTUIQN-CQSZACIVSA-N 355.446 1.852 0 40 FDAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)C(C)C)C2 257249887 JKDITYAQYZOPRN-SFHLNBCPSA-N 371.481 1.969 0 40 FDAB COCC(=O)N1CCC(Cc2nccnc2-c2cncc(C(=O)O)c2)CC1 257302693 SDXKWTDSXQELLB-UHFFFAOYSA-N 370.409 1.664 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H]1CCCO1 260741147 GYNGMUKHHHCQEI-CVEARBPZSA-N 370.471 1.535 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccco2)C1 260511719 RTHNLJAOHVLMNP-ZDUSSCGKSA-N 360.501 1.691 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccn1C 657079107 ZJLGDVDIHGZQLY-XJKSGUPXSA-N 352.460 1.688 0 40 FDAB CN1C(=O)CC[C@H](CNc2cc(NC3CC3)ncn2)[C@H]1c1cnn(C)c1 1775959404 TYAXZTHBGBUONO-XIKOKIGWSA-N 355.446 1.806 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N2CCCC2=O)c1 575608508 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FDAB O=C(Cc1cccnc1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585973 JWCJGRLRPUGSPW-ILZDJORESA-N 356.397 1.909 0 40 FDAB CCOC(=O)CCNC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040245 SHKYCZVRZXKWQP-LBPRGKRZSA-N 367.833 1.945 0 40 FDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)n2nc(C)cc2n1 1888856607 IOGYUTCKSLAJKD-CQSZACIVSA-N 361.471 1.127 0 40 FDAB Cc1nc(C)c(C)c(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 1888866651 YAFVGQVVFQKVKP-UHFFFAOYSA-N 352.446 1.783 0 40 FDAB O=C(Cc1cccnc1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888866913 YCNHBDMYMFKJHH-UHFFFAOYSA-N 357.389 1.485 0 40 FDAB Cc1cc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n2nccc2n1 1888888484 ZHPJTBCBNJMDQB-HZPDHXFCSA-N 361.405 1.659 0 40 FDAB c1cc(N2CCOCC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 1889110030 KPBLKCFNZPYFHN-UHFFFAOYSA-N 373.486 1.369 0 40 FDAB Cc1ccccc1[C@H](OC[C@@H](O)CN1CCNC(=O)C1)c1ccccc1 23389899 XAIYUULBXAOGRV-GHTZIAJQSA-N 354.450 1.894 0 40 FDAB O=C(N1CCC[C@@]2(COCCN(c3nncs3)C2)C1)C1(F)CCC1 1614927583 WRUKAANKOSVZGF-OAHLLOKOSA-N 354.451 1.876 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@H]21 1614939127 RXOYFWFAFCGUMR-RBZSOFKBSA-N 359.426 1.045 0 40 FDAB CN1C(=O)c2cccnc2C12CCN(C(=O)Cn1cc(Cl)cn1)CC2 1565552903 CHZDQRDGMIDREL-UHFFFAOYSA-N 359.817 1.535 0 40 FDAB CC[C@H](Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(=O)OC 4959701 AWMVJYJDSYXVKR-QMMMGPOBSA-N 352.372 1.241 0 40 FDAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)cn2)cc1 13807048 GKEGPTVRVQBKID-UHFFFAOYSA-N 362.389 1.956 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CC(Nc2cccnn2)C1 585148776 GDGGGOFFGRKMLR-UHFFFAOYSA-N 369.244 1.724 0 40 FDAB C[C@@H](Sc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)O 4139114 PRYNOWHLDDIFDH-SECBINFHSA-N 372.406 1.259 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 40009916 AOKYIVGIKDSHMO-IRXDYDNUSA-N 373.497 1.958 0 40 FDAB COc1ncccc1CNC(=O)NCc1ccc(Cn2cncn2)cc1 40068898 VYEDTTKVXVVKHV-UHFFFAOYSA-N 352.398 1.729 0 40 FDAB C[C@]1(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CCS(=O)(=O)C1 40024721 XFXFLKYSQARCLR-SFHVURJKSA-N 359.451 1.668 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CCS(=O)(=O)NCCCNC(=O)NCCc1c[nH]c2ccc(F)cc12 78766304 BWRLNUOKWMSFCC-UHFFFAOYSA-N 370.450 1.478 0 40 FDAB O=C(Cc1n[nH]c(=O)[nH]1)N1CCc2[nH]nc(-c3ccccc3Cl)c2C1 23340318 GDXFYRCUNQQUNB-UHFFFAOYSA-N 358.789 1.269 0 40 FDAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23437157 WRLVKMVAXVXGNM-UHFFFAOYSA-N 371.418 1.666 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(OC)c2)c1=O 4999870 HWFZZYMMQYLUKF-UHFFFAOYSA-N 353.378 1.830 0 40 FDAB O=C(NCCN1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 7435815 FLZYQJRVKHACCH-UHFFFAOYSA-N 371.528 1.361 0 40 FDAB CC(C)(C)OC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 7560814 ZSJSCSNYWDYFKT-SFHVURJKSA-N 362.382 1.610 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 24987977 VBNMTRMASKJYQA-QGZVFWFLSA-N 362.393 1.906 0 40 FDAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475935 QYOSLAIYIDMLQT-UHFFFAOYSA-N 358.460 1.538 0 40 FDAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)NCc1ccco1 54444639 RPAZSJVGDUHIIT-UHFFFAOYSA-N 353.426 1.361 0 40 FDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 55992851 RSUXJCSWEPGGMA-QPUJVOFHSA-N 373.240 1.980 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN(C)C)C2)cc1 22258773 NMEJMWKKHPGANT-HNNXBMFYSA-N 353.488 1.074 0 40 FDAB CN(CCCNC(=O)Nc1ccn(Cc2ccccc2)n1)S(C)(=O)=O 58114378 MLTKTNOBYVGUJW-UHFFFAOYSA-N 365.459 1.334 0 40 FDAB CCC(CC)NC(=O)[C@@H]1CN(CC(=O)NC(=O)NC)c2ccccc2O1 58201097 DJQIGISXIUMTPH-HNNXBMFYSA-N 362.430 1.014 0 40 FDAB CCC[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)N1CCc2sccc2C1 95396355 OHQULPQGLDQFFN-OCCSQVGLSA-N 361.471 1.770 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2cc(C)cc(C)c2)C1 55602400 IIUPDAXZJLOABO-INIZCTEOSA-N 368.499 1.860 0 40 FDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NC(C)C 11904680 JODVJQRWKYNYDA-UHFFFAOYSA-N 360.457 1.057 0 40 FDAB CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1cc(C)on1 37198731 AJLDYWVWXYBVNG-OAHLLOKOSA-N 350.806 1.994 0 40 FDAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C)c1 12985405 MUCKYJIUOACDOJ-UHFFFAOYSA-N 351.414 1.991 0 40 FDAB Cn1/c(=N\C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)sc2ccccc21 13152645 JBKZDICKNKVGEX-JOHDTDPOSA-N 355.419 1.618 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 4105485 HBYFLUJEVATBGV-UHFFFAOYSA-N 364.427 1.005 0 40 FDAB Cn1ncc2c(NCCO)nc(N3CCN(c4ccccc4)CC3)nc21 4272770 PJXWUCLNOYINPF-UHFFFAOYSA-N 353.430 1.094 0 40 FDAB COc1cccc(-c2nc(CC(=O)N[C@@H]3C=CS(=O)(=O)C3)cs2)c1 13727343 AUYIGWQSBDSPMK-GFCCVEGCSA-N 364.448 1.788 0 40 FDAB CCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C 5148228 VCTWBPDPZBIJTL-UHFFFAOYSA-N 370.388 1.300 0 40 FDAB COC(=O)c1cc(CNC(=O)[C@@H](CC(C)C)NC(N)=O)ccc1OC 14093657 OGROJZDDVARGCI-CYBMUJFWSA-N 351.403 1.181 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(Cc3ccsc3)CC1)CS2 65504829 KZJBZEFPDYUMND-PBHICJAKSA-N 365.524 1.846 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 5506203 SHTVJSFBKBSXOG-KRWDZBQOSA-N 372.385 1.169 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCc2ccccc2OC)c(=O)[nH]c1=O 14655122 HVJRGKCIFKDVSH-UHFFFAOYSA-N 374.441 1.523 0 40 FDAB CCOc1cc(CNCCn2ccnc2)ccc1O[C@@H](C)C(=O)N(C)C 25359787 SAOHJNMADRLTRL-HNNXBMFYSA-N 360.458 1.927 0 40 FDAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C(=O)O)[C@H](C)O 5938753 RISNLVKOUKCFNI-MJVIPROJSA-N 350.415 1.053 0 40 FDAB C[C@@H](Nc1ccn(CC(N)=O)n1)C(=O)Nc1cccc(Br)c1 97162137 KIPABYSOSRSSDJ-SECBINFHSA-N 366.219 1.570 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3nccs3)cc2)C1=O 15843031 NSGJHKYKHQFZOE-SECBINFHSA-N 351.409 1.708 0 40 FDAB O=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7942666 ZBQGXWXDVGAHFZ-LBPRGKRZSA-N 370.434 1.553 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(C)c1 84101460 FEVMYTNLCCHNNG-NVXWUHKLSA-N 361.419 1.718 0 40 FDAB CN1CCN(C(=O)c2cc(NC(=O)Cc3ccc(F)cc3)ccn2)CC1 95987331 ZNWVCSUBLMZJIU-UHFFFAOYSA-N 356.401 1.790 0 40 FDAB CCCC(=O)N[C@@H]1CCCN(C(=O)CCOc2ccccc2C(N)=O)C1 75105098 JDRBCMJQLYMBGQ-CQSZACIVSA-N 361.442 1.462 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 527496826 GVQKYVHWQIQAOR-UHFFFAOYSA-N 373.390 1.994 0 40 FDAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NC(c2nccn2C)c2nccn2C)C1 527613950 KXSHCVPWPDSTDU-YPMHNXCESA-N 353.430 1.448 0 40 FDAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 37613825 JADAURZBQGCQFB-ONPHEMOESA-N 352.394 1.770 0 40 FDAB CC[C@H](CO)NS(=O)(=O)c1ccc(I)cc1 35610129 SIQSTHKFMOJJJH-SECBINFHSA-N 355.197 1.340 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326772 MPBMHSOXNHFYMH-RBZFPXEDSA-N 372.469 1.854 0 40 FDAB CCOc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(CC)CC2 71980248 JPQPPPAXQWYVQC-HNNXBMFYSA-N 362.426 1.823 0 40 FDAB O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1COCCN1CC(F)F 188384079 MOFKXZMXCGKXFU-CYBMUJFWSA-N 356.369 1.430 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1nnn(-c2ccccc2)n1 75163364 SPHNMLKKWVJTBZ-UHFFFAOYSA-N 350.382 1.751 0 40 FDAB Cc1nc(C)n(C2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)C2)n1 328797928 WFRXCFBKIKRNHL-INIZCTEOSA-N 353.426 1.327 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)COc3ccccc3F)C2)n1 225400030 YWTHZANYRCRQHV-CYBMUJFWSA-N 360.389 1.740 0 40 FDAB COc1cc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc(OC)c1 224219279 VVYZCLNGOAIZPZ-UHFFFAOYSA-N 373.413 1.652 0 40 FDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3Cc2cccnc2)no1 96249394 PITJUEUJSVIBOT-ZWKOTPCHSA-N 356.426 1.884 0 40 FDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2nnc3ccccn23)n[nH]1 95475847 ILKDTFNNHPVEOL-UHFFFAOYSA-N 364.413 1.442 0 40 FDAB O=C(c1cccnc1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223260 OIFHABODHYNMKE-YJBOKZPZSA-N 357.389 1.887 0 40 FDAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC4CCOCC4)cn23)C1 96156306 WKEWHPQPFFEMFL-OAHLLOKOSA-N 371.441 1.222 0 40 FDAB CN1Cc2ccccc2CC2(CCN(S(=O)(=O)N(C)C)CC2)C1=O 96063615 GTMZYYDBJZQGTM-UHFFFAOYSA-N 351.472 1.090 0 40 FDAB CN1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3ccccc3)CC[C@@H]12 96145293 JYDXGTRGVQHTQQ-WIYYLYMNSA-N 371.481 1.472 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)Nc1nc([C@H]2CCCO2)n[nH]1 95475869 HQWYHPPENQABFR-CYBMUJFWSA-N 354.370 1.395 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cccn2C)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96215011 JJJFXTWDWXBCQN-QXAKKESOSA-N 354.454 1.782 0 40 FDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3c(C)noc3C)CC2)O1 96080135 UHKPAZASQXHDRQ-OAHLLOKOSA-N 359.430 1.124 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257207273 BHAYIHRYVWONJG-GFCCVEGCSA-N 357.414 1.115 0 40 FDAB C[C@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3ccc(F)cc3)c2)CCO1 257341517 ZKRLXLDZGSUCAV-LJQANCHMSA-N 357.385 1.528 0 40 FDAB CN1CCc2c(CNC(=O)C3CCCCC3)c3c(c(O)c2C1=O)OCO3 604404442 NMHRIJXGHJQWBE-UHFFFAOYSA-N 360.410 1.946 0 40 FDAB biogenic CCS(=O)(=O)N1CCN(C(=O)c2ccc3cc(OC)ccc3c2)CC1 1119975809 NDETUVXZWDQWAR-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](C(=O)O)C2CC2)CC1 635014995 BAKJJDQDUGDBSW-CABCVRRESA-N 351.834 1.347 0 40 FDAB CN1CCN([C@H](CNC(=O)c2ccc(C(=O)O)nc2)c2cccs2)CC1 640089517 SXZYDLJXLDWLDV-OAHLLOKOSA-N 374.466 1.560 0 40 FDAB O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644069270 OAGLYDZCXSSKMB-ZACQAIPSSA-N 352.862 1.961 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCCOc2ccccc2C(F)(F)F)CCO1 666527147 QBBQBWZYPVOEGB-LBPRGKRZSA-N 362.304 1.579 0 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CN1CCN(C(=O)Cc2ccc(F)cc2)C[C@H](Cc2ccccn2)C1=O 19695564 CXIUJNUATQVHND-INIZCTEOSA-N 355.413 1.923 0 40 FDAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)c1cccc(Cl)c1)C2 19713015 PQMCXYHJXHBSOG-CZUORRHYSA-N 371.890 1.171 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3ccc4c(c3)ncn4C3CC3)CC2)C1=O 19714282 MDTIFRQXSKBPMY-UHFFFAOYSA-N 367.409 1.528 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)c1 19752327 HSUSQIURTCBHLV-MRXNPFEDSA-N 369.469 1.681 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 647928636 QNEKHKKCMPIJJK-MRXNPFEDSA-N 355.412 1.266 0 40 FDAB O=C(c1cn[nH]c1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888843538 PEACLJCIYJXNKA-PHIMTYICSA-N 352.320 1.427 0 40 FDAB Cc1cnc(N(C)[C@H]2CCCN(Cc3nnc([C@@H]4CCOC4)o3)C2)nc1 1888866789 QSKSBHDRELXKLN-CABCVRRESA-N 358.446 1.773 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(c4nc5ccc(F)cc5o4)C[C@@H]3C2)cc1=O 1888888181 NPYUWLXWKYICGZ-QWRGUYRKSA-N 371.372 1.339 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)nn12 1888910722 YKYRQJUTWDBXBX-HOTGVXAUSA-N 362.437 1.895 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1F 245131285 VNEUSAHKSZIJNM-UHFFFAOYSA-N 352.391 1.499 0 40 FDAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)Nc1ccc2c(c1)OCO2 12180699 FZHMPYBUWDWEFL-UHFFFAOYSA-N 374.307 1.991 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 2055830279 KKZFMSXVPNXJCO-SFHVURJKSA-N 353.382 1.800 0 40 FDAB Cc1nc2ncnn2c(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)c1C 2086865451 XIDFULXSQLPWNY-ZIAGYGMSSA-N 353.405 1.848 0 40 FDAB O=C(/C=C/c1cccs1)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225630338 VEVTWHBSDLQBKY-AATRIKPKSA-N 357.439 1.559 0 40 FDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)c1cccc(F)c1 19293601 VNGXONGQHVWXKV-ZDUSSCGKSA-N 354.389 1.472 0 40 FDAB Cn1ccnc1[C@@](O)(CC(=O)Nc1nnc(C2CC2)s1)C(F)(F)F 40049298 WIWPKSBSGJUTNB-LBPRGKRZSA-N 361.349 1.928 0 40 FDAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)o1 30207761 GRQXJGRJQXFYHJ-VOTSOKGWSA-N 353.444 1.086 0 40 FDAB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c(C(=O)O)c1OC 32123854 KAJCQPVQGSBSRM-UHFFFAOYSA-N 360.410 1.627 0 40 FDAB biogenic CC(C)[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 32768673 VOJRFVPMQOTHLL-CZUORRHYSA-N 353.440 1.706 0 40 FDAB O=C(Nc1ncc2c(n1)CCC1(C2)OCCO1)[C@@H]1COc2ccccc2O1 32925865 XTCADPZJTWGFFZ-INIZCTEOSA-N 369.377 1.487 0 40 FDAB NC(=O)CCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2)n1 22057208 QCNIPAUNMAVAKA-UHFFFAOYSA-N 364.409 1.244 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)c1C 22790071 DXAHBWLVLTVLSQ-AWEZNQCLSA-N 374.485 1.302 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1Oc1ccccc1 12323342 QQICGOJJMWQSNY-UHFFFAOYSA-N 373.390 1.965 0 40 FDAB N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 4530746 BOSPELTZTUYCQA-XSEPRYCASA-N 357.406 1.731 0 40 FDAB COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4885409 GPQUNEGWTVMHMT-XMDUPGNXSA-N 354.362 1.661 0 40 FDAB O=C(N[C@H]1CCCc2ccccc21)C1=CN2CCS(=O)(=O)N=C2C=C1 7038005 GSOXHEYCUDZFCE-INIZCTEOSA-N 357.435 1.678 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 7605827 VFDOWKWUYWGWRB-UHFFFAOYSA-N 362.382 1.629 0 40 FDAB C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCS(=O)(=O)C1 24448208 XGIMVNZTOYOCSO-BDJLRTHQSA-N 370.858 1.386 0 40 FDAB COc1ncccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1snnc1C 100172259 OXVQNCGVTVCRAB-VXGBXAGGSA-N 360.439 1.905 0 40 FDAB COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCOCC1 25183783 CXHGGPXSERPHTO-UHFFFAOYSA-N 363.399 1.663 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc(F)c1 101128035 OKOBURQTIGWXHJ-OAFZBRQQSA-N 366.385 1.992 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 35301116 QNLWEEMDEMNTPR-OAHLLOKOSA-N 353.488 1.154 0 40 FDAB Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 44376815 YEKHYRCVXVRHOH-MRXNPFEDSA-N 365.499 1.315 0 40 FDAB CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108794823 JDWCVAZULBIDNA-GOSISDBHSA-N 359.470 1.329 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)CSc2nc3ncccn3n2)cc1 10074242 YINRHAVRUOLSFC-UHFFFAOYSA-N 356.411 1.557 0 40 FDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 58159682 ANHXGFVIDHCMCM-WMZOPIPTSA-N 360.454 1.989 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)CCn2cnc3ccccc32)CC1 10237795 QZJCGYSPPMLIHO-UHFFFAOYSA-N 351.428 1.251 0 40 FDAB Cc1cc2nc(COC(=O)CNC(=O)c3ccccc3F)cc(=O)n2o1 21538516 CNRKGKNBVHJIJT-UHFFFAOYSA-N 359.313 1.208 0 40 FDAB CN(Cc1nnc2ccccn12)C(=O)CCN1C(=O)COc2ccccc21 58343230 RUJREGZOOBCEGK-UHFFFAOYSA-N 365.393 1.503 0 40 FDAB O=C(CSc1nnc2ccccn12)N[C@H](Cc1ccccc1)C(=O)O 3330930 FUHZLXODBHCOAP-CYBMUJFWSA-N 356.407 1.634 0 40 FDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(C)CC1)cn2CC(=O)O 36357344 WOLWVJSTEXLZDJ-KRWDZBQOSA-N 361.398 1.108 0 40 FDAB COc1cc(OC)cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 11202397 HKJJDYADFDAEKT-UHFFFAOYSA-N 356.425 1.343 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)ccc1OC 13076361 JZNKYFAHHWQGTG-UHFFFAOYSA-N 351.380 1.881 0 40 FDAB CCNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 6083229 CNYCOQRYBKQSAD-UHFFFAOYSA-N 353.400 1.991 0 40 FDAB CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 4392125 BLYWWGMNCXSPPB-OWNNVSBGSA-N 353.440 1.753 0 40 FDAB CN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4484961 XVIAZTMMSZCPFE-SNVBAGLBSA-N 373.887 1.954 0 40 FDAB COc1cc2c(cc1OC)-c1cc(NCCCN(C)C)nc(=O)n1CC2 6624058 IHECTMISDMDJRT-UHFFFAOYSA-N 358.442 1.847 0 40 FDAB biogenic CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408703959 XBZAINKEYZGOQZ-UHFFFAOYSA-N 360.863 1.889 0 40 FDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 6787103 FVFSELMWUFQKBR-QGZVFWFLSA-N 367.449 1.919 0 40 FDAB Cc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2-c2ccccc2)cc1 71801219 PCKHDMIXPUDYSE-RUZDIDTESA-N 355.423 1.858 0 40 FDAB COC(=O)c1ccc(OCC(=O)NC(=O)NC2CCCC2)c(OC)c1 7033202 ZSWDAGZTYSWGFA-UHFFFAOYSA-N 350.371 1.629 0 40 FDAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(CC)s2)C1=O 7346636 CAALRKKRBWBEBR-UHFFFAOYSA-N 353.448 1.930 0 40 FDAB O=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1ccc(=O)[nH]c1 9446282 MZRCFBLFFODDFF-UHFFFAOYSA-N 354.347 1.790 0 40 FDAB COCCn1c(=S)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 16975391 QJYKODIAYAYSDI-OAHLLOKOSA-N 372.450 1.974 0 40 FDAB biogenic CC(=O)[C@H](C)Sc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 71811563 KUUNOBSECYCVLF-LBPRGKRZSA-N 358.427 1.530 0 40 FDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 9512698 FGAMGXJZUMHJCX-NSHDSACASA-N 363.399 1.312 0 40 FDAB CCCCn1c(N)c(N(C)CC(=O)NCC2CCCCC2)c(=O)[nH]c1=O 8744664 CBTDTGJSORPNCU-UHFFFAOYSA-N 365.478 1.052 0 40 FDAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCCC[C@@H]12 8744329 CIGFYRKJIWKRFM-DNVCBOLYSA-N 355.463 1.994 0 40 FDAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccncc1 8744312 SLSMJFKINUMFHQ-UHFFFAOYSA-N 353.382 1.256 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(C)C)c1 22229577 MGVOVQZHTIKNGZ-OAHLLOKOSA-N 354.472 1.929 0 40 FDAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)N2CCCC2=O)c1Cl 21866200 FLXRSHSEBXQTRP-UHFFFAOYSA-N 366.588 1.930 0 40 FDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 408605149 MSZHGHUWHFXLPD-AWEZNQCLSA-N 374.462 1.947 0 40 FDAB COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1 408550897 GDIHKGAHKRIEGE-UHFFFAOYSA-N 373.340 1.306 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1 20729237 USMRWQXJIFLTNA-ZDUSSCGKSA-N 357.370 1.757 0 40 FDAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCOCC2)C[C@H]1C(C)C 30881033 TZCMTSVDHAAQIS-BZSNNMDCSA-N 366.502 1.853 0 40 FDAB biogenic,in-vitro C[C@H](C(=O)N1CCNC1=O)n1nnc(-c2ccc(Br)cc2)n1 31731762 ZNWZCJQFGVPRKF-MRVPVSSYSA-N 365.191 1.215 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 409407863 ALRCODZKAFDQRW-MRXNPFEDSA-N 367.515 1.622 0 40 FDAB O=C1CCCN1c1ccc(NC(=S)NCCCN2CCOCC2)cc1 38283263 ZBOBZLZXGZEJNA-UHFFFAOYSA-N 362.499 1.822 0 40 FDAB CCCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)OC)CC3=O)cc2)CC1 72228531 AWPCVZAKHLEJNZ-HNNXBMFYSA-N 373.453 1.661 0 40 FDAB NC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 32819626 FZLPLMDTQJZTTN-GOSISDBHSA-N 352.438 1.859 0 40 FDAB Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)CCCc2ccccc2)C1 72354526 YWGQZVULCZOHOV-NRFANRHFSA-N 370.497 1.720 0 40 FDAB Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 31107430 ZCLAOBGBEAKOSQ-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB CS(=O)(=O)N1CCN(c2c(Cl)ccc3sc(NN)nc23)CC1 72230187 JAACWOYEYJVATG-UHFFFAOYSA-N 361.880 1.317 0 40 FDAB CC(C)n1nnc(-c2ccc(O)c(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)c2)n1 71284129 BGGPIQKQMDVPMW-QWHCGFSZSA-N 359.386 1.922 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(C)CC3)cc(C)c21 71195942 QCNDBJQJZAYXFB-UHFFFAOYSA-N 365.499 1.575 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)C2CCCC2)C[C@@H](Cc2ccccn2)C1 72353562 CHJSRJJGDOHLAH-OAHLLOKOSA-N 365.499 1.534 0 40 FDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cnc(O)c(Cl)c2)C1 225808931 MIVKIHCTPJJTSJ-SNVBAGLBSA-N 350.762 1.533 0 40 FDAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 223319867 NPXOGMXQTPWTEC-WMLDXEAASA-N 367.515 1.945 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c(C)c1 222660100 QPMNSEVGNRCTGL-UHFFFAOYSA-N 357.410 1.827 0 40 FDAB O=C(NCCc1ccc(F)cc1)c1coc(NC(=O)c2cnccn2)n1 75157988 XCDIKTQEJMMIKY-UHFFFAOYSA-N 355.329 1.829 0 40 FDAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)NCc2cccs2)cc1 75155578 UZDMDXLFIVIWSZ-GOSISDBHSA-N 362.451 1.483 0 40 FDAB COC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 41058366 ZRBOIQVYVWCTCG-LLVKDONJSA-N 374.846 1.030 0 40 FDAB Cn1c(=O)c2c(nc3n(-c4cccnc4)c(-c4ccccc4)cn23)n(C)c1=O 44973317 RYMDQOAYAHAMGW-UHFFFAOYSA-N 372.388 1.738 0 40 FDAB COc1cncc(O[C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1 225500196 GUSUAGFOWSFXKD-ZDUSSCGKSA-N 371.393 1.940 0 40 FDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(F)cc1F 224156615 CQABTLBUWTTYDM-UHFFFAOYSA-N 354.382 1.834 0 40 FDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96225528 PKUCUMVSTXNJOB-OAHLLOKOSA-N 371.484 1.524 0 40 FDAB Cc1occc1C(=O)N1CCC2(CCOC[C@H]2NS(C)(=O)=O)CC1 96219769 HSEUMYARJMVZNN-CQSZACIVSA-N 356.444 1.149 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3C)nc(O)c2C1 247960532 VIPNPUPGAQMCFP-GHJWDPDVSA-N 358.442 1.796 0 40 FDAB Cc1ccc2c(c1)CC[C@H](c1nc(CCn3cc(C(N)=O)cn3)no1)O2 585084339 NDERQSMTYDUQPL-OAHLLOKOSA-N 353.382 1.982 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)C3CCOCC3)ccnc12 257287853 PRTBHJIILDQCIN-OAHLLOKOSA-N 371.441 1.569 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCOC[C@H]2CCc2cnccn2)n1 257335372 YJWRTXSESOOEGX-OAHLLOKOSA-N 359.430 1.776 0 40 FDAB CC(C)c1ncc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cn1 257281348 OOUBSJRDCGFZIJ-GOSISDBHSA-N 356.430 1.151 0 40 FDAB O=C(c1csc2c1CCCC2)N1CC[C@](O)(CN2CCOCC2)C1 257259152 KXCIAUXMJARUTR-SFHVURJKSA-N 350.484 1.536 0 40 FDAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC(C)(C)C)n1 604382571 SEYFMKQSKLEHEZ-QBPKDAKJSA-N 351.491 1.202 0 40 FDAB biogenic,in-vitro CNC(=O)[C@H]1CN(C)CCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257236707 HDIFKTTUJYQECY-MRXNPFEDSA-N 357.410 1.507 0 40 FDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976735 DWACJAIGISVTQH-AWEZNQCLSA-N 358.419 1.714 0 40 FDAB CC(=O)NC[C@@H]1CCCCN1Cc1nnc2n(C)c(=O)c3sccc3n12 626157350 OAYBPBINOKGNOV-LBPRGKRZSA-N 374.470 1.133 0 40 FDAB O=C(NCCc1csc(-n2cccn2)n1)c1cnn(-c2ccccc2)n1 90703329 LIWBOGYLGCHNBG-UHFFFAOYSA-N 365.422 1.882 0 40 FDAB Cc1ccc(CS(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1F 647928421 LLJYALMZZYPDRQ-HNNXBMFYSA-N 352.387 1.644 0 40 FDAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575425991 KDKLNUWESCSIQQ-CHWSQXEVSA-N 361.485 1.672 0 40 FDAB COc1ccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1F 578619328 KMYDMBRGPNWYGH-LBPRGKRZSA-N 361.391 1.240 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@H]1CCOC1 585096255 CXVBKGXAYNCSHZ-OLZOCXBDSA-N 358.398 1.346 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn21 585112736 UREQVVYMIGMWSE-CQSZACIVSA-N 370.425 1.658 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCn3cc(C(=O)N(C)C)nc3[C@@H]2C)cc1 585096383 LBICSZAJVBOBJK-ZDUSSCGKSA-N 362.455 1.659 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@@H]12 585109544 WLYICAAJGZUYAD-NUJGCVRESA-N 371.462 1.618 0 40 FDAB CSCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@H]1C 585097984 QCNAQJIGZTZPDU-CYBMUJFWSA-N 373.482 1.403 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(OC)cc(OC)c1)C2 585103399 OWAVEUUELRLRFI-HNNXBMFYSA-N 369.483 1.729 0 40 FDAB COCCN1C[C@H](COC)C2(CCN(Cc3cc(C)nn3C)CC2)C1 585104330 ZCRKDRVMZKVPAV-QGZVFWFLSA-N 350.507 1.535 0 40 FDAB Cn1nc(C2CCN(CC(=O)NC3CC3)CC2)n(-c2ccccc2)c1=O 75165420 PDIOXDJBPOFPOQ-UHFFFAOYSA-N 355.442 1.029 0 40 FDAB COC(=O)N1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 97493357 OUTXGMYQZIVUKB-LBPRGKRZSA-N 355.385 1.868 0 40 FDAB CCN1C(=O)[C@H]2CN(C(=O)c3cc(C)oc3C)CCN2C12CCOCC2 1772595176 AABGCTXKHHGBLY-MRXNPFEDSA-N 361.442 1.392 0 40 FDAB CN1[C@@H](C(=O)NC2CCCCC2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129759 IGLLARRBVRXQEN-JKSUJKDBSA-N 369.462 1.854 0 40 FDAB Cc1ccc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1 13675100 PLNDQGRPURYOMW-UHFFFAOYSA-N 353.488 1.363 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(OC)c1 16400911 XSSFCYRHNMGEJR-SFHVURJKSA-N 373.365 1.703 0 40 FDAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16576537 RXUFPCHRGFXKTL-ZDUSSCGKSA-N 350.440 1.611 0 40 FDAB Cc1ccc(F)cc1NC(=O)CN1CCN(CC(=O)NC(C)C)CC1 19214613 DTWZTDFRZDSBGS-UHFFFAOYSA-N 350.438 1.215 0 40 FDAB CO[C@@H](C(=O)N1[C@H]2CC[C@@H]1Cc1c(nc(C)[nH]c1=O)C2)c1ccccc1 19286291 AGDHTKBTRWCSSS-RVKKMQEKSA-N 353.422 1.924 0 40 FDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529546 DKSOAYFCYKQHCY-SFDCBXKLSA-N 350.802 1.537 0 40 FDAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)Cn1nc(C(F)(F)F)nc1N 19712508 PUCYEXZAGNMUOV-WDEREUQCSA-N 360.384 1.354 0 40 FDAB Cc1cc(OC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc(=O)o1 206973576 MQPSHJUULOPJRS-UHFFFAOYSA-N 370.405 1.748 0 40 FDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc2nnnn2c1 535722237 NPSLYMJMIFKNNV-LLVKDONJSA-N 360.780 1.926 0 40 FDAB O=C1CCCN1c1cncc(CNS(=O)(=O)CCC(F)(F)F)c1 585150311 NAASGTOPFKQUHY-UHFFFAOYSA-N 351.350 1.580 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c2ccncc2n1 1888890924 CTPAILFLJKBWQI-CALCHBBNSA-N 373.416 1.955 0 40 FDAB CCN=c1nc(N2CCN(Cc3cn4ccccc4n3)CC2)cc(C)[nH]1 1889148962 FGNKBVVWKYCMMV-UHFFFAOYSA-N 351.458 1.609 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC(Oc2ccncc2)CC1 252483853 FKCKSLCCAGWODW-INIZCTEOSA-N 351.472 1.709 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)CCC1 1614946770 CUHZKZFMXJZUGA-CQSZACIVSA-N 374.503 1.035 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@]12CCN(Cc1cccnc1)C2=O 1614933681 QAZZVHGXQRHKSH-IWQSFCKSSA-N 355.438 1.171 0 40 FDAB O=C(C(=O)N1CCCC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007654 VFZOYDCHSGODSA-UHFFFAOYSA-N 369.421 1.305 0 40 FDAB CCOCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746359 TWBFJIHAUPXNTN-UHFFFAOYSA-N 352.460 1.231 0 40 FDAB Cc1cccc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)n1 2055729759 HNMLOCLNRUASCL-LBPRGKRZSA-N 350.444 1.074 0 40 FDAB COc1cccc(S(=O)(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)c1 2055732303 AKSGFDWWCLTEFF-GFCCVEGCSA-N 365.455 1.581 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772427 HSSZAHHEQLRQFX-LJQANCHMSA-N 356.426 1.691 0 40 FDAB O=C(c1cnn[nH]1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775971351 NBENTVSTMYSFKN-UHFFFAOYSA-N 353.361 1.363 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NCC1CCN(Cc2ccco2)CC1 23127493 JEBWOVHJSOIRIU-UHFFFAOYSA-N 369.465 1.967 0 40 FDAB Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O 38486395 HDESYZHTQAEDLX-UHFFFAOYSA-N 369.421 1.947 0 40 FDAB Cc1cc2c(cc1NC(=O)NC1CCOCC1)N(C)S(=O)(=O)N2C 575611902 IAJHWVOFLUAAHB-UHFFFAOYSA-N 354.432 1.426 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccc(F)cc1 9420914 YBEFXORBMSDLBR-UHFFFAOYSA-N 370.388 1.626 0 40 FDAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2cnccn2)CC1 40153401 GVMRPQKJXOOOFV-UHFFFAOYSA-N 354.414 1.003 0 40 FDAB O=C(CS(=O)(=O)Cc1cccc(F)c1)NCCOc1ccccc1 40106097 VUNHFJCBBKNBRW-UHFFFAOYSA-N 351.399 1.936 0 40 FDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)c(C)c1 40160745 BDZNLGUTZWIISJ-UHFFFAOYSA-N 353.488 1.054 0 40 FDAB Cc1cnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)s1 40286061 ZMFGXKQMTVFZSS-KRWDZBQOSA-N 356.407 1.999 0 40 FDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1C 102398024 YYYUBVWMTJOBPV-ZIAGYGMSSA-N 360.410 1.543 0 40 FDAB Cc1ccc(-c2noc(CN3CCN(CC(=O)NC4CC4)CC3)n2)cc1 22787348 JGYVEXLRGBIISZ-UHFFFAOYSA-N 355.442 1.441 0 40 FDAB COc1c(C[C@H]2CC(CN3CCOCC3)=NO2)cc2c(c1OC)OCO2 12418035 UCLZOGAFLILEAB-AWEZNQCLSA-N 364.398 1.452 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)c(C)c1 802482 NWVDMLHZHPMNCS-UHFFFAOYSA-N 361.467 1.944 0 40 FDAB NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl 79104103 UHATXNCALDZUKA-OLZOCXBDSA-N 350.806 1.714 0 40 FDAB CCOc1ccc(N2C(=O)C[C@H](NCCCN3CCOCC3)C2=O)cc1 2459169 DGWGXDOEIXFXGU-KRWDZBQOSA-N 361.442 1.029 0 40 FDAB Cc1cc(C)cc(OC[C@H](O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 42757564 UFFZJFIXNZTUDP-CQSZACIVSA-N 367.405 1.552 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3C[C@@H](O)[C@H](CO)O3)c2n1 4803637 PVDRONULGPDJKM-FRRDWIJNSA-N 373.438 1.342 0 40 FDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc21 4905653 HNWKKLZMDDJTJB-UHFFFAOYSA-N 357.435 1.859 0 40 FDAB COC(=O)c1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Cl 6420212 LMLRQACNDHSOBW-UHFFFAOYSA-N 353.787 1.941 0 40 FDAB Cc1noc([C@@H]2CCCN(C(=O)NCCn3c(=O)oc4ccccc43)C2)n1 106564489 HNZASGLTBSSXEK-CYBMUJFWSA-N 371.397 1.875 0 40 FDAB COc1cc(CNC(=O)CSc2nccn2C)cc(OC)c1OC 8068254 BLGKBVOOLXREPQ-UHFFFAOYSA-N 351.428 1.854 0 40 FDAB c1ccc(-n2ncc3c(N4CCN(c5ncccn5)CC4)ncnc32)cc1 1512348 FHBFTCCGRMWNAN-UHFFFAOYSA-N 358.409 1.932 0 40 FDAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 35292565 PKPCMZGWINLNAW-XJKSGUPXSA-N 359.426 1.305 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 9156877 OMLQUKPPHQSULG-LBPRGKRZSA-N 373.457 1.275 0 40 FDAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCNC1=O 9613851 ISDFAVDAKZSZJY-UHFFFAOYSA-N 354.391 1.677 0 40 FDAB Cc1ccc(F)cc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 10031664 FDGNPBSTPKFPDO-UHFFFAOYSA-N 366.370 1.577 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2nccs2)CC1 10270622 SJPMHHYTMSFFHR-UHFFFAOYSA-N 369.450 1.592 0 40 FDAB CCCOc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl 27822891 XIMNECCKJOXDPP-UHFFFAOYSA-N 362.879 1.739 0 40 FDAB CC(=O)Nc1nc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)cs1 106143887 SFAMSXKELPGQCT-UHFFFAOYSA-N 362.503 1.770 0 40 FDAB CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11244730 AIDFJEWMOFQXLZ-GFCCVEGCSA-N 357.403 1.747 0 40 FDAB CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566116 KIRXENPAIIHIRP-UHFFFAOYSA-N 354.472 1.945 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(COc2cccc(Cl)c2)n1 28575311 CMWGVIQVHZPZJL-LBPRGKRZSA-N 369.830 1.490 0 40 FDAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCCC1 22252866 NCWKGEPTICVFBE-UHFFFAOYSA-N 356.444 1.726 0 40 FDAB CCCCn1c(C(=O)Nc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796856 DGLHVGQHKPDWBU-UHFFFAOYSA-N 355.398 1.486 0 40 FDAB O=C(Cn1cc(NC(=O)Nc2ccc(F)cc2Cl)cn1)NCCO 72309802 JLGXMEBNRQEDTI-UHFFFAOYSA-N 355.757 1.428 0 40 FDAB NC(=O)c1c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)sc2c1CCC2 13624220 PBVBAYNVESPGDJ-GFCCVEGCSA-N 373.434 1.124 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 39539644 AUPGYIYGKSINCR-UHFFFAOYSA-N 374.846 1.721 0 40 FDAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(C(C)C)C3=O)c2C)no1 6436178 SIGMQORWXGCTLC-UHFFFAOYSA-N 372.381 1.772 0 40 FDAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cn1 16699111 XOLAHTNCUITRPD-UHFFFAOYSA-N 355.394 1.596 0 40 FDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccccc1N1CCN(C)CC1 95408303 AKBWSZYMZCWJJM-GJZGRUSLSA-N 359.474 1.556 0 40 FDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)C2CC2)CC1 8728298 QMQKWOYXEVISKO-UHFFFAOYSA-N 355.438 1.437 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1I)N1CCCNCC1 64875972 NJEFWAMISYBPOD-NSHDSACASA-N 373.238 1.914 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccn1 61720560 BNGIECIOMRVCRH-AWEZNQCLSA-N 354.414 1.335 0 40 FDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(F)c(F)c1)NC(=O)N2 72346480 LHBOGIXATLWNJB-HNNXBMFYSA-N 351.353 1.842 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C(F)F)nc2C)C1 36614967 QYDVHAGOMOSYKQ-SNVBAGLBSA-N 351.375 1.550 0 40 FDAB CN1CCn2c(nnc2C2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 72372080 SKTOEYYMCAIYJX-UHFFFAOYSA-N 356.430 1.609 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)N1CCCC1 36365014 CKUHDWUBHCLFLC-UHFFFAOYSA-N 361.789 1.309 0 40 FDAB CCc1ccc(-c2noc(CN3CCC[C@H]3CS(N)(=O)=O)n2)cc1 74316181 XAXOKCXQLWSMFE-AWEZNQCLSA-N 350.444 1.552 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C)C(C)C 225223310 ZRTUFCBRYWQZSJ-HNNXBMFYSA-N 367.515 1.705 0 40 FDAB COc1cccc(NC(=O)[C@H]2Cc3c(ncn3C)N(CC3CC3)C2=O)c1 96264818 FYXRVJYWAJOYCO-OAHLLOKOSA-N 354.410 1.983 0 40 FDAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)CC3)cn1 96158446 AXRBMZUSFWXKJL-UHFFFAOYSA-N 354.458 1.729 0 40 FDAB COCCN1C(=O)C[C@H](c2cccnc2)C12CCN(C(=O)C1CC1)CC2 96199753 BYHSJYVYYSHVEH-QGZVFWFLSA-N 357.454 1.815 0 40 FDAB Cc1nc(CN2CCC[C@]3(C2)CN(C(=O)NC2CC2)CCO3)cs1 96226697 JRVWZDORAMLWCT-KRWDZBQOSA-N 350.488 1.990 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)cn1 96160526 CUPNNIFVPPNIFD-AEFFLSMTSA-N 357.414 1.072 0 40 FDAB COC(=O)c1nc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)sc1C 96232795 DDNGWFLRHLUKDI-UHFFFAOYSA-N 372.406 1.666 0 40 FDAB Cc1cccc(CN2C[C@H]3OCCN(C(=O)c4cnn(C)c4)C[C@H]3C2)n1 96206883 RYJNDDKMAMXUBV-SJLPKXTDSA-N 355.442 1.097 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 96107249 KUXRWUYIRJWXMT-ZBFHGGJFSA-N 355.460 1.159 0 40 FDAB COc1ncccc1CN1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96108102 JJRINXFUJLLMTK-ZWKOTPCHSA-N 357.458 1.157 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4cccnc4)C3)C2)nn1 96240557 KIUZXESVEMRIEU-AZUAARDMSA-N 369.469 1.900 0 40 FDAB CCc1ccnc(CNC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)c1 584584081 WKQRCQKXWQWLAZ-HNNXBMFYSA-N 355.442 1.469 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1cccc3[nH]ccc13)C2 247528685 OALBLASSIDHWQI-OAHLLOKOSA-N 363.483 1.698 0 40 FDAB Cc1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)n(C)n1 248007021 CGVWOBIGEYSCHS-QGZVFWFLSA-N 362.474 1.101 0 40 FDAB CCc1noc(C)c1C(=O)NCc1cncc([C@H]2CCCN2C(C)=O)n1 257260471 LCZOIHOIWRTBHC-MRXNPFEDSA-N 357.414 1.949 0 40 FDAB COc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1O 257217622 CZUMSETWVBUYRN-JTNHKYCSSA-N 374.231 1.822 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H](Cc3cnc(-c4nccn4C)cn3)C2)n1 257313213 URKSFBLMAPDBOT-CYBMUJFWSA-N 351.414 1.315 0 40 FDAB CCC[C@]1(CO)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1 278117982 LKGQPCZXJUNAIN-SWLSCSKDSA-N 360.501 1.569 0 40 FDAB CCn1ncc2cc(C(=O)N3CCC(c4nc(=N)n(C)[nH]4)CC3)c(C)nc21 614297351 CVRBWQRELXBUSS-UHFFFAOYSA-N 368.445 1.320 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)C1 624245352 AJPUAZJFFXQCSS-KMFMINBZSA-N 369.462 1.595 0 40 FDAB CCNC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)c1 626646893 BMFGFKSPKBBRGG-UHFFFAOYSA-N 366.381 1.678 0 40 FDAB CCn1cc(O[C@@H]2CN(C(=O)c3cnn4ccc(C)cc34)C[C@H]2O)cn1 628248237 GDQPETPDTQCRDU-IAGOWNOFSA-N 355.398 1.123 0 40 FDAB COc1cccc(-c2cn(CC(=O)NC3CCN(C(C)C)CC3)nn2)n1 641046517 BUSAMRIYUFBDIR-UHFFFAOYSA-N 358.446 1.338 0 40 FDAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1 663040441 PDACWLVJFBFQHD-UHFFFAOYSA-N 361.373 1.923 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc3ncsc3c2)CC1 96120334 HGIKWWXZQZJLCO-UHFFFAOYSA-N 353.469 1.698 0 40 FDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 585287781 RMOQYILDALVLBG-IRXDYDNUSA-N 359.825 1.835 0 40 FDAB CCN1CCO[C@@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1ccccc1 585098833 HBUIDSWAOYGHQL-DKWVCNRLSA-N 365.499 1.269 0 40 FDAB Cc1cc(NC(=O)CN2CCC[C@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 28903859 CDHRVLHTSZSJJP-GXTWGEPZSA-N 354.476 1.222 0 40 FDAB O=C(N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O)c1ccccc1 952844901 RSKCSAYRCBFWRO-YFYQMDMQSA-N 365.389 1.492 0 40 FDAB biogenic,in-vitro O=C(CSCc1cccnc1)NC[C@@]1(N2CCOCC2)CCSC1 53808874 OKLMMYNYUAJABE-KRWDZBQOSA-N 367.540 1.639 0 40 FDAB CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NC[C@H]1CCCN1C 637380535 WEKLESBROHXJQB-CGTJXYLNSA-N 362.522 1.539 0 40 FDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1=O 105954928 VUSGTOHRFOQPFW-HFTRVMKXSA-N 369.465 1.866 0 40 FDAB Cc1c(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cnn1C 1615155291 GZAMPQKUDREFBJ-FQEVSTJZSA-N 368.437 1.767 0 40 FDAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(N2CCOCC2)c1C 12142974 XZFQONRSCPBPIF-KRWDZBQOSA-N 374.485 1.815 0 40 FDAB CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 12367323 OLKJCPLRRZBQRX-GFCCVEGCSA-N 356.382 1.607 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)NC(C)(C)C)c(=O)[nH]c1=O 12569152 MZBRGJSWFUXQPC-UHFFFAOYSA-N 353.467 1.889 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)cc1 14405757 ZIWZJUBLKZMFKA-UHFFFAOYSA-N 357.395 1.771 0 40 FDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15331340 DCASMAXPILFGDS-KOLCDFICSA-N 362.245 1.520 0 40 FDAB NC(=O)Cn1cc(CN2CCN(C[C@@H]3CCCO3)CC2)c2ccccc21 19376112 MKSBGBNKPFAOST-KRWDZBQOSA-N 356.470 1.423 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 19463407 VIPNPUPGAQMCFP-NORZTCDRSA-N 358.442 1.384 0 40 FDAB CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 19699837 DVXWVVCMYAGPHD-HNNXBMFYSA-N 364.490 1.572 0 40 FDAB Cc1n[nH]cc1NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O 19749931 DKSVWBZUJWUGOZ-UHFFFAOYSA-N 365.393 1.449 0 40 FDAB O=C1CC(=O)NC(NN2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)=N1 1651113 HQYNFWCLLKWBHR-PTNGSMBKSA-N 373.372 1.224 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1ccc(OC)c(CC(=O)O)c1 655594660 CZARMIXOBIWEAN-UHFFFAOYSA-N 353.400 1.271 0 40 FDAB NCCNS(=O)(=O)c1cc(Br)ccc1Br 20432573 AXQBKFCJWIZQLY-UHFFFAOYSA-N 358.055 1.449 0 40 FDAB in-vitro Cc1csc(CNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1 24029581 WQEBNHQPVGOLFO-UHFFFAOYSA-N 350.444 1.713 0 40 FDAB O=C1N(c2ncccn2)C[C@@]12CCCN(c1cc(C(F)(F)F)ncn1)C2 1565541682 LXANIELPBGUDOK-HNNXBMFYSA-N 364.331 1.919 0 40 FDAB COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 4497741 CCLCEGYROFJKIW-CYBMUJFWSA-N 364.398 1.918 0 40 FDAB CN(C)c1ccc(CCNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 11693721 LCUWIKSUAJVUEN-UHFFFAOYSA-N 369.421 1.456 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2ccccc2F)CC1 2055771490 CDGXWFVCIGJJSC-UHFFFAOYSA-N 360.433 1.776 0 40 FDAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 21154110 OJLKWAOCEDSMOB-KRWDZBQOSA-N 367.446 1.516 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cn(-c2cccnc2)nn1 575619607 XDGHDRRUWPJTJV-GFCCVEGCSA-N 367.365 1.475 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 2298180927 UAJRRBOFYSORDK-IAGOWNOFSA-N 361.490 1.047 0 40 FDAB O=C1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCN1 40079508 FXALFUYQGAGLAY-CYBMUJFWSA-N 370.236 1.556 0 40 FDAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2ncc3ccccc3c2=O)cc1 30530978 PLGOBRFBJMYCMG-INIZCTEOSA-N 353.378 1.795 0 40 FDAB COc1cc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)NC(=O)[C@H]32)ccc1O 100645501 DLDBZAVQHDYZBM-ULQDDVLXSA-N 353.378 1.104 0 40 FDAB COc1ccccc1-n1cnnc1SC[C@H](O)COC[C@@H]1CCCO1 32751047 SIPFUJIXGHUENH-KGLIPLIRSA-N 365.455 1.925 0 40 FDAB CC12CN3CC(c4ccccc4)(CN(C1)C31C(=O)Nc3ccccc31)C2=O 19323692 DRVMNGLFOIUINJ-UHFFFAOYSA-N 359.429 1.950 0 40 FDAB biogenic COc1cc(CC(=O)NCCNC(=O)c2ccco2)cc(OC)c1OC 23042415 OGIFYXZGXORSSN-UHFFFAOYSA-N 362.382 1.394 0 40 FDAB O=C(Cn1ccc(NC(=O)N2CCc3ccccc3C2)n1)N1CCOCC1 78824491 AIZFHNVFFXOFCV-UHFFFAOYSA-N 369.425 1.332 0 40 FDAB CCOP(=O)(OCC)c1nc(N)nc(P(=O)(OCC)OCC)n1 1719697 GFTWOIQVJJYSKA-UHFFFAOYSA-N 368.267 1.237 0 40 FDAB NC(=O)CN1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 54389026 HEUBTGRREXHILY-UHFFFAOYSA-N 362.437 1.689 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)N2CCOCC2)c1C 23640860 SPJKFJILIAPZDN-UHFFFAOYSA-N 351.447 1.649 0 40 FDAB Nc1nc(SCc2ccccc2)c2ncn([C@H]3O[C@@H](CO)C[C@H]3O)c2n1 4946201 ZSKZMXNNWSHOOQ-HSMVNMDESA-N 373.438 1.342 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(N2C(=O)CCC2=O)c1 7783283 BPYKKIMPRHPDMK-UHFFFAOYSA-N 362.349 1.568 0 40 FDAB COc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 12532039 KZLUNKVYMBDUID-UHFFFAOYSA-N 369.381 1.001 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 58773130 ZKMVXWPFOUCRGD-UHFFFAOYSA-N 367.254 1.554 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCCOCc3ccco3)c(=O)[nH]c2c1 24828873 QSQFTGFWACFQCY-UHFFFAOYSA-N 358.350 1.676 0 40 FDAB COc1ccccc1OCC(=O)N1CCC(CN2CCN(C)CC2)CC1 57065652 TXUMZJLJIXVIJT-UHFFFAOYSA-N 361.486 1.560 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1-n1cccn1 57074242 RCJBLJYYCJWMRI-GFCCVEGCSA-N 351.453 1.731 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC=CCC3)c2)CC1 57272427 IVIQXGQPDJZGEE-HNNXBMFYSA-N 363.483 1.918 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccn2)c1 57279468 PRZPUAKGBRXOGQ-UHFFFAOYSA-N 374.426 1.873 0 40 FDAB CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(N)=O 9221291 CEMZEWVSRBECKD-UHFFFAOYSA-N 356.492 1.826 0 40 FDAB COCc1nc(OC)c2c(C)c(C(=O)NC3=NCCS3)sc2n1 57797828 VLOBWTURTKTQTB-UHFFFAOYSA-N 352.441 1.987 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)[C@H]1C(=O)O 71287635 DPLBYACYVJKCEO-KGLIPLIRSA-N 366.439 1.912 0 40 FDAB COc1ccccc1C(=O)NCCC(=O)NCc1nnc2ccccn12 10030555 BKEQSEISFUNBIG-UHFFFAOYSA-N 353.382 1.174 0 40 FDAB CN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 12782524 YHSINJRHZSHANI-CQSZACIVSA-N 352.456 1.930 0 40 FDAB COc1cc(CC(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC 3317724 NPKABMRNVLTCIR-UHFFFAOYSA-N 351.399 1.857 0 40 FDAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N(C)C)cc2)CC1 3347992 UONYKRWPEJYHBV-UHFFFAOYSA-N 368.455 1.352 0 40 FDAB CN(Cc1ccc(C(=O)O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 95349939 VCANDWFSEPMVFI-UHFFFAOYSA-N 359.382 1.208 0 40 FDAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCS(C)(=O)=O)C1=O 48374386 ONZNBFMAUDGYNQ-ZDUSSCGKSA-N 365.238 1.805 0 40 FDAB Cn1cnc(S(=O)(=O)N2CC[C@]3(C[C@@H](Nc4ccccc4)CO3)C2)c1 107225924 DBDAEAJMQXIEDJ-WBVHZDCISA-N 362.455 1.454 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 12890269 YYURUUXFNFKDEK-UWVGGRQHSA-N 363.395 1.210 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)Oc2ccc(-n3cnnn3)cc2)C1=O 12850312 MKAURWMQCHSFLO-LBPRGKRZSA-N 365.349 1.382 0 40 FDAB O=C(COc1nnc2ccccn12)Nc1ccc(N2CCCC2=O)cc1 12810653 VYHTWHPLEKTVKD-UHFFFAOYSA-N 351.366 1.874 0 40 FDAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3cc(C(C)(C)C)no3)nn12 20040802 DZXLEVTUHILYRP-UHFFFAOYSA-N 358.358 1.514 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(-c2nnco2)ccc1=O 58175750 PKUKRBUGKCROQC-AAEUAGOBSA-N 359.386 1.303 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 12800792 FPUSXDRFDAETLD-SNVBAGLBSA-N 353.448 1.290 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2F)NC(=O)N[C@@]1(O)C(F)(F)F 106213323 OTMQGFFEGSSDDZ-KWBADKCTSA-N 350.268 1.610 0 40 FDAB COc1ccc(CNC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 3497955 YCGCAZSCAACHRL-QGZVFWFLSA-N 357.362 1.695 0 40 FDAB CCCn1c(N)c(C(=O)CN2c3ccccc3C[C@@H]2C)c(=O)n(C)c1=O 3564419 VWKLOONSSBHHBI-LBPRGKRZSA-N 356.426 1.173 0 40 FDAB Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3577861 HPEUHLDTPGYAOW-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB CC(C)NC(=O)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3559266 QIXZNCXWUROBIT-UHFFFAOYSA-N 370.405 1.700 0 40 FDAB COC(=O)CCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 12919352 XFPRGUWXIACJRC-UHFFFAOYSA-N 351.362 1.679 0 40 FDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccccc1 9113855 UIQIXQYDOPQKLN-LBPRGKRZSA-N 351.362 1.785 0 40 FDAB CC(C)CNC(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13237311 WMMPRKCOFOWVLC-OAHLLOKOSA-N 360.414 1.235 0 40 FDAB COc1ccc2c(COC(=O)CNC(=O)c3ccco3)cc(=O)oc2c1 6100940 ILCIINGQMFDUJB-UHFFFAOYSA-N 357.318 1.868 0 40 FDAB CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1C 408626728 WEPKLFDRVRBAPL-UHFFFAOYSA-N 367.471 1.021 0 40 FDAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 39995729 HQCGITGHHIIYCK-LBPRGKRZSA-N 353.831 1.958 0 40 FDAB CN1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccncn1)C2 306141565 WAOXFESFWNHQAY-CQSZACIVSA-N 371.416 1.626 0 40 FDAB COc1ccc(OC)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 7394067 RQJQOIHLDJWPSI-UHFFFAOYSA-N 360.366 1.620 0 40 FDAB CCc1cccc(OCCOC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 7738188 MLCQALWKKRLKQB-UHFFFAOYSA-N 368.389 1.874 0 40 FDAB CCCN(C(=O)CSc1ccccc1C(=O)O)[C@@H]1CCS(=O)(=O)C1 7990072 LEVSYLUBLSOUEA-GFCCVEGCSA-N 371.480 1.903 0 40 FDAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2 97086287 WPZUCLTXQSUBDV-LBPRGKRZSA-N 368.846 1.988 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)c1 95462336 BNWGKLRIVZGPAA-UHFFFAOYSA-N 362.499 1.897 0 40 FDAB Cc1cc(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n2ncnc2n1 95999652 CSOYIYGXCGVKND-UHFFFAOYSA-N 370.438 1.014 0 40 FDAB C[C@](O)(CNC(=O)c1cccn1Cc1ccccc1)CN1CCOCC1 75092745 JZFNIKCUURDBAB-FQEVSTJZSA-N 357.454 1.349 0 40 FDAB Cc1occc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 23041435 CBIAINDQVDGENC-UHFFFAOYSA-N 364.423 1.539 0 40 FDAB CCOC(=O)N1CCN(c2cc(=O)n(-c3ccccc3C)c(=O)[nH]2)CC1 4949832 GEHJKKGBKWCIDK-UHFFFAOYSA-N 358.398 1.113 0 40 FDAB O=C(CC1CC1)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306135991 PFYFMMQHXZBSRO-HNNXBMFYSA-N 364.467 1.414 0 40 FDAB CNC(=O)c1cc(C2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)ncn1 72357454 SUYNGMBXMGCRSD-KRWDZBQOSA-N 353.426 1.242 0 40 FDAB CNc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCN(C)C2 72380155 GSLQZMSATSSNQL-HNNXBMFYSA-N 366.469 1.921 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)NCCOc2ccccc2)c2ccccc2O1 39992507 MJUVWOWFLAAHFF-GOSISDBHSA-N 369.421 1.195 0 40 FDAB NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 70641418 LSUUDOBGRQSKBT-INIZCTEOSA-N 353.378 1.152 0 40 FDAB O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccco1 36584605 DIWNAQNBNNROLR-CYBMUJFWSA-N 371.349 1.135 0 40 FDAB CCc1nccn1-c1cccc([C@H]2CCCN2CC(=O)N2CCOCC2)n1 72379152 DWLXWPKYNYKFGP-QGZVFWFLSA-N 369.469 1.825 0 40 FDAB COC(=O)c1ccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 79479065 GAQWMHJTARKMCQ-NSHDSACASA-N 353.338 1.119 0 40 FDAB O=C(O)c1cn(C2CCN(C(=O)Cn3ccc4ccccc43)CC2)nn1 566631441 PJVMDFZDQQYVPO-UHFFFAOYSA-N 353.382 1.795 0 40 FDAB CC(=O)NCCCNC(=O)Nc1cccc(I)c1 43317192 IMFIHXAGTINGFK-UHFFFAOYSA-N 361.183 1.939 0 40 FDAB COc1cc(C[C@@]2(c3cccs3)NC(N)=NC2=O)cc(OC)c1OC 71976284 NCTVIMJBJPFPCA-KRWDZBQOSA-N 361.423 1.656 0 40 FDAB Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2C(=O)N(C)C)n1 48230933 DUXWMHRMNISDBW-CQSZACIVSA-N 355.446 1.558 0 40 FDAB O=C(O)CC1(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 569612202 SOJBAZUOCQRFAL-CQSZACIVSA-N 370.446 1.823 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 45332960 MWNDCVJYEMGYGE-UHFFFAOYSA-N 356.426 1.278 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)c1ccco1 49544749 CVPTVECFIIOJCB-OAHLLOKOSA-N 368.397 1.218 0 40 FDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(F)c(F)c1 224157104 YWICCINBNPEHDR-UHFFFAOYSA-N 354.382 1.834 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccc2nsnc2c1 225805762 DROLIFYNDMHMIN-UHFFFAOYSA-N 373.419 1.186 0 40 FDAB O=C(Nc1ccccc1NC(=O)c1cccc[n+]1[O-])c1cccc[n+]1[O-] 226864738 CVHNZOYJUAXCTM-UHFFFAOYSA-N 350.334 1.458 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C=C(C)C)CC1=O 94993023 KLGZADBNKKHEME-CQSZACIVSA-N 359.426 1.247 0 40 FDAB COCCNC(=O)c1c2c(N3CCN(C)CC3)ncnc2n2ccccc12 96146732 FKCQKFWTDYNHGY-UHFFFAOYSA-N 368.441 1.011 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1nccs1)C2 96039760 BBWJJVMWFKHJQI-YOEHRIQHSA-N 353.488 1.619 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccn(C)n3)C2)OC1 248123965 NZZDPAXCUHFSRI-HNNXBMFYSA-N 358.442 1.766 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 248152416 XASDSOYOHMXQEB-GOSISDBHSA-N 370.453 1.698 0 40 FDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 248053817 NYAAHGRDBOFCAU-LPHOPBHVSA-N 353.426 1.772 0 40 FDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247984171 KEULHZYMPPFQCY-INIZCTEOSA-N 372.425 1.101 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2cc(C)no2)cn1 257248960 JFZPAHSUTBTKCP-UHFFFAOYSA-N 353.382 1.735 0 40 FDAB CN(C)CC(=O)N1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 257284740 PECCJSDBSYHFFL-GOSISDBHSA-N 368.437 1.309 0 40 FDAB O=C(/C=C/c1cccnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257203845 ARXKISKQTFBKOR-REMYHPOOSA-N 351.397 1.789 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3F)nc2)CCO1 257226010 FITQPMLYZZKRDA-IBGZPJMESA-N 357.385 1.528 0 40 FDAB Cc1ncncc1C(=O)N1CC[C@@H](Cc2cc(-c3nccn3C)ncn2)C1 257288037 PSOBXYCXWOTGFI-AWEZNQCLSA-N 363.425 1.680 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CN3CCC2CC3)c1C 601446223 WQNSCDIKGOCWFP-HNNXBMFYSA-N 352.456 1.496 0 40 FDAB Nc1ncc2c(n1)CN(C(=O)c1ccc3nc(O)n(C4CC4)c3c1)CC2 623322509 HQXVGSNKWFLBTO-UHFFFAOYSA-N 350.382 1.648 0 40 FDAB CN1CC[C@H](C(=O)NCc2ccc(OCC(F)(F)F)cc2)S1(=O)=O 648229879 USRQLLRZTIAVGC-GFCCVEGCSA-N 366.361 1.278 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)nc1)n1cnc2c(N)ncnc21 665831110 YJDOZFGPPZNKPO-GFCCVEGCSA-N 366.429 1.994 0 40 FDAB O=C(NCc1ccc(F)cc1F)C1CN(c2cc(-n3cncn3)ncn2)C1 575609146 JQOQGRBAQAHMIT-UHFFFAOYSA-N 371.351 1.088 0 40 FDAB CCc1ccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cc1 585112147 JBGQYWCQUBGXKD-SFHVURJKSA-N 362.499 1.942 0 40 FDAB CS(=O)(=O)NCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 47666693 AXSZHLHRDMKAAR-UHFFFAOYSA-N 354.428 1.996 0 40 FDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2)n1 61131326 KFEIAADFLMUXPV-GOSISDBHSA-N 361.467 1.855 0 40 FDAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NC[C@H]1CCCO1 75156414 JZNZUNBACIAJJB-MRXNPFEDSA-N 356.426 1.355 0 40 FDAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)cc1 633083181 SWLNBZQVKNFMPO-SFHVURJKSA-N 358.486 1.993 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1ccc(Cl)cc1 5776245 JVTZCQVQTRPODQ-UHFFFAOYSA-N 357.796 1.873 0 40 FDAB Cc1nc(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1C 12113680 DOEMPRAYMBYQLP-UHFFFAOYSA-N 370.409 1.832 0 40 FDAB COCCNc1nc([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[nH]1 19235579 QTAYIFNQSCUGTK-CQSZACIVSA-N 356.426 1.966 0 40 FDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC(Oc2cnccn2)CC1 244933120 CCFSCWGIZHZTRE-INIZCTEOSA-N 370.409 1.723 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cccs2)s1 10678337 BAIPFRWVDHVBRG-UHFFFAOYSA-N 366.511 1.538 0 40 FDAB COc1cccc2sc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc12 1889139422 PUZZJYPIYIEWRG-ZDUSSCGKSA-N 363.439 1.369 0 40 FDAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC(=O)C1 13000710 PAZXOGRQYXOFPX-MRVPVSSYSA-N 361.623 1.828 0 40 FDAB CN(C)C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1 2037873581 YHGHYNCKYOCJCT-IMFGXOCKSA-N 359.470 1.121 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cccn(C)c1=O)CC2 1565550051 NNGWQQYSCWEVLB-UHFFFAOYSA-N 355.394 1.116 0 40 FDAB Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)s1 13846228 RTHMAEZPLMUJEL-UHFFFAOYSA-N 353.429 1.160 0 40 FDAB COc1ncccc1CN[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731575 GRRJQHHSXIJABE-HUUCEWRRSA-N 358.442 1.292 0 40 FDAB O=C([C@@H]1COc2ccccc2O1)N1CCC(N2C(=O)CSC2=O)CC1 206980010 POXGWUZENWXLLU-AWEZNQCLSA-N 362.407 1.513 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC2CCOCC2)nc1 225711033 DXVAUKZBKVUPIZ-UHFFFAOYSA-N 366.381 1.867 0 40 FDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ccc3nccn3n2)C1 585605873 KCTJFTTWYQNXMA-UHFFFAOYSA-N 359.393 1.484 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NCCCc1cnc2ncnn2c1 225645765 FOLGRJUWWUKBAI-UHFFFAOYSA-N 368.397 1.100 0 40 FDAB O=c1c2cc3c(=O)n(-c4ccccc4)c(=O)c3cc2c(=O)n1-c1ccccc1 3123545 KTFOPJDWCAMBFN-UHFFFAOYSA-N 368.348 1.891 0 40 FDAB CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)C(=O)O1 19460953 APCKHURXNORNPR-DOMZBBRYSA-N 358.442 1.518 0 40 FDAB CN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@@H](c2ccccc2)C1 30030010 QATVTYSKNRVEMY-GOSISDBHSA-N 352.438 1.984 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 40073783 DKODNWDGHPZQAT-ZDUSSCGKSA-N 350.415 1.586 0 40 FDAB Cc1cc(=O)n2nc(NCc3ccc(CN4CCOCC4)cc3)sc2n1 40049468 CJQCVGPBUROVFB-UHFFFAOYSA-N 371.466 1.904 0 40 FDAB O=C(CN1C(=O)[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1=O)N1CCCC1 100250720 BHMMXVLPFJSNJD-ACJLOTCBSA-N 351.406 1.805 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc2c(c1)OCO2 31790818 BTAGVXVEVUQPRG-UHFFFAOYSA-N 358.741 1.694 0 40 FDAB COCc1nnc(NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)s1 31847056 FNTRTGWYGSEVPK-UHFFFAOYSA-N 368.802 1.702 0 40 FDAB COc1ccc(OC)c(CNC(=O)c2csc(S(N)(=O)=O)c2)c1 31970752 OSDLLAXVHMQACF-UHFFFAOYSA-N 356.425 1.343 0 40 FDAB C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(-n2ccnc2)cc1 32739268 DZYFUYUIGYRSKZ-CQSZACIVSA-N 369.425 1.724 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 102636468 ZRUGBQYLEPDZMK-OKILXGFUSA-N 358.394 1.962 0 40 FDAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N(C)C 32925737 WHORYKNQNLCOCU-LBPRGKRZSA-N 362.398 1.526 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CCCn1c(=O)oc2ccccc21 95393799 IAJQKMITQZTAPV-UHFFFAOYSA-N 373.434 1.695 0 40 FDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 24686440 JVVRKBBDCZFDTE-GFCCVEGCSA-N 350.362 1.995 0 40 FDAB CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8297688 REVYFQABXZHRSA-UHOSZYNNSA-N 368.485 1.024 0 40 FDAB biogenic,in-vitro CN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O 8769437 JGHGPPQSICADHX-UHFFFAOYSA-N 357.819 1.045 0 40 FDAB CCOC(=O)[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C1 34890294 LPBKMXUQZYSADO-IYOUNJFTSA-N 351.447 1.720 0 40 FDAB COc1ccccc1CNC(=O)[C@H](C)N1CCN(c2nccs2)CC1 57364761 HONHPCPQLDUPRL-AWEZNQCLSA-N 360.483 1.979 0 40 FDAB CNc1ccccc1C(=O)OCC(=O)N[C@H](Cc1ccccc1)C(=O)OC 26911156 OCACGJWNMAFPDK-QGZVFWFLSA-N 370.405 1.786 0 40 FDAB CN1CC(=O)N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)C1=O 57768827 BATJYMWYWXZHDL-UHFFFAOYSA-N 359.411 1.818 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2COc3ccccc3C2)c1 57892799 KURZBFFKZJQGDR-AWEZNQCLSA-N 374.462 1.918 0 40 FDAB CN(C)C(=O)C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 55170680 UKDTTWMADJZIEB-UHFFFAOYSA-N 359.348 1.963 0 40 FDAB CC(C)NC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 10076215 XBIWPGIGQIPSIR-UHFFFAOYSA-N 373.500 1.177 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)cc1C(F)(F)F 58195215 UQZQBQRUKPEGBO-SNVBAGLBSA-N 350.362 1.900 0 40 FDAB O=C1NC(=O)C2(CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)N1 12795115 ZMEDAIDRBCBTDG-UHFFFAOYSA-N 374.404 1.870 0 40 FDAB Cc1cccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@H]2N(C)C)c1 59417245 WJCGXFWLRWRBRH-SFHVURJKSA-N 370.434 1.662 0 40 FDAB CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F 58245346 WFDDVCPVKGYWNM-SNVBAGLBSA-N 365.224 1.487 0 40 FDAB CCCCc1ccc(-n2nnnc2SCC(=O)NCC(=O)OC)cc1 12793506 MOMBZYUNHSUTCO-UHFFFAOYSA-N 363.443 1.386 0 40 FDAB C[C@]1(c2ccccn2)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 58343448 AYDGSDYVDYMNSC-FZKQIMNGSA-N 359.357 1.428 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)Nc3nc(CC(N)=O)cs3)CC2=O)cc1 10909335 NTFXLYVZRLNURE-LBPRGKRZSA-N 372.450 1.725 0 40 FDAB CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 10968212 WGJLSUBMRPFVJR-UHFFFAOYSA-N 366.425 1.857 0 40 FDAB COc1cc(OC)nc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n1 12899888 FTDCGVHDBUBZLZ-UHFFFAOYSA-N 358.276 1.313 0 40 FDAB CN1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccncc2)no1 20464198 MGVZQWYMAOLNST-JSGCOSHPSA-N 351.370 1.097 0 40 FDAB biogenic,in-vitro O=C(NCCNc1ncccn1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 47104711 CPKBYQNMZPNNGI-HNNXBMFYSA-N 355.398 1.436 0 40 FDAB C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccccc4)nc23)C1 71328199 JHWRBPXHSGZOFF-AWEZNQCLSA-N 366.425 1.766 0 40 FDAB Cn1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1=O 63331499 BQSLVQYEEROIJX-LLVKDONJSA-N 371.220 1.862 0 40 FDAB NC(=O)NC(=O)COc1c(Br)cccc1Br 49373626 IUZATKIHLGHQRB-UHFFFAOYSA-N 351.982 1.785 0 40 FDAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 9238776 MYHYPKWOFJYHSL-JYJNAYRXSA-N 373.482 1.949 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C 49544793 YTPVTCWVINFBNF-NWDGAFQWSA-N 363.443 1.717 0 40 FDAB COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 65592286 KTGLYYOZLRTUTA-KGLIPLIRSA-N 356.426 1.915 0 40 FDAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCCO1 9337315 SUZNJTBXEKLMJH-MRXNPFEDSA-N 365.389 1.692 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCCC2)C1=O 5450226 PYDCEVSPFVYMIM-SFHVURJKSA-N 359.382 1.195 0 40 FDAB 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O=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)Nc2ccccn2)c1 97165289 CVGHLDLQNVVOTG-UHFFFAOYSA-N 367.452 1.571 0 40 FDAB COc1ccc2cc(NC(=O)CCNC(=O)c3cnccn3)cnc2c1 72404475 YEEPOCRFROOUNM-UHFFFAOYSA-N 351.366 1.792 0 40 FDAB COCCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999117 WKDSFOXPFNDHBE-OAHLLOKOSA-N 352.456 1.406 0 40 FDAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc3cncn3c2C)CC1 95993635 SXNRCDSXOLOIEM-UHFFFAOYSA-N 364.471 1.529 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 62022620 JVAQRLVVZCZYQV-UHFFFAOYSA-N 366.364 1.402 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cccc(C)c3)c(=O)cc2C1 67318863 NUZRQJRMXDYTOI-UHFFFAOYSA-N 370.409 1.705 0 40 FDAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nc(N)nc4c3cnn4C)C2)n1 514799244 UFCMFEJPILZTKY-LBPRGKRZSA-N 366.429 1.504 0 40 FDAB CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 533573508 OEUNPKUKGDNTDD-VIFPVBQESA-N 372.397 1.512 0 40 FDAB CN1CCN(C(=O)c2ccc(F)cc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355067 QBXWHUNJDFMMKL-OAHLLOKOSA-N 371.460 1.928 0 40 FDAB 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JBTIQDZEYLLUEV-UHFFFAOYSA-N 358.350 1.575 0 40 FDAB biogenic CNc1ncnc2cc(C(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)ccc12 615957394 KLVAMRMNWYWRDF-GOSISDBHSA-N 374.466 1.712 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3nc(-c4ccccc4F)no3)C[C@H]2O)cn1 625628226 BQYGPDRVOPOPIO-HUUCEWRRSA-N 359.361 1.233 0 40 FDAB Cn1ccnc1[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2O)CCO1 632429653 PERKTDCVEXZHQD-PWSUYJOCSA-N 371.846 1.978 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc(Cl)c1F 647928403 LBSHRTYHQUCFQQ-CYBMUJFWSA-N 351.783 1.733 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 647928706 SMOQKJZSMLFHHW-CQSZACIVSA-N 363.819 1.603 0 40 FDAB CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCc1ccc(F)cc1 656940551 MZLNASKMTSBLTE-SQNIBIBYSA-N 370.490 1.882 0 40 FDAB Cn1ccnc1[C@@H]1[C@@H](CNc2nccn(C)c2=O)CCC(=O)N1C1CC1 664662353 JTPGVGDFSDBPNT-DOMZBBRYSA-N 356.430 1.068 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1n[nH]c2cc(F)ccc12 682821886 HLAOJCLGUGMRBD-PVFTVIPPSA-N 354.341 1.448 0 40 FDAB CO[C@](C)(CO)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 655207956 HOLKWAZBPOTVGV-HNNXBMFYSA-N 368.231 1.762 0 40 FDAB O=C(Cc1cccs1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575617869 SEPMQCPRRGHIKB-UHFFFAOYSA-N 370.434 1.965 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585112073 IFACOMRIBWZSNM-OAHLLOKOSA-N 354.501 1.831 0 40 FDAB O=C(c1cocn1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1 585098537 ZFLSRUCQSLDSKF-GFCCVEGCSA-N 351.357 1.627 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)CO1 36389730 XJINMYWNNOBQNC-ZJUUUORDSA-N 369.411 1.481 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)cc1 14168556 RZWDCGBHBOYWDK-UHFFFAOYSA-N 370.434 1.492 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19500774 UXXUWGNCUZDDFZ-YGTYGHESSA-N 362.401 1.803 0 40 FDAB COc1ccccc1[C@H](CNC(=O)C1=NNC(=O)CC1)N1CCCCC1 35317012 BRPBHYHRGBTTEA-INIZCTEOSA-N 358.442 1.604 0 40 FDAB O=C([C@H]1CCOC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545037 QCSOVVCRXKIBLK-AWEZNQCLSA-N 374.416 1.517 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCOCC2)s1 21154341 MNQKNGBKPHODMP-OAHLLOKOSA-N 369.512 1.747 0 40 FDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)n1nnc2ccccc21 4917214 ZLPNRNHCODFUHX-UHFFFAOYSA-N 372.406 1.141 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]3C2)nc(O)c1F 1888864280 GDCNMWWJSGVWRB-VXGBXAGGSA-N 361.377 1.443 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 16962551 JUCWKOHWXYPOGW-HNNXBMFYSA-N 367.471 1.531 0 40 FDAB CCn1cc(C(=O)N2CC[C@@H](c3ncon3)C2)c(=O)c2ccc(C)nc21 238838034 HEKFIEBFBGAWME-GFCCVEGCSA-N 353.382 1.738 0 40 FDAB COc1ccc(CN2CCN(c3cc(C)nc4ncnn34)C[C@H]2C)cn1 2086968373 FUOLCPPTCGKLER-CQSZACIVSA-N 353.430 1.547 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nccc(-c5ccncc5)n4)CC3)nn12 2087045370 KYGKRWYNZFOAEU-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cn1c(C(=O)N2CC[C@@]3(C[C@H](Nc4ccccn4)CCO3)C2)cccc1=O 1565552542 ZBRXNMLHWGIAHO-FOIQADDNSA-N 368.437 1.656 0 40 FDAB Cc1nc(C(=O)N2CCn3c(nc(CN(C)C(C)C)cc3=O)C2)cs1 1565555164 UZZCSPGOFTYZFZ-UHFFFAOYSA-N 361.471 1.504 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 1565545247 CAMFRLKRVPIDCB-LPHOPBHVSA-N 369.425 1.428 0 40 FDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N[C@H](C)COC)c2ccccc21 3007571 SSUMZJUCQBKOKS-CQSZACIVSA-N 373.453 1.844 0 40 FDAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccon3)CCOCC2)cc1 16974772 RGBBILLZOJFYEB-UHFFFAOYSA-N 359.382 1.486 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1Cl 49490226 JZVPHACHFBLEKO-NSHDSACASA-N 351.756 1.737 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)Nc1nc(C2CC2)cs1 575619059 GHAWXFZMBYWBFW-UHFFFAOYSA-N 352.416 1.308 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-n2cccn2)c1 40081247 MQHPVJNQYSJFRZ-UHFFFAOYSA-N 360.377 1.294 0 40 FDAB CCS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1C(F)(F)F 51162535 AZAQTFNSUJELOA-UHFFFAOYSA-N 374.406 1.313 0 40 FDAB Cc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)c2n1 32242487 ALBWWRPYQDIGAJ-UHFFFAOYSA-N 372.473 1.019 0 40 FDAB CCCn1nc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)ccc1=O 32841816 MWOXFMUZJNOENX-KRWDZBQOSA-N 351.410 1.906 0 40 FDAB C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 32930002 IVAJEGSPIARLBA-MRXNPFEDSA-N 364.449 1.901 0 40 FDAB COC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 22931803 QOKBRFAEENAXDB-ZDUSSCGKSA-N 353.850 1.766 0 40 FDAB Cc1ccc(-n2nnnc2NCc2ccccc2NS(C)(=O)=O)cc1 54059458 ZJDVNAGKXXBMQT-UHFFFAOYSA-N 358.427 1.954 0 40 FDAB COc1ccc(C)cc1NC(=O)NCCN1CCN(c2ncccn2)CC1 47336606 OSAQRNRZAPDZJW-UHFFFAOYSA-N 370.457 1.737 0 40 FDAB Cc1nc(N2CCC3(CC2)OCCO3)c2nnn(Cc3ccccc3)c2n1 1347434 RPKGGTBXHKDCPS-UHFFFAOYSA-N 366.425 1.921 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1 1365484 HDGSYRKEOFWLOJ-UHFFFAOYSA-N 352.456 1.622 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](CS(C)(=O)=O)C(=O)O 2031889 ACGYJALXQWCTAS-LLVKDONJSA-N 363.819 1.111 0 40 FDAB CC1(C)OC[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]2COC(C)(C)O2)O1 4758586 QWWCXQXIXFIHQA-CAOSSQGBSA-N 366.410 1.876 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 24712242 PFXGXZUMPPFQJT-GFCCVEGCSA-N 350.362 1.947 0 40 FDAB O=C(c1nnsc1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 1401291 GQDWBQKIPREMOP-UHFFFAOYSA-N 373.843 1.497 0 40 FDAB CCOC(=O)N[C@](Nc1nnc(C)s1)(C(=O)OCC)C(F)(F)F 1659525 XUCAZKLXOQOJNI-SNVBAGLBSA-N 356.326 1.826 0 40 FDAB CCOCCCNc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 12624491 VOJIXKBMSPOYET-SECBINFHSA-N 361.493 1.688 0 40 FDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCCC2)c1 58184146 OVKVKIFZQZGDFW-VOTSOKGWSA-N 355.412 1.675 0 40 FDAB C[C@@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N1CCNC1=O 58163521 HGSNJRDELIGHMW-OAHLLOKOSA-N 371.485 1.571 0 40 FDAB COC(=O)[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(C)C 58210296 BSAUHVPWOJWXID-HNNXBMFYSA-N 351.428 1.407 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2152832 CDWLMBMGTZEQEZ-MELADBBJSA-N 361.442 1.707 0 40 FDAB biogenic CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=Cc2ccccc2OC1 58392360 KOQOYSZXOSZETR-KRWDZBQOSA-N 357.454 1.521 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCCN(C)C)cc1 45164394 UFYSZHZLVLIRMZ-QGZVFWFLSA-N 369.531 1.756 0 40 FDAB C[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 46951108 XUYKHSZGJCPFLR-ZFWWWQNUSA-N 356.513 1.548 0 40 FDAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)c3ccc(Cl)c(Cl)c3)cnc12 28527265 MZPOPNNENGWVID-UHFFFAOYSA-N 353.165 1.454 0 40 FDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1C/C(O)=N/S(C)(=O)=O 48480549 XMHDNMZCENIREE-UHFFFAOYSA-N 351.310 1.219 0 40 FDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 49545587 VTZNRLCYTLQYDS-CQSZACIVSA-N 359.382 1.644 0 40 FDAB CN(C)c1ccc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)cn1 96005392 FEBBBCLVIOAGAL-UHFFFAOYSA-N 360.439 1.414 0 40 FDAB O=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1 172035458 HSYLPPYWWSHWAO-UHFFFAOYSA-N 353.426 1.486 0 40 FDAB COc1ccc2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)ccc2c1 14113324 VALIVKXKKFXAAG-UHFFFAOYSA-N 367.449 1.885 0 40 FDAB CCn1ncc(CN2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)c1C 22277330 CXVKRUBAPOAFAM-UHFFFAOYSA-N 364.881 1.865 0 40 FDAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 9302684 MYTHDDPRIDIHPS-NHAYFPRASA-N 367.405 1.210 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc3ccccc3n2)CC1 5846204 PKQLLSREEAGXAL-UHFFFAOYSA-N 371.393 1.692 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2)s1 15516844 LKNXGGZHLUKABE-UHFFFAOYSA-N 367.448 1.880 0 40 FDAB CC1(C)C(=O)N=C(S)NN1[C@H](CC(=O)O)C(=O)Nc1ccccc1F 9489180 ZCEZBZNDGMOOKT-SNVBAGLBSA-N 368.390 1.019 0 40 FDAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1)C1CC1 7936532 LIAZMXJZIFPHCQ-QMMMGPOBSA-N 369.472 1.476 0 40 FDAB COC(=O)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 8010671 UHPLEESEIQNCIS-UHFFFAOYSA-N 362.407 1.990 0 40 FDAB Cn1ncnc1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 91185865 BWLQWJPXNPBYCP-NSHDSACASA-N 350.373 1.879 0 40 FDAB Cc1cccc([C@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)c1 21123187 HYEBAJUWAPRMEK-QGZVFWFLSA-N 366.465 1.812 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N[C@H]3c4ccccc4C[C@@H]3O)CC2=O)cc1 81705226 GBIZLAMHJXLXEM-WNYOCNMUSA-N 366.417 1.823 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 8328024 AXTBUKIRVPXTNM-LJQANCHMSA-N 374.441 1.813 0 40 FDAB COc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1 17196257 HQSIZOQZCDAPKJ-KRWDZBQOSA-N 365.389 1.475 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCO[C@@H](C(C)C)C1)n2C 95994286 WXALSCAWJQBEMH-CYBMUJFWSA-N 363.462 1.080 0 40 FDAB CCN(CC(=O)NC(C)C)[C@H]1CCCC[C@H]1N(CC)CC(=O)NC(C)C 95943812 PKSGBEZKJKKJTH-HDICACEKSA-N 368.566 1.991 0 40 FDAB CS[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C[C@H]1N(C)C 89568457 VMYCFYIHQALSEZ-NVXWUHKLSA-N 372.494 1.659 0 40 FDAB O=C(NCCNC(=O)C1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@H]12)c1ccc(O)cc1 521333053 KOXLQEKZLJTBDZ-KPOKEDORSA-N 352.434 1.632 0 40 FDAB CCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)N2CCOCC2)c1C 36621461 QPWYPPLOALQSSF-UHFFFAOYSA-N 368.384 1.713 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 72339017 IGNOGTUSSJKHTN-UAGKWWLTSA-N 370.449 1.925 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)Cc3cccc(Cl)c3F)CC2)C1=O 566137359 LPLPWFXCAXLDBB-HNNXBMFYSA-N 367.852 1.833 0 40 FDAB O=C1CC[C@H](N2CCN(c3nc(-c4ccccc4)ns3)CC2)CCN1 562705504 IDMVDIVCBYSOMK-HNNXBMFYSA-N 357.483 1.996 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@H](Oc2cnccn2)C1 77265769 UOGNPLHVQDWBGA-CYBMUJFWSA-N 353.375 1.084 0 40 FDAB biogenic,in-vitro NC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 223297920 ZNINYHBEDWRXOH-UHFFFAOYSA-N 364.379 1.123 0 40 FDAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 222612349 HXJPAFBEHGLTIO-UHFFFAOYSA-N 357.435 1.859 0 40 FDAB CN1CC[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 225953326 UGXXOVDCZATOHP-NOZJJQNGSA-N 364.345 1.948 0 40 FDAB CCS(=O)(=O)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 96206626 TVVRCWHLDADNAD-AWEZNQCLSA-N 355.460 1.324 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1 247830085 KUMBYRWLNQAAEL-ZDUSSCGKSA-N 368.484 1.389 0 40 FDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCO[C@@H](c2nccs2)C1 246086722 FMQZOPHOUAYYCB-IUODEOHRSA-N 372.450 1.890 0 40 FDAB O=S1(=O)CC[C@@H](COc2ccccn2)C12CN(Cc1cccnc1)C2 247320622 LPZCGVNCGOZHRQ-INIZCTEOSA-N 359.451 1.545 0 40 FDAB COCc1cccc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)c1 257280268 OKFPARGASXUZHD-IBGZPJMESA-N 356.426 1.384 0 40 FDAB O=C(c1cccnc1O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257281475 OPIVNBNDKVJIEL-QGZVFWFLSA-N 369.412 1.876 0 40 FDAB CN(C(=O)c1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257330938 XQRRUWJXDVSJTC-GUDVDZBRSA-N 370.453 1.373 0 40 FDAB COc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)c1 257317108 VILOEUBNRMDQEN-IBGZPJMESA-N 356.426 1.589 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1Cl 257228625 FUPKIHXCUHJMER-PBHICJAKSA-N 368.861 1.717 0 40 FDAB CC(=O)N1CC2(CCN(CC(=O)N3CCCC3)CC2)C[C@H](O)C1(C)C 257240884 HVOUBAZUBDGTIS-INIZCTEOSA-N 351.491 1.083 0 40 FDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CN(C)C2CCCC2)n1 257238908 HNBSFVWJVIZWOF-SFHVURJKSA-N 359.474 1.651 0 40 FDAB CCc1ccc(-c2noc(CN3CCC[C@](O)(CC(=O)NC)C3)n2)cc1 643814528 WNCBVRQRPUHHCN-IBGZPJMESA-N 358.442 1.762 0 40 FDAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)Cn3cc(C)nn3)[C@H]2O)c1 585286564 LNRWOZDGYFIRMU-SZVBFZGTSA-N 358.442 1.620 0 40 FDAB COCCN1CC[C@]2(CN(Cc3cncc(C)n3)CC(F)(F)C2)C1=O 585093313 OTDPTIQUIHPYBF-INIZCTEOSA-N 354.401 1.491 0 40 FDAB O=C(CCOc1ccccc1Cl)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685943008 ZTDAAOOBZLNVTC-DZGCQCFKSA-N 351.790 1.795 0 40 FDAB O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 52805739 DHIAJARCMLSNMV-UHFFFAOYSA-N 371.416 1.331 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@H](CN=c2[nH]c(=N)c3ccccc3[nH]2)C1 585080303 CDSLMMBRIOQMDB-ZDUSSCGKSA-N 363.487 1.328 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCc1ccccc1 12146214 PNWMGWGDOBOYKS-SFHVURJKSA-N 363.417 1.954 0 40 FDAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCN(CCO)CC1 12893409 YPTCKAMWBWGOOU-UHFFFAOYSA-N 373.689 1.945 0 40 FDAB COc1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888890834 ZPKRZTGKIOKVQU-LBPRGKRZSA-N 367.413 1.706 0 40 FDAB O=C(C1CCOCC1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978275 MRTDXWUZHIRWSY-FQEVSTJZSA-N 358.438 1.695 0 40 FDAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C(=O)N1CCC(O)CC1 4941644 MIEFJNDQBKRJNU-UHFFFAOYSA-N 372.450 1.541 0 40 FDAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NC3CC3)cs2)cc1 9828672 YGPSYLUTPGYVMN-UHFFFAOYSA-N 367.452 1.774 0 40 FDAB CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@H]3O2)CC1 2055729698 XMOUCMPIDYJCPO-CWRNSKLLSA-N 356.488 1.217 0 40 FDAB COc1ccc(N2C[C@@]3(COCCN(C(=O)C4CC4)C3)OCC2=O)cc1 2055803517 CMZQIHPDZNSUPO-IBGZPJMESA-N 360.410 1.066 0 40 FDAB COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 26455771 YPMYAGKRYUGMMW-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)ncnc21 2086894023 OKYAEBMBEOJJOT-RBSFLKMASA-N 370.457 1.310 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)s1 206903219 VODITAOUXZBIKF-UHFFFAOYSA-N 370.442 1.093 0 40 FDAB COc1ccc(CN2CCN(c3ncnc4c3ncn4C)C[C@@H]2C)cn1 2298054307 BSSBGVGJTFYBDI-ZDUSSCGKSA-N 353.430 1.478 0 40 FDAB Cc1nc2cc(F)ccc2cc1C(=O)NCCCN(C)S(C)(=O)=O 40089382 DFBKEOBVNCALRF-UHFFFAOYSA-N 353.419 1.694 0 40 FDAB CCCN1CCc2c(sc3c2c(NCCCOC)nc2nnnn23)C1 20503711 RATBDGXCIQMOPQ-UHFFFAOYSA-N 361.475 1.951 0 40 FDAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCn1cnc2ccccc21 40789307 LAECHCXURYOGAK-KRWDZBQOSA-N 350.378 1.942 0 40 FDAB Cc1ccccc1OCCN(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 32788604 ZFFVTRYDCMBOAC-UHFFFAOYSA-N 353.378 1.676 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)s1 33028382 PPPOXBVDCFDZKT-AWEZNQCLSA-N 351.472 1.110 0 40 FDAB CC(=O)N1CCCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 53457311 GYMVQIWFSPGLJO-UHFFFAOYSA-N 355.841 1.992 0 40 FDAB Cc1ccn2cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)nc2c1 22601231 XWMCEFSKASHKOR-UHFFFAOYSA-N 372.450 1.823 0 40 FDAB Cn1/c(=N\C(=O)COc2ccc(CC(N)=O)cc2)sc2ccccc21 104059083 YPICQMFXCZJVDW-CZIZESTLSA-N 355.419 1.774 0 40 FDAB O=C(CCC(=O)N1CCOCC1)NCCOc1cccc(C(F)(F)F)c1 54031166 IFZXGARKEGTWPG-UHFFFAOYSA-N 374.359 1.839 0 40 FDAB Cn1c(=O)n(CC(=O)OCc2nnnn2-c2ccccc2)c2ccccc21 23214330 ULUMTHNQWLWNIN-UHFFFAOYSA-N 364.365 1.059 0 40 FDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CC(=O)N(C)C)CC1 23249249 FUQIVPAZAUYRDY-CYBMUJFWSA-N 352.866 1.373 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(=S)n1-c1ccc(F)cc1 12533641 PUTMISZREGTJIX-SNVBAGLBSA-N 355.416 1.591 0 40 FDAB Cc1ccn2c(=O)nc(SCC(=O)NCc3ccc(F)cc3)nc2c1 4503868 MTPGAVZQDIDJBQ-UHFFFAOYSA-N 358.398 1.946 0 40 FDAB CC(C)[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4966886 UNPIBARUCYLQBW-KRWDZBQOSA-N 372.421 1.909 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2C 24988766 ZKVBNJFCCRYIEQ-OAHLLOKOSA-N 353.430 1.601 0 40 FDAB CCn1c(=O)n(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21 10459925 IJTIARFTJCIQKJ-UHFFFAOYSA-N 368.437 1.835 0 40 FDAB CC[C@H](C)NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520143 GWMBZXLLUHFQJO-NSHDSACASA-N 374.470 1.561 0 40 FDAB COC(=O)C1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 9576560 LMTFFJMLJALRRX-UHFFFAOYSA-N 358.394 1.474 0 40 FDAB C[C@]1(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)CCS(=O)(=O)C1 10030551 QSUJWLZRBIIFBQ-ABAIWWIYSA-N 356.469 1.046 0 40 FDAB CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cccc(F)c1 58177879 BQPBOVVLUSISJJ-UHFFFAOYSA-N 352.387 1.776 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1 10237755 WYJYSHODGSISTD-AWEZNQCLSA-N 365.455 1.641 0 40 FDAB CNC(=O)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 10767266 GWPHKVMXZLHVDW-UHFFFAOYSA-N 366.421 1.989 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 58647971 SUGBLVWLJSEDNC-CQSZACIVSA-N 356.378 1.567 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)COc2ccc3ccccc3c2)CC1 36392469 MINAQANCZOKQAS-UHFFFAOYSA-N 362.451 1.759 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(=O)n2ccccc2n1 10956160 IHMMTUXPEDIQLV-KZULUSFZSA-N 352.346 1.966 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)CC1 100748460 LKRLJWKRLBKTBE-YQQAZPJKSA-N 358.486 1.986 0 40 FDAB CCO[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1 60066237 FQTHPAFEFRJLHJ-HNNXBMFYSA-N 352.456 1.785 0 40 FDAB CCOc1ccc([C@H](C)N(C)C(=O)Cc2c(C)[nH]c3ncnn3c2=O)cc1 100772094 ZWJROPGZLDQTNR-ZDUSSCGKSA-N 369.425 1.887 0 40 FDAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)NC1CCCC1 46333302 JJYIRAOMFNEORH-HNNXBMFYSA-N 360.410 1.599 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(C3CCCCC3)n2N)C[C@H](C)O1 2639861 BBFTWKNOGCCCIS-RYUDHWBXSA-N 353.492 1.768 0 40 FDAB COc1cc2c(cc1OC)[C@@H](c1c(O)n(C)c(=S)n(C)c1=O)NCC2 20410491 QIDQIIHIQRETDZ-AWEZNQCLSA-N 363.439 1.411 0 40 FDAB biogenic Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1 12029057 SJCZDWNBRAQJIF-ZDUSSCGKSA-N 353.375 1.914 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cc2ccccc2c(=O)[nH]1 60890223 OFHVUFZNULEADJ-IAGOWNOFSA-N 370.405 1.855 0 40 FDAB COC(=O)c1ccc2c(O)nc(CN3CCC(C(=O)OC)CC3)nc2c1 12815727 PEQXNMDVGOFXDB-UHFFFAOYSA-N 359.382 1.507 0 40 FDAB Cc1ccc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)cn1 96005242 BEXONGYDQMWGBZ-QGZVFWFLSA-N 365.499 1.991 0 40 FDAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)O)C1CC1 9218056 MIKZTINPZMYEBF-SNVBAGLBSA-N 361.423 1.488 0 40 FDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccc2c(c1)OCO2 14168854 AYUCBFCJTNMLPR-UHFFFAOYSA-N 353.334 1.548 0 40 FDAB CC(=O)N(C)Cc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6648085 PQFNMRUGZMJFQM-UHFFFAOYSA-N 357.410 1.712 0 40 FDAB Cn1cc(-c2ncc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)s2)cn1 66376563 MAZYPVSWAWOSHY-ZDUSSCGKSA-N 373.482 1.922 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1cccc(F)c1 5861566 IIJVRHYGKLWOKI-BETUJISGSA-N 350.390 1.888 0 40 FDAB Cc1ccc([C@H](OC[C@@H](O)CN(CCO)CCO)c2ccccc2)cc1 6934334 PESGZSYNUJKTHH-LEWJYISDSA-N 359.466 1.749 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccccc3F)c(=O)cc2C1 67318937 MDQKOKUDBAMXJN-UHFFFAOYSA-N 374.372 1.536 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1 7325568 NMVKKVRCWIDEGB-UHFFFAOYSA-N 371.418 1.874 0 40 FDAB C[C@@H](CNC(=O)c1nc(C2CC2)n2ccccc12)CN1CCN(C)CC1 91053855 UYMSMBDYJRDOJE-HNNXBMFYSA-N 355.486 1.825 0 40 FDAB CCCn1nnnc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1 8068840 JWALZSZFXINHLT-UHFFFAOYSA-N 350.375 1.395 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)C4CC4)CC3)n2)cc1 8027088 QSKNYFSDZPTUPS-UHFFFAOYSA-N 367.457 1.560 0 40 FDAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cn(C)nc1C 17073563 IINICNXYFNXOTB-JTQLQIEISA-N 356.308 1.714 0 40 FDAB CN1CN=C2SC3(COC(c4ccc(N(C)C)cc4)OC3)C(=O)N2C1 19928427 APNPHQJEEDHDLF-UHFFFAOYSA-N 362.455 1.329 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)N2CC(F)(F)C2)C1 306125867 DEDPQHNLDODHLK-AWEZNQCLSA-N 363.368 1.321 0 40 FDAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 408705880 PIZBIXKIGLFMAS-UHFFFAOYSA-N 361.423 1.824 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl 28224735 MHPGJOFSOXFPSN-UHFFFAOYSA-N 362.835 1.039 0 40 FDAB O=C1[C@@H](N2CCN(CCn3ccnc3)CC2)CCCN1c1ccccc1 95999703 VAIBABJEAYZIBY-IBGZPJMESA-N 353.470 1.696 0 40 FDAB O=C(COc1cccc(Br)c1)N1CCOC[C@H]1c1ncon1 95981449 HEOXREHPPQUWFI-LBPRGKRZSA-N 368.187 1.811 0 40 FDAB O=C1NC(=O)[C@H](CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)N1 89783424 POCAZWUCYIEWLB-QWHCGFSZSA-N 351.790 1.228 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)N(C)C2CCN(Cc3ccncc3)CC2)CC1 89977274 RHQMDXKFZVKRKJ-GOSISDBHSA-N 373.545 1.530 0 40 FDAB CNC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccsc3)CC2)c1 29157257 OSXQQURBBSCFIZ-UHFFFAOYSA-N 372.494 1.864 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@H]2c2cn(C)cn2)C1=O 306123865 AYXBFIXTFLPWMJ-IFXJQAMLSA-N 372.425 1.118 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@H](CNC(=O)c3ccsc3)C2)cn1 306129887 IPRFQDIBMQIBEH-CQSZACIVSA-N 370.482 1.740 0 40 FDAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 533051167 JWBUWVBCANMIIR-OAHLLOKOSA-N 373.434 1.509 0 40 FDAB O=C(O)[C@@H](Cc1c[nH]cn1)NCc1cnc(CCc2ccccc2)nc1 218761654 FLQPUOJUOHEWFS-QGZVFWFLSA-N 351.410 1.770 0 40 FDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 78269258 ZODHLSVTCICPIV-WMZOPIPTSA-N 371.485 1.136 0 40 FDAB O=C(Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1)c1ccsc1 71001132 NOMROXIIYSVVDP-UHFFFAOYSA-N 354.395 1.868 0 40 FDAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225510487 MLATYMWHFBGDFQ-HNNXBMFYSA-N 368.437 1.588 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 41902358 ZHHCRPTZRQGYMJ-UHFFFAOYSA-N 351.350 1.254 0 40 FDAB O=C(NCc1ncn(Cc2cccc(F)c2)n1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 569561534 XSTHPPRSODWYBW-QBPKDAKJSA-N 369.400 1.560 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 570723645 RZVAYCZEKNKSAK-INIZCTEOSA-N 369.425 1.190 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Br 226686427 NRIVCBNGNFEHPD-UHFFFAOYSA-N 366.233 1.688 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(O)cc1 80331318 RFPNHSWBVNUKDW-CYBMUJFWSA-N 370.413 1.041 0 40 FDAB CSc1nn(CC(N)=O)c2nc3sc4c(c3c(=O)n12)CCCCC4 40287386 IEGYRXXTEONLNZ-UHFFFAOYSA-N 363.468 1.582 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2ccsc2)C[C@]2(CC(=O)N(C)C2)C1 96036092 WWNCILFDSSHJMO-GOSISDBHSA-N 364.515 1.832 0 40 FDAB O=S(=O)(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239694 DCEZTHBEPKSYSA-CQSZACIVSA-N 358.414 1.506 0 40 FDAB O=C(CN1CCN(C(=O)NCc2ccccc2)CC1)N1CCCCCC1 17115653 KJQWZTUQXZWVMP-UHFFFAOYSA-N 358.486 1.916 0 40 FDAB CCN1CCN(C(=O)Cn2nc(-c3ccccc3)c(OC)cc2=O)CC1 96184160 LILZUXGKZBKKRE-UHFFFAOYSA-N 356.426 1.083 0 40 FDAB O=C(C1=CCCCC1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96216297 USLZQBAFFHKWMY-OXQOHEQNSA-N 355.438 1.926 0 40 FDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1cccc(C(=O)O)c1)C2 514289205 JJSPPOIOGKAUDQ-RTBURBONSA-N 373.497 1.346 0 40 FDAB biogenic,in-vitro CCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2 96036213 KROOGUQYXPZLOF-KRWDZBQOSA-N 365.503 1.181 0 40 FDAB C[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)cn2)CCO1 257312029 UMDMWKIVRMUWMZ-IBGZPJMESA-N 355.394 1.523 0 40 FDAB C[C@@H]1CN(c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)C(=O)O1 257230771 GDVXIHNSIYBLEQ-GFCCVEGCSA-N 368.459 1.413 0 40 FDAB Cc1cccn2c(=O)c(C(=O)NCc3ccnc(OC(F)F)c3)cnc12 501421221 AQDHMVDFHXRCPP-UHFFFAOYSA-N 360.320 1.929 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@H]1CCc1cnccn1 257239898 HRHFWKQOZRTBBG-OAHLLOKOSA-N 351.403 1.638 0 40 FDAB CCOC[C@@H]1CN(C(=O)Cc2cccc(OC)n2)C[C@H]1c1cnn(C)c1 585655710 RHBOLMUTQWSOOJ-RDJZCZTQSA-N 358.442 1.645 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccccn3)C2)nc2c1CC(=O)N2C 257330666 XPJSTRRSTGQQPO-FQEVSTJZSA-N 365.437 1.893 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCN(CCc2ccccc2)[C@@H](C(N)=O)C1 257306800 SVYQNELUVSFBAN-GOSISDBHSA-N 370.453 1.075 0 40 FDAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 637791314 ROKYBLBSLXNKHJ-HNNXBMFYSA-N 374.441 1.140 0 40 FDAB Fc1ccc2ncnc(N[C@H]3CCCN(CCN4CCOCC4)C3)c2c1 641718870 CASNIHZYKZLACN-INIZCTEOSA-N 359.449 1.977 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)CCc1ccc(OC)c(Cl)c1 643943610 GBIPTPMYULLEMN-QGZVFWFLSA-N 354.834 1.774 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1Cl 647930185 SRYHBRBKNGVLPL-CYBMUJFWSA-N 370.814 1.718 0 40 FDAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)Cn1cc(-c2ccccc2)c(C)n1 1157036744 HUAANKBOXRWCSW-QGZVFWFLSA-N 367.409 1.482 0 40 FDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cccn2C1 585099152 QHOZIPBUSBBXCV-ZDUSSCGKSA-N 365.430 1.584 0 40 FDAB O=C(N[C@@]1(CO)COc2ccccc2C1)c1ccc(Cn2cncn2)cc1 585124064 DMICGNYMEMKQNH-FQEVSTJZSA-N 364.405 1.422 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)nc1 585097595 NDSVBZLZHBZNJM-MRXNPFEDSA-N 355.442 1.333 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3nccnc3C)C2)c1 585277166 KRXHABAWCXXFKX-IBGZPJMESA-N 357.410 1.376 0 40 FDAB CN(C)CCC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 664523087 YTYSTZVTNSXICD-IRXDYDNUSA-N 361.490 1.413 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H]2C 585098616 ZQWPYSNBGVMQMK-LBPRGKRZSA-N 358.398 1.689 0 40 FDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 585101043 YSALHXUXXUFUSM-MRXNPFEDSA-N 363.433 1.686 0 40 FDAB Cn1nnc2ccc(C(=O)NCc3ccncc3O[C@H]3CCNC3)cc21 685940551 CYQHXGHWQZHBSJ-AWEZNQCLSA-N 352.398 1.034 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccnc1-n1cncn1 58162176 RFNMFIBYOFODFI-UHFFFAOYSA-N 369.410 1.427 0 40 FDAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)[nH]1 12783508 HECPXZLIHVWPIF-UHFFFAOYSA-N 367.496 1.882 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CCOCC3)CC2=O)cc1 12803758 BYHHHZHNIQPQBP-ZBFHGGJFSA-N 374.437 1.392 0 40 FDAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(S(N)(=O)=O)cc1 15763386 IUTXMHOPKANUAM-LBPRGKRZSA-N 358.419 1.987 0 40 FDAB Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2ccncc2)CC1 19289070 ZMGZSGRPHUDAFG-UHFFFAOYSA-N 362.437 1.835 0 40 FDAB Cc1c(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cnn1C 19553197 DUTMQBLZOPIOLT-UHFFFAOYSA-N 362.455 1.547 0 40 FDAB CC(=O)N[C@H]1CN(C)C2(CCN(C(=O)COc3ccc(F)cc3)CC2)C1 19704873 UDSKBEAOWSXFJA-MRXNPFEDSA-N 363.433 1.406 0 40 FDAB O[C@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O 4353277 NVEGGHPETXMRSV-UIQSMRFCSA-N 358.390 1.937 0 40 FDAB biogenic CCc1nc(CNC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)n[nH]1 563341307 DLRIJGNEZJUYKJ-GOSISDBHSA-N 355.398 1.687 0 40 FDAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)C2CC2)C[C@]12Cc1ccccc1C(=O)N2 19082942 WZKMYDZIKXVBDL-HRAATJIYSA-N 369.465 1.494 0 40 FDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]2C[C@@]1(C)O 1848357349 KVTGJPQBNWNNBD-LMVHDODDSA-N 357.454 1.758 0 40 FDAB CN(CC1CN(c2nccn3nc(C4CC4)cc23)C1)S(=O)(=O)C1CC1 1888869971 YVEFCMWVXRSYBS-UHFFFAOYSA-N 361.471 1.467 0 40 FDAB NC(=O)c1cc(OC2CN(C(=O)[C@@H]3CCCc4ccccc43)C2)ccn1 1889149031 FKERRTSGXSIAJQ-QGZVFWFLSA-N 351.406 1.890 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1cc(F)ccc1F)CCO2 2037983781 FVOBDKWHRJKMAY-SFHVURJKSA-N 354.397 1.803 0 40 FDAB O=C(CCn1cccn1)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223422 KONBWTVOJAJGSA-IBGZPJMESA-N 354.458 1.972 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 1203088402 CEGRWIDBLVFNER-IBGZPJMESA-N 368.441 1.574 0 40 FDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1csnn1)CC2 1614928516 FTNJYSBYKJVEQI-INIZCTEOSA-N 351.476 1.087 0 40 FDAB Cn1cnc2c1CCN(C(=O)C1CC(F)(F)C1)[C@@H]2CN1CCOCC1 1614935951 ZOVXITWDCGRJQH-CQSZACIVSA-N 354.401 1.223 0 40 FDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3csnn3)CC2)O1 1614937269 LWPLQNQCPXEDIY-CYBMUJFWSA-N 350.444 1.218 0 40 FDAB Cc1ncc2c(n1)[C@@H]1CN(C(=O)CC3(O)CCC3)C[C@@H]1N(CC1CC1)C2 1565554093 JXOCUWSZFWSMNC-SJORKVTESA-N 356.470 1.610 0 40 FDAB O=C(CCc1ccc[nH]1)N1C[C@H]2CCN(C(=O)c3cnccn3)C[C@@H]2C1 1565547030 DJDBACISBVKDQV-HUUCEWRRSA-N 353.426 1.358 0 40 FDAB CCn1c(Cn2nnc(-c3ccc(C)cc3)n2)nnc1SCC(=O)O 4488005 MPPOIMRPFDEUQE-UHFFFAOYSA-N 359.415 1.485 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccccc2)C1 2055772586 ZCYDQBLWWBBHGN-LJQANCHMSA-N 356.426 1.368 0 40 FDAB CCCNc1nc(OC)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100145077 NVLPYQDDTLPGMX-STQMWFEESA-N 356.430 1.488 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1F 49409386 YZOVJJPDJDHAIZ-UHFFFAOYSA-N 361.358 1.038 0 40 FDAB CCc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CC 806621 YWRQMEUICARAFI-QGZVFWFLSA-N 360.439 1.771 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cccc[n+]1[O-] 40115398 FWFHLYJHNGDCSZ-UHFFFAOYSA-N 364.199 1.759 0 40 FDAB COCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)C1CC1 40145520 VZZCDLQETJPDBG-UHFFFAOYSA-N 356.444 1.705 0 40 FDAB COC(=O)CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 30697335 WWNPDXJLDMREQL-UHFFFAOYSA-N 352.346 1.386 0 40 FDAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 32095492 RXRABFXRWWERFK-QGZVFWFLSA-N 373.388 1.942 0 40 FDAB CCOc1ccccc1N1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 32999412 IMYRJRCVRHYRAO-UHFFFAOYSA-N 374.441 1.064 0 40 FDAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1C 22917768 ADVMRPOAMIERTL-OAHLLOKOSA-N 372.469 1.323 0 40 FDAB NC(=O)Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCC3 12390350 BDKHLWKVHWXDKU-UHFFFAOYSA-N 355.379 1.340 0 40 FDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 23008455 LJMGPUXUKBXYGI-CQSZACIVSA-N 359.455 1.071 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nc[nH]n1 23142431 WAUNEQVYDHOTCI-UHFFFAOYSA-N 363.443 1.551 0 40 FDAB CCOC(=O)COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC 6954752 MWCJAXOLBHYTIB-GDNBJRDFSA-N 374.393 1.403 0 40 FDAB O=C(c1ccc(-n2cccc2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12543451 HMSMZTSQBGEJIO-SFHVURJKSA-N 373.478 1.422 0 40 FDAB CC(C)NC(=O)CN(C)C[C@@H](O)COc1cccc(Br)c1 25234978 WVLDYCVITRLHCG-CYBMUJFWSA-N 359.264 1.645 0 40 FDAB O=C(Cn1ccccc1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 43753199 VVSCAKXEBMLCBL-UHFFFAOYSA-N 367.327 1.413 0 40 FDAB O=C(NCCc1nccs1)N1CCN(C(=O)c2ccsc2)CC1 51337056 JZJRANNXPHONMV-UHFFFAOYSA-N 350.469 1.915 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCOCC2)c1 26969814 NDDAHBAOCDTZMM-AWEZNQCLSA-N 370.496 1.226 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccccn1 48237855 VHCHRHSAAOLKCE-LLVKDONJSA-N 371.418 1.880 0 40 FDAB CCN1C[C@@H](C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1=O 58231965 PSOWMPTZWGGBCI-YPMHNXCESA-N 353.444 1.104 0 40 FDAB COCCNC(=O)NC(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC 12775113 VRCZWTYHQNGDOI-OAHLLOKOSA-N 365.430 1.313 0 40 FDAB CCC(=O)NCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 44915573 JRWCESDPJYLYCU-UHFFFAOYSA-N 370.247 1.681 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccccc1F 36392131 JXXFWTLIQPLCQN-UHFFFAOYSA-N 355.413 1.900 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(CN2CCOCC2)CC1 48324262 YMCQRVCVUGXIEB-SFHVURJKSA-N 371.481 1.610 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCC2)c1 22230025 GOKNXVCKKHYKPM-OAHLLOKOSA-N 352.456 1.779 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(F)cc1)C2=O 2619813 FLVYWBPPHJJNQH-UHFFFAOYSA-N 361.417 1.985 0 40 FDAB C[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 46951105 XUYKHSZGJCPFLR-UKRRQHHQSA-N 356.513 1.548 0 40 FDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 13038294 ISYRUAMKWVIDGR-UHFFFAOYSA-N 353.419 1.937 0 40 FDAB CCOc1ccccc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 5021434 XBUTUIPXELZJJV-UHFFFAOYSA-N 369.381 1.935 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 306136978 QIBHUKAFPNVKBH-WBVHZDCISA-N 370.428 1.573 0 40 FDAB Cc1nc(-c2ccccc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO 67300190 ZILVJBOVZBEXBX-UHFFFAOYSA-N 357.454 1.916 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2OC(=O)c3ccccc32)c1=O 5704423 YVXSYQUIGRJIJC-HNNXBMFYSA-N 366.329 1.500 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 4941540 PYUHQNABRSTMER-UHFFFAOYSA-N 355.379 1.961 0 40 FDAB NC(=O)NCc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 67263505 WYXJOVMIIVHPJS-MRXNPFEDSA-N 366.421 1.842 0 40 FDAB CCCS(=O)(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 19842788 KSRVKVLAIUPPAE-UHFFFAOYSA-N 372.487 1.570 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)nc2)n(C)c1 16206378 GGVNAEGMSPDZSH-UHFFFAOYSA-N 366.443 1.712 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(F)cc1F 8076685 CAPKPAAGWGKEAZ-UHFFFAOYSA-N 371.343 1.975 0 40 FDAB COc1cccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)c1 306124294 BMEUWNOXVLRDER-DFQSSKMNSA-N 367.449 1.967 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 8423921 CLZPFTOHYWXNLT-BUXKBTBVSA-N 372.425 1.485 0 40 FDAB Cc1cc(N2CC3(C2)OCC[C@H]3COCc2cccnc2)n2ncnc2n1 306140748 VDBMNTCYJPUMKN-INIZCTEOSA-N 366.425 1.640 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)CCc2ccc3ccccc3n2)n1 25038901 CAVYQRFNASTZDW-UHFFFAOYSA-N 352.398 1.744 0 40 FDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cc(OC)c2c(c1)OCO2 85413664 WHMFJUHUYOKBRU-XJKSGUPXSA-N 360.318 1.751 0 40 FDAB Cc1cccc(OCCCNC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 29732955 IVCYHJSPKHXEQP-UHFFFAOYSA-N 369.487 1.487 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350961 ZVGYEUXMVCRQME-ZYHUDNBSSA-N 351.476 1.428 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1CCOC1)C2 306125337 CMXRFQJWEJUZGH-DLBZAZTESA-N 359.470 1.558 0 40 FDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710048 MVQQFDSCCRWCKM-UHFFFAOYSA-N 369.377 1.420 0 40 FDAB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)ccc1OCC(=O)O 409006271 IIMVSORDNFGXRZ-XFFZJAGNSA-N 350.396 1.626 0 40 FDAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217500964 IKUIALJEYAOLFU-AWEZNQCLSA-N 368.455 1.832 0 40 FDAB Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)c(C)c1 32508617 XPVIDEJJXJVFJW-UONOGXRCSA-N 367.496 1.442 0 40 FDAB COCCNC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(C)sc21 32616331 DZLAAIXKYGANPB-UHFFFAOYSA-N 364.452 1.653 0 40 FDAB CCCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 72228528 GIDZCSOPMHOSRF-CQSZACIVSA-N 359.426 1.573 0 40 FDAB COCC(=O)N1CCC(c2nccnc2Oc2ccc(C(N)=O)cc2)CC1 72362303 JUEPVFVPJCVLIE-UHFFFAOYSA-N 370.409 1.720 0 40 FDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc3nccnc3c1)CC(=O)N2 36365324 DLNOKGMBURECSL-GFCCVEGCSA-N 373.376 1.681 0 40 FDAB CC(C)CC(=O)NCCn1cc(C(=O)O)c(=O)cc1[C@H](O)c1ccccc1 31160895 YTPQOAKWPUOEEC-LJQANCHMSA-N 372.421 1.791 0 40 FDAB biogenic,in-vitro CCOc1cccc(CNC(=O)CCn2nnc3ccccc3c2=O)c1 48353739 KWNNHZLWKAXHKD-UHFFFAOYSA-N 352.394 1.897 0 40 FDAB O=C([C@H]1COc2ccccc2O1)N1CC(c2nc(-c3ccccn3)no2)C1 49031983 JZMYWZYTNVSGIM-MRXNPFEDSA-N 364.361 1.897 0 40 FDAB COc1ccn2c(C(=O)NC3CCN(c4nccn4C)CC3)cnc2c1 573712899 GGCJKLAGBLNGNV-UHFFFAOYSA-N 354.414 1.475 0 40 FDAB CC(=O)N1CCC(N2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)CC1 85436187 BMNKOYKXYGXNQR-LJQANCHMSA-N 374.460 1.758 0 40 FDAB biogenic,in-vitro CC(=O)N(C[C@H]1CCCN1S(=O)(=O)c1cccc2c1OCC2)C1CC1 578183361 LKYGFWDYNYBYLL-MRXNPFEDSA-N 364.467 1.786 0 40 FDAB COc1ncccc1C(=O)N1CCc2cnn(C)c2[C@H]1COCC1CC1 96044512 BOLCDKYZLHUOGY-MRXNPFEDSA-N 356.426 1.990 0 40 FDAB COc1ccc2c(c1)CCN(C(=O)[C@@H]1CSc3ncc(C)c(=O)n3C1)C2 90609545 ZWVAVTIUGIREBT-HNNXBMFYSA-N 371.462 1.867 0 40 FDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1 96229082 WBJUYFSPNNACQS-INIZCTEOSA-N 357.451 1.489 0 40 FDAB COCCN1CN(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1=O 582348263 YLSMZIDLGBTUIY-UHFFFAOYSA-N 360.414 1.167 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc4c(c2)OCO4)C3=O)no1 96202978 CNXGYRMLRGUCCT-UHFFFAOYSA-N 369.377 1.981 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247830364 LDKBGEPQVFGVBF-OAHLLOKOSA-N 370.457 1.735 0 40 FDAB NC(=O)c1ccc2c(n1)N(C(=O)c1cnc(C3OCCO3)s1)CCC2 585114353 LJRRHMKNINNXBS-UHFFFAOYSA-N 360.395 1.275 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)nc2)[C@H](C(N)=O)C1 257208405 BMASIRPROWLJHH-KRWDZBQOSA-N 354.410 1.048 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccsc2)C1 257269907 MRXRIOPYZSMJEJ-NSHDSACASA-N 353.469 1.970 0 40 FDAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CCC(=O)O 257264787 LWAIXJOOQIMPGT-UHFFFAOYSA-N 372.425 1.284 0 40 FDAB CCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257252115 JTPOQXJQPZEDMH-SFHVURJKSA-N 366.465 1.557 0 40 FDAB COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccnc(N3CCOCC3)n2)c1 627765486 AALPPIAKWCWCJY-RDJZCZTQSA-N 368.437 1.855 0 40 FDAB CN(CN(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 255189475 QBQYJRBCSBZACT-UHFFFAOYSA-N 354.453 1.585 0 40 FDAB Cc1ccccc1N(CCCC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 260743639 NWOCDUANPZHCEF-OAHLLOKOSA-N 354.472 1.836 0 40 FDAB Cc1noc([C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)C[C@@H](C)O2)n1 625480459 VJZHXPLMNNMBFH-QMTHXVAHSA-N 355.391 1.809 0 40 FDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCCCN2)cc1 648019943 HYFXXHWILBHHDO-KRWDZBQOSA-N 367.515 1.663 0 40 FDAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cnc(N(C)C)n1C 657509994 FWCIKKMHWRGKOE-RHSMWYFYSA-N 359.478 1.373 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccnn1[C@H](C)CC(C)C 666676796 AEPIEWAPLUOTHK-FRRDWIJNSA-N 358.464 1.424 0 40 FDAB CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)C1 668292485 ICJCAKBIPGVRDY-HZSPNIEDSA-N 350.419 1.735 0 40 FDAB CC(C)S(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575406407 XNZBMLSTHXNVBL-BFHYXJOUSA-N 358.485 1.163 0 40 FDAB CCCCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O 585290243 PGWOQWJOJAPAMU-AEFFLSMTSA-N 354.878 1.597 0 40 FDAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)CC2 585110671 ZUXPTYHBURFQCT-UHFFFAOYSA-N 366.412 1.729 0 40 FDAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H](C)c2ccncc2OC)C1 585123243 KXHLUAGMWIQDST-OLZOCXBDSA-N 370.475 1.122 0 40 FDAB Cc1cccc(N2CCC(O)(CN(C)[C@@]3(C)CCS(=O)(=O)C3)CC2)c1 585283384 NWZKYHKYXILKDP-SFHVURJKSA-N 366.527 1.835 0 40 FDAB COc1ccccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)OC 96384696 QVTNDWKHCXMMTN-INIZCTEOSA-N 370.471 1.171 0 40 FDAB CN1CCO[C@@H]2CCN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@H]21 516850183 RHJKCNQXKIIQHO-HZPDHXFCSA-N 371.840 1.972 0 40 FDAB CCCN(C(=O)c1cc(C(F)(F)F)cnc1O)[C@@H]1CC(=O)N(C)C1=O 635903222 IYXQFNBKTQGKON-SNVBAGLBSA-N 359.304 1.416 0 40 FDAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC4CC4)nc12)OCO3 12181229 LEDKYSROHZUQDL-UHFFFAOYSA-N 354.366 1.219 0 40 FDAB C[C@H](CN(C)C)NC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12220703 VEMDVYBDOWZISY-CLCXKQKWSA-N 364.490 1.157 0 40 FDAB COc1cccc(CNC(=O)CCc2c(C)nc3nc(N)nn3c2C)c1 12942555 NIBDMPVGNFMXFT-UHFFFAOYSA-N 354.414 1.581 0 40 FDAB O=C(CN1C(=O)CSC1=O)N1CCC[C@H](c2n[nH]c3ncccc23)C1 13266730 WJNXUPPYSNFLQH-JTQLQIEISA-N 359.411 1.359 0 40 FDAB Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1 13613070 HEJQYWGGPXNPDO-INIZCTEOSA-N 367.515 1.752 0 40 FDAB Cc1nc(NC(=O)CSc2nnc(N)s2)nc2c1C(=O)C[C@@H](C)C2 13636202 HZMNYJVJDOXNAB-LURJTMIESA-N 364.456 1.715 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 15613967 VGZJYXSDPIDTBN-UHFFFAOYSA-N 354.815 1.683 0 40 FDAB C[C@@H](NC(=O)c1cccc(F)c1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19458388 OHLJAOFDISQECN-GFCCVEGCSA-N 359.405 1.152 0 40 FDAB Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)cc([C@H]2CCNC2)n1 19739127 VKVATSSIFDKHFP-HNNXBMFYSA-N 352.442 1.219 0 40 FDAB CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741965 AGZSLALYMUHDAA-HNNXBMFYSA-N 359.474 1.699 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 19974099 ZSXUWARRBCJLCN-GFCCVEGCSA-N 370.388 1.863 0 40 FDAB COc1cccc(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)c1 19981432 TYMBZBCEFMWURG-UHFFFAOYSA-N 357.391 1.757 0 40 FDAB c1nc(C2CCOCC2)cc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1888849389 HIFPBSAGQCSVFX-UHFFFAOYSA-N 366.469 1.976 0 40 FDAB COc1ccc(CC(=O)N2CCN(c3ncnc(C)c3F)CC2)cc1OC 1888863725 BJEWINJKOJPFLM-UHFFFAOYSA-N 374.416 1.833 0 40 FDAB Cc1nc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)co1 1888929988 KTRZGNTYWDJQMO-OKILXGFUSA-N 372.450 1.496 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCC(c2ccccc2)=N1 25005424 JLEPZXGMAQLRTH-YVLHZVERSA-N 373.434 1.603 0 40 FDAB Cc1ccccc1/C=C/C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 253475229 QCTYISDIPOMNIK-BQYQJAHWSA-N 374.466 1.655 0 40 FDAB CC(C)N(C)CC(=O)N1CCO[C@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 1565549463 XIFCUIFCIPHWGB-XLIONFOSSA-N 359.470 1.180 0 40 FDAB O=C(Cn1ccccc1=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565554516 TYVRWIFWZCCUMJ-UHFFFAOYSA-N 361.405 1.328 0 40 FDAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCc1ccco1 5398421 HQOAVENCMABZNS-UHFFFAOYSA-N 353.334 1.548 0 40 FDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)s1 8048319 BBDBPCFCLFHJPW-UHFFFAOYSA-N 352.441 1.794 0 40 FDAB O=C(NCc1ccc(F)cc1)c1nnc2n(c1=O)CCN2c1ccccc1 12233558 WKYKDTUHPZULEK-UHFFFAOYSA-N 365.368 1.859 0 40 FDAB COc1ccc(NC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)cc1F 49410913 QLKJVKIRIWSVII-UHFFFAOYSA-N 360.389 1.938 0 40 FDAB CN1C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NN(Cc3ccccc3)[C@@H]2C1=O 100496357 QXNNOGSBWVQXDF-MJGOQNOKSA-N 362.433 1.956 0 40 FDAB Cc1cnc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cn1 40134206 LOBPJOGAMIJXDF-UHFFFAOYSA-N 360.377 1.895 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)s1 40156789 FKRZTGGOIPLCCJ-UHFFFAOYSA-N 354.409 1.743 0 40 FDAB O=C(Cn1cncn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 20994923 RLIABAIBLBRVLY-UHFFFAOYSA-N 354.332 1.807 0 40 FDAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(-n2cnnn2)cc1 32848594 JGMQNJIJPVQVNG-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)N2CCOCC2)c1C 872038 HMWYUBXYDRJHNB-UHFFFAOYSA-N 354.428 1.910 0 40 FDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)N2CCCCC2)c1 932139 NSXWFTMATMSRQI-UHFFFAOYSA-N 363.443 1.784 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 79501890 GJBXPFQDJTWYPB-UHFFFAOYSA-N 362.393 1.764 0 40 FDAB CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 23805380 KTUBWPVCJPXTQF-UHFFFAOYSA-N 354.409 1.997 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCCc3c2cnn3C)c1 24994315 OOUZTDAEGXIBGO-HNNXBMFYSA-N 362.455 1.989 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccnc(N2CCOCC2)c1 25289892 STYFQTXRXQXCGK-UHFFFAOYSA-N 368.393 1.143 0 40 FDAB CC[C@](C)(CNC(=O)Nc1cccc(-c2nnnn2C)c1)N1CCOCC1 43935055 WEVOOHRNFMXIFK-GOSISDBHSA-N 373.461 1.500 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)NC[C@H]1CCCO1 9741345 LLNRHMVELMZDEB-QRWLVFNGSA-N 371.437 1.455 0 40 FDAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O 10110142 CNNWTOJLXHXDHB-HNNXBMFYSA-N 352.346 1.602 0 40 FDAB C[C@@]1(CO)[C@@H](O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 102948733 SOPHJADXFALVLH-BBCDJCGZSA-N 354.487 1.057 0 40 FDAB COc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)cc(Br)c1O 12756070 BUAHTZGJKMMAPX-SSDOTTSWSA-N 358.188 1.987 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1 45276615 GVIZSNWTTPDTAH-LSDHHAIUSA-N 360.410 1.138 0 40 FDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC(C)C)c1ccccc12 2447837 AMFQIZNNZKNCIY-KRWDZBQOSA-N 360.439 1.844 0 40 FDAB Nn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 2436709 VGQPACHGQHYEOS-UHFFFAOYSA-N 351.391 1.733 0 40 FDAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(Cc2csc(C)n2)CC1 84718652 NKRJNVVTLGPNIQ-INIZCTEOSA-N 364.515 1.887 0 40 FDAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCCc1ccccc1 11666353 WGXMRZFYQDQXCX-UHFFFAOYSA-N 373.416 1.917 0 40 FDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCC[C@@H](C)C1 46954865 QHRUMXOEIMZRML-IXDOHACOSA-N 358.486 1.667 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(c2ccccn2)CC1 3417735 CEJREIBIFLXJPE-AWEZNQCLSA-N 354.410 1.960 0 40 FDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 22230045 GHHXISYFEGBSMS-HNNXBMFYSA-N 368.455 1.016 0 40 FDAB CN(Cc1nc2ccccc2s1)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 12914109 GDSNJFVBIWSYPQ-UHFFFAOYSA-N 370.438 1.133 0 40 FDAB CCN1C[C@@H](C(=O)O)C(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 13692470 QRDKWRSKLQHSFK-CYBMUJFWSA-N 363.389 1.218 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 6086297 BMBZXXQDXFQPNM-AWEZNQCLSA-N 374.466 1.859 0 40 FDAB COc1ccccc1CNS(=O)(=O)CCn1cnc2ccccc2c1=O 9384942 KEUZSVMUPHEBDP-UHFFFAOYSA-N 373.434 1.525 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3ccco3)C2=O)cc1 96231713 CPBIQVNCUBMRFJ-INIZCTEOSA-N 371.393 1.458 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)s1 14161693 QZPVBVIUQLFVTH-UHFFFAOYSA-N 351.432 1.540 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 4778685 FRUICLCKDDNIKG-OAHLLOKOSA-N 351.472 1.270 0 40 FDAB Cc1ccccc1NC(=O)C[C@@H]1N=C(NC(=N)Nc2ccccc2)NC1=O 20799035 AVKPXSXYRIQTLV-HNNXBMFYSA-N 364.409 1.814 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)CC1 8055063 SYMHVAYJPMNNFP-LLVKDONJSA-N 367.427 1.205 0 40 FDAB CN(C)C(=O)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8402171 KSZUXDDBEGCHKG-UHFFFAOYSA-N 356.426 1.331 0 40 FDAB O=C(Nc1ccccc1)[C@H]1CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 97133768 SPZJKKCCTBPZAB-OAHLLOKOSA-N 374.418 1.860 0 40 FDAB CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)N(C)C1CCCCC1)CC2 97020683 MSOXWLLJIMUEMR-CVEARBPZSA-N 360.520 1.748 0 40 FDAB Cc1sc(S(N)(=O)=O)cc1NC(=O)NCC(=O)NC1CCCCC1 95945717 PIEVMLNHTUPWPW-UHFFFAOYSA-N 374.488 1.274 0 40 FDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 75106888 QRCCMWMLLYMFNT-UHFFFAOYSA-N 351.428 1.063 0 40 FDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 75104699 FRFCJZPTGFBBRJ-NWDGAFQWSA-N 359.430 1.725 0 40 FDAB CC(C)CN1CCN2CCn3c(C(=O)NCc4cccs4)nnc3[C@H]2C1 306133688 MSUYUVRHXXWEDO-OAHLLOKOSA-N 374.514 1.598 0 40 FDAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(N)=O)cnc4c3cc2CO1 32102908 USLWYJDTMBIQAB-KRWDZBQOSA-N 358.423 1.733 0 40 FDAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCOCC2)c2ccc(F)cc21 36358679 AMIDUWGTRTYQDL-INIZCTEOSA-N 350.346 1.713 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1 33561967 XVFNGGIOZAZFFU-UHFFFAOYSA-N 360.439 1.270 0 40 FDAB Cc1ccc(NC(=O)Cn2nnc3cc4c(cc3c2=O)OCCO4)cc1C 32647383 TYYVQHHSPYFKDS-UHFFFAOYSA-N 366.377 1.818 0 40 FDAB C[C@@H](c1nc2ccccc2n1C(F)F)n1cnc2c1c(=O)n(C)c(=O)n2C 32879652 YHNVYUSLHFAGLH-VIFPVBQESA-N 374.351 1.788 0 40 FDAB Cc1cccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225436411 NITLIARZEJIGAP-UHFFFAOYSA-N 354.457 1.920 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226386481 LHGJBCACLIKDFZ-SQJBMSRPSA-N 365.385 1.848 0 40 FDAB Cc1c(C(=O)NCc2ccc(F)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 49658090 CCMSFWYJLMKKKU-CQSZACIVSA-N 351.403 1.620 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1 45958099 YWWCSKZFPJCRAX-SNVBAGLBSA-N 369.215 1.723 0 40 FDAB C[C@H](C(=O)NC(C)(C)C)[S@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806653 ODHUGLGMTGSEQT-SPSFWMDKSA-N 374.528 1.489 0 40 FDAB O=C(/C=C/c1ccccc1Cl)N1CCN(S(=O)(=O)C2CC2)CC1 44227174 NLCNXNBEMKPYRP-VMPITWQZSA-N 354.859 1.990 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](F)C2)cc1Br 573333313 BDTBKKBAVRNZRC-VIFPVBQESA-N 365.224 1.671 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCc3ccccc32)C1 46798862 CBYOGLXLRACHDH-GOEBONIOSA-N 352.456 1.783 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O)c1ccc(Br)o1 225709859 HKXUFIBIJXJSNP-VNOQCFOKSA-N 365.183 1.884 0 40 FDAB S=C(NCCN1CCOCC1)Nc1nc(Cl)cc(N2CCCC2)n1 225905812 FRPMQBODMGMACM-UHFFFAOYSA-N 370.910 1.349 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1C 223920633 DYFBIYISHPQGAW-UHFFFAOYSA-N 370.412 1.392 0 40 FDAB C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCO1 198298278 CKBWLBOEEVIKPX-GFCCVEGCSA-N 358.485 1.784 0 40 FDAB Cn1c(=O)nc(O)c2nc(/C=C(\O)c3cc4ccccc4o3)c(=O)[nH]c21 585152413 AFJZKWCLJXCLSW-YFHOEESVSA-N 352.306 1.525 0 40 FDAB CCS(=O)(=O)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1 96209347 HRTMGKZKNCZMGJ-CQSZACIVSA-N 350.444 1.276 0 40 FDAB COC(=O)CC1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)CC1 95472928 ATPKDDDVJUUEEE-UHFFFAOYSA-N 359.430 1.842 0 40 FDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 97953336 SYSFLPVIORFJGA-NVXWUHKLSA-N 351.472 1.291 0 40 FDAB Cn1c(C(F)(F)F)nn(CCNC(=O)CSCc2ccccc2)c1=O 90590854 SCRQLUJRXZKMPZ-UHFFFAOYSA-N 374.388 1.650 0 40 FDAB Cc1nc(CN2CCN(C)C3(CCN(C(=O)N(C)C)CC3)C2=O)cs1 96050121 PMFHZLZHLASZHT-UHFFFAOYSA-N 365.503 1.242 0 40 FDAB O=C1CCCCN1C[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1 248002543 RJIAVOAYPGGMIF-CQSZACIVSA-N 356.430 1.122 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@@](CNC(=O)C(F)(F)F)(O3)[C@@H]2C(=O)N1c1ccccc1 245380296 VUKCMKKLFPMOTI-YMEQNVIZSA-N 366.295 1.178 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC2(CC(Nc3cc(C)ncn3)C2)C1 257219989 DJCOFWDRUQYERD-UHFFFAOYSA-N 353.492 1.638 0 40 FDAB CC(=O)Nc1ccn2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2c1 252507462 WMKUKQSBQVPZNH-UHFFFAOYSA-N 364.409 1.650 0 40 FDAB Cc1ncsc1-c1nccnc1[C@H]1CCCN(S(=O)(=O)N(C)C)C1 257301413 RYIYZOAQGIEXKN-LBPRGKRZSA-N 367.500 1.894 0 40 FDAB CO[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@]12CCCO2 257218569 DDPFZCAEDQBDIZ-IEBWSBKVSA-N 361.442 1.853 0 40 FDAB COc1ccc(CC(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)cc1 257314697 UYCJLEHXGPJVSR-LJQANCHMSA-N 356.426 1.175 0 40 FDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccn2)CC1 26537764 XUVSOLHCDFFDDG-CYBMUJFWSA-N 373.844 1.597 0 40 FDAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 260743620 NPXOGMXQTPWTEC-YOEHRIQHSA-N 367.515 1.945 0 40 FDAB C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1120460633 UBHJTTGQOMDEAK-UHFFFAOYSA-N 354.428 1.159 0 40 FDAB Cc1nc2cc(NC(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C)ccc2o1 674169457 AIEDYMDQAHJJBZ-GWCFXTLKSA-N 366.443 1.928 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)o1 1775991615 LEOBZNAIATZWSN-NUEKZKHPSA-N 372.425 1.380 0 40 FDAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)C3CCCCC3)ccc21 585283009 ONNGNKASTHDXLJ-UHFFFAOYSA-N 354.453 1.985 0 40 FDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCOCC1 585112864 WFLOWOPZJREPBU-QGZVFWFLSA-N 356.426 1.587 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635403 KHYZUHZIALKLTC-CYBMUJFWSA-N 370.327 1.754 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 39984855 FTNUWCBPUIBZON-UHFFFAOYSA-N 357.435 1.995 0 40 FDAB Cc1noc(C)c1CCC(=O)N1CCCSC[C@@H]1CN1CCOCC1 85473301 YNKJOKKPYVSTRE-INIZCTEOSA-N 367.515 1.890 0 40 FDAB CNc1ccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1F 636270649 HIOCORNYUDAROQ-LBPRGKRZSA-N 355.377 1.314 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 673808652 ZCDZPOUFKGKLAQ-KRWDZBQOSA-N 366.483 1.225 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@H]3C[C@@H]3C)ccc21 5186305 RKJOLNLWQMGHBV-FZMZJTMJSA-N 351.424 1.781 0 40 FDAB Cn1nc2c(CN3CCC[C@@H](CO)C3)cc(-c3ccccc3)cn2c1=O 12233829 IKCPPBVCEMVZSB-OAHLLOKOSA-N 352.438 1.904 0 40 FDAB COc1ccc(C)cc1CC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 12360957 UTRAIDBFEGWEGD-INIZCTEOSA-N 368.499 1.123 0 40 FDAB Cn1c(=O)c2c(NC(=O)c3cc4ccccc4o3)ccnc2n(C)c1=O 13011037 HIQMZOMONZWFEX-UHFFFAOYSA-N 350.334 1.631 0 40 FDAB COCCN1CC[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2CC1=O 15673838 PZNQBRAICSZJLR-IRXDYDNUSA-N 360.454 1.799 0 40 FDAB biogenic,in-vitro CCc1ccc(N2C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C2=O)cc1 101273615 NWCFXBHTDSKQPG-UONOGXRCSA-N 364.423 1.203 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)C1CC(F)(F)C1)OC2 1565546869 BAQKJSKGYUMTIY-SNVBAGLBSA-N 356.373 1.152 0 40 FDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1565544573 MEBLTRJGLFOVNX-AZUAARDMSA-N 373.497 1.684 0 40 FDAB O=C(NCCc1ccccc1)c1ncn2c1CN(C(=O)CCF)CCC2 1565552850 ARAAPYQTYQGUES-UHFFFAOYSA-N 358.417 1.948 0 40 FDAB COc1ccc(OCC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250872 XUZCOCIDEULXHO-UHFFFAOYSA-N 371.397 1.506 0 40 FDAB Cn1cccc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782047 CNRQXWPUOCWXNI-UHFFFAOYSA-N 355.442 1.379 0 40 FDAB Cn1cc(C(=O)N2CCC23CN(C(=O)Cc2noc4ccccc24)C3)cn1 2055793396 XAFLAZBBWKEATR-UHFFFAOYSA-N 365.393 1.231 0 40 FDAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H](O)c2ccco2)CC1 27204963 ZGGHEWQHNZUJJL-MRXNPFEDSA-N 350.440 1.461 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)cc1 2710725 ZNJGWRSVRCVIIG-QWRGUYRKSA-N 364.423 1.681 0 40 FDAB COc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1O 12222561 RWDAOJJRLKDODE-UHFFFAOYSA-N 355.442 1.932 0 40 FDAB NC(=O)NCC1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 40122775 ZVOPBVSTZIWUNZ-VOTSOKGWSA-N 368.441 1.247 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1 40142528 QLPYVMHOJYQITO-YOEHRIQHSA-N 356.474 1.959 0 40 FDAB C/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20357392 MANMTFDDTYTVBO-JQIJEIRASA-N 367.409 1.415 0 40 FDAB O=C1O[C@@H](c2c(O)[nH]c(=O)n(-c3cccc(F)c3)c2=O)c2ccccc21 101368685 GNENFIUUSVMSTJ-CQSZACIVSA-N 354.293 1.630 0 40 FDAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2nnc3ccccn23)CC1 52686162 XWJYCQFOEYKCJW-HNNXBMFYSA-N 371.441 1.278 0 40 FDAB O=C(CCc1nc(-c2cccs2)no1)NCCCN1CCOCC1 22688282 YUENCDGGMOKBRD-UHFFFAOYSA-N 350.444 1.569 0 40 FDAB CCOC(=O)CSc1cc(CS(C)(=O)=O)nc(-c2ccccn2)n1 3105299 OWZNLQZWUPRUPK-UHFFFAOYSA-N 367.452 1.738 0 40 FDAB COc1cc(CCC(=O)NC(C)(C)c2noc(C(N)=O)n2)cc(OC)c1 79109681 RAULCUIBGBIQBS-UHFFFAOYSA-N 362.386 1.170 0 40 FDAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 4829860 PVQXKJXXSRLAND-NSHDSACASA-N 365.393 1.667 0 40 FDAB Cc1ccc(S(=O)(=O)N(C[C@H]2OC[C@H]3OC(C)(C)O[C@H]23)N=O)cc1 4973238 GEJLNAVCDDORPR-MGPQQGTHSA-N 356.400 1.586 0 40 FDAB CN1CCC[C@@H]1CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984200 RYKPYIDOGUSMPT-NWCRWOLESA-N 356.426 1.979 0 40 FDAB CN(CC(=O)NC[C@H]1Cc2ccccc2O1)S(=O)(=O)c1ccccc1 24928692 AISVMJLTFYYMTK-OAHLLOKOSA-N 360.435 1.427 0 40 FDAB COc1ncc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c(OC)n1 100143425 YUISEHULPVXKQJ-HUUCEWRRSA-N 356.426 1.903 0 40 FDAB Cn1nc(C(=O)NCc2cccnc2)cc1OCC(=O)N1CCCCC1 57355355 UPCXQGOIAXUEQK-UHFFFAOYSA-N 357.414 1.136 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccc(F)cc2)c1 58194804 HZPAUAFXCBOEMP-UHFFFAOYSA-N 367.402 1.267 0 40 FDAB O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccc[nH]c1=O 58163379 LUMXMDZGHYUNHH-UHFFFAOYSA-N 351.359 1.306 0 40 FDAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1OC 12765766 MPLLSICYNHNEEK-OAHLLOKOSA-N 357.410 1.600 0 40 FDAB CCC(CC)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCOCC1 29208120 HCRMAIBXERWDDU-KRWDZBQOSA-N 372.469 1.790 0 40 FDAB CNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11618306 PGXCEWWOCSWCKJ-UHFFFAOYSA-N 366.421 1.989 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC(O)CC1 29695980 UGZQVMOLDRNJSN-UHFFFAOYSA-N 356.470 1.621 0 40 FDAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccncc4)C[C@H]32)cc1 67897227 SPABLPGEORORIN-MOPGFXCFSA-N 353.422 1.702 0 40 FDAB biogenic,in-vitro CN1C[C@@H]2CC[C@@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306123696 AUAINRSAOQYWRQ-HOCLYGCPSA-N 363.483 1.671 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 3546234 GETSNXHOJQBHRM-UHFFFAOYSA-N 355.350 1.551 0 40 FDAB COc1ccc(C(=O)NCCc2nnc3ccccn23)c(OC)c1OC 12989770 OOCHCLJKARYJMO-UHFFFAOYSA-N 356.382 1.728 0 40 FDAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1CC 13057064 PFPDLLUOKNSYAY-INIZCTEOSA-N 372.469 1.717 0 40 FDAB Cc1csc([C@H](C)NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)n1 96000186 SRDTXWDEBSDXIK-LBPRGKRZSA-N 365.480 1.957 0 40 FDAB COc1ccc(-c2csc3nc(CS(N)(=O)=O)[nH]c(=O)c23)cc1 96009360 XFQBSZIKJVLZBT-UHFFFAOYSA-N 351.409 1.449 0 40 FDAB C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 4000254 YQISKTYQZVIPCD-IUCAKERBSA-N 351.790 1.539 0 40 FDAB biogenic CCOc1ccc(N2C(=O)C[C@]3(CC(C(=O)OC)=NN3N=O)C2=O)cc1 5068398 ZERGGHDIQMFQLN-MRXNPFEDSA-N 360.326 1.004 0 40 FDAB COc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)c(OC)c1 13735051 SUMWFAIUJOWBIE-UHFFFAOYSA-N 357.370 1.727 0 40 FDAB CCOc1ccc([C@@H](C)NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 14077141 SDZWONDOEOKGGC-CYBMUJFWSA-N 367.405 1.966 0 40 FDAB Cc1ccc(CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 14134694 ASBBUSBOYMZPDH-UHFFFAOYSA-N 358.442 1.713 0 40 FDAB O=C(N[C@@H](C(=O)NC[C@H]1COCCO1)c1ccccc1)c1ccccc1 65656954 HXHOQXFBVWUKID-ZWKOTPCHSA-N 354.406 1.689 0 40 FDAB CN1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 22935117 FTXXHAOXWNQKNS-UHFFFAOYSA-N 366.314 1.660 0 40 FDAB CC(=O)N1CCC(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)CC1 9454839 YGWKQBJZHBAIEG-UHFFFAOYSA-N 368.455 1.239 0 40 FDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 6908761 YVIWIFQWYPJSMB-DTQAZKPQSA-N 367.409 1.716 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCCO2 7039416 PKKLTPJJZUDOKQ-UHFFFAOYSA-N 359.382 1.651 0 40 FDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1F 69343094 OSAZFYMQSCWNAC-JQWIXIFHSA-N 363.382 1.744 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 8429616 AFFXPKLTGNJANJ-INIZCTEOSA-N 361.419 1.657 0 40 FDAB C[C@@H]1CCc2ccccc2N1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 8720688 MRRKZPFWGHHYQE-CQSZACIVSA-N 373.478 1.792 0 40 FDAB COc1ccc(OC)c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c1 8867285 KHGIMVQRBLGNDF-UHFFFAOYSA-N 371.802 1.803 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)C1 179461179 SBIDAPVJCZCENE-GOEBONIOSA-N 365.499 1.368 0 40 FDAB OC[C@@H]1CCC2(CCOCC2)CN1Cc1nnnn1Cc1ccccc1 528642633 ZSIZHDRLUXKIKN-KRWDZBQOSA-N 357.458 1.475 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1C 78325962 PRBYCYKRSXNXRO-CQSZACIVSA-N 362.451 1.987 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1N1CCCC1 217634070 MVWKGSJDHGTDHF-LBPRGKRZSA-N 354.428 1.442 0 40 FDAB O=C(NCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1cnccn1 72404939 LLFJQRSBOFMFOV-UHFFFAOYSA-N 374.828 1.370 0 40 FDAB CC(C)c1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40286548 JTPXYRMHSBLQGI-KRWDZBQOSA-N 371.422 1.867 0 40 FDAB COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)[nH]c2c1 85875676 AAEYWCVETFKZKW-LBPRGKRZSA-N 352.346 1.974 0 40 FDAB biogenic O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1nc[nH]n1 96232632 QTJPCFWLWKWJBZ-UHFFFAOYSA-N 354.370 1.259 0 40 FDAB CN(C)c1ncc2c(n1)[C@H]1CN(Cc3ccccc3)C[C@H]1S(=O)(=O)C2 96251903 PFPJCTMMTKFNMK-JKSUJKDBSA-N 358.467 1.439 0 40 FDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccn2C)[C@H](C(=O)O)C1 96198756 YCWCCJBFWWJMDM-WBVHZDCISA-N 356.426 1.610 0 40 FDAB O=C1NCCN(C(=O)C(F)(F)C2(O)CCCC2)[C@@H]1c1ccccc1F 585081964 JWZPDXVFMZFMAF-CYBMUJFWSA-N 356.344 1.766 0 40 FDAB Cc1csc(CN2CC3(C2)CN(CC2CC2)[C@@H](C(=O)N(C)C)CO3)n1 248034746 ULUQYEYSEULWFB-OAHLLOKOSA-N 364.515 1.205 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)NC[C@]3(C)CCCO3)nc(C)n2)CC1 257324876 WQOKJLYLYIANSS-FQEVSTJZSA-N 374.485 1.984 0 40 FDAB CNC(=O)C1CCC(NC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 542544536 JFUIUOGPHIVHHT-UHFFFAOYSA-N 373.501 1.650 0 40 FDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]2O1 257289016 PWQOFDSXGZHUHA-HHXXYDBFSA-N 356.426 1.753 0 40 FDAB O=S(=O)(N1CCOCC1)N1CC[C@@H](Cc2cccc3cccnc23)C1 257247252 IYDTUMIWGKGYQQ-HNNXBMFYSA-N 361.467 1.676 0 40 FDAB COc1cccc2c(C)c(C(=O)N3CCN(C(C)C)[C@@H](C(N)=O)C3)[nH]c12 257253452 JYZBOLPWBDGDJP-CQSZACIVSA-N 358.442 1.505 0 40 FDAB C[C@H]1CN(CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@H](C)O1 547858899 PWHWBJBICYWAMJ-HOTGVXAUSA-N 350.459 1.939 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O 32603285 XYQCSTPSQQNGIA-QLJPJBMISA-N 374.393 1.979 0 40 FDAB biogenic NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2Br)C1 643994994 VAGFRIBDBWNIPF-AWEZNQCLSA-N 359.195 1.431 0 40 FDAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2nc[nH]c2C(C)(C)C)C3)n[nH]1 1775958283 OODQIHGZTXRCIJ-LBPRGKRZSA-N 357.462 1.305 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(C)c3C)CC[C@H]21 1775990759 HGSJBAQXIUEFGT-IEBWSBKVSA-N 371.481 1.893 0 40 FDAB O=C1COc2ccc(CN3CCCNC(=O)[C@@H]3Cc3ccccc3)cc2N1 293692182 QUFPVPXSNZHIJZ-SFHVURJKSA-N 365.433 1.951 0 40 FDAB Cc1c(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)nnn1C 607457041 DSYWQINQKBJNPP-UHFFFAOYSA-N 363.421 1.875 0 40 FDAB N[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1c1cccc(F)c1 638342262 MVSABNNLKMNHBG-VBNZEHGJSA-N 359.405 1.021 0 40 FDAB Cc1cc(Cn2nnc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2C)on1 293478103 XECSSKOEFLHNJN-UHFFFAOYSA-N 373.442 1.628 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 575405502 SWKOFENMVIPEIQ-ARFHVFGLSA-N 355.394 1.500 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/CN(C)C)CC2)C[C@@H](O)C1(C)C 585289220 GFFYSQQOICCMGV-FYCOFBDGSA-N 351.491 1.105 0 40 FDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N3CCOCC3)C2)c1 585095344 PGORYLMRQDKDRL-SFHVURJKSA-N 368.437 1.638 0 40 FDAB O=C(C1=NO[C@]2(CCCN(c3cnccn3)C2)C1)N1CC(F)(C2CC2)C1 585101333 YTJROHZJUCSEGV-QGZVFWFLSA-N 359.405 1.552 0 40 FDAB Cc1cccc(C(=O)N2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)c1 585095264 LASMMDAPINKJHK-SFHVURJKSA-N 355.438 1.926 0 40 FDAB O=C(CN1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)N1CCNC1=O 66831508 SUIHBCSLISFUBX-UHFFFAOYSA-N 354.414 1.203 0 40 FDAB CCOc1ccc2nc(NC(=O)CN3CCS(=O)(=O)CC3)sc2c1 32928373 PUUQYBZZFWYJOF-UHFFFAOYSA-N 369.468 1.364 0 40 FDAB CN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)C3CC3)CC2)ncn1 1776009606 LWEGYEASOSLYLJ-UHFFFAOYSA-N 365.503 1.468 0 40 FDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H]1COc2ccccc21 58971349 FAYKCAYZJOLHSP-RMRKRWHISA-N 361.467 1.962 0 40 FDAB Cc1ccc(-c2nnc([C@H](C)N3CCn4c(nn(C)c4=O)C3)o2)cc1C 90679675 NAQMZVONYOWOIQ-ZDUSSCGKSA-N 354.414 1.825 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)NCCc2ccc(F)cc2)c1=O 12146606 KDAGPMXZNUULLH-UHFFFAOYSA-N 356.357 1.584 0 40 FDAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3=NNC(=O)CC3)C2)on1 13225935 UJIDBYINIUAZNW-SNVBAGLBSA-N 374.426 1.474 0 40 FDAB Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cccc(F)c3)cc(O)n2n1 19129795 GLHCONSJMWCLLD-SNVBAGLBSA-N 350.375 1.922 0 40 FDAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(O)n2)cc1 19314378 UCIRXPXVATXTQY-UHFFFAOYSA-N 374.397 1.226 0 40 FDAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 19500375 MRRLWDMPGPPKDE-HNNXBMFYSA-N 372.469 1.186 0 40 FDAB CCOc1c(Cl)cc(CN2CCC[C@@](O)(CC(N)=O)C2)cc1OC 643745312 BPGWXFBJKDQBCI-QGZVFWFLSA-N 356.850 1.950 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)cn1 1565546747 JPWDHNWKZHJIOE-OXJNMPFZSA-N 370.453 1.788 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)n1 1565553584 FCMRLZSUSAQDAE-YESZJQIVSA-N 372.425 1.538 0 40 FDAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NC[C@@H]1CCCO1 11739268 VPVMVSGFVBYTET-NSHDSACASA-N 362.411 1.709 0 40 FDAB Cn1cc(-c2nnc(S)n2-c2ccc(C(=O)NCC3CC3)cc2)nn1 1775968687 LFHVKRGCUBBONQ-UHFFFAOYSA-N 355.427 1.491 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(N2CCCC2)n1 49410886 KCPLRSAVQFJBFN-UHFFFAOYSA-N 370.409 1.562 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN([C@H]2CCOC2)CC1 575616014 LQDRZLFHCQVJHH-SFHVURJKSA-N 363.502 1.610 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCN(c2cnsn2)CC1 585148711 CVZKMTLRERKSDB-UHFFFAOYSA-N 368.469 1.054 0 40 FDAB COc1ccc([C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1F 40033593 RSIQTITTXYYOQR-JTQLQIEISA-N 359.361 1.155 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(Br)s2)CC1 40024457 TZSQJQDYDRTUSJ-UHFFFAOYSA-N 367.290 1.664 0 40 FDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1 40267012 FGVDWCOQQNOWPA-UHFFFAOYSA-N 352.350 1.499 0 40 FDAB COc1cc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc(OC)c1OC 20744914 YWGGPFMBRCCMKX-SNVBAGLBSA-N 361.358 1.134 0 40 FDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCn1nc2ccccn2c1=O 32778028 DUNLYCNJOICIGO-HNNXBMFYSA-N 363.425 1.770 0 40 FDAB Nc1nc(N)nc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 21696783 XCGZPEYJXJQBJS-UHFFFAOYSA-N 369.360 1.207 0 40 FDAB COc1ccccc1N1CCN(CCN2C(=O)[C@H]3CCCCN3C2=O)CC1 52584304 YIBAHIUJRKGNMN-QGZVFWFLSA-N 372.469 1.634 0 40 FDAB NC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 47616343 SYYUGTUTENKKCD-UHFFFAOYSA-N 371.412 1.648 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(C)c(=S)n(C)c1=O 2121332 IUOVJPRYIXFDHG-LLVKDONJSA-N 364.379 1.436 0 40 FDAB biogenic CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 2668958 AYUOOUUEVWCLKN-SGPHBRAGSA-N 350.367 1.989 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-n2cccn2)cc1 23718222 QOLHPEZJEAHQHI-UHFFFAOYSA-N 353.382 1.772 0 40 FDAB C[C@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 2944053 XYPPDQHBNJURHU-QTCMIBMWSA-N 356.503 1.855 0 40 FDAB biogenic CCNc1nc(N2CCCCC2)nc(-n2nnc(C(=O)OCC)c2C)n1 1074277 PTTZWMAPUPTDKB-UHFFFAOYSA-N 360.422 1.360 0 40 FDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(N2CCOCC2)ccn1 24061566 SYXRODZHMZRVHS-GOSISDBHSA-N 366.465 1.923 0 40 FDAB O=C1CN(C(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)CCN1 24241942 YNGFFUIEAGAGCY-AWEZNQCLSA-N 358.467 1.782 0 40 FDAB COC(=O)[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H](N)CC(=O)O 6002236 QSLZIGAHAQCYFC-RHOROAJPSA-N 352.431 1.053 0 40 FDAB CC[C@@H](C)NC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C 8587850 KKCPOFPSHRNMIR-SNVBAGLBSA-N 365.411 1.193 0 40 FDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100642648 LDXMVMBHJUGHRZ-WFGGJUAMSA-N 364.195 1.909 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350963 ZVGYEUXMVCRQME-CMPLNLGQSA-N 351.476 1.428 0 40 FDAB COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 25423258 DXJSGZDSZPUIIL-UHFFFAOYSA-N 366.414 1.819 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 12621695 YPBHNTOKVLZXKB-AWEZNQCLSA-N 367.361 1.517 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CCN1 35292585 DJCMRUAGWRUNDN-INIZCTEOSA-N 366.446 1.863 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2)c1 58048394 QIRCLFFTYRBMDW-UHFFFAOYSA-N 350.371 1.945 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 58155938 PXDRFZOXWXRJDF-OAHLLOKOSA-N 369.421 1.517 0 40 FDAB C[C@@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)NC(N)=O 58209244 PQJCTNXFPIQQFC-SSDOTTSWSA-N 374.348 1.578 0 40 FDAB CC(=O)N1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 84718307 HPQTXFMPGXYQKB-UHFFFAOYSA-N 350.362 1.995 0 40 FDAB CC(C)[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 12750512 XCHNCHVJDHDLRD-AWEZNQCLSA-N 372.450 1.821 0 40 FDAB COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 2269476 QXQJTJOOZBKTIL-UHFFFAOYSA-N 351.428 1.768 0 40 FDAB CCN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 58246569 QLWMBRHCOCOFIW-UHFFFAOYSA-N 368.480 1.806 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21 3476168 HKOAXUOBGACBDG-AWEZNQCLSA-N 352.390 1.937 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 24750561 SHGUWFKIGDMBFM-QGZVFWFLSA-N 354.472 1.524 0 40 FDAB CC1CCN(CCCNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 13032862 DSRNWBYTTRNJHE-UHFFFAOYSA-N 358.435 1.924 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005339 ZRGWWYQUGUUHLS-OAHLLOKOSA-N 368.503 1.504 0 40 FDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5055119 QOCNNZXRBPORFJ-CQSZACIVSA-N 350.718 1.258 0 40 FDAB CC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 6123085 XMOIBIORIPLSHV-UHFFFAOYSA-N 367.423 1.422 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C(=O)OC 4435479 JLHKBSWDOPSEIV-UHFFFAOYSA-N 352.734 1.143 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 95461081 XWMCEGZNCYFLHY-KBPBESRZSA-N 354.476 1.840 0 40 FDAB O=C(NS(=O)(=O)c1ccc(F)c(F)c1)c1cccc2c1OCCO2 65647641 CQDMEDBCXVHVFG-UHFFFAOYSA-N 355.318 1.855 0 40 FDAB CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 14202074 UUCNINGIJJPKOI-PKOBYXMFSA-N 362.470 1.312 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 4682226 LUFIPNBTCAMPPU-UHFFFAOYSA-N 358.460 1.295 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1 6946358 CWADHSJAUQUXBY-INIZCTEOSA-N 362.407 1.715 0 40 FDAB Cn1cc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 95999264 XIDOSKYYUUWNTH-UHFFFAOYSA-N 361.427 1.029 0 40 FDAB Cc1ccc(F)cc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 72054858 NEXHVUKPDSWQDE-ZDUSSCGKSA-N 358.460 1.819 0 40 FDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 96833017 MSSAMKDJHLSIEQ-GOSISDBHSA-N 372.513 1.952 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](c1ccccc1F)c1nccn1C 8704343 KFLQWNFTWMLXSQ-AWEZNQCLSA-N 363.418 1.967 0 40 FDAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NCc1ccc2c(c1)OCO2 8993790 AKKCPHBWMFVFOZ-GFCCVEGCSA-N 362.411 1.793 0 40 FDAB CC(C)NC(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972410 HMTOYSJOSJUMJU-GFCCVEGCSA-N 350.385 1.275 0 40 FDAB Cc1nc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c2cnn(C)c2n1 75110056 UKGHWOZPPLXDBV-UHFFFAOYSA-N 352.398 1.340 0 40 FDAB COc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1OC 29647807 QUOJEQLRQUTIEI-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB COCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 1548348907 VOGUEPGSEWHUOC-UHFFFAOYSA-N 373.453 1.176 0 40 FDAB CC(C)[C@H](C)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 26670644 YEVFCXSLISYBBQ-AWEZNQCLSA-N 367.515 1.502 0 40 FDAB CN(C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 25438422 UZDUORLYPXFLTK-INIZCTEOSA-N 353.488 1.077 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCCC1 36190906 FSXONZBWTYWFKS-UHFFFAOYSA-N 369.462 1.191 0 40 FDAB O=C(O)[C@H](c1ccc(Br)cc1F)N1CCS(=O)CC1 566358419 VNERMINBPDUESY-NSHDSACASA-N 350.209 1.778 0 40 FDAB Cc1nnc2c(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nccn12 225798891 MIWBWXPXNVJQDL-UHFFFAOYSA-N 366.381 1.124 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cc(-c2ccco2)n[nH]1 225805099 LQSUUCYHYUBNJQ-UHFFFAOYSA-N 371.378 1.164 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)Nc2nnc(SC)s2)ccc1OC 223377203 UPYQYBMIVVHHHK-UHFFFAOYSA-N 374.469 1.429 0 40 FDAB O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cnccn1 96296334 JQVMNRJBRFOARF-AWEZNQCLSA-N 353.357 1.808 0 40 FDAB biogenic,in-vitro COC(=O)[C@]1(C(C)C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231642814 LPXSMCWEPXOGPJ-UHQDVWGKSA-N 364.829 1.783 0 40 FDAB COc1ccccc1CN1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 96108312 XHBUMQSLXRWMJZ-XLIONFOSSA-N 359.470 1.949 0 40 FDAB Cc1cnc(CNC(=O)c2ccc3ccc(N4CCN(C)CC4)n3c2)cn1 96267342 AJPFUYAFWZHTGE-UHFFFAOYSA-N 364.453 1.720 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccncc2)C1 96057719 LBACSVFFYAHYDX-USXIJHARSA-N 355.394 1.611 0 40 FDAB CC(C)N1CCN(C)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn12 96268067 VBSOLCNCRTYLFA-MRXNPFEDSA-N 356.474 1.662 0 40 FDAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(CCOC)C3=O)[C@H]2C1 96261528 OWUFMCBZMBJJNL-HLLBOEOZSA-N 371.503 1.104 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248093572 CNPQLLVHIADDDV-KJOVKWNASA-N 369.465 1.715 0 40 FDAB CCN1C(=O)C[C@@H](C(=O)N2CCN(C(C)=O)CC2)[C@@H]1c1ccccc1C 257213480 CHTASZMSUQWUMN-MJGOQNOKSA-N 357.454 1.595 0 40 FDAB O=C(C[S@@](=O)CC(=O)Nc1ccc(C(=O)O)cc1)Nc1ccccc1 526833758 OWROGCGCXLDATQ-RUZDIDTESA-N 360.391 1.711 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccncc3)C2)nc2c1CC(=O)N2C 257217150 CXSSHRPZZSXTCA-FQEVSTJZSA-N 365.437 1.893 0 40 FDAB Cc1cc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccc1-n1cnnn1 591491300 UIPAFWOMSDXWOI-INIZCTEOSA-N 371.445 1.299 0 40 FDAB CCn1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 656633837 IRISUPRXSGAESM-UHFFFAOYSA-N 354.457 1.670 0 40 FDAB Cc1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961637 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RUAITIGIVGSYQO-UHFFFAOYSA-N 352.826 1.126 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)cn23)n(C)c1=O 4370444 HCXOUYMWEJPBFL-UHFFFAOYSA-N 369.356 1.175 0 40 FDAB O=C1N[C@H]2CCCC[C@@H]2N[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 4487599 ROUPVEVEXKIBOB-GBESFXJTSA-N 370.497 1.120 0 40 FDAB Cc1cccn2c(=O)nc(SCC(=O)NCc3ccc(F)cc3)nc12 4504068 QSDMIXBCQNLLQA-UHFFFAOYSA-N 358.398 1.946 0 40 FDAB COc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@H]1CS(=O)(=O)C[C@@H]14 4593510 HGRQOINXIAPQCS-QWRGUYRKSA-N 363.420 1.330 0 40 FDAB CCC(=O)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796148 UHLATUGPZVQUDF-UHFFFAOYSA-N 357.451 1.194 0 40 FDAB Cn1cc(C(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)cn1 1775974783 QADJVKKLIRIFKI-UHFFFAOYSA-N 369.812 1.994 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 43979984 TWFYHSGFNBPUMI-UHFFFAOYSA-N 360.863 1.507 0 40 FDAB C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccsc1 618255186 NBZJKJRJNODGGW-INIZCTEOSA-N 369.464 1.791 0 40 FDAB C[C@@]1(c2cccc(NC(=O)c3cnc4ccccc4n3)c2)NC(=O)NC1=O 40111086 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368.186 1.395 0 40 FDAB Cc1cccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)c1 3482894 BTHRJQUDLVWTRG-UHFFFAOYSA-N 360.366 1.926 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C)n2C)n1 4400344 GGTHQNYZCPXASR-UHFFFAOYSA-N 355.445 1.416 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)ccc1OC 10008794 NMLONDYHJWKNKN-UHFFFAOYSA-N 364.423 1.542 0 40 FDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 56501705 AMWGFFZMERJPOJ-ZDUSSCGKSA-N 355.394 1.919 0 40 FDAB CCCn1nc(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)ccc1=O 57277848 ATIHBDQSCDEFRO-MRXNPFEDSA-N 356.426 1.603 0 40 FDAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(N)(=O)=O 29651942 CFCUUORRQBCRKR-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCNC(=O)Cc2cccc(F)c2)C1 58186211 LUZQXANIYJBDDH-ZIAGYGMSSA-N 371.478 1.297 0 40 FDAB CSc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 58195056 KKPMWHLSSUWYPS-OAHLLOKOSA-N 370.496 1.420 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)OCc1nc(N)nc(Nc2ccccc2)n1 10200191 YXKCBFXHHDLKLJ-UHFFFAOYSA-N 367.413 1.834 0 40 FDAB CCOC(=O)c1sc(NC(=O)Cn2nnc3ccccc3c2=O)cc1C 24787999 JBDOQEAVXMIRLE-UHFFFAOYSA-N 372.406 1.977 0 40 FDAB O=C(c1cncnc1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108534756 WXDYLKHSFMKUML-OAHLLOKOSA-N 354.414 1.533 0 40 FDAB Cc1noc(-c2ccc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2)n1 29198703 JQXMZABWCJOVMP-AWEZNQCLSA-N 364.427 1.199 0 40 FDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 13042449 QOOOUNUNOQHCHQ-CYBMUJFWSA-N 367.471 1.572 0 40 FDAB O=C(NCc1ccco1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71286101 HPHIHZHRUARFDA-UHFFFAOYSA-N 366.333 1.950 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 13254834 KYJGWJJBPQMDCH-UONOGXRCSA-N 366.439 1.851 0 40 FDAB COc1ccc(-c2nc(CC(=O)O[C@H](C)C(N)=O)cs2)cc1OC 6007006 OONQYAWJUGHUMG-SECBINFHSA-N 350.396 1.787 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)noc3C)CC2)cc1 5172259 JASOGSVYQULSPW-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB C[C@@]1(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CCS(=O)(=O)C1 39983190 GNXVOQJPYKYMPL-MRXNPFEDSA-N 370.858 1.774 0 40 FDAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 4387432 ZHZZHLJNUHBUET-UHFFFAOYSA-N 360.844 1.466 0 40 FDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 6393096 FZLOLLCUOABLFS-SFHVURJKSA-N 361.398 1.140 0 40 FDAB Cc1cc(Br)oc1C(=O)NCCN1CCCS1(=O)=O 65575364 DEGHBQDAZRMKOD-UHFFFAOYSA-N 351.222 1.116 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccc2c(c1)OCO2 14168651 XJUJNDYBMOFMPT-UHFFFAOYSA-N 351.362 1.553 0 40 FDAB Cc1c(C)n(Cc2ccco2)c2ncn(CCN3CCOCC3)c(=N)c12 6670167 DHVOVQDWONVZCL-UHFFFAOYSA-N 355.442 1.908 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCO2)c1 6934063 DKZVXGCQSKEKGM-GFCCVEGCSA-N 358.435 1.765 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2O1 7253241 UAXNGYPAXPUXIM-SFHVURJKSA-N 367.405 1.841 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)c2ccc[nH]2)nc1N 7735999 YBTOAYLAPVJLDM-UHFFFAOYSA-N 364.383 1.082 0 40 FDAB NS(=O)(=O)c1cccnc1NCC1(CN2CCOCC2)CCCCC1 81033838 FUKJGAPKZXYGHP-UHFFFAOYSA-N 368.503 1.424 0 40 FDAB COC(=O)CCc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)o1 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STJUZRLQBCPNDH-LBPRGKRZSA-N 351.366 1.722 0 40 FDAB C[C@@H]1CN(CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@@H](C)O1 329426483 JCYNQABZLBTIKI-HUUCEWRRSA-N 350.463 1.151 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)NCC2CCCCC2)Oc2ccccc21 224390363 ICVCTMLWJNPGOB-INIZCTEOSA-N 352.456 1.910 0 40 FDAB COC(=O)COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OC 95476534 TXOUBUWQRNBNLR-LBPRGKRZSA-N 373.361 1.685 0 40 FDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 514290378 ZLQPEIYCXGSPAM-PBHICJAKSA-N 353.378 1.528 0 40 FDAB biogenic,in-vitro C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)C[C@]2(CCO[C@@H]2C)O1 579553413 YSVUGDAOVFKVSX-RULNRJAQSA-N 360.336 2.296 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)NC3CC3)C[C@H]2c2ccccc2)C1=O 96201891 UUFFKPNNPWGNEA-FXAWDEMLSA-N 357.454 1.823 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCn2nnc(COCC3CC3)c2C1 96255979 NAUDLMFDHSGVHU-UHFFFAOYSA-N 366.418 1.548 0 40 FDAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)s1 96056564 MNMCYCGDDPFHBJ-QZTJIDSGSA-N 363.527 1.954 0 40 FDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)C1CCOCC1 581066812 KACMCAWESOIVAP-INIZCTEOSA-N 353.440 1.581 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 96226141 IAJXGOQULYHSQL-ACJLOTCBSA-N 358.398 1.112 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H](O)Cn3ccccc3=O)c2O1 96124314 XZNCRFJSEAOHFP-OAHLLOKOSA-N 372.421 1.118 0 40 FDAB Cc1nccc([C@@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1 257307162 SXLQDAWQKXNNSC-INIZCTEOSA-N 350.382 1.579 0 40 FDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccc(CNC(C)=O)cn1 257341563 ZKXCUUGYDAKZQJ-INIZCTEOSA-N 354.476 1.441 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccccc1OC 257266485 MDFLMNPRTDETTI-APWZRJJASA-N 359.470 1.769 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 257321317 WBCRMEFGKUGPEF-LJQANCHMSA-N 374.416 1.736 0 40 FDAB Cc1cc2cc(C(=O)N3CC[C@@](O)(CN4CCN(C)CC4)C3)ccc2o1 257240744 HUZLPTBTWDRSNB-HXUWFJFHSA-N 357.454 1.566 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OC)cc1Br 643764456 YJSXSVZYGMIAFZ-OAHLLOKOSA-N 357.248 1.924 0 40 FDAB O=C1NC(=O)[C@]2(CCC[C@@H]2CNC(=O)c2occc2Br)N1 674362684 ZEZCMRHGUBZHFN-FUXBKTLASA-N 356.176 1.150 0 40 FDAB C[C@@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccco4)C3)c2)NC(=O)NC1=O 676169090 PYLMAVQXHHKVLK-BEFAXECRSA-N 369.377 1.548 0 40 FDAB Cc1cc(C)n(CCNC(=O)c2coc(NC(=O)c3cc(C)on3)n2)n1 90582940 YOZRLZIUYVBVAI-UHFFFAOYSA-N 358.358 1.467 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122129 WHXXEZGUWINQQU-UHFFFAOYSA-N 373.427 1.715 0 40 FDAB O=C1CC[C@@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)[C@H](O)CC3=O 575449030 IBJQWUOEZZLWJA-RRHAMDBCSA-N 352.342 1.973 0 40 FDAB in-vitro Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)cc1 585277487 MHVPXVGTGILVBW-HXUWFJFHSA-N 357.454 1.710 0 40 FDAB CO[C@@H]1COC[C@@H](CNCc2c[nH]nc2-c2ccc(Cl)cc2)[C@@H]1O 585285433 CWKIXYDATSPOIO-UNEWFSDZSA-N 351.834 1.842 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 585112681 VEKMBLXXBGOICT-INIZCTEOSA-N 364.471 1.388 0 40 FDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)NC1CC1 1775963720 ADWLORBNQHKBOW-HNNXBMFYSA-N 369.425 1.937 0 40 FDAB biogenic,in-vitro CN(C)c1c(Cl)cccc1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 58226587 SXMNNZCENVJARH-CMDGGOBGSA-N 362.817 1.455 0 40 FDAB CN1CCN(c2ccc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)nc2)CC1 76959188 CZWSBGKSTUFOEO-KRWDZBQOSA-N 356.401 1.915 0 40 FDAB Cc1cc(N2C[C@H]3CN(c4nc(C)nc5c4cnn5C)C[C@@H]3C2)ncn1 585415245 GFGFVRMKTDTQHF-KBPBESRZSA-N 350.430 1.343 0 40 FDAB CCc1nn(CC(=O)N2CCOCC2)c(=O)c2cc3sc(C)cc3n12 12115384 MGCUWXUUQVSESI-UHFFFAOYSA-N 360.439 1.440 0 40 FDAB NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2CCc1ccccc1 12145952 YSJZVUVEGYOJRJ-UHFFFAOYSA-N 360.377 1.523 0 40 FDAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CNS(C)(=O)=O)sc1C 12228359 CVJWJBHDHIDALA-GFCCVEGCSA-N 373.525 1.771 0 40 FDAB O=C1CCC(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)=NN1 14122128 YLAXSBDQCROERR-UHFFFAOYSA-N 352.398 1.876 0 40 FDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 17074993 JDRNIXRYTRZGKC-FXUDXRNXSA-N 364.829 1.867 0 40 FDAB O=C1CCCN1c1cccc(NC(=S)NCCCN2CCOCC2)c1 18167981 GAXFGKADOZXMNS-UHFFFAOYSA-N 362.499 1.822 0 40 FDAB COCCNc1nc([C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[nH]1 19235578 QTAYIFNQSCUGTK-AWEZNQCLSA-N 356.426 1.966 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 165684424 LMZLGPXNDFXKGG-MWDDYTRKSA-N 356.378 1.199 0 40 FDAB CCOc1ccccc1OCCN1CCC[C@](O)(CC(=O)N(C)C)C1 643810438 CEHSRFDWQIBEML-IBGZPJMESA-N 350.459 1.769 0 40 FDAB O=C(CCNC(=O)c1ccco1)NCC1(N2CCOCC2)CCCCC1 12791542 ASYKTMIZZNBQFO-UHFFFAOYSA-N 363.458 1.551 0 40 FDAB CCn1cnc2c(N3CCN(c4ncnc5c4CCCC5)CC3)ncnc21 1888897692 IOEPJVKPVDRPKG-UHFFFAOYSA-N 364.457 1.842 0 40 FDAB Cc1cc(C)cc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)c1 2055731813 ZPUBWZVLQZHYBK-HNNXBMFYSA-N 363.483 1.988 0 40 FDAB O=S(=O)(c1cccnc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38488287 ICXIQTIWMONOQM-UHFFFAOYSA-N 357.439 1.464 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)c1 1632861792 VAHOVJLSOQZRMD-LBPRGKRZSA-N 355.398 1.963 0 40 FDAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226860259 SPJOSRYHNFULCL-UHFFFAOYSA-N 374.374 1.548 0 40 FDAB CC(C)c1ccc(NC(=O)CCNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32073394 ANAHZMVROAXKBX-HNNXBMFYSA-N 367.471 1.625 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N1CCN(C)CC1 101658914 SLDZWTJPSODZNF-AWEZNQCLSA-N 351.882 1.020 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1 32774519 UHTMQWMASKCOQH-OLZOCXBDSA-N 370.471 1.508 0 40 FDAB NC(=O)C1(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 32913456 FVPDRCBBDVVPHQ-UHFFFAOYSA-N 367.254 1.554 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)C1 33005332 MKLJYKIOGLTMOH-DZGCQCFKSA-N 350.415 1.836 0 40 FDAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 54146643 NQLIFSVLQIEXJD-QGZVFWFLSA-N 367.515 1.610 0 40 FDAB Cn1nccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc3nccnc3c2)C1 12408613 YFVMLGITOMWAFV-MRXNPFEDSA-N 356.411 1.474 0 40 FDAB CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ncccn1)C(F)(F)F 3103586 YQRUGDNBDOIHAB-CYBMUJFWSA-N 358.276 1.733 0 40 FDAB CCOC(=O)COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1OCC 2488657 YXLYRWBDRGRGSP-ABAIWWIYSA-N 355.412 1.815 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1nc(-c2ccccc2)no1 23718962 YANAGUPQMNAZKT-UHFFFAOYSA-N 370.365 1.644 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCNC(=O)NC2CCCCC2)CC1 24358827 XAQLVTNHBJIUMY-UHFFFAOYSA-N 353.463 1.810 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 7975702 MBEFKUDSSJXSDD-LLVKDONJSA-N 360.863 1.714 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1 25007533 SLESOCWGDOVYRV-UHFFFAOYSA-N 369.418 1.710 0 40 FDAB COc1cc(OC)cc(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c1 62026733 XASZQMYBTFYEKZ-UHFFFAOYSA-N 369.377 1.137 0 40 FDAB COc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cc1OC[C@H]1CCCO1 48152062 YHKJZTLFPYPPRG-DGCLKSJQSA-N 357.428 1.625 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12753701 ZSPWUITYZSSMEH-UHFFFAOYSA-N 366.377 1.078 0 40 FDAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58209073 ISQWNAWUHMXXGP-KRWDZBQOSA-N 364.377 1.075 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 55949280 AUYKZGGXUFWDKE-UHFFFAOYSA-N 362.451 1.852 0 40 FDAB CCNC(=O)NC(=O)CSc1nnc2c3ccccc3n(CC)c2n1 3383970 PMIDTWMNUIIBTD-UHFFFAOYSA-N 358.427 1.937 0 40 FDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21 2230300 JVGLGVWYHYLPKB-HNNXBMFYSA-N 370.409 1.207 0 40 FDAB Cc1c(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)cnn1C 110008954 RUUNFWLQNZEWGE-UHFFFAOYSA-N 372.454 1.798 0 40 FDAB O=C(CSc1cccc[n+]1[O-])OCCN1C(=O)c2ccccc2C1=O 3342145 ZEWXHTUSHUNJEQ-UHFFFAOYSA-N 358.375 1.252 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCc3ccccc32)cc1 3396168 WXDYGILABJCQAQ-UHFFFAOYSA-N 359.451 1.055 0 40 FDAB CC(=O)NCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 3343560 VPWCBLAHBALOGF-GOSISDBHSA-N 353.422 1.280 0 40 FDAB CC(C)[C@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)C(=O)O 2365450 FTPHUTZICKWCEF-INIZCTEOSA-N 360.414 1.577 0 40 FDAB CCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1C 100737808 MAFXIWIQQRTKGL-QZTJIDSGSA-N 371.485 1.635 0 40 FDAB CCN(Cc1nonc1C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614640 DZFILRTXEOMPLL-UHFFFAOYSA-N 364.427 1.716 0 40 FDAB O=C(CCn1ccc2ccccc21)N1CCN(CC(=O)N2CCCC2)CC1 48343243 BPKCXFZXSUFCRU-UHFFFAOYSA-N 368.481 1.798 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCSC2=O)c1 12898953 ILCZWTMTARQLPS-UHFFFAOYSA-N 371.484 1.824 0 40 FDAB COCCN1CNC2=N[C@@H](c3cccnc3)n3c(nc4ccccc43)N2C1 20638633 WSPUVOICDXGJEM-QGZVFWFLSA-N 363.425 1.621 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1 89904581 KRBXUQNHRDMXHV-ABAIWWIYSA-N 372.487 1.845 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 75657483 ZTULWWXIBOWKGV-CYBMUJFWSA-N 355.460 1.451 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCn3cccc3[C@H]1C)C2=O 12871989 PKJMGGUSMNASIB-SHYRYGCCSA-N 373.457 1.397 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 48467288 GBJKLPDFLWOLMI-IZHWHUGBSA-N 352.456 1.916 0 40 FDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCOCC1 3556145 YTGWCDZUTJYVDZ-UHFFFAOYSA-N 355.390 1.325 0 40 FDAB CS(=O)(=O)Nc1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1F 12919544 XPIIFVJWYOIXMF-OAHLLOKOSA-N 366.370 1.976 0 40 FDAB Cc1ccc(NCC(=O)NC2CC2)cc1S(=O)(=O)N1CCCCC1 9338536 JIJUVWGANNVDPN-UHFFFAOYSA-N 351.472 1.860 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 4495953 MYBKWXAUFKLCAY-LBPRGKRZSA-N 373.796 1.968 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)c1 6552626 OAQYLWFDFGZTOI-UHFFFAOYSA-N 366.373 1.830 0 40 FDAB CC(C)(C)C(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@H]1CCCO1 6906091 FJYJRHZAKRGXRX-MRVPVSSYSA-N 351.428 1.741 0 40 FDAB CN(CC(=O)N1CCOCC1)S(=O)(=O)c1c(Cl)cccc1Cl 7307057 UQRRMRTUBAAINP-UHFFFAOYSA-N 367.254 1.473 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(SC)cc1 16577646 FMQSMLOXIIOWID-BSXFFOKHSA-N 366.435 1.794 0 40 FDAB CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)CC(=O)NC(C)C 16563457 HSMQMGXPZZWHFC-UHFFFAOYSA-N 350.419 1.190 0 40 FDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@H]1CCCO1 8231444 NYOQSSLAAJMHDB-LLVKDONJSA-N 363.395 1.853 0 40 FDAB O=C(NCCc1cccs1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 8328353 ZIYRMBGUPITWII-UHFFFAOYSA-N 353.469 1.833 0 40 FDAB COc1ccc([C@@H](CNC(=O)C2=NNC(=O)CC2)N2CCCCC2)cc1 8428233 VICUITWCPICJTH-QGZVFWFLSA-N 358.442 1.604 0 40 FDAB CC(=O)Nc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 96765826 IJNMIAQNRMDEBC-IPPJXQLGSA-N 354.387 1.480 0 40 FDAB CCS(=O)(=O)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1 95964867 XCNHZLDNDJVVKC-UHFFFAOYSA-N 370.862 1.857 0 40 FDAB CCCCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)NC)CC3)cc2C1=O 76094609 FXTMLCFWDGGODE-UHFFFAOYSA-N 372.425 1.180 0 40 FDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 20798824 RFINZGACRDPZMF-CQSZACIVSA-N 367.352 1.371 0 40 FDAB O=c1c(=O)n2c(nn1C1CCCC1)CO[C@@]1(CCN(Cc3ccco3)C1)C2 306128882 HNQDHZPGHFYDQR-LJQANCHMSA-N 372.425 1.288 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1N1CCCCC1 217634361 LXYZXSSINBTDMR-CYBMUJFWSA-N 368.455 1.832 0 40 FDAB Cc1cn2nnc(C(=O)N[C@H](CN(C)C)c3ccc(Cl)cc3)c2c(O)n1 1568116661 FIXLSDXZQXAXMF-CYBMUJFWSA-N 374.832 1.824 0 40 FDAB Cc1cc2c(cnc3nc(-c4ccncc4)nn32)c(=O)n1NC(=O)C(C)C 38784062 RWKGJQWYXVZFMQ-UHFFFAOYSA-N 363.381 1.536 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccccn2)C[C@@H](Cc2ccccn2)C1 72353544 IQALWIWSCMRZGL-OAHLLOKOSA-N 374.466 1.053 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2[C@@H](C)C[C@@H]2C)CC1 527472276 WZBLYIOOYSWFCH-QWRGUYRKSA-N 354.476 1.437 0 40 FDAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 226851468 XZNXYOBEBKCPKU-CQSZACIVSA-N 356.426 1.672 0 40 FDAB CN(C)C(=O)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 96051679 VCWCPSYLHUBABA-OAHLLOKOSA-N 351.472 1.891 0 40 FDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)Cc3ccccc3)C1)COC2 96243994 KIWDYWLODGOYML-HXUWFJFHSA-N 352.438 1.786 0 40 FDAB C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nnc2ccccn12 95480224 YRLWDYYFZFDWIK-GFCCVEGCSA-N 352.398 1.042 0 40 FDAB CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)O2)CC1 96057345 WIZMIRAJYJBAOE-QRVBRYPASA-N 361.461 1.722 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2cscn2)C1 257232526 GLFUZSSAKRBJJN-SNVBAGLBSA-N 354.457 1.365 0 40 FDAB Cc1ccc2c(CC(=O)N3CC[C@](O)(CN4CCOCC4)C3)coc2c1 257211278 BYGJUSNBOAFDPS-FQEVSTJZSA-N 358.438 1.579 0 40 FDAB COc1ccc(C2(O)CCN(CCn3cccc(C(=O)O)c3=O)CC2)cc1 257273520 NGYBHEJJGSJJLO-UHFFFAOYSA-N 372.421 1.539 0 40 FDAB Cc1cc(-c2cncnc2)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 257316059 VDYJYFUBVKKTNP-MRXNPFEDSA-N 363.443 1.027 0 40 FDAB Cc1oc2c(c1C(=O)NC[C@@]1(O)CCN(c3cnccn3)C1)CCCC2 257336818 YQEAURBOUXTUOB-IBGZPJMESA-N 356.426 1.628 0 40 FDAB O=S(=O)(CCc1ccc(F)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 656957538 VAQKFKTUJKECGU-IRXDYDNUSA-N 356.463 1.229 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 36408083 HTVDMLDHTTWATO-GAGVYUBLSA-N 363.410 1.699 0 40 FDAB biogenic Cc1cccc(C(=O)N2CC3(C2)CN(C)[C@H](C(=O)NC2CCCC2)CO3)c1 575404798 QASHTGWQDIMNAN-SFHVURJKSA-N 371.481 1.579 0 40 FDAB COCC1(C2CCC2)CN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 664834267 VREIFBHXDNVQHO-UKRRQHHQSA-N 373.519 1.162 0 40 FDAB COc1ccccc1CN1Cc2ncn(C)c2C[C@H]1CN1CCOCC1 585094973 XTECTYLNERRUKE-KRWDZBQOSA-N 356.470 1.688 0 40 FDAB O=C(CO[C@H]1CCOC2(C1)CN(C(=O)c1cccc(O)c1)C2)N1CCCC1 585093700 UCBDKAFNNFVXQJ-KRWDZBQOSA-N 374.437 1.405 0 40 FDAB O=S(=O)(c1ccnn1CCc1ccccc1)N1CCCn2ncnc21 585114188 QIHARJFUDJYKOY-UHFFFAOYSA-N 358.427 1.316 0 40 FDAB CCCOc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 72294582 PMCHHXSBFLUUSS-GOSISDBHSA-N 361.486 1.498 0 40 FDAB Cn1c(N2CCC(c3ccc4cccnc4n3)CC2)cc(=O)n(C)c1=O 664076509 HEGFZQPDXCRZJV-UHFFFAOYSA-N 351.410 1.411 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153254 CFZLKLWLIRJTQW-LJQANCHMSA-N 372.400 1.447 0 40 FDAB CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772595034 RBZOPPSNGYBHDG-ATZDWAIDSA-N 363.477 1.532 0 40 FDAB COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c(c1=O)O[C@@H](C)C2 1772591621 IUHGCYSFZSKKDN-VIFPVBQESA-N 374.345 1.998 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12156979 CTYQKOBKQRNJGE-PKOBYXMFSA-N 363.417 1.774 0 40 FDAB O=C(CN1CCCC1=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253837 APWMZLMWRGNDEB-UHFFFAOYSA-N 356.426 1.012 0 40 FDAB COC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12465150 YYLAWYONKVIEQE-UHFFFAOYSA-N 355.412 1.112 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)no1 19452736 OIWLZZWQYARDRE-UHFFFAOYSA-N 357.414 1.623 0 40 FDAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2C 19741170 DLNMTFRFUWBFCJ-HNNXBMFYSA-N 368.441 1.644 0 40 FDAB COc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1I 8161689 ZENSGBRCURFWBG-YWEYNIOJSA-N 371.134 1.402 0 40 FDAB COC(=O)c1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)n(C)n1 408555091 VLKYPVPHFYKDPX-UHFFFAOYSA-N 350.327 1.452 0 40 FDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C 18820616 NECDTKXOEGIWER-IOASZLSFSA-N 362.426 1.648 0 40 FDAB COc1ncccc1C(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888856739 JFKSHWQVFPDSLV-GJZGRUSLSA-N 365.437 1.966 0 40 FDAB O=C1[C@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2C(=O)N1Cc1ccccc1 1888863599 YLDZLSRYGCXSCK-GJZGRUSLSA-N 352.394 1.564 0 40 FDAB Cc1nc2ncnn2c(N2CC[C@@H](COc3cc4c(nn3)CCC4)C2)c1C 1888903738 JYOWKSKSLXWEHO-CQSZACIVSA-N 365.441 1.925 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCn2c(CNc3cccnc3)nnc2C1 1565554305 XAPLGEKZDNLFEY-UHFFFAOYSA-N 365.397 1.807 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)ncnc21 13532598 VXGZSRWKYJEKHP-UHFFFAOYSA-N 373.420 1.874 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C2CC(F)(F)C2)CC1 2055781468 JQPARCMNUDCAML-UHFFFAOYSA-N 370.400 1.009 0 40 FDAB CCOC(=O)c1ccc(NC(=S)NCCCN2CCN(C)CC2)cc1 20168986 OPNOAETZXJHYCP-UHFFFAOYSA-N 364.515 1.787 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Oc4cccnn4)C3)nc2n1 225456973 OLGWUYGDVHZZQD-ZDUSSCGKSA-N 353.386 1.215 0 40 FDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)NCC(F)(F)F)CC1 49522738 DWUTYXUKTRPRIM-UHFFFAOYSA-N 366.384 1.001 0 40 FDAB CN1c2ccccc2N(C2CCN(C(=O)[C@@H]3CCOC3)CC2)S1(=O)=O 390832506 ZTZRGAXVTJHUKD-CYBMUJFWSA-N 365.455 1.215 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2cccn2C)c(C)c1 77101910 WWEGWFLBPPDRNP-HNNXBMFYSA-N 365.455 1.694 0 40 FDAB Cc1cc(NC(=O)CCn2ncc3cn(-c4ccccc4)nc3c2=O)no1 51407136 RACTZYPMKYMPMY-UHFFFAOYSA-N 364.365 1.907 0 40 FDAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(NS(C)(=O)=O)CC1 32865292 XQTXUTJODUOROH-ZIAGYGMSSA-N 365.499 1.366 0 40 FDAB COc1cccc(Cn2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cn2)c1 102608686 PBQSOYUQUYWTCE-QBPKDAKJSA-N 353.378 1.607 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(C)n1 32900119 MDSLWIUJQGCCPG-AWEZNQCLSA-N 361.427 1.122 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCC1 806203 NHEDVNJDWQLHGL-UHFFFAOYSA-N 352.456 1.688 0 40 FDAB Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)c3ccc(Cl)cc3Cl)c21 623441 LIGVBJZZFCLOKJ-UHFFFAOYSA-N 353.165 1.613 0 40 FDAB CNC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)NC)cc2)cc1 1699817 BZQFQHCCQWJDFK-UHFFFAOYSA-N 364.379 1.956 0 40 FDAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(C(F)(F)F)n[nH]1 79479241 BTLGMJGPHPUXHQ-UHFFFAOYSA-N 358.328 1.789 0 40 FDAB C[C@@H]1CCCCN1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 2628615 GSQCWOJAXXJTRP-OAHLLOKOSA-N 351.472 1.987 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CC2=O)c(OC)c1 71288292 CURHBJMDKWQRQF-AWEZNQCLSA-N 357.410 1.675 0 40 FDAB CCOC(=O)Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 4911586 BFVUWAJLBJEQJC-UHFFFAOYSA-N 371.397 1.049 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(c3ccccc3F)=NO2)CC1 6738518 JORRUZXNBWSIGC-KRWDZBQOSA-N 371.368 1.896 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)C1 106529993 ZCQGXKOSCITCTF-MASVMSMMSA-N 370.515 1.248 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420226 VLEIQZZQYNRKKM-AHXJXLJNSA-N 364.829 1.927 0 40 FDAB O=C(NC[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 58216599 RADAORVXDHPSEJ-HNNXBMFYSA-N 362.393 1.038 0 40 FDAB Cc1nc(CNC(=O)NCc2cccnc2N2CCN(C)CC2)cs1 58293411 XQRSHXICHTZVJR-UHFFFAOYSA-N 360.487 1.598 0 40 FDAB CCC(CC)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3320869 LAQMLCOXYQCRTJ-UHFFFAOYSA-N 356.444 1.399 0 40 FDAB OCCNCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 3324736 JJENJQATONEIIW-GFCCVEGCSA-N 354.501 1.860 0 40 FDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1 58457616 UXZYEYZPVZZESY-JTQLQIEISA-N 367.851 1.819 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O 58438850 PFAMIFFEZXPXNB-RYUDHWBXSA-N 359.386 1.303 0 40 FDAB CCc1ccc2c(COC(=O)[C@@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 10994146 JAGVNKZTERXJIF-GFCCVEGCSA-N 350.392 1.833 0 40 FDAB CNC(=O)c1ccc(-c2nc(CCn3c(=O)oc4ccccc43)no2)cn1 97141553 QCNNTYOKFZZORX-UHFFFAOYSA-N 365.349 1.642 0 40 FDAB C[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11137738 KGEORHKEZMEBRS-NXEZZACHSA-N 361.366 1.660 0 40 FDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccc(F)cc2)CC1 29660672 CDYVFKMYFLISBR-GFCCVEGCSA-N 373.436 1.178 0 40 FDAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)CN2CCN(c3ccccc3)CC2)C1=O 60358235 MEANVTUQMIYMSX-XLIONFOSSA-N 374.485 1.136 0 40 FDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1CCCCC1 11904552 OJWZMLQAWAWEMW-UHFFFAOYSA-N 372.468 1.236 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3516120 HSIIJQNUDWUBRQ-UHFFFAOYSA-N 353.429 1.838 0 40 FDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C)c1 12908194 JVNOOIKIFCBKOD-ZDUSSCGKSA-N 363.439 1.407 0 40 FDAB O=C(Cn1c(=O)cc[nH]c1=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 12976809 AJWWBSBAUINWCD-GFCCVEGCSA-N 370.390 1.569 0 40 FDAB NC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 49734777 CUMBTXXQBKHVHX-ZDUSSCGKSA-N 355.438 1.856 0 40 FDAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)N(CC(N)=O)c2ccccc21 72403591 ALTNYBGTSKALRS-GOSISDBHSA-N 353.382 1.574 0 40 FDAB COc1ccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 14021922 CYZNHYBXCRTIDU-UHFFFAOYSA-N 368.480 1.778 0 40 FDAB COCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408627062 XTQBPIISXRXLQP-JTQLQIEISA-N 364.851 1.168 0 40 FDAB CCC(N[C@@H](C)CCCN(CC)CC)=C1C(=O)N(C)C(=O)N(C)C1=O 19706831 UVUVCLRDGUNOAN-ZDUSSCGKSA-N 352.479 1.801 0 40 FDAB O=C1C(=O)N(C2CC2)C(=O)N1CN1CCC(c2nc3ccccc3o2)CC1 14233711 YTIJOZHQCCJALZ-UHFFFAOYSA-N 368.393 1.918 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 84543882 DLBIQYROTDWCRJ-CQSZACIVSA-N 351.447 1.818 0 40 FDAB NC(=O)[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2O1 6648494 RNCFIGVSTRGMCK-LLVKDONJSA-N 354.288 1.181 0 40 FDAB COCCn1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ccc1=O 9457740 UXWNQGRLMQTBHD-UHFFFAOYSA-N 371.315 1.718 0 40 FDAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 9419068 ZGAOGEUCVZBJKU-CQSZACIVSA-N 358.320 1.554 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)C1 7131684 RHPNNKAARDUMLZ-VOJFVSQTSA-N 365.380 1.990 0 40 FDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 7814092 ZNGDWDIOGGXXJA-GOSISDBHSA-N 355.350 1.436 0 40 FDAB C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 16446934 XDKCJPRXOVTYOO-OLZOCXBDSA-N 363.435 1.994 0 40 FDAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806628 AHXVWBLLBQTBIT-VERVWZFWSA-N 360.501 1.100 0 40 FDAB COc1cccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCOC3)CC(=O)N2C2CC2)c1 95988810 RUUZVEBWRNURTK-SOVGHPHASA-N 358.438 1.900 0 40 FDAB C=CC(=O)Nc1cccc(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)c1 1557318914 JPPDBEKNOIVUCO-LBPRGKRZSA-N 354.366 1.642 0 40 FDAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(C(=O)c1ccco1)C2)C1CC1 306134011 NBQRJZNHHNXHRO-KSSFIOAISA-N 355.398 1.375 0 40 FDAB Cc1ccn(CCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524731094 KCLJKVXFWUJAAX-URLQWDBASA-N 354.410 1.418 0 40 FDAB biogenic O=C(O)[C@@H](c1ccc(Br)cc1F)N1CCn2ncnc2C1 566567385 NYWSIXUCOZTAHI-GFCCVEGCSA-N 355.167 1.821 0 40 FDAB COc1cc(C[C@]2(c3cccs3)NC(N)=NC2=O)cc(OC)c1OC 71976286 NCTVIMJBJPFPCA-QGZVFWFLSA-N 361.423 1.656 0 40 FDAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCN3CCOCC3)c2)n1 79502327 NCGFYPAOBNTJOV-UHFFFAOYSA-N 355.442 1.899 0 40 FDAB Cc1cc(=O)n2nc(NCc3ccccc3CN3CCOCC3)sc2n1 40039771 LUGKUVMVIMMXQT-UHFFFAOYSA-N 371.466 1.904 0 40 FDAB CN(C)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(Br)cc2)c1=O 222665624 FKTDGQRHUFZQMG-UHFFFAOYSA-N 368.187 1.048 0 40 FDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H]1CCCO1 223276109 GYNGMUKHHHCQEI-JKSUJKDBSA-N 370.471 1.535 0 40 FDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NCCCn1ccnc1C 223410324 YDVYBZGPMJGJMK-KRWDZBQOSA-N 370.453 1.898 0 40 FDAB C[C@@H](O)CNC(=O)CCCOc1nn(C)c2ccc(Br)cc12 226865228 LGNWVTNQYPMUDH-SNVBAGLBSA-N 370.247 1.992 0 40 FDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 40025574 MITFXNXGJQLBJD-YABQJVKDSA-N 352.456 1.956 0 40 FDAB C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)C(=O)O 44136038 PSRCBRUPIDLBSA-LRDDRELGSA-N 356.378 1.323 0 40 FDAB in-vitro COc1ccccc1OCc1cn(CC(=O)NCc2cc(C)nn2C)nn1 227161353 WBEOBNGUNUSVQG-UHFFFAOYSA-N 370.413 1.224 0 40 FDAB C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccnc3c2nnn3C)C1 333963924 OKTSLHQUBIEXQK-SNVBAGLBSA-N 356.352 1.320 0 40 FDAB O=C1N[C@@H](CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C(=O)Nc2ccccc21 96113935 SDMWCRRCKPGDGU-JOTOCRJQSA-N 371.437 1.281 0 40 FDAB biogenic CO[C@H]1CCN(C(=O)c2cnc(C)cn2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96207963 RSTJNQBXSKSJJD-JQHSSLGASA-N 356.426 1.740 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)cc1 96107874 NKWAGFRQVCHLEK-DOTOQJQBSA-N 352.456 1.308 0 40 FDAB COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96064985 SXXYYXVYDXGPPO-IAGOWNOFSA-N 355.456 1.901 0 40 FDAB CC(C)[S@@](=O)c1ccc(C(=O)N(CC(=O)O)C2CCOCC2)cc1 583650559 JBTVCJZQXFKVDX-XMMPIXPASA-N 353.440 1.908 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H](N)C1 50242280 NPZKAMZCHYAJEF-MRVPVSSYSA-N 369.668 1.833 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 96228133 VASJVUMXTRHRKJ-UHFFFAOYSA-N 359.474 1.113 0 40 FDAB CN(C)CC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21 248122011 NJBNPHXRCPOAPB-INIZCTEOSA-N 362.499 1.795 0 40 FDAB C[C@@]1(O)CCN(S(C)(=O)=O)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 604383133 OPOYZYOIJNJCMZ-YQQAZPJKSA-N 352.456 1.039 0 40 FDAB biogenic,in-vitro Cc1cc(N2CC[C@@](O)(CNC(=O)CCc3cccc(F)c3)C2)ncn1 257333478 YBSINIVMBRTEFE-LJQANCHMSA-N 358.417 1.614 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCO[C@H](CCc2ccncn2)C1 257200139 ACDUJUQAOIIAEQ-OAHLLOKOSA-N 351.403 1.638 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)[C@H](C(N)=O)C1 257211192 BXVKYMZUFNIQDD-SFHVURJKSA-N 367.405 1.637 0 40 FDAB Cc1cc(-c2cc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nc(C)n2)[nH]n1 257307563 SZFWGOSWRCMWCZ-GFCCVEGCSA-N 350.448 1.079 0 40 FDAB CC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)on1 257326631 WXYOTBJCWIQQKM-LJQANCHMSA-N 358.442 1.982 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)Cc3cccnc3)CC2)C[C@@H](O)C1(C)C 257290253 QCECUPKVNKOVRZ-QGZVFWFLSA-N 359.470 1.625 0 40 FDAB O=C(CO)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257286933 PNSAXCYCMPRNJW-SNVBAGLBSA-N 367.331 1.942 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(CCCOc3ccccc3F)C[C@@H]21 257298442 RLPRBVPLHJYPOA-RDJZCZTQSA-N 352.406 1.153 0 40 FDAB CO[C@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)[C@](C)(C(=O)O)C1 630473917 NGHMUQLUHQVKNF-APWZRJJASA-N 372.425 1.705 0 40 FDAB COC[C@]1(C(=O)O)CCCN1Cc1ccc(Cl)cc1-n1cncn1 643878041 HRMYGKGKIVKXHE-INIZCTEOSA-N 350.806 1.986 0 40 FDAB C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)C1CCC(F)(F)CC1 655340694 IGIBMBKSDTVVLN-SECBINFHSA-N 351.357 1.772 0 40 FDAB Cn1nccc1[C@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CCO1 1262292386 VPOSWEPNYIDULT-UKRRQHHQSA-N 360.418 1.259 0 40 FDAB COCC1(C(=O)NCCC2(CNC(=O)CCCn3cccn3)CC2)CC1 1775996764 HVHCXHSJELOYDX-UHFFFAOYSA-N 362.474 1.493 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@@H]1C(=O)NCC(N)=O 1616032303 SWMOBBBYJUMHJZ-GOEBONIOSA-N 361.442 1.771 0 40 FDAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)NCc3cccs3)ccc21 96362870 NWYLHDUZEQKNNZ-MRXNPFEDSA-N 359.451 1.206 0 40 FDAB CN1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)[C@H]1CCOC1)C2 575405066 RHLRUJLLDBDLBP-MSOLQXFVSA-N 359.470 1.558 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)cn1 585098999 AETIGXSPZPCXHV-INIZCTEOSA-N 357.458 1.891 0 40 FDAB COCCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282872 BHQMBNSUQNNARF-QGZVFWFLSA-N 370.833 1.228 0 40 FDAB CS(=O)(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 31979522 NQXJOKIWILZZIX-UHFFFAOYSA-N 373.390 1.293 0 40 FDAB CCn1ccnc1N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 11695648 PHMZRWVRPGWNKG-UHFFFAOYSA-N 352.394 1.972 0 40 FDAB CCCCN(C(=O)COc1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 14068314 AXANQQFEYVOMTK-UHFFFAOYSA-N 374.441 1.741 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCOc2ccccc21 14160369 SZTPLYOCSGBYAS-CQSZACIVSA-N 354.362 1.785 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1C 18024460 ONDBKOVISVOSNT-PHIMTYICSA-N 366.414 1.601 0 40 FDAB C[C@@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)N1CCCC1=O 19080231 URBGFJTVNXYBGH-AWEZNQCLSA-N 367.453 1.950 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19502011 YEZNKYFKDZHBMC-HRLGVUPISA-N 360.410 1.370 0 40 FDAB NC(=O)C1CCN(C(=O)CN2CCC(Oc3ccc(F)cc3)CC2)CC1 19659209 PFBVSTKXWZKVST-UHFFFAOYSA-N 363.433 1.393 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCNc3ccccn3)C2)c1 19750225 OBJDZXRIACILTL-MRXNPFEDSA-N 368.437 1.781 0 40 FDAB c1nc(C2CCOCC2)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888891037 LFMHXNWIDDZRCE-UHFFFAOYSA-N 366.429 1.364 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4nnc(C)s4)CC3)nn2)n1 1888930449 MZNKRESOYNRWGP-UHFFFAOYSA-N 356.459 1.766 0 40 FDAB O=C(CN1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCCC1 1889101396 PPEAQFGYFHVCKX-UHFFFAOYSA-N 357.380 1.630 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)NC1CCCC1 4341796 XQLWZDNMVLXJNB-UHFFFAOYSA-N 356.361 1.175 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21 4338399 BPQITVHQONXAEE-UHFFFAOYSA-N 351.322 1.476 0 40 FDAB Cc1cc(NC(=O)C(=O)NC2CCCCC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038790 WYIAKRGTIDEBNI-UHFFFAOYSA-N 372.429 1.268 0 40 FDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738813 SHVZONPWGZEJRG-GFCCVEGCSA-N 358.398 1.707 0 40 FDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccsc1 230080789 GWLPVDHIZACNEG-LOUJCGABSA-N 354.424 1.914 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)c1 11635231 GPSSAUGZBWJKDH-UHFFFAOYSA-N 363.395 1.983 0 40 FDAB O=C([C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1)N1CCSCC1 96101439 RTQITEBFHFEARR-SNVBAGLBSA-N 362.377 1.374 0 40 FDAB C[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)N(C)c1ccccc1 40108040 GBVZQVYQMAWIAD-GDBMZVCRSA-N 353.488 1.442 0 40 FDAB O=CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20729877 QRCWVWJOHKWGPO-CQSZACIVSA-N 366.215 1.830 0 40 FDAB COc1ccc([C@H](CNc2c(NCCCN(C)C)c(=O)c2=O)N(C)C)cc1 101679586 YFBDWJHLTHHHLI-INIZCTEOSA-N 374.485 1.370 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)c4c(F)cccc4F)CC3)ncnc21 32904618 OLGMSWCMGIHDEB-UHFFFAOYSA-N 358.352 1.604 0 40 FDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2451537 SSJMJXKYSAWAAL-GFCCVEGCSA-N 367.254 1.871 0 40 FDAB CCn1[nH]cc/c1=N\C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 105073456 ILNUHUJLWCGLSI-HEHNFIMWSA-N 353.378 1.938 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2)CC1 4686810 DRFPPVZEUTZOOE-FDCRZUCXSA-N 365.433 1.142 0 40 FDAB CC[C@@H](CO)NS(=O)(=O)c1ccc(I)c(C)c1 95945877 IXVNUNFEJSDFCL-VIFPVBQESA-N 369.224 1.649 0 40 FDAB COc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(CCC(C)C)C2=O)c1 25052337 VDSHTIDVBRFFPT-INIZCTEOSA-N 361.442 1.739 0 40 FDAB Cc1ccc2nc(C)c(C(=O)OCC(=O)NCC(=O)N3CCCC3)cc2c1 43890767 ODWMXRIXOHCCEY-UHFFFAOYSA-N 369.421 1.747 0 40 FDAB Nc1nc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc(Nc2ccccc2)n1 12524895 USZISIUFCLQOTM-STQMWFEESA-N 350.382 1.649 0 40 FDAB COc1cc(C)c(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1OC 26526903 RGPNINGODNDAIC-UHFFFAOYSA-N 352.416 1.724 0 40 FDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1 3217638 VRTMCTGOTDPVKW-JXMROGBWSA-N 364.467 1.780 0 40 FDAB NC(=O)c1ccc(Cl)cc1OCC(=O)NC(=O)NCC(F)(F)F 58225061 LACHXFBZKQGZAR-UHFFFAOYSA-N 353.684 1.206 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)NCC1(N2CCOCC2)CCCCC1 12746290 PCYSFKZVWJJPCF-UHFFFAOYSA-N 373.497 1.876 0 40 FDAB NC(=O)[C@H]1CN(C(=O)CN2CCC[C@H](C(F)(F)F)C2)c2ccccc2O1 36390294 VAYUHQQPZFTCEE-SMDDNHRTSA-N 371.359 1.540 0 40 FDAB O=C(Cn1ccnc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 10809399 BVOXJSPZRPTKIW-UHFFFAOYSA-N 368.846 1.960 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 28439174 VFHLATJIYOTBBO-AWEZNQCLSA-N 368.455 1.578 0 40 FDAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCn3cncn3)nn2c(O)c1C 100723871 QLFLVRWVRIKDHI-AWEZNQCLSA-N 355.402 1.397 0 40 FDAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)CN1CCOCC1 28689982 KDNBWRDEKJEYAY-HNNXBMFYSA-N 371.462 1.818 0 40 FDAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1OC 3401371 BHJKRIOTBZRLJQ-UHFFFAOYSA-N 362.455 1.925 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 3464942 LEGXDDHOKCOGNQ-UHFFFAOYSA-N 369.208 1.891 0 40 FDAB NC(=O)c1ccc(NC(=O)CCNC(=O)CCC(=O)c2cccs2)cc1 12994767 CRXBUICWLNJIDM-UHFFFAOYSA-N 373.434 1.955 0 40 FDAB CN1CC[C@H](COCc2cccnc2)CC12CN(Cc1cnn(C)c1)C2 306137788 RGLOTAPNDHWWCW-KRWDZBQOSA-N 355.486 1.928 0 40 FDAB C[C@H](NC(=O)CN(C)CCNC(=O)N(C)C)c1ccc2c(c1)CCCC2 95456018 ZORBPTAFTHHDMX-HNNXBMFYSA-N 360.502 1.946 0 40 FDAB CCCCCS(=O)(=O)CC(=O)N[C@@H](C)[C@H](O)c1ccc(OC)cc1 95444126 AYZLHBPVCYKJKH-GUYCJALGSA-N 357.472 1.838 0 40 FDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NC1CCCC1 5797375 WZCQOSJPNQYYRI-UHFFFAOYSA-N 354.366 1.911 0 40 FDAB Nc1ccnc(CNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)n1 95465377 PNHGYJFEYPWRMW-UHFFFAOYSA-N 368.441 1.487 0 40 FDAB CCn1c(SCC(=O)N2CCCC2)nc2cc(S(N)(=O)=O)ccc21 6977251 NBLFVVSWDMPGMU-UHFFFAOYSA-N 368.484 1.418 0 40 FDAB C[C@@H](C1CC1)N(C(=O)CN1CCC2(CC1)SCC(=O)N2C)C1CC1 95469399 MCZGNQCNXFFGLR-ZDUSSCGKSA-N 351.516 1.773 0 40 FDAB Nc1nc(COc2cccc(-n3cnnn3)c2)nc(Nc2ccccc2)n1 7256204 NQTKQXJEOLJYTP-UHFFFAOYSA-N 361.369 1.752 0 40 FDAB NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc2ccccc2c1O 7358073 QLXKIWNGTZOQKD-OAHLLOKOSA-N 356.378 1.569 0 40 FDAB CN1CCN(C[C@H](NC(=O)C(=O)Nc2ccccc2)c2ccccc2)CC1 68191102 NOCKPRHXPJQHJS-IBGZPJMESA-N 366.465 1.730 0 40 FDAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 7708469 RGLYPWJBPJSKKG-UHFFFAOYSA-N 356.425 1.452 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(Br)o2)cn1 7871531 AUHFOFPAGIXCMR-UHFFFAOYSA-N 352.188 1.905 0 40 FDAB C[C@@H]1Cc2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2N1S(C)(=O)=O 17304189 MXWGAAJGOFXKGD-LLVKDONJSA-N 370.434 1.948 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(N2CCOCC2)cc1 8710860 KSSOORFEVCOSRD-UHFFFAOYSA-N 370.434 1.933 0 40 FDAB CCCn1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)nc2ccccc21 8708426 OGKUJOAEZABFJV-UHFFFAOYSA-N 365.397 1.528 0 40 FDAB COc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F 8748993 DKHZAPISYVYGNC-SNVBAGLBSA-N 352.387 1.973 0 40 FDAB CN(C)c1nc(N)nc(CN2CCN(CC(F)(F)F)c3ccccc32)n1 72309442 GEELRFHDMZAUIU-UHFFFAOYSA-N 367.379 1.909 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306135312 ONGCMQXYXYXSHI-CQSZACIVSA-N 367.471 1.370 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306141666 WDHLPGIRJJOCMU-KGLIPLIRSA-N 357.483 1.926 0 40 FDAB NC(=O)c1cccc(CNC(=O)CN2C(=O)CCOc3ccccc32)c1 25333582 PADMDJWIRWUGJC-UHFFFAOYSA-N 353.378 1.217 0 40 FDAB O=C(COC(=O)CN1C(=O)COc2ccccc21)NCc1cccs1 24645722 QGXGWEVTCVZWNI-UHFFFAOYSA-N 360.391 1.333 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592301 LACFTFGEZZQLLS-BDAKNGLRSA-N 369.270 1.811 0 40 FDAB CSCC[C@H]1NC(=S)N(CCNC(=O)c2ccc(Cl)cc2)C1=O 32778527 VNSOCDYFFXGAIQ-GFCCVEGCSA-N 371.915 1.908 0 40 FDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217636018 HLBSKKFMRVRACK-VXGBXAGGSA-N 372.443 1.289 0 40 FDAB O=C(N[C@@H]1CCc2ncc(C(=O)N3CCCCC3)n2C1)c1ccccn1 306138517 RZIKKFWLNOAXBW-CQSZACIVSA-N 353.426 1.649 0 40 FDAB O=C(Cc1cccs1)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335793 UNWQPPQFOXSJSC-UHFFFAOYSA-N 369.450 1.897 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 218122937 ZNPNBRPOGYECEM-IXDOHACOSA-N 367.854 1.978 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCOc2cccc(F)c2)n(C)c1=O 32322431 PVYLSTKACHAZFI-UHFFFAOYSA-N 352.753 1.305 0 40 FDAB O=C(Nc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1)c1ccco1 32893068 ZEONKWCVEITSPQ-ZDUSSCGKSA-N 362.407 1.583 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 44361972 MKMLCYRTSPXTSS-AWEZNQCLSA-N 351.472 1.897 0 40 FDAB Cc1cc(CN2CCN(S(=O)(=O)c3cccc(C)c3F)CC2)no1 180472374 DCGVLVFVEJDPRY-UHFFFAOYSA-N 353.419 1.937 0 40 FDAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)O)c(=O)[nH]1 49468519 KVLVQFREOKETNJ-UHFFFAOYSA-N 371.802 1.083 0 40 FDAB O=C(C1CCC1)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225469306 GZMSGUVKDJJCQC-UHFFFAOYSA-N 365.499 1.585 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)nn1C(C)C 577754287 ASCHHXDYTZSPJN-UHFFFAOYSA-N 357.414 1.582 0 40 FDAB O=C(NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2)c1ccsc1 96197663 XVRCKYDMMNEBNE-UHFFFAOYSA-N 358.467 1.851 0 40 FDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2[C@H](Cc3n[nH]c(C)n3)OC[C@H]2C1 96217803 WDZUURWGJPXQOS-FMKPAKJESA-N 358.446 1.358 0 40 FDAB CCc1noc([C@]2(O)CCN(C(=O)NCc3noc4c3CCCC4)C2)n1 585083205 WQKRSJCMGFGKKJ-KRWDZBQOSA-N 361.402 1.302 0 40 FDAB Cn1c(SCC(=O)OCc2cc(=O)c(O)co2)nc2ccccc2c1=O 96191737 CFFLLGZOPCQYLL-UHFFFAOYSA-N 374.374 1.428 0 40 FDAB O=C1CO[C@]2(COCCN(c3ccccn3)C2)CN1c1cccc(F)c1 96240114 DFDDJARAODDFFD-IBGZPJMESA-N 357.385 1.860 0 40 FDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247814110 ACPWIGYAPDYPMR-MAOAEMCLSA-N 374.437 1.713 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(S(=O)(=O)C2CC2)C3)n1 247857499 DFHCTHVRKXRQRF-OAHLLOKOSA-N 352.456 1.632 0 40 FDAB Cc1cccc(CN2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)n1 247866358 ITMVUTGISRXNKM-APWZRJJASA-N 358.442 1.406 0 40 FDAB COCc1ccc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)cc1 257228358 FTMZSTLCDRLIJQ-LJQANCHMSA-N 356.426 1.384 0 40 FDAB CNc1cccc([C@H]2CN(C(=O)c3ccnc(NC(C)=O)c3)CCO2)n1 257229231 FXHAPWBXZKGQCY-OAHLLOKOSA-N 355.398 1.690 0 40 FDAB CCS(=O)(=O)CCN1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 253600113 DWRJDUHFBRVUMC-OAHLLOKOSA-N 368.503 1.113 0 40 FDAB C[C@@H](N1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1)C(F)(F)F 267407141 JXFKYUMRHWVNNX-GFCCVEGCSA-N 353.348 1.976 0 40 FDAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 96026036 JJEBVCIPMAAXLE-UHFFFAOYSA-N 366.395 1.562 0 40 FDAB CC(C)(C)c1[nH]cnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 631810014 PNQAYCNKBYBZKU-INIZCTEOSA-N 356.470 1.856 0 40 FDAB CCc1cc(C(=O)N2CC[C@@H](N=c3ccc4nc(C)cn4[nH]3)C2)n(C)n1 635830548 RIBBPKXSSRPRGC-CQSZACIVSA-N 353.430 1.082 0 40 FDAB COc1ccc([C@H]2CCN(C(=O)c3cnnn3C3CCNCC3)C2)cc1F 638763381 ANQIVWVBAQWAAS-AWEZNQCLSA-N 373.432 1.980 0 40 FDAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)cc1Cl 643430602 BPCXGGKNOGTACY-JTQLQIEISA-N 352.195 1.317 0 40 FDAB Cc1noc(CN2CCCC[C@H](N=c3nc(C(C)C)[nH]s3)C2=O)n1 643700138 QLRUCFWYCRZHBW-NSHDSACASA-N 350.448 1.768 0 40 FDAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c[nH]nc1[C@H]1CCCNC1 643724563 QILMWNWOKQKMSJ-LSDHHAIUSA-N 359.474 1.398 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 650774351 UCVBDGSDKLQFDR-SECBINFHSA-N 358.320 1.397 0 40 FDAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)c1cccc(Cl)c1 575608774 PBVNNUWERHIXBF-UHFFFAOYSA-N 353.831 1.753 0 40 FDAB Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)n1 585097461 LYMBCMKSSOHSLD-KRWDZBQOSA-N 356.474 1.446 0 40 FDAB CC(=O)N1CCC[C@]1(CO)CC(=O)N1CCN(Cc2ccccc2)CC1 585281434 ZVRMZQUTQYVYIH-HXUWFJFHSA-N 359.470 1.094 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@H](C(=O)O)N(Cc2ncn(-c3ccccc3)n2)C1 685940527 NLCVRLFAQNRRIB-DZGCQCFKSA-N 357.414 1.021 0 40 FDAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ncc[nH]c3=O)CC2)nn1 1775995170 GFHQTSMZBZXUIP-UHFFFAOYSA-N 371.441 1.789 0 40 FDAB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)NC(=O)Nc1ccccc1 54991629 ZHORWJDDRQPSSV-GFCCVEGCSA-N 372.347 1.478 0 40 FDAB CC[C@@H](CN1CCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 12239696 YSCDDGKYMSFIQK-HNNXBMFYSA-N 356.470 1.950 0 40 FDAB COC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12752308 VRDOBAYGBRLYDW-NSHDSACASA-N 367.379 1.476 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)c12 13960212 KQDWBQAGZRGCRP-SSDHTEECSA-N 366.299 1.952 0 40 FDAB COc1cc(OC)cc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 7764317 IEHGCIWHIMJMHA-IBGZPJMESA-N 369.377 1.816 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)n(C)n1 1888888449 GFRAWJWFSVTZRV-GASCZTMLSA-N 364.453 1.824 0 40 FDAB Cc1nc2ccccc2nc1N1C[C@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888897416 PNPZDNPAKHUPHH-CHWSQXEVSA-N 364.409 1.712 0 40 FDAB C[C@@H](C(=O)N1Cc2ccc(O)cc2C2(CC2)C1)n1cnc2c(N)ncnc21 1118708142 QIUKSCYUFVBSST-NSHDSACASA-N 364.409 1.749 0 40 FDAB O=C(c1cnccn1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985005 UTNWVHJCRYJGBI-PBHICJAKSA-N 352.394 1.371 0 40 FDAB O=C(c1ccsc1)N1CCOC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 1565553709 ILJQQEJOHFOMAA-AWEZNQCLSA-N 364.467 1.618 0 40 FDAB Cc1ncnc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)c1C 1565554660 DCNXZYHEIDDSKN-SJLPKXTDSA-N 374.485 1.435 0 40 FDAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NC[C@@H]1CCCO1 4328095 XKLDACKZFQQIQB-ZDUSSCGKSA-N 370.438 1.574 0 40 FDAB CCOCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438116 BRIQGRDPLZCLCN-UHFFFAOYSA-N 354.476 1.866 0 40 FDAB COc1ccc(NC(=O)CSc2ncnc3c2nnn3C)cc1OC 13531806 ZMVNTVSKYCZPJU-UHFFFAOYSA-N 360.399 1.506 0 40 FDAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1cccnc1 13799743 QCDMWIAZMXQSGV-UHFFFAOYSA-N 360.395 1.267 0 40 FDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1cccc(F)c1 2055734729 PENLHJHCKBEWOA-HNNXBMFYSA-N 359.401 1.933 0 40 FDAB Cn1c(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)cccc1=O 2055746395 XAFBVKIKWIMQLO-QDMKHBRRSA-N 352.394 1.127 0 40 FDAB Cc1cc(O[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)cc(=O)o1 206965983 JCBWDOZIRCUMBL-OAHLLOKOSA-N 366.377 1.822 0 40 FDAB CCn1cc(N2CCC[C@H](NC(=O)NC(C)(C)C)C2)c(=O)n(CC)c1=O 2298189219 JLXPLGHLHBCHBE-ZDUSSCGKSA-N 365.478 1.116 0 40 FDAB COc1ccc(CC(=O)NCCNc2cc(-n3cccn3)ncn2)cc1 36705466 KQJFVTARRFFQDI-UHFFFAOYSA-N 352.398 1.442 0 40 FDAB Cc1ccc2nc(CN3CCc4cc(S(N)(=O)=O)ccc43)cc(=O)n2c1 27550211 RWHMQNMCJMLPMD-UHFFFAOYSA-N 370.434 1.213 0 40 FDAB O=C(COCc1nc2ccccc2c(=O)[nH]1)NCCOc1ccccc1F 31971203 ABPUNBCURGUKFB-UHFFFAOYSA-N 371.368 1.774 0 40 FDAB Cc1ccccc1C(=O)NCCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32768820 PAJRRKZENOIFIK-GOSISDBHSA-N 365.433 1.554 0 40 FDAB CC(=O)N1CCC(C(=O)NCc2cccnc2OCC(F)(F)F)CC1 32817413 WJIIPQJNCFZZGO-UHFFFAOYSA-N 359.348 1.897 0 40 FDAB CCN(CC)Cc1ccccc1CNC(=O)CN(C)CC(=O)NC(C)C 32820985 QSQJSDOKYLBXCH-UHFFFAOYSA-N 362.518 1.601 0 40 FDAB Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NC(C)(C)C 919835 OIOKWOBVUJQUKJ-UHFFFAOYSA-N 359.459 1.615 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 23652269 CHWDLGSXBVLHQV-UHFFFAOYSA-N 355.460 1.034 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(N)=O 3367064 JKQGLSCFTWPOTF-GFCCVEGCSA-N 366.373 1.556 0 40 FDAB CCOC(=O)c1nnn(-c2nc(OC)nc(N(C)C)n2)c1-c1ccccc1 1074279 USRGMWYRPNFNEU-UHFFFAOYSA-N 369.385 1.371 0 40 FDAB C[C@@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)C(=O)NC(N)=O 6124884 VHKFCZFBMTXVGC-RKDXNWHRSA-N 371.390 1.013 0 40 FDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@@H]2C=C[C@H]1C2 6742581 ZYNHHNSCGDFQLP-FZCLSBEQSA-N 358.413 1.993 0 40 FDAB NC(=O)c1c(NC(=O)CSc2ncnc3[nH]ncc23)sc2c1CCC2 7089843 HCESRKAUYKRNHH-UHFFFAOYSA-N 374.451 1.733 0 40 FDAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 24528649 KNAFZDLPHJZCAJ-UHFFFAOYSA-N 366.462 1.751 0 40 FDAB CC(C)[C@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCC1 97102292 QQWWNMAIRZOINK-ZDUSSCGKSA-N 350.448 1.885 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O 24770811 UMRASAWKKJSJPA-UHFFFAOYSA-N 363.418 1.444 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 24886178 XWHWCGLQEHGTTC-UHFFFAOYSA-N 368.436 1.714 0 40 FDAB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1[nH]ncc1C(=O)O 37731890 LHKKOWPJZBXJQR-UHFFFAOYSA-N 374.216 1.691 0 40 FDAB COc1ccc([C@H](CNC(=O)[C@H](C)S(C)(=O)=O)N2CCCC2)cc1 48093805 RSHYOODDSOGBRR-BBRMVZONSA-N 354.472 1.381 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 107364781 DPQXAMLNYUGFKX-ULQDDVLXSA-N 373.497 1.989 0 40 FDAB O=C(CN1CCN(c2ccccc2O)CC1)NC(=O)NCc1ccccc1 35436290 VRVTZZKSCVPFRZ-UHFFFAOYSA-N 368.437 1.540 0 40 FDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 57280334 FIHXENFLDKSEMJ-GFCCVEGCSA-N 352.456 1.788 0 40 FDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccccc1Cl 104279728 UTLNGNXQYJDZNJ-OAHLLOKOSA-N 359.817 1.866 0 40 FDAB CSC[C@H](NC(=O)COc1cc(C)cc2oc(=O)cc(C)c12)C(=O)O 2126076 IETBELBVWLBLCY-NSHDSACASA-N 365.407 1.721 0 40 FDAB biogenic O=C(CN1CCN(C(=O)c2ccc(Br)o2)CC1)N1CCCC1 36383780 HDBQJSBQEGJRJL-UHFFFAOYSA-N 370.247 1.422 0 40 FDAB Cc1ccc(NCCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10049363 KCIHYSGVJMQKPC-UHFFFAOYSA-N 366.425 1.795 0 40 FDAB CN(C)c1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)cn1 48332389 ZGMIMGACGAENKL-CQSZACIVSA-N 357.336 1.660 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11483071 BSXZZKLYBSRZIW-GFCCVEGCSA-N 369.381 1.009 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 46081798 XNIRRVADEZJOJP-QZTJIDSGSA-N 372.465 1.879 0 40 FDAB Cc1ccc(C)c(N2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)c1 20140592 FFKYBLCVSLDUSW-KRWDZBQOSA-N 356.474 1.791 0 40 FDAB O=C(NCc1ccc(F)cc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 12005800 MPRNRTIWJTWTNK-UHFFFAOYSA-N 362.382 1.822 0 40 FDAB O=C(NCCNc1ncccn1)c1cccc(NC(=O)[C@H]2CCCO2)c1 47104714 CPKBYQNMZPNNGI-OAHLLOKOSA-N 355.398 1.436 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 12816158 WHYZFORIWLXHLG-UHFFFAOYSA-N 365.455 1.324 0 40 FDAB O=C(Nc1ccccc1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12914476 XWOLXEPUZITZKK-SNVBAGLBSA-N 369.830 1.444 0 40 FDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2cccnc2)c1 49546257 OUMBEXXCYHXIAS-UHFFFAOYSA-N 363.377 1.301 0 40 FDAB O=C(Nc1cnccc1N1CCOCC1)c1nnc(O)c2ccccc12 96011818 NHQNGPCLKXMJIS-UHFFFAOYSA-N 351.366 1.819 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1cccnc1 13691777 CVXHYXRCUMEOQM-UHFFFAOYSA-N 373.365 1.140 0 40 FDAB O=C(NCCOc1ccccc1)c1ccccc1CN1C(=O)CNC1=O 14111921 WOCWYIRVBBOZSA-UHFFFAOYSA-N 353.378 1.547 0 40 FDAB O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)c1ccco1)C2)C1CC1 306134010 NBQRJZNHHNXHRO-KDOFPFPSSA-N 355.398 1.375 0 40 FDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(OCC)cc1)NC(=O)N2 9317330 FDDFHINVMMHPST-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc3ccccc3c2)C1=O 6589588 XKGDVFPBRLUSSC-UHFFFAOYSA-N 354.362 1.896 0 40 FDAB CCCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4685294 UGEFDUVNOIXSFZ-QGZVFWFLSA-N 360.439 1.989 0 40 FDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2[nH]c1=O 95473397 MFUKILUTQRWULO-GFCCVEGCSA-N 357.366 1.969 0 40 FDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC[C@@H]1CCCO1 5786091 CWPWUUBUUDBQEF-RDJZCZTQSA-N 362.426 1.279 0 40 FDAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4942125 PJOLYMNTLWHFHR-KKYGMFAVSA-N 359.378 1.765 0 40 FDAB CN1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 19831979 CZBUWGKJGNNNQB-KRWDZBQOSA-N 373.840 1.700 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1OCC 408696646 DABMASCDYCAMTI-ZDUSSCGKSA-N 356.444 1.292 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 17073895 SJIYTFDFOIQRAO-LLVKDONJSA-N 358.317 1.006 0 40 FDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708016 FQNNJTXIEKUZJL-AWEZNQCLSA-N 359.426 1.593 0 40 FDAB Cn1ccnc1N1CCN(C(=O)CSCC(=O)c2ccccc2)CC1 95960875 VCCRLGPGOQINLR-UHFFFAOYSA-N 358.467 1.685 0 40 FDAB Cc1nc(CN2CCN([C@@H](C)c3nnnn3-c3ccccc3)CC2)no1 95959664 CWKKYMITVLEFNA-ZDUSSCGKSA-N 354.418 1.233 0 40 FDAB Cc1nccn1C[C@H]1CCCN1CC(=O)NC(=O)NCc1cccs1 89735561 BRBXTMRCBGUCCQ-CQSZACIVSA-N 361.471 1.743 0 40 FDAB Cc1cnc(CNC(=O)[C@H]2CN(CC3CCCC3)Cc3ncn(C)c32)cn1 306123298 AJMSIBJESXKLGF-KRWDZBQOSA-N 368.485 1.924 0 40 FDAB c1cncc(COCC[C@H]2CCOC23CN(c2ccc4nncn4n2)C3)c1 306143647 YHVXQNSHHVTLES-INIZCTEOSA-N 366.425 1.722 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2CCN(C(=O)c3ccnnc3)[C@@H]2CC1 306133970 NAKFUFBJKOAGMN-XJKSGUPXSA-N 352.398 1.034 0 40 FDAB COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(OC)c1 409128449 FPESQJDRYKCHPS-WUXMJOGZSA-N 353.352 1.833 0 40 FDAB O=S(=O)(N1CCCC1)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 72350619 PJPIPMCXQNZVLK-CQSZACIVSA-N 362.459 1.182 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@@H]1[C@H]1Nc2ccccc2S(=O)(=O)N1 72342515 QUSABLDLQRTYMY-QAPCUYQASA-N 372.450 1.345 0 40 FDAB Cc1nnc([C@@H]2COCCN2S(=O)(=O)Cc2noc3ccccc23)o1 569066443 BYTZAIVTRFKGIZ-ZDUSSCGKSA-N 364.383 1.423 0 40 FDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1nc(C(=O)O)cs1 570975320 DKTQMZQLKLOTGD-SECBINFHSA-N 355.441 1.682 0 40 FDAB Cc1ncc2n1C[C@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O)CC2 570934822 UMKJNRFBXOMQKD-CZUORRHYSA-N 360.845 1.620 0 40 FDAB CCS(=O)(=O)c1ccccc1N1CC[C@@H](n2cc(C(=O)O)nn2)C1 572112990 GGGYHFSMRUILIL-LLVKDONJSA-N 350.400 1.221 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224309571 AGJSGIYPFFFCDQ-OAHLLOKOSA-N 355.442 1.659 0 40 FDAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)N1CCC(C(N)=O)CC1 227153081 BNDYUVVZLWNYPH-UHFFFAOYSA-N 356.426 1.754 0 40 FDAB CS(=O)(=O)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695208 RJXDVTZRXONITQ-UHFFFAOYSA-N 357.785 1.831 0 40 FDAB COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96064984 SXXYYXVYDXGPPO-SJORKVTESA-N 355.456 1.901 0 40 FDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 96250637 CRFPHCFDAKNGLT-RYQLBKOJSA-N 354.410 1.708 0 40 FDAB COc1ccccc1CN1Cc2ccnn2[C@@H](COCC(=O)N(C)C)C1 247991465 LONBGXLSTGLOFV-QGZVFWFLSA-N 358.442 1.553 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248040033 OMSKGDFDBUUFRX-CYBMUJFWSA-N 354.428 1.039 0 40 FDAB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242575066 NQOYUQOQQJGVHR-RVKKMQEKSA-N 368.499 1.982 0 40 FDAB Cc1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)n(C)n1 248059923 UFQVOVOJSGGPDI-LJQANCHMSA-N 371.485 1.553 0 40 FDAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCc3cccnc3)C2)ncn1 257212901 CFJVNQNGVCNVFH-IBGZPJMESA-N 355.442 1.260 0 40 FDAB Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3ccccc3F)C2)ncn1 257269606 MQQUQUNYMNDMJV-IBGZPJMESA-N 358.417 1.614 0 40 FDAB Cc1nc(O)cc([C@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257235353 GXLJCZWGCRSDQT-MRXNPFEDSA-N 359.382 1.528 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@]1(O)CCN(c2ccccn2)C1 257341730 ZLTCIPNEVZTWKV-NRFANRHFSA-N 351.450 1.870 0 40 FDAB CC(=O)NCc1cnc([C@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH]1 257326229 WWJUGZRMIFKGKJ-NSHDSACASA-N 354.457 1.286 0 40 FDAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257248841 JFLHSTCXDFWCKR-CYBMUJFWSA-N 364.475 1.171 0 40 FDAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)c4ccnn4C)C[C@H]23)cc1 257215978 CSNQRHREILPNHA-KZNAEPCWSA-N 354.454 1.989 0 40 FDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](c2nnc3ccccn23)C1 265621912 BNUQANMFSGUOKZ-OAGGEKHMSA-N 357.458 1.592 0 40 FDAB Cn1cnc2c1CCN(C(=O)c1cn(C(C)(C)C)nn1)C21CCOCC1 1614692079 SHICZXHPLAGZGL-UHFFFAOYSA-N 358.446 1.471 0 40 FDAB CNC(=O)NC[C@@H]1CN(C(=O)NCC2(c3ccccc3)CCC2)CCO1 636513877 INMPRDUQRXGEQA-MRXNPFEDSA-N 360.458 1.448 0 40 FDAB CCn1c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2C)nc2ccccc21 644275051 DKLVFKGYMLYCJC-GFCCVEGCSA-N 350.444 1.114 0 40 FDAB COc1ccc(Oc2ccc(NC(=O)[C@@]3(N)CCN(C(C)=O)C3)cn2)cc1 649341096 LQKBWBZXZSYXKN-LJQANCHMSA-N 370.409 1.771 0 40 FDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)OCC 59532521 IPVQLZZIHOAWMC-OWYFMNJBSA-N 368.474 1.941 0 40 FDAB biogenic Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1cnnn1Cc1ccccc1 657733252 YGHSVOSBIKOYLS-FUHWJXTLSA-N 352.442 1.927 0 40 FDAB CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C(=O)O)CC3(C)C)c2)CC1 663106140 OYYOAGBFAQUFQZ-HXUWFJFHSA-N 373.453 1.443 0 40 FDAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1nnc2n1CCCCC2 679541833 QCQVDEFSOGERHT-IHRRRGAJSA-N 361.446 1.932 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](COCc3cccnc3)CCN2C)C1 575402983 HGLBPQXFCUZUJG-INIZCTEOSA-N 367.515 1.733 0 40 FDAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)[C@H]1CCOC1)C2 575405068 RHLRUJLLDBDLBP-ROUUACIJSA-N 359.470 1.558 0 40 FDAB Cc1ccc(OC[C@@H]2CCn3nccc3CN2C(=O)C2CC(O)C2)cn1 585097795 QDFOYZYMVLFURO-WIHSUSGWSA-N 356.426 1.537 0 40 FDAB Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)n1 585097278 JODUSXKLXBRWQP-OAHLLOKOSA-N 358.446 1.404 0 40 FDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]21)NCc1ccco1 585108401 GBDOFRCVDCUAGX-NWANDNLSSA-N 350.390 1.652 0 40 FDAB CCCNC(=O)CNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 58213843 AJUXIOMWLBHQSX-OAHLLOKOSA-N 360.458 1.881 0 40 FDAB O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCO2 56059008 SVNWHGRJRKHDBR-UHFFFAOYSA-N 360.439 1.359 0 40 FDAB O=C(N=c1cc[nH]cc1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 559964619 FENQBORNUBVJRF-LLVKDONJSA-N 356.308 1.263 0 40 FDAB Cc1ncc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3C)C2)c(O)n1 1615083173 YHCPDPVIJDYZJD-IBGZPJMESA-N 357.410 1.245 0 40 FDAB Cc1cccc(N2CCC(O)(CN3C[C@@H]4CCCN4C[C@@H]3CCO)CC2)c1 1615190979 LLOMVFJSHXIKHB-SFTDATJTSA-N 373.541 1.857 0 40 FDAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 5652152 SMNUDMUQLIHHIW-NSHDSACASA-N 368.422 1.881 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1 5653890 KXCJZUOKTVLWCK-ZDUSSCGKSA-N 366.373 1.531 0 40 FDAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)no1 11091618 PKGOCASEGDHATQ-HNNXBMFYSA-N 363.439 1.611 0 40 FDAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C[C@@H]4CCCO4)c3n2)c1 12145911 ZNHXDFYAPSXHKN-LBPRGKRZSA-N 353.382 1.373 0 40 FDAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(N)=O)C3)ccc21 12220614 ZCYJWPXMKMWCCW-NSHDSACASA-N 367.427 1.061 0 40 FDAB COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC)cc3)no2)N(C)C1 12529913 XRHSHKIJTMJVLA-ZFWWWQNUSA-N 360.414 1.643 0 40 FDAB biogenic,in-vitro CC(C)(C)c1csc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 12984242 NQMIDLVMADUVML-UHFFFAOYSA-N 366.468 1.877 0 40 FDAB O=C(c1cccc(F)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008809 IERUGOSYCQEGJX-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB CC[C@H](C(=O)N[C@@H](C)COC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716787 VLGYNHXJZUCFBP-GOEBONIOSA-N 356.488 1.999 0 40 FDAB Cc1cccc(N2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)c1C 19235641 HBSPFQIHEQFMLS-KRWDZBQOSA-N 356.474 1.791 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)Cc1ccccn1)CC2 19528302 JZHVNWSDANEQMO-UHFFFAOYSA-N 365.437 1.608 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)c2cnn(C)c2C)C1 19553237 CXDUXOCEAGNCER-HXUWFJFHSA-N 368.437 1.698 0 40 FDAB CC(=O)N1CCC[C@@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1 19698020 IDQZURJWDMHGDJ-LJQANCHMSA-N 373.501 1.284 0 40 FDAB CCCc1cc(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)no1 19708977 GCGFQIVBQSLMMR-UHFFFAOYSA-N 372.473 1.726 0 40 FDAB COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)NC(=O)OC(C)(C)C 202421705 IHTNWVPUUOXPNM-ZDUSSCGKSA-N 357.428 1.699 0 40 FDAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)O 101273595 NCOUAWQFEJLBPV-GXTWGEPZSA-N 364.423 1.258 0 40 FDAB C[C@]1(NS(=O)(=O)c2ccc(C(=O)O)c(C(F)(F)F)c2)CCOC1 645994564 ZCXJOEQCUFMBHN-LBPRGKRZSA-N 353.318 1.861 0 40 FDAB CN(CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1ccccc1Cl 3584586 YTCMVZNIUQJBIR-UHFFFAOYSA-N 354.838 1.835 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncc(F)cn5)C[C@@H]4C3)ncnc21 1888897277 JTJISSOPORTGGJ-RYUDHWBXSA-N 354.393 1.348 0 40 FDAB COc1ccnc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)n1 1889096884 XYRHCFUXWKOVOD-UHFFFAOYSA-N 355.446 1.510 0 40 FDAB Cc1cc(=NC(=O)CN2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)[nH]o1 2037916226 WGCKORXUEWEPHH-FQEVSTJZSA-N 373.453 1.866 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)n[nH]1 1565545603 JBHFCNJDJBGXRZ-UHFFFAOYSA-N 368.397 1.062 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565547168 OEIOOHDUKOFBEP-HXUWFJFHSA-N 365.437 1.850 0 40 FDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1ccncc1 2471668 KARBJVOMJQCTIZ-AWEZNQCLSA-N 368.271 1.415 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)NCCCOC(C)C)cc1 4940964 BCXMKTOFVIIAHM-UHFFFAOYSA-N 358.460 1.160 0 40 FDAB O=C(c1cccc(Cl)c1)N1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 2055729637 FCZJIZTZGURYIZ-FVQBIDKESA-N 364.829 1.839 0 40 FDAB COc1cccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)c1 2055772141 APRDRMMVQSWRGA-UHFFFAOYSA-N 368.437 1.756 0 40 FDAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3cccs3)CC2)[nH]1 2055713482 UPTMRWRKGYKGFV-UHFFFAOYSA-N 370.482 1.730 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)o1 2055841055 XHIFADBZHAPSID-CQSZACIVSA-N 350.415 1.457 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)CC1 5016697 NYRYAGYWPHSABO-UHFFFAOYSA-N 371.455 1.976 0 40 FDAB O=C(CN1CCN(CCO)CC1)Nc1ccc(OC(F)(F)Cl)cc1 20507159 OAKWPDVVQDHGLQ-UHFFFAOYSA-N 363.792 1.403 0 40 FDAB Cn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(Br)cc1 101496328 VBPQJIOARNOJFR-UHFFFAOYSA-N 370.228 1.979 0 40 FDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102188410 VYWRDAAIMSPADK-WPEKQRQUSA-N 374.387 1.819 0 40 FDAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814339 AURIVUNLJYOJMR-UHFFFAOYSA-N 357.391 1.986 0 40 FDAB COc1ccc2oc(C(=O)OCC(=O)N3CCN(C(C)=O)CC3)c(C)c2c1 23074616 CMXFIQDFUVNPIP-UHFFFAOYSA-N 374.393 1.597 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)O)c(OC)c1 3957970 VPHJPSWLQFLNSJ-OAHLLOKOSA-N 364.354 1.350 0 40 FDAB COCCN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 55158704 NQRGMPIIOKVHPK-MRXNPFEDSA-N 365.499 1.072 0 40 FDAB CCN1CCN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)CC1 8479310 RGUXLCXDFKPISN-UHFFFAOYSA-N 367.515 1.705 0 40 FDAB O=C(Nc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1)C1CC1 25342785 IRUBOTRZXAPROQ-UHFFFAOYSA-N 351.410 1.788 0 40 FDAB Cn1nc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc2c1=O 25726516 NUFZNQUHQZVRRS-UHFFFAOYSA-N 371.418 1.518 0 40 FDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC(C(=O)N2CCOCC2)CC1 12797075 AISNQQHENOPSFY-AWEZNQCLSA-N 363.433 1.724 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1OC 12788456 NBSKLMPZSYVYKM-UHFFFAOYSA-N 369.468 1.671 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)[C@H](C)C2)cc1 58230425 HGCGEWXFTJQXDO-CYBMUJFWSA-N 355.394 1.512 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12734844 YRLOQMNLAKOHEO-YPMHNXCESA-N 365.503 1.818 0 40 FDAB O=C(CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCCC1 58715480 FXUAAIAYUNJGKB-GOSISDBHSA-N 371.481 1.785 0 40 FDAB O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 3440880 ZTKUICVROFTEMV-UHFFFAOYSA-N 351.406 1.401 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O 3458047 WWUGEBKGQPNXAG-UHFFFAOYSA-N 373.409 1.532 0 40 FDAB O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccco1)Nc1cccc(Cl)c1 9184529 TTYXNUHSJVVWCL-ZDUSSCGKSA-N 361.785 1.902 0 40 FDAB C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(Br)c1 96012571 GTMYWAPLRNAOSI-XYZCENFISA-N 354.291 1.837 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NCc1ccco1 6004358 VXWLGVYXQMVXRN-LBPRGKRZSA-N 365.407 1.853 0 40 FDAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3C)cc1 9273303 UNNFDNLLVOVIOT-UHFFFAOYSA-N 353.430 1.867 0 40 FDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 408504531 VFNVPVCYHOTZMJ-MGPQQGTHSA-N 350.440 1.630 0 40 FDAB Cc1cccc(Cc2cnc(NC(=O)Cn3ccc(=O)[nH]c3=O)s2)c1 14159386 OYMKLBOWMJZADQ-UHFFFAOYSA-N 356.407 1.531 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 6596612 RBYDJAIXTZEEOP-ZDUSSCGKSA-N 356.469 1.383 0 40 FDAB CC(C)CN(C(=O)CSc1cccc[n+]1[O-])[C@H]1CCS(=O)(=O)C1 4825518 NAFIRAXMIQACIS-ZDUSSCGKSA-N 358.485 1.084 0 40 FDAB COc1cc(OC)c(C(=O)OCC(=O)Nc2cc(C)on2)cc1OC 4870253 JETMUUNWCYIJCB-UHFFFAOYSA-N 350.327 1.804 0 40 FDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1c1nccs1 67199658 BMODUEWTOYIBDD-HZPDHXFCSA-N 372.494 1.928 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)c1C 7737531 IQDSPSSTNVYNFS-RDTXWAMCSA-N 364.467 1.350 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(C=O)cc1 7897672 RWZBEMZTEGTDNM-QGZVFWFLSA-N 369.373 1.556 0 40 FDAB Cc1cccc2nc(CNC(=O)N3CCN(C(=O)c4ccco4)CC3)cn12 69480539 PMGFUEFJNFBTNK-UHFFFAOYSA-N 367.409 1.903 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCc1c[nH]c2ccccc12 8504583 SSFSASPNCJXITC-UHFFFAOYSA-N 357.439 1.839 0 40 FDAB COc1ccc(CN2CCN(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 95958426 LNYYOONFFXMBBX-KDURUIRLSA-N 369.465 1.722 0 40 FDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCC[C@H]3CCC[C@@H]3O)c(C)c12 89499584 PMMSVVPKEKXRBV-ZBFHGGJFSA-N 374.485 1.868 0 40 FDAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCCCC2)cc1 20457545 HGWCWSXBCISIDU-UHFFFAOYSA-N 354.472 1.769 0 40 FDAB Cc1ccc(NC(=O)/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 28466232 HESQNTYXHPQUCQ-GXDHUFHOSA-N 361.423 1.803 0 40 FDAB CS(=O)(=O)[N+]1=c2ccc(=C(O)Nc3ccc(Cl)cc3)cc2CC1 409416054 UARUUAMMMWDVKV-UHFFFAOYSA-O 351.835 1.083 0 40 FDAB CCO[C@H]1C[C@@](CO)(NC(=O)CN2C(=O)CCc3ccccc32)C1(C)C 547737272 RYFNCYLDZPGHEE-JXFKEZNVSA-N 360.454 1.648 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1OC 33560617 AWBQQOSVQSHXMJ-NSHDSACASA-N 356.444 1.429 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408602231 IKEOWGPSPGHBQK-UONOGXRCSA-N 372.487 1.539 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nccs1 31816241 ZFURNZGJGHPYSP-SNVBAGLBSA-N 362.386 1.390 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)O)cc1 218111852 CBBVZULXJKEVAY-XYJFISCASA-N 361.419 1.725 0 40 FDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 72354367 JBLBWPLRWMSDJG-HNNXBMFYSA-N 369.473 1.895 0 40 FDAB CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 32947050 UJPNEAGSEOMRTF-UHFFFAOYSA-N 368.455 1.527 0 40 FDAB CCCc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40288092 YSCPAIXWOSHALE-KRWDZBQOSA-N 371.422 1.696 0 40 FDAB Cn1ncc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)c1Cc1ccccc1 564019587 KPKYLOHKVRHBLU-OAHLLOKOSA-N 355.442 1.531 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C(=O)O 226856786 UJFVQZIDMAPLPD-UHFFFAOYSA-N 367.335 1.598 0 40 FDAB CCOC(=O)[C@@H]1C[C@H]2[C@@H](O)CCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 226076611 GFHDUTRXSNSOGD-NCOADZHNSA-N 367.467 1.851 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccc1F 224345159 UQFXRXIAEIBJBE-UHFFFAOYSA-N 350.415 1.904 0 40 FDAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 223340003 WOLSGCFPPPMTLC-UHFFFAOYSA-N 370.456 1.620 0 40 FDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cc(=O)n3ccsc3n2)C1 85876362 XIGIBFSEBMFGPF-OLZOCXBDSA-N 354.435 1.537 0 40 FDAB biogenic CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccs1)C2 96056969 BORAWNDDFRWHJN-YJBOKZPZSA-N 366.483 1.864 0 40 FDAB CS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)OC[C@H](CO)O1 96531628 HQOVZMQXQFBBDM-NWDGAFQWSA-N 351.218 1.054 0 40 FDAB CCCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96228167 YRFNDXJQIDGXOD-UHFFFAOYSA-N 351.472 1.778 0 40 FDAB COCCN1CC[C@]2(CN(S(=O)(=O)c3cccs3)C[C@H]2C)C1=O 96201664 OWCNSQFEGGNKKE-IUODEOHRSA-N 358.485 1.254 0 40 FDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(F)cc1 245237737 UEXNAESLOFSZSK-GZBFAFLISA-N 369.418 1.172 0 40 FDAB Cc1cccc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)n1 247850640 ALAUPWBSMROCII-INIZCTEOSA-N 362.455 1.480 0 40 FDAB CCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nc1C 257290554 QDKMMPPGHYTCDR-HOCLYGCPSA-N 360.458 1.267 0 40 FDAB Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)cn1 257366558 QJJCPNQWNDMKIL-DAYGRLMNSA-N 354.458 1.433 0 40 FDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)CCO1 257267301 MGRDEPKUZGBSOG-INIZCTEOSA-N 356.426 1.978 0 40 FDAB CNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1 677419488 JNQSYDWRRLBOOR-DZGCQCFKSA-N 351.403 1.441 0 40 FDAB COc1ccnc(N2CCN(Cc3cnc(Br)cn3)CC2)c1 1249494641 OJPIMOCEQCFVLT-UHFFFAOYSA-N 364.247 1.965 0 40 FDAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 391819413 NQTKWEGBRHWLDT-IUCAKERBSA-N 360.819 1.313 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n[nH]1 585108521 AIVBPELPDPDNMB-SQNIBIBYSA-N 370.409 1.596 0 40 FDAB CCOc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1F 1776008840 QCWZKEQVBSJIEO-UHFFFAOYSA-N 372.462 1.758 0 40 FDAB COc1ccc(C(N)=O)c(OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 96437990 LJUJUUIMTVLZMY-CHWSQXEVSA-N 374.393 1.265 0 40 FDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccccc3Cl)[C@H]3CO[C@@H]2O3)n1 1534640188 QIIKWYCWJBIAAB-HSFUPAIVSA-N 363.845 1.969 0 40 FDAB CO[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](OC(C)=O)[C@H]1OC(C)=O 5665157 WPKMEYBOQBQROJ-IVSAIRAKSA-N 352.339 1.078 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1C 18037803 BUQVSQFHFAWWOD-AOOOYVTPSA-N 352.387 1.211 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19014980 ADUMSSBCCMKUKI-MRXNPFEDSA-N 370.453 1.941 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 19748910 CMFAHGKJLCKWKX-INIZCTEOSA-N 367.519 1.371 0 40 FDAB Cn1cccc(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)c1=O 253394138 AKALYFDSDPFQQS-UHFFFAOYSA-N 367.453 1.453 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(c3ncncc3F)C[C@@H]2C1 1888866985 PYPWHOZFBPDIPT-HUUCEWRRSA-N 362.430 1.514 0 40 FDAB COc1cccc2sc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc12 1889139421 PUZZJYPIYIEWRG-CYBMUJFWSA-N 363.439 1.369 0 40 FDAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)c1 2056226488 SFGUVEMACDYCBF-WMZOPIPTSA-N 352.406 1.282 0 40 FDAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCOCC1 2720481 NIDZZQAYACLZME-ZDUSSCGKSA-N 363.395 1.533 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352197 RTBDENCEKQXTFE-AWEZNQCLSA-N 352.818 1.758 0 40 FDAB O=C(CN1CCC(NS(=O)(=O)C2CC2)CC1)Nc1ccccc1F 1848697346 IYIFDEDXBRTDMD-UHFFFAOYSA-N 355.435 1.310 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 2055725609 IVBXBHJXUIJXIH-USXIJHARSA-N 352.456 1.570 0 40 FDAB O=C(c1ccnc(F)c1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782093 JWNFGHWSJDEBRL-UHFFFAOYSA-N 371.416 1.575 0 40 FDAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1 32644905 CYYSPZHQIIKERD-UHFFFAOYSA-N 364.379 1.759 0 40 FDAB COc1cccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 206732084 SHNYHEJZTBEPDP-UHFFFAOYSA-N 351.432 1.418 0 40 FDAB O=C(CN1CCC(Oc2ccn3nccc3n2)CC1)NCc1ccco1 2298130067 IUGMEZYMCRNQQO-UHFFFAOYSA-N 355.398 1.482 0 40 FDAB Cc1cc(=O)n2nc(CC(=O)NCCc3c[nH]c4ccc(F)cc34)nc2[nH]1 13624858 FEEJFQVBVFQIMU-UHFFFAOYSA-N 368.372 1.248 0 40 FDAB Cc1nc(C(=O)N2CCCCC2)cc(N2CCN(c3ncccn3)CC2)n1 96182847 RDMAFYUTMCGRJX-UHFFFAOYSA-N 367.457 1.528 0 40 FDAB Cn1nc(C(=O)NCCCN2CCOCC2)c(Cl)c1C(F)(F)F 20028507 LEKXWASBRIRTCY-UHFFFAOYSA-N 354.760 1.544 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2N2CCCC2)C1 40142233 YMYPDDKNMBLWKJ-ZDUSSCGKSA-N 352.460 1.292 0 40 FDAB Cc1cc(OCC(=O)NCCN2CCOCC2)c2c(C)c(C)c(=O)oc2c1 20547844 ILPHYSVHKHLFCO-UHFFFAOYSA-N 374.437 1.545 0 40 FDAB CCC(C)(C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489625 JJYKJMXZWISQHN-UHFFFAOYSA-N 361.486 1.880 0 40 FDAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081271 XIXQELOGSXOJAO-RPLLJCPNSA-N 373.380 1.973 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nnsc1Cl)C2=O 23276247 MCZJQSICWZJMGL-CLAHSXSESA-N 372.834 1.735 0 40 FDAB CCOC(=O)[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@@H]1c1cccc(Cl)c1 1574778 WLIAOFCTAHDNDF-ZYHUDNBSSA-N 350.758 1.572 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 12585804 CZONBBNZRITUMS-GJZGRUSLSA-N 355.394 1.326 0 40 FDAB COCCNC(=O)CCNC(=O)N(C)Cc1ccccc1N1CCCC1 54739414 NDLJMRIFQIDMLT-UHFFFAOYSA-N 362.474 1.581 0 40 FDAB Cc1cc(NC(=O)CCN2CCN(Cc3c(C)nn(C)c3C)CC2)no1 106142802 NVKZVOFQLVEFSK-UHFFFAOYSA-N 360.462 1.480 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 55318016 QIWAHESHJVHCMB-GHMZBOCLSA-N 358.847 1.538 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1 8507916 IBWZBBZCKQPVIY-UHFFFAOYSA-N 374.462 1.946 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NC[C@H]1COc2ccccc2O1 12695688 QISXPSHQMGPDQG-ZDUSSCGKSA-N 351.362 1.353 0 40 FDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2cccnc2)CC1 58184865 GNOLLYJWFMCXBZ-UHFFFAOYSA-N 357.439 1.464 0 40 FDAB O=C(NCC(=O)N1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1 12760755 SWSUZNSYVLTTPF-UHFFFAOYSA-N 363.421 1.832 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)NCc3ccccc3F)CC2)cn1 58213497 ZQPWOEFEAPTMRY-UHFFFAOYSA-N 373.432 1.911 0 40 FDAB CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCOC3)cc2)CC1 84697973 DYGZAXPQKOPLPW-HNNXBMFYSA-N 373.453 1.650 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)CC1 71282894 YADUHQOADMKECW-HZPDHXFCSA-N 359.426 1.650 0 40 FDAB CC(C)CN1C(=O)CC(=O)N[C@H]1S[C@@H](C(=O)N(C)C)c1ccccc1 11062288 OFIRAIDGPBWGRJ-SJLPKXTDSA-N 363.483 1.837 0 40 FDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 48375368 BMDJATBVCPQHPY-CYBMUJFWSA-N 354.428 1.441 0 40 FDAB O=C(NCCCN1CCCC1=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 36754425 UIWHOHWLDHJEMS-KRWDZBQOSA-N 369.465 1.657 0 40 FDAB Cc1coc2cc3oc(=O)c(CCC(=O)NC[C@H](O)CO)c(C)c3cc12 12894629 YCQSZFUJZKHXAJ-LBPRGKRZSA-N 359.378 1.558 0 40 FDAB biogenic COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1OC 3473095 KYCCHPVGIGIGCG-UHFFFAOYSA-N 350.371 1.629 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 3548599 JZUQSAMIRBATSD-UHFFFAOYSA-N 353.421 1.625 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)C(=O)OC)cc(C)c1C 24725674 XOFKCUKMNMLRTR-CQSZACIVSA-N 370.471 1.529 0 40 FDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)N(C)C 5020786 LFFKQPUNEIQFFX-DGCLKSJQSA-N 354.428 1.383 0 40 FDAB Cc1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cnn1C 14197903 MRPPXLGVOCCBBC-MISXGVKJSA-N 350.419 1.536 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(F)cc1 6589043 YFGXFLSLXKBPIL-IBGZPJMESA-N 369.352 1.994 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(N)s2)cc1 9494344 IXHZBQLSKRYMTH-UHFFFAOYSA-N 372.497 1.187 0 40 FDAB COCc1c(C(=O)OCC(=O)N2CCNC2=O)sc2cccc(F)c12 6851115 HVLLEKWHEVVSLC-UHFFFAOYSA-N 366.370 1.895 0 40 FDAB C[C@@H](OC(=O)c1cc(Br)ccc1N)C(=O)NC(=O)NC1CC1 9469563 OWCDBIDSPASMJN-SSDOTTSWSA-N 370.203 1.565 0 40 FDAB O=C(Nc1ccccc1)C1=C(N2CCNCC2)c2ccccc2S1(=O)=O 15081934 VWUBAEJIKLWMEK-UHFFFAOYSA-N 369.446 1.686 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccco1 9479109 UHGJASQMRNHTRZ-UHFFFAOYSA-N 356.425 1.292 0 40 FDAB CC(C)N1CCC[C@H](N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)C1=O 97011824 IFXXRXHTPIDOJS-ROUUACIJSA-N 364.534 1.403 0 40 FDAB Cc1nc(CN2CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)n[nH]1 95467077 WZAWVBUHHGKDLU-UHFFFAOYSA-N 367.417 1.044 0 40 FDAB Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)c1C(=O)O 95951322 BZICMWSJDAYHCV-UHFFFAOYSA-N 358.416 1.084 0 40 FDAB COCCCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2Cl)CC1 95949333 OFYBCSPQCZEPQX-QGZVFWFLSA-N 369.893 1.144 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O 25077510 FPJZZCWUSLAZOX-INIZCTEOSA-N 351.362 1.278 0 40 FDAB Cc1ncsc1CN1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 306138406 RWWZSWKCZUVEKH-SJLPKXTDSA-N 367.515 1.534 0 40 FDAB O=S(=O)(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 520737472 RWDCOVDUCKEVJO-UHFFFAOYSA-N 374.871 1.597 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38731040 IIVDOMIYKCVQGO-KBPBESRZSA-N 364.467 1.866 0 40 FDAB COc1ccc(OCC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 72390803 IXVNVUUFWAGKCY-GOSISDBHSA-N 368.437 1.873 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 32641396 CMRBYJKSHXCXME-ZFWWWQNUSA-N 353.440 1.115 0 40 FDAB Cc1nn(C)cc1CN1CCc2c(nc(N3CCC[C@H](C)C3)[nH]c2=O)C1 72335616 LHUOUUPWRWEBIG-ZDUSSCGKSA-N 356.474 1.606 0 40 FDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1OC 17124748 DYWYHXVCQLVZFU-UHFFFAOYSA-N 369.377 1.736 0 40 FDAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](n2nccn2)C1 238871283 MYVZAHARBCUADZ-NSHDSACASA-N 357.233 1.676 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNC(=O)[C@H](C)Oc2ccccc2)n1 224178368 CEROPOWGGWDBRR-HNNXBMFYSA-N 356.426 1.705 0 40 FDAB CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1Cl 225320093 JKCGDQUERXSDIA-ZDUSSCGKSA-N 360.863 1.397 0 40 FDAB CCN1CCC[C@H]1CNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 95474608 BQEGETREHRINEY-AWEZNQCLSA-N 374.441 1.014 0 40 FDAB O=S(=O)(c1ccccc1F)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108737 AWLJJCBOINAQGW-RHSMWYFYSA-N 355.431 1.889 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 96036102 OAOLNZQSMXXFIN-GOSISDBHSA-N 362.430 1.004 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccncc3)C[C@H]1CN(C(C)=O)C2 96056012 CFMJJAZQFNGJII-LPHOPBHVSA-N 359.426 1.345 0 40 FDAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cn1cc(S(N)(=O)=O)cn1 332197535 WKROLRFXZAFXCB-WDEREUQCSA-N 366.418 1.204 0 40 FDAB COc1ccc(C)cc1CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 257312309 UNIAZHHCILVESD-IBGZPJMESA-N 356.426 1.094 0 40 FDAB CN(C)c1cncc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257309870 UCSQYKOHCKAYMB-HNNXBMFYSA-N 353.492 1.104 0 40 FDAB CNC(=O)c1cccc([C@H]2CN(C=O)CCN2C(=O)Cc2cccs2)c1 257218428 DDCOCLPZTNMILX-QGZVFWFLSA-N 371.462 1.692 0 40 FDAB C[C@H](O)c1cccc([C@@H](C)NCCCN(CCCN)CCN(C)C)n1 68606245 RKLOQNYOPIWXFS-SJORKVTESA-N 351.539 1.388 0 40 FDAB biogenic CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccnc(C3CC3)n1)CCO2 675679560 ZPIZKPWVWNJSCO-UHFFFAOYSA-N 359.407 1.797 0 40 FDAB CCN1C(=O)C[C@H](C(=O)NCC2=CCN(C)CC2)[C@H]1c1cnn(C)c1C 613266198 MMUAURFRWPAFCN-YJBOKZPZSA-N 359.474 1.016 0 40 FDAB CN(C(=O)[C@@H]1C[C@H]1C(=O)O)[C@H](C(N)=O)c1cccc(Br)c1 647739152 CARCPWSZXOQBSZ-MXWKQRLJSA-N 355.188 1.155 0 40 FDAB CO[C@H](Cc1ccccc1)CS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 631957458 USNMFDSJLHWFNJ-UURKPOQGSA-N 364.511 1.504 0 40 FDAB CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1527452912 OUHJDXQUHGBIPE-XLNGHYISSA-N 372.531 1.853 0 40 FDAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(Cc4ccco4)c3n2)c(=O)o1 1547211140 PLQNGCKRQSLYCN-UHFFFAOYSA-N 367.317 1.773 0 40 FDAB biogenic OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC1 13010643 DRHXFNXULYVNLU-UHFFFAOYSA-N 369.404 1.417 0 40 FDAB CS(=O)(=O)NC1=NC2=N[C@@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 13122575 KISCFENOGNFEAC-HZPDHXFCSA-N 369.450 1.954 0 40 FDAB O=C(CC[C@@H]1CCCO1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13268131 JYGDTDIZDBIPAR-LBPRGKRZSA-N 355.398 1.483 0 40 FDAB FC(F)(F)c1ccc(N2CCCN(c3ccc4nnnn4n3)CC2)nc1 14139352 HDSLUMSIKVJLMU-UHFFFAOYSA-N 364.335 1.650 0 40 FDAB Fc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 909996 NHPAZBKRRYXMSP-UHFFFAOYSA-N 360.393 1.428 0 40 FDAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)NC[C@H]1CCCO1 8769619 UXPZEVUMLCHFFP-MRXNPFEDSA-N 371.437 1.745 0 40 FDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 11037448 CRPZXRJHNFMXLX-UHFFFAOYSA-N 374.418 1.470 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 575615132 FOPGDECDUFHVGX-UHFFFAOYSA-N 357.451 1.003 0 40 FDAB CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)s1 575617059 WONOLHDFUHIYJF-LLVKDONJSA-N 369.472 1.403 0 40 FDAB Cc1cn2nc(N3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1 1888890543 ISJAMKXGVGZQCU-UHFFFAOYSA-N 367.335 1.762 0 40 FDAB CCOC(=O)N1CCC(N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985885 ZQTLRNZYPDWJJJ-IBGZPJMESA-N 367.490 1.567 0 40 FDAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)C2(F)CC2)CC3)C1=O 1614933156 OGZFUSBCSAYIDI-SFHVURJKSA-N 365.449 1.198 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)CN(C)C(C)C)C2)CC1=O 1565554003 OARKQXFCGFVLOP-LJQANCHMSA-N 362.474 1.583 0 40 FDAB CCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1 4586310 NLEODFLQCWUHLT-UHFFFAOYSA-N 368.455 1.445 0 40 FDAB Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(N2CCOCC2)n1 49411066 BBQMJGCOZKENFQ-UHFFFAOYSA-N 356.426 1.644 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 40072672 OECJYMXOMAJNMR-CJNGLKHVSA-N 351.472 1.930 0 40 FDAB O=C(NCCCN1CCOCC1)c1nc(-c2c[nH]c3ccccc23)no1 20677916 MYDYWNJSWJPKPV-UHFFFAOYSA-N 355.398 1.670 0 40 FDAB CN1CCN(Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)CC1 32932854 UKNBMNLCKHXBGQ-UHFFFAOYSA-N 365.524 1.974 0 40 FDAB CCOC(=O)CCCNC(=O)C[C@H](NC(N)=O)c1ccccc1Cl 33028547 UKLAMRYPNYPWSU-ZDUSSCGKSA-N 355.822 1.899 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)N[C@H](C)Cn2cccn2)cc1 41739104 RKAXYGPMHZQADD-DNGMOHDESA-N 370.409 1.603 0 40 FDAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@H]1C 22917772 ADVMRPOAMIERTL-HNNXBMFYSA-N 372.469 1.323 0 40 FDAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCO[C@@H]2CCCC[C@H]21 47217461 XEACRMSVYQEAKZ-IAGOWNOFSA-N 364.467 1.911 0 40 FDAB COc1ccccc1N1CCN(CCCN2C(=O)[C@H]3CCCN3C2=O)CC1 641741 AAKOYVKAXOHXBZ-QGZVFWFLSA-N 372.469 1.634 0 40 FDAB Cc1c(N/C=C2/C(=O)N=C(S)N=C2O)c(=O)n(-c2ccccc2)n1C 9059140 WHEZQGYSKCKIHZ-UHFFFAOYSA-N 357.395 1.563 0 40 FDAB O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCC2)c1 1333247 XVLXFWZGQNYSJD-UHFFFAOYSA-N 370.452 1.543 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(N(C)C3CCCCC3)nc2)CC1 23653176 ODPKEMGMKOAJMT-UHFFFAOYSA-N 352.504 1.787 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4559881 KCCLQUODNNILEX-QUSNUVHPSA-N 351.399 1.116 0 40 FDAB O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2ccsc2n1 6473638 DHXMFLYVBHUHGL-UHFFFAOYSA-N 361.354 1.368 0 40 FDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 6925965 SOJOYKFGZBAKJA-KPWCQOOUSA-N 358.785 1.647 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)no1 12522226 UYALZVAMGQHJIU-SNVBAGLBSA-N 370.456 1.748 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H]1CSC[C@@H]1O 54360897 SNUHTYWYVCGUSW-HMRUYPERSA-N 364.448 1.315 0 40 FDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCc1ccc(Cl)cc1 57936885 QKXOENHMMDOVGG-UHFFFAOYSA-N 351.790 1.057 0 40 FDAB CCCNC(=O)CN(CCC)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 54327689 WRLOLNFCDYBYNN-AWEZNQCLSA-N 373.457 1.090 0 40 FDAB COc1cccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCOC3)CC(=O)N2C2CC2)c1 108377243 RUUZVEBWRNURTK-XVGQJIODSA-N 358.438 1.900 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1)c1ccccc1 44901519 RVSPXVXJLWTMCK-LBPRGKRZSA-N 350.382 1.693 0 40 FDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 58394287 IDOKHBKCIXYION-ZBFHGGJFSA-N 371.445 1.285 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CCOc2ccccc21 58312129 CXQIJPOFVUTTAF-CQSZACIVSA-N 352.398 1.506 0 40 FDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1ccc(-n2cncn2)nc1 58394289 IDOKHBKCIXYION-HOCLYGCPSA-N 371.445 1.285 0 40 FDAB COCCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 113967732 UJDQRMRMFFAJGN-UHFFFAOYSA-N 358.460 1.394 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)NCc1cccnc1-n1cncn1 48262131 VUACSJPLSVGBSB-UHFFFAOYSA-N 363.443 1.026 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)c1C 36611029 ZUWQXQUSKVYBMC-SJORKVTESA-N 362.474 1.747 0 40 FDAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 12776155 VCCQQPUWTDTQOY-CYBMUJFWSA-N 373.409 1.296 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O 109847844 IFASXLYTGITPQJ-WEVVVXLNSA-N 355.144 1.220 0 40 FDAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCCNS(C)(=O)=O 29325242 NJSNJPXIZCXOKH-UHFFFAOYSA-N 369.531 1.992 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 60354448 LFFRJWXJIMWBGE-MRXNPFEDSA-N 373.384 1.929 0 40 FDAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 6362711 JWATXLHYIHXGFN-LVDDQXARSA-N 369.464 1.268 0 40 FDAB CCn1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)nc2ccccc21 14508239 GRDKYMPMSPVIFB-UHFFFAOYSA-N 350.444 1.666 0 40 FDAB C[C@H](NC(=O)COC(=O)CN1C(=O)CCC1=O)c1ccc2ccccc2c1 84651808 BXJOEFLXWCVROJ-ZDUSSCGKSA-N 368.389 1.709 0 40 FDAB C[C@@H](NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 6649337 XXGIPHVZICWDRB-GFCCVEGCSA-N 351.362 1.957 0 40 FDAB COc1cc(NC(=O)CCn2nnc3ccccc3c2=O)cc(OC)c1 6659793 SFJWTCQJEOIMRR-UHFFFAOYSA-N 354.366 1.838 0 40 FDAB Cc1cc(C)n(Cn2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)n2)n1 6922188 VSLYVNPHDDFLBW-CYBMUJFWSA-N 356.308 1.285 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16025168 ZRSUSFADMZKWGR-CYTOFDGFSA-N 355.438 1.842 0 40 FDAB CCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@@H]1CCS(=O)(=O)C1 7718969 JQNVWBLRCOAFFA-GFCCVEGCSA-N 359.469 1.048 0 40 FDAB CN1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)CC1 19819698 AFNVEOQKLJVENH-UHFFFAOYSA-N 371.890 1.658 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C1 8319152 CVYZWXMSUWJNFE-WDEREUQCSA-N 353.444 1.449 0 40 FDAB CN(C)CCN(C)CC[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1CC(=O)O 20462936 JWFCXGMTRKASPX-ROUUACIJSA-N 367.534 2.000 0 40 FDAB biogenic,in-vitro CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 9762302 XJEAVTBPEYORIJ-UHFFFAOYSA-N 374.871 1.808 0 40 FDAB CN(C)C(=O)NCCN(C)C(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 95456699 WNQWQNLOCQHWDP-GJZGRUSLSA-N 352.479 1.145 0 40 FDAB COC(=O)CSc1nc2nc(CSc3ncccn3)cc(O)n2n1 9936018 XBGSHFPSXAHXHF-UHFFFAOYSA-N 364.412 1.177 0 40 FDAB O=C1O[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 89834901 RJVBGELSFKLPQR-ROUUACIJSA-N 364.401 1.685 0 40 FDAB Cc1cc(NC(=O)CN2CCCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 28900994 HPJXJCHTMYXKDT-AWEZNQCLSA-N 354.476 1.366 0 40 FDAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCO)c1 408707427 AQMCFSHOKGARGC-UHFFFAOYSA-N 369.421 1.362 0 40 FDAB COc1ccc(CN(C)C(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 24400124 RTQLMSBMCZWUHN-UHFFFAOYSA-N 373.434 1.392 0 40 FDAB COCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408602161 HZVHFTQFPPCJBA-ZDUSSCGKSA-N 358.460 1.151 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 306132358 LGHXIMVLEWVUPW-MSOLQXFVSA-N 365.499 1.677 0 40 FDAB CCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408596827 SJSPPHQGYZQODE-CQSZACIVSA-N 370.471 1.391 0 40 FDAB COc1ncccc1C(=O)N1Cc2ccnn2[C@H](COc2cccnc2)C1 306144728 ZNIFTSVOJJIROF-HNNXBMFYSA-N 365.393 1.958 0 40 FDAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccccc1C(F)(F)F 35597103 VJLHVRGDTDZJPW-UHFFFAOYSA-N 355.316 1.972 0 40 FDAB Cn1nc2c(c1NC(=O)CCCn1nnc3ccccc3c1=O)CSC2 79487965 FNLBIRVQLPFFPC-UHFFFAOYSA-N 370.438 1.691 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1F 64960031 HDTSIHQCOZHLEY-CQSZACIVSA-N 353.350 1.942 0 40 FDAB COc1ccc(Nc2nc(NCCCO)c3cnn(C)c3n2)c(OC)c1 32123780 IUJFTOTZGRTUKX-UHFFFAOYSA-N 358.402 1.918 0 40 FDAB biogenic COc1cccc([C@@H](NC(=O)N2CCOCC2)c2nccn2C)c1OC 72346354 USDNPAAIFBGWFH-OAHLLOKOSA-N 360.414 1.569 0 40 FDAB Cc1sc(C(=O)O)cc1CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 563454265 CXIITYKKRVTYBX-LBPRGKRZSA-N 360.501 1.858 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H](c2c(C(N)=O)sc3ccccc23)C1 72352236 KJWLTMYQCOKRSA-JTQLQIEISA-N 353.469 1.596 0 40 FDAB CCCNC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(C)C 135636384 NFCRGIWWULNDOQ-DAYGRLMNSA-N 374.485 1.528 0 40 FDAB CCC[C@@](C)(NC(=O)CNC(=O)NCc1ccc(F)cc1)C(=O)OC 40158096 PNANISAXCKKYLJ-QGZVFWFLSA-N 353.394 1.473 0 40 FDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3c(C)nn(C)c3C)cc2)o1 44920929 CURXXXGCEGGUNK-UHFFFAOYSA-N 368.397 1.650 0 40 FDAB CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 1578215625 OFIKCHYSHRSGCE-ARFHVFGLSA-N 354.458 1.817 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 45133929 AMMUAPYWTFMNST-CQSZACIVSA-N 367.877 1.776 0 40 FDAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1COc2ccccc2O1 224717419 KDKMMTPJFMKRGC-FQEVSTJZSA-N 368.433 1.975 0 40 FDAB O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1 333776223 ZHQRICDYRYVTKF-UHFFFAOYSA-N 365.437 2.273 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1ccncc1)CCN(C(=O)C(C)C)C2 96036181 DNVIDCWJJDDRHY-FQEVSTJZSA-N 358.486 1.620 0 40 FDAB Cn1cc(CN2CC[C@H]3[C@H](CC(=O)Nc4cccnc4)OC[C@H]3C2)cn1 96207416 RYJODXILMDTXBP-NXHRZFHOSA-N 355.442 1.681 0 40 FDAB CCS(=O)(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239036 KUDABXDLGDUAHE-MRXNPFEDSA-N 352.412 1.194 0 40 FDAB Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3c3cccnc3)C2)c1=O 583621036 ONPFJPRKGXZILR-JYJNAYRXSA-N 353.426 1.064 0 40 FDAB COCCCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O 247962275 FKPBSNITTRNMMP-ROUUACIJSA-N 359.470 1.387 0 40 FDAB CN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2cncn21 248112243 KKAONOGYZHEWIE-MRXNPFEDSA-N 356.426 1.803 0 40 FDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCOCC2)Cc2cccn2C1 247470424 FFNAGIPAMYRGHD-QGZVFWFLSA-N 354.454 1.810 0 40 FDAB CCc1onc(C)c1-c1cccc([C@H]2CN(S(C)(=O)=O)CCO2)n1 257321696 WCUDQRKCKRUSTG-OAHLLOKOSA-N 351.428 1.940 0 40 FDAB CCn1nccc1-c1cnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257210482 BUVDKPSIUMFSJT-ZDUSSCGKSA-N 364.475 1.346 0 40 FDAB CN(C)c1ncc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cn1 257212438 CDKOVZXVUPSZQD-GOSISDBHSA-N 356.430 1.678 0 40 FDAB Cc1cc(C)nc(N2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)CC2)n1 257299941 RSGPTZZKJXBSSR-STQMWFEESA-N 354.418 1.018 0 40 FDAB COCCN1CC[C@@]2(NC(C)=O)CN(C(C)=O)[C@H](c3ccccc3)[C@H]2C1 257254733 KEKSSNGVOJZWAL-VAMGGRTRSA-N 359.470 1.433 0 40 FDAB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](n2nccn2)C1 253471381 BXYUGTSBAGUAFL-QMMMGPOBSA-N 363.262 1.738 0 40 FDAB CN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257327214 XAMQQCCHSBPDJF-BFYDXBDKSA-N 364.373 1.739 0 40 FDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@@H](c2ccnc(O)n2)C1 257286636 PMHSLOFTACMHRR-CYBMUJFWSA-N 350.382 1.987 0 40 FDAB COCCn1cc(C(=O)N2CCN(C(C)C)[C@@H](C(N)=O)C2)c2ccccc21 257325106 WRMQTIFGFFIUST-GOSISDBHSA-N 372.469 1.308 0 40 FDAB Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccnc(O)c3)CC(=O)N2C(C)(C)C)cn1 616779428 JYUXWHQNFOHOHF-DYVFJYSZSA-N 371.441 1.639 0 40 FDAB Cn1cc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(C2CC2)n1 642892464 OXZGRNFLIKZLCS-UHFFFAOYSA-N 351.384 1.562 0 40 FDAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)CC1CC(c2ccccc2)C1 643433333 ZHZYWPRWXYJYTL-PESDSKBTSA-N 351.424 1.281 0 40 FDAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccncc3)cc2C1 656858890 GYFHFKBICSPXHV-UHFFFAOYSA-N 351.453 1.526 0 40 FDAB O=C(c1ccc2ccncc2n1)N(CCNC(=O)[C@@]12COC[C@@H]1C2)C1CC1 1688490290 WBSATTQBKXORDR-XOBRGWDASA-N 366.421 1.387 0 40 FDAB COc1ccc(N2CCN(S(=O)(=O)c3cccnc3)[C@@H](C)C2=O)cc1 72167915 LRIYXGFZVIIKAP-ZDUSSCGKSA-N 361.423 1.516 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCc2ccc(F)c(C(=O)O)c2C1 585098639 ZHDGWWOTAWSESH-UHFFFAOYSA-N 354.359 1.876 0 40 FDAB COc1ccccc1C(=O)N1CCOC[C@](O)(COc2ccccc2)C1 585272723 QIJXFTXVZYCHLU-FQEVSTJZSA-N 357.406 1.978 0 40 FDAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccc(C)cc3)CC2)CCO1 585287445 WZNAGEJOZNPBAK-LJQANCHMSA-N 361.486 1.163 0 40 FDAB Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@H]2C)n[nH]1 585098279 SWTGQNWETHVKQV-CQSZACIVSA-N 353.430 1.730 0 40 FDAB CCOC(=O)N[C@H](C(=O)NCCC(=O)Nc1ccc(C)cn1)C(C)C 70011261 ZNQZWPCWZJYOEH-HNNXBMFYSA-N 350.419 1.606 0 40 FDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)CC1 58169007 YTCBGLJCJHVTCY-ROUUACIJSA-N 359.470 1.632 0 40 FDAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCC(C)CC1 58418142 FWLDUVHDFDIWNT-VTWZXRTESA-N 364.364 1.635 0 40 FDAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2c2cccnc2)c1 74816488 CTKMDXOXGZQXTB-QGZVFWFLSA-N 354.410 1.992 0 40 FDAB CN(C)c1n[nH]c(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1 673444395 XZWLRBXDUSYAQP-UHFFFAOYSA-N 371.367 1.492 0 40 FDAB CCCCN(C)C[C@@H]1[C@H](CC)CN(C(=O)c2cc(C)nn2C)[C@@H]1CO 1772595010 OYJGSZLMSRBFIM-JFIYKMOQSA-N 350.507 1.920 0 40 FDAB CCOC(=O)C(=O)NCCOC(=O)Nc1ccc(Br)cc1 5795789 AHZUBXHRMMPMTB-UHFFFAOYSA-N 359.176 1.677 0 40 FDAB CC1(C)Oc2ccc(S(=O)(=O)NCCCn3ccnc3)cc2NC1=O 12147110 FZLIDDHIWVEFTK-UHFFFAOYSA-N 364.427 1.361 0 40 FDAB Cc1ccc(N2CCn3c2nnc(C(=O)NC[C@@H]2CCCO2)c3=O)cc1 12233729 QCKMCDNLHHCZCA-AWEZNQCLSA-N 355.398 1.007 0 40 FDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@H](C)O)C3 13623745 INALPZCOEOYQGF-JTQLQIEISA-N 361.394 1.658 0 40 FDAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16637403 DDWRZICZQMYCLH-AWEZNQCLSA-N 370.471 1.391 0 40 FDAB O=S(=O)(CCOc1ccccc1)N1CCN(c2nccs2)CC1 19373549 BCTAMWSKIJJIAI-UHFFFAOYSA-N 353.469 1.674 0 40 FDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Br)OCO2 19575228 YBKKKJNFMCMNBT-RAIGVLPGSA-N 369.259 1.817 0 40 FDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C[C@@H]2CCCO2)n1 19585336 IRUILORIRNGNBK-HNNXBMFYSA-N 355.442 1.832 0 40 FDAB COCCCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O 19589326 FKPBSNITTRNMMP-ZWKOTPCHSA-N 359.470 1.387 0 40 FDAB CC(=O)N[C@@H]1CN(Cc2cnc(C(C)C)nc2)C2(CCN(C(C)=O)CC2)C1 19704103 BRKDPDKFAUORHN-SFHVURJKSA-N 373.501 1.692 0 40 FDAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)CCc3nc(C)no3)CC2)cn1 19749737 XRLKQDLQEGZIAJ-CQSZACIVSA-N 372.429 1.220 0 40 FDAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)O 101273600 CSFKFVCTXAETKD-ZIAGYGMSSA-N 364.423 1.258 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NC3CCC(C)CC3)ccc2c1=O 3906597 ZUYLLTQIFQOYBX-UHFFFAOYSA-N 359.426 1.645 0 40 FDAB NCc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc1 643585931 DQQURGCJWOUGIQ-QKNQBKEWSA-N 352.434 1.905 0 40 FDAB O=C(c1ccc(O)nn1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585999 MNMNRPKGHRYNKC-WBHUJUFNSA-N 359.357 1.081 0 40 FDAB O=S(=O)(NCc1cnn2c1CCCC2)c1ccc2c(c1)OCCCO2 244955803 GAJPEBPJOMZJOT-UHFFFAOYSA-N 363.439 1.859 0 40 FDAB Cc1nc(N2CCC(NC(=O)c3c[nH]c(=O)[nH]3)CC2)cc(C(F)(F)F)n1 253396210 DIIWELSSISETOH-UHFFFAOYSA-N 370.335 1.219 0 40 FDAB CCCc1cc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)no1 1848357017 KKRLTRHUMJBKKH-IRXDYDNUSA-N 355.394 1.884 0 40 FDAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 5537154 JAJWZPNEVNPFOI-NSHDSACASA-N 372.377 1.987 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(Oc2nncs2)CC1 828390882 XMEUHPOBGXOJJL-UHFFFAOYSA-N 367.452 1.705 0 40 FDAB CC(C)N1CC[C@H](N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)C1=O 1888842854 RNNWTXOTQZJLPI-ULQDDVLXSA-N 355.438 1.113 0 40 FDAB O=C(c1nc[nH]n1)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888901152 CLRTUHSKAOUAOO-GFCCVEGCSA-N 368.372 1.942 0 40 FDAB COc1ccccc1NC(=O)CN1CCO[C@@H](C(=O)N2CCCCC2)C1 1888929665 NZIVGAILJRUGDA-QGZVFWFLSA-N 361.442 1.347 0 40 FDAB CCOc1ccc(Br)cc1S(=O)(=O)NCC(=O)N(C)C 8516420 AFUFXUYAGWCLFS-UHFFFAOYSA-N 365.249 1.214 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCCc2cnc3ncnn3c2)c1 238921872 UBIPKPIUBBHLAS-UHFFFAOYSA-N 359.411 1.238 0 40 FDAB Cn1cc(NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)cn1 2037915933 BUSODOJFDJVPMG-LJQANCHMSA-N 358.442 1.655 0 40 FDAB Cn1c(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)cccc1=O 1565554641 WOJXKNROQNQOBP-UHFFFAOYSA-N 367.453 1.698 0 40 FDAB COCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8893059 JFZSOOMYGABNNS-HNNXBMFYSA-N 353.488 1.544 0 40 FDAB COc1ccc(S(=O)(=O)CC(=O)N2CC(=O)Nc3ccccc32)cc1 12234840 QVIKXRGHBMLGIP-UHFFFAOYSA-N 360.391 1.454 0 40 FDAB Cn1nnc2c(SCC(=O)Nc3ccc4c(c3)OCCO4)ncnc21 13531812 HJNFWNAVAJQWJO-UHFFFAOYSA-N 358.383 1.260 0 40 FDAB COc1ccc(Cn2cc(CNC(=O)c3ccc4c(c3)OCO4)nn2)cc1 1775971557 UULXOYXYCDBWHP-UHFFFAOYSA-N 366.377 1.994 0 40 FDAB C[C@@H]1CN(S(=O)(=O)C2CC2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 503809719 AKQOZVKNUIURLE-UKPHBRMFSA-N 356.488 1.361 0 40 FDAB O=C(COc1ccccc1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19373480 YEWGLDFLEPBRDH-HNNXBMFYSA-N 352.438 1.907 0 40 FDAB COC(=O)c1ccc(C(=O)NCC2CCN(c3cnccn3)CC2)cc1 70930414 QDVBKJPRYFBKEF-UHFFFAOYSA-N 354.410 1.910 0 40 FDAB COC(=O)c1ccccc1NC(=O)N1CCC(NS(C)(=O)=O)CC1 40050643 FJBJIFYZDKGXJW-UHFFFAOYSA-N 355.416 1.019 0 40 FDAB Cc1ccc(NC(=O)CS(=O)(=O)c2nccn2C)c(Br)c1 40152191 DGDJCEWSEAIAQV-UHFFFAOYSA-N 372.244 1.903 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC(F)F)c(OC)c1 21576867 YWYARVCGQQKVTB-NSHDSACASA-N 358.341 1.160 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 41164710 ZZEDZRHVDLRHEN-AWEZNQCLSA-N 350.484 1.967 0 40 FDAB COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 21633432 LHPUFOBQSWKDEW-UHFFFAOYSA-N 364.423 1.581 0 40 FDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 102610080 OYSONYPLTCCTHY-XJBGLIRHSA-N 358.394 1.264 0 40 FDAB C[C@H](NC(=O)NC(=O)CSc1nnc(N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 103417350 SWIXODXHZFNYIA-XKNYDFJKSA-N 355.489 1.863 0 40 FDAB C[C@H](OC(=O)Cc1cccs1)C(=O)N1CCN(c2ncccn2)CC1 22486158 YGXBFHHBGBPBQN-ZDUSSCGKSA-N 360.439 1.361 0 40 FDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 899798 OJJNVXRBALHSLN-UHFFFAOYSA-N 374.462 1.983 0 40 FDAB CC[C@H](CNC(=O)CN(C)CC(=O)NCC(F)(F)F)c1ccccc1 47748474 YYDMRKSNNLZUOE-CYBMUJFWSA-N 359.392 1.907 0 40 FDAB NC(=O)NC(=O)CCn1c(CNC(=O)c2ccccc2)nc2ccccc21 12581097 PQMCZGIJVOWDGO-UHFFFAOYSA-N 365.393 1.551 0 40 FDAB O=C(c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCCC1 2958844 AOCKBYFLTPKJCU-KGLIPLIRSA-N 365.480 1.603 0 40 FDAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1C 4720913 LUAJMPQKLHGVMY-ZHHKINOHSA-N 374.477 1.488 0 40 FDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 1299702 XEZALSDKKABRTC-YMTOWFKASA-N 356.165 1.374 0 40 FDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 24763235 BNJDYPCCJBEAOU-UHFFFAOYSA-N 365.817 1.698 0 40 FDAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O 7560459 INPAXQYFAOYVLB-LJQANCHMSA-N 373.409 1.327 0 40 FDAB O=C(NCCCn1ccnc1)c1sccc1S(=O)(=O)N1CCCC1 55473344 DJPDHPDPMVVYHT-UHFFFAOYSA-N 368.484 1.549 0 40 FDAB Cc1ccc(N2N=C(C(=O)Nc3ccc(F)c(C(N)=O)c3)NCC2=O)cc1 25145585 OSHAAIHTTJDDQB-UHFFFAOYSA-N 369.356 1.121 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)N1CCC(N2CCNC2=O)CC1 56371269 WAKLKKNCCJMZPU-UHFFFAOYSA-N 370.457 1.544 0 40 FDAB CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298620 DNBHZPYBPOVLHC-LZWOXQAQSA-N 373.457 1.125 0 40 FDAB biogenic,in-vitro N[C@@H](CC(=O)O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 8701477 NXEFIRFPRVLDOA-NSHDSACASA-N 356.791 1.405 0 40 FDAB CC(C)[C@H](N)C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ncccc31)C2 100213553 OYWHLRVZZBUXQQ-RKVPGOIHSA-N 356.470 1.904 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3248162 PJPBJALINQORAC-UHFFFAOYSA-N 369.786 1.178 0 40 FDAB Cc1ccc([C@@H](CNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)N(C)C)cc1 58202852 QAOVFPLDDKMHIM-OAHLLOKOSA-N 367.409 1.365 0 40 FDAB CN(Cc1ccco1)C[C@H]1CC[C@]2(COCCN(c3ncccn3)C2)O1 107845479 RUROKPCKXOUDDN-MJGOQNOKSA-N 358.442 1.956 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CCOCC3)CC2=O)cc1 45276623 GVIZSNWTTPDTAH-CABCVRRESA-N 360.410 1.138 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1ccccc1 36358173 VWVXTODXVZZYLF-UHFFFAOYSA-N 363.377 1.350 0 40 FDAB C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 36391066 JHBLMHZZTKWMNI-KSSFIOAISA-N 360.479 1.963 0 40 FDAB COC(=O)c1c(NC(=O)NCCN2CCOCC2)sc2c1CCC2 20573476 BYAFRBRSCXZBAX-UHFFFAOYSA-N 353.444 1.477 0 40 FDAB COC(=O)[C@]1(C(C)C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420383 LPXSMCWEPXOGPJ-MOROJQBDSA-N 364.829 1.783 0 40 FDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 2443765 MHXDHWCVSGTLPM-ZDUSSCGKSA-N 362.363 1.095 0 40 FDAB CCNC(=O)COc1ccc(CNC(=O)c2cnc(C)cn2)cc1OC 48337760 KEOSEDNGMSWFJZ-UHFFFAOYSA-N 358.398 1.239 0 40 FDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102081330 CNMSUOHMSSSKFU-UEFGCPDKSA-N 364.401 1.881 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 11553635 SCHDDFRWJYQBHC-UHFFFAOYSA-N 362.455 1.312 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)n3cccc/c3=N\C(C)C)cnc21 12821346 OQOSFPIYCDCNRB-RCCKNPSSSA-N 367.409 1.294 0 40 FDAB O=C1CCc2cc(OCC(=O)N3CCN(c4nccs4)CC3)ccc2N1 25457704 AGUTVYIRPOQEQU-UHFFFAOYSA-N 372.450 1.755 0 40 FDAB CCN(Cn1nc(-c2ccc(F)cc2)oc1=O)[C@H]1CCS(=O)(=O)C1 12884887 BZFNVPIFJLVEQI-ZDUSSCGKSA-N 355.391 1.109 0 40 FDAB COc1cc(N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)ncn1 306123036 ACZKSORLJDTKGW-AWEZNQCLSA-N 351.414 1.825 0 40 FDAB COc1ccccc1NC(=O)CNC(=O)N1CCN(c2ccccn2)CC1 49551226 DGBJMBSYXGUKRF-UHFFFAOYSA-N 369.425 1.561 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccco1 14139853 JNPXMBQVNHIBJD-BUXKBTBVSA-N 369.377 1.687 0 40 FDAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 9302681 MYTHDDPRIDIHPS-AXVVYFOYSA-N 367.405 1.210 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCOCC2)cc1 24045853 MFSIECBTTKHVSW-ZDUSSCGKSA-N 355.460 1.033 0 40 FDAB CCCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6979170 KIQZYJMUBVVWOD-GFCCVEGCSA-N 355.441 1.501 0 40 FDAB COc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1OC 7717381 FYXZBYHGGFXLQP-UHFFFAOYSA-N 367.405 1.773 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2c(F)cccc2Cl)NC(=O)NC1 18265619 ITAWWBHUVDGYBQ-UHFFFAOYSA-N 370.764 1.695 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnn(-c2ccccc2)c1=O 8940790 RJIDNAVYLSVEFS-UHFFFAOYSA-N 369.381 1.434 0 40 FDAB COc1ccc([C@H](CNC(=O)c2cc(C)ncn2)N2CCOCC2)cc1 89600823 RHDNGBBNJJNGJU-SFHVURJKSA-N 356.426 1.597 0 40 FDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2nnc3ccccn23)c1 75568052 CEHAHTYPVDGXOC-UHFFFAOYSA-N 359.411 1.475 0 40 FDAB CCO[C@@H]1C[C@@](CO)(NC(=O)CN2C(=O)CCc3ccccc32)C1(C)C 547737275 RYFNCYLDZPGHEE-UZLBHIALSA-N 360.454 1.648 0 40 FDAB CCOC(=O)c1cn([C@@H]2C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)nn1 38534504 OBFAHFOFBSEPOF-PWSUYJOCSA-N 368.390 1.178 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccccc2F)c1 31645792 RQDBYNQAOSBEPE-UHFFFAOYSA-N 366.414 1.901 0 40 FDAB CN1CCN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)CC1 225952132 YXRZDGAJTHXKFE-AWEZNQCLSA-N 359.879 1.094 0 40 FDAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 40039678 CVZHZMVPYGLALN-CYBMUJFWSA-N 357.453 1.211 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)NCc2nnc3n2CCCC3)CC1=O 41139512 OWMKUONZEJKTMU-CYBMUJFWSA-N 369.425 1.292 0 40 FDAB CCCNC(=O)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225424276 CJJQPVSYJLFDHE-UHFFFAOYSA-N 368.503 1.378 0 40 FDAB biogenic,in-vitro Cn1nc(-c2ccccc2)cc1C(=O)N1CCO[C@H](Cn2cccn2)C1 580933058 MMILZSYAKVHTRP-INIZCTEOSA-N 351.410 1.825 0 40 FDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccc(F)cc1 257279113 OFASBFCUVRFMFQ-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CN(C)CC(=O)N1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 257284741 PECCJSDBSYHFFL-SFHVURJKSA-N 368.437 1.309 0 40 FDAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)c1 257279230 OFQYHPKPBLUHMM-KRWDZBQOSA-N 356.426 1.653 0 40 FDAB Cc1ccc(C(=O)NC[C@]2(O)C[C@H](c3cccc(F)c3)O[C@H](C)[C@H]2O)cn1 257342101 ZNCKZMDGFROGTF-LCPZFUNLSA-N 374.412 1.901 0 40 FDAB CC1(C)COC(=O)N1c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257273742 NIAROKDYDPDDAE-GFCCVEGCSA-N 353.444 1.956 0 40 FDAB CCN1C(=O)N(CC(C)C)C[C@@]12CN(Cc1nccs1)CC[C@@H]2O 257208640 BMZAKCZJHYCGBG-WMLDXEAASA-N 352.504 1.862 0 40 FDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257296030 RAXAXMCMXMOVTD-IBGZPJMESA-N 357.458 1.816 0 40 FDAB CCn1cc(C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c(C2CC2)n1 630199264 XXQXZOLAQKJTNY-LBPRGKRZSA-N 358.402 1.547 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@H](N)CC1 639026205 DYBQFUJVOBQHAS-HDJSIYSDSA-N 368.503 1.199 0 40 FDAB COc1ccc(Br)c(CN2CCC[C@](O)(CC(N)=O)C2)c1 643746542 OYMPRUKBYKNNOH-HNNXBMFYSA-N 357.248 1.660 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)COc1ccc(F)cc1Cl 643953066 JPNHVYJVWZKNKK-MRXNPFEDSA-N 358.797 1.612 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cncc(F)c1 657201715 YTRHFFRJZUMFPW-XHDPSFHLSA-N 354.407 1.400 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)CN1CC1CC1 575402705 AWUAOPJOQLRGNA-KRWDZBQOSA-N 357.454 1.046 0 40 FDAB Cc1ccccc1CN1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 585103281 OCAASEMHBGCICX-QGZVFWFLSA-N 373.478 1.853 0 40 FDAB Cn1c(=O)nc(O)c2nc(/C=C(\O)c3cc4ccccc4s3)c(=O)[nH]c21 585152474 MXWIWTOYUONOBC-YFHOEESVSA-N 368.374 1.993 0 40 FDAB Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCOCC3)C2)ccc1F 585282176 HUOYWOBSPRHPBY-LJQANCHMSA-N 369.433 1.118 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1ccn2cncc2c1 685942208 OLKRAFYUPFXFEF-IUODEOHRSA-N 354.414 1.700 0 40 FDAB COc1cccc(COCC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1 46745312 FPRIYJDLOXJUIT-ARFHVFGLSA-N 350.459 1.826 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1F 5290115 LWYPMUUWHXBNKY-NSHDSACASA-N 362.382 1.996 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(C(=O)O)cc1 12696104 GJDXZZIJGHZVAJ-GASCZTMLSA-N 356.378 1.342 0 40 FDAB O=C(CCn1cccn1)NCCc1cc2nc(-c3ccncc3)ccn2n1 13268314 NVBIAVBQEHSNQF-UHFFFAOYSA-N 361.409 1.737 0 40 FDAB CC(C)c1nc2n(n1)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 18029837 JURPTENLVWXHDW-NSHDSACASA-N 357.370 1.695 0 40 FDAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCN(c2ccccc2F)CC1 19714141 FFJKOHSKALBFBA-KRWDZBQOSA-N 371.460 1.835 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cccc2ccoc12 643704296 OQFQGPWOLZSGJC-INIZCTEOSA-N 352.412 1.349 0 40 FDAB O=C(Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1)NCC1CCCCC1 12422905 MIFDASRDWMBQIV-CYBMUJFWSA-N 364.471 1.599 0 40 FDAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC(Oc2ncccn2)CC1 244947602 DNWYHMILUMOTIG-MRXNPFEDSA-N 370.409 1.723 0 40 FDAB O=S(=O)(NCC1CCN([C@H]2CCOC2)CC1)c1ccc2c(c1)CCO2 575608497 SZBXLYKBBDQWJL-INIZCTEOSA-N 366.483 1.401 0 40 FDAB CCOc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5873937 LRNFGPZMSKDORR-UHFFFAOYSA-N 374.393 1.676 0 40 FDAB Cn1c(O)nc(N2C[C@@H]3CN(c4nc5ccc(F)cc5o4)C[C@H]3C2)cc1=O 1888888179 NPYUWLXWKYICGZ-GHMZBOCLSA-N 371.372 1.339 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]2C1 1614928413 DCLXYTOECDJTHT-FHOXXKOASA-N 359.426 1.045 0 40 FDAB CN(C(=O)c1cccnc1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523508 PTPNPDLCDCXENM-UHFFFAOYSA-N 363.425 1.748 0 40 FDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3cccs3)CC2)C1 1565548151 UAEXKYUXEXAEIW-LBPRGKRZSA-N 358.485 1.451 0 40 FDAB CCS(=O)(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 2972687 BRJQHSGBDMQDFB-IBGZPJMESA-N 374.510 1.884 0 40 FDAB Cc1c(Cl)cccc1NS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O 4337749 BELNTKXWSQFXGN-UHFFFAOYSA-N 357.819 1.155 0 40 FDAB NC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 11856899 HLLSUQORQPXGJR-UHFFFAOYSA-N 374.368 1.695 0 40 FDAB COCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1 2055734565 JYZAMUXASMWCTR-UHFFFAOYSA-N 351.422 1.770 0 40 FDAB Cc1cccc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734528 GXPVYKSNRGWMDV-AWEZNQCLSA-N 356.426 1.498 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772445 JIUDWEWQFPWROK-OAHLLOKOSA-N 360.380 1.925 0 40 FDAB COc1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1 2086854868 ZZDNLDOZWZJVSC-UHFFFAOYSA-N 353.304 1.752 0 40 FDAB O=C(CN1C(=O)CCC1=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983253 ADTLVTDVWXUTNK-UHFFFAOYSA-N 373.409 1.163 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 40071947 OAHDHZLPAMKVOA-SFHVURJKSA-N 373.497 1.844 0 40 FDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1 100519547 RIMPTBZGDBXUFE-UKJIMTQDSA-N 361.195 1.901 0 40 FDAB Cc1cccc(N2C(=O)C[C@@H](SC(=S)N3CCOCC3)C2=O)c1 100720640 BWXYLVUKYUBYFP-CYBMUJFWSA-N 350.465 1.977 0 40 FDAB CC[C@@H](C)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773637 HRZJVKHSEXDYCB-HYVNUMGLSA-N 350.484 1.916 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 32914969 HOKSYFGUYMDWQA-PHIMTYICSA-N 362.398 1.134 0 40 FDAB CCN(CCCNCc1c[nH]nc1-c1ccc(F)cc1)S(C)(=O)=O 54180555 KYPDKHVDBIJKHG-UHFFFAOYSA-N 354.451 1.977 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(Cc2nccn2C)C2CC2)c1 47282002 UVSPFTTZEROXGO-UHFFFAOYSA-N 351.428 1.791 0 40 FDAB COC(=O)C1=NC(=N)N=C(C(=O)OC)C1(C)C(=O)c1ccc(Cl)cc1 1588102 MXGOUXDIPIGZKY-UHFFFAOYSA-N 363.757 1.705 0 40 FDAB CCn1c(=O)n(CC(=O)N2CCC[C@H](c3nc(C)no3)C2)c2ccccc21 54662604 JMABUPRDBNTEKG-AWEZNQCLSA-N 369.425 1.921 0 40 FDAB Cc1cc(O)nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n12 4249901 BOLQOOYKNQFAAO-UHFFFAOYSA-N 373.394 1.640 0 40 FDAB CCc1cc2c(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ncnc2s1 24059308 NVZHFHZSJWJKMH-GFCCVEGCSA-N 366.512 1.563 0 40 FDAB Cc1cccc(NC(=O)CN(C)C(=O)c2nc3nccc(C)n3n2)c1C 24863334 HTLICLNWBCNBRG-UHFFFAOYSA-N 352.398 1.760 0 40 FDAB Cc1cccc(C)c1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 43357870 SJFNFXLJMPBDKJ-GASCZTMLSA-N 369.487 1.864 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccccc3)nc2s1 8605393 UVPYBSMZTLLGDM-UHFFFAOYSA-N 372.406 1.187 0 40 FDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCn1c(=O)oc2ccccc21 26006671 SRLHYRIRTAKUQN-HXUWFJFHSA-N 363.373 1.988 0 40 FDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(N2CCNC2=O)cc1 56953311 HLJCUZGTSBQGAX-MRXNPFEDSA-N 355.398 1.844 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9547598 LVIJWHVONNVWCP-SJORKVTESA-N 366.417 1.991 0 40 FDAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCC1 12690921 SQLXGAXUMCNMGA-UHFFFAOYSA-N 366.483 1.655 0 40 FDAB Cn1c(COc2ccc(Cl)cc2Cl)nc2c1c(=O)[nH]c(=O)n2C 58168657 NVASQJPZOXEFQT-UHFFFAOYSA-N 355.181 1.846 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CNC(=O)c1ccc(O)cc1 58306510 IYXALRSOJYHCMX-UHFFFAOYSA-N 369.421 1.836 0 40 FDAB O=C(c1ccncc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897548 MGIXEPBSSJHLKH-SJORKVTESA-N 355.369 1.473 0 40 FDAB biogenic,in-vitro C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 11296114 GQCAFWWPVRBGTG-CYBMUJFWSA-N 355.373 1.788 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccc(C)cc2)n2ncnc2N1 54277964 RXTMGHOLSTUHML-KRWDZBQOSA-N 352.442 1.649 0 40 FDAB CCCCn1c(N)c(N(CCC)CC(=O)N2CCCCC2)c(=O)[nH]c1=O 11349476 HDRHORFTCOXLJT-UHFFFAOYSA-N 365.478 1.148 0 40 FDAB NS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)c(F)c1 60496365 NXAMJCVYRAMAEG-UHFFFAOYSA-N 350.437 1.474 0 40 FDAB COc1ccc(CNC(=O)c2cccc(-n3nnnc3C)c2)cc1OC 71284955 JKTIQHAEZIGWNC-UHFFFAOYSA-N 353.382 1.918 0 40 FDAB Cn1c(=O)c2c(nc3[nH]c(-c4ccc(Br)cc4)cn32)n(C)c1=O 13512847 PEZUABSLMNGILG-UHFFFAOYSA-N 374.198 1.643 0 40 FDAB COc1cc(CNC[C@@H](C)O)ccc1Oc1nnnn1-c1ccccc1 13844665 UWSFGUPOCTZMPJ-CYBMUJFWSA-N 355.398 1.934 0 40 FDAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 14171177 QHWOBXWKMRTMRW-UHFFFAOYSA-N 358.416 1.688 0 40 FDAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 14115393 NCZDGDZHVVNHBQ-INIZCTEOSA-N 357.410 1.689 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(c2ccccc2)=NN1c1ccccc1 4730198 NNQTVRZHUPATHR-UHFFFAOYSA-N 372.388 1.979 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(O)cc2)n1 9514310 RSKMGYXIWJXPPB-UHFFFAOYSA-N 364.379 1.750 0 40 FDAB Cc1ccc(CNC(=O)CCNS(=O)(=O)c2c(C)noc2C)cc1 16645122 YVLVNHBNEFQAAH-UHFFFAOYSA-N 351.428 1.585 0 40 FDAB CC[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965005 PHRDWEKBYXEYQK-ZDUSSCGKSA-N 370.471 1.919 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NCc1ccco1 62521182 ZFKPHLADHODPAX-CQSZACIVSA-N 357.414 1.211 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccc(C)cc2)NC(=O)NC1 18332997 BWSFASPKPWPICG-LBPRGKRZSA-N 362.382 1.436 0 40 FDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CC(F)(F)C1 306132250 LCYNXXAUDHMFQZ-HNNXBMFYSA-N 354.401 1.534 0 40 FDAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)NC1CCCCCC1 8986655 BBGNREPNALCWBS-UHFFFAOYSA-N 351.428 1.175 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNC(=O)COc2ccccc2C)cc1 8936439 KNWIZCCGXXZCJC-UHFFFAOYSA-N 362.451 1.739 0 40 FDAB COc1ccc(S(=O)(=O)c2cnc3c(C(=O)O)cccn3c2=O)cc1 98212147 YBCSXYPNOUDKCJ-UHFFFAOYSA-N 360.347 1.234 0 40 FDAB CN(C(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)C1CC1 95999744 OETOYFZRGHOAQG-IBGZPJMESA-N 370.497 1.420 0 40 FDAB O=C([C@@H]1CCCN(c2ncccc2Br)C1)N1CCOCC1 362900665 DTTNBSBQTVBRQH-GFCCVEGCSA-N 354.248 1.919 0 40 FDAB O=C(Cn1ccc2cc(Br)ccc21)N1CCN(CCO)CC1 71283688 MIVITDIESLYUHS-UHFFFAOYSA-N 366.259 1.540 0 40 FDAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N[C@@H]3CO)cc2)cc1 72321047 RKXCWSKVOPKINB-SJLPKXTDSA-N 356.378 1.496 0 40 FDAB biogenic,in-vitro Cc1ccc(CNC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)nc1C 568044110 VFCHEAUKUHJTEJ-QGZVFWFLSA-N 370.457 1.838 0 40 FDAB O=C(NCc1ccccc1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514289078 SLUVZKSMYZZAJB-HRCADAONSA-N 369.412 1.345 0 40 FDAB biogenic,in-vitro O=C(c1ccc(O)nc1)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 333104845 FMFUEPMAPYSZLC-KRWDZBQOSA-N 367.405 1.465 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)c1scnc1C(F)(F)F)CC2 582914285 DFGGXTVGVGKHFI-SSDOTTSWSA-N 361.349 1.645 0 40 FDAB CCCCS(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259400 XXHXTBAVWSKJRC-UHFFFAOYSA-N 354.476 1.341 0 40 FDAB Cn1nnc2c1[C@H](COCc1ccncc1)CN(Cc1nccs1)C2 96060749 NKISGWBKFWMLFM-AWEZNQCLSA-N 356.455 1.983 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(C(=O)N3CCCC3)C2)C1 96225831 YNIPTBPSBULYAQ-SFHVURJKSA-N 357.414 1.134 0 40 FDAB COCC(=O)NCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247851207 RPGBEBAPHKUQHB-OAHLLOKOSA-N 372.425 1.321 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 247824483 IZJMCEGIUSRMOL-MRXNPFEDSA-N 353.426 1.684 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CCC(N2C(=O)CNC2=O)CC1 253404528 RCHHZPQVVAFNHH-UHFFFAOYSA-N 353.781 1.564 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H](N(C)C)[C@H]2O)c1 257270505 MUMWTZTYYMRSGG-YRXWBPOGSA-N 371.437 1.331 0 40 FDAB COCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257304654 SMOIQHKZAOMSJK-IBGZPJMESA-N 356.426 1.384 0 40 FDAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 253537461 AODPIQQILQLWGS-SYTXZEPQSA-N 366.498 1.653 0 40 FDAB CCn1cncc1CN1[C@H]2CC[C@H]1c1cnc(N3CCC[C@@H](O)C3)nc1C2 257238381 HKSNBILZYHGOJZ-GMBSWORKSA-N 368.485 1.916 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccc(F)cc1 257279112 OFASBFCUVRFMFQ-IBGZPJMESA-N 358.417 1.648 0 40 FDAB CC1(C)CN[C@H]1C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 638606715 XVEZGLOGVPCUPP-INIZCTEOSA-N 362.474 1.743 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C 660819854 SMDBXCUMLRWYJC-KIEVNACLSA-N 368.455 1.051 0 40 FDAB COCCCNC(=O)Cc1noc(-c2cc(OC)nc3ccccc23)n1 664841177 DQDXMMUEVHUODM-UHFFFAOYSA-N 356.382 1.989 0 40 FDAB CN1CCN(C(=O)CN2CCCCCCC2=O)CCC12CCOCC2 1615589116 KJTCXMGNSZQTAW-UHFFFAOYSA-N 351.491 1.492 0 40 FDAB O=C1NCCO[C@@H]2CCCN(C(=O)c3cc(O)nc4ccc(F)cc34)[C@@H]12 1261913222 NIKUOKIZQJHKCU-GDBMZVCRSA-N 359.357 1.199 0 40 FDAB Cn1cc(CN2CC[C@@H](N[C@@H]3CCc4ccc(F)cc43)C2)c(C(N)=O)n1 1775961701 TUSPOTDONCPRQP-NVXWUHKLSA-N 357.433 1.510 0 40 FDAB Cn1cnc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)c1 96025844 OIXWCUWRGCPYPT-UHFFFAOYSA-N 354.501 1.672 0 40 FDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)c1 575406692 QLOKQRZDEKPJHI-YQVWRLOYSA-N 367.449 1.851 0 40 FDAB Cc1cc(C)c(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)c(C)c1 5378774 VDSMFPKQASZNHI-UHFFFAOYSA-N 369.468 1.565 0 40 FDAB CSc1nc(C)c(CC(=O)NCCN2CCc3ccccc32)c(=O)[nH]1 12148435 XVJIPZDUQSLZEC-UHFFFAOYSA-N 358.467 1.522 0 40 FDAB COc1ccccc1OC[C@H]1CCCN(S(=O)(=O)c2ncn[nH]2)C1 12362643 NCCUIUBYLOLUOZ-LBPRGKRZSA-N 352.416 1.293 0 40 FDAB O=C1SCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13653637 KWAZDZBUNVTKHC-OCCSQVGLSA-N 368.480 1.236 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)OCc3ccc(C(N)=O)cc3)n2)cc1 16555869 ZQEYRCOHRHXDNQ-UHFFFAOYSA-N 351.366 1.491 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3noc(C)n3)cc2C[C@@H]1C 19286079 RHLIYWVQOXWSGG-VIFPVBQESA-N 350.400 1.154 0 40 FDAB Cn1ccnc1-c1cnc(NCCN2CCOCC2)nc1-c1ccco1 19291795 YCAPGQDKNFVFCL-UHFFFAOYSA-N 354.414 1.881 0 40 FDAB COc1ccc(S(=O)(=O)CCNC(=O)c2cn3cccc(C)c3n2)cc1 19719203 ANQBCZOXCUPTIY-UHFFFAOYSA-N 373.434 1.855 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)c2ccc(Br)cc2O)CC1 156722611 OQUPDHBCCDJZLT-LBPRGKRZSA-N 357.248 1.683 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](Oc2cnccn2)C1 225474403 LNWHLJGRJZTPQP-SFHVURJKSA-N 368.437 1.997 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(F)(F)F)CCCC2)C1 624956961 COGLMIPOOSYVGO-LLVKDONJSA-N 371.425 1.832 0 40 FDAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1Cc1cccs1 9614246 YWSGQTJFYNLKQZ-UHFFFAOYSA-N 362.440 1.170 0 40 FDAB O=C(Cc1ccccc1F)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888853309 ZVTXJNLEPKHZHN-BETUJISGSA-N 358.373 1.164 0 40 FDAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)N2CCCC2)C(=O)N1 1888953173 VOMUTLLZGBZTAP-KMFMINBZSA-N 366.439 1.202 0 40 FDAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2 238837332 HAMNNQXPGFCVGL-YIONKMFJSA-N 370.405 1.629 0 40 FDAB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12 1565550771 FLXYHNKMMCOOHE-QRVBRYPASA-N 361.486 1.804 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)CC1(O)CCC1)C2 1565555018 NYLKIBWAHNLAOV-KRWDZBQOSA-N 363.483 1.303 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 1565555768 HBARRJNHPFAXQP-UHFFFAOYSA-N 358.486 1.763 0 40 FDAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCCCC1 4143381 UQVKZNBOZFPTFH-UHFFFAOYSA-N 370.388 1.188 0 40 FDAB CCn1cc(CN2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)cn1 2055771638 OEGOSCRTBJZAEX-UHFFFAOYSA-N 356.474 1.617 0 40 FDAB CCn1cc(CN2CCC[C@@](C(=O)NCC3CC3)(n3ccnc3)C2)cn1 2055772540 SCOIIUBBAMMXHJ-LJQANCHMSA-N 356.474 1.617 0 40 FDAB O=C(Nc1cccnc1)[C@]1(F)CCN(C2=NS(=O)(=O)c3ccccc32)C1 2086865092 JFHMQDNLIQUILI-KRWDZBQOSA-N 374.397 1.583 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O 4325571 MTYWHDAXTUNFGG-UHFFFAOYSA-N 358.375 1.373 0 40 FDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccc(F)cc1F 30586114 TVZLEYXFFGFGKT-SNVBAGLBSA-N 359.332 1.845 0 40 FDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N(C)C 40121212 LECZFKCKMUQSRW-DZGCQCFKSA-N 361.442 1.283 0 40 FDAB COc1ccc(CNC(=O)c2ccc(Cn3cnnn3)cc2)cc1OC 40267725 OVFQWCZZMBBWNO-UHFFFAOYSA-N 353.382 1.669 0 40 FDAB CCCNC(=O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 50719921 DTXAZCCJRDZGKO-AWEZNQCLSA-N 371.441 1.829 0 40 FDAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)cc1 31469987 YRTGYSFJRCAJDV-UHFFFAOYSA-N 368.349 1.051 0 40 FDAB Cc1c(C(=O)N[C@H](C)Cn2ccnc2)sc2nc3n(c(=O)c12)CCC3 47264958 QMHQVRKXVWDOHI-SNVBAGLBSA-N 357.439 1.728 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 9053987 UGVVMCIMTPBDQM-SHQCLWGWSA-N 366.439 1.625 0 40 FDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(Cc2ccccc2F)CC1 23248991 BRAMQCQKXKAEEV-CQSZACIVSA-N 364.465 1.956 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015951 NMBDFSAOEQOEBA-UHFFFAOYSA-N 369.425 1.312 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccncc1 61720512 XBQCGPCDGMHBPO-INIZCTEOSA-N 367.453 1.618 0 40 FDAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1-n1cnnn1 1325517 UQRHUCJKUSNBND-DGCLKSJQSA-N 351.432 1.528 0 40 FDAB N[C@@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 4530748 BOSPELTZTUYCQA-RABCQHRBSA-N 357.406 1.731 0 40 FDAB O=C(NC[C@H]1CCCOC1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 55924440 MRBZFJYJNFPWBN-GFCCVEGCSA-N 356.419 1.377 0 40 FDAB O=C(CNC(=O)NCCc1cccnc1)Nc1ccc(F)c(F)c1F 26311998 PUCIMIBQOGSZEA-UHFFFAOYSA-N 352.316 1.979 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1C 57985827 NPBJXZRBFXIRGP-AWEZNQCLSA-N 367.471 1.572 0 40 FDAB CCC(=O)NCC(=O)NCCC(=O)Nc1cc(Br)ccc1C 58227548 GSHQBYXRDFQMNP-UHFFFAOYSA-N 370.247 1.729 0 40 FDAB CN(CC(=O)NCCc1cc(F)cc(F)c1)S(=O)(=O)c1ccccc1 58201850 QQVUICFMLJTNSK-UHFFFAOYSA-N 368.405 1.944 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 12697679 SWVCAPYULVLXDC-HNNXBMFYSA-N 367.308 1.667 0 40 FDAB Cc1cc(=O)c(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c[nH]1 95473702 OMNGIUSZTAAZMV-UHFFFAOYSA-N 373.428 1.982 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 45096729 SHHXXZXRFFEBFY-GFCCVEGCSA-N 358.467 1.716 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 10515658 CBMWOLXSEVOVII-UHFFFAOYSA-N 362.407 1.976 0 40 FDAB COC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 28329923 OBHWQWVEDAVBKQ-UHFFFAOYSA-N 373.453 1.244 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C(=O)OC)c(C)o1 28924664 KTKTVMTYXZSSBE-QGZVFWFLSA-N 371.393 1.711 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@H]1CCCc2ccccc21 100290508 UDICIPZKIVPQEI-NZMUHZMNSA-N 350.418 1.987 0 40 FDAB COc1ccc(S(=O)(=O)c2nnn3c2nc(O)c2ccccc23)cc1 2713074 KOTVNFCTLTWERT-UHFFFAOYSA-N 356.363 1.825 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1 47046965 HPVVROYOXRZBCI-UHFFFAOYSA-N 359.411 1.812 0 40 FDAB Cc1ccc(-c2nnc(SCn3nnc4ccccc4c3=O)n2N)cc1 3520030 HPEPMXAJMLJMTE-UHFFFAOYSA-N 365.422 1.822 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCNC(=O)c2ccccc2OC)CC1 13010465 RQYUOAGVHZCNOF-UHFFFAOYSA-N 362.426 1.617 0 40 FDAB COCc1nc([C@@H]2COCCN2C(=O)COc2c(C)cccc2C)no1 96001036 HWYOSFCSBUSZQD-AWEZNQCLSA-N 361.398 1.812 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5023868 PPXUCTCQESXFSN-INIZCTEOSA-N 363.757 1.123 0 40 FDAB CCCS(=O)(=O)N[C@@H]1CCN(CC2CC2)S(=O)(=O)c2ccccc21 306128375 GYQXCIBQASVZNM-OAHLLOKOSA-N 372.512 1.862 0 40 FDAB CC(C)c1n[nH]c(SCc2nc3ccccc3c(=O)n2CC(N)=O)n1 14164816 KCMVYZHWDXBEGY-UHFFFAOYSA-N 358.427 1.416 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1 14199270 LQJMFAZGGCKZCG-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 9337345 LEAFOOYGICPYNM-UHFFFAOYSA-N 364.467 1.912 0 40 FDAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(-n2cnnn2)c1 6880420 IGEHQVQVVJCTEH-UHFFFAOYSA-N 367.365 1.891 0 40 FDAB COCCNC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N 67246139 HVWOIMXSSHNQGX-UHFFFAOYSA-N 368.846 1.685 0 40 FDAB Cc1nc(C)c(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)s1 7401730 IISANPPSWVUBEW-UHFFFAOYSA-N 361.427 1.056 0 40 FDAB COc1ccc(CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 15858496 FSNIUZIKTXYSMO-UHFFFAOYSA-N 374.418 1.692 0 40 FDAB biogenic CCc1ccccc1NC(=O)CNC(=O)CN1C(=O)COc2ccccc21 17864289 CDPLGUUJJPCRHI-UHFFFAOYSA-N 367.405 1.729 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc2c(cc1Cl)OCO2 8769961 BUWJTDKMHKKMPN-UHFFFAOYSA-N 358.741 1.812 0 40 FDAB COCCNC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C 8977636 HKZDPDQALJJRTO-UHFFFAOYSA-N 355.441 1.629 0 40 FDAB CN1CCC(Cn2nc(I)c3c(N)ncnc32)CC1 85397209 JNQMKLDOOMLCNE-UHFFFAOYSA-N 372.214 1.355 0 40 FDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409289245 LTACZUYLQZYWHP-DRMAHVMPSA-N 373.361 1.080 0 40 FDAB COC(=O)c1cnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 553246226 MGORXDWKRNCWAE-UHFFFAOYSA-N 360.801 1.879 0 40 FDAB CN(C)CCCNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 32070620 LVUFAZHMEANVOB-UHFFFAOYSA-N 373.413 1.215 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cnn(C)c3)CC2)C1 76063002 LEFCFHHEPSNVLN-GJZGRUSLSA-N 362.478 1.074 0 40 FDAB CC(C)Cn1cc2c(n1)C1(CCN(Cc3cnn(C)c3)CC1)CN(C)C2=O 306133385 MKBHTGZTKOUHAS-UHFFFAOYSA-N 370.501 1.892 0 40 FDAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN2CCOCC2)nn1 72341639 DRKCUKHEXKTFLH-QGZVFWFLSA-N 361.421 1.479 0 40 FDAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(C)=O)CCO1 72389007 HKTUXFCSPXKYLE-FQEVSTJZSA-N 353.422 1.655 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1F 30853004 HSSXZGQNXFMHLC-UHFFFAOYSA-N 355.391 1.348 0 40 FDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218640256 SGWAMMSXIIRHQT-DVOMOZLQSA-N 358.435 1.558 0 40 FDAB O=C(NCCN1CCOCC1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565524196 AOVFUISDHUMOSP-UHFFFAOYSA-N 357.435 1.805 0 40 FDAB COc1ccc(OC)c(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 30501401 PEJMNUGKBXIAHA-UHFFFAOYSA-N 352.412 1.164 0 40 FDAB O=C(NCc1cccc(-n2ccnc2)c1)N1CCOC[C@H]1c1nc[nH]n1 560525506 TXRZDSSNPVHSIA-HNNXBMFYSA-N 353.386 1.274 0 40 FDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 40025576 MITFXNXGJQLBJD-XARUKTKKSA-N 352.456 1.956 0 40 FDAB Cc1csc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 40024151 XOKUTHDKXUMATD-UHFFFAOYSA-N 364.452 1.197 0 40 FDAB COc1cccc(S(=O)(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)c1 96077017 KSNYDWOKGVNPIW-KRWDZBQOSA-N 352.456 1.861 0 40 FDAB COc1cc(N2CC[C@]3(CCCN(C(=O)c4cnccn4)C3)C2)ncn1 96158201 XFTPPHLXMNZBRR-GOSISDBHSA-N 354.414 1.408 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2 96059484 YQCQUNDMOIYWSE-UHFFFAOYSA-N 350.426 1.562 0 40 FDAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N1CCCCC1 96113009 UQRIFSVQTHYWGG-ZWKOTPCHSA-N 359.470 1.959 0 40 FDAB biogenic,in-vitro O=C1CN(c2ccnc(C(=O)N3CCC(CC(F)(F)F)CC3)c2)CCN1 331557728 OCLFTGDHXYVPJH-UHFFFAOYSA-N 370.375 1.822 0 40 FDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1 96043500 YTABLIDMGIUYFV-BZUAXINKSA-N 356.430 1.076 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4cccnc4)C3)C2)cn1 96205936 STVGDUVEJWKASR-IEBWSBKVSA-N 355.442 1.369 0 40 FDAB CN1C[C@@]23CN(C(=O)Nc4cccc(Cl)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146078 PIWXOEIKVSSSMI-VNHYZAJKSA-N 371.846 1.359 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(S(=O)(=O)C2CC2)C3)n1 247857498 DFHCTHVRKXRQRF-HNNXBMFYSA-N 352.456 1.632 0 40 FDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccc(F)cc3)[C@@H]2C1 248029097 SQMNWMAMUHQNIE-JQHSSLGASA-N 350.434 1.910 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247489389 AZNGNLUCQFPSKM-KRWDZBQOSA-N 364.471 1.006 0 40 FDAB CCn1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1 249694010 OQPJQKGTSVIMRE-IBGZPJMESA-N 371.485 1.728 0 40 FDAB CC(C)c1ncc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)cn1 257281349 OOUBSJRDCGFZIJ-SFHVURJKSA-N 356.430 1.151 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)C2CCOCC2)C1 257304425 SLPFKMQDXHKNRI-LBPRGKRZSA-N 355.460 1.021 0 40 FDAB Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 257266687 MEBDUVOBBZHSGU-LBPRGKRZSA-N 361.423 1.899 0 40 FDAB Cc1ccc2c(CC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)coc2c1 257286503 PLVXZSJECWHFIA-MBOZVWFJSA-N 358.438 1.624 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)[nH]1 257314663 UXYUNXKPOHEBBJ-GFCCVEGCSA-N 352.398 1.552 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1 257299243 RPGDXFJTAQDWCD-OAHLLOKOSA-N 355.442 1.332 0 40 FDAB NC(=O)NC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 17267987 GNSWJVGSNKNVGD-UHFFFAOYSA-N 370.452 1.672 0 40 FDAB O=C(Cc1cnccc1C(F)(F)F)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961699 SXRDOXJNAQHJHL-PWSUYJOCSA-N 355.320 1.798 0 40 FDAB C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](c2ccccc2)CO1 608256700 DTMPJLGYWMUCBI-KDOFPFPSSA-N 364.405 1.780 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1cccn1 604418796 FEYPZSXVQOUPPQ-GMBSWORKSA-N 354.410 1.499 0 40 FDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C(F)(F)F)CCCC2)C1 624957978 JBCIRJRFCGVCCL-SNVBAGLBSA-N 357.398 1.442 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)COc1cccc2ccccc12 643953467 SNTWVLDWSSXPMB-HXUWFJFHSA-N 356.422 1.972 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(-c2cncnc2)cc1F 643939588 MZKUZOUITZFCFQ-SFHVURJKSA-N 358.373 1.389 0 40 FDAB Cc1ncc(S(=O)(=O)N2CCc3[nH]c4ccc(C(=O)O)cc4c3C2)n1C 629297397 FCEXKXBZOZFWNW-UHFFFAOYSA-N 374.422 1.655 0 40 FDAB C[C@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)n1ccc(C(F)(F)F)n1 630824578 DZQUTWAGDGEWTE-ZJUUUORDSA-N 368.381 1.003 0 40 FDAB CO[C@@H](CS(=O)(=O)Nc1noc(-c2ccccc2F)n1)[C@H]1CCOC1 656734383 LOGVKDVYMZGZQC-GWCFXTLKSA-N 371.390 1.669 0 40 FDAB CNS(=O)(=O)c1csc(C(=O)N2CCOC[C@H]2c2ccccc2)c1 673991557 SUHYZNSCEROVJD-AWEZNQCLSA-N 366.464 1.870 0 40 FDAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4C(=O)OCCF)cn2c1 585109056 QKDPSVRCVZCBKY-GJZGRUSLSA-N 360.389 1.924 0 40 FDAB Cc1cc(C)n(CC(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)n1 585287992 KYLDTYJQFMLMFF-NLWGTHIKSA-N 355.438 1.646 0 40 FDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)CCn2nnnc2C)C1 585276924 QEGVETBCAUJYPH-GOSISDBHSA-N 359.430 1.377 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21 585112165 JXUATEWEORFXGS-QGZVFWFLSA-N 364.453 1.994 0 40 FDAB Cn1ccnc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1=O 76093098 NWKYSIWOXVZEDO-OAHLLOKOSA-N 354.410 1.200 0 40 FDAB CCn1cc(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 631458531 RVHWCKJZQXWADJ-RDJZCZTQSA-N 354.454 1.970 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 1615530341 VOHFHIRTABYCIY-UHFFFAOYSA-N 367.453 1.835 0 40 FDAB CCC(=O)N1C(=O)[C@@H](C)[C@@]23c4cc(OC)c(OC)cc4C(=O)N2CCCN13 5662837 JXNRSNCIPYXLIB-NSPYISDASA-N 373.409 1.348 0 40 FDAB Cc1cc(C)n([C@H](C)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 12187954 WOGIDXONWFDSGT-GFCCVEGCSA-N 364.427 1.370 0 40 FDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(N(C)C)cc1 13583010 ZDBRIPNGYGPMKT-DRMAHVMPSA-N 363.410 1.138 0 40 FDAB Cn1nc(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c2cccnc21 19289508 UHRINQNZANRPBI-ZDUSSCGKSA-N 362.455 1.109 0 40 FDAB O=C(Cc1ccccc1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19370280 GARXZPZCMMMIBI-AWEZNQCLSA-N 351.366 1.669 0 40 FDAB COCC(=O)N1CCc2c(nc(N3CCCC3)nc2Oc2cccnc2)C1 19592944 NYOCAXKLTFNQEJ-UHFFFAOYSA-N 369.425 1.795 0 40 FDAB CC(=O)N[C@@]12CCN(C(=O)c3cccc4cccnc34)C[C@@H]1CN(C)C2 19711677 FHDJIRUROBIHJQ-OXJNMPFZSA-N 352.438 1.517 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O 8844913 NSLGVXTUSXWZRD-BLVKFPJESA-N 373.409 1.897 0 40 FDAB COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1 3445604 DOCZAPHJDABMFZ-UHFFFAOYSA-N 371.422 1.785 0 40 FDAB CN([C@H]1CCN(c2ncc(F)cn2)C1)S(=O)(=O)Cc1ccccc1 1888869761 JOGJUAHHOXQMTA-HNNXBMFYSA-N 350.419 1.656 0 40 FDAB Cc1cc2c(N3CCN(c4ccnc(N5CCCC5)n4)CC3)nccn2n1 1889146265 XZOOSPHYVDILOK-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ncncc4C)C[C@@H]3C2)s1 1889147560 GAVBATKJDLKGEA-ZIAGYGMSSA-N 364.496 1.912 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NCC(=O)OCc1ccccc1 14851471 ICORNEDJPBSEAM-UHFFFAOYSA-N 351.362 1.256 0 40 FDAB Cn1ccc(=NC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)[nH]1 2037915949 DKBNGSBKCITHST-IBGZPJMESA-N 358.442 1.077 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1cnn(CC)c1)CCO2 2056226275 OKGPQKFIUUDEHT-HKUYNNGSSA-N 364.490 1.568 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)n1 1565553582 FCMRLZSUSAQDAE-GVDBMIGSSA-N 372.425 1.538 0 40 FDAB CCN(CC)C(=O)Cn1cnc2c(nnn2-c2cc(C)cc(C)c2)c1=O 4341860 MGUWMDMTMRHHKZ-UHFFFAOYSA-N 354.414 1.462 0 40 FDAB Nn1c(SCC(=O)Nc2ccccc2)nnc(Cc2ccccc2)c1=O 4854832 MVHHCOJOHBLRLB-UHFFFAOYSA-N 367.434 1.674 0 40 FDAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cn[nH]c2)C1 2055747269 RMPARPJECZJTHB-GOSISDBHSA-N 361.421 1.368 0 40 FDAB Cc1cc(N2CCN(c3ncnc4ncccc34)CC2)nc(N(C)C)n1 2086889616 BGXDQUCOFOORJJ-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB COc1ccc(NC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)c(OC)c1 49410874 HUAJAHJCXLASSY-UHFFFAOYSA-N 372.425 1.808 0 40 FDAB CCn1c(=O)[nH]c2c(C(=O)N3CCc4ccccc4C3)snc2c1=O 49409792 XBKYBTHYZQYPEY-UHFFFAOYSA-N 356.407 1.365 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 101016548 OVBANGPEBYGADX-SCZZXKLOSA-N 371.136 1.377 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1OC 32657636 DBNOEJWNFSCHQB-CQSZACIVSA-N 369.421 1.811 0 40 FDAB C[C@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)NCc1ccco1 22671727 QGHCVZJBILZEAZ-LBPRGKRZSA-N 365.407 1.686 0 40 FDAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 854163 NSMLIHVISBZBSK-UHFFFAOYSA-N 361.423 1.033 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(OC)c(OC)c1OC 43094167 FRHVPOYSIHETJC-UHFFFAOYSA-N 374.459 1.114 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 6957834 MPHITXFXHRKVJQ-UHFFFAOYSA-N 370.471 1.393 0 40 FDAB CCC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1 24802736 UURGWHWTGUSFMM-LBPRGKRZSA-N 356.444 1.446 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NOCc2ccccc2)s1 25038771 LYKMKJYITQOEMN-UHFFFAOYSA-N 354.453 1.701 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8745815 NCQFUGRNJLQMBF-UHFFFAOYSA-N 363.395 1.727 0 40 FDAB O=C(Cc1nc2ncccn2n1)NCCNc1ccc(C(F)(F)F)cn1 56883100 IFUQGPAZPTXFEH-UHFFFAOYSA-N 365.319 1.309 0 40 FDAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1 3283790 OVXXEWGGWYOUTQ-CYBMUJFWSA-N 358.369 1.976 0 40 FDAB CN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)c2ccccc21 108360173 OMVXLXMWCXKKOV-MRXNPFEDSA-N 366.421 1.821 0 40 FDAB CSCC[C@H]1NC(=S)N(c2ccc3c(c2)NC(=O)[C@H](C)O3)C1=O 9607609 ZXGDSAUAWFYZQX-WCBMZHEXSA-N 351.453 1.749 0 40 FDAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(c2cnccn2)CC1 27631720 SJJWGUWKCBJSAW-IRXDYDNUSA-N 353.470 1.907 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc4nccnc4n3)CC2)C1 58232010 DOXJAUUKWZMLRS-HOTGVXAUSA-N 368.485 1.651 0 40 FDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 48289081 ZZHLJNDRBJNRES-GFCCVEGCSA-N 366.381 1.951 0 40 FDAB O=C(CSc1nnnn1C[C@H]1CCCO1)NCc1ccccc1F 58361245 TUWTVFVVVYCDEW-GFCCVEGCSA-N 351.407 1.400 0 40 FDAB Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c2c(C)nn(C)c2n1 58305548 MPELNUMKYZLDKJ-AWEZNQCLSA-N 357.458 1.962 0 40 FDAB CNC(=O)c1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1 36391625 BUKAFADHMWVOKY-UHFFFAOYSA-N 365.393 1.740 0 40 FDAB C[C@@]1(NC(=O)CSc2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 12880016 UCLRPWWKVJAWDM-MRXNPFEDSA-N 371.480 1.633 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 36883289 XCCBQKXBNZINSC-KRWDZBQOSA-N 373.434 1.246 0 40 FDAB CC(=O)Nc1ccc(CC(=O)NCc2cccc(OCC(=O)O)c2)cc1 95425472 JMXWOMGAFNKSTC-UHFFFAOYSA-N 356.378 1.967 0 40 FDAB Cn1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 3442993 CNLVIHYEQGDYNP-UHFFFAOYSA-N 351.391 1.788 0 40 FDAB C[C@@H](c1ccccc1)N(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 13002148 MOCSUWCZKSGIMC-KSSFIOAISA-N 353.422 1.959 0 40 FDAB CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)cc1 48984980 VDLWHKGBNCUORK-CYBMUJFWSA-N 373.409 1.919 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)nc2c1 3882698 ZTKYSQQEFVALOZ-MMPOEDRJSA-N 358.375 1.676 0 40 FDAB CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)cc1 4177191 QYUPWROQYIIZKQ-INIZCTEOSA-N 357.414 1.247 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)N[C@H]1C 23074383 SAYXIFSQKBKQLT-NSHDSACASA-N 361.398 1.428 0 40 FDAB CN1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@H](c2ccccc2)C1 39982727 WSMOGLNQGISVEO-IBGZPJMESA-N 362.433 1.912 0 40 FDAB COc1cccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)c1OC 14021566 WOXJIRHMNNQZCQ-UHFFFAOYSA-N 374.422 1.474 0 40 FDAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCC1 14135290 ZDGBWSLBZWTPQV-UHFFFAOYSA-N 366.439 1.091 0 40 FDAB COC(=O)CCN(CCNC(C)=O)C(=O)c1ccc(C(F)(F)F)cc1 71639974 XYGMTHVGRZJVNZ-UHFFFAOYSA-N 360.332 1.847 0 40 FDAB CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1nonc1N 4789202 HZHXKGGWQGRYBP-UHFFFAOYSA-N 365.463 1.861 0 40 FDAB CN(CCc1ccncc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842481 GVMAEIPINSYPGL-UHFFFAOYSA-N 373.434 1.463 0 40 FDAB NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1 408543335 OBUFVGSLKFJRJX-UHFFFAOYSA-N 367.862 1.330 0 40 FDAB COc1cc(CNC[C@H](C)O)ccc1Oc1nnnn1-c1ccccc1 9668622 UWSFGUPOCTZMPJ-ZDUSSCGKSA-N 355.398 1.934 0 40 FDAB COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 17321323 SHPCOTJIEBVFDB-UHFFFAOYSA-N 354.472 1.467 0 40 FDAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 306129548 IGSSFIPTROXRBL-OAHLLOKOSA-N 365.441 1.786 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)COC(=O)c2ccc(Cl)cc2)C1=O 18171422 IZZXRMFUKRNFGI-HNNXBMFYSA-N 353.762 1.249 0 40 FDAB Nc1nc(N[C@@H]2CCN(c3ncccc3Cl)C2)cc(-n2cccn2)n1 92921491 BVWUXWXYFCPZGN-LLVKDONJSA-N 356.821 1.984 0 40 FDAB CC(C)CC[C@](C)(O)CNC(=O)[C@H](C)NC(=O)COc1ccccc1 72304537 PWDGWYXVWTYRLI-KXBFYZLASA-N 350.459 1.874 0 40 FDAB COc1ccc2c(c1)OC[C@H](C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1)C2 75104090 YPYWTAYOPWHSHU-YUELXQCFSA-N 354.424 1.755 0 40 FDAB CC[C@H](O)CN1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)CC1 89943366 BLKDLDKMKLSSJL-CVEARBPZSA-N 356.470 1.950 0 40 FDAB Cc1noc2ncnc(N3C[C@@H]4CCC[C@]4(NC(=O)c4n[nH]cc4F)C3)c12 1055576797 MJVAAGOQXFNSTA-BTDLBPIBSA-N 371.376 1.577 0 40 FDAB O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 28914353 LMAYCMQJJCXJTH-GFCCVEGCSA-N 363.391 1.576 0 40 FDAB C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)c1cccnc1 548677349 VOWOIYLYDCFNLF-KBMXLJTQSA-N 372.448 1.774 0 40 FDAB Cc1cccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1N 21487807 YPDUKKFNMUUCGA-UHFFFAOYSA-N 350.396 1.460 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408674271 YWRDALYLVMBENA-LNWTYNMOSA-N 358.346 1.535 0 40 FDAB Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc2nc(O)nc(O)c12 534364189 YOQXFWOARARRCQ-GDLCADMTSA-N 370.409 1.822 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)nn1 568365644 QZSKOEFGSQCCJM-GFCCVEGCSA-N 366.468 1.430 0 40 FDAB O=C(Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1)c1ccco1 71001716 HIGQOBFCIWPGFR-UHFFFAOYSA-N 352.354 1.744 0 40 FDAB Cc1cc(N2CCCC2)nc2sc3c(N(CCO)CCO)ncnc3c12 71283774 LSLWDEZDDWXFRL-UHFFFAOYSA-N 373.482 1.939 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2C)CC1 21489373 XKDRLHRGQPIDET-UHFFFAOYSA-N 357.451 1.479 0 40 FDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1 75157316 NWBLACZTHGBJQT-NSHDSACASA-N 354.291 1.841 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1ccc(C)cc1 41154549 WBDGKDZTVCJFRX-CQSZACIVSA-N 352.456 1.526 0 40 FDAB O=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CCc2c[nH]nc2C1 532336471 UEPILFIHZDVQRX-MRXNPFEDSA-N 353.426 1.151 0 40 FDAB CC1(C)NC(=O)N(CCSc2nnc(-c3ccccc3F)n2N)C1=O 40060167 XGWJJKWUSZXHDC-UHFFFAOYSA-N 364.406 1.221 0 40 FDAB CC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CCC(=O)N[C@@H]3C)ccc21 577139726 JZYBIAQGSUSJAL-RISCZKNCSA-N 350.444 1.563 0 40 FDAB CN1CCC[C@]2(CCN(C(=O)NCCc3nnnn3-c3ccccc3)C2)C1 577466992 XESMBMRRIHZELD-IBGZPJMESA-N 369.473 1.332 0 40 FDAB CC(C)CCN1C[C@H]2CCN(C(=O)c3ccncc3)CC[C@H]2S1(=O)=O 96145550 UUXUJZCENBPNKZ-IAGOWNOFSA-N 365.499 1.994 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]2CNC[C@H]21 333495174 BVSLFPJUFVECQC-TYNCELHUSA-N 371.890 1.217 0 40 FDAB CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 331346270 VZANLEUPMJUPKY-MRXNPFEDSA-N 369.259 1.547 0 40 FDAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)O)CC4)c3CO2)cc1 98212971 LJIIKBOINOCQLU-INIZCTEOSA-N 370.409 1.795 0 40 FDAB OC[C@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]12 245204641 FMZUHGYZWYNSOA-DWIKVQACSA-N 358.390 1.937 0 40 FDAB CCn1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)cn1 249696186 SFVYWEXQBWQHKB-QGZVFWFLSA-N 362.474 1.275 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)CCO2)n1 257249928 JKHJLFDEKHQWCQ-OAHLLOKOSA-N 356.382 1.237 0 40 FDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)nc1 257333492 YBTYOTXYGZVLBH-GOSISDBHSA-N 355.442 1.895 0 40 FDAB Cc1nc(Nc2nncs2)cc([C@H]2CCCCN2CC(=O)N(C)C)n1 257273057 NFBRJDHNAVAFFR-CYBMUJFWSA-N 361.475 1.995 0 40 FDAB Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(N2CCOCC2)n1 274834184 RECHMPMUTSVXCA-UHFFFAOYSA-N 357.458 1.879 0 40 FDAB COc1ccc(-c2ccncc2)cc1CN1CCC[C@@](O)(CC(N)=O)C1 643746499 NWLOLLMYGKFDMR-HXUWFJFHSA-N 355.438 1.960 0 40 FDAB Cc1ccn2cnc(C(=O)N(C)Cc3nc([C@H]4C[C@H](F)CN4)n[nH]3)c2c1 1775958432 ZBBKKICZCFKAPV-NWDGAFQWSA-N 357.393 1.406 0 40 FDAB O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 96122128 KALSOQAHVTVABM-CSKARUKUSA-N 367.448 1.879 0 40 FDAB Cn1cnc(S(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)c1 96121757 CCSZFNOWKAOWFU-UHFFFAOYSA-N 372.454 1.535 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)co1 292346825 KTDCMUARMVQSGE-LBPRGKRZSA-N 355.460 1.134 0 40 FDAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575425992 KDKLNUWESCSIQQ-OLZOCXBDSA-N 361.485 1.672 0 40 FDAB Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585280810 PHMHJFWOHNQQGD-QRQLOZEOSA-N 356.470 1.914 0 40 FDAB COCC(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775963867 HHIWXHKVEGTMSF-AWEZNQCLSA-N 358.398 1.238 0 40 FDAB biogenic,in-vitro CCN1C(=O)C[C@H](C(=O)N(C)Cc2cnccn2)[C@H]1c1cnn(C)c1C 668879543 HNUMSQXLGRKRTD-YOEHRIQHSA-N 356.430 1.087 0 40 FDAB COc1ccccc1N(CCC(N)=O)C(=O)CN(C)c1c(C)noc1C 674233110 IROSDLRCIHNCFX-UHFFFAOYSA-N 360.414 1.645 0 40 FDAB CO[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21 196739465 OBWXDZPCMDDANS-HNNXBMFYSA-N 352.799 1.578 0 40 FDAB in-vitro CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)NC3CC3)C[C@H]1CO2 1772594595 OGKIQCHSMYCZDM-INIZCTEOSA-N 372.469 1.999 0 40 FDAB COc1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 5166056 ULDUZRLWBNIDQW-UHFFFAOYSA-N 353.334 1.727 0 40 FDAB CN(C)CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 13595999 PCPHDOBHLXEXSI-UHFFFAOYSA-N 359.467 1.440 0 40 FDAB CC1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)CC1 19496776 KUPQELLUJTWPLR-HOTGVXAUSA-N 372.473 1.666 0 40 FDAB CCOc1ccccc1-n1nnc(C(=O)NCCc2cnccn2)c1C 19520230 SCQQIESFZYLBCN-UHFFFAOYSA-N 352.398 1.737 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@H]1CCS(=O)(=O)C1 14237245 JZOXLQDOAPWLPN-VIFPVBQESA-N 365.238 1.027 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1Br 14245887 UWFKFQZESWKUNS-UHFFFAOYSA-N 365.249 1.166 0 40 FDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccco1 253398211 GSQLRUOYTALBJV-IBGZPJMESA-N 358.394 1.245 0 40 FDAB CC1CC(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCC2)CO3)C1 1614936189 VYSKBYFVOVPENZ-PNQRNNEWSA-N 373.457 1.108 0 40 FDAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 4504527 KBQGCOGODXAGLW-GFCCVEGCSA-N 357.428 1.362 0 40 FDAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccc(F)cc1 8588268 XOHNARPYYOQZLT-UHFFFAOYSA-N 357.316 1.916 0 40 FDAB COc1nn(C)cc1-c1nnc(SCC(=O)N(C(C)C)C(C)C)n1C 12422595 DAAQXDNIALJFFV-UHFFFAOYSA-N 366.491 1.962 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC)CC1 2055750757 WNFRMSBSZKBQQS-UHFFFAOYSA-N 355.460 1.037 0 40 FDAB CCn1nc(C)cc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772260 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CIUGNAYDMZOGBF-UHFFFAOYSA-N 374.382 1.461 0 40 FDAB Cn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n3ccccc3nc21 2917188 WJKHADMUBHUZCU-UHFFFAOYSA-N 361.361 1.537 0 40 FDAB CC(=O)Nc1nnc(CCOCCc2nnc(NC(C)=O)s2)s1 3209261 BHEARRNNIDISII-UHFFFAOYSA-N 356.433 1.108 0 40 FDAB Cc1ccc(CNC(=O)[C@H](C)N2CCCN(CC(=O)N(C)C)CC2)cc1 24678002 QRHDXUUVSVXMRQ-KRWDZBQOSA-N 360.502 1.096 0 40 FDAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1 6880208 ZXPHSYBJVTYLRK-UHFFFAOYSA-N 353.488 1.082 0 40 FDAB O=C(NCCCN1CCN(c2ncccn2)CC1)NCc1ccccc1 25671940 PFUXSXJEZNFTKH-UHFFFAOYSA-N 354.458 1.488 0 40 FDAB COc1ccc(F)cc1[C@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58230538 UBKHNYLINATAKD-JQWIXIFHSA-N 361.460 1.932 0 40 FDAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)NCc1ccccc1 36663238 YRCSEJJTPVNDPF-SECBINFHSA-N 368.509 1.913 0 40 FDAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 48304257 RTBVHHBWNHCVCW-CQSZACIVSA-N 354.472 1.683 0 40 FDAB COc1cc(OC)c(NC(=O)CCC(=O)N2CCOCC2)cc1Cl 11604554 YOBKIZVZIPQCJW-UHFFFAOYSA-N 356.806 1.935 0 40 FDAB CCOC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 25718923 ISQDWADQSJCCIF-UHFFFAOYSA-N 370.471 1.252 0 40 FDAB COc1ccc(-c2nc3ncc4c(=O)n(-n5cnnc5)ccc4n3n2)cc1 20676943 VYSGOIJGBNPZOA-UHFFFAOYSA-N 360.337 1.018 0 40 FDAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccnc2)c2ccccc21 9061057 OZIVQPOPBSSFQH-MRXNPFEDSA-N 352.394 1.312 0 40 FDAB COc1ccc(NC(=O)CCc2nnc3ccc(OC)nn23)c(OC)c1 71288081 AQFZVGXDJVBBGJ-UHFFFAOYSA-N 357.370 1.721 0 40 FDAB CN(Cc1ccccc1)C(=O)Cn1nc(N2CCSCC2)ccc1=O 71281396 ZSQBFPYZBPUFBR-UHFFFAOYSA-N 358.467 1.455 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)/C=C/c1cc(OC)cc(OC)c1 48962671 MADXHDJUMPDMGQ-BQYQJAHWSA-N 370.471 1.505 0 40 FDAB CC(CO)(CO)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 96011717 BDCOKCCTOKUOAJ-SFHVURJKSA-N 353.422 1.854 0 40 FDAB O=C(NCCSCc1ccnc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 96004141 GAWQBLJMHHXEAT-LLVKDONJSA-N 363.892 1.455 0 40 FDAB O=C(NCCC(=O)N1CCCN2CCC[C@H]2C1)c1ccc(F)cc1F 65550748 TUIWVQXDELHOJA-AWEZNQCLSA-N 351.397 1.781 0 40 FDAB COc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1S(=O)(=O)N(C)OC 14138336 PCBHFSXBOPMCHY-NSHDSACASA-N 368.411 1.961 0 40 FDAB O=c1c(Br)c(Br)cnn1CN1CCOCC1 14189469 ITEHCXIYLZPVET-UHFFFAOYSA-N 353.014 1.058 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 306136975 QIBHUKAFPNVKBH-DOTOQJQBSA-N 370.428 1.573 0 40 FDAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc(OCC(N)=O)cc1 4694162 ICCRCCASCBWKIN-SWLSCSKDSA-N 362.430 1.510 0 40 FDAB c1ccc2c(c1)OC[C@H](CNCCNC[C@@H]1COc3ccccc3O1)O2 23478543 ZCQSZDBAOLKWID-IYBDPMFKSA-N 356.422 1.846 0 40 FDAB CN(CC(=O)NC1CC1)CC(=O)N(C)Cc1ccccc1Br 7926317 GLVHUMGMOYMSCV-UHFFFAOYSA-N 368.275 1.618 0 40 FDAB CCn1c(=O)n(CCC(=O)NCc2nnc3ccccn23)c2ccccc21 9517042 CVFFSORZEFDXIX-UHFFFAOYSA-N 364.409 1.572 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1OC 8476072 ZVJZMSNIKAAARG-UHFFFAOYSA-N 360.435 1.802 0 40 FDAB CCN1CCN(C(=O)CCC(=O)Nc2nc(C)c(C(C)=O)s2)CC1 27913413 OFQBGWAAJPTKEH-UHFFFAOYSA-N 352.460 1.537 0 40 FDAB CC[C@](C)(CC(=O)OC)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 75093551 SLCGQTSJGNWOLF-AFSSOGTRSA-N 367.446 1.335 0 40 FDAB COC(=O)c1ccoc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 24240897 LPXKOFKTUSHWCG-NSHDSACASA-N 352.412 1.907 0 40 FDAB COCC(=O)N1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 306134920 OBSJDVVGKMZZDO-UHFFFAOYSA-N 352.398 1.086 0 40 FDAB COCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408611551 XLLZOHNPKBHPAC-AWEZNQCLSA-N 372.487 1.541 0 40 FDAB C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408655614 HVINPIUXVIDTIO-DVKYCARXSA-N 370.405 1.588 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cccc(F)c1 67287254 HZENYUHOKSDWPG-INIZCTEOSA-N 363.389 1.329 0 40 FDAB COc1cccc(CC(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)c1 72372100 OVHMVKNTMFXNNN-UHFFFAOYSA-N 369.469 1.681 0 40 FDAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 39998342 PWGLHXDXIWVAIW-MRXNPFEDSA-N 361.467 1.774 0 40 FDAB COC(=O)[C@H]1CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12 36619331 LSRDGQXZRCBGSI-CQSZACIVSA-N 369.381 1.709 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(=O)O)cc1 217715595 IRVPETXFEYKHKN-UHFFFAOYSA-N 350.352 1.050 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@]2(O)CCCc3occc32)cn1C 1565522318 FWSJMHMCSIRJQV-MRXNPFEDSA-N 353.444 1.639 0 40 FDAB CC(=O)N1CC[C@H](c2c(C(=O)N3CCNC(=O)C3)sc3ccccc23)C1 72352638 HJJXDJJKBLGTKM-ZDUSSCGKSA-N 371.462 1.809 0 40 FDAB COc1ccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1OC 72389566 VOLPGLDKEKLBLS-UHFFFAOYSA-N 370.453 1.946 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCCN(CCn2cccn2)CC1 77100052 AHVYPINVHRPTQZ-UHFFFAOYSA-N 374.919 1.995 0 40 FDAB Cc1cn2nc(N[C@H]3CCN(c4c(C)c(C)nc5ncnn45)C3)ccc2n1 583148041 UZZINFFBYAECPA-AWEZNQCLSA-N 363.429 1.783 0 40 FDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96219419 ZXCQFLOQGFYWLT-LPHOPBHVSA-N 354.410 1.852 0 40 FDAB O=C(NCCc1ccccc1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253190 OVNDNYRPUKWVEC-FGTMMUONSA-N 357.454 1.650 0 40 FDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3ccccc3[nH]2)CC1 95471318 LINJXYVKFHEMIL-CYBMUJFWSA-N 372.425 1.587 0 40 FDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cc(OC)n(C)n2)cc1 583623731 KRQFMBXGQHLVQA-VQIMIIECSA-N 359.426 1.950 0 40 FDAB O=C(NCc1cccnc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96239220 UGSZKRZWCKUSDP-GOSISDBHSA-N 352.398 1.210 0 40 FDAB COCCN1CC2(CCN(Cc3ccc(C)o3)CC2)[C@H](COC)C1=O 96209087 XXJRODSHTCHVSZ-QGZVFWFLSA-N 350.459 1.921 0 40 FDAB CCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)C(C)C)C2 96036173 NSOIOMVQQMHXMC-SFHVURJKSA-N 364.515 1.682 0 40 FDAB CC(C)OC[C@H]1CCC[C@]12CN(S(=O)(=O)c1cn(C)cn1)CCO2 96160070 PBIPPFUBIYGQKN-ZBFHGGJFSA-N 357.476 1.405 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257331108 XRJJTDCKUCFZFN-QGZVFWFLSA-N 355.442 1.840 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)c1 257287285 PPHRULOBYUZNMM-INIZCTEOSA-N 357.410 1.968 0 40 FDAB CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381664 JZMMBUMGUGMOBH-GOSISDBHSA-N 357.498 1.944 0 40 FDAB biogenic,in-vitro O=C(Cc1ccc(F)c(Cl)c1)N1CC[C@](O)(CN2CCOCC2)C1 257334827 YHMYFTJJTUAPJT-KRWDZBQOSA-N 356.825 1.317 0 40 FDAB Cc1cc(O)nc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257334917 YHVQRBOZBBKBHF-OAHLLOKOSA-N 356.430 1.454 0 40 FDAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)cc1Cl 643430603 BPCXGGKNOGTACY-SNVBAGLBSA-N 352.195 1.317 0 40 FDAB Cc1c(CNC(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)cnn1C 644411776 ZQBZGIXIYWQFEJ-FQEVSTJZSA-N 356.470 1.762 0 40 FDAB NC(=O)[C@@H]1CN(c2nc(NCc3ccccc3)c3ccccc3n2)CCO1 663481542 KSFDPPQUJWRTCP-KRWDZBQOSA-N 363.421 1.932 0 40 FDAB C=CC(=O)N1CCC(C(=O)N2CCN(c3ccncc3Cl)CC2)CC1 1776002151 XDVLWRDRSZMYIG-UHFFFAOYSA-N 362.861 1.808 0 40 FDAB COCC(=O)NCC[C@@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 575403739 NIZGWALHOPWHKT-OAHLLOKOSA-N 371.437 1.552 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 585112893 XYOHAZUYXWANFI-KRWDZBQOSA-N 363.487 1.473 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccc(OC)cc1)C2 585102832 JVVRINHELLISCU-MRXNPFEDSA-N 368.499 1.616 0 40 FDAB CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@H]1C 585097727 NIHVYRWDHTWIGY-OAHLLOKOSA-N 362.474 1.624 0 40 FDAB COc1cc(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)on1 585108537 BXLZYYKVDUGXLJ-KMFMINBZSA-N 359.382 1.667 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cnccn2)on1 585097411 LKIQZJIFVCRBSU-CQSZACIVSA-N 354.370 1.463 0 40 FDAB Cc1ccc(OC[C@]2(O)COCCN(C(=O)Cn3ccnc3C)C2)cc1 585276163 DEMHAPDKBITUDV-LJQANCHMSA-N 359.426 1.169 0 40 FDAB COc1ccccc1CCNC(=O)CSc1nnc(SC)n1N 32901631 BPKBYKDSGMPKFB-UHFFFAOYSA-N 353.473 1.173 0 40 FDAB CN(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C)c1)c1ccco1 43937154 OALSHNGDYBUHIX-AWEZNQCLSA-N 355.402 1.895 0 40 FDAB O=C1NC2(Cc3ccccc3C2)C(=O)N1Cc1nc(-c2ccco2)no1 54920616 JDOQFLGKBDVUSS-UHFFFAOYSA-N 350.334 1.919 0 40 FDAB Cc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n2ncnc2n1 80971508 JQFKKQCYFGWWMJ-UHFFFAOYSA-N 365.445 1.150 0 40 FDAB OC[C@@H]1O[C@@H](n2c(C(F)(F)F)nc3cc4ccccc4cc32)[C@@H](O)[C@@H]1O 5487724 OSDOIUWYXRFOJG-LJISPDSOSA-N 368.311 1.820 0 40 FDAB CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)N1CCOCC1 5787316 USUGCCIINCPIHO-INIZCTEOSA-N 361.467 1.737 0 40 FDAB C[C@H](C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1)N1CCCC1=O 12187045 OMBIPDAYLIIPIL-CYBMUJFWSA-N 369.425 1.849 0 40 FDAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCOC1 12366342 VJANDOSRBSFSKI-LOLMAXHTSA-N 359.470 1.515 0 40 FDAB O=C(NC1CC1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(F)cc3)S[C@@H]21 12604183 NXNBBSVSSJTYBW-AIEDFZFUSA-N 365.430 1.098 0 40 FDAB biogenic,in-vitro CCCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C 12909931 WWZRJMOKPJKLMV-UHFFFAOYSA-N 370.515 1.863 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13575338 XWLQFAKSDIEBEW-PGHPUMOWSA-N 371.412 1.851 0 40 FDAB O=C(CN1CCSC1=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14240694 WRRJPSMYOBLGEV-UHFFFAOYSA-N 365.436 1.685 0 40 FDAB c1ccc2c(c1)OC[C@H](CNCCNC[C@H]1COc3ccccc3O1)O2 19365899 ZCQSZDBAOLKWID-HOTGVXAUSA-N 356.422 1.846 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)N(C)C1=S 8091401 RXIHZFDIKBIIMF-YHYXMXQVSA-N 370.814 1.627 0 40 FDAB CCOC(=O)C1=C(CSc2nnc(-c3ccco3)o2)NC(=O)N[C@@H]1C 7737861 PWTMJRMCOBWXQV-MRVPVSSYSA-N 364.383 1.940 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)n1)CCC2 1888876512 SCSQEISGBGBAMG-XHSDSOJGSA-N 371.485 1.530 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)nc2ccccc21 1888909675 DBQMHQPVQIVVNV-GASCZTMLSA-N 364.453 1.998 0 40 FDAB COc1ccccc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 15104598 BNWUIDPLLZXUCW-UHFFFAOYSA-N 365.455 1.807 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)c1 24362074 JKRMIOUBOVSFLJ-AWEZNQCLSA-N 357.428 1.337 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cnc3ncccn23)C1 2037655566 OFKKLQSVQVJUQY-LBPRGKRZSA-N 358.427 1.325 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(I)cc1 389173412 JBBHISAMYXBGPK-WYUUTHIRSA-N 367.142 1.734 0 40 FDAB CCc1ccc(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)cn1 1565550752 IMTUWIQNDZBPMB-OAHLLOKOSA-N 372.473 1.090 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1 5272677 LCEVHXRGLSNNBE-UHFFFAOYSA-N 358.419 1.580 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC1CCCC1 5339721 FWVSJRLWFCDUDS-UHFFFAOYSA-N 365.455 1.532 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cnccn2)C1 225476665 GRXRKNWNHVTISI-CQSZACIVSA-N 356.382 1.958 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](Oc2ncc(F)cn2)C1 575413926 RUGIOPRTXZMLLJ-LBPRGKRZSA-N 358.329 1.204 0 40 FDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C(=O)NC[C@H]1C(C)(C)C 585149733 KPWSXNINTVMKOR-MGPQQGTHSA-N 367.490 1.863 0 40 FDAB O=C1CSC(=O)N1C1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 585327404 RJRVVIUBLPSYEQ-UHFFFAOYSA-N 372.443 1.815 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2107556 UBGWGSLTOWNMSA-ZNMIVQPWSA-N 361.442 1.565 0 40 FDAB biogenic O=C(NCCc1ccccc1)c1nnn2c1[nH]c(=O)c1cc(F)ccc12 20722398 OQPHSQIQEVXVIQ-UHFFFAOYSA-N 351.341 1.682 0 40 FDAB CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)s1 32837570 YQBBEUSUBMJYPG-UHFFFAOYSA-N 355.423 1.963 0 40 FDAB Cc1cccc(C)c1N1C(=O)C[C@H](SC(C)(C)[C@H](N)C(=O)O)C1=O 257878 PGNBRVSLALBTIU-SMDDNHRTSA-N 350.440 1.859 0 40 FDAB C[C@@H](NC(=O)c1cccs1)C(=O)OCc1nnnn1-c1ccccc1 23202923 YIPFURMWFLFUBS-LLVKDONJSA-N 357.395 1.586 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 47827439 IBWNIDBLSSQORT-HNNXBMFYSA-N 360.458 1.894 0 40 FDAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 4553734 BMCIPEXYJYAPJS-MRXNPFEDSA-N 368.499 1.939 0 40 FDAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@](CO)(CCO)O2 4731173 XYPPDQHBNJURHU-WLWSEXLFSA-N 356.503 1.855 0 40 FDAB CCOc1ccc2nc(NC(=O)CN3[C@H]4CC[C@@H]3CNC(=O)C4)sc2c1 4984518 CPCVQNYADCIHIR-NWDGAFQWSA-N 374.466 1.986 0 40 FDAB CC[C@H](C)NC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C 6800328 OEPPPDREOXARRB-NSHDSACASA-N 351.428 1.473 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cc1 7361840 QAJHJADFKYVJRM-UHFFFAOYSA-N 350.396 1.669 0 40 FDAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 10151733 WMGBNUHUNCSNIF-JKSUJKDBSA-N 372.421 1.727 0 40 FDAB COc1cccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2c(C)noc2C)c1 106981992 UOJDXTSZTQQRBY-KGLIPLIRSA-N 350.396 1.909 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3cccc(Cl)c3)nnc12 1408879 BGONMPQGWUHVTM-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB COc1cc(C)c(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 56037288 DHSVUMSISRMOHY-AWEZNQCLSA-N 373.496 1.652 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 35393012 RBSCOJZYYPAHSB-OAHLLOKOSA-N 370.471 1.189 0 40 FDAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1nnnn1Cc1cccs1 100427275 HCYJWNRZMACCRD-HUUCEWRRSA-N 360.487 1.805 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Oc1ccc3c(c1)OCO3)C2=O 24008428 QFCFGMIDUKKXGS-VOJFVSQTSA-N 360.366 1.821 0 40 FDAB O=C(NCCCn1ccnc1)/C(=C/c1cccnc1)NC(=O)c1ccco1 1817544 MULQKDORQADLPS-VBKFSLOCSA-N 365.393 1.849 0 40 FDAB CC(C)c1noc(CCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 48262089 TVFXGUXXTXEIFQ-CQSZACIVSA-N 364.446 1.366 0 40 FDAB Nc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n[nH]1 3350333 LDGAWPCZTWQACV-UHFFFAOYSA-N 360.443 1.790 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCn1nc2ccccn2c1=O 58225352 JWVRTFIYGOCWNU-FNORWQNLSA-N 352.350 1.054 0 40 FDAB COc1ccc2c(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1 2117930 FPQBPIAYJMLDHQ-UHFFFAOYSA-N 358.394 1.376 0 40 FDAB biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)c2c(C)nn(C)c2C)c1 58573277 LVTFLWIKZDPDKU-UHFFFAOYSA-N 373.365 1.432 0 40 FDAB O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1F 59483903 LFNHFXIBWRJZGW-UHFFFAOYSA-N 361.398 1.684 0 40 FDAB C[C@@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1 72293079 QKRIOGVCWSFICW-BEFAXECRSA-N 369.506 1.908 0 40 FDAB C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)NC(=O)NC(C)(C)C 28893442 MCDBHASOCUXXMI-HNNXBMFYSA-N 368.522 1.624 0 40 FDAB C[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1cccn1 36614587 QIBNFFIZDQFAGI-CQSZACIVSA-N 362.455 1.625 0 40 FDAB O=C1CN(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C(=O)N1 29019730 AQJXVRWDBWNIIY-HNNXBMFYSA-N 365.345 1.337 0 40 FDAB O=C(COc1cccc(NC(=O)C2CC2)c1)NCCCn1ccccc1=O 84606397 CIIAGCGGVNWFKB-UHFFFAOYSA-N 369.421 1.782 0 40 FDAB COc1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(OC)c1 3546528 XFFIYIMTOWNVRE-UHFFFAOYSA-N 360.366 1.620 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccncc3c2)cc1 2645458 UEOKBFWJUAULQS-UHFFFAOYSA-N 357.391 1.900 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCc2ccc(F)cc2)NC(=O)NC1 12981422 MAJFULAOIDTHMQ-UHFFFAOYSA-N 350.346 1.432 0 40 FDAB C[C@]1(NC(=O)c2[nH]nc(C3CC3)c2Br)CCS(=O)(=O)C1 49221181 ATZXIEZNUHZSJO-LBPRGKRZSA-N 362.249 1.357 0 40 FDAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1 6159293 NNOMJHMKWXKEFD-MRVPVSSYSA-N 362.477 1.966 0 40 FDAB C[C@H](NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 5213354 UJEHZWVFZSMGRA-CWRNSKLLSA-N 372.421 1.582 0 40 FDAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCCC(=O)O 5302804 SKQVJFZIZXSDDD-VIFPVBQESA-N 351.790 1.541 0 40 FDAB COC(=O)c1sc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C 9220126 WVYMGYSJWVZYJB-UHFFFAOYSA-N 367.408 1.814 0 40 FDAB CCCCNC(=O)COCC(=O)N1CCN(c2ccccc2OC)CC1 6628998 VFBAGGWKLDKGQN-UHFFFAOYSA-N 363.458 1.277 0 40 FDAB CN(Cc1ccsc1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 9336671 OJJIHHBFNNRASB-UHFFFAOYSA-N 356.407 1.216 0 40 FDAB CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)c(C)c2)c1C(=O)OCC 4969612 KXABRAOHGBYDHB-UHFFFAOYSA-N 374.397 1.887 0 40 FDAB CCCn1c(SCC(=O)NC(N)=O)nc2sc(CC)cc2c1=O 9362096 MOYWKBFRPCNEAO-UHFFFAOYSA-N 354.457 1.717 0 40 FDAB NC(=O)c1ccsc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 7141434 MNNMCYDGXSYXNZ-GFCCVEGCSA-N 362.363 1.169 0 40 FDAB CSc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)cc1 95464487 CJYIRAKTYFXKCV-ZDUSSCGKSA-N 350.440 1.804 0 40 FDAB CC(C)Oc1ccc(C(=O)OCCOCCNC(=O)C(F)(F)F)cn1 95467961 ZOHZAZWLPCXQMB-UHFFFAOYSA-N 364.320 1.721 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 71892826 BQIRYOYUYWHTSK-INIZCTEOSA-N 358.438 1.981 0 40 FDAB O=C(c1cccc(O)c1)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306125228 CJYAFXLCXVVSJL-HNNXBMFYSA-N 365.451 1.448 0 40 FDAB CCc1nn2c(CC(=O)OC)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 20797806 MPCYIYYNAAZZLW-UHFFFAOYSA-N 372.356 1.995 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 24750566 SHGUWFKIGDMBFM-KRWDZBQOSA-N 354.472 1.524 0 40 FDAB C[C@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1c1ccc2nncn2n1 306137347 QTSWOERIHJKYIP-LBPRGKRZSA-N 366.429 1.574 0 40 FDAB CCN(C(=O)CN1CCO[C@H](c2ccsc2)C1)[C@@H]1CCS(=O)(=O)C1 125462669 ZBZFJXRDGNDUMQ-CABCVRRESA-N 372.512 1.157 0 40 FDAB CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC)c(N)cc2OC)C1 77271173 VWSSPNVLVQHWRB-LBPRGKRZSA-N 369.487 1.285 0 40 FDAB in-vitro CCN(CC)C(=O)CN1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 72390899 ASRWRCQYJAOYMF-INIZCTEOSA-N 373.501 1.429 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@]34NC(=O)c3cccnc3N4)C2)cn1 72342845 UIKSBZJUXDFXNN-NBQZKYEYSA-N 363.421 1.819 0 40 FDAB CN(c1ccccc1)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 72210743 DWDLJTTYCXFLDL-UHFFFAOYSA-N 366.874 1.970 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 183403980 GMEUWDVFFNZCQA-UHFFFAOYSA-N 353.227 1.131 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)c1 75155741 VYLPZDYNGUCAQG-GOSISDBHSA-N 363.435 1.816 0 40 FDAB N=C(O)[C@@H](CNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)Cc1ccc(F)cc1 329613601 KLPXSWYDNJLEEH-GUTXKFCHSA-N 355.435 1.838 0 40 FDAB CN(C)c1cccc(C(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)c1 90590917 JDFFHDOJEDRLIT-UHFFFAOYSA-N 357.336 1.097 0 40 FDAB Cn1c(CNC(=O)CCc2nnc3ccccn3c2=O)nc2ccccc21 96224125 XOVIILKCNMWYGI-UHFFFAOYSA-N 362.393 1.225 0 40 FDAB CCCCCn1c(Sc2nccc(C)n2)nc2c1c(=O)[nH]c(=O)n2C 96306448 OXSQGBGYYURMOU-UHFFFAOYSA-N 360.443 1.863 0 40 FDAB Cc1ccnc(O[C@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)n1 253477816 HSUDRHLEMPMKHM-INIZCTEOSA-N 357.414 1.198 0 40 FDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cc(C)ncn3)C2)cn1 257306210 STHRXRDTZAJVLH-LJQANCHMSA-N 355.442 1.592 0 40 FDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cnc(C)nc2)CC1 257220338 DKLFQSBOXVBOPU-UHFFFAOYSA-N 354.414 1.231 0 40 FDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257283423 OYGDSZZTMQWPGO-QGZVFWFLSA-N 356.474 1.876 0 40 FDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CCc1cccnc1 257333198 YAORNRNBZNORSB-FQEVSTJZSA-N 354.454 1.899 0 40 FDAB CCn1cc(-c2nccnc2C2CCN(S(=O)(=O)N(C)C)CC2)cn1 257291937 QJHUJJSSZSSXQZ-UHFFFAOYSA-N 364.475 1.346 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2cncc(Cc3ccc(F)cc3)c2)CCO1 257331761 XUDKIBKWUUEVIU-IBGZPJMESA-N 357.385 1.528 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1noc2c1CCCC2 257241082 HWMWJTSWAOTHGQ-SFHVURJKSA-N 357.414 1.057 0 40 FDAB CCc1nnc(C)cc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 273582585 IKDONXREDDEFOA-UHFFFAOYSA-N 361.423 1.790 0 40 FDAB CN(C)S(=O)(=O)N1CCN(Cc2cc(-c3ccccc3)on2)CC1 671623167 UDCSTGSGNFEVML-UHFFFAOYSA-N 350.444 1.266 0 40 FDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C4CC4)C(=O)C3)CC2=O)cc1 673961112 QSQVBFMPBHAOOP-INIZCTEOSA-N 355.438 1.177 0 40 FDAB O=C(O)Cn1ccc(=NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)[nH]1 630135411 NACUDGGEUGFOLD-QMTHXVAHSA-N 369.299 1.510 0 40 FDAB Cn1cc(S(=O)(=O)NC2CCC3(CCOCC3)CC2)cc1C(=O)O 1120399314 YPHJBJHQRMZGBQ-UHFFFAOYSA-N 356.444 1.741 0 40 FDAB CCc1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)n(C)n1 635414835 NXOHVWCULYOJCG-UHFFFAOYSA-N 355.442 1.622 0 40 FDAB Cc1nnc2n1C[C@@H](C(=O)NCCc1cccc3cccnc13)N(C)C2 644275107 FEUVOHGWGMNFSK-INIZCTEOSA-N 350.426 1.308 0 40 FDAB O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 585108522 AQGWPSDBMHBTPM-OAGGEKHMSA-N 361.417 1.739 0 40 FDAB CCn1cnc2c(N[C@@H]3CCCCN(Cc4nc(C)no4)C3=O)ncnc21 585088449 VHOKGWWMCLESNQ-GFCCVEGCSA-N 370.417 1.531 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccc(Cl)c3)C2)OC1 585104442 IQIOGDJUTYOAQI-AWEZNQCLSA-N 358.891 1.870 0 40 FDAB COc1c(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cnn1C 685943250 UJEVBQHIICTNII-SGTLLEGYSA-N 357.414 1.883 0 40 FDAB COc1ccc([C@H](CNC(=O)c2cc(C)n[nH]2)N2CCOCC2)cc1OC 54202595 OLFBKBKAORELOF-INIZCTEOSA-N 374.441 1.539 0 40 FDAB CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 14139463 BLOZNWYRAMKLQL-UHFFFAOYSA-N 353.469 1.856 0 40 FDAB COCCN(C(=O)c1cn2cccc(C)c2n1)C1CCN(C(C)=O)CC1 19718835 LIWITYVBCRRJER-UHFFFAOYSA-N 358.442 1.742 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 19748911 CMFAHGKJLCKWKX-MRXNPFEDSA-N 367.519 1.371 0 40 FDAB CCOc1ccccc1NC(=O)C(=O)NCC1(O)CSCCSC1 1888930404 HMBAADBBIXMGPI-UHFFFAOYSA-N 370.496 1.351 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(CNC(N)=O)cc2)cc1OC 21555877 FXEUJCMKGNRQNC-UHFFFAOYSA-N 357.410 1.845 0 40 FDAB O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 1614930771 YLWSWGZVBOMSBQ-QGZVFWFLSA-N 367.449 1.839 0 40 FDAB COc1ccc(CC(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)cc1F 1614940090 CFGVARKPUYVIAY-QFBILLFUSA-N 362.445 1.946 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 2086968238 ZQPHZEPSENZPFR-GASCZTMLSA-N 362.430 1.514 0 40 FDAB O=C(/C=C/c1cccs1)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565553179 MXYZBVYHLDAVKF-WIJLQKJISA-N 356.451 1.915 0 40 FDAB Cc1cccc(CCC(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)n1 1565555039 OQZHFXRRUGTNBT-UHFFFAOYSA-N 365.441 1.591 0 40 FDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4c(F)cccc4Cl)C(=O)[C@H]13)O2 1429424 IXXNRJWKESXNRA-VWPFQQQWSA-N 351.761 1.934 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n(N)c1=O 4337936 QQNUTGIQFQYZQZ-UHFFFAOYSA-N 359.333 1.410 0 40 FDAB COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 4497742 CCLCEGYROFJKIW-ZDUSSCGKSA-N 364.398 1.918 0 40 FDAB Cc1ccc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 4570964 NSBOVRWGIGGIQM-UHFFFAOYSA-N 373.438 1.010 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccn1C 11899006 UXUAFXCHLZMXAC-MRXNPFEDSA-N 362.861 1.714 0 40 FDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)Cc1noc2ccccc12 2055754810 XIVYYOWVPQVDOM-ZDUSSCGKSA-N 370.409 1.643 0 40 FDAB CC(C)CC(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771673 QICRCCAGGILXQX-OAHLLOKOSA-N 360.380 1.925 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2ccncn2)C1 2055750911 LGFZZGUGWCHLMB-LJQANCHMSA-N 353.426 1.652 0 40 FDAB CN(C)S(=O)(=O)N1CCC2(CCCN(C(=O)c3cscn3)C2)CC1 2055785331 HUMQKTAESWLKKI-UHFFFAOYSA-N 372.516 1.268 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 43979994 XTQVHCSMSIQWNH-UHFFFAOYSA-N 363.439 1.743 0 40 FDAB CCN1CCN(CC(=O)Nc2ccc(Br)cc2)C(=O)C1=O 4326292 JFHSQJWFVAZWET-UHFFFAOYSA-N 354.204 1.078 0 40 FDAB CC(C)(CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1 40043204 YTWBFIPINZSMNH-UHFFFAOYSA-N 361.364 1.863 0 40 FDAB NC(=O)C1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 40050838 QBQXRCMBTDVCSZ-UHFFFAOYSA-N 372.469 1.523 0 40 FDAB O=C1C[C@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCCC3)[nH]c2=O)N1 40285062 VXYIDBGPZUQEMJ-JTQLQIEISA-N 371.372 1.574 0 40 FDAB CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31610525 PHFINIZVSLADAH-GJZGRUSLSA-N 372.874 1.553 0 40 FDAB CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)c(Cl)c1 51162542 JNUZPPOQCMMOOV-UHFFFAOYSA-N 358.844 1.087 0 40 FDAB CC(C)(C)n1ncc2c1N=C(O)C[C@]21C(=O)N(CC(N)=O)c2ccccc21 32074717 HYNCFGQHXJPSMZ-LJQANCHMSA-N 367.409 1.748 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 32795179 AGZNQYPQJYDICY-KRWDZBQOSA-N 355.438 1.219 0 40 FDAB Cn1cc(C(=O)NC2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cn1 52903950 TYJUZWWSBRHEDJ-UHFFFAOYSA-N 365.437 1.979 0 40 FDAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCOC)c1 22623780 FJNRLJQSTHNLTM-GFCCVEGCSA-N 358.460 1.538 0 40 FDAB COc1cccc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)c1 42298571 UNCYHGODWXSICD-UHFFFAOYSA-N 351.380 1.831 0 40 FDAB CCOc1cc(F)ccc1NC(=O)N1CCN(CC(=O)NC2CC2)CC1 47582977 GZJRQRDRNGQYCD-UHFFFAOYSA-N 364.421 1.653 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCC[C@H](C(F)(F)F)C1 23387916 NFQYDZWRXUSOIU-WDEREUQCSA-N 369.343 1.927 0 40 FDAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1 1344759 KVRKZNWMTURMLP-UHFFFAOYSA-N 366.406 1.355 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1 54649266 LBAWBFQDAZBOFA-UHFFFAOYSA-N 374.832 1.600 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1csc(-c2ccsc2)n1 24807242 KTCJPVSNWQFODC-LBPRGKRZSA-N 351.453 1.735 0 40 FDAB CCOC(=O)CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179675 HRTAGXZCVMIAKW-VVILHGPQSA-N 372.421 1.621 0 40 FDAB CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3Cc2ccccc2)n(C)c1=O 8706233 NWQSQUHDQRYHDS-ZDUSSCGKSA-N 366.425 1.874 0 40 FDAB CCCc1nnc(S)n1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25331099 MJYAZWXKGDWKEX-LBPRGKRZSA-N 353.517 2.000 0 40 FDAB CCOCCCNC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 25596537 YWXGEAKIGJUPHG-LSDHHAIUSA-N 354.447 1.511 0 40 FDAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 12682928 PHNPMCYFGVKKRV-UHFFFAOYSA-N 368.437 1.686 0 40 FDAB O=C(c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1)N1CCOCC1 72328370 RLZCEKPHBXWJRY-UHFFFAOYSA-N 371.418 1.272 0 40 FDAB O=C(OCC(=O)N1CCCC1=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 108397151 TUYZLSYJZFAZMG-KKUMJFAQSA-N 372.425 1.306 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1 58210920 AQLBEPWUQSIHKC-OKILXGFUSA-N 369.487 1.423 0 40 FDAB CC1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 106033454 YGTXDLYAMRPWAA-UHFFFAOYSA-N 367.515 1.545 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)C1 58186285 SLFROOPNWNPJLQ-CQSZACIVSA-N 366.487 1.253 0 40 FDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 44830164 ABNBASJQIFABCL-CABCVRRESA-N 364.423 1.832 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)n1 108529565 YBXYPXQKRWCECF-CQSZACIVSA-N 356.430 1.476 0 40 FDAB CCOC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 58208863 NVQVKKXOLNRLPX-LLVKDONJSA-N 360.457 1.146 0 40 FDAB CC(=O)NCCNC(=O)COC(=O)c1cccc2c3c([nH]c12)CCCC3 27734863 QHXUFALJGAUSDR-UHFFFAOYSA-N 357.410 1.456 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2ccccc12 12737421 HNDGLNSSJJXWSY-WFASDCNBSA-N 356.426 1.451 0 40 FDAB CCOC(=O)C1=C(CSCC(=O)OC)NC(=O)N[C@@H]1c1cccs1 12768024 WYTAHTDCNMRCDB-CYBMUJFWSA-N 370.452 1.825 0 40 FDAB CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 11380946 SLHMIIPTACEJIF-UHFFFAOYSA-N 372.402 1.715 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)n(C)c1 29687941 YQZFKIWMLVMCGK-UHFFFAOYSA-N 355.847 1.559 0 40 FDAB O=C(NCCCCCO)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13548511 WYVBEHZCSQUICT-UHFFFAOYSA-N 366.853 1.502 0 40 FDAB CCNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3ccc(C)nn3)cc2)C1 65397626 WADPLUQTKWWGDW-KRWDZBQOSA-N 367.453 1.995 0 40 FDAB CCc1ccc(-c2n[nH]c(SCC(=O)NCC(=O)NC(C)C)n2)cc1 9337362 HFFRWOFXNCPOKC-UHFFFAOYSA-N 361.471 1.767 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)NCCc1ccc2c(c1)OCCO2 14197453 VAKMQCWHINWTNP-UHFFFAOYSA-N 368.389 1.542 0 40 FDAB O=C(NCC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccccc1 14198558 GMMSKQXFJASJLK-UHFFFAOYSA-N 367.449 1.640 0 40 FDAB Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)NCCOc1ccccc1 4727382 QCWFEJPBCPYSCH-UHFFFAOYSA-N 373.438 1.636 0 40 FDAB CCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 6993220 RLUHKMRUWQLDPH-UHFFFAOYSA-N 361.398 1.993 0 40 FDAB O=C(N1CCCC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 306132759 LRNVBEWJMIIIOM-HNNXBMFYSA-N 355.446 1.823 0 40 FDAB COc1cccc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)c1 15356870 QPAXHPLWRMQBCR-UHFFFAOYSA-N 357.370 1.440 0 40 FDAB CC(=O)N1C[C@H](C(=O)Nc2ccc(S(C)(=O)=O)cc2)Oc2ccccc21 7985901 CGSPNOOPUNMSHH-QGZVFWFLSA-N 374.418 1.843 0 40 FDAB NC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(N)=O)c1 8195595 YHPOYPNQHOTVMX-UHFFFAOYSA-N 369.402 1.838 0 40 FDAB CN1N=C(C(=O)OCC(=O)NCC2(c3ccccc3)CCC2)CCC1=O 83877131 ACTLWSAKUJMRBN-UHFFFAOYSA-N 357.410 1.376 0 40 FDAB CS(=O)(=O)c1ncc(OCC(=O)Nc2ccc(F)cc2Cl)cn1 95941596 TVMFXTFWTGNPBH-UHFFFAOYSA-N 359.766 1.690 0 40 FDAB CC(C)On1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 95966467 ODEJSRXPYVZNCD-BETUJISGSA-N 352.460 1.935 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(N)=O)o3)[C@H](C)C2)cc1 89938590 YAFTWELQPBKVNP-GFCCVEGCSA-N 371.393 1.516 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)C(C)C)c1 27394375 AHMBSUDZUXZVEY-PBHICJAKSA-N 364.442 1.753 0 40 FDAB CCc1ccc(C(=O)N2CCOc3c(ncn(CCOC)c3=O)C2)cc1 306131620 KKFYXBOGNPWFTN-UHFFFAOYSA-N 357.410 1.487 0 40 FDAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1)NC1CC1 23930470 UXALJAOSZYHURS-QHHAFSJGSA-N 365.836 1.915 0 40 FDAB O=C(NC[C@]1(OCCO)CCSC1)c1cncc(Br)c1 1565520395 RKVQMATWABBVHM-CYBMUJFWSA-N 361.261 1.459 0 40 FDAB O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1 56997556 ZLDKAIMGYFWZJM-UHFFFAOYSA-N 369.487 1.988 0 40 FDAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@](O)(Cn2cccn2)C1 72354534 VIRNBKUUBVMPCX-LJQANCHMSA-N 360.433 1.160 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218206686 KNHZHRMPRMFWBY-DMDPSCGWSA-N 363.229 1.413 0 40 FDAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccccn2)CC3)C[C@@H](C)O1 72335491 OTUHZFMKSHJMSQ-ZIAGYGMSSA-N 355.442 1.749 0 40 FDAB Cc1cccc2[nH]c(CNC(=O)N3CCN(c4ncccn4)CC3)nc12 132450024 MZZMLHGCOFUUMA-UHFFFAOYSA-N 351.414 1.693 0 40 FDAB CC1CCN(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1 327267313 CPBUQGDOYVZQEL-MRXNPFEDSA-N 365.455 1.730 0 40 FDAB CN(C)C(=O)[C@H]1OC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96058403 OVORBUWJNGMTOA-INIZCTEOSA-N 364.467 1.629 0 40 FDAB Cc1occc1C(=O)N1CCn2c(CN3CCN(C)CC3)cnc2[C@H]1C 96062025 HRTCYXRUGGEJNW-CQSZACIVSA-N 357.458 1.749 0 40 FDAB CN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H]1CCC[C@H]1O 585082332 FMOUAXZIKVHVNJ-HZPDHXFCSA-N 352.456 1.360 0 40 FDAB CCOC[C@H]1CN(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCO1 529036910 VNQXGTXCLLEILC-CQSZACIVSA-N 356.444 1.668 0 40 FDAB COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 246669831 PQDLOTZTSIUQSK-GJZGRUSLSA-N 372.469 1.584 0 40 FDAB Cc1ccc(C[C@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cn1 257333298 YAZKMCHWCKIYDM-OAHLLOKOSA-N 358.442 1.502 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)n1 257247806 JAOXWHQHUNKOPE-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)NCc1cccnc1OC 26384036 FSQSBSCZSZCAJV-UHFFFAOYSA-N 358.398 1.845 0 40 FDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccnc3C)C2)ncn1 257250087 JKZFOVNLXZXABP-IBGZPJMESA-N 355.442 1.592 0 40 FDAB CC[C@@H]1OC2(CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)NC1=O 1615589934 MPYPYZQJAHIOOY-HNNXBMFYSA-N 352.456 1.702 0 40 FDAB Cc1c([C@@H]2[C@@H](CNC(=O)c3ncc4ccccn34)CC(=O)N2C)cnn1C 1615592062 QSVPRFDHWFOKAS-DYVFJYSZSA-N 366.425 1.326 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cn(C)nc2-c2cccnc2)C1 643755280 PREXIKPVUWVSDM-IBGZPJMESA-N 357.458 1.287 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)Cc1c(F)cccc1Cl 643971172 ARWBEJLXKOKWFH-AWEZNQCLSA-N 365.810 1.875 0 40 FDAB CCc1c(NC(=O)CN2CCCC[C@H](O)C2=O)cnn1CCC(C)C 644452147 QBCXSNJIUIROQO-INIZCTEOSA-N 350.463 1.804 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)ccc1F 390825950 SISQBAOQEYOTPF-LBPRGKRZSA-N 366.370 1.761 0 40 FDAB CN(C(=O)Nc1ccc(OCCC(=O)O)cc1)[C@H]1CCS(=O)(=O)C1 573152800 ZWEFZWLETGYRGN-LBPRGKRZSA-N 356.400 1.191 0 40 FDAB Cc1c(CN2CC3(C[C@H](COCc4ccncc4)CN3C)C2)cnn1C 585093897 NWWQDTZDXSDPSG-SFHVURJKSA-N 355.486 1.846 0 40 FDAB O=C(N1CCOC[C@H]1c1nccc(N2CCOCC2)n1)C1(F)CCC1 585113119 CYROWZRYHFBNBF-ZDUSSCGKSA-N 350.394 1.105 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]12 585108929 FQWZQJFLUOFJLY-JKSUJKDBSA-N 368.368 1.364 0 40 FDAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775986160 YHFBNFVNNQRYFL-LLVKDONJSA-N 362.336 1.398 0 40 FDAB C[C@H](OC(=O)c1cn(CC(N)=O)nn1)c1nc2ccccc2n1C(F)F 72301005 YEEJQYIKTOOTSK-QMMMGPOBSA-N 364.312 1.426 0 40 FDAB CCOC(=O)c1csc(C2=C[C@H](OC(C)=O)[C@H](OC(C)=O)CO2)n1 5905140 PVVMXTGQKPELSR-WCQYABFASA-N 355.368 1.554 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 12647481 NUSGVZWURMRPGR-UHFFFAOYSA-N 373.388 1.224 0 40 FDAB Nn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccco1 16755918 KBMLEFKFPHMEAL-UHFFFAOYSA-N 359.367 1.681 0 40 FDAB CCOc1ncccc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19531523 YKMSIFWSTPPLFT-MRXNPFEDSA-N 353.426 1.893 0 40 FDAB Cc1cc(=O)n(CCC(=O)NC[C@@H](C)N2CCOCC2)c2ccccc12 19566549 DZLRPIXVWNOHPC-MRXNPFEDSA-N 357.454 1.537 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H]2CCCCN(CC(=O)NC3CC3)[C@@H]2C1 19568877 AKJDVNPATBAOCH-MAUKXSAKSA-N 371.481 1.900 0 40 FDAB CCc1cc2c(=O)n(CC(=O)Nc3nnc(COC)s3)cnc2s1 19995653 QNKSBKOJKWFWFW-UHFFFAOYSA-N 365.440 1.657 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 6356881 SCJSNEHOGRLOND-UHFFFAOYSA-N 362.407 1.596 0 40 FDAB O=C1[C@@H]2CN(c3ncc(Br)cn3)C[C@H]2C(=O)N1c1ccccc1 1888853342 HANNHWXCJHVFNL-CHWSQXEVSA-N 373.210 1.865 0 40 FDAB O=C(c1cccnc1O)N1CCC(COc2ccc3nccn3n2)CC1 1888879126 QLLBDDDTDMPYJL-UHFFFAOYSA-N 353.382 1.761 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)Nc2cccc(Cn3ccnc3)c2)C1=O 25174858 YICBCVYUUNEAHB-UHFFFAOYSA-N 369.425 1.981 0 40 FDAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cnc(O)c(Cl)c1 240122650 WFACDQHPUCINTQ-UHFFFAOYSA-N 364.814 1.950 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)CN3CCOCC3)C2)cc1C 2037912881 BCYQOWYIVRUORC-FQEVSTJZSA-N 362.470 1.368 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cccnc2O[C@H]2CCOC2)CC1 253406532 URNCLKHLQGPIFN-AWEZNQCLSA-N 363.414 1.600 0 40 FDAB C[C@H]1CC[C@H](C(=O)N2CCn3c(nc(Cn4cncn4)cc3=O)C2)CC1 1565554325 XPVYLVYALQVPQS-HDJSIYSDSA-N 356.430 1.052 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)[C@H]4CCOC4)C3)ccnc12 1565555912 JGFYOFUOLNKCRP-KBPBESRZSA-N 371.441 1.174 0 40 FDAB O=C(N1CC[C@@H]2OCCN(CCN3CCCC3)[C@@H]2CC1)C1(F)CCC1 1565552730 UQFQZVKWVRBRGT-SJORKVTESA-N 353.482 1.666 0 40 FDAB Cc1cccc(F)c1C(=O)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565545730 LUBWSCYQQKUGTR-GOEBONIOSA-N 356.401 1.902 0 40 FDAB CC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 4323072 OSLVSYFYZWMJAX-UHFFFAOYSA-N 371.478 1.440 0 40 FDAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCOCC4)cnc32)c1C 4479180 AEGKDMHNVJEAPV-UHFFFAOYSA-N 367.409 1.058 0 40 FDAB COc1nn(C)cc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1C 12422594 RHKNHTYPMVWNRE-UHFFFAOYSA-N 372.454 1.979 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccco1 12422928 RHIKPPDXILJQKW-UHFFFAOYSA-N 358.379 1.536 0 40 FDAB O=C(c1cocn1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773000 IDGNSKNZBFHANJ-UHFFFAOYSA-N 371.319 1.181 0 40 FDAB O=C(Cc1ccccc1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734711 NMQCHJCLHZVOIS-INIZCTEOSA-N 355.438 1.723 0 40 FDAB COc1cccc(NC2(C(=O)NC3CC3)CCN(CC(=O)N(C)C)CC2)c1 2055747585 KPGKTDSLCYSKKM-UHFFFAOYSA-N 374.485 1.309 0 40 FDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C[C@@H]2CCCO2)CC1 40079562 OKMLQYSQSGRQMI-AEFFLSMTSA-N 357.454 1.363 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31218656 GPFUOYOLTAPBPS-OAHLLOKOSA-N 367.405 1.518 0 40 FDAB COCCNC(=O)c1cn(CCF)c2c(F)c(OC)c(F)cc2c1=O 20718771 KAHSILPOBDJLBR-UHFFFAOYSA-N 358.316 1.634 0 40 FDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2C)CC1 32771473 NLCMQVXJKJHOLG-UHFFFAOYSA-N 364.464 1.227 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102395595 DCTNHIWUTRPLND-BETUJISGSA-N 374.393 1.352 0 40 FDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccco1 800558 HSDXITVMNDHGHM-UHFFFAOYSA-N 364.423 1.759 0 40 FDAB Cn1nc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79194043 HBFUBCYVJJEDSY-WMLDXEAASA-N 354.454 1.928 0 40 FDAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 4162874 IMLRVTIILNQZON-UHFFFAOYSA-N 373.409 1.999 0 40 FDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24611735 OMUSGJGIHYSMST-OAHLLOKOSA-N 368.499 1.688 0 40 FDAB COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)s1 24913210 ICEKEBMQHKJIIA-UHFFFAOYSA-N 368.436 1.794 0 40 FDAB O=c1c2ccsc2ncn1C[C@@H](O)COCc1ccc2c(c1)OCO2 24983875 NHQVFLXKWZJMNJ-GFCCVEGCSA-N 360.391 1.764 0 40 FDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccc(F)cc1 7057589 SBJAEZLROPORCU-NSHDSACASA-N 369.352 1.924 0 40 FDAB CNC(=O)CN1CCC(NC(=O)CCC(=O)c2cc(C)ccc2C)CC1 25228713 QYDPSVNNNAMBMB-UHFFFAOYSA-N 359.470 1.593 0 40 FDAB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)NC(=O)NCC(F)(F)F 55858604 SSUQPLWZJVSXMB-UHFFFAOYSA-N 372.347 1.687 0 40 FDAB O=C1C[C@@H](Nc2ccc(-n3cnnn3)cc2)C(=O)N1CCc1ccccc1 12586148 YTAGXAOAIIPMTO-QGZVFWFLSA-N 362.393 1.444 0 40 FDAB COc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 3242933 IIXXGHWXWLJSLX-LBPRGKRZSA-N 353.371 1.164 0 40 FDAB CCN1CCN2CCCN(S(=O)(=O)c3ccc(C)cc3C)[C@H]2C1=O 109036274 IJFTZZAAAODXQV-INIZCTEOSA-N 351.472 1.188 0 40 FDAB COc1cccc(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 2093369 MYIFTZQUOJWRIQ-GVDBMIGSSA-N 370.449 1.716 0 40 FDAB biogenic Cc1cccc(C[S@](=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 58183155 VKIUCCBDBKLIRB-AREMUKBSSA-N 374.462 1.821 0 40 FDAB CC(C)c1ccc(CN2CCN(C(=O)CN3CCC[C@@H]3CO)CC2)cc1 95948533 ZNSSRDMAVNPMGB-HXUWFJFHSA-N 359.514 1.911 0 40 FDAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc(S(=O)(=O)N(C)C)c1C 27866396 GKYYQYKBHOITQG-ZFWWWQNUSA-N 354.472 1.851 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 10719964 AJYPHZOLIBELKE-UHFFFAOYSA-N 357.458 1.518 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)COc2ccc(CC(N)=O)cc2)cc1 48362983 YSVMCDKEQMRQSY-UHFFFAOYSA-N 371.393 1.317 0 40 FDAB C[C@@H]1C=C[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@@H]1C(=O)NCc1nc2ccccc2s1 48344744 SRMHUPMFIQBFRA-CJTUPEFNSA-N 369.446 1.966 0 40 FDAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 45858781 VMHQLTUMOPATFA-FZMZJTMJSA-N 359.407 1.913 0 40 FDAB Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1C(F)(F)F 3414053 AWEQXMQEVVEGAB-UHFFFAOYSA-N 363.321 1.545 0 40 FDAB Cc1cc(C)n(NC(=O)c2cc(-c3ccccc3)on2)c(=O)c1C(N)=O 2790298 QSHHJKHZHKEBMR-UHFFFAOYSA-N 352.350 1.603 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 3525727 VCKHNNXTQJXOQP-UHFFFAOYSA-N 355.181 1.839 0 40 FDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13068558 SDEWESFFBOWEDB-OKILXGFUSA-N 362.426 1.758 0 40 FDAB C[C@H](NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)c1nncn1C 84668026 IKVHOZGURCTRMA-GTNSWQLSSA-N 366.466 1.869 0 40 FDAB NC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392552 IUVDBPYXCFDWKM-VIFPVBQESA-N 356.469 1.489 0 40 FDAB C[C@@H](O)CN1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@H]1C 95461103 VTPBZGLNDAUDQL-CHWSQXEVSA-N 365.865 1.584 0 40 FDAB COC(=O)CCNC(=O)c1cn(Cc2ccccn2)c(=O)c2ccccc12 95475382 VAOCOVNDJXSDPZ-UHFFFAOYSA-N 365.389 1.738 0 40 FDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)c(OC)c1 9303882 AIUJOXRMSJDLGH-NEPJUHHUSA-N 356.469 1.799 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 5630033 DKWYYQJTSVLVEK-CYNONHLPSA-N 370.789 1.758 0 40 FDAB COc1ccccc1CN1Cc2cncn2[C@@H](C(=O)N2CC(F)(F)C2)C1 306124358 BNLJOIWGURNLRU-OAHLLOKOSA-N 362.380 1.926 0 40 FDAB COc1cc(CN2CCC(N3CCN(C)CC3)CC2)cc(OC)c1OC 19889847 DBOFKPRFUGMITD-UHFFFAOYSA-N 363.502 1.924 0 40 FDAB NC(=O)c1n[nH]c2ccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)cc12 95460737 CIKKHKPGHLAJNK-CYBMUJFWSA-N 366.381 1.742 0 40 FDAB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)s1 18265275 LWIXENSBPNIHOS-UHFFFAOYSA-N 366.830 1.648 0 40 FDAB COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)cc(OC)c1 8990367 CNFKCSBCVBMLNN-SJLPKXTDSA-N 363.435 1.983 0 40 FDAB O=C(NCCc1nnc2ccccn12)[C@@H]1CC(=O)N(Cc2ccccc2)C1 72276928 YEIBHYDQKADTDR-MRXNPFEDSA-N 363.421 1.437 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1nccs1 72325533 TVNLGHXZZKACID-ZDUSSCGKSA-N 356.407 1.733 0 40 FDAB biogenic CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCCO)c1 98075132 JRUMFQZACFUSOL-UHFFFAOYSA-N 354.472 1.752 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408601789 HJMNUEBKXOOYMZ-CQSZACIVSA-N 372.487 1.683 0 40 FDAB CCCn1nnnc1COC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 32745238 MSQYIJXIHRNQKG-SNVBAGLBSA-N 351.794 1.598 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCn3cccc3[C@H]2C)s1 79045432 HWUQXYUXFMSVKF-LLVKDONJSA-N 368.484 1.744 0 40 FDAB Cc1ccc2nc(C)cc(C(=O)N[C@H]3COC[C@@H]3N3CCN(C)CC3)c2c1 77428464 WOPKAOHBVMPCDF-PMACEKPBSA-N 368.481 1.596 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)c1cnc2sc(C)c(C)n2c1=O 79498900 YNEUVPIXTYUQSB-NSHDSACASA-N 369.468 1.397 0 40 FDAB COC(=O)C1(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CCCC1 44841679 QRUCNSSTMZQCPD-UHFFFAOYSA-N 365.430 1.089 0 40 FDAB COc1ccccc1OCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224282525 RMFRKCUQRQEITC-GASCZTMLSA-N 372.421 1.532 0 40 FDAB O=C1NC(=O)[C@@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1c[nH]c2ccccc12 222102915 YCDBVPWWHITLPH-GARJFASQSA-N 357.416 1.797 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(C)CC1 223377525 JBIUXZAJSRFXOP-INIZCTEOSA-N 369.487 1.014 0 40 FDAB COc1cccc(CNC(=O)c2nc3c(o2)CN(c2ncccn2)C3)c1 96266050 NXNGCFNYGLFLCW-UHFFFAOYSA-N 351.366 1.923 0 40 FDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)Cc2ccccn2)CC3)cn1 96069745 GFHCEGCRFJCFTJ-MRXNPFEDSA-N 353.426 1.023 0 40 FDAB COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)cc1 96057507 XYPIIAQLCSYJPP-VAMGGRTRSA-N 373.497 1.591 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231645404 ZHTHIOFSQYRLSB-MMQJMDILSA-N 364.829 1.927 0 40 FDAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95480777 MGLJATXVQGKPIV-GFCCVEGCSA-N 362.405 1.986 0 40 FDAB O=C(C1CCC1)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244192 LVQBBKXOKMYEQV-LJQANCHMSA-N 358.442 1.114 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231643826 DNSNXLOPBIXZMA-DEXNDLTESA-N 360.410 1.282 0 40 FDAB O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 247733792 JIYRZKOTKXLJNL-OAHLLOKOSA-N 370.457 1.703 0 40 FDAB O=C(O)[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242575068 NQRJUERJIVZLHG-BFYDXBDKSA-N 350.367 1.829 0 40 FDAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2ccc(CNC(=O)c3cnccn3)cc2)N1 257262287 LKVRSTKZNOLYTL-ZVZYQTTQSA-N 367.409 1.513 0 40 FDAB Cc1ccn(C[C@H](C)NC(=O)c2cn(C[C@H](O)c3cccs3)nn2)n1 85470500 YCAGYQFHKFOPTH-JSGCOSHPSA-N 360.443 1.397 0 40 FDAB Cc1ncsc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)O 527301973 OOHRPVKZEVIMIB-ZDUSSCGKSA-N 368.436 1.881 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3cncnc3)C2)ncn1 257290327 QCLABGGTDBGGJR-CYBMUJFWSA-N 354.414 1.063 0 40 FDAB Cn1cc(C(=O)N2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)cn1 257253425 JYXOFNRQZFWHMQ-KRWDZBQOSA-N 350.382 1.486 0 40 FDAB CN1CCC[C@H](N2CCN(CC(=O)NC3C4CC5CC(C4)CC3C5)CC2)C1 604388705 IBIRVDSAFVXDPN-BSLXTEBSSA-N 374.573 1.639 0 40 FDAB C[C@H]1CN(C)C[C@@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)O1 635572117 GTNGVMMISUYMNX-AAEUAGOBSA-N 354.414 1.621 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(Cc2ccnn2-c2ccccc2OC)C1 643757339 MPHWDXWDVAMEGM-LJQANCHMSA-N 358.442 1.344 0 40 FDAB CN(C[C@@H]1CCCN(c2ncc(Br)cn2)C1)S(C)(=O)=O 672321005 HUFFADNZBXGTML-JTQLQIEISA-N 363.281 1.347 0 40 FDAB COCc1cccc(CC(=O)N2C[C@@H](OC)C[C@H]2Cn2ccc(N)n2)c1 1775958201 JYCUYLZBHHXFRS-IRXDYDNUSA-N 358.442 1.470 0 40 FDAB CCn1cc(-c2noc(CNS(=O)(=O)c3ccc(C)c(F)c3)n2)cn1 575414348 GTDHZQIHMLOJGZ-UHFFFAOYSA-N 365.390 1.879 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585097670 MJJOJUOQTLDLQK-CPUCHLNUSA-N 367.453 1.696 0 40 FDAB CCN1C(=O)[C@H]2CN(Cc3ccc(Br)cc3)CCN2C1=O 75106005 GHPBVVDJXPJBPH-CYBMUJFWSA-N 352.232 1.917 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 5325975 GTRVLWNUNFRBOV-UHFFFAOYSA-N 350.382 1.681 0 40 FDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)O 5415554 UVSYGDAIZHLVBZ-JFGNBEQYSA-N 369.830 1.977 0 40 FDAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)NC(C)(C)C)c2=O)n1 12117415 LBQDHHNOVOUYQU-UHFFFAOYSA-N 355.398 1.912 0 40 FDAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCOCC3)c(=O)n12 12145241 QLNKCPYVUWAJNS-UHFFFAOYSA-N 369.425 1.201 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 12146610 UTZDKJUNTTVHKG-UHFFFAOYSA-N 368.349 1.495 0 40 FDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC4CCCC4)nc12)OCO3 12181697 WDGKNBXJVWIOJK-UHFFFAOYSA-N 368.393 1.745 0 40 FDAB Cc1ccc2c(c1)CN(C(=O)CN1CCCC1=O)CC1(CCN(C)CC1)O2 12365219 WLMKWRJMASZULT-UHFFFAOYSA-N 371.481 1.803 0 40 FDAB Cc1ccc2c(c1)N(CC(=O)N[C@H](CO)Cc1ccccc1)C(=O)CO2 12899541 PHWZTPFBAGRZIB-INIZCTEOSA-N 354.406 1.440 0 40 FDAB biogenic CCn1nnc2c(N3CCN(C(=O)Nc4ccccc4C)CC3)ncnc21 13535023 OLFGQVCSPDAABV-UHFFFAOYSA-N 366.429 1.904 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)n(C)c3ccc(C)cc23)CC1 19371130 SHYVQVMUNNYDJJ-UHFFFAOYSA-N 372.469 1.849 0 40 FDAB Cn1nc2c(c1C(=O)N1CCO[C@@](C)(C(=O)NC3CCCC3)C1)CCCC2 19746940 MYZYXKPKMAJEOQ-HXUWFJFHSA-N 374.485 1.589 0 40 FDAB CS(=O)(=O)c1nc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)n[nH]1 530262534 SPTCBRYZULFDIT-VIFPVBQESA-N 358.326 1.247 0 40 FDAB CCN1CCO[C@@H](CNCc2c(Cl)cnn2C)[C@@H]1c1cnn(C)c1 657622802 XWLCAUPIYVDNNA-HOTGVXAUSA-N 352.870 1.359 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@@H]32)CC1 659191051 WISJWMNRDUZCOF-PMPSAXMXSA-N 365.474 1.872 0 40 FDAB Cn1nc(C2CCN(c3ncnc4ncccc34)CC2)n(C2CC2)c1=O 1888897104 CGUNBLFDWVOFFE-UHFFFAOYSA-N 351.414 1.639 0 40 FDAB Cc1nnc(N2CC(NC(=O)CCc3nc(-c4ccccc4)no3)C2)s1 1888897467 AXIUPPLTZJIBMO-UHFFFAOYSA-N 370.438 1.834 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888913318 LKCNOROQBZYVKT-STQMWFEESA-N 370.434 1.646 0 40 FDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccc(F)cn1)CCC2 1565542686 VQHVNYHUTAAFMG-UHFFFAOYSA-N 371.416 1.515 0 40 FDAB COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4632241 QBLGRWTYFRDGFV-DDUZABMNSA-N 362.382 1.361 0 40 FDAB CCOc1ccnc2c1c(=O)n(Cc1cc(OC)cc(OC)c1)c(=O)n2C 9571939 BBLJAMVKFDDPME-UHFFFAOYSA-N 371.393 1.559 0 40 FDAB NC(=O)C1CCN([C@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22609142 PAMRWXMUSJVIAX-CYBMUJFWSA-N 357.439 1.783 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)cc1 36437895 ORKNOVZIDSLXAJ-UHFFFAOYSA-N 370.471 1.343 0 40 FDAB Cc1c(Cl)cccc1S(=O)(=O)NCCOCCN1C(=O)CCC1=O 575619780 NEYWZZMXBBSBLK-UHFFFAOYSA-N 374.846 1.092 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)NCc1cccc2ccccc12 575619118 GXOUIBMKMXLVNW-UHFFFAOYSA-N 369.421 1.805 0 40 FDAB Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(C(N)=O)cc1)C(F)(F)F 40049287 HBYZDGKAMWXOKS-CQSZACIVSA-N 356.304 1.298 0 40 FDAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4)[C@H]3C2=O)cc1 100033402 FXBHPJHQRJRUDG-IAGOWNOFSA-N 363.377 1.927 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC(c3nncn3C)CC2)cc1 30596071 CLCMFKCGBBIGGG-UHFFFAOYSA-N 350.444 1.782 0 40 FDAB O=C([C@@H]1CCCO1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 40153499 NEOHSBGNCPFINX-AWEZNQCLSA-N 359.455 1.423 0 40 FDAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1F 51137959 ILLGEDWNEFWPIZ-LLVKDONJSA-N 358.341 1.479 0 40 FDAB COc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 102804569 AHVYHYNUTQFHDT-GJZGRUSLSA-N 372.421 1.661 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 802957 BKBILOAPTOSGRM-UHFFFAOYSA-N 360.391 1.156 0 40 FDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 854397 JNZMKUSTBHINAW-UHFFFAOYSA-N 361.833 1.971 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)[C@H](C)N1CCOCC1 104595457 VCRHIBZFJNRQKR-LNLFQRSKSA-N 373.497 1.907 0 40 FDAB Cc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 928629 OYFRMBJVHJJCAG-UHFFFAOYSA-N 373.438 1.010 0 40 FDAB C[C@H](CS(C)(=O)=O)N(C(=O)c1cncc(Br)c1)C1CC1 78681809 VBRNALVFJUFSHH-SECBINFHSA-N 361.261 1.882 0 40 FDAB COCC[C@H](NC(=O)Nc1cccc(Cn2nc(C)cc2C)c1)C(N)=O 97034170 KKIPBXIUCYWCPE-INIZCTEOSA-N 359.430 1.560 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)O1 24668970 YFHMNEVSOBRZRT-QLFBSQMISA-N 365.499 1.530 0 40 FDAB Cc1cc2nc(N3CCCCC3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C 4830575 OGQTVPDRDZUIRB-BSDSXHPESA-N 361.442 1.255 0 40 FDAB CN(C)C(=O)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 55792637 IBTABAYDZMNNET-INIZCTEOSA-N 360.435 1.649 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(F)(F)F 58185897 VXLRGZJAJRSVRM-UHFFFAOYSA-N 350.362 1.900 0 40 FDAB Cc1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c2cnn(C(C)C)c2n1 10208993 XSTBBPHBWDRCQE-UHFFFAOYSA-N 371.397 1.075 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-n3ccnc3)nc1)CS2 58343870 YTAVHZWLQDMAJI-CXAGYDPISA-N 357.439 1.338 0 40 FDAB Cc1ccc(CN(C)C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)o1 10721525 GLEFBZDVHGVINJ-UHFFFAOYSA-N 361.423 2.000 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)ccc1-n1cnnn1 48354052 DGXRIFOPUFKJMG-CQSZACIVSA-N 356.430 1.804 0 40 FDAB O=C(Cn1ccccc1=O)N1CCN(Cc2ccc(Cl)s2)CC1 23641683 RQLIHMJNFMXSDC-UHFFFAOYSA-N 351.859 1.908 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(F)cc2)cc1 11085928 GWRNXJBSGYWXTJ-UHFFFAOYSA-N 353.371 1.970 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C1CC1)[C@H](C)C1CC1 46056521 ZVHKBYISGQFLTB-CQSZACIVSA-N 374.485 1.637 0 40 FDAB COc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1Br 52539114 WGRMRGWHDQDBTC-UHFFFAOYSA-N 373.247 1.528 0 40 FDAB COCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N(C)C1 20464156 JTJYBUUAWTXLDU-STQMWFEESA-N 350.806 1.898 0 40 FDAB biogenic,in-vitro CC[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1nc(C)cs1 69441975 HTLYUGRGHWJOSX-CQSZACIVSA-N 367.519 1.754 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ns1)c1nncn1C 95461317 CSWMQCIDSMQOMI-JTQLQIEISA-N 356.411 1.755 0 40 FDAB Cn1cnnc1SCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 9114080 GHSAAJZCNTWMGH-UHFFFAOYSA-N 363.424 1.927 0 40 FDAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(C)(=O)=O)s1 13550367 RUWSUXWDVUZDMD-SECBINFHSA-N 359.404 1.877 0 40 FDAB COc1cccc(CN2C[C@@H]3OC[C@H](CCOCC(=O)N(C)C)[C@@H]3C2)c1 306142455 WZODRBYXJRMTOG-WDSOQIARSA-N 362.470 1.637 0 40 FDAB Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 6237211 NYTVVBDIUSYVLB-UHFFFAOYSA-N 364.402 1.071 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(O)nc2)CC1)Nc1cccc(F)c1 14139970 GLZSWDUTCOBQPX-UHFFFAOYSA-N 358.373 1.323 0 40 FDAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)nc(N)n1 7020696 MSKHWGSIHAUMDD-UHFFFAOYSA-N 358.880 1.892 0 40 FDAB CCn1c(CC2CCN(C(=O)c3cccc4[nH]c(C)nc34)CC2)n[nH]c1=O 67472729 OFIBZVGOFYHPQT-UHFFFAOYSA-N 368.441 1.871 0 40 FDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7219092 FUNKIHSGQNMBOS-AWEZNQCLSA-N 372.443 1.520 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(C3CCOCC3)n[nH]2)c1 72301359 QXFCTXMNEGFKAP-UHFFFAOYSA-N 364.427 1.928 0 40 FDAB COC(=O)CCCNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 16339477 WESCLQBSTGONOG-OAHLLOKOSA-N 362.426 1.664 0 40 FDAB NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 16844213 CLRVCYGVMWNRCE-UHFFFAOYSA-N 369.443 1.497 0 40 FDAB COc1cccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1 19924195 PCARVAWMVBMWCX-UHFFFAOYSA-N 353.386 1.905 0 40 FDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306139731 TYUPIAQSAXDZSJ-GJZGRUSLSA-N 357.433 1.860 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cn2ccccc2n1 8706401 OBEOHZRNVFBXLC-UHFFFAOYSA-N 352.350 1.109 0 40 FDAB Cc1ccc2c(c1)CCCN2CC(=O)NCc1ccc(S(N)(=O)=O)cc1 8720687 TYKRLZWUQFQCOH-UHFFFAOYSA-N 373.478 1.711 0 40 FDAB O=S(=O)(NCCc1ncn[nH]1)c1ccc(Br)cc1Cl 96767304 BVWOPLUEAAMEFX-UHFFFAOYSA-N 365.640 1.742 0 40 FDAB Cc1[nH]c(=S)sc1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 9752215 QXDVHRMZMMFXES-UHFFFAOYSA-N 354.457 1.943 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(N)s2)n1 9836443 DKTXJAPPRNXFSW-UHFFFAOYSA-N 359.458 1.413 0 40 FDAB NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCN(C3CC3)CC2)c1 89762069 ZBJYCVKCBCKGTL-UHFFFAOYSA-N 361.826 1.047 0 40 FDAB O=C1NC(=S)NC(=O)C1=C1C(=O)N(Cc2ccccc2)c2ccccc21 409121628 ZAQPLLJGESRAQW-UHFFFAOYSA-N 363.398 1.518 0 40 FDAB CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 32103637 DXFWDHIBKYQHDE-KRWDZBQOSA-N 365.433 1.814 0 40 FDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)N4CCOCC4)n3)ccc12 32074393 YDEZXANARFYPNA-UHFFFAOYSA-N 371.349 1.536 0 40 FDAB biogenic Cc1cc(C(=O)Nc2nnc(SCC(=O)N3CCCC3)s2)no1 70634975 HMLKCTWEMMHUOZ-UHFFFAOYSA-N 353.429 1.801 0 40 FDAB C[C@@H]1CCc2nc(NC(=O)CCn3cnc4c(cnn4C)c3=O)sc2C1 36648054 RRVGEJKBCFUYGZ-SNVBAGLBSA-N 372.454 1.740 0 40 FDAB Cc1cccc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 223616373 QGORORQELPKCRF-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 223276769 FBLGXNWVMCPNMN-UHFFFAOYSA-N 356.350 1.890 0 40 FDAB CCn1cc(Cl)c(C(=O)NCCn2cnc3ccsc3c2=O)n1 225776561 INDCPUHNXCJECO-UHFFFAOYSA-N 351.819 1.758 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCc1cnc2ncnn2c1 225642592 AFZKMMXFAFYCLR-GQCTYLIASA-N 351.366 1.615 0 40 FDAB COc1cccc(OC)c1CNS(=O)(=O)c1ccc2c(c1)OCCO2 223727788 KARRYBBTMGNTLR-UHFFFAOYSA-N 365.407 1.954 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)N(C)C)C[C@H]1CN(c1ncccn1)C2 96056072 BFOYTJILFVHCFS-KSSFIOAISA-N 361.446 1.240 0 40 FDAB COCCC(=O)N1CCC[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 96224399 QECZDCYMTDPTEV-QGZVFWFLSA-N 351.472 1.829 0 40 FDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 96218548 ROAPJOTZEJVATH-VQTJNVASSA-N 355.486 1.786 0 40 FDAB Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COc3ccccn3)C2)on1 96208935 YDDNQRLBGGMITN-AWEZNQCLSA-N 353.382 1.926 0 40 FDAB O=S(=O)(NC[C@]12COC[C@H]1CN(C1CCCC1)C2)c1ccccc1 96108514 KKIPRDCIUYKKGQ-QAPCUYQASA-N 350.484 1.856 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96048681 GLEKWZCCEAQPBU-LJQANCHMSA-N 351.410 1.527 0 40 FDAB Cn1cc(N2C[C@]3(COCCN(Cc4cccs4)C3)OCC2=O)cn1 96051420 MWFREVIALFWDFC-QGZVFWFLSA-N 362.455 1.116 0 40 FDAB Cc1ncsc1CN1CC2(CC[C@@H](CNC(=O)c3ccno3)CO2)C1 248061424 VWIKBNJNSRIRCA-ZDUSSCGKSA-N 362.455 1.851 0 40 FDAB CN1C(=O)C2(CCN(Cc3cn(C)cn3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 257288480 PUIWYWDBBCICME-MOPGFXCFSA-N 368.481 1.967 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)c3sccc3C)C2)CN1CC1CC1 253598321 IAUNCTGDGQUFCT-CQSZACIVSA-N 363.483 1.108 0 40 FDAB O=C(NCCCn1ncccc1=O)[C@@H]1CCCN1c1nc2ccccc2o1 618255580 SWIJVMBPWSUPCY-HNNXBMFYSA-N 367.409 1.560 0 40 FDAB COc1ccc(-c2nc(=NCc3nnc4n3CCOCC4)cc[nH]2)cc1 1615556098 BTCMMRHECUZWHV-UHFFFAOYSA-N 352.398 1.350 0 40 FDAB CC(=O)N[C@@H]1CN(C(=O)CCc2ccccc2O)C[C@H]1c1nccn1C 1615546417 GYJGNDUKVLQZJD-HZPDHXFCSA-N 356.426 1.189 0 40 FDAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)cc1 659222181 JPXMVLYHDTXFLQ-JKSUJKDBSA-N 370.409 1.952 0 40 FDAB O=C(O)COc1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 659760794 RQLACYRUMSLUBV-YOEHRIQHSA-N 363.410 1.448 0 40 FDAB NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)[C@H](C(=O)O)C2CCCC2)CC1 663054407 NDEVIGSUWLZVDL-RRFJBIMHSA-N 352.431 1.006 0 40 FDAB O=C(NCc1nccc(C(F)(F)F)n1)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 663232025 SOECBTPXEQBYNN-VHSXEESVSA-N 358.320 1.192 0 40 FDAB Cn1cc(CN2CC[C@@H](N[C@@H]3CCCc4cccnc43)C2)c(C(N)=O)n1 1775961657 QNKSMOLEEAGZHZ-HZPDHXFCSA-N 354.458 1.156 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575404477 MVVACGPAWOGCHP-INIZCTEOSA-N 370.434 1.930 0 40 FDAB Cn1ccc(CC(=O)N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@H]32)n1 585108291 TYXJLUCZOFMIHM-BHIYHBOVSA-N 370.453 1.580 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109430 OVWFVGYWLIWSPH-FGTMMUONSA-N 358.438 1.459 0 40 FDAB Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)n1 585108446 LUIPLEKFGAGBFG-APWZRJJASA-N 371.441 1.438 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)C1 858582777 DBMJMWMKKMVNCJ-KWCYVHTRSA-N 369.890 1.662 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccc(F)cc1 40061832 KCXYJQRZORZFBG-CQSZACIVSA-N 370.340 1.613 0 40 FDAB COCCNc1nnc(SCN2C(=O)c3ccccc3C2=O)s1 5078529 ORGWPVUEPGBISM-UHFFFAOYSA-N 350.425 1.942 0 40 FDAB CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccco4)CO[C@H]23)n1 5433888 YAGPSXFNEZWYFR-YXAMBPQSSA-N 372.425 1.744 0 40 FDAB biogenic,in-vitro Cc1cc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)nc2C(C)C)on1 13226124 KLBCBTROPNZQFM-ZDUSSCGKSA-N 360.414 1.625 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268068 ZVRATRIDWHGTSI-WFASDCNBSA-N 355.398 1.524 0 40 FDAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc(C(F)(F)F)c1 13636885 MNGNIHLMTZCEOY-NXEZZACHSA-N 362.329 1.719 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15272575 NEZUZHGFPUHKDB-UHFFFAOYSA-N 360.863 1.891 0 40 FDAB C[C@H]1CCCN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)C1 19496513 RLBNPKFZAZVPAZ-JKSUJKDBSA-N 357.502 1.560 0 40 FDAB CN(C)c1nccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)[C@H]2CCCO2)n1 19585796 SKFMSGWQAIMDHZ-LSDHHAIUSA-N 356.430 1.775 0 40 FDAB CCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 19699849 DOKUDPZPUADYKJ-AWEZNQCLSA-N 350.463 1.182 0 40 FDAB COc1ccc([C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C2CC2)cc1 19716128 RKIXGOBCTCBIFJ-QGZVFWFLSA-N 367.409 1.406 0 40 FDAB Cn1c(N)c(NC(=O)C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 1649299 QRWWBCMWCSTAOJ-UHFFFAOYSA-N 364.405 1.437 0 40 FDAB CCNC(=O)NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 18031490 JSVJIWXSWNJXNL-UHFFFAOYSA-N 368.440 1.184 0 40 FDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N2CCCC2)cc1C 4438386 WFSBSCRXVMTSSM-CQSZACIVSA-N 368.455 1.136 0 40 FDAB Cc1cc(N2CCN(c3nnc(C)s3)CC2)nc(N2CCOCC2)n1 1888909455 OQAMWHWODLIBQE-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB Oc1nc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(C2CC2)c1F 1888919418 FMLCCXXVOYUBQO-UHFFFAOYSA-N 356.365 1.192 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3COc4ccccc4O3)cnc12 13984876 DZKGOAUIHOTJSJ-CQSZACIVSA-N 365.389 1.661 0 40 FDAB Cn1nc2c(c1CN1CCN(c3ccc(-n4cccn4)nn3)CC1)CCC2 2087145397 VQTWOHKSQRSAOS-UHFFFAOYSA-N 364.457 1.207 0 40 FDAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)NCc4ccon4)OC[C@H]3C2)n1 1565541577 XQEZJRMSMWJUJG-OIISXLGYSA-N 371.441 1.629 0 40 FDAB COc1cnccc1C(=O)N1CCC2(CC1)CC(C(=O)NC1CCC1)=NO2 1565556403 SNKYOSJFDDOPSX-UHFFFAOYSA-N 372.425 1.510 0 40 FDAB Cc1sc(NC(=O)CS(=O)(=O)c2ccccc2)c(C(N)=O)c1C 5144901 YMGWIWFTTRWRJK-UHFFFAOYSA-N 352.437 1.876 0 40 FDAB CN1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 9174627 LTMKOCORIFNFRZ-UHFFFAOYSA-N 359.407 1.816 0 40 FDAB O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc3nncn3n2)CC1 13700314 QUIQIFNUNLFUNQ-UHFFFAOYSA-N 359.340 1.757 0 40 FDAB CC(C)CN1CC2(CCN(c3ncccn3)CC2)[C@]2(CCN(C)C2=O)C1 2055795858 JVXTYADCRFSOIX-HXUWFJFHSA-N 357.502 1.883 0 40 FDAB O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cccnc1 206846427 MPQUJIGHEICXTG-AWEZNQCLSA-N 372.406 1.919 0 40 FDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCO)CSC3)c(C)c1 5437860 OQFKITUGFIRXCM-UHFFFAOYSA-N 360.439 1.283 0 40 FDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 101342650 BUSNJYUATAMIJI-TZMCWYRMSA-N 362.748 1.814 0 40 FDAB CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20722183 JENDVWARPMDSSL-NSHDSACASA-N 357.332 1.311 0 40 FDAB COc1ccc(CN(C)C(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1F 32738214 PUMUNOFCJOSSMC-UHFFFAOYSA-N 365.405 1.903 0 40 FDAB O=C(Cn1nc(O)c2ccccc2c1=O)OCc1nnsc1Cl 21602029 OLJVNXAYRANRGU-UHFFFAOYSA-N 352.759 1.350 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC(c3ccccc3)CC2)C1=O 32909485 ILWWYRJFYHYSMF-IBGZPJMESA-N 358.442 1.618 0 40 FDAB COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1Cl 32916435 ZGOOJFYRXVGTMV-UHFFFAOYSA-N 369.270 1.719 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2nccs2)CC1 22413337 HZCGBBHMCODRMV-UHFFFAOYSA-N 373.481 1.502 0 40 FDAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCCC2)c1 932281 JEPBLPCOZHDTKG-UHFFFAOYSA-N 363.443 1.784 0 40 FDAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)N[C@@H]1CCS(=O)(=O)C1 42872318 YMUIQEKLGBRWMG-DZGCQCFKSA-N 370.471 1.165 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3O)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4560589 QYHDAPSRVVKNBC-PAURTPPISA-N 365.382 1.727 0 40 FDAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 4742568 JXCOSKURGJMQSG-AZQJGLEESA-N 366.498 1.653 0 40 FDAB endogenous,in-man C[C@@H]1CN(S(=O)(=O)CCNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 106060543 MKLDJEGVOUONAK-RBGFHDKUSA-N 358.504 1.368 0 40 FDAB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)c(C)cc1OC 6958468 IBNOXOYKJWUUHX-GHXNOFRVSA-N 364.423 1.633 0 40 FDAB O=C1CC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)N1 61965526 UVSKVAVCOYLOKJ-LBPRGKRZSA-N 370.236 1.556 0 40 FDAB CC(=O)Nc1nc(C(=O)OCC(=O)NCCc2ccc(F)cc2)cs1 43768303 NFPNFBXXXGCVNY-UHFFFAOYSA-N 365.386 1.756 0 40 FDAB 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351.160 1.617 0 40 FDAB CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 12983760 CUWMTZFVVPRDOE-GOSISDBHSA-N 371.412 1.927 0 40 FDAB NC(=O)CSc1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 12923453 VOAAGXQRVKKPHG-UHFFFAOYSA-N 374.447 1.674 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCC3)ccc1Cl 13252541 SDKGKZRHUZNQQM-UHFFFAOYSA-N 356.791 1.054 0 40 FDAB O=C(N1CCOCC1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005014 LPTHGOZGKREAGN-HNNXBMFYSA-N 353.444 1.345 0 40 FDAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1OC 49551530 NLRXHAZUUXJUSZ-INIZCTEOSA-N 367.409 1.791 0 40 FDAB COc1cc(C(=O)N2CCOC23CCN(C)CC3)cc(OC)c1OC 13691848 PLHGJCSHXATUSJ-UHFFFAOYSA-N 350.415 1.607 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 5387871 BOKZTKFOIADMMA-UHFFFAOYSA-N 353.334 1.929 0 40 FDAB COc1ccnc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 14171825 VUXCPUUYQLMQJP-UHFFFAOYSA-N 362.455 1.695 0 40 FDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(N2CCCS2(=O)=O)c1 14268384 RIWNVELECURHMR-UHFFFAOYSA-N 372.406 1.648 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 14251969 QRCKQLURDRBYPT-HUUCEWRRSA-N 357.410 1.550 0 40 FDAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 95455003 KUEBJHVFIKDWPN-MRXNPFEDSA-N 370.457 1.650 0 40 FDAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc2c1OCCO2 7127897 FANRFAZHAMUGHA-MRXNPFEDSA-N 351.366 1.912 0 40 FDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1Cl 9537186 HDYPMSMWKXKLBL-LLVKDONJSA-N 360.819 1.280 0 40 FDAB COCCN1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1=O 91836430 YUEGMCGYAHPMPQ-UHFFFAOYSA-N 352.341 1.305 0 40 FDAB Cc1nn(C)c(Cl)c1CNC[C@@H](O)COc1ccc2c(c1)OCO2 72037626 UZZDIGIBJCHGAP-LLVKDONJSA-N 353.806 1.640 0 40 FDAB Cn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)c2ccccc2c1=O 8756633 FMOBJOILAQSSTM-OAHLLOKOSA-N 367.361 1.065 0 40 FDAB CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCOCC2)C1=O 20686135 GOZQNVGYOAPGMC-INIZCTEOSA-N 361.442 1.029 0 40 FDAB CSc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 95998990 FHLZTBWOKFZMNH-LBPRGKRZSA-N 374.484 1.268 0 40 FDAB Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCOc2cccc(F)c21 95994685 ZEOWARFBUXWYMJ-UHFFFAOYSA-N 356.400 1.882 0 40 FDAB Cc1cnn(-c2ccc(S(=O)(=O)N3CC[C@@H](N)C[C@H]3C)cc2F)c1 521394643 MSFUVFGBDIHKSE-CHWSQXEVSA-N 352.435 1.820 0 40 FDAB CCCc1onc(C)c1C(=O)N1CC2(C1)[C@@H](COCC)CCS2(=O)=O 306144199 YYVWDSVKOWPZHN-CYBMUJFWSA-N 370.471 1.601 0 40 FDAB CCN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccc(C)cc1 78400968 ACBSOZBAFIPUDT-UHFFFAOYSA-N 353.400 1.606 0 40 FDAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321222 MSGCXMNJYVQBJG-IEBWSBKVSA-N 355.394 1.501 0 40 FDAB biogenic,in-vitro CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1Br 73742945 LGMQNKKHNYXDII-LLVKDONJSA-N 354.248 1.988 0 40 FDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 44816259 UDFXTGWEMGYAAW-ZFWWWQNUSA-N 356.378 1.584 0 40 FDAB Cn1cc(-c2ncccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cn1 529083054 WUKQQIDKFKGHPL-PJGQNWHFSA-N 359.455 1.999 0 40 FDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCCS1(=O)=O 570524930 BPRFYIKXERPHRD-HNNXBMFYSA-N 364.398 1.551 0 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359.401 1.943 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4scnc4C)CC3)[C@H]2C1 585106091 KZBWADYMQHFIDB-KGLIPLIRSA-N 362.499 1.514 0 40 FDAB OC1(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CCCCC1 585285330 XMIFMMRTXATVIM-FQEVSTJZSA-N 356.470 1.856 0 40 FDAB COc1cccc([C@@H]2CO[C@]3(C2)CN(C(=O)c2ncccn2)C[C@H]3O)c1 585288274 SSZLXBWQOWCAFJ-ZSZQSSIHSA-N 355.394 1.245 0 40 FDAB O=C(COc1ncccn1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585285022 LJHUGPZUXFAKRN-QGPMSJSTSA-N 357.410 1.580 0 40 FDAB CCn1cc(C(=O)N2CCOC[C@](O)(CC(=O)NC)C2)c2ccccc21 585281165 UNAMAFPCYGITEE-IBGZPJMESA-N 359.426 1.001 0 40 FDAB Cn1ncc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1-n1cccc1 40108533 NYHYWRVEUVJEGR-UHFFFAOYSA-N 350.382 1.993 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1 59006967 DQILEMUGLJMANY-UHFFFAOYSA-N 359.367 1.250 0 40 FDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccccc2F)NC(=O)N[C@H]1C 5078911 JMFVYEJZJZUHHX-FBOQAHMBSA-N 362.357 1.901 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615127794 HDILXEVHNAGDOR-UHFFFAOYSA-N 370.384 1.654 0 40 FDAB O=C(c1ccccn1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142317 ANLXFSCNAKUUDL-UHFFFAOYSA-N 358.423 1.418 0 40 FDAB Cc1cc(C(=O)N2CCC(c3nc(O)c4c(n3)CN(C)CC4)CC2)on1 19119747 PEPJCHDYXQFACI-UHFFFAOYSA-N 357.414 1.486 0 40 FDAB CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH]c1=O 19521592 PVAZQIGVUCNNHZ-INIZCTEOSA-N 368.437 1.795 0 40 FDAB CCc1nc2ccccc2c2nn(CC(=O)NCc3ccco3)c(=O)n12 19523257 AOWBNKJVZKPOPZ-UHFFFAOYSA-N 351.366 1.516 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCCCC2)n1 211096037 PNKCUXMJAOZMGA-UHFFFAOYSA-N 351.432 1.550 0 40 FDAB CN(C)c1nc(CNC(=O)Nc2cccs2)nc(N2CCOCC2)n1 575605871 NNSPNSVWVLQXAV-UHFFFAOYSA-N 363.447 1.157 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)CC(C)C)C[C@H]4C3)n1)CCC2 1888869724 WRCYMVGAQFIEOF-HUUCEWRRSA-N 364.515 1.628 0 40 FDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4cccc(=O)n4C)CC3)O2)n1 1614947458 XOOCSELKQCQOHX-CQSZACIVSA-N 358.398 1.603 0 40 FDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2 1565549811 DWNFJLQAXDUUHT-UHFFFAOYSA-N 367.413 1.743 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)N3CCCC[C@H]3CCO)CC2=O)cc1 5190570 TXGAFZOAJCPKHM-GJZGRUSLSA-N 361.442 1.747 0 40 FDAB O=S(=O)(c1cccnc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 12443536 NACVNJGYEPWUDW-UHFFFAOYSA-N 371.422 1.643 0 40 FDAB CN(C(=O)c1ccn(C)n1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775970295 AMCHQNMLCSMMKA-UHFFFAOYSA-N 366.429 1.086 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncc(F)cn4)C3)n2)n1 585606021 RBZMUFXBJOEEGU-UHFFFAOYSA-N 355.377 1.111 0 40 FDAB CC1CCN(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 40058676 LKXNHWRAYMHJHA-UHFFFAOYSA-N 359.879 1.636 0 40 FDAB Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 100545977 AQNVIXFHOBUMTK-SDADXPQNSA-N 367.405 1.946 0 40 FDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cnn(C)c1 32539903 AXGKSWJPMBMEMY-HNNXBMFYSA-N 357.458 1.716 0 40 FDAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 32830632 AFXXEOPYSZCIAA-UHFFFAOYSA-N 351.362 1.719 0 40 FDAB O=C(OCc1ccc(Cl)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 21845519 JZGAOFCJVFJJGN-UHFFFAOYSA-N 352.799 1.881 0 40 FDAB COC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)[C@@]12C(=O)Nc1ccccc12 706087 YVMDEXGZYCWOHZ-IBGZPJMESA-N 372.377 1.476 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 807163 PGNKPXQYQQXEIN-CQSZACIVSA-N 370.471 1.437 0 40 FDAB O=C(CCNc1ccc2nnnn2n1)Nc1ccc(Br)cc1 54125162 MEAOVDLZKBWEOM-UHFFFAOYSA-N 362.191 1.723 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(CN3CCOCC3)CC2)c1 47423344 LOHNXEZPMHHTTC-UHFFFAOYSA-N 373.497 1.604 0 40 FDAB CCC[C@H](N[C@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 3831300 IPVQLZZIHOAWMC-IBEHDNSVSA-N 368.474 1.941 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c(OC)c1 4537343 HSLOIUWPQUOIDX-QFBVAWSSSA-N 358.394 1.673 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 4559883 IHIIXTOFXQNUHT-QEOTZNIISA-N 351.399 1.116 0 40 FDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6741990 WYOAYKCLBQDJSK-HCXYKTFWSA-N 354.450 1.896 0 40 FDAB CCCN1C(=O)/C(=C\Nc2ccnn2Cc2ccccc2)C(=O)NC1=S 6907452 KXGIERYLKKCGHP-KAMYIIQDSA-N 369.450 1.881 0 40 FDAB O=C(CSc1ncc2ccccn12)N1CCN(c2ncccn2)CC1 12529435 ONDYNXCZENWRPS-UHFFFAOYSA-N 354.439 1.565 0 40 FDAB O=c1/c(=C/c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)nn12 1481389 QTRXGCNDQOURBW-ZSOIEALJSA-N 350.359 1.489 0 40 FDAB CCOc1ccccc1-n1nnnc1SCC1(CS(C)(=O)=O)CC1 89272197 HJDLAWGYISSMDD-UHFFFAOYSA-N 368.484 1.978 0 40 FDAB C[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccc(S(N)(=O)=O)cc1 8403909 XKTIQVOEXOFTNK-SNVBAGLBSA-N 364.452 1.254 0 40 FDAB CCN(Cc1ccccc1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 57363824 UFXLKRQMRGQOIX-UHFFFAOYSA-N 357.435 1.774 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H](Cc1ccccc1)C(=O)O 2097537 WXYDMCJVPXMMKH-INIZCTEOSA-N 367.357 1.984 0 40 FDAB biogenic O=C([C@@H]1CC=CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58191919 PLTFMORMOQZWGE-CQSZACIVSA-N 374.466 1.752 0 40 FDAB COCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(Br)c1 58167134 HCKIWZKLZWZOEY-SNVBAGLBSA-N 364.261 1.515 0 40 FDAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccc(OC)cc1 23115389 BVZRAHHHEAZDFG-UHFFFAOYSA-N 360.439 1.787 0 40 FDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c(=O)n(C)c1=O 58200875 GCHOIJZLCHNLHL-KBOKABMXSA-N 371.412 1.470 0 40 FDAB Cc1c(C(N)=O)sc2nc(CCn3c(=O)oc4ccccc43)[nH]c(=O)c12 58208709 DCSXREWHAXHMOD-UHFFFAOYSA-N 370.390 1.543 0 40 FDAB C[C@@H]1c2cccn2CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 12771646 LWPIKTIGAKBIOC-GFCCVEGCSA-N 356.382 1.942 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 3301195 RDPYDFPVMMWUSE-UHFFFAOYSA-N 361.398 1.856 0 40 FDAB NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3 2241574 CFNHADLXRJXJRK-UHFFFAOYSA-N 373.434 1.620 0 40 FDAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(N)s2)n1 2419736 PTGDBYAQJCOETB-UHFFFAOYSA-N 362.444 1.932 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12863000 OOWSFQVEKYROSU-YOEHRIQHSA-N 352.818 1.938 0 40 FDAB O=S1(=O)C[C@H](NC2CCCCCC2)[C@@H](S(=O)(=O)c2ccccc2)C1 13371320 QYRXPXCSUUCLEG-IRXDYDNUSA-N 371.524 1.938 0 40 FDAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 9134746 AAOAPYYJGWCCJZ-OAHLLOKOSA-N 357.797 1.790 0 40 FDAB CCOCCCNC(=O)[C@@H](NC(=O)CNC(C)=O)c1ccc(Cl)cc1 4103820 QBQGZJINJNMLOJ-INIZCTEOSA-N 369.849 1.176 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 5000118 GTAWFOUYMMIIRU-UHFFFAOYSA-N 367.361 1.126 0 40 FDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 66379912 NTLPQJHVXIOZOK-ZDUSSCGKSA-N 354.414 1.537 0 40 FDAB COc1ccc(NC(=O)COc2ccccc2P(=O)(O)O)c(OC)c1 9306001 DAIJIZTXIKELLE-UHFFFAOYSA-N 367.294 1.524 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c(Cl)c1 83850972 JQYVMOHULKYBKB-GFCCVEGCSA-N 360.863 1.841 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 9614682 FETWLLVYPLZWLD-LBPRGKRZSA-N 365.455 1.454 0 40 FDAB COc1ccccc1CN1C(=O)[C@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409288923 JTTPUMVOTROJMF-DRMAHVMPSA-N 357.362 1.067 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c1C 8985562 HIIXGHHQRMIAFO-SNVBAGLBSA-N 353.375 1.198 0 40 FDAB CN(Cc1cccn1C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 97015252 SGNBFFSTVFLDNH-IBGZPJMESA-N 354.410 1.451 0 40 FDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 172197270 IONNVQDZDGJGDN-CYBMUJFWSA-N 354.453 1.433 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cn3cccnc3n2)C1 547683971 ABXONHWRNHEMHF-KRWDZBQOSA-N 356.455 1.732 0 40 FDAB Cc1ccc(N2CCCN(C(=O)c3ccnc(-n4cccn4)c3)CC2)nn1 121477467 XNOSVMRYHZFOSH-UHFFFAOYSA-N 363.425 1.718 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 306125203 CJDYSIMLMNOVBM-KGLIPLIRSA-N 355.417 1.614 0 40 FDAB COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(OC)c1OC 409148822 SHBONHRDOCYOAN-UXBLZVDNSA-N 353.352 1.833 0 40 FDAB CSc1nnc(Cn2c(=O)c3c4c(sc3n(C)c2=O)CCC4)o1 32096117 KLXWTACTRDJWRS-UHFFFAOYSA-N 350.425 1.404 0 40 FDAB COc1ccc(CCNC(=O)CCc2nnc3ccc(OC)nn23)cc1 71285147 STCOMXWMTVKEIR-UHFFFAOYSA-N 355.398 1.433 0 40 FDAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 33777437 VIURTAWXEFPNNE-GFCCVEGCSA-N 358.460 1.677 0 40 FDAB N[C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 562758944 VGHMBXQMWNVXOD-SMDDNHRTSA-N 373.379 2.246 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2)CC1 75158040 SOTBDBXRAUAXLV-UHFFFAOYSA-N 368.434 1.037 0 40 FDAB CC(C)Cc1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cn1 529091896 PVPXWAIHPLXGND-KGLIPLIRSA-N 352.460 1.859 0 40 FDAB CCOC(=O)C(C(=O)OCC)[C@H]1C(=O)N(C(C)(C)C)C(=O)N1C(C)(C)C 80443679 FGSQECFKDOBWOM-LBPRGKRZSA-N 370.446 1.959 0 40 FDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CC1=O 331509363 TXMPCAGKOYCSHK-NHYWBVRUSA-N 365.396 1.875 0 40 FDAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cnn(C)c1)CC2 96260331 OAKZEIOKFGRQFK-UHFFFAOYSA-N 370.501 1.620 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1nccs1)C2 96039758 BBWJJVMWFKHJQI-PBHICJAKSA-N 353.488 1.619 0 40 FDAB COc1ccc(S(=O)(=O)N2CCc3c(CN(C)C)nn(C)c3C2)cc1 96255883 YGHCLNSZEHRKOB-UHFFFAOYSA-N 364.471 1.237 0 40 FDAB COc1cccc(CN2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)c1 247865289 ARNMWWBBDMZZLX-SFHVURJKSA-N 374.481 1.925 0 40 FDAB Cc1ccccc1C(=O)N1CC2(CC[C@H](CNS(C)(=O)=O)CO2)C1 248143728 GODNGIJXZDPOFX-CQSZACIVSA-N 352.456 1.165 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)c2ccccc21 257335030 YIJZWSOONJGMEI-PXNSSMCTSA-N 356.470 1.863 0 40 FDAB CC(C)[C@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260897576 NCOVTFZQXZBQIB-STQMWFEESA-N 370.471 1.773 0 40 FDAB O=C(O)c1ccc2c(c1)CCN(S(=O)(=O)N1C[C@H]3CC[C@H]1C3)CC2 365098532 UCEZDUCEIUCRLM-LRDDRELGSA-N 350.440 1.515 0 40 FDAB C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1nc2c(F)c(F)c(F)cc2s1 284658020 DQSRUVWXZWALHS-RXMQYKEDSA-N 367.374 1.932 0 40 FDAB O=C(O)C1(C(=O)Nc2cnn(CCN3CCOCC3)c2)CCCCCC1 663108861 WBBOOSDLUNKWOX-UHFFFAOYSA-N 364.446 1.579 0 40 FDAB O=C(O)c1cccc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)c1 681570344 KDIYHBRPDJCYKJ-UHFFFAOYSA-N 366.439 1.205 0 40 FDAB CC(C)C1(C(=O)NCC[C@H](C)NC(=O)CNC(=O)Cc2ccccc2)CC1 1775992285 QMSJMTJRHCYMGU-INIZCTEOSA-N 373.497 1.793 0 40 FDAB CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CCC12CCOCC2 1615550184 SURGKGLSBTYJIC-UHFFFAOYSA-N 364.417 1.835 0 40 FDAB CS[C@@H](C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 600315953 XSVCLZXWVNLPQW-OAHLLOKOSA-N 359.455 1.645 0 40 FDAB COC(=O)[C@H]1CCn2c(nnc2-c2sc(N3CCOCC3)nc2C)C1 601045657 YAENXFGMWGVCPG-NSHDSACASA-N 363.443 1.282 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)COc1ccc(Cl)c(F)c1 643946614 FRYITISINKGZQP-INIZCTEOSA-N 358.797 1.612 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C(=O)CC2CC2)Cc2cncn21 585095921 CCPKGHLSGODJNW-MRXNPFEDSA-N 358.467 1.987 0 40 FDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCCn2ccnc2)CCO1 585275948 BMCLBMUWSGSHBF-FQEVSTJZSA-N 357.454 1.804 0 40 FDAB COCCN([C@H]1CCSC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C 51135726 WSCSJXRVPNIFDB-AWEZNQCLSA-N 373.496 1.924 0 40 FDAB O=C(NCCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccc(F)cc1 59119278 DWZKKISYXOPLGX-OAHLLOKOSA-N 361.421 1.719 0 40 FDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CCO 84742920 DHBYEPXIMKWFNB-JSGCOSHPSA-N 367.471 1.171 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 96104530 YWFHGVOIYUBSDR-MRXNPFEDSA-N 352.456 1.109 0 40 FDAB CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1sccc1-n1ccnn1 578969988 XGEXJLXYBPGOTP-NFAWXSAZSA-N 361.471 1.653 0 40 FDAB Cc1cc(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)n2nc(C)cc2n1 585593214 NEDVXYMVAMVUKE-UHFFFAOYSA-N 363.429 1.417 0 40 FDAB CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594929 HRUZFHREFWIXKY-IIAWOOMASA-N 370.444 1.529 0 40 FDAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H]1CCS(=O)(=O)C1 5507870 VDVFGIVNUIFPAR-INIZCTEOSA-N 373.430 1.600 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 5365500 BCUANFWFGYZMRU-UHFFFAOYSA-N 373.287 1.723 0 40 FDAB O=C(CN1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1nccs1 12144541 AJBDWATXEIQNLT-UHFFFAOYSA-N 374.470 1.214 0 40 FDAB CCCCn1c(N)c(N(CCOC)C(=O)CC2CCCC2)c(=O)[nH]c1=O 12920332 FKQFQWFFEJXAAL-UHFFFAOYSA-N 366.462 1.479 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)Nc4ccccc4F)CC3)ncnc21 13534882 JFEWAVNKAZPKIE-UHFFFAOYSA-N 370.392 1.734 0 40 FDAB Cc1cc(S(=O)(=O)NC2CC2)c(C)n1S(=O)(=O)c1ccccc1 13585858 OTROPQGSWALHFP-UHFFFAOYSA-N 354.453 1.783 0 40 FDAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nn1cnnc1 16711935 OOGGUKLCWNSLAY-XOHVCTMJSA-N 355.379 1.641 0 40 FDAB COC(=O)[C@@]1(C(C)C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19446083 LPXSMCWEPXOGPJ-NUXNZHGMSA-N 364.829 1.783 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccc(OC)c2)no1 19659607 WKAUHULHCYHTPC-AWEZNQCLSA-N 358.398 1.415 0 40 FDAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)CCN2CCc3ccccc32)CCO1 19747748 QSENFYMFEFUVTN-IBGZPJMESA-N 371.481 1.725 0 40 FDAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 19936535 OBHFPADBJWHAJW-UHFFFAOYSA-N 362.407 1.661 0 40 FDAB CC(=C\C(=O)O)/C=C(\C)C[C@](C)(O)CCCC[C@@H](O)[C@@H](CO)C(=O)O 31160664 NFWPIHPKFCOGJO-WCEMBVQWSA-N 358.431 1.719 0 40 FDAB biogenic,in-vitro CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)nn1 1888859912 QCHVDWBZFJAYID-OKILXGFUSA-N 352.442 1.773 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c(C)o1 1888879688 XTPNGDWYNAUOID-ZIAGYGMSSA-N 366.425 1.782 0 40 FDAB Cc1cc(N2CCCC2)nc(N2CCN(c3nccn4nccc34)CC2)n1 1889148790 MNYJBGZVNGLGFA-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB COc1ccc(CN(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1F 24958732 VAKGLWXXMPFZAN-AWEZNQCLSA-N 372.396 1.923 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ncccn1)CCO2 1565552803 XMWQPSSKONHUTA-UHFFFAOYSA-N 369.425 1.854 0 40 FDAB CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(F)cc1 4496424 YGAUXIXFFBCYKO-UHFFFAOYSA-N 356.400 1.659 0 40 FDAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2)CN1c1ccc2c(c1)OCO2 9037282 WQOXJKZCRNUYFY-CYBMUJFWSA-N 374.418 1.747 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccccc1F 9571229 UMLDDXDTBWLWQF-UHFFFAOYSA-N 369.328 1.558 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccccc2C)C1 2055771969 NLDFXERUTKLVPR-IBGZPJMESA-N 356.426 1.334 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC1CC1 22907376 ZGBWJKRCANTOKK-QGZVFWFLSA-N 353.422 1.774 0 40 FDAB Cn1cncc1C(=O)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974922 XIWGNGWQQROKLK-UHFFFAOYSA-N 353.357 1.480 0 40 FDAB Cc1cccc(CC(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)c1 19234862 JPPQLZVJERMSSQ-INIZCTEOSA-N 364.453 1.571 0 40 FDAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 31430020 VHNXLHQMVSPCFI-CYBMUJFWSA-N 357.414 1.725 0 40 FDAB COc1ccccc1CNC(=O)C1CCN(c2ccc3nncn3n2)CC1 20718806 BLDBECSPTAYIQI-UHFFFAOYSA-N 366.425 1.666 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCc1ccc(F)cc1 32768111 IVKVXBPQAVADMV-LLVKDONJSA-N 369.418 1.456 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2nc[nH]n2)nn1-c1ccccc1C(F)(F)F 23141842 ITYMAGQXUQAWSI-UHFFFAOYSA-N 364.287 1.930 0 40 FDAB CCc1nn(C)c(OC)c1CNC(=O)c1cnn(C2CCOCC2)c1C 93024182 IIPINURSGLXGTP-UHFFFAOYSA-N 361.446 1.778 0 40 FDAB CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 922296 WYDZDLKETFSTMC-UHFFFAOYSA-N 368.484 1.615 0 40 FDAB C[C@H](CCOC(=O)NC(=O)C(F)(F)F)OC(=O)NC(=O)C(F)(F)F 1805313 WZSRNQSFSPHCQJ-SCSAIBSYSA-N 368.186 1.395 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1 971022 DEULLENONSRWHB-UHFFFAOYSA-N 360.366 1.716 0 40 FDAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(N)=O)cc1 6609845 KFKVGLFXQKTCNY-SNVBAGLBSA-N 356.334 1.698 0 40 FDAB CCN(C(=O)COc1ccc(C(C)=O)cc1OC)[C@@H]1CCS(=O)(=O)C1 7200949 ZTTNKPXARSJPIZ-CQSZACIVSA-N 369.439 1.312 0 40 FDAB CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 7758985 ZZLHDQGEGGTIGJ-UHFFFAOYSA-N 360.863 1.891 0 40 FDAB CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8297538 DUGBEHGBABJYFN-UNEWFSDZSA-N 355.442 1.449 0 40 FDAB biogenic,in-vitro COc1ccc(-n2nc(C(=O)NCCO)nc2-c2cccc(C)c2)cc1 8476340 HILGDBXRUOUMPG-UHFFFAOYSA-N 352.394 1.973 0 40 FDAB CCOC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 25857032 XHHGCNHBUMVYGG-UHFFFAOYSA-N 368.411 1.332 0 40 FDAB Cc1csc(N2CCN(C(=O)CCC(=O)Nc3nccs3)CC2)n1 57110385 IXYOSLAXWGNQOD-UHFFFAOYSA-N 365.484 1.976 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 57364763 HONHPCPQLDUPRL-CQSZACIVSA-N 360.483 1.979 0 40 FDAB Cc1cc(C(=O)NCC(=O)Nc2cn[nH]c2)c2nc3n(c2n1)CCCCC3 57994998 XVGUOSTXSZUWMW-UHFFFAOYSA-N 367.413 1.558 0 40 FDAB Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1 9603078 JCJAGQOXBAUCBO-GFCCVEGCSA-N 366.418 1.929 0 40 FDAB Cn1cnnc1CNC(=O)c1cc(Br)c2c(c1)OCCO2 58180944 PHWRRLWFDZACKP-UHFFFAOYSA-N 353.176 1.279 0 40 FDAB CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N(C)C)nc1 58172259 RMCLSQDJFFPLHI-UHFFFAOYSA-N 369.469 1.996 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 3331070 GSIKUSHEUHHSKZ-UHFFFAOYSA-N 371.418 1.148 0 40 FDAB Cc1nc(COc2ccccc2C(=O)NCCc2nnc3n2CCC3)no1 58313661 QXQKXZNVWJGJBZ-UHFFFAOYSA-N 368.397 1.467 0 40 FDAB O=C(COn1nnc2ccc(Cl)cc21)NC(=O)NC1CCCCC1 3314845 FRGWITVNKMSEBG-UHFFFAOYSA-N 351.794 1.672 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCN1CCCC1=O 100143684 GQTVVUWYMSKYCN-UKRRQHHQSA-N 353.426 1.638 0 40 FDAB CC(C)N1CCN(C)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn12 107281534 VBSOLCNCRTYLFA-INIZCTEOSA-N 356.474 1.662 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cc(C)on2)c1 57279534 QKYLDIUSZDWIQU-UHFFFAOYSA-N 364.387 1.466 0 40 FDAB COCCNC(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 10837629 MOXJWARXORQWRP-UHFFFAOYSA-N 356.444 1.961 0 40 FDAB CCn1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737835 JHWRUHGWUNZKQZ-IRXDYDNUSA-N 357.458 1.326 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4303875 CQBHVOGMCDOXRI-UHFFFAOYSA-N 351.366 1.036 0 40 FDAB CS[C@@]1(CO)C(=O)N(C)[C@](Cc2ccccc2)(SC)C(=O)N1C 5966040 WXIJHVRXTHDGKV-CVEARBPZSA-N 354.497 1.270 0 40 FDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)CCC(=O)Nc2nc3ccccc3s2)CC1 7705663 SSPBRRVNWMRAHT-UHFFFAOYSA-N 360.439 1.706 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 28262905 DSKRTGOUNZKQBX-ZDUSSCGKSA-N 354.428 1.236 0 40 FDAB Cc1n[nH]c2ncc(NC(=O)C(=O)NCCCCNc3ccccn3)cc12 95461391 QAUBIUYZBMGDJU-UHFFFAOYSA-N 367.413 1.608 0 40 FDAB C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccccn1 69926122 NDFHRDLYNAFNTC-JTQLQIEISA-N 370.394 1.268 0 40 FDAB CNc1nc2c(s1)[C@@H](c1ccc(OCC(N)=O)c(OC)c1)CC(=O)N2 61719724 PPPJNXRFEHITOS-SECBINFHSA-N 362.411 1.532 0 40 FDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(C)nn(C)c2n1 27157527 PMANIASHCWORBV-UHFFFAOYSA-N 367.409 1.776 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCC(=O)c1ccc(F)cc1 62178153 XRVWNTUNLOFQKV-UHFFFAOYSA-N 354.337 1.811 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)cc1 70637052 NEFMLWPOHGYDBT-UHFFFAOYSA-N 362.411 1.694 0 40 FDAB Cc1ccc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C3CC3)C2)o1 306144754 ZNQPUOXLKCFIOJ-CQSZACIVSA-N 364.471 1.498 0 40 FDAB COC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 33853399 QBLGRWTYFRDGFV-YEWWUXTCSA-N 362.382 1.361 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)c1C 36611030 ZUWQXQUSKVYBMC-IRXDYDNUSA-N 362.474 1.747 0 40 FDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 44892791 MOPUBSBXKAJCMI-UHFFFAOYSA-N 366.381 1.141 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)s1 224281076 BRJNOHZKJWBWPI-VIFPVBQESA-N 370.456 1.935 0 40 FDAB O=C1CC[C@@H](C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)N1 85555692 MYUGZAALFYOPGP-INIZCTEOSA-N 366.425 1.020 0 40 FDAB Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nc2nc(O)nc(O)c12 534364192 YOQXFWOARARRCQ-ZLKJLUDKSA-N 370.409 1.822 0 40 FDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)Cc2ccc4c(c2)OCO4)C3)n1 96110063 LZTYIWZWZCFGIU-FZKQIMNGSA-N 357.366 1.076 0 40 FDAB COc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cc1 96061018 DXBNMQSRZOIVDQ-INIZCTEOSA-N 354.414 1.376 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 96056965 MJQQMYQUMRYTLZ-YJBOKZPZSA-N 350.415 1.396 0 40 FDAB CC(C)c1cc(C(=O)NCCCn2ccnc2)nc(N2CCOCC2)n1 96100979 RQCSWCRSDHMTKQ-UHFFFAOYSA-N 358.446 1.453 0 40 FDAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1ccccn1 247808110 CNYKBEQADTXTFD-GOSISDBHSA-N 355.442 1.520 0 40 FDAB CCOc1ccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)cc1 585655767 FYTPACJCXOFEGW-CQSZACIVSA-N 370.409 1.892 0 40 FDAB CCn1nccc1-c1cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)ccn1 257260360 LCNUTODNIUHEEF-HNNXBMFYSA-N 363.487 1.951 0 40 FDAB CCn1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c(C)n1 257302576 SDLOLBHQGBHXDB-MRXNPFEDSA-N 356.417 1.520 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 250351660 JXVHXGYUUXFQNQ-XEZPLFJOSA-N 369.462 1.743 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)N3CCO[C@@H](C)[C@H]3C(F)(F)F)n2)cc1 622985079 JVXUKBJTIZCITB-FZMZJTMJSA-N 369.347 1.827 0 40 FDAB Cc1c(CNC(=O)C[C@H]2CS(=O)(=O)CCN2C)oc2ccccc12 644351739 KJDAXNUMILPJND-ZDUSSCGKSA-N 350.440 1.476 0 40 FDAB Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cccc(F)c2)cn1 1154889231 LNWKCWLHWSJWPH-OAHLLOKOSA-N 351.403 1.561 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1C[C@H](CO)c2ccccc21 647152238 OLNCISYXXDQJIA-MRXNPFEDSA-N 352.438 1.326 0 40 FDAB O=S1(=O)C[C@H](O)[C@@H](N(CCO)C(c2ccccc2)c2ccccc2)C1 575419595 WUENSFWFGUZHKF-ROUUACIJSA-N 361.463 1.228 0 40 FDAB CSCC(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585097990 QCNAQJIGZTZPDU-ZDUSSCGKSA-N 373.482 1.403 0 40 FDAB Cn1cnc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615130598 PLSCRUQEUOXVIR-LJQANCHMSA-N 358.417 1.957 0 40 FDAB O=C1N[C@@]2(CCCN(C(=O)c3n[nH]c4c3CCC4)C2)Oc2ccccc21 12087597 DMIQLVACNZPEOB-IBGZPJMESA-N 352.394 1.653 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 12089256 OJHZOFNCBDMLNE-LJQANCHMSA-N 353.426 1.756 0 40 FDAB CC(C)c1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)n(C)n1 12220350 QWMVDDPDNZWIAX-UHFFFAOYSA-N 370.457 1.369 0 40 FDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 13636645 FVLCXWNXYDVNGH-QGZVFWFLSA-N 358.438 1.632 0 40 FDAB COc1cc(C(=O)O[C@@H](C)CN2CCN(C)CC2)cc(OC)c1OC 19456163 QNLONBBBXLDKDU-ZDUSSCGKSA-N 352.431 1.505 0 40 FDAB CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19460473 LMSTUVOHDMVGER-OCCSQVGLSA-N 358.442 1.170 0 40 FDAB CCOc1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1 19519891 PQEAEEQEZXQQJD-UHFFFAOYSA-N 359.426 1.379 0 40 FDAB C[C@@H](NC(=O)CC1CCN(C(=O)Cn2cncn2)CC1)c1ccccc1 19748616 SGADYYGEROVIIY-OAHLLOKOSA-N 355.442 1.784 0 40 FDAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)C1CCOCC1 514605007 LEIWCQUJBZLFSO-CYBMUJFWSA-N 372.215 1.824 0 40 FDAB CO[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H]1c1cnn[nH]1 623031686 QQVMJZNCXCOFQR-DOTOQJQBSA-N 356.426 1.494 0 40 FDAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)nn1 1888857217 LBKRQGNOCIZDDD-LLVKDONJSA-N 353.366 1.768 0 40 FDAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1 1888888117 OUFCRPGJNZMCJA-OKILXGFUSA-N 350.426 1.515 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCc2ccccc21 4940592 NCFILYNYIMIMBJ-UHFFFAOYSA-N 356.403 1.811 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1 206829359 SYNQJUVBRMMPLY-CYBMUJFWSA-N 351.403 1.787 0 40 FDAB O=c1ccc(S(=O)(=O)N2CCOCC2)cn1Cc1cccc(Cl)c1 49410394 AYEZHIQRAIOROS-UHFFFAOYSA-N 368.842 1.571 0 40 FDAB O=C(NCc1ccnc(N2CCCC2=O)c1)NCc1ccc2c(c1)OCO2 575621181 YXPXQWVZYRPFLF-UHFFFAOYSA-N 368.393 1.937 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cncc(OC)n2)C1 220090569 DLSHYPMMKOMZEX-GFCCVEGCSA-N 357.366 1.565 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)Oc1ccc(OC)cc1 40094806 UMDICEAWZUVWEU-CYBMUJFWSA-N 358.460 1.250 0 40 FDAB CCN1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)N2)CC1 20059524 ZOFBMMQHJKOKTQ-AWEZNQCLSA-N 363.849 1.161 0 40 FDAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(O)nn3)CC2)cc1F 40113998 SPCLFZQVDIWGOR-UHFFFAOYSA-N 372.400 1.798 0 40 FDAB COc1ccc2cnn(CC(=O)NCc3ccccn3)c(=O)c2c1OC 40285766 TWSWWLPZQNNHNE-UHFFFAOYSA-N 354.366 1.125 0 40 FDAB COc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cc1OC 32094567 CUDQHHDNBHRXKK-UHFFFAOYSA-N 368.393 1.515 0 40 FDAB COc1cc(CN2CC[C@H](NC(=O)c3ccc[n+]([O-])c3)C2)cc(OC)c1 87503025 XRPCXVKMECOREC-INIZCTEOSA-N 357.410 1.342 0 40 FDAB CC(C)N1C[C@H](C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CC1=O 79107042 UMAVHUAFWKDTSG-GUDVDZBRSA-N 371.481 1.355 0 40 FDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(N2CCOCC2)ccn1 24061570 SYXRODZHMZRVHS-SFHVURJKSA-N 366.465 1.923 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 7987699 CFBNKEASMKHVMV-UHFFFAOYSA-N 362.407 1.281 0 40 FDAB CCCn1nc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)ccc1=O 25515902 ZJLFEXIGLSYRQD-UHFFFAOYSA-N 368.390 1.416 0 40 FDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 12647579 MVKNDPOWAGUZBQ-UHFFFAOYSA-N 359.407 1.965 0 40 FDAB O=C(NCCC(=O)N1CCCN(CC2CCCCC2)CC1)c1cnccn1 48290543 LSZWWVNZALEDRB-UHFFFAOYSA-N 373.501 1.711 0 40 FDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(N2CCOCC2)nc1 35805593 FNJGGNIOJUGRDF-UHFFFAOYSA-N 369.421 1.962 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CC3)CC2)c1 9961937 KVHXFRVDPCUOIO-UHFFFAOYSA-N 365.499 1.730 0 40 FDAB COCc1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 44890105 ZSCPBTSESXCNLQ-UHFFFAOYSA-N 351.436 1.650 0 40 FDAB O=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1)C1CC1 12785611 JQVCHYYEVCFDEX-UHFFFAOYSA-N 351.410 1.788 0 40 FDAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1 11904466 BUJYFBLDIOBWJX-UHFFFAOYSA-N 366.420 1.554 0 40 FDAB CNC(=O)Cc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 29937160 GULJKAMZEBCBKH-UHFFFAOYSA-N 368.437 1.728 0 40 FDAB Nc1nccnc1C(=O)OCC(=O)Nc1ccccc1Br 3526154 OQLAMNKNWQIXOI-UHFFFAOYSA-N 351.160 1.617 0 40 FDAB CC(C)CC(=O)N1CCN(C(=O)CCCNC(=O)c2cccs2)CC1 12971424 PUKJWKYGWIJZIQ-UHFFFAOYSA-N 365.499 1.975 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 12941589 BYTNQDJAKUFNBD-GFCCVEGCSA-N 374.470 1.860 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc2ccccc2n1 9220487 FHFSQRJTSZKZCO-UHFFFAOYSA-N 368.418 1.781 0 40 FDAB Cc1nc(COc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)no1 14117071 KGJGXRKBPYGQFL-CYBMUJFWSA-N 365.411 1.216 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 14167343 IBDUCUYKEBYFKB-SFHVURJKSA-N 374.485 1.010 0 40 FDAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)c1 14161429 ITNKCJRXILKTDP-LLVKDONJSA-N 361.398 1.959 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 14241626 XHPDOJBKJUTCND-OAHLLOKOSA-N 367.515 1.605 0 40 FDAB COc1cc(F)c(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)cc1OC 95443813 YRRRIEZGETUBMK-UHFFFAOYSA-N 360.407 1.262 0 40 FDAB CCN(CCO)C(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6760541 GZHHYRQLWDLCOD-UHFFFAOYSA-N 370.427 1.077 0 40 FDAB O=C1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2N1 4931805 PAUWOUMBKJXDPQ-UHFFFAOYSA-N 353.165 1.535 0 40 FDAB Cc1cc(C)n(CC(=O)NC(C)C)c(=O)c1S(=O)(=O)c1ccccc1 67255234 AJNIXVQEHVJEKT-UHFFFAOYSA-N 362.451 1.823 0 40 FDAB O=C(COC(=O)CCN1C(=O)COc2ccccc21)NCC(F)(F)F 7223680 HWPALFRSYXGELA-UHFFFAOYSA-N 360.288 1.024 0 40 FDAB O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2c(c1)OCCCO2 7230218 DNQRPLRBYDWRAE-UHFFFAOYSA-N 373.394 1.829 0 40 FDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1nnc2ccccn12 7898684 ONIIEHQVJBIPDO-ZDUSSCGKSA-N 353.407 1.849 0 40 FDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(N(C)C)cc3)C(=O)[C@H]12 409294096 NNBHAAXXLJKPPI-OAFZBRQQSA-N 356.378 1.129 0 40 FDAB Cc1nn(CC(=O)NC[C@H]2COc3ccccc3O2)c(=O)c2ccccc12 21302719 RSMQFJDQQGWPNY-AWEZNQCLSA-N 365.389 1.661 0 40 FDAB COCc1nc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cs1 60106828 LGHBQNBEVLSLTG-UHFFFAOYSA-N 364.379 1.491 0 40 FDAB CCn1nc(C(C)C)cc1C(=O)N(C1CCC(O)CC1)S(C)(=O)=O 95963244 ZWDLLOQNRPOQEQ-UHFFFAOYSA-N 357.476 1.732 0 40 FDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 88787116 IAWPSTGSPSAQOE-GFCCVEGCSA-N 362.415 1.499 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCO[C@H]1C1CC1 89793769 NGHVZXVVMVRXNT-HOCLYGCPSA-N 372.874 1.692 0 40 FDAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OC 409374872 AUKRIYOJMXLDPL-VIFPVBQESA-N 353.176 1.642 0 40 FDAB Cn1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cn1 306131175 JYDXJXPJOWPDDC-ZDUSSCGKSA-N 371.470 1.135 0 40 FDAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)c1 408709809 XFJURTAOSRJTFL-CQSZACIVSA-N 369.421 1.361 0 40 FDAB CC(=O)N1CCN(Cc2cc(-c3ccccc3)cn3c(=O)n(C)nc23)CC1 72343211 RCCWSBTWKPGVNV-UHFFFAOYSA-N 365.437 1.364 0 40 FDAB O=C([C@@H]1CC=CCC1)N1C[C@H]2Cc3cnc(N4CCOCC4)nc3[C@H]2C1 72342361 JJNCEXPSUVXRHE-OIISXLGYSA-N 354.454 1.768 0 40 FDAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccc(OC)cc1 72324151 AJMVSQUPSZYSOT-OAHLLOKOSA-N 366.421 1.938 0 40 FDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(-n3ccnn3)cc1)CC2 89832307 PUSLKPRZQXDDCT-SJORKVTESA-N 356.426 1.659 0 40 FDAB COc1ccc(NC(=O)c2cn(-c3cc(N(C)C)ncn3)cn2)cc1OC 49411334 JXXCOOUDOGLEOA-UHFFFAOYSA-N 368.397 1.998 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 225416310 CYPWEQIJGLJWRA-UHFFFAOYSA-N 372.406 1.575 0 40 FDAB CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc(C)o2)CC1 331662957 QMEXVADYTYUKIF-UHFFFAOYSA-N 357.476 1.153 0 40 FDAB Cc1nnc(N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)s1 96217964 XTZXRAPFGYRDDP-CJNGLKHVSA-N 352.460 1.223 0 40 FDAB COc1cccc(CC(=O)N2C[C@H]3CCC[C@H](OCC(=O)N(C)C)[C@H]3C2)c1 96054605 IWEIRBSCDQUYJS-NEWSRXKRSA-N 374.481 1.970 0 40 FDAB O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1cscn1 96108491 GIAWSNZUMMNGIM-ABAIWWIYSA-N 350.469 1.478 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(Cc4ccco4)C[C@H]3O2)cn1 96043039 LIDMJOZYYGDEOC-JCGIZDLHSA-N 356.426 1.674 0 40 FDAB O=C(c1ccnnc1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159683 UZEMLOIRJBFCAQ-IBGZPJMESA-N 354.385 1.881 0 40 FDAB Cn1nc(CNC(=O)C2(c3ccccc3)CCOCC2)c2c1CCOC2 96104007 WESOLGIRRBPOHY-UHFFFAOYSA-N 355.438 1.857 0 40 FDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247814114 ACPWIGYAPDYPMR-YNRUKEMPSA-N 374.437 1.713 0 40 FDAB CC(C)c1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)on1 257284686 PDUKKWJQKWLKQJ-GOSISDBHSA-N 359.430 1.692 0 40 FDAB O=C(c1cc(-c2ccccc2)on1)N1CCC(N2C(=O)COC2=O)CC1 253402546 OKRWQXWDJOCQRJ-UHFFFAOYSA-N 355.350 1.925 0 40 FDAB Cc1cnc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257260711 LEAFTSVNEPCDGX-SFHVURJKSA-N 359.405 1.423 0 40 FDAB CC1(C)COC(=O)N1c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257273743 NIAROKDYDPDDAE-LBPRGKRZSA-N 353.444 1.956 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)c2ccccc12 262390286 IIWXLOSQKXBXOJ-SNVBAGLBSA-N 350.396 1.892 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 647928722 TYDHLZAVAHALTR-ZDUSSCGKSA-N 367.345 1.960 0 40 FDAB C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)C1CCC(F)(F)CC1 655340695 IGIBMBKSDTVVLN-VIFPVBQESA-N 351.357 1.772 0 40 FDAB COC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)c1cccc(OC)c1 657108814 MQVXTMHVOYXGBI-ZDUSSCGKSA-N 371.846 1.992 0 40 FDAB COC1(C)CN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)C1 679114359 NFSHYFPJNMOCMI-UHFFFAOYSA-N 362.455 1.690 0 40 FDAB CCn1ccc(CN(C)[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 683030363 VUCWPGPHZGVXER-MRXNPFEDSA-N 356.474 1.467 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)NCCc2cnccn2)N1Cc1ccccc1 688898184 DVPOJJDMHHQMTA-IAGOWNOFSA-N 354.410 1.253 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 1263730763 JTHWJXZGAUQHGS-NSHDSACASA-N 371.315 1.410 0 40 FDAB C[C@H]1CNC(=O)[C@@]2(CC=CCOc3ccccc3C(=O)N1)CCCNC2 1772770342 JUFKLRPKBOSRQU-YWZLYKJASA-N 357.454 1.630 0 40 FDAB CN(C)S(=O)(=O)c1ccc(N2CC(=O)N(C3CCCC3)C2=O)c(O)c1 96193734 JGTWQWXUXXVYAP-UHFFFAOYSA-N 367.427 1.354 0 40 FDAB Cn1nccc1/C=C/C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287936 IRHYYONHPZODRU-CXWTVFLASA-N 353.422 1.579 0 40 FDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1cccc(F)c1F 585286013 GRVVNNZFOIPSPD-YJBOKZPZSA-N 357.397 1.446 0 40 FDAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@H]1C 585097983 QCJYTQSUHXUNQC-CQSZACIVSA-N 372.425 1.403 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](COc2ncccn2)C1 1775995020 LBDKQTQEQOCZDT-ZDUSSCGKSA-N 352.416 1.561 0 40 FDAB Cc1ccc(NC(=O)c2cccc3nn[nH]c23)cc1C(=O)N1CCOCC1 683882067 IXKKLEIPURGPAR-UHFFFAOYSA-N 365.393 1.991 0 40 FDAB CNC(=O)c1cc2c(nc1N)CCN(C(=O)Cc1ccc(OC)c(C)c1)C2 19701166 ICQDMQZOKVQOFI-UHFFFAOYSA-N 368.437 1.468 0 40 FDAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 1012864 OLOYJWGZHYRLTP-XYOKQWHBSA-N 352.437 1.952 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@H]4CCCN4C[C@H]3CCO)CC2)cc1 1615193262 UPJSHEMBPBMYMQ-NHCUHLMSSA-N 373.541 1.857 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C)C2)C(C)C)cc1 11454952 MKSZNKSILWANDG-HOCLYGCPSA-N 354.472 1.545 0 40 FDAB Cn1ccc2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)ccc21 12117134 IEJBFTUVLQUKED-UHFFFAOYSA-N 370.390 1.509 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2ccccc2)n1 12186266 HNFNWYAUHNKJKA-UHFFFAOYSA-N 351.410 1.577 0 40 FDAB Nc1nc(N)c2c(n1)NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 13569880 WRAUBVMZZKXHBV-MRVPVSSYSA-N 366.303 1.724 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cn1nc(C)nc1C 19130433 LJVHRUMXMOACCM-HIFRSBDPSA-N 351.414 1.534 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CN(C)C)CC2=O)cc1 19581882 VZWNWAXXSRBOIA-NVXWUHKLSA-N 359.470 1.991 0 40 FDAB COc1cccc(CCCNC(=O)[C@H]2CN(c3ncccn3)CCO2)c1 19747323 INXNVWTZUHDKJL-QGZVFWFLSA-N 356.426 1.439 0 40 FDAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)O 8471072 GTURPOSIMKMRJF-VZUCSPMQSA-N 367.335 1.280 0 40 FDAB CCCCn1c(C)c(C)n2c3c(=O)n(CCOCC)c(=O)n(C)c3nc12 4314402 MRKUTDPVPMKAJX-UHFFFAOYSA-N 361.446 1.603 0 40 FDAB O=C(CCCn1cncn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643551081 ICEPQPGJTXVQFS-ZHALLVOQSA-N 356.426 1.204 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)s1 12750273 MMGHOPZPYKIKBL-UHFFFAOYSA-N 373.482 1.514 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)N(C)Cc2ccccc2)nc1N 5969489 PSKUPKPQZXOZDW-UHFFFAOYSA-N 360.439 1.986 0 40 FDAB O=C1[C@@H]2CN(Cc3nnc(C(F)(F)F)o3)C[C@@H]2C(=O)N1c1ccccc1 1888853014 PXQNUBNPZBXAJH-PHIMTYICSA-N 366.299 1.710 0 40 FDAB Cc1cc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)no1 1888869404 IISXUIJQHCMSPG-IRXDYDNUSA-N 361.467 1.877 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc1 1889146257 SLMBKHUDKDGINO-UHFFFAOYSA-N 367.356 1.840 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 23743170 ADPQGJJJXVVXJD-INIZCTEOSA-N 363.414 1.690 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)C[C@H](O)C(C)(C)N(C(C)=O)C3)CC1 2037849969 YEUITVRMCNKBAW-SFHVURJKSA-N 365.518 1.471 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1cccc(Cl)c1)CCO2 2037985501 LVVYGHGFDJIKAF-SFHVURJKSA-N 366.845 1.818 0 40 FDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)c3csnn3)C[C@@H]2C1 1146816094 OEYFTZWWZKBCJQ-DZGCQCFKSA-N 358.423 1.151 0 40 FDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cccc(=O)n4C)C[C@H]3C2)cs1 1565542672 UCRBVZPSCCHJSZ-ZIAGYGMSSA-N 358.467 1.354 0 40 FDAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1C(=O)C1(F)CC1 1565546300 YCLHUVINMGGPCS-ZDUSSCGKSA-N 364.421 1.427 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1 807134 CHWZSOWBUZHUHW-UHFFFAOYSA-N 351.410 1.903 0 40 FDAB O=C(N[C@@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccccc1 820556 HBDRDXKAFYDRNT-NSHDSACASA-N 362.600 1.835 0 40 FDAB CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4119763 BLBGAQCVANDBRU-UHFFFAOYSA-N 353.469 1.646 0 40 FDAB CC(C)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071657 GQFVHEHSSBEENO-UHFFFAOYSA-N 357.389 1.553 0 40 FDAB Cc1ccc(C)c(Cn2cnc3c(cnn3[C@@H]3CCS(=O)(=O)C3)c2=O)c1 16849814 DVDQNDCCBCLIAF-OAHLLOKOSA-N 372.450 1.618 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccnc(F)c2)CC1 2055746475 LCWITVULJXCTCW-UHFFFAOYSA-N 374.420 1.129 0 40 FDAB CC(C)c1nc(S(=O)(=O)NC[C@H](c2ccco2)n2cccn2)cn1C 575613686 KDYVVSGBDZYRSX-CYBMUJFWSA-N 363.443 1.901 0 40 FDAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc(C2CC2)ccc1=O 575620353 PYHOPZHPRKHYBL-CYBMUJFWSA-N 370.409 1.259 0 40 FDAB O=C(CN1Cc2ccccc2C1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19375539 HUAZASMIMIGCDI-HNNXBMFYSA-N 363.465 1.454 0 40 FDAB COc1ccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 19554316 GQMKEEIVZDTCFY-HNNXBMFYSA-N 352.438 1.690 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N[C@H](Cc1ccccc1)C(=O)O 8517539 SSSABMODNNUTPX-MRXNPFEDSA-N 351.362 1.209 0 40 FDAB biogenic Cn1cc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1C(N)=O 40072764 UGUUKCAXZQIXEW-UHFFFAOYSA-N 359.411 1.170 0 40 FDAB COC(=O)[C@@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)CC1 20665273 CMAJIRGSIIOOPH-MRXNPFEDSA-N 365.499 1.809 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(OC)cc1 41157906 WXKSMXFYAIIOSN-QGZVFWFLSA-N 370.405 1.326 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 21702731 ZUCFGAKHKBKGJT-AUUYWEPGSA-N 372.377 1.689 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 21898102 XFNQGHIZRALBRT-UHFFFAOYSA-N 354.457 1.748 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CC1 53391763 KTAOGBOWIIEDBN-HNNXBMFYSA-N 373.563 1.675 0 40 FDAB C[C@H](OC(=O)NC(=O)C(F)(F)F)[C@@H](C)OC(=O)NC(=O)C(F)(F)F 12414144 OAEIELZEEGOMSL-ZXZARUISSA-N 368.186 1.394 0 40 FDAB CCn1c(CCC(N)=O)nnc1SCc1nc(N)c2ccccc2n1 12534319 QYODYAZBYJIJLX-UHFFFAOYSA-N 357.443 1.534 0 40 FDAB Cc1cc(C(=O)Nc2nc(SCCO)n[nH]2)c2cnn(C(C)C)c2n1 79111487 NFYUCRJTDDMESD-UHFFFAOYSA-N 361.431 1.775 0 40 FDAB Cc1nnc(SCn2nnc3c(cnn3-c3ccccc3)c2=O)s1 79101653 SYXCONXSXKAFIM-UHFFFAOYSA-N 357.424 1.887 0 40 FDAB O=C(c1cccc(-n2cccc2)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12554591 PCWZMRQIQBXTEV-GOSISDBHSA-N 373.478 1.422 0 40 FDAB COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)c1 6104751 KKPKXZQLLSFETP-UHFFFAOYSA-N 373.390 1.238 0 40 FDAB OCCN(CCN1CCOCC1)Cc1nc(-c2cccc(Cl)c2)no1 75094046 BSZCVXAJTYNGSU-UHFFFAOYSA-N 366.849 1.517 0 40 FDAB CCC[C@@H]1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)CCN1CCOC 95452153 OOPGKZZKYVLYTB-MRXNPFEDSA-N 374.485 1.299 0 40 FDAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57481869 LSLLKAIHEZOGED-NSHDSACASA-N 354.325 1.792 0 40 FDAB CN1CCN(C)[C@@H](Cc2nc(Cc3cccc(Cl)c3)nn2CCO)C1 108411454 CNVWSLFCPLVAQA-INIZCTEOSA-N 363.893 1.303 0 40 FDAB CCOC(=O)c1ccc(N2CCC[C@@H](C(=O)Nc3nncs3)C2)nc1 48252256 NVGNLGRNLXZXGO-GFCCVEGCSA-N 361.427 1.965 0 40 FDAB CCn1c(C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)cc2ccccc21 95441894 WNPHHSKFKMRQJE-HNNXBMFYSA-N 353.426 1.469 0 40 FDAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3ccccc3[nH]2)cc1 12752540 SVEMAPFNFNLZIY-UHFFFAOYSA-N 374.422 1.879 0 40 FDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)NCCCn2cccn2)nn1 75164072 GYEVMPOIKROGAT-INIZCTEOSA-N 370.413 1.037 0 40 FDAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 10662939 AKYMSPZYWRRWTF-UHFFFAOYSA-N 363.439 1.747 0 40 FDAB Cn1ncc2c(SCC(=O)NC[C@@H]3COc4ccccc4O3)ncnc21 36397058 LKNJYPYPOGUYSM-LLVKDONJSA-N 371.422 1.412 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100123894 SHEDVXCOPDOLID-KBMWQNTOSA-N 368.433 1.737 0 40 FDAB CSCC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2[nH]1 38140721 VIHIBHMLHUIUBR-ZDUSSCGKSA-N 357.439 1.881 0 40 FDAB CC(C)c1nc([C@H]2COCCN2S(=O)(=O)N2CCCCCC2)no1 96000565 IAZCCTPUZWTNSO-CYBMUJFWSA-N 358.464 1.687 0 40 FDAB Cc1cccn(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O 71516778 FESYPWKOJBFFGT-UHFFFAOYSA-N 352.394 1.593 0 40 FDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1cccc(Cl)c1 14020172 RHABLBMAJBSEJK-UHFFFAOYSA-N 372.606 1.269 0 40 FDAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1CCCO1 6601484 OGQMNBQVTUEWBS-INIZCTEOSA-N 366.483 1.699 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cn3ccccc3n1)C2=O 9318249 RHNGZYLCNURRMH-ORAYPTAESA-N 369.425 1.451 0 40 FDAB CC(C)(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 67142089 GUDUKEPMILOURY-UHFFFAOYSA-N 373.497 1.357 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2c(F)cccc2F)c2ccccc2O1 7252971 RLUDOAJFNVLIAP-HNNXBMFYSA-N 361.348 1.917 0 40 FDAB CC(C)CN(C(=O)C1CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7687819 NJLOPJOTEBGLKM-UHFFFAOYSA-N 370.453 1.956 0 40 FDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCO2 89788208 DQXODADYDNZOKY-UHFFFAOYSA-N 355.394 1.882 0 40 FDAB COc1ccc(C2(C(=O)NCCN3CCOCC3)CCCC2)cc1OC 26504917 ZCLLHQLBSYPPTP-UHFFFAOYSA-N 362.470 1.964 0 40 FDAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1=O 18209441 HFNKGRNPSHGJEK-ZBFHGGJFSA-N 368.320 1.905 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(Cc1cnn(C)c1)C2 306129376 IBPKRYKGKNNNGL-KRWDZBQOSA-N 355.486 1.928 0 40 FDAB CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-n2cn[nH]c2=O)c1 95942910 MVEIYLVOFJWVCO-HNNXBMFYSA-N 357.414 1.536 0 40 FDAB CCN(C(=O)CSCc1nc(N)nc(N(C)C)n1)C1CCCCC1 8877619 QTOBBORCBPQQDU-UHFFFAOYSA-N 352.508 1.934 0 40 FDAB CONC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(OC)c(OC)c1 8939536 QVQSDQLDLZUEML-UHFFFAOYSA-N 370.361 1.791 0 40 FDAB COc1ccc(-c2nnc(S(=O)(=O)C[C@@H]3CCCCO3)n2C)cc1 97101369 VZJJOUUZBSKZNS-AWEZNQCLSA-N 351.428 1.834 0 40 FDAB COCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)no1 72302695 OVDKNQCIBRLQMD-QGZVFWFLSA-N 363.389 1.763 0 40 FDAB CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)C1CCCCC1 216461511 ZMLFJRHWXSUSAM-UHFFFAOYSA-N 368.455 1.972 0 40 FDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1 408974848 HLEUMCZWWMVNMQ-RAKLQZGLSA-N 357.362 1.059 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306141668 WDHLPGIRJJOCMU-ZIAGYGMSSA-N 357.483 1.926 0 40 FDAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 217724304 IRESIRGRFDSLQW-UHFFFAOYSA-N 364.379 1.358 0 40 FDAB COc1ccc(CCNC(=O)CN(CC(=O)O)c2ccccc2)cc1OC 34926494 CNCACBQLXXNQJA-UHFFFAOYSA-N 372.421 1.954 0 40 FDAB O=C1COc2ccc(C(=O)C3CCN(CC(=O)N4CCCC4)CC3)cc2N1 72339657 DORVYWLQGQYDCA-UHFFFAOYSA-N 371.437 1.535 0 40 FDAB COc1ccccc1NC(=O)[C@@H]1CN(C(=O)CN(C)C)Cc2cn(C)nc21 72345616 UYTKNOBNZGFMFU-CQSZACIVSA-N 371.441 1.055 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 72399047 SIJSLGXTJIJFJE-CQSZACIVSA-N 370.453 1.181 0 40 FDAB CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 72241383 WPHZBSIESYSJEF-BPUTZDHNSA-N 352.818 1.534 0 40 FDAB CN(C)C(=O)CC1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 527383597 OHYBGPOTMNXAKD-UHFFFAOYSA-N 360.458 1.249 0 40 FDAB CCOC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)CCCC4=O)CC1 40372925 FXOQFWCAEQSYJL-UHFFFAOYSA-N 370.409 1.617 0 40 FDAB COc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1OC 224168402 GTHCOJBNWJXIKJ-UHFFFAOYSA-N 358.398 1.260 0 40 FDAB CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 44902217 ZMLIMTYSZQWPPY-GFCCVEGCSA-N 357.501 1.865 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(c2ccc(Br)cc2)CC1 41907655 GGXDIPVUKCROLM-LBPRGKRZSA-N 358.257 1.784 0 40 FDAB Cc1ccnc(OC[C@@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1 96217460 OKMVQGDJDJCCKH-OAHLLOKOSA-N 353.426 1.985 0 40 FDAB O=C(CN1Cc2ccccc2C1=O)N1CCN(CCc2ccncc2)CC1 96232200 VTLMGTWCIRODTQ-UHFFFAOYSA-N 364.449 1.424 0 40 FDAB O=C(CO)N1CCC2(CC1)OCCN(c1ncccn1)c1ccccc12 96243971 HJTZPUOBKAYICR-UHFFFAOYSA-N 354.410 1.455 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226418 AIYXTIWHEJMGJJ-MRXNPFEDSA-N 355.435 1.384 0 40 FDAB Cc1cc(N2CCC[C@H](NC(=O)Cc3nn(C)c4ccccc34)C2)n(C)n1 581423005 UDHGRODRXCVIJS-HNNXBMFYSA-N 366.469 1.943 0 40 FDAB CN1CC2(CN(CCOCc3ccccc3)C2)OC[C@@H]1C(=O)N1CCCC1 248027551 MZSUAPCNQVGOGU-LJQANCHMSA-N 373.497 1.211 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(c2cc(N(C)C)ncn2)C3)n1 248113464 KUHQJQRDGFFKHW-AWEZNQCLSA-N 356.430 1.458 0 40 FDAB CN(C)S(=O)(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 247978638 WWYCSRLLPVQFAM-CQSZACIVSA-N 355.460 1.138 0 40 FDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 247473941 GNULZXXVZNSVQK-APWZRJJASA-N 361.417 1.842 0 40 FDAB CCOc1ccc([C@H](C)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 245224774 DISFUJJIKWSRFI-ZFWWWQNUSA-N 354.472 1.381 0 40 FDAB Cc1cc(N2CCC(O)(CN(C)C(=O)CCCN)CC2)c2cnccc2n1 257266155 MBUUALKPHJUYIZ-UHFFFAOYSA-N 371.485 1.467 0 40 FDAB CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257218462 DDFQDIHNDYUQCN-MBOZVWFJSA-N 372.469 1.178 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 260903892 QXRVUKHCFYXKJI-KGLIPLIRSA-N 368.455 1.004 0 40 FDAB Cn1c(CNC(=O)Cn2nc3c(cc2=O)CCCC3)nc2ccccc21 96345019 GRXOHULMBTVADV-UHFFFAOYSA-N 351.410 1.325 0 40 FDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1nc2c(F)c(F)c(F)cc2s1 284658024 DQSRUVWXZWALHS-YFKPBYRVSA-N 367.374 1.932 0 40 FDAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 96025756 CAUDSFZXBIZNJL-LBPRGKRZSA-N 368.436 1.513 0 40 FDAB O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cn2c(n1)COCC2 626544626 DTWCZXXKXTXUJQ-JTQLQIEISA-N 369.347 1.621 0 40 FDAB Cn1cc([C@@H]2[C@@H](CNc3nccn4nnnc34)CC(=O)N2C(C)(C)C)cn1 664115652 CHOKKXVEVFZCMF-RISCZKNCSA-N 369.433 1.053 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)c1 90744455 JCXHPMGTZMEIFI-QGZVFWFLSA-N 361.419 1.836 0 40 FDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@H]2CCn3nccc3C2)cc1 390830293 KAOLYHGPYQYMQT-HNNXBMFYSA-N 361.467 1.739 0 40 FDAB O[C@H]1[C@H](NC2CCOCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 952844850 NUHYEZGAYPWDFM-LTFPLMDUSA-N 371.437 1.344 0 40 FDAB biogenic,in-vitro CN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2ccc(F)c(F)c2)no1 1775963826 FSKMMSDLSDFJQH-NSHDSACASA-N 351.313 1.963 0 40 FDAB biogenic,in-vitro CC(C)(C)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 5366951 AOKCWIYZYBTYHF-UHFFFAOYSA-N 352.412 1.274 0 40 FDAB COc1ccc(OC)c(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C)C(=O)[C@@H]45)[C@H]23)c1 5321627 LBJLEVNGIGJZQC-YCRNYQIISA-N 356.378 1.304 0 40 FDAB COc1cc(C(=O)NCc2nc(-c3cccnc3)n[nH]2)cc(OC)c1OC 12114710 GYSKGMPWBIXIFL-UHFFFAOYSA-N 369.381 1.823 0 40 FDAB Cc1cc(C)n(CC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 12225277 ZJSQUIBRZUXHSZ-UHFFFAOYSA-N 368.437 1.684 0 40 FDAB C[C@H](NC(=O)COC(=O)c1nccnc1N)c1ccc2c(c1)CCCC2 12791715 GVTABCOJLUAERR-LBPRGKRZSA-N 354.410 1.972 0 40 FDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc2c(c1)OCCO2 14031759 YOIIAKXJDCQOJJ-LBPRGKRZSA-N 359.407 1.999 0 40 FDAB COCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16194367 PIRINKFMTWHRLW-UHFFFAOYSA-N 354.472 1.773 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccncc2)c2cnccc2n1 19405615 MSCAGPPMMPPQKB-ZDUSSCGKSA-N 368.418 1.609 0 40 FDAB COc1cc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)on1 19590596 PIJBSEGMVDHFFR-CYBMUJFWSA-N 371.441 1.410 0 40 FDAB Cc1ccc(-c2cnc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)n2C)cc1C 19663631 PVEFVCJREZIBCM-INIZCTEOSA-N 369.469 1.840 0 40 FDAB Cc1cc(-c2cncnc2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 19692164 WUAGBCSDIQBJIU-UHFFFAOYSA-N 361.471 1.833 0 40 FDAB CC(=O)N[C@]12CN(Cc3nc4ccccc4n3C)C[C@H]1CCN(C(C)=O)C2 19713611 SKIFTSXVOKAMRP-UZLBHIALSA-N 369.469 1.132 0 40 FDAB Cc1cccn2cc(C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)nc12 19746065 OYXHBSARDUMTIE-AWEZNQCLSA-N 364.471 1.577 0 40 FDAB Cc1cnc2c(C(=O)N3CCO[C@](C)(C(=O)NC4CCCC4)C3)cnn2c1 19746931 CWAZEQFLQQJIHA-IBGZPJMESA-N 371.441 1.328 0 40 FDAB Cn1nccc1C(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574913 AGEIUOUEICIIGO-ZWKOTPCHSA-N 373.453 1.390 0 40 FDAB NCc1ccc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 643585932 DQQURGCJWOUGIQ-SFHLNBCPSA-N 352.434 1.905 0 40 FDAB CC(=O)OC[C@@]1(CC(=O)N2CCCC2)CCCN1C(=O)c1ccncc1 643587402 DQDKKHSLKFYBBR-IBGZPJMESA-N 359.426 1.632 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6202247 MCZDSTGVAJQERO-STQMWFEESA-N 358.394 1.615 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2ccc(Br)o2)c2ccccc2O1 6646388 DMESURZQGYTTSX-NSHDSACASA-N 351.156 1.935 0 40 FDAB COc1cnc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)nc1 1888866497 TUSPNYZSLWKSQA-KBPBESRZSA-N 352.442 1.645 0 40 FDAB Cc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)nc(N(C)C)n1 1889149373 AGPRZVAHXPYBBD-UHFFFAOYSA-N 352.446 1.757 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)c1cccnc1O[C@H]1CCOC1 245131300 VOCBVEFBVAEGFH-AWEZNQCLSA-N 366.381 1.155 0 40 FDAB CC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250400 KKGOSEPLUHKDQA-UHFFFAOYSA-N 371.422 1.968 0 40 FDAB CCc1cnc2c(c1Nc1ccc(OC)cc1OC)c(=O)n(C)c(=O)n2C 12227150 UHQNZAAJANMWRF-UHFFFAOYSA-N 370.409 1.955 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CC(F)(F)C1 2055738858 WELSCLWADFNGNI-LLVKDONJSA-N 353.369 1.929 0 40 FDAB c1cnc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)nc1 2298082523 VFXLQIITFTYHOH-CQSZACIVSA-N 366.429 1.122 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC(C)C)C2)n(-c2cccnc2)n1 2332241734 YRJXXDCQFBVUAU-NUEKZKHPSA-N 358.446 1.675 0 40 FDAB CN(C(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 31611553 AQTQWVZNAMZBKT-OAHLLOKOSA-N 364.492 1.922 0 40 FDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102792263 CLIBGOIZKNEGFD-DSIZOQBWSA-N 353.422 1.807 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2ccc(F)cc2Br)n(C)c1=O 10432372 NHOUYMWDMKANLR-UHFFFAOYSA-N 367.178 1.384 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC3CC3)c12 30057351 LTSDVDPZKLEVEU-CYBMUJFWSA-N 374.466 1.869 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCCC3)c1)CS2 40050179 OIJIDDPBCJPEQE-KBXCAEBGSA-N 360.483 1.752 0 40 FDAB C[C@@H]1C[C@H](Sc2nc(C3CC3)nc3c2c(=O)nc(O)n3C2CC2)C(=O)O1 40040142 AWTKAAINXIXNJB-XCBNKYQSSA-N 374.422 1.901 0 40 FDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 30344988 CNEJNIFEWDFBDD-YJYMSZOUSA-N 371.393 1.495 0 40 FDAB CCCC(=O)N1CCC[C@H]1C(=O)OCc1cc(=O)n2c(C)csc2n1 40157160 BNNVWMMUHCBHJI-ZDUSSCGKSA-N 363.439 1.899 0 40 FDAB CCN(CC(=O)NC)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 40118820 BAILNHBIQKGZBO-UHFFFAOYSA-N 362.817 1.402 0 40 FDAB Cn1ccs/c1=N\C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 30991750 SUTLPKOFTCGBFL-NXVVXOECSA-N 351.453 1.540 0 40 FDAB CN(CCOc1ccc(F)cc1)C(=O)CCn1nnc2ccccc2c1=O 32836951 XFALMFSVCLBYNA-UHFFFAOYSA-N 370.384 1.858 0 40 FDAB O=S(=O)(c1ccc(CN2CCC3(CC2)OCCO3)o1)N1CCCC1 52533052 BJUUSERTWCQDNV-UHFFFAOYSA-N 356.444 1.403 0 40 FDAB CCCCOCCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 23082669 VIPKRXKCUYSGRZ-UHFFFAOYSA-N 360.462 1.664 0 40 FDAB Cc1ccc(C(=O)NCC[S@@](C)=O)cc1I 78765052 SFHZJBVWENTAJY-INIZCTEOSA-N 351.209 1.708 0 40 FDAB O=C(NC1CCC(O)CC1)N1CCOC[C@H]1C[C@H](O)c1cccs1 79075635 XOHWHFVWFPZDDK-JYVUQVBGSA-N 354.472 1.886 0 40 FDAB CCC(C)(C)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1 42631921 WJOWDQXPISQQEC-KRWDZBQOSA-N 366.550 1.700 0 40 FDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 2285640 LOMTVBBRHNTAOW-UHFFFAOYSA-N 351.432 1.543 0 40 FDAB O=C(CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)Nc1ccccc1 23762765 MOSYOJTZVYMHMW-IBGZPJMESA-N 365.433 1.773 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCCO2 54641191 BELMLKZFUDSFDW-UHFFFAOYSA-N 351.366 1.428 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nncn2-c2ccccc2)C1=O 12533442 NYEZRWYFGPCIDK-MRXNPFEDSA-N 374.426 1.111 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCO2)cc1 24746457 LSIIYFPTZFLOGE-AWEZNQCLSA-N 356.444 1.049 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 24859734 CLBSVIXMFGWVRB-CYBMUJFWSA-N 366.377 1.138 0 40 FDAB Cc1cccc2cc3c(N)c(C(=O)Nc4c[nH]c(=O)[nH]c4=O)sc3nc12 4848761 SLAGMICPIKXFHQ-UHFFFAOYSA-N 367.390 1.969 0 40 FDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CNC[C@H](O)c1ccccc1 6626674 AFDOVFBOEGXHJE-MSOLQXFVSA-N 359.422 1.961 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103059330 RVKUQAVFGAMYNL-DBIOUOCHSA-N 364.475 1.384 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10371301 CJSSYQDQADRKII-CYBMUJFWSA-N 356.488 1.901 0 40 FDAB CC(C)c1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1 95357352 OVDTYIPPFRHWGE-UHFFFAOYSA-N 372.513 1.989 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[C@@H]1CCOc2ccccc21 35335090 XMODVDMIOIBTJD-MSOLQXFVSA-N 365.433 1.539 0 40 FDAB C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 57645955 ZYRABCWPXSQQGG-LLVKDONJSA-N 367.365 1.101 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 84697572 PQNCLOIUYMRWCF-NSHDSACASA-N 353.423 1.677 0 40 FDAB CCCCN(CC)c1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1 58083923 VDXCVFWWZDNVEV-UHFFFAOYSA-N 360.502 1.993 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)C3)[nH]n1 108524796 IDJZZVVYJRJDJQ-UHFFFAOYSA-N 353.426 1.768 0 40 FDAB COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)cc1Br 62120005 RWRIWWCYPLPMJC-QMMMGPOBSA-N 364.217 1.553 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 53213080 FXZMOJMBIJHKMZ-UHFFFAOYSA-N 362.407 1.296 0 40 FDAB CN(CCCNC(=O)Nc1ccccc1OC(F)(F)F)S(C)(=O)=O 48232166 HXBOKMUMAKKBQL-UHFFFAOYSA-N 369.365 1.988 0 40 FDAB Cc1ccc(NC(=O)CNc2ccn(CC(N)=O)n2)c(Br)c1 58163424 OVKCMQSMRNAMGG-UHFFFAOYSA-N 366.219 1.490 0 40 FDAB CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 84638303 MRZBDYPIKGCRGU-APWZRJJASA-N 351.466 1.467 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 58192533 CMSLVAKEGDPCTB-SNVBAGLBSA-N 362.398 1.718 0 40 FDAB O=C(CNC(=O)c1ccoc1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 58191927 KHKULQKBCOIPDL-CYBMUJFWSA-N 372.299 1.758 0 40 FDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 95446733 XRVZXRGKHRZPKC-UHFFFAOYSA-N 372.473 1.305 0 40 FDAB CS(=O)(=O)c1cc(C(=O)OCCn2cccn2)ccc1Br 58201213 VLPMVRQALZEARI-UHFFFAOYSA-N 373.228 1.906 0 40 FDAB O=C(COc1ccccc1)NCCC(=O)N1CCN(c2ccccc2)CC1 58222850 NRUQCDRZYXGUBG-UHFFFAOYSA-N 367.449 1.921 0 40 FDAB CCn1cnnc1CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 58291038 VTOKUWKDXPAUBU-UHFFFAOYSA-N 360.437 1.901 0 40 FDAB COc1ccc2c(C)c(CC(=O)NCCCC(=O)O)c(=O)oc2c1OC 2123021 UYLJPAKWSYBPOP-UHFFFAOYSA-N 363.366 1.642 0 40 FDAB biogenic O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)CSCc1ccncc1 58377525 RENUCEKYKZLBAE-LBPRGKRZSA-N 361.389 1.984 0 40 FDAB O=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCOCC1 48301356 LWMNPAYOZNXZCU-UHFFFAOYSA-N 363.439 1.327 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 107712345 FGTAWJVQPFDWEM-IRXDYDNUSA-N 354.472 1.819 0 40 FDAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566094 HLTRYJDXJGZEAL-UHFFFAOYSA-N 360.863 1.900 0 40 FDAB COC(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)cc1 11705018 KGUWGUZOKPYZAJ-UHFFFAOYSA-N 363.366 1.042 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N2CCN(c3nccs3)CC2)cc1 29657014 DNGBSHDGGJTDPR-UHFFFAOYSA-N 374.466 1.620 0 40 FDAB COc1ccc(CNC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 29507889 QFTPJWXQOIOHHP-UHFFFAOYSA-N 350.396 1.281 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 9157473 YIGKIYNGDSDCSC-UHFFFAOYSA-N 373.478 1.664 0 40 FDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)OCCOc1ccc(F)cc1 6365839 MIQNZUUMTPFMAP-UHFFFAOYSA-N 371.361 1.865 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 14118386 ZLJUJGFXKRHLQZ-ARGWCVDVSA-N 355.438 1.884 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccs2)cc1 5438514 NXLCPTUMSXNDNN-UHFFFAOYSA-N 366.464 1.888 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 9447146 PLXXOYLNCOTNEI-SFHVURJKSA-N 359.382 1.441 0 40 FDAB COc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24690191 GIMSGIIRFHFQMC-SHQCLWGWSA-N 352.456 1.639 0 40 FDAB Cc1c(C(=O)NC(C)(C)C(=O)N(C)C)nnn1-c1cccc2cccnc12 67170713 FPDZTNFUOCIPTI-UHFFFAOYSA-N 366.425 1.721 0 40 FDAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCCC2)=C1C(=O)OC 67287849 FRTFCAUPWPIHHJ-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(CO)cc1 7002418 OQFFSWVBSPCTGS-UHFFFAOYSA-N 364.423 1.690 0 40 FDAB CS(=O)(=O)CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 71872473 SQAKEAKCFYSGAP-UHFFFAOYSA-N 364.389 1.508 0 40 FDAB C[C@H](OC(=O)c1cc(Br)ccc1N)C(=O)N1CCNC1=O 7203754 NKSSFSUSCKVURY-ZETCQYMHSA-N 356.176 1.128 0 40 FDAB CCN1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1 72079122 YDWUEZZFFWIBIU-UHFFFAOYSA-N 368.547 1.468 0 40 FDAB CCOC(=O)c1c[nH]nc1NS(=O)(=O)c1cccc(C(=O)OC)c1 95466271 QGCCTUSFSQCCBH-UHFFFAOYSA-N 353.356 1.174 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3nc2C)NC(=O)NC1 8937200 GGUGDRPFOZFTRB-UHFFFAOYSA-N 369.377 1.830 0 40 FDAB CCc1nnc2ccc(N3CCC(C(=O)Nc4cc(C)on4)CC3)nn12 95958365 PLNIFWVWTFPGJX-UHFFFAOYSA-N 355.402 1.838 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)CC(C)(C)C)CC3)C2=O)cn1 95961314 APPVAYHPVCQGHG-INIZCTEOSA-N 361.490 1.496 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 95999923 CUGCACAPOJMKET-UHFFFAOYSA-N 365.499 1.257 0 40 FDAB CCc1ccccc1N1C[C@H](C(=O)N2CCC(CC(=O)NC)CC2)CC1=O 74510109 HMOOIEKQNZZWQF-QGZVFWFLSA-N 371.481 1.977 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408671614 ZMZHYOAXGLZNGM-RPLLJCPNSA-N 370.405 1.590 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 408875675 GXJGCLYYDZOYIV-WFASDCNBSA-N 356.444 1.145 0 40 FDAB CCn1c(=O)n(CC(=O)c2ccco2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610558 CDMFCZWLYNRFPS-UHFFFAOYSA-N 367.361 1.573 0 40 FDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccc(F)c2)cc1 67896922 PVWNMIYRZKDIJC-SJLPKXTDSA-N 358.369 1.969 0 40 FDAB biogenic,in-vitro O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(O)c1 32072328 QKUNNAWQCWIPGF-GFCCVEGCSA-N 371.368 1.639 0 40 FDAB CC(=O)Nc1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 36182867 AOLQJVIJDRRFCK-UHFFFAOYSA-N 355.401 1.256 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238859967 KMBCGBXGQPXNRF-ZIAGYGMSSA-N 350.378 1.339 0 40 FDAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 47022831 XHMKKSLASVTMRZ-ZDUSSCGKSA-N 370.496 1.556 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)c1=O 75163120 VGYAURBQIJXGMR-UHFFFAOYSA-N 362.349 1.269 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)COc2ccc(Cl)cc2)C1 225677782 YSBKXRJHXCXBHX-UHFFFAOYSA-N 369.830 1.137 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225445938 DIWAGRRDPDGFAV-CQSZACIVSA-N 366.425 1.792 0 40 FDAB CN1CCN(C(=O)Cn2ccc(=O)c3ccc(Br)cc32)CC1 225741236 XEHTWEBRINZFMD-UHFFFAOYSA-N 364.243 1.538 0 40 FDAB CCN1CC[C@@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 328682914 DGGCMXDUIMCFMB-HIFRSBDPSA-N 353.829 1.826 0 40 FDAB CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc3cnccc23)C1 332242513 VUBCDFINZTYXJN-AWEZNQCLSA-N 362.455 1.659 0 40 FDAB CC(C)CN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 230095234 JEMWNCHPJUPRDL-HUUCEWRRSA-N 356.875 1.810 0 40 FDAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3cc(C)on3)C2)C1 96228499 AHEOFIPOVAIDGA-MAUKXSAKSA-N 351.447 1.573 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@@H]1COC 96219969 SZMRZHTXRLFCJJ-OAHLLOKOSA-N 351.447 1.573 0 40 FDAB Cn1c(C[C@H]2CN(S(C)(=O)=O)CC[C@H]2CC(=O)O)nc2ccccc21 514288855 GCBHDYZTVBWHNY-STQMWFEESA-N 365.455 1.488 0 40 FDAB biogenic,in-vitro CNC(=O)c1ccn([C@H]2CCCN(c3ccnc4c3c(C)nn4C)C2)n1 579222104 CCSZTGXKVRAEIO-ZDUSSCGKSA-N 353.430 1.674 0 40 FDAB O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96062454 SPKMEIQVVRTOMG-OAHLLOKOSA-N 357.501 1.160 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)CC(=O)N(CCO)c1ccccc12 96243936 OVQVNYGUYSHKEB-UHFFFAOYSA-N 354.454 1.683 0 40 FDAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1cccnc1 247852227 JCKUFTFMLLFHHY-SFHVURJKSA-N 355.442 1.520 0 40 FDAB NC(=O)C[C@@H]1CCN(C(=O)c2cnn3c(-c4cccs4)ccnc23)C1 585085583 NBJMDZSJDDAAJD-NSHDSACASA-N 355.423 1.795 0 40 FDAB CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)CNS(C)(=O)=O 257227686 FQLMTEUQFXNVKK-YESZJQIVSA-N 365.499 1.362 0 40 FDAB Cc1cc(-c2cnc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257215032 COJMCPQRBGYXSL-ZDUSSCGKSA-N 364.475 1.236 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H](Cc3cc(-c4nccn4C)ncn3)C2)n1 257279455 OGTDQGMZHKLVEO-CYBMUJFWSA-N 351.414 1.315 0 40 FDAB CC(C)c1nnc(CCC(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)o1 257328369 XFICMABRURWKSG-CKEIUWERSA-N 350.463 1.572 0 40 FDAB CNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)c2scnc2C)c1 257316810 VHCCUOQKYPVUPG-HNNXBMFYSA-N 372.450 1.467 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)CN3CCCC3)ccnc12 257218351 DCUSSHVHABOMKG-OAHLLOKOSA-N 370.457 1.238 0 40 FDAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cc(C(C)(C)C)on1 262252303 VPQDLLCPAXVXSL-LLVKDONJSA-N 351.403 1.367 0 40 FDAB CC(C)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381554 HNNCYMUATPZULA-SGFSRKTBSA-N 366.433 1.116 0 40 FDAB biogenic,in-vitro CN1C[C@@H]2C[C@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260832575 KPKGGLGYPLCSKE-BONVTDFDSA-N 354.453 1.153 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)Cc1c(F)cccc1Cl 643971173 ARWBEJLXKOKWFH-CQSZACIVSA-N 365.810 1.875 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 666676799 AEPIEWAPLUOTHK-YNEHKIRRSA-N 358.464 1.424 0 40 FDAB CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnn(C)c1 26906242 UWVBVMBHNIFRMM-UHFFFAOYSA-N 359.449 1.730 0 40 FDAB C[C@@H](NC(=O)CNC(=O)c1ccco1)c1cccc(NS(C)(=O)=O)c1 40090103 GATOGTINPDCDEA-LLVKDONJSA-N 365.411 1.258 0 40 FDAB CCN(CC)CCOc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 56380467 HXPXAPXLACBYAU-SFHVURJKSA-N 368.499 1.714 0 40 FDAB CCCCNC(=O)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 95998795 KOKFVFFLPKUVAW-QGZVFWFLSA-N 366.506 1.284 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2[nH]c(=O)c(C)nn12 5144043 YYBZNEISJASVGW-UHFFFAOYSA-N 364.818 1.814 0 40 FDAB CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 12770100 VBNLQOSMJBDETC-UHFFFAOYSA-N 370.408 1.094 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(-c2cccs2)o1 13792899 WDCJTUWQVOTKEE-SECBINFHSA-N 356.429 1.551 0 40 FDAB Cc1nccn1CCCNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19288137 QMKQKJVGFNGYJO-RZQQEMMASA-N 366.421 1.785 0 40 FDAB O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCCC1 19292029 PHQSMMHUTDZCJH-MRXNPFEDSA-N 358.486 1.772 0 40 FDAB CCc1nc2cc(NC(=O)CCCN3C(=O)CNC3=O)ccc2n1CC 19523205 FORLHGKUSWJYCH-UHFFFAOYSA-N 357.414 1.889 0 40 FDAB CN(C)c1ccc(CCNC(=O)CC2CCN(S(C)(=O)=O)CC2)cc1 19748599 MKLUMSYCSWIFBH-UHFFFAOYSA-N 367.515 1.473 0 40 FDAB CO[C@@]1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CCSC1 225623626 LBRQIDBVWXPFFF-MRXNPFEDSA-N 357.497 1.661 0 40 FDAB COCCOc1ccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 643585468 NNLNAFKXGSUUOZ-OIISXLGYSA-N 353.415 1.118 0 40 FDAB CCCCn1c(S[C@H](C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O 3370390 KOPJXQVAPJRMJZ-SNVBAGLBSA-N 363.439 1.949 0 40 FDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccnc2)c1 12527163 SWYHDPAASNDWNA-UHFFFAOYSA-N 367.858 1.958 0 40 FDAB CC(C)c1nccc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)n1 1889091924 XBPOEFYHLIZIFH-UHFFFAOYSA-N 369.473 1.553 0 40 FDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24688359 JLSGTJDRYILORI-OCCSQVGLSA-N 358.435 1.523 0 40 FDAB Cc1ncncc1C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037840846 UKESKXZDTPIGPK-UHFFFAOYSA-N 366.421 1.823 0 40 FDAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1 1565547375 ORJABQKNALVKAF-VQIMIIECSA-N 358.442 1.478 0 40 FDAB CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC)c(=O)n(C)c3nc12 4370391 DVOKUGUCJONWKL-UHFFFAOYSA-N 367.409 1.866 0 40 FDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 12373966 PPVVUACLCWZQJO-UHFFFAOYSA-N 357.801 1.946 0 40 FDAB COc1ccc(NC(=O)C(=O)NCC2CCN(C(C)C)CC2)c(OC)c1 12441381 QYCODGOYUDTSNH-UHFFFAOYSA-N 363.458 1.879 0 40 FDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055717924 IFLMJTVJVHEQJN-JTQLQIEISA-N 358.364 1.796 0 40 FDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 10457592 TXKXKTVDGMHNAL-QGZVFWFLSA-N 367.449 1.699 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 40034512 HYGUHXMTZVIHMZ-UHFFFAOYSA-N 362.354 1.618 0 40 FDAB Cc1cc(C(=O)NCc2cccnc2-n2cccn2)ccc1-n1cnnn1 31226861 ZHBGLJVOSNYJOT-UHFFFAOYSA-N 360.381 1.481 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2OC)C1 21044805 FGYNIIMFLKBBCD-CQSZACIVSA-N 362.426 1.617 0 40 FDAB CCS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 52051372 MDFSLRDBUOXFCZ-UHFFFAOYSA-N 356.875 1.866 0 40 FDAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 32870536 GYWNDTSSHPEVHX-JTQLQIEISA-N 361.379 1.708 0 40 FDAB CN1CCN(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CC1 52710224 JQJLTWPKHVXNKC-UHFFFAOYSA-N 352.485 1.933 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 102946759 VTVWIEDMIHLAET-HUUCEWRRSA-N 371.412 1.426 0 40 FDAB COc1ccc(OC)c2c1CN(C1=NS(=O)(=O)c3ccccc31)C[C@@H]2O 22421337 UEERVOALUNSXDR-ZDUSSCGKSA-N 374.418 1.702 0 40 FDAB COc1ccc(OCCN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 22781191 NOSRPUVHEDHERY-HXUWFJFHSA-N 369.465 1.918 0 40 FDAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(CC(=O)NC2CC2)CC1 22786909 WNDDVICFPHBION-UHFFFAOYSA-N 354.454 1.555 0 40 FDAB O=C(O)CC1(CNC(=O)Cn2cnc3ccccc3c2=O)CCCCC1 9054145 RXNMOYSMJCQEGS-UHFFFAOYSA-N 357.410 1.938 0 40 FDAB CCOc1cccc(/C=N/N2C(=O)CSC2=S)c1OCC(=O)O 6965000 UMJWBKOGWIDNSN-GIDUJCDVSA-N 354.409 1.743 0 40 FDAB CN(C)S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2Cl)CC1 26169638 QRRPIJHKYOVSGP-UHFFFAOYSA-N 374.894 1.093 0 40 FDAB CCCCn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 57427157 WUBDGYRIAHAOBX-GFCCVEGCSA-N 365.455 1.320 0 40 FDAB Nc1nccnc1C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 58183022 CHVIOYDRBOKLTQ-SNVBAGLBSA-N 356.304 1.247 0 40 FDAB CS(=O)(=O)Nc1ccsc1C(=O)OCc1nnsc1Cl 59259924 CDJRBEODXMFCBX-UHFFFAOYSA-N 353.834 1.982 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3Cc2ccccn2)n1 100146401 OOSOFVBFMGGBBC-ROUUACIJSA-N 354.454 1.895 0 40 FDAB Cn1nccc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)CSc1ccccn1 100210391 BLPKCZVTYXMJJU-KBPBESRZSA-N 358.467 1.948 0 40 FDAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnc(C)cn1 12770773 IEFHLOPEJGSMQU-UHFFFAOYSA-N 362.411 1.487 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(F)cc1 20245144 IJMKLADXYIANPO-UHFFFAOYSA-N 355.391 1.348 0 40 FDAB Cn1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@H]23)c2ccccc21 100849850 GDCBDHYZDGAKAU-IJLUTSLNSA-N 371.443 1.807 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1c(C)n[nH]c1C 3398920 YCIGZDLXJRNNHZ-UHFFFAOYSA-N 369.399 1.631 0 40 FDAB Cc1nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)nn1-c1ccc(F)cc1 53273950 GUJFRTADIWZYHY-HNNXBMFYSA-N 352.391 1.022 0 40 FDAB Cn1c(N)c(C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O 3328015 LZZKDKWNPUZGBM-UHFFFAOYSA-N 374.466 1.069 0 40 FDAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 36569475 ZQAPBHXSKLRCBR-BDJLRTHQSA-N 366.377 1.268 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1(c2ccccc2)CCC1 11175456 LATOYRONTDBHPY-UHFFFAOYSA-N 363.417 1.928 0 40 FDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](C)C3)C2=O)cc1 24834102 CCEVDLIRKGQVTA-VBKZILBWSA-N 373.453 1.824 0 40 FDAB Cn1ncc2c(N3CCN(C(=O)Nc4ccccc4F)CC3)ncnc21 12801806 PNTCJJMOPIAFNW-UHFFFAOYSA-N 355.377 1.857 0 40 FDAB COc1ccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 12896822 JIXZMNSJMXWJTB-SFHVURJKSA-N 369.421 1.407 0 40 FDAB Cc1noc([C@H](C)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1 29523271 HDIMPLULSQXYGE-ZDUSSCGKSA-N 354.414 1.265 0 40 FDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccc(Cl)c1 10339406 HFZUIAPBMUGGHP-UONOGXRCSA-N 365.817 1.378 0 40 FDAB Cc1ccc(N(CCCC(=O)NCCCN(C)C)S(C)(=O)=O)cc1C 10368786 QFWNOWNIOUVMIZ-UHFFFAOYSA-N 369.531 1.918 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C 2653316 GFBGQOCUQORCOI-UHFFFAOYSA-N 369.377 1.976 0 40 FDAB CN1C[C@]2(CCN(Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O 306138831 SIPFUKSKBKMEHW-SFHVURJKSA-N 359.451 1.739 0 40 FDAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NC[C@H]1CCCO1 14181421 CBOABKMIWQGVGC-GXFFZTMASA-N 351.407 1.577 0 40 FDAB CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 14170771 CXAGYIQNSKBGGY-UHFFFAOYSA-N 373.453 1.035 0 40 FDAB CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3ccccc3)ccc21 4520595 BFLMYAPTQXONQM-UHFFFAOYSA-N 360.435 1.818 0 40 FDAB Cc1ccccc1CN(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 5778776 SJWLYVZLTCKRIB-UHFFFAOYSA-N 358.419 1.798 0 40 FDAB Cc1nn(CC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1Br 6921630 ZGKICLMRUURPFR-VIFPVBQESA-N 355.114 1.423 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCNC(=O)OC(C)(C)C 9486557 MQSOJQYIEJLBBU-AWEZNQCLSA-N 365.430 1.595 0 40 FDAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@@H](C)CO)cn(C3CC3)c12 9476580 SBEZOQQJBFYSQU-QMMMGPOBSA-N 352.337 1.734 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1ccncc1 9419635 QQHXINZSFSLPFA-KRWDZBQOSA-N 366.421 1.641 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 16085909 GQVRXTMBSYIOMY-UHFFFAOYSA-N 362.407 1.895 0 40 FDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 9613762 DGZULPTWLVRSOM-UHFFFAOYSA-N 359.382 1.666 0 40 FDAB Cc1noc2ncc(S(=O)(=O)N3CCNC(=O)c4ccccc43)cc12 95466285 ZIHWGUGWPMNGNA-UHFFFAOYSA-N 358.379 1.470 0 40 FDAB CC1CCN(C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)CC1 95947115 IFLFKPINPIBMKC-UHFFFAOYSA-N 372.513 1.179 0 40 FDAB Cn1cc(-c2cnc3c(N4CCN(Cc5ccccn5)CC4)nccn23)cn1 306132254 LCYWQKDXHCCLCC-UHFFFAOYSA-N 374.452 1.847 0 40 FDAB Cc1cnc(CNC(=O)Cc2cn3c(n2)[C@H](C)N(CC2CC2)CC3)cn1 306130454 JGUDJPXASIMSJU-AWEZNQCLSA-N 354.458 1.627 0 40 FDAB CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945322 XBQSUFVHFRFPRV-KRWDZBQOSA-N 370.453 1.395 0 40 FDAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1C 524733319 HNYWIOPKHHBKKE-UHFFFAOYSA-N 360.366 1.549 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36071139 QWJKVEARBALUSW-OAHLLOKOSA-N 361.423 1.422 0 40 FDAB CCSc1nnc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)s1 70637007 LWSHRUHROWUYJH-UHFFFAOYSA-N 366.472 1.948 0 40 FDAB Cc1cc([C@@H](O)CNS(=O)(=O)c2cccc3nsnc23)c(C)o1 1565519943 XBMOZZBMAPBGDD-LBPRGKRZSA-N 353.425 1.913 0 40 FDAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(OCC(N)=O)c2)C1 32913132 CPHRNFNXRTUFNV-CYBMUJFWSA-N 362.430 1.319 0 40 FDAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72360305 WEFNAFMAABSKNA-NSHDSACASA-N 369.476 1.323 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 15953785 UBGWGSLTOWNMSA-ILXRZTDVSA-N 361.442 1.565 0 40 FDAB biogenic COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217493946 YOLXEBAIHBIURA-UHFFFAOYSA-N 368.411 1.905 0 40 FDAB Cc1ccc2oc(N3CCN(C(=O)NCc4ncn(C)n4)CC3)nc2c1 130460350 CPEHXJCCZXUTAQ-UHFFFAOYSA-N 355.402 1.297 0 40 FDAB CC(C)(C(=O)O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 570929197 BBAQSCATLLFWHA-NSHDSACASA-N 374.315 1.918 0 40 FDAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 514289909 PXHGOFCTRZQZSN-RBUKOAKNSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44600978 RQNHYYCHXJPDFQ-CQSZACIVSA-N 362.393 1.962 0 40 FDAB CC(C)(C)CC[C@@H](NC(=O)c1ccccc1SCC(N)=O)C(N)=O 1586423917 MQQFGJCPFZTEPZ-GFCCVEGCSA-N 351.472 1.674 0 40 FDAB Cc1nc(CN2CCNC(=O)C23CCN(C(=O)NC2CC2)CC3)cs1 96230216 QVLGIHKKWFQEQC-UHFFFAOYSA-N 363.487 1.090 0 40 FDAB O=C(c1ccncc1F)N1CCc2ncnc(N3CCOCC3)c2CC1 96255733 JQMQNMJZZKUTAS-UHFFFAOYSA-N 357.389 1.088 0 40 FDAB CS(=O)(=O)NCc1ncn2c1CN(C(=O)c1ccsc1)CCC2 96259427 KYNMMDWMLLZXMO-UHFFFAOYSA-N 354.457 1.040 0 40 FDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)n1 96110073 PSWODJJFDKDVFB-YLJYHZDGSA-N 352.438 1.550 0 40 FDAB CO[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96215666 GUQZVQTUWOXYLQ-OTWHNJEPSA-N 359.470 1.556 0 40 FDAB CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1nccn1C)CC2 96199878 QZABNNVJHDOLTB-INIZCTEOSA-N 356.474 1.524 0 40 FDAB CC(C)N1CCOC[C@@]2(CC[C@H](CNC(=O)c3cc(C4CC4)on3)O2)C1 248136745 AHIILMHKXLBTJR-DNVCBOLYSA-N 363.458 1.940 0 40 FDAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCCCN 257245050 INXCCEGBMCKXMR-LJQANCHMSA-N 357.458 1.158 0 40 FDAB COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)cc1 257312453 UOAMFBVTFOWGOS-FQEVSTJZSA-N 372.469 1.908 0 40 FDAB CCn1nc(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)cc1C 252498954 RRTAEUAZUHPFRV-SNVBAGLBSA-N 350.400 1.732 0 40 FDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCCN(C)C)cc2NC1=O 252496569 PLRSPILPBDCOOO-INIZCTEOSA-N 369.487 1.806 0 40 FDAB CCO[C@H](CS(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1)C1CC1 606444803 YNSLKEORHXLMNQ-XJNFMUPTSA-N 361.504 1.790 0 40 FDAB O=C(NCCCn1cccn1)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630651248 BESUFMIKIKBWGG-DLBZAZTESA-N 356.426 1.507 0 40 FDAB Cc1nc(=N)[nH]c(=NCc2cccc(OCCN(C)C3CCOCC3)c2)[nH]1 631096973 NEFLIXTYRZBBOH-UHFFFAOYSA-N 372.473 1.116 0 40 FDAB CN1CCN(C[C@@H]2CN(C(=O)c3cccc4c3CCCC4)CCO2)CC1 648277525 WIYTWLUVLMGBCH-GOSISDBHSA-N 357.498 1.654 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 656919568 RTBRGHQDZPQTFU-HNNXBMFYSA-N 365.499 1.590 0 40 FDAB O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cccc(F)c1F 585286667 HLLOCZXDUUZGAR-LPHOPBHVSA-N 371.424 1.837 0 40 FDAB CCOC(=O)CN(CC)S(=O)(=O)c1ccc(OCCOC)c(C)c1 48309676 QIHVMBSQBDKXMB-UHFFFAOYSA-N 359.444 1.594 0 40 FDAB COc1ccc(C(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)N(C)C 49957592 FZBFJUVPYNFXDS-UHFFFAOYSA-N 366.443 1.975 0 40 FDAB COCCn1/c(=N\C(=O)c2ccn(C)n2)sc2cc(C(=O)OC)ccc21 11695585 JCXMLRAEITUNDC-ISLYRVAYSA-N 374.422 1.610 0 40 FDAB C[C@H](NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1cccs1 12551453 PAPPIMPSKFBXJT-NSHDSACASA-N 365.480 1.635 0 40 FDAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16576565 UBFAKHAOYHAXBB-ZDUSSCGKSA-N 356.444 1.001 0 40 FDAB O=C1NC[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)Oc2ccccc21 19374775 ZBQKBJSFKPLGGJ-HXUWFJFHSA-N 351.406 1.808 0 40 FDAB Cc1nc2cc(-c3ccco3)nn2c(NC[C@@H](O)CN2CCOCC2)c1C 19555720 OKPCIOHTZGPRLZ-OAHLLOKOSA-N 371.441 1.711 0 40 FDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc2nsnc2c1 19748932 UIOAJRJIPYBCKX-ZDUSSCGKSA-N 362.455 1.839 0 40 FDAB CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 104131587 ZJECJZSKEVZMMU-AWEZNQCLSA-N 353.426 1.317 0 40 FDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)n1)CCC2 1888876510 SCSQEISGBGBAMG-OAGGEKHMSA-N 371.485 1.530 0 40 FDAB CC(C)CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 14680431 CQIUCDJKFQZNIS-CQSZACIVSA-N 371.503 1.601 0 40 FDAB CC(=O)N1C[C@H](C(=O)O[C@H](C(N)=O)c2ccccc2)Oc2ccccc21 21488242 DTNYNUGFCVXIGO-SJORKVTESA-N 354.362 1.570 0 40 FDAB O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCOCC3(CC3)C2)N1Cc1ccccc1 630670188 CEQKSOVYRZNAPN-IRXDYDNUSA-N 358.438 1.743 0 40 FDAB O=C(NC1CCCCC1)c1nnc2n1CC[C@@H]1CN(C(=O)CCF)C[C@@H]21 1565554479 SMHGWEDRKHEGLP-TZMCWYRMSA-N 363.437 1.646 0 40 FDAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)[C@]1(C)CC=CCC1)C2 1565546478 CTTQEBIJVGVPDI-VBKZILBWSA-N 374.485 1.862 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2ccc3c(OC)cccc3c2=O)CC1 4292192 JLPOMZRYZLJSBE-UHFFFAOYSA-N 373.409 1.311 0 40 FDAB O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 5145983 UJMZSBBYCWULLR-UHFFFAOYSA-N 362.382 1.975 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1C 9571173 WQSSVPJBFDRBMG-UHFFFAOYSA-N 359.411 1.458 0 40 FDAB COc1nn(C)cc1-c1nnc(SCC(=O)N2CCCCC2)n1C 12422555 HTNIHYRTOQKMAS-UHFFFAOYSA-N 350.448 1.329 0 40 FDAB CC(C)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 2055717965 OQAXKKVFSVPFOW-PXNSSMCTSA-N 357.502 1.930 0 40 FDAB Cc1ncsc1C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575610802 BFJRXMYRQXGUPJ-UHFFFAOYSA-N 370.431 1.522 0 40 FDAB O=C1[C@@H]2C[C@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 585387409 QWRRVZZOFQZTRK-VXGBXAGGSA-N 374.340 1.083 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)NCCN2C(=O)COc3ccccc32)cc1 1627282182 VOGKMSOAGFVUGI-UHFFFAOYSA-N 365.389 1.967 0 40 FDAB O=C(NCCCn1ncccc1=O)[C@H]1CCCN1c1nc2ccccc2o1 618255581 SWIJVMBPWSUPCY-OAHLLOKOSA-N 367.409 1.560 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(N)=O)N2C=Cc4ccccc4[C@@H]32)cc1 20443090 TUZPGQYZYBPBNB-RDGPPVDQSA-N 373.412 1.996 0 40 FDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)NCc2c(C)noc2C)nn1 77197279 GPCFJCGDNYYREC-INIZCTEOSA-N 371.397 1.555 0 40 FDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)ccn3)C2=O)cc1 12558399 QMTMHPYSZJOVNQ-LJQANCHMSA-N 368.393 1.804 0 40 FDAB COc1cccc(N2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c1 79492626 NYZQNCNMMDZSQW-UHFFFAOYSA-N 371.437 1.430 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NCCC(C)C)cc1 4285365 YIICRZRHWMPYRW-UHFFFAOYSA-N 355.456 1.864 0 40 FDAB COc1ccc([C@@H](Cc2ccccc2)C2(O)C(=O)NC(=O)NC2=O)cc1 6411356 UUMIUSRDNTYCEK-OAHLLOKOSA-N 354.362 1.119 0 40 FDAB Cn1ncc2c1CCC[C@H]2NC(=O)CCn1nc(O)c2ccccc2c1=O 24989257 CWFMUUOJHDPBGU-OAHLLOKOSA-N 367.409 1.420 0 40 FDAB CN1CCN(C(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 8091743 XOSJFCOAPSPFFI-UHFFFAOYSA-N 366.270 1.046 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 8476033 TXIVARACSFEBHY-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB O=C(CN(Cc1ccc(F)cc1F)C1CC1)N[C@@H]1CCS(=O)(=O)C1 59388114 UIJOYQZDRXLYIK-CYBMUJFWSA-N 358.410 1.233 0 40 FDAB CC(C)(C)OC(=O)NCC1CCN(c2nc(N)c(C(N)=O)s2)CC1 101353589 FRZVECLPFYYINQ-UHFFFAOYSA-N 355.464 1.565 0 40 FDAB Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(S(C)(=O)=O)nc21 118579292 SWNSQQKYEQYRAJ-UHFFFAOYSA-N 367.333 1.803 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCC1 58193015 QNOFWFNQFLSKRZ-UHFFFAOYSA-N 365.224 1.489 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C=C/c2ccc(C)o2)C1 58419935 HLKRTWYJHLITIR-BOLDSZDNSA-N 362.426 1.861 0 40 FDAB CCn1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737832 JHWRUHGWUNZKQZ-IAGOWNOFSA-N 357.458 1.326 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691749 SHKYBLIFFGZZFI-KWBADKCTSA-N 364.345 1.341 0 40 FDAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCc1ccco1 45970253 VQXCATDGNFPSFY-UHFFFAOYSA-N 373.438 1.753 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@H]2CSC(C)(C)C(=O)N2)cc1 12892600 LZRNVPIJWWZINT-GFCCVEGCSA-N 352.412 1.187 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCC(F)(F)F 2624003 WAKBOWUJSPFIJA-HNNXBMFYSA-N 355.316 1.449 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102085327 KTPAOCHQVWUUSJ-KMNSEVKQSA-N 373.380 1.971 0 40 FDAB Cc1ccnn1CCCNC(=O)c1cc2ncc(Br)cn2n1 2792648 UHWCPWMZIXDTSR-UHFFFAOYSA-N 363.219 1.817 0 40 FDAB O=S(=O)(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccnc1 96000674 HZJJMMOQIIQZCW-HNNXBMFYSA-N 369.450 1.557 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H]1CCCO1 6044531 ZEGWIYWDJNULKQ-LBPRGKRZSA-N 357.501 1.711 0 40 FDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 4386502 DWESZWTXBAYTJA-UHFFFAOYSA-N 373.800 1.944 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c1C 13986042 FZTPSCSDEFCDFS-QMMMGPOBSA-N 350.293 1.642 0 40 FDAB O=C(NC1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1)c1ccc[nH]1 65552588 VDMNJRAVRYBLGF-KRWDZBQOSA-N 367.405 1.517 0 40 FDAB CCCCNC(=O)COCC(=O)N1CCN(c2ccc(F)cc2)CC1 4682677 JONCQMNDSKUGQP-UHFFFAOYSA-N 351.422 1.407 0 40 FDAB CN1CCN(c2ncccc2CNC(=O)c2cccc3cn[nH]c23)CC1 66343920 LRUYUVOKEDEHFT-UHFFFAOYSA-N 350.426 1.640 0 40 FDAB COc1cc([C@H]2NS(=O)(=O)N=C3CCCCCN32)cc(OC)c1OC 6848347 BCPCOYYCLQEGLM-INIZCTEOSA-N 369.443 1.834 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C2CCOCC2)CC1 81032699 HTTQIRSJAFILHJ-UHFFFAOYSA-N 366.483 1.335 0 40 FDAB CS(=O)(=O)c1ccc2nnn(OCCOc3ccccc3F)c2c1 9503133 JFHNKWUQGRDJSV-UHFFFAOYSA-N 351.359 1.482 0 40 FDAB CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Br)cn(C)c1=O 81657830 DBZLHYDZOGRGQB-SNVBAGLBSA-N 360.233 1.008 0 40 FDAB O=C(NCCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc2[nH]nnc2c1 84452036 MYYMDCAIIZAISF-HZPDHXFCSA-N 357.414 1.248 0 40 FDAB CC(=O)N1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 17639375 BOMLTHUWXMPSNK-UHFFFAOYSA-N 360.439 1.017 0 40 FDAB O=C1OCCN1CCN1CCN(CCOc2ccc3c(c2)CCC3)CC1 69861520 DXWKVIXKRROZOE-UHFFFAOYSA-N 359.470 1.624 0 40 FDAB CCCc1nnc(NC(=O)[C@@H](CC)Sc2nc(O)cc(=O)[nH]2)s1 9667803 YBAVYAFXEUSLLY-SSDOTTSWSA-N 355.445 1.789 0 40 FDAB CCOC(=O)CCCS(=O)(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 84793422 SQACHUYQTUILNF-GOEBONIOSA-N 357.472 1.804 0 40 FDAB CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96998337 JGDYCATXYZYXLG-MRXNPFEDSA-N 365.543 1.870 0 40 FDAB O=C1CCCN1C[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 95959296 IETVEDGUQPBBLW-INIZCTEOSA-N 361.442 1.176 0 40 FDAB COc1nc(N(C)Cc2cccc(C(N)=O)c2)ncc1Br 85658327 COMOXOUCWKIMCJ-UHFFFAOYSA-N 351.204 1.983 0 40 FDAB CCN(CC)CCOC1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 74974604 HVOSQLZCSBVVAC-MRXNPFEDSA-N 361.552 1.928 0 40 FDAB CN(C)C(=O)CNC(=O)CSc1nnc(Nc2ccccc2F)s1 9951339 RTFUWNFVHIDOHY-UHFFFAOYSA-N 369.447 1.717 0 40 FDAB C[C@@H]1CCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c2C1 20477965 LRXRJCKEVIFXLW-GFCCVEGCSA-N 372.498 1.578 0 40 FDAB CN(C)CC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn21 306133013 LYUYEAZHVOZELO-OAHLLOKOSA-N 352.442 1.919 0 40 FDAB O=C(c1cscn1)N1Cc2cncn2[C@H](COCC2CCOCC2)C1 306132745 LQWHJOSEBVUZDD-HNNXBMFYSA-N 362.455 1.980 0 40 FDAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 67897328 ZRKMCBCEGYPIHF-CVEARBPZSA-N 362.380 1.310 0 40 FDAB biogenic,in-vitro CCC[C@@H]1N=c2s/c(=C/c3ccco3)c(=O)n2C(C)=C1C(=O)OCC 408732435 RJLYPPFXOIWQSP-LFGHMXSPSA-N 360.435 1.928 0 40 FDAB Cc1cccc(CN2C[C@@H](c3ccnn3C)[C@@]3(CCCN(C)C3=O)C2)n1 306133400 MKHNKRGZCFBTTH-FXAWDEMLSA-N 353.470 1.962 0 40 FDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 408612015 XXQFKUPXTDBFDN-CYBMUJFWSA-N 358.460 1.293 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 72346975 DXCOWWHDLJSCOJ-UHFFFAOYSA-N 370.457 1.247 0 40 FDAB N[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2ccnc3nccn23)C1 72360640 STCXQKWIPUPOOT-GDBMZVCRSA-N 353.401 1.754 0 40 FDAB CCc1nnc(C)cc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 329499729 HFHPAQOPSOOBMT-UHFFFAOYSA-N 359.518 1.837 0 40 FDAB COc1cccc(N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1 223021293 KIDOWOIQYNZEBY-UHFFFAOYSA-N 370.452 1.892 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)c1ccccn1)CC2)c1cnccn1 96051524 LIQUXZPGAVRTHS-INIZCTEOSA-N 351.410 1.686 0 40 FDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)Cc4cccc(F)c4)C3)C2=O)cn1 96159573 UANQCHDIPOQRPT-LJQANCHMSA-N 356.401 1.757 0 40 FDAB O=C(c1ccno1)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96263858 HXYSNFGMYDZPDV-RYUDHWBXSA-N 363.395 1.019 0 40 FDAB Nc1nccnc1[C@@H]1CN(C(=O)CCn2cnc3ccccc32)CCO1 257275878 NRJCWGZMCCXAFD-HNNXBMFYSA-N 352.398 1.399 0 40 FDAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCC1)C2 604381018 BWJOEACSVKSDLK-LJQANCHMSA-N 355.482 1.840 0 40 FDAB biogenic,in-vitro CCn1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c(C)n1 257302575 SDLOLBHQGBHXDB-INIZCTEOSA-N 356.417 1.520 0 40 FDAB Cn1cc(O[C@@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@H]2O)cn1 624423792 UZLORALBYMTIAQ-HZPDHXFCSA-N 359.430 1.550 0 40 FDAB C[C@@H](NC(=O)NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1cscn1 661637280 LXWGQTMJMBPRGA-UGFHNGPFSA-N 364.475 1.309 0 40 FDAB C[C@@H](O)[C@@](C)(CNC(=O)c1cnnn1C1CCNCC1)Cc1ccccc1 662539875 NDYKVCPIWWUXFA-FOIQADDNSA-N 371.485 1.562 0 40 FDAB 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COc1ccc(CN(C)C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 42524598 TUUQSLXBTWKHBT-UHFFFAOYSA-N 356.378 1.812 0 40 FDAB O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1 7974115 JEFQVGBPHHREBZ-UHFFFAOYSA-N 365.430 1.233 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cncn2-c2ccccc2)cc1 7988872 IFSPSEMUAKWCSI-UHFFFAOYSA-N 370.434 1.492 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NC1CCCCC1 34886196 JVTOMLXQNWQPLC-UHFFFAOYSA-N 372.469 1.603 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(F)ccc1F 26398572 CQDOOOUBZSPGAH-UHFFFAOYSA-N 359.354 1.829 0 40 FDAB CCN(CC)c1ccc(OC(C)=O)c(/C=c2\sc3ncnn3c2=O)c1 10037736 FGVHJGWQZZVPJW-DHDCSXOGSA-N 358.423 1.470 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(N2CCCC2=O)c1 48263082 REFMOQUFHHSRTD-ZDUSSCGKSA-N 355.394 1.841 0 40 FDAB Cc1nc(C2(NC(=O)C3CCN(S(C)(=O)=O)CC3)CCCCC2)no1 23508726 QEXZFIZBFYSSTP-UHFFFAOYSA-N 370.475 1.325 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100179639 CNPQLLVHIADDDV-QJLMEOIESA-N 369.465 1.715 0 40 FDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CSCC3)c(OC)c1 71286358 KEJWXUYOLUOZDM-UHFFFAOYSA-N 361.423 1.689 0 40 FDAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646791 PJOLYMNTLWHFHR-SGPFNECBSA-N 359.378 1.765 0 40 FDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2nccs2)CC1 10672439 YEKFBWBGGPFLRD-UHFFFAOYSA-N 369.450 1.661 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)O)c2O)c1 97144258 RLTAQZSTMYDOIO-UHFFFAOYSA-N 365.363 1.986 0 40 FDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1n[nH]c(=O)c2ccccc12 11114545 WOWNUZMYBKDNGT-UHFFFAOYSA-N 365.393 1.085 0 40 FDAB COc1ccc(CCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 2419537 ORLVQFRQGBVFLJ-UHFFFAOYSA-N 369.425 1.275 0 40 FDAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)[C@@H]2COCCO2)CC1 95357300 QLBWKLDPOHPVEZ-HNNXBMFYSA-N 351.378 1.354 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)cc1 12924091 FWYYNTPGWPWTIP-UHFFFAOYSA-N 366.421 1.746 0 40 FDAB CN(C)C(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@H]2C1 306127899 GKHKUUDFLOAEPT-STQMWFEESA-N 354.414 1.316 0 40 FDAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6376873 DLPNAFXYXJDWHR-NSHDSACASA-N 354.428 1.785 0 40 FDAB COC(=O)[C@](NS(C)(=O)=O)(c1c[nH]c2ccccc12)C(F)(F)F 4594386 UKJZQBADXBTKON-GFCCVEGCSA-N 350.318 1.648 0 40 FDAB COCCCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 6679434 IDHNHUXDKYZFOA-UHFFFAOYSA-N 373.434 1.367 0 40 FDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)N2CCCCCC2)cc1 14731085 RBBAEDXLFRVTBW-UHFFFAOYSA-N 355.460 1.686 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1C(=O)c1cccs1 6881105 FGIXNJRMOUINPM-CQSZACIVSA-N 368.422 1.967 0 40 FDAB O=C(O)Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408710624 RYLPJXMYOAZIJB-MWDDYTRKSA-N 354.362 1.059 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 80294312 NNDKSHQTHKFUPK-UAGQMJEPSA-N 366.483 1.832 0 40 FDAB CCCC[C@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](C)O 7425787 VEPNMRYQAJBKQI-RYUDHWBXSA-N 351.451 1.432 0 40 FDAB CCOC(=O)c1sc(NC(=O)CSc2nc(O)nnc2C)nc1C 15859738 MOCCPCQEDKPNEO-UHFFFAOYSA-N 369.428 1.558 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NC1CCCCC1 7984884 FNMZQVOFTAMALY-UHFFFAOYSA-N 369.443 1.310 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCCSc1ccccc1 8504492 HVKJPHXZOKSPOG-UHFFFAOYSA-N 350.469 1.907 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCc3ccc(CO)c(F)c3)CC2=O)cc1 83947463 ZPCIYTKPYXNJIJ-OAHLLOKOSA-N 372.396 1.996 0 40 FDAB O=C(CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCCC1 69896595 FXUAAIAYUNJGKB-SFHVURJKSA-N 371.481 1.785 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2csc(N)n2)cc1 95995819 VNXIIQGCPQJYLP-UHFFFAOYSA-N 371.440 1.211 0 40 FDAB Cc1nnc(CN(C)CC(=O)N2CCN(c3ccccc3F)CC2)n1C 75572894 CFEXXYOHJWDRJH-UHFFFAOYSA-N 360.437 1.043 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 408593961 QXEOMBKZYJJLDU-UHFFFAOYSA-N 362.407 1.692 0 40 FDAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306131024 JUXHHPAUOUKVFY-CQSZACIVSA-N 367.413 1.662 0 40 FDAB CC(C)OCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 409367302 QXFXDRMECGTRKY-UHFFFAOYSA-N 356.488 1.422 0 40 FDAB CCc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773650 DRIQJUHBHYQKGA-DLBZAZTESA-N 350.484 1.719 0 40 FDAB CN([C@@H](C(=O)N1CC(=O)Nc2ccccc21)c1ccccc1)S(C)(=O)=O 223678695 KEZFIEXZOYFKAW-QGZVFWFLSA-N 373.434 1.604 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2OC)ccc1O 40266239 FDXWBDDDBUXTFE-UHFFFAOYSA-N 372.377 1.485 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)C[C@@H](C)O1 195530637 FXOLBQXCYHZAPZ-MZYSHBQESA-N 351.443 1.497 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 138542339 UTARYTBRPUDTLC-TZUPDSNESA-N 366.417 1.907 0 40 FDAB CCCS(=O)(=O)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96226595 ZPCVUCAATLORDL-OAHLLOKOSA-N 358.439 1.027 0 40 FDAB CN1C(=O)N[C@@]2(CCN(C(=O)Nc3cc(C4(C)CCCC4)on3)C2)C1=O 578972665 BXHAMRUJDPVKJP-QGZVFWFLSA-N 361.402 1.664 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)no1 96113251 YJHKGXMBTYACOR-TZMCWYRMSA-N 362.430 1.009 0 40 FDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 96040072 FCPAWFVTCSZAEX-IRXDYDNUSA-N 352.456 1.824 0 40 FDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)cc1 583616239 YXPBMJNNDNVRRW-XLIONFOSSA-N 356.422 1.906 0 40 FDAB CS(=O)(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 96111666 UXJWZHYYQKOZHL-HOCLYGCPSA-N 373.434 1.410 0 40 FDAB biogenic,in-vitro O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 287108205 ARCFJNURGRIQFK-VIFPVBQESA-N 352.334 1.976 0 40 FDAB O=C(CN1CCN(c2ccc3ncnc(O)c3n2)CC1)NC1CCCCC1 641343789 RJZRSQAYMCPOCF-UHFFFAOYSA-N 370.457 1.301 0 40 FDAB O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)CCc1ccc(OC(F)F)cc1 643856093 UKGZFWZCKGVEOQ-LBPRGKRZSA-N 366.324 1.308 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)CCc2c[nH]c3c(C)cccc23)C1 644038088 BGMKNXIIRPFNMI-FQEVSTJZSA-N 357.454 1.899 0 40 FDAB OC[C@@H](O)[C@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]21 87492655 FMZUHGYZWYNSOA-DNDRQTMDSA-N 358.390 1.937 0 40 FDAB in-vitro Cc1ncn(CC(=O)N2CC[C@H](Oc3ccncc3Cl)C2)c(=O)c1C 575605869 NLXBQSZWUQZJRW-ZDUSSCGKSA-N 362.817 1.588 0 40 FDAB O=C(CCN1CCOCC1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585280781 OVVAMEHLAFITIP-AEFFLSMTSA-N 350.434 1.300 0 40 FDAB CCOC(=O)c1ccsc1NC(=O)CN1C=CC=C2OCC(=O)N=C21 75094658 RDFSFKCMWGZORX-UHFFFAOYSA-N 361.379 1.532 0 40 FDAB CC(=O)N1CCC(NS(=O)(=O)c2ccccc2Br)CC1 39979690 PDHPEFWTKMQMMR-UHFFFAOYSA-N 361.261 1.738 0 40 FDAB CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 96025325 HVDXXTGAGLZHCJ-SSDOTTSWSA-N 374.303 1.318 0 40 FDAB CCc1nnc(NC(=O)CSc2nnnn2Cc2ccccc2)s1 5000815 LHMVSIHLJZDUDH-UHFFFAOYSA-N 361.456 1.866 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 5060486 XSDLHLUFQXVWRC-AWEZNQCLSA-N 367.405 1.803 0 40 FDAB Cn1ccnc1N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 13693596 GEZKEJHLFNUADH-UHFFFAOYSA-N 367.409 1.036 0 40 FDAB Cc1cccc(OCCCNC(=O)Cn2nnc3ccccc3c2=O)c1 16278808 JLSDCJLRAIKQID-UHFFFAOYSA-N 352.394 1.685 0 40 FDAB CCn1c(CCC(N)=O)nnc1SCCN1C(=O)c2ccccc2C1=O 17993009 SJTHYLQELQOQSE-UHFFFAOYSA-N 373.438 1.104 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)N3CCC(CCN(C)C)CC3)n2)cc1 19655045 FEVMWSGBZVVMHT-UHFFFAOYSA-N 356.474 1.839 0 40 FDAB Cc1cnc(C(=O)N2CCO[C@@H](c3ccc(-c4cn[nH]c4)cn3)C2)cn1 19692616 NHDZPPKRTBMCGS-QGZVFWFLSA-N 350.382 1.784 0 40 FDAB COc1ccc(S(=O)(=O)N2CC(Cn3cc(Cl)cn3)C2)cc1OC 1848682273 GDLYEUHEJCSMIF-UHFFFAOYSA-N 371.846 1.874 0 40 FDAB COC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 6845873 GKKYBSUSAWCCKE-SECBINFHSA-N 354.208 1.254 0 40 FDAB CC(=O)NCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 11105811 IYQKNMHFOUHYPZ-UHFFFAOYSA-N 360.439 1.076 0 40 FDAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 24492259 GNPDFTKANDBGKE-UHFFFAOYSA-N 361.423 1.728 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)cc1Cl 238919775 SWFMTEMKEVFTLB-CYBMUJFWSA-N 358.851 1.943 0 40 FDAB CO[C@@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@@]12C[C@H](C)C(=O)O2 257550480 TZPKEJFBTXRNTK-UJAQHVGQSA-N 351.443 1.902 0 40 FDAB biogenic CCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518875 WQSHBLBTOBOSTN-HNNXBMFYSA-N 364.423 1.437 0 40 FDAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O 4940734 WOUIQXPFMNTFMK-NSHDSACASA-N 360.391 1.867 0 40 FDAB CCCc1cc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 38509578 WNWZXDUVPNBWBC-UHFFFAOYSA-N 358.417 1.684 0 40 FDAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1cccc2nsnc12 575617657 YYYCUXFQWIIVAV-LLVKDONJSA-N 352.445 1.286 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@H](O)c2cccs2)CC1 28965979 ASKJDMPGLHZYMB-AWEZNQCLSA-N 360.435 1.968 0 40 FDAB COc1ccc([C@H]2CC(O)=c3cc4c(cc3=N2)OCO4)c(OC)c1OC 101414418 HZIGYSSFHKDELH-GFCCVEGCSA-N 357.362 1.872 0 40 FDAB CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 32854319 NKRCMBSJOAZCAY-RDJZCZTQSA-N 360.410 1.375 0 40 FDAB NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 52640779 UMOFDFCFZVOYAB-MRXNPFEDSA-N 367.405 1.663 0 40 FDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc2c(c1)OCCO2 102740886 UJICSGUGBGSKCR-UHFFFAOYSA-N 355.354 1.481 0 40 FDAB O=C(CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)N1CCCCC1 23249055 IMSBLDRDDKTPPJ-UHFFFAOYSA-N 369.469 1.053 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 79477820 TXXILOJVFKUARG-UHFFFAOYSA-N 353.430 1.958 0 40 FDAB CC(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193236 KOZWJLFVLFOFHU-LLVKDONJSA-N 355.441 1.796 0 40 FDAB CCC[C@@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 3831299 IPVQLZZIHOAWMC-UYJHQMFVSA-N 368.474 1.941 0 40 FDAB CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccccc2F)C(=O)O)CC1 71285773 HCEYBVXCXCRFIW-CYBMUJFWSA-N 351.378 1.019 0 40 FDAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O 6395138 XINSSIWZHNUWKI-IKGGRYGDSA-N 353.378 1.575 0 40 FDAB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)N1CCOCC1 6971147 QYUAAFPARHVAJM-QINSGFPZSA-N 351.362 1.941 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC12CC3CC(CC(C3)C1)C2 106521190 BJDVPHHCCRQMCN-BJIWRLETSA-N 354.450 1.879 0 40 FDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H](C2)C3N2CCOCC2)cn1 100769066 UVZFODHDNVIDNR-GJZGRUSLSA-N 368.503 1.024 0 40 FDAB CC(=O)OC1CCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 89568467 FNJXTIOMAQKZFY-UHFFFAOYSA-N 373.384 1.848 0 40 FDAB COc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc2c1OCCO2 12733953 IGGUHWUHXOIKRU-UHFFFAOYSA-N 371.393 1.950 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 10200266 PQSPSEJMIHCJCD-CYBMUJFWSA-N 370.409 1.496 0 40 FDAB CCNC(=O)NC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58298096 BTQKOROAIPCPSO-UHFFFAOYSA-N 369.175 1.112 0 40 FDAB CN(C)C(=O)c1cccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 22510092 KHIDOZFMSAILST-UHFFFAOYSA-N 360.414 1.438 0 40 FDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O 48341489 JIXGGQNYMPVHJD-HNNXBMFYSA-N 361.793 1.047 0 40 FDAB COc1ccc(O)c(C(=O)c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 48375434 YYNJWQHDBFPVJN-INIZCTEOSA-N 350.396 1.362 0 40 FDAB Cc1cccc(N2C(=O)C[C@H](SC(=S)N3CCOCC3)C2=O)c1 2283501 BWXYLVUKYUBYFP-ZDUSSCGKSA-N 350.465 1.977 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(N2CCNC2=O)c1 45764962 WRIXXFXIWBMBSM-OAHLLOKOSA-N 353.378 1.786 0 40 FDAB CC(=O)N[C@H](CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(C)cc1 11546304 WCZJTLPXFCDDRZ-GOSISDBHSA-N 367.453 1.701 0 40 FDAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1C 20169521 FIWGKSXLYLOXTG-ZDUSSCGKSA-N 362.455 1.906 0 40 FDAB CN(C)CCn1ccc(-c2nc(C(=O)NCCCCO)c3ccccn23)c1 306132725 LQLUJVGUWYDTNR-UHFFFAOYSA-N 369.469 1.867 0 40 FDAB CN(C[C@H](O)CN1CCOCC1)C(=O)c1csc(-c2ccoc2)n1 95409244 RUKLZGVAQALMNK-ZDUSSCGKSA-N 351.428 1.168 0 40 FDAB CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)C1=O 14139849 XNLMLFVOKIPXNH-UHFFFAOYSA-N 372.469 1.441 0 40 FDAB COC(=O)CNC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14171685 MAIRECJMWBGPNP-QPJJXVBHSA-N 350.375 1.496 0 40 FDAB CN(Cc1ccsc1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 14152943 MHTQYXDCUALDBK-UHFFFAOYSA-N 373.356 1.686 0 40 FDAB CCN(CC)CCn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 6760794 IMXKCLCEGICNKJ-UHFFFAOYSA-N 365.499 1.955 0 40 FDAB CN(C)c1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 6983803 JIVRMKSYWLVYRN-MRXNPFEDSA-N 370.405 1.866 0 40 FDAB NS(=O)(=O)c1ccc(OCCOC(=O)COc2ccccc2F)cc1 7272044 KDXAWTFMGPSRGS-UHFFFAOYSA-N 369.370 1.474 0 40 FDAB NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 9483630 NBIVIGOWDSGLDH-CYBMUJFWSA-N 369.343 1.535 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc3[nH]nnc3c2)c1 75104654 XGQBJJOPVJKSNK-UHFFFAOYSA-N 352.354 1.285 0 40 FDAB COc1cccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 8328351 MOKNSEZEALGEAG-UHFFFAOYSA-N 353.378 1.405 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 8405171 QBNKATGUCHERND-UHFFFAOYSA-N 372.406 1.104 0 40 FDAB COc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC 18023649 IVGBGDDYDGKCIV-UHFFFAOYSA-N 361.398 1.849 0 40 FDAB COc1ccc(OC[C@H](O)CN(C)CC(=O)NCC(F)(F)F)cc1 69927392 DHFBGUZDAAQTDF-LLVKDONJSA-N 350.337 1.045 0 40 FDAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)NC1CC1 8707903 ZWIYTTNUTVVQPK-UHFFFAOYSA-N 359.455 1.475 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 306142460 WZQNIQCDWUDFPX-BZUAXINKSA-N 358.467 1.723 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)N[C@@H](CCO)C1CCOCC1 95943069 MPQZUZQYDDFOHM-HNNXBMFYSA-N 354.834 1.364 0 40 FDAB CC(C)[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)N1CCc2sccc2C1 84408978 IIVQJYZNIIJNTO-WBMJQRKESA-N 364.467 1.727 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](c2ccsc2)c2ccco2)C(=O)C1=O 669570562 PQADAZTTXCIJMQ-ZDUSSCGKSA-N 361.423 1.873 0 40 FDAB O=C(NCCCN1CCOCC1)c1nc(-c2ccc3[nH]ccc3c2)no1 20713688 GROOBPOFVYWOLS-UHFFFAOYSA-N 355.398 1.670 0 40 FDAB O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCO[C@@H](CO)C1 533196145 PAUUWEMFVLCVLM-OAHLLOKOSA-N 356.378 1.202 0 40 FDAB CC(C)[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)n1c(O)nc2ccccc2c1=O 6907221 JWBFBOBAOJUPJV-KGLIPLIRSA-N 361.398 1.525 0 40 FDAB biogenic CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(N(C)C)cc1 71980245 VYDIAYPOJSBQOX-MRXNPFEDSA-N 361.442 1.490 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCOC)cc1C 39986231 QPPFXXGREZCRHF-UHFFFAOYSA-N 372.487 1.557 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccs2)cc1 40161107 RMYURXBYOGOSTK-NSHDSACASA-N 366.464 1.934 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCC(N2CC[C@H](O)C2)CC1 96099716 MCVHTQWPHLKLSF-NSHDSACASA-N 350.893 1.621 0 40 FDAB CC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)nn1 583064733 HHTYWVAQUQAZAP-OAHLLOKOSA-N 356.382 1.616 0 40 FDAB CO[C@@H]1CCN(S(=O)(=O)C2CC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96215667 LFYQJTGFKHUCMV-GVDBMIGSSA-N 351.472 1.095 0 40 FDAB O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1occ2c1CCC2 585081808 GRVYHPYMOQGNMS-UHFFFAOYSA-N 359.470 1.833 0 40 FDAB CC(C)n1nccc1-c1cnc([C@H]2CCCN2S(=O)(=O)N(C)C)cn1 257278688 ODFZGPNJQVGLCY-OAHLLOKOSA-N 364.475 1.864 0 40 FDAB CN1CCC(Cc2cccc(F)c2)(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 257299868 RRZQQELMDGIXMY-INIZCTEOSA-N 368.474 1.384 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccc(Cl)cc32)C1 629193506 YHURRHOHPHJNLR-ZDUSSCGKSA-N 362.817 1.177 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cnc3ccc(Cl)cn23)C1 643754919 HLCAORHAZWUOHV-QGZVFWFLSA-N 350.850 1.793 0 40 FDAB Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](N)[C@H](c2ccnn2C)C1 1615589001 FJRPZVHSCNHTSC-HZPDHXFCSA-N 365.437 1.879 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)ccc1N1CCNC1=O 679318140 CUPSQNQKZNMKGQ-AWEZNQCLSA-N 357.370 1.121 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2ccc(N(C)C)cc2)c1 90746402 GHBZGYQEPVMNKS-SFHVURJKSA-N 362.451 1.967 0 40 FDAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCO)cc2)cc1 585262587 XOZBFIYLRNJINB-KRWDZBQOSA-N 361.438 1.938 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCn3cc(C(=O)N(C)C)nc3[C@H]2C)cc1 585096382 LBICSZAJVBOBJK-CYBMUJFWSA-N 362.455 1.659 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635401 KHYZUHZIALKLTC-ZDUSSCGKSA-N 370.327 1.754 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099782 LGNIAJPYOPZFQG-IYBDPMFKSA-N 355.394 1.925 0 40 FDAB CCc1c(C)sc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1C(=O)OC 11851758 NNZMFQKHLIFUGW-QMMMGPOBSA-N 355.441 1.900 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 12155802 VXZMFBNIKNUAKN-OAHLLOKOSA-N 366.421 1.012 0 40 FDAB COc1ccc(C)cc1CC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 12360955 UTRAIDBFEGWEGD-MRXNPFEDSA-N 368.499 1.123 0 40 FDAB COCCCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585661 UBYJKPFTNNSFLH-UHFFFAOYSA-N 358.441 1.040 0 40 FDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)cc1 16956195 GUUDOTMZFWVNLR-WDZFZDKYSA-N 361.448 1.860 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19347351 LAUXZNOUUDXWEJ-HUUCEWRRSA-N 359.451 1.771 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19500765 HSGRKWCSKYMMPD-ZKNHNOBHSA-N 374.437 1.673 0 40 FDAB COc1cccc(C(=O)N2CCC[C@@H](c3nnc4n3CCNCC4)C2)c1 19709265 YRAODNXYHTVAGV-OAHLLOKOSA-N 355.442 1.452 0 40 FDAB CC1CCN(c2ncc(CN3CCC4(CC3)NC(=O)N(C)C4=O)cn2)CC1 19715746 BTJLOGBRNQHZKD-UHFFFAOYSA-N 372.473 1.229 0 40 FDAB C[S@](=O)C1(CNC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)CC1 503365800 UCQSATBHZLWCQL-MPWRYGINSA-N 358.410 1.693 0 40 FDAB Cc1ncn(CC(=O)N2CC[C@H](COc3ccc(F)cn3)C2)c(=O)c1C 1889136304 CMQBSGBCRTVXSK-AWEZNQCLSA-N 360.389 1.322 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1 21302522 ZTNNTHLFMMFICN-UHFFFAOYSA-N 357.410 1.507 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 239274936 AYUOOUUEVWCLKN-SSZWKKLZSA-N 350.367 1.989 0 40 FDAB biogenic Cc1nocc1C(=O)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978237 KCFJNGSANXAZSZ-LJQANCHMSA-N 355.394 1.879 0 40 FDAB O=C(N1CCC[C@]2(COCCN(c3nncs3)C2)C1)C1(F)CCC1 1565546213 WRUKAANKOSVZGF-HNNXBMFYSA-N 354.451 1.876 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551446 FJZHHVJBAIYIRV-LPHOPBHVSA-N 371.416 1.815 0 40 FDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CC2CCOCC2)C1 2055746532 VZXSGQBVTOQKQA-LJQANCHMSA-N 363.433 1.771 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccncn2)CC1 2055732578 PYSJARPYFLVUMH-UHFFFAOYSA-N 357.389 1.449 0 40 FDAB Cc1ccc(OCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nn1 1775965509 APLHUFBBAWPVGU-UHFFFAOYSA-N 366.443 1.870 0 40 FDAB Cc1nnsc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38947020 XUOCHQXDGWTZQM-RYUDHWBXSA-N 362.480 1.996 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc2c(cc1=O)CCC2 585412614 KHPXYWDOGMOFNM-AWEZNQCLSA-N 353.426 1.037 0 40 FDAB COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)Cn2ccnc2)C(C)C)cc1 40092456 BHLFKDNAOCUVEG-RHSMWYFYSA-N 358.442 1.851 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCc2ccccc21 40159177 ZGIVEXCCURDKMD-ZDUSSCGKSA-N 373.409 1.230 0 40 FDAB Cn1ncc2c(NCCCO)nc(NCc3ccc4c(c3)OCO4)nc21 32123887 PDLKEBOELNBCGD-UHFFFAOYSA-N 356.386 1.498 0 40 FDAB biogenic Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)[nH]c2c1C(=O)CC(C)(C)C2 32674411 ZJDLWJGZGPUVLV-QGZVFWFLSA-N 352.456 1.785 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC1CCCCCC1 32777716 CTULZSXBOAXOGS-NSHDSACASA-N 373.500 1.903 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 32802702 BXNQRSZLJBSEEZ-CQSZACIVSA-N 366.462 1.612 0 40 FDAB CCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 41246530 LVBHVOXBYYRDPR-UHFFFAOYSA-N 354.428 1.303 0 40 FDAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 102910999 BGTNXKAUOOUMPG-OKZBNKHCSA-N 360.479 1.873 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1COc2ccccc2C1 53044619 PSADOIIXSSPBBD-AWEZNQCLSA-N 365.389 1.200 0 40 FDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 53202873 JWFUGAMKFKDINO-JTQLQIEISA-N 351.241 1.961 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 810054 IKPBYWHPDKYRME-HNNXBMFYSA-N 352.456 1.255 0 40 FDAB COC(=O)c1c(NC(=O)C[C@@H]2SC3=NCCN3C2=O)sc(C)c1C 61719707 YOGLGPYMMLAKAN-VIFPVBQESA-N 367.452 1.794 0 40 FDAB C[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 12538856 JREGFBZDOKQANM-CYBMUJFWSA-N 359.451 1.401 0 40 FDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)CCOc1ccc(F)cc1 78824481 KPMGHQWFHRGGJY-UHFFFAOYSA-N 366.414 1.916 0 40 FDAB Cn1c(=O)cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc21 79501805 UKYBQJJHCXNKOQ-UHFFFAOYSA-N 361.405 1.944 0 40 FDAB CCOc1ccccc1NC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 12525364 ZYZVGXLTCNJISJ-NSHDSACASA-N 371.397 1.032 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2OC)s1 6817845 BKPBEIMJEJVQPD-UHFFFAOYSA-N 370.456 1.830 0 40 FDAB CCN1C(=O)/C(=C\c2ccc(OC)c(CN3CCOCC3)c2)NC1=S 6951389 JVITZGLOTZPOSM-RVDMUPIBSA-N 361.467 1.605 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccn1 7099779 XYILXHDAGGHEKM-UHFFFAOYSA-N 353.426 1.222 0 40 FDAB COc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 3270144 IAOSKXPLNLYPIH-FNORWQNLSA-N 354.410 1.856 0 40 FDAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1C(F)(F)F 58194919 OPQYOKHBBDPEKN-UHFFFAOYSA-N 350.362 1.915 0 40 FDAB CS(=O)(=O)Nc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 12670231 SNVACLJBGQLGLK-UHFFFAOYSA-N 358.423 1.678 0 40 FDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(CN2C(=O)CNC2=O)c1 25454563 PKHSDKPKCBYUEE-UHFFFAOYSA-N 365.349 1.160 0 40 FDAB COC(=O)c1cccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 48287687 BWOBFBAXYBLAEV-UHFFFAOYSA-N 359.367 1.250 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)ccc1Cl 102203620 UYDPARPIQSFIMZ-NZBPQXDJSA-N 364.785 1.221 0 40 FDAB CC(=O)NCCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12784116 QXSSIDQKWVIEEK-UHFFFAOYSA-N 367.471 1.004 0 40 FDAB CS(=O)(=O)c1ccc(-n2nnnc2CN2CCc3ccccc32)cc1 58162246 MRLBJTRILAPRDA-UHFFFAOYSA-N 355.423 1.629 0 40 FDAB CS(=O)(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58193652 WAMZYZCRVGXSSR-ZDUSSCGKSA-N 352.378 1.628 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cncn2)cc1 10392674 JWZKXUCWUZLEQF-UHFFFAOYSA-N 374.404 1.835 0 40 FDAB CC(C)Cn1c(NCCCOC(C)C)nc2c1c(=O)n(C)c(=O)n2C 12232579 QPXZPIXJMWETFF-UHFFFAOYSA-N 351.451 1.317 0 40 FDAB C[C@H]1CCCCN1CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12907713 BJOLMTUPOLLNBJ-HNNXBMFYSA-N 367.515 1.931 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1ccccc1F 12916577 UOGCTOITLWDPAE-UHFFFAOYSA-N 356.405 1.754 0 40 FDAB Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20047599 HJYARKHHQXTUET-HNNXBMFYSA-N 369.487 1.008 0 40 FDAB CC(C)N(CCCNC(=O)NCc1ccnc(N(C)C)c1)S(C)(=O)=O 49152815 JSTNUYXVYVYJKJ-UHFFFAOYSA-N 371.507 1.007 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000070 XIUKDPOTDWQKLI-UHFFFAOYSA-N 369.377 1.356 0 40 FDAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)s1 14138020 WMRBOAJTMOMQAX-UHFFFAOYSA-N 350.418 1.013 0 40 FDAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)cc1 6439048 UXGKJQMOCUMQQE-AWEZNQCLSA-N 371.393 1.184 0 40 FDAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NC(C)C)CCS3 5451686 MTPMRROYHVPPLF-UHFFFAOYSA-N 372.450 1.990 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(N2CCCC2=O)c1 6987917 KUIUJTOFMHAEJA-ZDUSSCGKSA-N 350.444 1.542 0 40 FDAB COc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N 4971797 PJYXEGOTAYVRQR-UHFFFAOYSA-N 370.369 1.031 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccncc3)cc2)C1=O 15843102 LEQHXZWOPLKKEU-UHFFFAOYSA-N 373.434 1.714 0 40 FDAB CCCc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)[nH]n1 84758831 MDLCNCFHKMMNLA-UHFFFAOYSA-N 360.418 1.055 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(C)s1 91045283 GXKMPLMIKITAML-NSHDSACASA-N 356.473 1.916 0 40 FDAB CCN1CCN(Cc2ccccc2CNC(=O)NC2CCN(C)CC2)CC1 71923101 JRDVAJPTKLVJAA-UHFFFAOYSA-N 373.545 1.718 0 40 FDAB Cc1nc(-c2ccc(NC(=O)N[C@H](C)CN3CCCC3=O)cc2)cc(=O)[nH]1 69741213 KADRAEOXDGMPDA-GFCCVEGCSA-N 369.425 1.878 0 40 FDAB CC(C)OCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230732 CNNCDFHOQWGYLX-UHFFFAOYSA-N 358.460 1.393 0 40 FDAB O=C(Cn1nccc1C(=O)NCCO)Nc1ccc(Br)cc1 95941863 IEAGMTXQQNEZDI-UHFFFAOYSA-N 367.203 1.006 0 40 FDAB COc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1S(=O)(=O)N(C)C 89583263 PQFRAYCYTSLVEA-UHFFFAOYSA-N 365.411 1.195 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)C3CCOCC3)CCC2=O)cc1C 89830821 UOJYSFVUKQDDKW-PKOBYXMFSA-N 374.481 1.950 0 40 FDAB COCCNc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccccc1)C2 1548338386 XAOGMNOPILXCNC-LLVKDONJSA-N 371.397 1.380 0 40 FDAB CCC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408706272 YZJKIHXCHYPJER-LBPRGKRZSA-N 356.444 1.876 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 407948280 IJFLPTDNWWXARO-LBPRGKRZSA-N 369.443 1.278 0 40 FDAB CCS(=O)(=O)c1cccc(C(=O)N2CCNC[C@H]2c2nccn2C)c1 517126046 FQHUTFJYMPAQQD-HNNXBMFYSA-N 362.455 1.000 0 40 FDAB Cc1ccccc1[C@H]1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CCS1 219268895 HVIYUOORXMAJJB-MRXNPFEDSA-N 373.478 1.942 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 32330213 DXBFGZJLSJPNMD-OAHLLOKOSA-N 371.368 1.934 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)Cc3cccs3)n2)n1 75162988 LCOBOAPNARCUME-UHFFFAOYSA-N 357.439 1.466 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 34857769 DYWUIILZJVRVLE-CYBMUJFWSA-N 373.906 1.561 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(O)cc1 32093515 ZWKGHNOEAVHKHC-GFCCVEGCSA-N 371.368 1.639 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 32641344 DDXOLTLYXSKTTC-BXUZGUMPSA-N 373.858 1.460 0 40 FDAB Cc1n[nH]c(Cc2ccc(NC(=O)CCc3cc4n(n3)CCNC4)cc2)n1 72418838 RIACNXDJTNUXRB-UHFFFAOYSA-N 365.441 1.575 0 40 FDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)Cc1ccc(Cl)cc1 71980092 GXQGXLJRMMMTST-CQSZACIVSA-N 352.818 1.616 0 40 FDAB CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)[C@H]1CCn2cncc2C1 329967319 WBXDKKJCUNVHNV-BQFCYCMXSA-N 374.464 1.250 0 40 FDAB O=C(c1ccc(F)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224328639 OBFXVQFNMPDANX-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)Cn2cnc3ccccc32)n[nH]1 225551906 WGRKKFWJOIUAKY-MRXNPFEDSA-N 352.398 1.612 0 40 FDAB CC[C@H](C)[C@H](OC)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 331673818 QVNZDLUQOKYRKE-WDSOQIARSA-N 373.497 1.997 0 40 FDAB COc1c(C(=O)NCCCn2nc(C)cc2C)nnn1Cc1ccccc1 96183436 NASSBDJSTLFKSM-UHFFFAOYSA-N 368.441 1.968 0 40 FDAB Cc1cc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)c(C)o1 96255732 XOSCBMQPZFNPFB-UHFFFAOYSA-N 356.426 1.764 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@@H](COCc1ccccn1)C2 96106190 SEVLNQFBGOENQX-MRXNPFEDSA-N 354.472 1.819 0 40 FDAB Cc1occc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1 96225617 IZNPGQGLHVSWCQ-SCLBCKFNSA-N 361.398 1.244 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96226150 MLOWKPLVVAURAH-LJQANCHMSA-N 372.425 1.503 0 40 FDAB C[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)c1nnc2ccccn12 95479058 HRNHNOOOIVNERE-LBPRGKRZSA-N 364.365 1.423 0 40 FDAB Cc1ccc(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C 244325751 XKZYEOIZBITFSS-OAHLLOKOSA-N 374.528 1.043 0 40 FDAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 585081903 XEHYLLPJIVEKOJ-INIZCTEOSA-N 370.453 1.687 0 40 FDAB COCCOc1cc(C(=O)NCc2cccnc2N2CCOCC2)ccn1 253471549 DFNPNGCQADDVMD-UHFFFAOYSA-N 372.425 1.268 0 40 FDAB Cc1n[nH]cc1-c1cnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)cn1 257294695 QVHQHYSMTCVHLE-LBPRGKRZSA-N 350.448 1.161 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCOC[C@@H]2CCc2cnccn2)n1 257335371 YJWRTXSESOOEGX-HNNXBMFYSA-N 359.430 1.776 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257283226 OXIMOCXVTQAQCE-GFCCVEGCSA-N 361.423 1.666 0 40 FDAB COc1ccc(C(=O)N2CC3(CN(C)C[C@@H]3c3n[nH]c(C)n3)C2)cc1F 1775958358 UGGUXCNCUOJHHU-CYBMUJFWSA-N 359.405 1.432 0 40 FDAB Cc1noc(C2(C)CCN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)CC2)n1 613378376 XCYJFCKVFAIHCW-JTQLQIEISA-N 370.417 1.241 0 40 FDAB C[C@H](C(=O)N1CCOc2cccc(F)c2C1)n1cnc2c(N)ncnc21 614529163 WOXICWDPUGUFMH-SNVBAGLBSA-N 356.361 1.530 0 40 FDAB COCCc1ccc(S(=O)(=O)N2CCC[C@]2(COC)C(=O)O)cc1 647927445 ONOXBWWQBNQCKB-INIZCTEOSA-N 357.428 1.130 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCC1(F)F 673380004 LPNNKKOWCMBTFW-CABZTGNLSA-N 350.362 1.797 0 40 FDAB O=C(CN1CCN(Cc2cnc3ccnn3c2)CC1)Nc1ccccc1F 677380085 SHRUUPNQCQZATD-UHFFFAOYSA-N 368.416 1.625 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccc(OC)cc3)C2)CN1CC1CC1 585109525 VZFIGVOYVHGMDD-SFHVURJKSA-N 359.470 1.106 0 40 FDAB O=S(=O)(c1ccccc1F)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585094011 ZKSCQLIAKHHTPN-CQSZACIVSA-N 354.447 1.293 0 40 FDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@H](CO)C1 585283398 OAMRUHSJEPDYAG-SESVDKBCSA-N 360.498 1.848 0 40 FDAB CCn1cc(C(=O)N2CCOC[C@@](O)(CC(=O)NC)C2)c2ccccc21 585281169 UNAMAFPCYGITEE-LJQANCHMSA-N 359.426 1.001 0 40 FDAB Cc1cccc(OCCC(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1 685942705 MLGBUIGJVAKFBD-ZMSDIMECSA-N 358.442 1.563 0 40 FDAB O=C1CC[C@@H](C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)N1 1776000461 GAWHWWJGZYEQTJ-HNNXBMFYSA-N 358.442 1.640 0 40 FDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)C(=O)c1ccc2c(c1)CCC2 58415301 RGTMMUNRZPEDDD-QGZVFWFLSA-N 350.422 1.933 0 40 FDAB Cc1cccc(C(=O)N2CCCCCCCOC[C@@H](O)[C@@H](O)CC2)n1 1615162520 YLZSAUSCBIBHHF-ZWKOTPCHSA-N 350.459 1.925 0 40 FDAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 5083283 JLOYAZLDLGCESI-UHFFFAOYSA-N 369.425 1.713 0 40 FDAB O=CN1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2F)CC3=O)CC1 5274306 JXPYUCWGGICQIS-CYBMUJFWSA-N 354.385 1.807 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 13583612 MVVRECSWYQVSNV-LOUJCGABSA-N 354.786 1.726 0 40 FDAB CN(C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 25331919 HZSOEEBXKYAAGD-AWEZNQCLSA-N 359.517 1.139 0 40 FDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1 4884325 LVTCIJKDSNFSEE-UHFFFAOYSA-N 361.379 1.777 0 40 FDAB COc1ccc(CN2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)c(C)c1 2037983980 MVKYGQWCKFLMLQ-FQEVSTJZSA-N 362.470 1.842 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(Cc4ccnn4C)C3)C2)c1 2056224494 KOSFOSJJMOLJMA-IBGZPJMESA-N 356.474 1.672 0 40 FDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@@H]21 1565545295 CRQLOJAKGGCKMB-ZWKOTPCHSA-N 364.465 1.017 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)n[nH]1 1565555769 HBNDAYKOEIIESQ-WMLDXEAASA-N 358.398 1.178 0 40 FDAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(OC)c1 4249490 HAEJNEIXENJRPO-SNVBAGLBSA-N 371.397 1.228 0 40 FDAB O=C(COc1ccccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 13700328 RGDRNVXUDVZQPP-UHFFFAOYSA-N 372.816 1.505 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275731 BUDRYZLPDOBIFZ-UHFFFAOYSA-N 353.425 1.350 0 40 FDAB CN1C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NN(Cc3ccccc3)[C@H]2C1=O 100496361 QXNNOGSBWVQXDF-IEBWSBKVSA-N 362.433 1.956 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCS(=O)(=O)C1CCCC1 40142395 NPPXJOLMTGTQFQ-UHFFFAOYSA-N 363.443 1.657 0 40 FDAB O=C(NCCCN1CCN(c2ncccn2)CC1)NCc1ccc(F)cc1 31038757 APVWNVNOCICBQQ-UHFFFAOYSA-N 372.448 1.627 0 40 FDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn12 32093134 ZVFUVTKGBFHXKL-INIZCTEOSA-N 350.426 1.966 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716737 SCCMJYHISLSFQK-MAUKXSAKSA-N 359.470 1.960 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)CCN2C(=O)C(=O)N(C3CC3)C2=O)c1 32865424 GXDNATDZMDFXBV-UHFFFAOYSA-N 350.396 1.030 0 40 FDAB O=C(N1CCOCC1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 22328462 CJEUWOFMIPCWFS-UHFFFAOYSA-N 365.405 1.262 0 40 FDAB O=C(CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1)NC1CC1 23247980 BRJPQBCZYLUEGE-UHFFFAOYSA-N 358.417 1.877 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1 956282 HTWBLGWKTKTFNZ-CYBMUJFWSA-N 361.358 1.161 0 40 FDAB CCn1cnc2c1c(=O)n(Cc1cc(C)no1)c(=O)n2Cc1ccccc1 12547319 QDANUJLWYSHPGW-UHFFFAOYSA-N 365.393 1.773 0 40 FDAB CCCCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C 4093410 BCWAESBWZTVYMK-UHFFFAOYSA-N 359.455 1.921 0 40 FDAB COc1cc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccn1 12539515 QJZGAFHBEKPFEC-UHFFFAOYSA-N 352.394 1.966 0 40 FDAB CC(C)CCOc1cccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 4399787 KDGHZXOHCWNIHM-CQSZACIVSA-N 355.456 1.794 0 40 FDAB O=c1cc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccc(Cl)cn12 106174713 ZEYDRYOUXGOAMK-CYBMUJFWSA-N 358.833 1.852 0 40 FDAB CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6345272 VXCHLJXVYUQXBZ-GFCCVEGCSA-N 362.879 1.938 0 40 FDAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(Cl)cn1 7982129 DDFGPGIHGKCBPV-UHFFFAOYSA-N 355.803 1.839 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2nnc(C3CC3)s2)cc1 43359499 WBXVUHFJMAEKDF-UHFFFAOYSA-N 367.456 1.427 0 40 FDAB CCCn1nc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)ccc1=O 57277847 ATIHBDQSCDEFRO-INIZCTEOSA-N 356.426 1.603 0 40 FDAB CN1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](c2ccccc2)C1 48276339 ITXJGLBSXMLBMY-QGZVFWFLSA-N 356.426 1.594 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 108696571 LYNKFGMKLXXCNN-MSOLQXFVSA-N 357.454 1.666 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)CCNC(=O)C2CCCC2)ccn1 48239167 MSHWVRMGYIQAAN-UHFFFAOYSA-N 355.442 1.888 0 40 FDAB COc1ccc(NC(=O)c2ccc[nH]c2=O)cc1OCC(=O)NC1CC1 58173670 LVISUMLAZZRRQM-UHFFFAOYSA-N 357.366 1.293 0 40 FDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58214739 YULBSDZYFZGPCJ-ZDUSSCGKSA-N 352.456 1.626 0 40 FDAB COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c(OC)c1OC 3313204 HFXGEOYNUOSXAN-UHFFFAOYSA-N 356.334 1.848 0 40 FDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 3359826 GZWKNZFLCDPTBP-UHFFFAOYSA-N 353.382 1.674 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)N[C@@H]1CCCc2ccccc21 3338354 DSJNUKBIGLZIJD-RDTXWAMCSA-N 359.451 1.608 0 40 FDAB COc1cc(C(=O)OCC(=O)NCC(F)(F)F)cc(OC)c1OC 3329811 DLFMQLFGLVWTCF-UHFFFAOYSA-N 351.277 1.548 0 40 FDAB Cc1cc(NC(=O)CSc2ccccn2)n([C@@H]2CCS(=O)(=O)C2)n1 10555331 BKSCVKTWKOUUSG-GFCCVEGCSA-N 366.468 1.677 0 40 FDAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 3455540 YUVPCKZBYLOHKR-UHFFFAOYSA-N 368.850 1.639 0 40 FDAB COCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 28202493 DECOHJOEPVQAKO-UHFFFAOYSA-N 368.499 1.947 0 40 FDAB NC(=O)c1cnc(C(=O)NCCc2nnc(-c3ccccc3)o2)c(Cl)c1 95432811 GNOOMIHUVXVTCQ-UHFFFAOYSA-N 371.784 1.856 0 40 FDAB CC(C)(CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N1CCOCC1 12912058 DDLKTWMFSUCVPP-UHFFFAOYSA-N 358.442 1.083 0 40 FDAB COC(=O)c1ccc(F)c(COc2cccc(C(=O)NCC(N)=O)c2)c1 96004415 RSOCHPHJSXUFKH-UHFFFAOYSA-N 360.341 1.406 0 40 FDAB O=C(COc1ccccc1C(=O)O)NCCc1ccc2c(c1)OCCO2 13411513 YKJRCTPONOXVAC-UHFFFAOYSA-N 357.362 1.894 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)cc1 96000566 HHFRKPQUUVHQMO-AWEZNQCLSA-N 367.427 1.964 0 40 FDAB COc1cccc(C[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C)C2CC2)c1 95461200 XXNKORGVKNVUCH-MRXNPFEDSA-N 356.426 1.813 0 40 FDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(CCO)cc2)cs1 13691666 XUJNFYUEZBXBGB-UHFFFAOYSA-N 355.441 1.231 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 5023870 PPXUCTCQESXFSN-MRXNPFEDSA-N 363.757 1.123 0 40 FDAB CCn1c(C)c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 4314463 CYNBMIMAZFPJJG-UHFFFAOYSA-N 372.473 1.272 0 40 FDAB C[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)S(N)(=O)=O 95454130 PHVQCTICACMATN-VIFPVBQESA-N 352.437 1.714 0 40 FDAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1COc2ccccc2O1 14167871 IVDIHBAIFAAIKI-HNNXBMFYSA-N 355.394 1.496 0 40 FDAB O=C([C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1)N1CCOCC1 14165699 AZPGMGYOIPPOKS-GFCCVEGCSA-N 374.409 1.224 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NC2CC2)CC1 6426397 LEMGYOKJSWTOLQ-UHFFFAOYSA-N 352.456 1.683 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)c1 95469434 DGXSHVCFBVVTFL-AWEZNQCLSA-N 365.411 1.733 0 40 FDAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CCCC1 7134642 ZPLFFZQQLHCMOF-LLVKDONJSA-N 357.501 1.871 0 40 FDAB Cc1cc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)no1 7565895 QZVFDBNLAPLEJJ-UHFFFAOYSA-N 357.366 1.583 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)CC2)cc1 7752249 RSIYHIJFVYBKDX-UHFFFAOYSA-N 365.499 1.314 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(CC(N)=O)n2)cc1 8042262 ZJBDUCLVNKJXAL-UHFFFAOYSA-N 353.469 1.868 0 40 FDAB CN(c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1)S(C)(=O)=O 16684585 OONKLUZUCSDUNK-UHFFFAOYSA-N 373.481 1.129 0 40 FDAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1 8359845 PPLWFYISTUSBHH-CYBMUJFWSA-N 364.423 1.792 0 40 FDAB COc1ccc(NC(=O)N[C@@H](C)CN2CCCC2=O)cc1N1CCCC1=O 69434353 WGSRNPBBNQBNDG-ZDUSSCGKSA-N 374.441 1.954 0 40 FDAB CC(C)[C@H](OC(=O)CCCc1nc(-c2ccccc2)no1)C(=O)NC(N)=O 17278145 LGUNGRWMWIGKNA-HNNXBMFYSA-N 374.397 1.822 0 40 FDAB COc1ccc(CNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1OC 18168749 JHHCBSDNQUSNGT-UHFFFAOYSA-N 358.394 1.907 0 40 FDAB biogenic C[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8744024 LEHWZWOVTNARTB-LBPRGKRZSA-N 373.482 1.253 0 40 FDAB COCCN1C[C@H](C(=O)OCC2CCN(Cc3ccco3)CC2)CC1=O 89414123 LRCYEDALJUCBPA-MRXNPFEDSA-N 364.442 1.530 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)OCc2cnn(-c3ccccc3)c2)CC1 21933258 QOOXUOJPAYOORF-UHFFFAOYSA-N 363.439 1.587 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCOCC1 25970080 JTUZHHQMBIUKQT-UHFFFAOYSA-N 364.423 1.539 0 40 FDAB Cc1oc(-c2ccccc2)c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1C 547710911 HDIKOLIRIQKTRA-CQSZACIVSA-N 353.378 1.940 0 40 FDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 306124522 BSOIGMKYBJTRHI-CYBMUJFWSA-N 362.459 1.099 0 40 FDAB CN1CCC(NC(=O)CCn2c(=O)cc(C(F)F)c3cn(C)nc32)CC1 36621498 FHLXSBHMXVYOJL-UHFFFAOYSA-N 367.400 1.273 0 40 FDAB CCOC(=O)[C@H](CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC=O 38601528 KFHAYIBPFYQHFZ-LBPRGKRZSA-N 359.419 1.354 0 40 FDAB in-vitro O=C(C1c2ccccc2Oc2ccccc21)N1CC2(C[C@H](O)CNC2=O)C1 1528991795 FGLMGIWTWGDCSU-ZDUSSCGKSA-N 364.401 1.634 0 40 FDAB Cn1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1=O 1556542395 HZNBGOJIRVQVMT-UHFFFAOYSA-N 357.801 1.796 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O 218070167 FXSULYGGDBZGQW-UONOGXRCSA-N 370.423 1.318 0 40 FDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 223863660 HIYPASSVHISCFB-UHFFFAOYSA-N 363.391 1.989 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NCc2c3c(nn2C)CCC3)cc1 225819295 VOCJJPVAKYECJE-UHFFFAOYSA-N 364.427 1.566 0 40 FDAB COc1ccc(CCNC(=O)N2CC[C@@H](Oc3cncc(OC)n3)C2)cc1 225396090 YATKRKHTKNOTLQ-MRXNPFEDSA-N 372.425 1.899 0 40 FDAB Cn1cc(CN2Cc3nccn3C[C@H](COCc3ccccn3)C2)cn1 96059161 VOOLMSBANTWXCJ-QGZVFWFLSA-N 352.442 1.860 0 40 FDAB O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1)N1CCCC1 96243683 KKGYFHDEJNDEKM-QGZVFWFLSA-N 370.453 1.989 0 40 FDAB CC(C)NC(=O)N1CCN(Cc2cccs2)C[C@]2(CC(=O)N(C)C2)C1 97952757 PMYRZVNWOZWPNV-GOSISDBHSA-N 364.515 1.832 0 40 FDAB COc1ccccc1OCCN1C[C@@H](C(=O)NCc2cccnc2)CC1=O 96232606 KRKRFGJSVAREAO-INIZCTEOSA-N 369.421 1.634 0 40 FDAB COC[C@H]1CN(Cc2ccco2)CC12CCN(S(=O)(=O)N(C)C)CC2 247920767 CFHDWCARKKEYDJ-OAHLLOKOSA-N 371.503 1.246 0 40 FDAB O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 247804983 AFJDHMNJEOQXRK-OAHLLOKOSA-N 366.425 1.969 0 40 FDAB CCN1CCC(C(=O)N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)CC1 253601220 MNPKNGOQYOOPOT-KRWDZBQOSA-N 374.485 1.656 0 40 FDAB CC(C)n1nccc1-c1cncc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257331401 XSRSWGRYYHJGOB-HNNXBMFYSA-N 364.475 1.864 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCCN2CCCCC2)cn1 257231518 GHCJHQJLULZGFO-UHFFFAOYSA-N 369.469 1.724 0 40 FDAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257239072 HNVQAROEDRDQCS-PMACEKPBSA-N 358.482 1.863 0 40 FDAB CCOC[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)CCO1 623746599 HNWYHESJTLQDKR-CWRNSKLLSA-N 353.463 1.080 0 40 FDAB CSCc1ccc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)o1 91325951 PCUNEEDGRRLBTL-QGZVFWFLSA-N 351.472 1.569 0 40 FDAB COC(=O)[C@H]1CCc2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC1 601045592 YRLXRNCNBXKVNH-NSHDSACASA-N 353.382 1.318 0 40 FDAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cnccn1)C2 575404725 UYKPRRMMSLDVSU-HNNXBMFYSA-N 353.426 1.487 0 40 FDAB Cc1cccc(COC[C@H]2Cc3c(ncn3C)CN2C(=O)CN(C)C)n1 585094620 FSQCNIJACPUTBB-MRXNPFEDSA-N 357.458 1.155 0 40 FDAB C[C@@H]1CC[C@H](NC(=O)N[C@H]2COc3ccc(F)cc3C2)CS1(=O)=O 664916634 PBEPZKQSEAKNBX-DDTOSNHZSA-N 356.419 1.394 0 40 FDAB O=C(c1nc2c(o1)CCN(C(=O)[C@H]1CCCO1)C2)N1CCC(F)(F)CC1 585113046 XXPGWWKAWFUBKP-CYBMUJFWSA-N 369.368 1.610 0 40 FDAB COC[C@@H](NS(=O)(=O)c1cccc2nonc12)c1cccc(OC)c1 585091908 FHCGQOSRARVORR-CQSZACIVSA-N 363.395 1.897 0 40 FDAB Cc1cc(N2C[C@@H]3CN(C(=O)COc4ccc(F)cc4)C[C@H]3C2)ncn1 1776009593 LDFWISSLNYBRDI-HUUCEWRRSA-N 356.401 1.898 0 40 FDAB CCN1C[C@@H](C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1=O 60290636 PFOQXMXCBCLYDA-LBPRGKRZSA-N 361.423 1.689 0 40 FDAB Cn1cc(CC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)c2ccccc21 585324357 LRIKPUYIJZTNGD-UHFFFAOYSA-N 354.454 1.129 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4ncnc5ccc(F)cc45)C3)nn12 585593398 RKRWVYFBQSJPFC-UHFFFAOYSA-N 364.388 1.840 0 40 FDAB Cc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)o1 5868177 GITAZEOHZWXQFU-UHFFFAOYSA-N 352.368 1.339 0 40 FDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)Cn1cnc2ccccc2c1=O 12183266 SOEDUHGBHWCNMM-ZDUSSCGKSA-N 362.393 1.346 0 40 FDAB CS(=O)(=O)N1CC(=O)O[C@@H](Cn2c3ccccc3c3ccccc32)C1 12249902 YJVXAXFAXPAWQB-CYBMUJFWSA-N 358.419 1.982 0 40 FDAB CN[C@H](ON1C(=O)[C@H](O)Oc2cc(OC)ccc21)C(Cl)(Cl)Cl 16189376 IXBJXWSSEQIOEE-GHMZBOCLSA-N 371.604 1.586 0 40 FDAB COC(=O)c1c(N)nc2c(c(O)nc(=O)n2C)c1-c1ccc(Cl)cc1 16363815 UENVVRGSGIRDPO-UHFFFAOYSA-N 360.757 1.723 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19406367 PAXPJAGSGSLUKE-ZDUSSCGKSA-N 360.439 1.778 0 40 FDAB COc1cc2cc(C(=O)NC[C@H](C)N3CCOCC3)n(C)c2cc1OC 19456496 BYUNNVCBFIFPDH-ZDUSSCGKSA-N 361.442 1.646 0 40 FDAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 19693880 ZBJAIRGYTQULSW-GFCCVEGCSA-N 366.447 1.211 0 40 FDAB COCC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(C)=O)c2)CC1 19698102 SZJYBKPUGVEFQC-GOSISDBHSA-N 360.458 1.368 0 40 FDAB Cc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc([C@@H]2CCNC2)n1 19739024 GYXZMKUMEZZKKL-QGZVFWFLSA-N 354.502 1.831 0 40 FDAB CN(CC(=O)N1CCCCC1)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 19760127 DWRVAXJFERFWBL-MRXNPFEDSA-N 360.506 1.411 0 40 FDAB CN(C)C(=O)c1ccc([C@H]2CCCN(CC(=O)Nc3ccccn3)C2)nc1 19767356 OIYDGQIULWWUQR-INIZCTEOSA-N 367.453 1.997 0 40 FDAB CN(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O 643550476 KFTFKTVXSSRBCS-PZJWPPBQSA-N 354.450 1.757 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1 4823189 SYZOOGKDMAPJOO-UHFFFAOYSA-N 360.370 1.020 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1ccccn1 6167966 ANDHIQLOXFZZQZ-UHFFFAOYSA-N 350.396 1.652 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC1 7063811 PFWNBUNHPHVCSQ-UHFFFAOYSA-N 364.402 1.659 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)OC(C)(C)C)C2=O 14675911 UAKVPFORDBNVTL-DIFFPNOSSA-N 354.403 1.372 0 40 FDAB O=C(Nc1cnccn1)[C@H]1CCO[C@H]2CCN(Cc3ccccn3)C[C@@H]21 1565539371 VVZZDDMTOZQSFX-BBWFWOEESA-N 353.426 1.737 0 40 FDAB CCOC(=O)c1nnn(-c2nc(OCC)nc(N3CCCCC3)n2)c1C 1089651 VMBRWGYRDAOMHU-UHFFFAOYSA-N 361.406 1.326 0 40 FDAB CC1=NN(CC(C)C)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2[C@H]1C 4316671 DGBNFWVVDNZBIA-ZDUSSCGKSA-N 360.462 1.966 0 40 FDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)n12 13286719 OIQLLWFPUDDQIC-PHIMTYICSA-N 365.459 1.098 0 40 FDAB O=C(c1ccncn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751330 LGMXCSDVVIGSME-UHFFFAOYSA-N 365.437 1.796 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)cn1 2055750696 QTVHAQYZFANJJF-RBUKOAKNSA-N 370.453 1.974 0 40 FDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2ccnn2C)C1 2055751271 CRIAJAFWAVTSBV-IBGZPJMESA-N 355.442 1.595 0 40 FDAB O=C(/C=C/c1cccs1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906142 GNXHZKGTTWMQCN-ONEGZZNKSA-N 367.438 1.481 0 40 FDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1csc(-c2cnccn2)n1 44123710 NPBFIOWARJITNV-UHFFFAOYSA-N 350.367 1.828 0 40 FDAB Cc1noc([C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc3c(c2)CCO3)n1 585146141 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Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(Cl)cc2)n(C)c1=O 4070319 RABZBLSCHPFPCX-UHFFFAOYSA-N 367.192 1.623 0 40 FDAB COC(=O)c1c(NC(=O)CSc2nc(N)cc(N)n2)sc(C)c1C 4161120 LLIXCPJNEJAMPR-UHFFFAOYSA-N 367.456 1.837 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)CCn2cncn2)CC1)c1ccccc1 31245049 JANSPFAOCOMMFA-UHFFFAOYSA-N 355.442 1.317 0 40 FDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4388642 RQZAKLPXGJTNNF-XMDUPGNXSA-N 362.401 1.803 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3O)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4560592 QYHDAPSRVVKNBC-YTBGYOSVSA-N 365.382 1.727 0 40 FDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1 8053740 YBFANZBKPUFARE-UHFFFAOYSA-N 362.415 1.371 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ncnc2nc[nH]c12 11158761 YAARHTADFSHVBS-VIFPVBQESA-N 369.337 1.308 0 40 FDAB CN(C)C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 32216236 SEALBIVLYZTAID-SFHVURJKSA-N 365.437 1.601 0 40 FDAB CCn1ncc(CN2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)c1C 101616809 XPLZUXSFYCOSQE-LAQRGFTBSA-N 372.469 1.379 0 40 FDAB CCCn1c(-c2ccc(OC)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 16839446 ZWJXCFWQLFGAJT-UHFFFAOYSA-N 353.382 1.762 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 32759523 COJOIHUFJILJHM-VBQJREDUSA-N 365.499 1.382 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc32)C[C@@H](C)O1 32815224 ITRFCMVRGHJKJB-RBSFLKMASA-N 353.488 1.381 0 40 FDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NC(C1CC1)C1CC1 23113951 LRNHKUJJABOLGM-UHFFFAOYSA-N 365.451 1.926 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC(c3ccccc3)CC2)C1=O 32909484 ILWWYRJFYHYSMF-LJQANCHMSA-N 358.442 1.618 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccsc2)C[C@@H](C)O1 32914946 LHXDXWUGVAKGCG-BETUJISGSA-N 360.501 1.236 0 40 FDAB CC(C)COC(=O)N1CCN(C(=O)c2sccc2-n2cnnn2)CC1 58163585 CZPHUHBZIBYFJO-UHFFFAOYSA-N 364.431 1.274 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 101047746 MVVRECSWYQVSNV-VWPFQQQWSA-N 354.786 1.726 0 40 FDAB CC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 2664451 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CC(C)(C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3315398 BGJZSNZVKWCYFW-UHFFFAOYSA-N 368.455 1.543 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c1 8392487 CSRRFJOTCYZSSG-BXUZGUMPSA-N 355.412 1.578 0 40 FDAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8327393 OJZUPPBDFZSXBT-UHFFFAOYSA-N 371.378 1.763 0 40 FDAB CC(C)c1cccc(N(C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 64516928 VWORALPYAVJBKA-CQSZACIVSA-N 367.471 1.259 0 40 FDAB NC(=O)c1c(NC(=O)C(=O)NC[C@H](O)c2ccccc2)sc2c1CCC2 13624222 PBVBAYNVESPGDJ-LBPRGKRZSA-N 373.434 1.124 0 40 FDAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1n[nH]c2ccccc12 6370716 ITWHRZMADBQNMD-UHFFFAOYSA-N 371.374 1.564 0 40 FDAB CC(C)CN(CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 14166359 XXIHRXRERULPCW-CQSZACIVSA-N 371.503 1.344 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14129706 YFTAIRKYQHOUBC-UHFFFAOYSA-N 370.427 1.357 0 40 FDAB CCN(C(=O)CN(C)Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 14246253 FSQVSZKDAKHQMX-QGZVFWFLSA-N 352.500 1.771 0 40 FDAB Cc1ccccc1C(=O)NCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 14372120 VKAAUFLNCGVDIY-UHFFFAOYSA-N 370.434 1.681 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 6561494 LRDYPFCCYHTWBR-UHFFFAOYSA-N 366.414 1.556 0 40 FDAB CC(=O)NCCc1ccc(C(=O)CSc2nnnn2C2CC2)s1 16550295 NWPRLFVQOCYUNZ-UHFFFAOYSA-N 351.457 1.723 0 40 FDAB C[C@@H](Sc1nnc(C2CC2)n1N)C(=O)Nc1ccc2c(c1)OCCO2 8010896 WPLGXUGPQXLDBQ-SECBINFHSA-N 361.427 1.760 0 40 FDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)on1 18082344 OPQCTRNNOVOPFV-UHFFFAOYSA-N 353.375 1.269 0 40 FDAB O=C(CCc1ccncc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005358 FYKIZKFFCOJWQU-KRWDZBQOSA-N 365.499 1.867 0 40 FDAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1n[nH]c2ccccc12 89977203 NBNGXVBVNBPQDU-CABCVRRESA-N 369.469 1.768 0 40 FDAB Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C)c3ncccc23)n1 95469432 QAEKVRXOVVBSKW-AWEZNQCLSA-N 374.422 1.997 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 95991961 KQVLUNZFJCEZOS-WBMJQRKESA-N 357.410 1.862 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(OC)cc2)c1 30438382 HXVXXXLNHPJIBC-UHFFFAOYSA-N 365.407 1.839 0 40 FDAB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(C(N)=O)nc3)cn2)C[C@@H](C)O1 527263990 BBFBEZJWIWRYAZ-VXGBXAGGSA-N 355.398 1.441 0 40 FDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3ccnn3C)CC2)C1 72394343 JMDPCTLHSSJJSL-UHFFFAOYSA-N 368.437 1.836 0 40 FDAB COc1ncccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 32796296 JNASLIOJLGBYGG-UHFFFAOYSA-N 355.803 1.321 0 40 FDAB COc1cc2c(=O)n(CCO)c(=O)n(Cc3ccccc3)c2cc1OC 71282564 OUXWAUHGIDQFOY-UHFFFAOYSA-N 356.378 1.221 0 40 FDAB Cn1c(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21 79477999 ROQIGUBQIQGALN-SFHVURJKSA-N 361.409 1.508 0 40 FDAB C[C@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)C1(S(C)(=O)=O)CC1 562865480 VMEOBOVHENEAHR-ZDUSSCGKSA-N 374.466 1.863 0 40 FDAB O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(Br)c1 42645818 WZARRSDBOUSDPU-UHFFFAOYSA-N 370.247 1.226 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C)CC1 49710541 XEYNXWWBLGBZIP-NSHDSACASA-N 366.487 1.975 0 40 FDAB Cc1ccnc(NC(=S)NCc2ccc(S(=O)(=O)N(C)C)cc2)n1 225215335 AULHFYCKPUWCPT-UHFFFAOYSA-N 365.484 1.522 0 40 FDAB Cn1cnc(-c2ccc(NC(=O)N3CCC(n4cnnc4O)CC3)cc2)n1 519418508 FKTYXRLWWVWNRS-UHFFFAOYSA-N 368.401 1.648 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 224307721 FTYKIXPNSBVVLK-UHFFFAOYSA-N 371.441 1.522 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96219369 JPQHSHSMVWSEBF-MAUKXSAKSA-N 374.466 1.819 0 40 FDAB COc1cc(N2CC[C@H]3OCCC[C@@]3(COCCN(C)C)C2)ncn1 96039522 RHYDGXPNESVTGM-QAPCUYQASA-N 350.463 1.439 0 40 FDAB O=C(NCc1nc2ncccn2n1)N1CCC[C@H](Oc2ncccc2F)C1 576368083 JKPUNDYPIQJCET-LBPRGKRZSA-N 371.376 1.411 0 40 FDAB O=C(Nc1ccncc1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105213 RUROJEYECYEIKE-UHFFFAOYSA-N 350.386 1.307 0 40 FDAB CSCC[C@@H](NC(=O)CCn1cnnn1)c1nc2ccccc2n1C 583652686 IGKXJAGMGWUIGB-CYBMUJFWSA-N 359.459 1.561 0 40 FDAB CC(C)n1cc([C@@]2(O)CCCN(S(=O)(=O)CC3CCCC3)C2)nn1 583616302 DOHFCGLQOMTCQJ-MRXNPFEDSA-N 356.492 1.662 0 40 FDAB COc1nc(OC)nc(N2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)n1 257208674 BNDKPCKCLKZPAG-GFCCVEGCSA-N 354.374 1.410 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257201138 AGLPXIDEPVFXIG-CQSZACIVSA-N 356.430 1.642 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)NCC(=O)NC)[C@@H]1c1ccc(Cl)cc1 257343995 ZVHXKWSXUFBIJG-CJNGLKHVSA-N 351.834 1.502 0 40 FDAB CCn1nc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1C 257275285 NORCGGIWFNVBCC-SFHVURJKSA-N 358.446 1.105 0 40 FDAB NCc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccc4nccn4c3)C2)c1 257264866 LWHMDYPEPIUXLV-ZWKOTPCHSA-N 350.422 1.469 0 40 FDAB CCc1cc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n(C)n1 635200867 ZYWSYSWCZXDLLP-UHFFFAOYSA-N 370.409 1.309 0 40 FDAB Cc1c([C@H]2CNC[C@@H]2C(=O)N=c2[nH][nH]c3c(Cl)cccc23)cnn1C 643779631 LQDGVTTZYVTVGD-OLZOCXBDSA-N 358.833 1.622 0 40 FDAB CSC1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 601692987 XUSIKVWKNIVMQY-UHFFFAOYSA-N 356.249 1.854 0 40 FDAB C[C@]1(NC(=S)NCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 575420887 GERJXFFRTXMDTH-INIZCTEOSA-N 351.497 1.752 0 40 FDAB O=S(=O)(N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1)C(F)(F)F 575403245 GAFJUDFOTDLXDF-LBPRGKRZSA-N 366.361 1.681 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)c1ccnnc1 585096344 JOQLNEKXXPMFBV-GFCCVEGCSA-N 366.381 1.413 0 40 FDAB O=C(CN1CCOC[C@](O)(COc2ccccc2)C1)Nc1ccccn1 585275733 ADIIHTQLAYDOJN-IBGZPJMESA-N 357.410 1.162 0 40 FDAB CNC(=O)C[C@]1(COC)CN(C(=O)c2c(C(C)C)noc2C)CCO1 585279687 XFVNCAUUGSDPFQ-QGZVFWFLSA-N 353.419 1.100 0 40 FDAB CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)Cc1ccn(C)n1)C2 585110854 QVCYNFZXINSWAC-INIZCTEOSA-N 357.458 1.732 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)C1CC1 585111753 ANBPSYVDUOQEBG-MRXNPFEDSA-N 352.504 1.902 0 40 FDAB O=C(NCCNc1ncccc1C(F)(F)F)NCC(=O)N1CCCC1 56374692 DIASGDCKEGBKGR-UHFFFAOYSA-N 359.352 1.434 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 56954223 JNMHYLIYAWKUSI-INIZCTEOSA-N 353.386 1.219 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)cc1 1639643679 FVPHLSUOEVVGGW-LBPRGKRZSA-N 354.366 1.642 0 40 FDAB CCOc1ccccc1NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O 5824012 KNLPRLCCNPAGBS-QMTYFTJSSA-N 372.402 1.721 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3C[C@@H]3C)[nH]c(=O)c2C1 19463403 VIPNPUPGAQMCFP-DETPVDSQSA-N 358.442 1.384 0 40 FDAB COc1ccc(C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)cn1 19584648 JTWBFSVJFYCLOO-UHFFFAOYSA-N 364.409 1.938 0 40 FDAB CN(C)S(=O)(=O)NCC[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 19748992 VLMZNOFYMKHXCT-CQSZACIVSA-N 365.503 1.704 0 40 FDAB COc1ccnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)n1 1888890830 YLTNBLLIHDFKGA-LBPRGKRZSA-N 367.413 1.706 0 40 FDAB S=C(NCCCN1CCOCC1)Nc1ccc(N2CCOCC2)cc1 25391648 DZSSVGVUOIZIMS-UHFFFAOYSA-N 364.515 1.532 0 40 FDAB CCCC[C@H](NC(N)=O)C(=O)NCCOCCN(C)C(=O)C(CC)CC 1775988863 MXIXLAGCFLAFBK-HNNXBMFYSA-N 372.510 1.241 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)ccc21 2928300 QMMDAHBTBUVGAZ-CQSZACIVSA-N 354.428 1.373 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccncc3)c2C)n1 16849609 RGMOTRJZMFQMOR-UHFFFAOYSA-N 352.398 1.847 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccncn2)CC1 2055750638 LJNLSDPNLKOXPD-UHFFFAOYSA-N 369.425 1.318 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCC[C@H](CCO)c2cccs2)CC1 575606627 IMTCABHZZOZFAR-CYBMUJFWSA-N 374.528 1.392 0 40 FDAB O=C(NC[C@]1(O)C=CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 606440762 NWXZOSDAORFHPW-IBGZPJMESA-N 357.410 1.339 0 40 FDAB CON(c1nc(Cl)nc(N(C)C)n1)S(=O)(=O)c1ccc(C)cc1 2321574 HJFDAXOGLMYATJ-UHFFFAOYSA-N 357.823 1.656 0 40 FDAB COc1cc([C@H](O)[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 5999120 KMYQEVOSRSCASE-OALUTQOASA-N 364.394 1.505 0 40 FDAB endogenous,in-man Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 10457597 TXKXKTVDGMHNAL-KRWDZBQOSA-N 367.449 1.699 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C[C@@H](C)O1 15980300 NNEXVDOPVDSHFK-VLXJIEOASA-N 357.410 1.016 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)N(CC)C(=O)N[C@H]1c1ccccc1 28631964 PCOGCXRREAGBBX-SFHVURJKSA-N 373.453 1.922 0 40 FDAB CC1(C)S[C@@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O 800350 YLGIIVBDSLVWDR-DZSWIPIPSA-N 359.039 1.619 0 40 FDAB biogenic CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100913765 FGHKLDLTUGNPQT-MWLCHTKSSA-N 367.155 1.256 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1 32102888 NFVJHTJRLZSMBD-UHFFFAOYSA-N 357.410 1.243 0 40 FDAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCC3)s2)c1 6817888 INABZXUADJUZSI-UHFFFAOYSA-N 368.440 1.584 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)C[C@@H]1CCS(=O)(=O)C1 100142974 BERCSXXJWXQSIK-YDHLFZDLSA-N 374.466 1.451 0 40 FDAB Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2c(=O)[nH]n(C)c2n1 32963284 AVXKYLGLZJIFAD-OAHLLOKOSA-N 352.394 1.784 0 40 FDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1Cl 23196559 GCEYRTHUVHYVRO-SUHUHFCYSA-N 352.818 1.833 0 40 FDAB Cc1cc(C(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(C)[nH]1 23461661 LQSYRVBFUGUEJJ-UHFFFAOYSA-N 361.398 1.612 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 25048212 AJIPJPIFUUFCFQ-UHFFFAOYSA-N 352.397 1.011 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(F)cc2)c(=O)c1=O 22725245 XLBIJTQKTHBPGK-UHFFFAOYSA-N 369.352 1.786 0 40 FDAB CC(=O)Nc1ccc(CNC2(Cc3cc(C(C)(C)O)on3)COC2)cc1 67897942 FWYIATACERNVSL-UHFFFAOYSA-N 359.426 1.962 0 40 FDAB biogenic,in-vitro COc1cc(OC)c(NC(=O)N2CCN(CCO)C(=O)C2)cc1Cl 75106484 LVWZJEWDWWGCGV-UHFFFAOYSA-N 357.794 1.026 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCOC1 58181120 IZZBOYYXJVBRBS-CYBMUJFWSA-N 368.455 1.845 0 40 FDAB CSCC[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 44918916 ZCVFMPJQBCLCTH-AWEZNQCLSA-N 361.423 1.233 0 40 FDAB Cc1noc([C@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2)n1 58343373 IKUJITPSDHCFIU-MRXNPFEDSA-N 361.365 1.873 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NCC(F)(F)F)CC2=O)cc1 3289221 UYZYVPHSAVTLLY-LBPRGKRZSA-N 372.343 1.824 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 12691066 CXTAVYVVMWGOAD-QGZVFWFLSA-N 367.405 1.324 0 40 FDAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12686728 SNEKOYWIAQHPIO-LBPRGKRZSA-N 353.469 1.125 0 40 FDAB O=C(NCCCCN1CCOCC1)c1ccc(CN2C(=O)CCC2=O)cc1 48286023 PBUIMMDNQOOKFP-UHFFFAOYSA-N 373.453 1.178 0 40 FDAB CC(C)(CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)N1CCOCC1 48290478 GTARHJJZOZPMSM-MRXNPFEDSA-N 359.470 1.805 0 40 FDAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 3356271 NVAQBOHURUEMRK-INIZCTEOSA-N 361.442 1.174 0 40 FDAB COC(=O)c1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 12890296 FPWRYYIZEYUHQW-UHFFFAOYSA-N 358.379 1.738 0 40 FDAB CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 3516683 MLVPSIUIYWOABQ-SFHVURJKSA-N 354.366 1.062 0 40 FDAB O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCC1 18271529 MRMHGBKNHMDREZ-QGZVFWFLSA-N 373.428 1.792 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCCN1C(=O)c2ccccc2C1=O 39223336 JWHXGPLQIIEYJR-LLVKDONJSA-N 356.334 1.237 0 40 FDAB O=C(COc1ccc(OC(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 13690390 UQNJIZZZRMYIKD-VIFPVBQESA-N 353.318 1.267 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)CNC(=O)C2CCCCC2)cc1 8313132 MSBOKMCGCZPZMZ-UHFFFAOYSA-N 361.442 1.789 0 40 FDAB CC(C)CCNC(=O)NC(=O)COC(=O)CNC(=O)C1CCCCC1 6023179 XEVWGMDIKQIVKN-UHFFFAOYSA-N 355.435 1.098 0 40 FDAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1cccnc1 6258368 GQHUSONDURUMQW-GXTWGEPZSA-N 354.435 1.377 0 40 FDAB biogenic CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 6672687 SAVHMDWWOVRZFS-RYUDHWBXSA-N 354.453 1.553 0 40 FDAB Cc1c(C(=O)NCCc2ccccn2)nnn1-c1ccc2c(c1)OCCO2 67134184 HVRCNEIQBSFJJA-UHFFFAOYSA-N 365.393 1.714 0 40 FDAB COc1ccccc1CNC(=O)COC(=O)c1cccc(-n2cnnn2)c1 6932588 JRAGLBAGLOSHGA-UHFFFAOYSA-N 367.365 1.144 0 40 FDAB CC[C@H](C(=O)Nc1ccc(F)cc1)n1nnc(C(=O)OC)c1C(=O)OC 4969629 MIJROOIOBSUKGM-LLVKDONJSA-N 364.333 1.580 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)[C@@H]2C)cc1 4985904 LERQAYLUCXNVHR-HUUCEWRRSA-N 367.471 1.488 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 7019396 OSTHUPUZKQHUJJ-LBPRGKRZSA-N 361.398 1.053 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(OC)nc2)CC1 8735108 CIOPQTIQBGHOCD-GFCCVEGCSA-N 364.398 1.437 0 40 FDAB O=C(NCCN1CCOCC1)C(=O)NCC1(c2ccccc2)CCCC1 18196086 LJIRAQOIEKSFGE-UHFFFAOYSA-N 359.470 1.063 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccc2c(c1)OCCO2 9582965 HOVKJXJWPUDLDT-UHFFFAOYSA-N 363.458 1.947 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 8919353 KOXURDIMJLBHBQ-UHFFFAOYSA-N 370.408 1.200 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nnn(-c3ccccc3)c2=O)c1C 8935564 BRQSQJCYIBCSCI-UHFFFAOYSA-N 355.354 1.043 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)n2)cc1N(C)C 84185483 UZRRGOWQWDEEEL-UHFFFAOYSA-N 362.455 1.959 0 40 FDAB O=S(=O)(CCN1CCN(c2ccc(Cl)nn2)CC1)c1ccccc1 84558655 ZUUGXYVCJGIVSL-UHFFFAOYSA-N 366.874 1.726 0 40 FDAB CCn1cc(CCN2CCN(C(=O)Cc3cccc(OC)c3)CC2)cn1 503082000 VZXQPFBDOIPMSQ-UHFFFAOYSA-N 356.470 1.841 0 40 FDAB O=S1(=O)[C@H]2[C@@H](CN1c1ccccc1)[C@H]1CN(Cc3ccncc3)C[C@H]2O1 306124031 BDRMWUTVQOJJMU-MANSERQUSA-N 371.462 1.499 0 40 FDAB CSCC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2124197 SRJNYMCJCMPAHS-GFCCVEGCSA-N 351.380 1.494 0 40 FDAB biogenic C[C@]1(c2ccc(C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)cc2)NC(=O)NC1=O 533044606 MZRAVQOXRAFSOL-AUSJPIAWSA-N 371.437 1.630 0 40 FDAB CS(=O)(=O)N1CCc2cc(NC(=O)Cc3ccccc3C(=O)O)ccc21 71288025 KRVLSHCGHNATGK-UHFFFAOYSA-N 374.418 1.888 0 40 FDAB O=C(NC1CCCC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314177 NHPVRXKTIIGHKN-UHFFFAOYSA-N 354.458 1.888 0 40 FDAB CNC(=O)NC(=O)CN1CCC(Cn2cnc3cc(C)c(C)cc32)CC1 38671315 HLMAKZJJEHRRDI-UHFFFAOYSA-N 357.458 1.821 0 40 FDAB Cc1nc(C)c(COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)s1 78446169 FJTPCQPKIRFEFG-AWEZNQCLSA-N 358.423 1.923 0 40 FDAB CN1CC(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)C[C@@H]2C1=O 14731334 ODTIYIKCRALXSO-GFCCVEGCSA-N 371.224 1.510 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1 223437123 XVGPLOFMTUZGQE-UHFFFAOYSA-N 350.491 1.451 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC(=O)CC1 85432610 UKDRXGJYILCSOU-OAHLLOKOSA-N 358.442 1.098 0 40 FDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(-n3ccnn3)cc1)CC2 89832305 PUSLKPRZQXDDCT-IRXDYDNUSA-N 356.426 1.659 0 40 FDAB C[C@@H](NC(=O)c1ccc(F)cc1I)C(=O)N(C)C 48221000 OMXUHUJEMSFPHW-SSDOTTSWSA-N 364.158 1.637 0 40 FDAB COc1ccccc1CN1CC2(CN(CC(C)C)C[C@H]3C[C@@H](O)CN32)C1 514290228 VHHPZIRRVRCNMA-RTBURBONSA-N 359.514 1.656 0 40 FDAB biogenic,in-vitro O=C(c1ccccn1)N1CC[C@@H]2CN(CCN3CCCC3)CCO[C@@H]2C1 96082357 CWEAQENDWCIVCE-IEBWSBKVSA-N 358.486 1.340 0 40 FDAB CCOC(=O)CN1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 96226094 KQBUDCAKFMNJFS-SFHVURJKSA-N 363.389 1.226 0 40 FDAB Cc1cc([C@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C)s1 332095370 DLITWYXZGHEADS-JTQLQIEISA-N 372.450 1.802 0 40 FDAB CO[C@@H]1CCN(C(=O)Cc2ccco2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96110993 SZIZOKDSJXMUJO-IPMKNSEASA-N 355.438 1.965 0 40 FDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(CC1CCOCC1)C2 96056977 JHGJDBLYCCRSOZ-HKUYNNGSSA-N 354.491 1.389 0 40 FDAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1ccsc1)CC2 96215970 VJIXRNPAQBKMES-ZDUSSCGKSA-N 358.485 1.309 0 40 FDAB COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96118078 UZPQLSNTPFAZHH-NSHDSACASA-N 362.773 1.482 0 40 FDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 96215311 YAQXFOXFCGELKO-HXUWFJFHSA-N 359.470 1.791 0 40 FDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(Cc3ccccn3)C2)C1 96229333 MPVLIZARASRZFZ-QGZVFWFLSA-N 353.488 1.346 0 40 FDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ncccc3c1)C2 247838899 KDTHQENBFWUJPK-HNNXBMFYSA-N 360.435 1.511 0 40 FDAB Cc1cc(CN2CC3(C[C@H](CCOCC(=O)N(C)C)CCO3)C2)no1 248058095 YNODNVWBLXVWSJ-OAHLLOKOSA-N 351.447 1.459 0 40 FDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257330768 XPXCPCPUEWRWSF-GOSISDBHSA-N 355.442 1.895 0 40 FDAB CN(C)C(=O)c1cnn2c(C3CCN(c4cnccn4)CC3)ccnc12 257274649 NLYYRTNBBWYPPY-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB CN(c1ccccc1)[C@@H]1COC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 257341394 ZKDQMWLTYOTDQU-SFHVURJKSA-N 371.481 1.895 0 40 FDAB Cc1cc(-c2cncc(CC3CCN(S(=O)(=O)N(C)C)CC3)n2)[nH]n1 257281663 OQJGQYKVTRENEK-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1noc2c1CCCC2 257213594 CIGAMENIXIXHRX-SFHVURJKSA-N 357.414 1.105 0 40 FDAB COCCOc1cc(CN2CCC[C@@]2(C)C(=O)NCCO)ccc1OC 257233147 GOAJLNWYUPTEOY-IBGZPJMESA-N 366.458 1.183 0 40 FDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3ccccc3F)c2)CCO1 257229005 FWFDPSUOIBVVKE-IBGZPJMESA-N 357.385 1.528 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 257271194 MXFYXLFFZLPGRY-KRWDZBQOSA-N 374.462 1.940 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1 260800828 YQLQKYPDJGEJQZ-GUBZILKMSA-N 358.489 1.990 0 40 FDAB O=C(CN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)N(Cc1ccccc1)C1CC1 643962658 AORWOGLTXMVZOO-ZCNNSNEGSA-N 357.498 1.755 0 40 FDAB O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cccc(-n2cncn2)c1 646161129 QARMVBKBUGUYCP-CQSZACIVSA-N 367.413 1.292 0 40 FDAB Cc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NC1CCCC1 653171917 OVCCDVSBMYSRTN-UHFFFAOYSA-N 351.472 1.957 0 40 FDAB CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@H](CNC(=O)Cc3c[nH]c4cnccc34)[C@H]2C1 1726170111 MKLLNVAFXQTMHK-YXWSMURKSA-N 366.465 1.972 0 40 FDAB CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)N1CCCC1=O 299551821 QTNYJMCWHOXNDE-SFHVURJKSA-N 373.453 1.324 0 40 FDAB O=C(Cn1ccc(C2CC2)n1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585276563 PXNLEIKMMQKVCR-IBGZPJMESA-N 359.401 1.942 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)N2CCCN(c3nc(C)cs3)CC2)C1 55759809 OMTDXAIXGASUEV-HNNXBMFYSA-N 350.488 1.749 0 40 FDAB C[C@@H](NC(=O)CN(CC(=O)N(C)C)CC(F)(F)F)c1ccc(F)cc1 58078322 WOIVZKAHYLHEFX-LLVKDONJSA-N 363.355 1.955 0 40 FDAB Cc1ccc(CC(=O)N2CCC(n3nnc4c(O)nc(C)nc43)CC2)cc1 12336929 PCLAMNJBXAOQPV-UHFFFAOYSA-N 366.425 1.950 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 18762973 GGCHATJNQOHZML-UHFFFAOYSA-N 361.206 1.837 0 40 FDAB Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)c3cnccn3)CC2)s1 19749178 IZFZZTMZOLVRRR-CYBMUJFWSA-N 359.455 1.975 0 40 FDAB CO[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)C[C@H]1c1cnn[nH]1 657145338 IIHCUPGDJUZCIB-GXTWGEPZSA-N 356.835 1.402 0 40 FDAB Cc1nc2c(c(N3CCN(c4nccc(N5CCCC5)n4)CC3)n1)CCC2 1889108576 VTNLSHILHZJDIV-UHFFFAOYSA-N 365.485 1.991 0 40 FDAB CCN=c1ccnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)[nH]1 2087127700 VPLDTFWTQUZVLW-UHFFFAOYSA-N 357.340 1.054 0 40 FDAB COc1cnc(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)nc1 1565555691 FVKJKWOKLFGLSS-UHFFFAOYSA-N 362.393 1.578 0 40 FDAB CC1CCN(S(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)CC1 4941032 FNTUPOBPHWYMPW-UHFFFAOYSA-N 354.428 1.207 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)c1 10334706 GOZPRDRMKNKNIM-CYBMUJFWSA-N 354.428 1.878 0 40 FDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12 17967011 DFWUNJMYQLNCAH-BDAKNGLRSA-N 356.165 1.374 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)cn1 2055750685 QEMIKYSHTULMPC-RTBURBONSA-N 352.438 1.764 0 40 FDAB O=C(NCCO)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908041 XFRBAMWGAWJODE-MRXNPFEDSA-N 373.478 1.072 0 40 FDAB Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)no1 23134477 ZEVJCWDKLDJTAI-UHFFFAOYSA-N 371.376 1.056 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 101448961 JJCSKAXFNIOCSI-IIMDRIAPSA-N 361.401 1.684 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(C)cc1 20213831 DQRQFOWLFDSGCP-KRWDZBQOSA-N 359.426 1.498 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)CCC(=O)c2ccc3c(c2)CCC3)n1 10973690 JSNDOXFCNJDPEH-UHFFFAOYSA-N 369.425 1.715 0 40 FDAB CC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1 1357626 VMNYXYDPHKHXOJ-UHFFFAOYSA-N 362.459 1.821 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1cc(C)ccc1C 4569035 YSVLWEZRMAGNEW-ADHGMGHFSA-N 365.426 1.424 0 40 FDAB Cc1nnc(NC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)s1 45974953 QKTBPMJZXWBXTQ-UHFFFAOYSA-N 374.470 1.556 0 40 FDAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)cc1 8559296 DTWBIBCUAZGLAG-SECBINFHSA-N 355.276 1.828 0 40 FDAB NC(=O)COc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 29893164 RQLRIHMVCKWYCT-ZDUSSCGKSA-N 355.398 1.196 0 40 FDAB C[C@@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)Nc1ccccc1OC(F)F 32936187 JUATYKYEXOSOFX-SECBINFHSA-N 367.308 1.566 0 40 FDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1CCn2c1nc1ccccc12 102928833 JZUBQLIKOWMQIZ-BETUJISGSA-N 350.378 1.334 0 40 FDAB CC(C)n1c(=O)[nH]c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2c1=O 33241476 CVJQCHQFAZEXOG-UHFFFAOYSA-N 367.409 1.984 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCCCc1ccccc1 2637546 GTGLEGROZIZHDM-AWEZNQCLSA-N 358.394 1.690 0 40 FDAB O=C(CN1CCC(NC(=O)c2ccccc2OC(F)F)CC1)NC1CC1 53479732 YRXXERCURRXTNU-UHFFFAOYSA-N 367.396 1.761 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3cccs3)n2)cc1 21453863 PLTGXVBIJNBYFS-UHFFFAOYSA-N 372.406 1.967 0 40 FDAB CN(C)c1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cn1 24114929 XLFDDXSLFDTYFY-UHFFFAOYSA-N 368.484 1.553 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccn1 47405442 GGGLJWPROKGRJE-UHFFFAOYSA-N 355.366 1.760 0 40 FDAB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 24765323 JFGVSNOWCRWGOM-ZWNOBZJWSA-N 374.846 1.634 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)cc1 56090620 OGYWSHCGDBJQRP-UHFFFAOYSA-N 355.412 1.437 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(CC)CC)cc1OCC 26356132 LXWACHHNLFDAIR-UHFFFAOYSA-N 372.487 1.973 0 40 FDAB Cc1ccnc2nc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)nn12 57475840 DZBPFKAYOGBTJB-CQSZACIVSA-N 354.414 1.983 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 57801448 XYLZHHNHHIZDEB-CQSZACIVSA-N 352.394 1.829 0 40 FDAB Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)c4ccnnc4)[C@@H]3CC2)[nH]n1 306144836 ZPUMKVWJYWQAHB-XJKSGUPXSA-N 354.414 1.275 0 40 FDAB O=C(NCCCCn1ccnc1)N[C@H]1CCN(Cc2ccccc2)C1=O 58201667 LOUWQMURXNQGSL-KRWDZBQOSA-N 355.442 1.764 0 40 FDAB CC(C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 2136482 JWBFBOBAOJUPJV-KBPBESRZSA-N 361.398 1.112 0 40 FDAB biogenic COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)cc1 2234500 UCUGODSAJDOZKC-UHFFFAOYSA-N 373.394 1.769 0 40 FDAB COc1cccc(N2CCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c1 12647738 WQMNKGIAIKMMPR-UHFFFAOYSA-N 369.425 1.713 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12774961 VBCHBYOQMOZPLS-ZDUSSCGKSA-N 370.409 1.800 0 40 FDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 3446291 VYBKMHFEXIRVCN-UHFFFAOYSA-N 350.371 1.832 0 40 FDAB Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 3559949 OZMIWLNKHBWKDH-UHFFFAOYSA-N 354.472 1.792 0 40 FDAB Cc1cc(Nc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)no1 12908946 GEIJFCOJHYDXCG-UHFFFAOYSA-N 364.383 1.889 0 40 FDAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 13252435 JCIGCTLYEQFPCI-UHFFFAOYSA-N 370.818 1.397 0 40 FDAB COC(=O)COc1nc2n(c(=O)c1Cc1ccc(OC)cc1)CCS2 13623482 JAPAHFXITDUORG-UHFFFAOYSA-N 362.407 1.500 0 40 FDAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1CSC[C@@H]1O 13719262 OCNNTPLSPGJGQG-WFVMDLQDSA-N 368.436 1.299 0 40 FDAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(=O)NCC(C)C 14140962 YMOQFJWXUOPIQF-LBPRGKRZSA-N 362.459 1.933 0 40 FDAB O=C(OCC(=O)c1ccc[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1 5464982 OMLHAVQRTFPTKG-UHFFFAOYSA-N 362.407 1.839 0 40 FDAB CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccccc2OC)c1 6510011 QEMASIOMWQIGIL-UHFFFAOYSA-N 371.436 1.995 0 40 FDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 7141914 MGOHXMZNJMNJLM-JTQLQIEISA-N 358.427 1.511 0 40 FDAB COc1ccc(C)cc1COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 7286788 KQTOZOGFAWCHMK-UHFFFAOYSA-N 354.362 1.750 0 40 FDAB COc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)cc1 96019658 JQPVGCHHSTZDLC-MHWRWJLKSA-N 352.346 1.904 0 40 FDAB CCOC(=O)c1oc2ccccc2c1CN1C(=O)N[C@@]2(CCOC2)C1=O 89984795 XORBCYNSAFMTIH-GOSISDBHSA-N 358.350 1.820 0 40 FDAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)ccc2O1 97012769 NWFWKPAAJFLJGK-PXAZEXFGSA-N 363.439 1.506 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC)cc1 22271119 GPWZQBAOYUISIO-QGZVFWFLSA-N 362.451 1.721 0 40 FDAB CN(C)CCOc1ccccc1CNC(=O)N1CCC2(CC1)CNC(=O)C2 73915269 OSMOKOUCLXLOIG-UHFFFAOYSA-N 374.485 1.439 0 40 FDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1C(N)=O 74069538 ZAQULLMSHXDPGQ-AWEZNQCLSA-N 354.410 1.154 0 40 FDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c2c(c1)OCO2 85413667 WHMFJUHUYOKBRU-CZUORRHYSA-N 360.318 1.751 0 40 FDAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCOCC1 22246253 VDPQBYFQHNEJMS-SFHVURJKSA-N 374.462 1.435 0 40 FDAB C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)C[C@@H](C)O1 409412768 AGVNXTGLCTWUGG-VNHYZAJKSA-N 360.458 1.775 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704572 PSTONEORAQIDOS-NSHDSACASA-N 356.444 1.527 0 40 FDAB O=C(c1cc(Br)ccc1O)N1CCN(C(=O)C2CC2)CC1 36075114 UJDDXMYJNRNHAE-UHFFFAOYSA-N 353.216 1.849 0 40 FDAB CCC(C)(C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72327358 ZOACQSDEQWTEHR-FQEVSTJZSA-N 373.453 1.822 0 40 FDAB Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)C[C@@H]2C)cc1 226977975 FUMBRRPVZRBAAB-JFMONLCZSA-N 358.438 1.910 0 40 FDAB Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 328734139 YKHMRADJYVFUOU-CQSZACIVSA-N 355.508 1.313 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1 223729540 WXTUBRPBDYGTSF-UHFFFAOYSA-N 358.420 1.750 0 40 FDAB CCOC(=O)c1csc(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 96345633 ZQFWQJNSCRBYNM-UHFFFAOYSA-N 362.411 1.394 0 40 FDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)C2CCOCC2)cs1 96056596 FRMKTQTUFNGVAD-HZPDHXFCSA-N 363.483 1.970 0 40 FDAB Cc1ccc([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C)C2)cc1 575937002 NKOZQLFEKGRPDG-ZFWWWQNUSA-N 363.487 1.728 0 40 FDAB CCS(=O)(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244310 IBAQHFJSOLWJDH-QGZVFWFLSA-N 360.439 1.362 0 40 FDAB Cc1cc(F)ccc1-n1cc(C(=O)N2CCC(O)(C(F)F)CC2)nn1 331182067 RTDJMMAOJQPEAX-UHFFFAOYSA-N 354.332 1.947 0 40 FDAB Cc1cc2c(NC[C@H]3CCn4ncc(C(=O)NC(C)C)c4C3)nccn2n1 579466238 CEPZRSPLIQAJNG-AWEZNQCLSA-N 367.457 2.047 0 40 FDAB CC(C)(C)C(=O)Cn1cc(C(=O)Nc2c[nH]nc2-c2nccs2)nn1 579432759 RTXMJNICZVUBRP-UHFFFAOYSA-N 359.415 1.992 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96041036 FDGMSBNGTCJMQS-SNRMKQJTSA-N 359.470 1.698 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(CCN(C)C)C2 96055934 ADNPPQBPSPXRMQ-ICSRJNTNSA-N 363.502 1.918 0 40 FDAB CCc1cnc(N2CCC3(CCN(C(=O)c4cnccn4)CC3)C2)nc1 96157655 LQVONWMAIQZMKW-UHFFFAOYSA-N 352.442 1.962 0 40 FDAB Cc1cc(C(=O)N2CC3(CC[C@H](CN4CCOCC4)CO3)C2)cc(C)n1 247878205 PSMXFEMPFYJJOC-QGZVFWFLSA-N 359.470 1.652 0 40 FDAB c1cc2c(cc1CN1CC3(CC[C@H](CN4CCOCC4)CO3)C1)OCO2 248332747 JEHJSZHZXKDAKZ-QGZVFWFLSA-N 360.454 1.729 0 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40 FDAB COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C4CCC3CC4)cc2)[nH]1 603625403 QZOJTHUKUHCGBC-UHFFFAOYSA-N 355.394 1.648 0 40 FDAB Cn1nnc2c1CC[C@@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2 656220061 GLAZVUXCFWJIDD-SNVBAGLBSA-N 358.427 1.131 0 40 FDAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)CCn2nnnc2C)C1 585276926 QEGVETBCAUJYPH-SFHVURJKSA-N 359.430 1.377 0 40 FDAB Cc1cc(CN2CCC[C@@]3(C2)CN(c2ccc(=O)n(C)c2)C3=O)n(C)n1 585099628 SPAYKORWGIJUEC-LJQANCHMSA-N 355.442 1.056 0 40 FDAB CCn1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 12325299 JHWRUHGWUNZKQZ-JJTKIYQPSA-N 357.458 1.326 0 40 FDAB O=C(CN1C(=O)CSc2ccccc21)N1CCN(c2ccccn2)CC1 14248115 ZOGPGTRDHFXQHF-UHFFFAOYSA-N 368.462 1.869 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(OC)cc2)cc1 19173172 DXAYIMCKEPFHRE-UHFFFAOYSA-N 362.451 1.852 0 40 FDAB O=C(COC[C@@H]1CCCO1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19292276 WSVJXUMIHFKFDE-RDJZCZTQSA-N 360.458 1.372 0 40 FDAB O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)Nc1nccs1 19345614 AZYGBLLPHMPZNX-UHFFFAOYSA-N 361.423 1.794 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500711 VLEIQZZQYNRKKM-HNSFDTNUSA-N 364.829 1.927 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCO1 10865302 WHOJJGJQVJQMJD-FZMZJTMJSA-N 364.423 1.280 0 40 FDAB COc1ccc2cc(CN3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c(OC)nc2c1 19575876 GGOTXWHGMHZEHJ-RRQGHBQHSA-N 357.454 1.891 0 40 FDAB NC(=O)C[C@H]1CCN(C(=O)c2cnn3c(-c4cccs4)ccnc23)C1 585085582 NBJMDZSJDDAAJD-LLVKDONJSA-N 355.423 1.795 0 40 FDAB CSc1nc(C)c(C)c(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888890323 YGWGPUHSILYZRO-UHFFFAOYSA-N 370.486 1.819 0 40 FDAB Cn1cnnc1SCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 29616473 QVVIZHBKQVDHDT-UHFFFAOYSA-N 365.890 1.905 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnc3ncccn23)C1 1775959133 JEOJXHCNABMJBZ-KRWDZBQOSA-N 356.455 1.732 0 40 FDAB O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1 28048479 QFMFYDYACBTMIQ-UHFFFAOYSA-N 365.437 1.675 0 40 FDAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cccc(Cl)n4)C3)CC2=O)cn1 1565554062 QMNFNDZDKDLNTH-KRWDZBQOSA-N 359.817 1.738 0 40 FDAB COC(=O)Cn1ncc(N2C[C@H](C)C[C@@H](C)C2)c(Br)c1=O 12417576 MNBBFEZATNQOCD-NXEZZACHSA-N 358.236 1.661 0 40 FDAB O=C(NC[C@@H]1Cc2c(C(=O)Nc3ccccc3)n[nH]c2CO1)c1cc[nH]n1 2055756333 CSDAXALXJQNVPE-LBPRGKRZSA-N 366.381 1.256 0 40 FDAB CN1CCN([C@@H](CNC(=O)c2ccco2)c2ccc3c(c2)OCO3)CC1 22577286 ALJUHSPDULNZCC-HNNXBMFYSA-N 357.410 1.727 0 40 FDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](O)Cn1ccccc1=O 206889525 MSDLKCLAYPQIAA-OAHLLOKOSA-N 370.384 1.179 0 40 FDAB Cc1nnc2ccc(N3CC(Cn4nc(C(C)(C)C)ccc4=O)C3)nn12 585603009 VVJFSSXTPMKAHB-UHFFFAOYSA-N 353.430 1.423 0 40 FDAB Cc1cc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)nc(N2CCOCC2)n1 2298180921 LUNSSDMIFBMDLP-IRXDYDNUSA-N 361.490 1.047 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 6669514 UROUHZNCYQHZAL-XLSPSMHOSA-N 353.422 1.422 0 40 FDAB O=C1CN(C(=O)CN2CCN(c3nccs3)CC2)c2ccccc2N1 40033509 OOYBEMSJOMKLLK-UHFFFAOYSA-N 357.439 1.250 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 3907503 CRVOBFHHQZNQME-UHFFFAOYSA-N 366.439 1.535 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 6327889 DMZPAMPEXNHRGV-UHFFFAOYSA-N 372.487 1.683 0 40 FDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 7248494 YMRAVXAORDVSFL-GFCCVEGCSA-N 351.877 1.928 0 40 FDAB CCOc1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 7708565 PATZJXYBIZLTCN-UHFFFAOYSA-N 356.425 1.534 0 40 FDAB COc1ccccc1C(=O)NCC(=O)NCC(=O)Nc1c(C)cccc1C 7984271 SPCLXGNYIHTELI-UHFFFAOYSA-N 369.421 1.797 0 40 FDAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 52823280 VBHNNLYTTQTIBO-DZGCQCFKSA-N 356.513 1.849 0 40 FDAB CS(=O)(=O)CCCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 103140976 PLTGZEIIEOHUSY-UHFFFAOYSA-N 359.879 1.820 0 40 FDAB Cn1cncc1CN1CCC2(CC1)C[C@H](NC(=O)c1ccco1)CCO2 108527777 XRKKTNWPMICATO-OAHLLOKOSA-N 358.442 1.957 0 40 FDAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc(C(=O)O)cc1 33509312 UAONDCCDMCXSCD-UHFFFAOYSA-N 351.156 1.948 0 40 FDAB Cn1c(NCc2ccnc(OC3CCCC3)c2)nc2c1c(=O)[nH]c(=O)n2C 53560688 AWHZFVDHGZFOSA-UHFFFAOYSA-N 370.413 1.289 0 40 FDAB CCC(=O)Nc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1 23173359 IKYVHYWLFXYVAN-UHFFFAOYSA-N 356.382 1.687 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 113943287 HOTHBVBFTJEMKQ-UHFFFAOYSA-N 354.472 1.792 0 40 FDAB CCc1ccc(CNc2nc3[nH]c(C)c(CC(=O)OC)c(=O)n3n2)cc1 100641669 AVRQYWYUGNVVOK-UHFFFAOYSA-N 355.398 1.616 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)CC1 106568523 NBKFXNMJBOYZBW-KRWDZBQOSA-N 373.501 1.117 0 40 FDAB CCOc1ccccc1N1CCN(C(=O)NCCN2CCOCC2)CC1 26182667 OPQXSZBBUDUIGR-UHFFFAOYSA-N 362.474 1.249 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)nn1 56986355 ZWJOYPQBLNEVJZ-HNNXBMFYSA-N 359.405 1.353 0 40 FDAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)c(OC)c2c1OCO2 35326576 IWLNIOIFSROZLH-GFCCVEGCSA-N 371.349 1.832 0 40 FDAB CCn1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1=O 57118911 OMZLLWHOXHBBFK-UHFFFAOYSA-N 364.427 1.233 0 40 FDAB CC(C)OC(=O)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 52975209 STXWVARYZSBQNU-HNNXBMFYSA-N 360.410 1.725 0 40 FDAB CCn1cnnc1CNC(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 58245209 MVBLVPUJJNWSHD-UHFFFAOYSA-N 370.335 1.798 0 40 FDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Br)cc4)C(=O)[C@H]13)O2 2146124 GJNUEPFYEZLHPP-LMOYCYGVSA-N 364.195 1.909 0 40 FDAB biogenic O=C(O[C@H]1CCOC1=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3332848 MGCJISUENYAHDZ-HNNXBMFYSA-N 350.330 1.858 0 40 FDAB COC(=O)CNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3447618 WRZFOPOTRFGJLX-UHFFFAOYSA-N 353.802 1.984 0 40 FDAB C[C@H](NC(N)=O)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3448250 CACUYYJHSYAORY-ZDUSSCGKSA-N 355.394 1.492 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(=O)NC1CCCCC1 3527625 YFEDAEOFJSEABL-UHFFFAOYSA-N 350.419 1.400 0 40 FDAB COCCNC(=O)Cn1cnc2scc(-c3ccc(OC)cc3)c2c1=O 14141108 AYRIEYQXJIGFLH-UHFFFAOYSA-N 373.434 1.896 0 40 FDAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 14235857 BSEFTHWJFUNAAN-KUHUBIRLSA-N 360.410 1.740 0 40 FDAB COc1ccc(C(=O)N2CCC(=O)CC2)cc1S(=O)(=O)N1CCCC1 6583128 DORYXDCWZWFHGZ-UHFFFAOYSA-N 366.439 1.285 0 40 FDAB O=C(COC(=O)/C=C/c1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 6643918 ZUWSODKUDXASKC-FYJFLYSWSA-N 357.815 1.200 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1-n1cncn1 6648592 QEKWUZXQUKQKGD-JTQLQIEISA-N 368.850 1.649 0 40 FDAB NCCNC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 6658030 FEZQPADYHZBVBP-UHFFFAOYSA-N 354.292 1.175 0 40 FDAB C[C@H](OC(=O)c1ccccc1NC(=O)CSc1nccn1C)C(N)=O 5755247 HPMDIWVMOSPBPB-JTQLQIEISA-N 362.411 1.182 0 40 FDAB CN1C(=O)C(=C(NCCc2cnc[nH]2)c2ccccc2)C(=O)N(C)C1=O 6909060 MPNPGMQIXHFTPR-UHFFFAOYSA-N 353.382 1.004 0 40 FDAB COc1ccc(CCn2c(=O)c3sccc3n3c(=O)[nH]nc23)cc1OC 67349547 ZXPSEPRNCWOBMB-UHFFFAOYSA-N 372.406 1.659 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3ccoc3C)n2C)CC1 7236467 TYVCFVHYJBKVLS-UHFFFAOYSA-N 363.443 1.166 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 8097236 YHJLDXJCMKYXBV-NWDGAFQWSA-N 367.471 1.042 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)NC(C)(C)C)n1 8204905 AHGUHTDXZOURDU-UHFFFAOYSA-N 354.476 1.188 0 40 FDAB CCNC(=O)c1cccc(NC(=O)COc2ccc(OCCO)cc2)c1 72311147 XUVOCKSFVJOKKO-UHFFFAOYSA-N 358.394 1.825 0 40 FDAB CCOC(=O)CCCS(=O)(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 84793420 SQACHUYQTUILNF-ZBFHGGJFSA-N 357.472 1.804 0 40 FDAB CC(C)(C)c1csc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 95410278 FNTHTHXBOSGVRK-CYBMUJFWSA-N 357.545 1.745 0 40 FDAB COC(=O)[C@@]1(NC(=O)c2cc(-c3cc(F)ccc3F)no2)CCOC1 88221731 YKRWTJGRZJKYBN-MRXNPFEDSA-N 352.293 1.682 0 40 FDAB O=C(NCCCOCc1ccco1)N1CCC[C@@H](N2CCNC2=O)C1 95945372 ZLUZPOXRIQDPMQ-CQSZACIVSA-N 350.419 1.386 0 40 FDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCC[C@@H]3CCC[C@H]3O)c(C)c12 89499587 PMMSVVPKEKXRBV-GOEBONIOSA-N 374.485 1.868 0 40 FDAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)cc2)n1 27970539 RIBQHKGKWHNCBL-UHFFFAOYSA-N 367.409 1.198 0 40 FDAB COc1ccccc1OCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 17114522 MZXFCGQAKTZMSW-UHFFFAOYSA-N 361.398 1.750 0 40 FDAB CC(=O)N1CCN(Cc2ccccc2NCc2nnnn2C2CC2)CC1 547699977 NWDBPWJBBFYTRS-UHFFFAOYSA-N 355.446 1.284 0 40 FDAB CN1CCC[C@@H]1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12 306128897 HNUYPIWCMMLDHR-QGZVFWFLSA-N 371.485 1.553 0 40 FDAB COC(=O)c1cc(I)ccc1N1CCN(C)CC1 39951639 NZJBSHWGRVHECD-UHFFFAOYSA-N 360.195 1.830 0 40 FDAB O=C(N1CCN(S(=O)(=O)c2ccccc2)C1)C(Cl)(Cl)Cl 1505838412 HXOZJUUSMQYKDW-UHFFFAOYSA-N 357.646 1.847 0 40 FDAB O=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CCc2c[nH]nc2C1 532336470 UEPILFIHZDVQRX-INIZCTEOSA-N 353.426 1.151 0 40 FDAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(S(C)(=O)=O)C3)n2)n1 72382482 UQYMQBIWVZBRFT-ZDUSSCGKSA-N 362.459 1.684 0 40 FDAB COc1ccc([C@@H](CC(=O)NCCN(C)C)c2oc(C)cc(=O)c2O)cc1 1547139318 NEMOFCOLINZQNV-MRXNPFEDSA-N 374.437 1.862 0 40 FDAB biogenic CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2noc(CC(C)C)n2)c1 31646437 KQSYZBUEBVSQFC-UHFFFAOYSA-N 368.459 1.509 0 40 FDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241364 UZJCHCKAJZXRDF-HOTGVXAUSA-N 354.834 1.781 0 40 FDAB O=C(CN1CCC(C(=O)NCCc2ccccc2F)CC1)NCC1CC1 40120637 VNISOYPESFBNQC-UHFFFAOYSA-N 361.461 1.723 0 40 FDAB Cc1noc([C@@H]2CCN(C(=O)NCc3cc4ccccc4n(C)c3=O)C2)n1 568946209 BYZYCOJZUXFXAC-CQSZACIVSA-N 367.409 1.929 0 40 FDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCOCC1 223940387 VAXJSCHRZWREOA-HNNXBMFYSA-N 356.444 1.099 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(c2ccnc3ccncc23)CC1 85689166 ZJAMNAGHQJOPLT-UHFFFAOYSA-N 364.471 1.507 0 40 FDAB Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cnn1-c1ccccn1 80304607 KIKFGWKWVANNHQ-KRWDZBQOSA-N 361.405 1.628 0 40 FDAB CC(C)OCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225947364 LIMVRSOCFNQUEK-OAHLLOKOSA-N 360.451 1.737 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)c1=O 77100090 HCBYWFPCRWASCJ-UHFFFAOYSA-N 363.333 1.325 0 40 FDAB CCOC[C@@H]1CN(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)CCO1 529079833 QWGKRDPKZXAHBS-JTQLQIEISA-N 352.420 1.506 0 40 FDAB Cc1ccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C)C2)cc1 575936999 NKOZQLFEKGRPDG-DZGCQCFKSA-N 363.487 1.728 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1ccccc1 96240078 KGMITOANYLSDIB-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB O=C(c1cnccn1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96049402 UIKLYRKSJNZXEU-UHFFFAOYSA-N 351.410 1.669 0 40 FDAB 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56865825 QPLQMGDXZYHUSK-CYBMUJFWSA-N 359.430 1.649 0 40 FDAB O=C(c1ccncc1F)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108532032 RVTORRJGVSDBQH-ROUUACIJSA-N 356.401 1.731 0 40 FDAB Cc1ccnc2nc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)nn12 57475839 DZBPFKAYOGBTJB-AWEZNQCLSA-N 354.414 1.983 0 40 FDAB O=C(c1c[nH]nc1-c1cccnc1)N1CCC(CN2CCOCC2)CC1 84425213 WHWAXZVVQDMMDC-UHFFFAOYSA-N 355.442 1.656 0 40 FDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 10662636 FNFPJOXJHYSULQ-UHFFFAOYSA-N 369.468 1.808 0 40 FDAB CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2cccs2)CC1 58754844 VIQAYFJTKWPMOI-UHFFFAOYSA-N 359.517 1.313 0 40 FDAB COc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1OCC(N)=O 48379720 PZPXRTXTBJGJGK-UHFFFAOYSA-N 372.377 1.779 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)cc2)cc1 11085796 NFZZUUAGCZVPRM-UHFFFAOYSA-N 363.391 1.738 0 40 FDAB COC(=O)C1=C(CSc2nnnn2C)N(C)C(=O)N[C@@H]1c1ccccc1 28965090 PAEFPMXGEIFUJW-CYBMUJFWSA-N 374.426 1.126 0 40 FDAB CCc1nnc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)s1 28963239 JJVHZYLFGYBUJS-UHFFFAOYSA-N 358.383 1.705 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1Cc2ccccc2O1 45935868 MIIBWTDRMXICTN-CQSZACIVSA-N 350.378 1.302 0 40 FDAB NC(=O)c1cc(NC(=O)CCc2nc(-c3ccccn3)no2)ccc1F 25145678 FWPVKTJOGPNCFD-UHFFFAOYSA-N 355.329 1.941 0 40 FDAB COc1ccccc1C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12855315 VBMCSGMHRUNQHW-STQMWFEESA-N 357.362 1.372 0 40 FDAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 12894249 NAAVESJQKSCUQG-CYBMUJFWSA-N 357.435 1.993 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N3CCc4[nH]c5ccccc5c4C3)cnc21 11982716 KUEVFPLXACTIAY-UHFFFAOYSA-N 362.393 1.196 0 40 FDAB CCCNC(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1 62605997 ISFBALGHBYNADP-UHFFFAOYSA-N 367.471 1.185 0 40 FDAB O=C(Cc1csc(-n2cccc2)n1)NCCc1nnc2ccccn12 95476371 GRPJABWIANMBOA-UHFFFAOYSA-N 352.423 1.878 0 40 FDAB CCc1cccc(CC)c1NC(=O)CN1C(=O)C(=O)N(CCOC)C1=O 14139411 KSHXCCBKDDGNCF-UHFFFAOYSA-N 361.398 1.187 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc2c1OCCO2 65610107 SAEAVPINHHKYBO-CQSZACIVSA-N 368.455 1.278 0 40 FDAB Cc1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)s1 71333972 QESFDDJSOCIISH-GFCCVEGCSA-N 374.470 1.705 0 40 FDAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCCO 6602275 SIJZJMPEWSMBRD-UHFFFAOYSA-N 362.451 1.376 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 5620987 WVUORSDYYMGCHE-UHFFFAOYSA-N 359.403 1.836 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccnc3)n2)cc1OC 4859029 ZFVJUQUYLFSPJS-UHFFFAOYSA-N 366.377 1.961 0 40 FDAB O=C(NCc1ccco1)c1nc(Cn2cc(Br)cn2)no1 15082476 GNEVKMPXKHCODE-UHFFFAOYSA-N 352.148 1.600 0 40 FDAB CC(C)(C)OC(=O)C1=C2CCCN2C(=O)/C(=C2/CCCN2)S1(=O)=O 67244900 IJIYDGGJFXWIJR-ZRDIBKRKSA-N 354.428 1.186 0 40 FDAB COc1cccc(CNC(=O)c2nsc(C(=O)N3CCCC3)c2N)c1 67246191 VGXTWLZFTBUXSP-UHFFFAOYSA-N 360.439 1.900 0 40 FDAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CCCC1 7134636 ZPLFFZQQLHCMOF-NSHDSACASA-N 357.501 1.871 0 40 FDAB O=C(NCc1ccccc1)c1ccccc1OCC(=O)N1CCNC1=O 9641614 LIKAINHJAGXTCH-UHFFFAOYSA-N 353.378 1.547 0 40 FDAB O=C(CN1C(=O)CSC1=O)Nc1ccc(N2CCOCC2)c(Cl)c1 7460745 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563947270 RDIGNJZUYBWBJW-SUMWQHHRSA-N 351.410 1.851 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44842447 YAEKZGAHZRABQB-INIZCTEOSA-N 350.484 1.940 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cccs2)n1 224184195 RROIXHXBUIGWSG-UHFFFAOYSA-N 354.457 1.162 0 40 FDAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 44842606 SMPHGRBPDQNXAK-UHFFFAOYSA-N 367.515 1.215 0 40 FDAB CCOC[C@H]1CN(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)CCO1 529079836 QWGKRDPKZXAHBS-SNVBAGLBSA-N 352.420 1.506 0 40 FDAB Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@@H]1[C@@H]3C[C@@H](CN21)c1cccc(=O)n1C3 575623597 IYAWTWNQFMZVBU-HXYMJUCXSA-N 351.406 1.680 0 40 FDAB CCn1c(=O)sc2cc(S(=O)(=O)NC3CCN(C)CC3)ccc21 225699323 PISIBHWCGIDOPH-UHFFFAOYSA-N 355.485 1.455 0 40 FDAB Cn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O 95480795 GGTRPXCFXOJHDJ-GFCCVEGCSA-N 366.377 1.514 0 40 FDAB Cn1cc(CN2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cn1 96050768 DINCONBUJKTDOV-LJQANCHMSA-N 354.410 1.778 0 40 FDAB O=S1(=O)CCN(Cc2cccnc2)[C@H]2CCN(c3ccncn3)CC[C@H]21 96251624 MGYZBYYPKTVNKR-DLBZAZTESA-N 373.482 1.140 0 40 FDAB Cn1cccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1=O 96380759 GUDQKAZTIGQQMI-UHFFFAOYSA-N 366.826 1.337 0 40 FDAB COC[C@H]1CC2(CCN(Cc3cccnc3)CC2)CN1S(C)(=O)=O 96219715 AEDJRCFUPICNNI-MRXNPFEDSA-N 353.488 1.344 0 40 FDAB O=S(=O)(c1ccccc1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247300348 DUMPKFTYPDHFJC-OAHLLOKOSA-N 374.466 1.758 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(O)c2)c2c(O)n[nH]c2C[C@]1(C)O 248146220 WWEOPSIWOFOHFC-YEWWUXTCSA-N 362.382 1.448 0 40 FDAB CCn1nc(C)c(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)c1C 257237403 HGHHNVXGIULDKV-QZTJIDSGSA-N 359.426 1.842 0 40 FDAB Cc1noc(C)c1C(=O)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 251921255 ARWNEPWGVOUWMB-AWEZNQCLSA-N 357.414 1.815 0 40 FDAB CCc1[nH]ncc1C(=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257324544 WPEYMUPAPNPXOW-ZMZPIMSZSA-N 373.413 1.782 0 40 FDAB CCC[C@]1(CO)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 278117980 LKGQPCZXJUNAIN-IUODEOHRSA-N 360.501 1.569 0 40 FDAB CCn1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)cc1=O 91706641 MKPXZDAJPSIIPG-DLBZAZTESA-N 370.405 1.817 0 40 FDAB C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@H](O)c1ccccc1F 1137285581 YEUIGYILVUGMMX-KNXALSJPSA-N 352.406 1.031 0 40 FDAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cncs3)cc2NC1=O 585281406 IZXSXADGBPMEOY-JTQLQIEISA-N 367.408 1.371 0 40 FDAB Cn1nnc2c1[C@@H](COCCN1CCCC1)CN(C(=O)C1(F)CCC1)C2 585110760 CDFUQSQZNOLDFO-CQSZACIVSA-N 365.453 1.246 0 40 FDAB O=C(CCCn1ccnc1)N1CCOC[C@](O)(COc2ccccc2)C1 585271978 JHVUNCGYFJGMMV-IBGZPJMESA-N 359.426 1.332 0 40 FDAB CN(C)C(=O)[C@H]1CC(=O)N(C2CN(Cc3cc4c(F)cccc4[nH]3)C2)C1 685940663 FGXGBDCYELGBHD-LBPRGKRZSA-N 358.417 1.428 0 40 FDAB Cc1nc([C@@H]2OCC[C@@H]2NS(=O)(=O)CCc2ccccc2F)n[nH]1 685940607 DLJAAMDBZHWKHA-UONOGXRCSA-N 354.407 1.244 0 40 FDAB Cc1nn(C)c(=O)c(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1C 30817551 BTXUKFNGCIXXRA-SFHVURJKSA-N 369.421 1.821 0 40 FDAB COc1ccc([C@@H]2[C@@H](CNC(=O)NCCc3nccn3C)CCN2C)cc1 1775996470 ZRJMYQQKFUPEMV-VQIMIIECSA-N 371.485 1.963 0 40 FDAB COc1coc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1=O 684949458 FTIHBJZBKBNFDQ-LBPRGKRZSA-N 354.366 1.711 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(Cc2ccccc2)nn1 901214595 BORIBBZKNUTQTP-HNNXBMFYSA-N 357.439 1.682 0 40 FDAB O=C1OC2(CN(Cc3cccnc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162103 NRRXEBXPCMTXDY-IBGZPJMESA-N 364.449 1.973 0 40 FDAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)CC[C@@H]1NC(=O)NC1=O 12229457 VKZIBDCRSXEQPY-KBPBESRZSA-N 372.450 1.840 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1-n1cnnn1 12390847 WBYTYDRCYMGMDN-UHFFFAOYSA-N 352.354 1.882 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)[C@@H](C)N1CCCC1=O 13226864 SAEIIGQQKMFAHB-VNHYZAJKSA-N 353.426 1.637 0 40 FDAB O=C(NCc1ccccc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850939 LQHNCNMPXQNKSC-AWEZNQCLSA-N 359.451 1.661 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3C[C@H]3C)[nH]c(=O)c2C1 19463401 VIPNPUPGAQMCFP-PVXIVEMSSA-N 358.442 1.384 0 40 FDAB C[C@@H]1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CC[C@H]1O 19497760 MQGHKLWIBFAJMY-OQKQTVMUSA-N 372.465 1.967 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 244986170 JIWBKCZQIKDILI-PVAVHDDUSA-N 367.467 1.475 0 40 FDAB O=C(C1CCOCC1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888853344 HBXHTTASUHKVLW-UHFFFAOYSA-N 350.394 1.274 0 40 FDAB CCc1nc(N2C[C@H]3CN(c4nc(C)ns4)C[C@H]3C2)nc(O)c1F 1888854010 RUELRONENKTAKD-AOOOYVTPSA-N 350.423 1.616 0 40 FDAB Cc1cc2ncnc(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)c2[nH]1 1888890478 AFPZWZQJCPZWME-HUUCEWRRSA-N 361.405 1.888 0 40 FDAB CN(Cc1ccc(Br)s1)C(=O)Cn1ccc(=O)[nH]c1=O 24396770 OUEBPVVQIZUCFL-UHFFFAOYSA-N 358.217 1.019 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)Cn3ncccc3=O)C[C@@H]2c2ccccc2)n1 253473199 SOJFTNGBWUAPCW-HZPDHXFCSA-N 365.393 1.345 0 40 FDAB Cc1nocc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565541771 WYZLOWAYTCXOTR-SCLBCKFNSA-N 356.382 1.035 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 1565542963 NEYUUVVBVDBAAS-XQPJFTJZSA-N 372.465 1.888 0 40 FDAB O=C(c1csnn1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565554939 LILPKPAAAVKEDN-NUEKZKHPSA-N 360.439 1.770 0 40 FDAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565553354 VIAOTUCLTFNYGQ-UHFFFAOYSA-N 362.459 1.557 0 40 FDAB CCCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 4061650 RMABTTKRJLXAMO-UHFFFAOYSA-N 357.439 1.667 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4305875 HQCFYIWPJDOPLB-UHFFFAOYSA-N 350.378 1.172 0 40 FDAB Cc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NC1CC1 9827467 JICZVTOLDNPRPX-UHFFFAOYSA-N 374.466 1.693 0 40 FDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1F 9827399 XGTMRUZJDYNNEW-UHFFFAOYSA-N 366.418 1.381 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C(N)=O)oc3ccccc23)C1 13790256 QFDGPEMJXYBTOW-JTQLQIEISA-N 365.411 1.142 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C(C)(C)C)C2 2055812500 AYYYMHJRZDRYCT-SFHVURJKSA-N 363.483 1.960 0 40 FDAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1ccon1 43941882 QCBHIFYCPCBVEM-UHFFFAOYSA-N 372.381 1.640 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(S(N)(=O)=O)c1 24580857 LWYKDZYTTIUUKP-UHFFFAOYSA-N 368.842 1.991 0 40 FDAB CCNC(=O)CN1CCN([C@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20745612 LUKVELDMZLPVDP-SFHVURJKSA-N 358.442 1.356 0 40 FDAB Cn1ncc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C(=O)NCc1ccco1 101592438 LCQUJGWHPFNPDI-BETUJISGSA-N 356.382 1.623 0 40 FDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(Cc2ccccc2)CC1 21005431 KLPVCMAUHNKWRT-UHFFFAOYSA-N 366.421 1.793 0 40 FDAB O=C(NC1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1)c1ccccc1 32860399 FNHZKUMCEBOYRR-OALUTQOASA-N 362.470 1.437 0 40 FDAB CCCn1nc(C(=O)N[C@H](c2ccccc2)c2nccn2C)ccc1=O 32841818 MWOXFMUZJNOENX-QGZVFWFLSA-N 351.410 1.906 0 40 FDAB CN(CC(=O)NCCCOCc1ccco1)S(=O)(=O)c1cccs1 54535559 FHVLLVIUUWYWTP-UHFFFAOYSA-N 372.468 1.685 0 40 FDAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)NC(N)=O)s2)c1 3601424 KLKQFDSNDFLULO-SSDOTTSWSA-N 353.429 1.966 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@@H]([C@H](C)C(=O)[C@@H](C)[C@@H]3c3ccco3)[C@]23C=C[C@H]1O3 4041325 VEGDJTLZYKPHPF-GRSGEGGYSA-N 371.389 1.499 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCN(c2ncccn2)C1 24634991 XCYHIWNCSADDBG-INIZCTEOSA-N 363.425 1.972 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NCc1cccs1 4967244 WXAPMLDDOMXXFO-GFCCVEGCSA-N 374.418 1.722 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 102303531 TXOXZPIGFGMWIT-JONQDZQNSA-N 364.829 1.867 0 40 FDAB CC(=O)N1CCC(NC(=O)CN2CCN(C)C[C@H]2c2ccccc2)CC1 108057031 NYQGEXHJCFAIKV-IBGZPJMESA-N 358.486 1.102 0 40 FDAB Cc1c(OCC(=O)NCCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2129653 VREQNJKNLFSJKH-UHFFFAOYSA-N 359.378 1.950 0 40 FDAB biogenic C[n+]1cccc(C(=O)NCCCCCCNC(=O)c2ccc[n+](C)c2)c1 20293517 FMAFKFYBTYNNFQ-UHFFFAOYSA-P 356.470 1.056 0 40 FDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)NCCCSc1ccccc1 58344119 UFDLYMCQQCEXHA-CQSZACIVSA-N 357.497 1.879 0 40 FDAB Cc1c(C(=O)N2CC(=O)Nc3ccccc32)sc2ncn(C)c(=O)c12 12767369 DHBWOKUYULXCGJ-UHFFFAOYSA-N 354.391 1.902 0 40 FDAB C[C@H]1CCc2c(sc3c2-c2ncnn2-c2nnc(SCC(N)=O)n2-3)C1 2452032 VZMQRZZVODZYEU-ZETCQYMHSA-N 373.467 1.592 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccccc1 100748333 UHLFESIZBNNHMZ-SCMJLYPYSA-N 365.385 1.466 0 40 FDAB Cc1cc(C)n(CCC(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 11594123 ROFZCTPHNFQKRA-AWEZNQCLSA-N 370.409 1.807 0 40 FDAB Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)CC2 171339489 GVWSUBMJBLRZII-DVOMOZLQSA-N 370.457 1.340 0 40 FDAB C[C@H](C(=O)Nc1ccccc1I)N1CCCNCC1 64875973 NJEFWAMISYBPOD-LLVKDONJSA-N 373.238 1.914 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)nc2c1 101353544 ZTKYSQQEFVALOZ-JCKZUZKGSA-N 358.375 1.676 0 40 FDAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N 3438635 GUWAKMINTJJVIB-UHFFFAOYSA-N 352.395 1.124 0 40 FDAB COc1ccc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)cc1F 12918051 FBFPBEGKNUMCGI-UHFFFAOYSA-N 373.432 1.405 0 40 FDAB C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 12979628 UUPDJFHVXGUSAA-RHSMWYFYSA-N 370.405 1.941 0 40 FDAB COC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 3903521 ZDBRIPNGYGPMKT-GGXPGOJBSA-N 363.410 1.138 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13495644 QJKHQGWBQCVPJU-TXEJJXNPSA-N 366.414 1.538 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 14185794 YNCDZKAFMZUBDV-MRXNPFEDSA-N 366.483 1.563 0 40 FDAB O=C1COc2ccc(-c3csc(CC(=O)N4CCOCC4)n3)cc2N1 14117019 YPDHTIMOVFEPMQ-UHFFFAOYSA-N 359.407 1.542 0 40 FDAB Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 93454984 OOAGRIXSPRXWMF-SFHVURJKSA-N 352.442 1.946 0 40 FDAB Cc1c(C)n(Cc2cccnc2)c2ncn(CCN3CCOCC3)c(=N)c12 6669632 NICNOPSORDIRGR-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB O=C1c2ccccc2C(=O)N1c1cc(=O)[nH]c2nc(-c3cccnc3)nn12 9348913 LGYBIUNFEIJWEI-UHFFFAOYSA-N 358.317 1.280 0 40 FDAB CC(C)Cc1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n[nH]1 96232067 FCFVQFZXRNUIOG-ZDUSSCGKSA-N 370.413 1.452 0 40 FDAB Cn1c(=O)c2c(ncn2CCC(=O)NC2CCCCCCC2)n(C)c1=O 4943445 WAXMJFCAMGDKJL-UHFFFAOYSA-N 361.446 1.053 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 80294309 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COc1ccc(CCNS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 223294907 AJDVPOUFQWNEQK-UHFFFAOYSA-N 364.423 1.080 0 40 FDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 223320505 AYIRBKYYGDGMKE-UHFFFAOYSA-N 362.363 1.637 0 40 FDAB COC(=O)c1nc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)sc1C 96118560 DVEICPDANSCKRS-UHFFFAOYSA-N 374.378 1.694 0 40 FDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)NCc2ccccc2)Cc2cncn2C1 96260687 WUYDLKHVIBFXQP-QGZVFWFLSA-N 367.453 1.751 0 40 FDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccnnc2)O1 96057561 ISLJLGOBMIYICW-BZUAXINKSA-N 356.382 1.148 0 40 FDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCCO1 96057290 GKZUDIXMJKTIQN-KFWWJZLASA-N 351.472 1.782 0 40 FDAB COCC(=O)N1CCC2(CC1)CC1(CCN(CC(C)C)CC1)C(=O)N2C 96143673 ZUHYWMGAQQEOIO-UHFFFAOYSA-N 365.518 1.594 0 40 FDAB CN(Cc1ccccn1)C(=O)C[C@H]1CN(C2CCOCC2)Cc2ccnn21 248130826 QHADYOKLFZPWKZ-IBGZPJMESA-N 369.469 1.863 0 40 FDAB O=C(NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)C1CC1 247459483 AIGVJFMZDCJQNK-MRXNPFEDSA-N 354.410 1.695 0 40 FDAB CN(C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 604382592 TZKUVSOSWOTYNT-NCXUSEDFSA-N 357.454 1.518 0 40 FDAB biogenic,in-vitro COCCNC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)c1 520812680 DIQPMZUANBBXIS-WFASDCNBSA-N 363.414 1.637 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3C(=O)c3cnccn3)ccnc12 257326305 WWSBHYJLRAWOQE-CQSZACIVSA-N 365.397 1.198 0 40 FDAB O=C(/C=C/c1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257203844 ARXKISKQTFBKOR-IDOMTICXSA-N 351.397 1.789 0 40 FDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)CCc2ccnn2C)n1 257343082 ZRKMCZWWADSIGK-OAHLLOKOSA-N 358.446 1.117 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)cn1 253472941 QRVFGMDTYGBQQA-AWEZNQCLSA-N 353.425 1.289 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)Cc1c(C)noc1C 675481405 DNNUYNGITGYLNI-QMTHXVAHSA-N 362.434 1.795 0 40 FDAB c1cc(N2CCOCC2)nc(NCc2ccc(CN3CCOCC3)cc2)n1 676304636 GDMFCPYUJRXMRH-UHFFFAOYSA-N 369.469 1.758 0 40 FDAB CCOCCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1[C@@H]2CCCC[C@@H]12 1775993415 ZZTKMFDFZLRIIH-YLFCFFPRSA-N 364.486 1.678 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCC[C@H](O)c1ccc2c(c1)OCO2 90612521 QJNNSPLYGIRIGL-AWEZNQCLSA-N 370.361 1.563 0 40 FDAB COc1ccc(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cn1 390826382 JNGBHASMAOJESQ-UHFFFAOYSA-N 367.413 1.235 0 40 FDAB Cn1nnc2c1CC[C@H](Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2 656220060 GLAZVUXCFWJIDD-JTQLQIEISA-N 358.427 1.131 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1ccccc1C(F)(F)F 575607122 YKJFTAGKFIDNJX-UHFFFAOYSA-N 358.316 1.601 0 40 FDAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccncc4)CC3)[C@H]2C1 585106335 XFHQGUZMAOZQFM-SJORKVTESA-N 356.470 1.534 0 40 FDAB Cc1ncoc1C(=O)N1CC2(C[C@H](COCc3ccncc3)CN2C)C1 585093916 PGRUKGLNECWPIF-INIZCTEOSA-N 356.426 1.741 0 40 FDAB CO[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1Cc1cccc(F)c1 585277351 SNTGRXVWBZPPAZ-AEFFLSMTSA-N 350.434 1.564 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncc(F)cn4)CC3)nn2)n1 273459365 GCDNPRATJPYNIF-UHFFFAOYSA-N 354.393 1.535 0 40 FDAB CSCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 75157644 GGNKHABGIBCMDC-INIZCTEOSA-N 354.428 1.017 0 40 FDAB O=C(COc1ccc(F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 85473348 WMYIYKMLBFARCO-INIZCTEOSA-N 368.474 1.871 0 40 FDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1c[nH]c2cccc(F)c12 90419680 FGTGHXDTFLLVOM-DYVFJYSZSA-N 361.417 1.774 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161129 VLICPSDRXOUKDE-LJQANCHMSA-N 354.410 1.308 0 40 FDAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)ccc1O 12144527 HPQNIXLIWVIYMT-BDJLRTHQSA-N 359.382 1.030 0 40 FDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CCn1nccc1C)CC3 12253300 IXGQCXZNIKFLMA-UHFFFAOYSA-N 371.466 1.746 0 40 FDAB O=C(c1cnc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1 16383526 BRDQNENHRQLVPS-UHFFFAOYSA-N 366.468 1.504 0 40 FDAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011602 WBJILZMLKKFEFW-CQSZACIVSA-N 351.403 1.871 0 40 FDAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)on1 17336378 HMAZZOIZWDFAHL-UHFFFAOYSA-N 351.384 1.256 0 40 FDAB O=C(C1CC1)N1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)nc(O)c2C1 19015097 BQVWNDVVXSIQHC-ZDUSSCGKSA-N 356.426 1.203 0 40 FDAB C[C@H](C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1)N1CCCC1=O 19080228 URBGFJTVNXYBGH-CQSZACIVSA-N 367.453 1.950 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)C1=O 19460025 AROZWQHRUVMKKX-CQSZACIVSA-N 372.450 1.874 0 40 FDAB CCn1cc(NC(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)cn1 19746400 JBGKVHUGEGOXFL-UHFFFAOYSA-N 357.414 1.376 0 40 FDAB Cn1c(N)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)sc1=S 207894691 VEFKGBKQCVDHFH-VHSXEESVSA-N 362.480 1.819 0 40 FDAB COc1c(C)cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1C 647930056 NAOHNWSBUCFWHR-OAHLLOKOSA-N 364.423 1.681 0 40 FDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 5629301 FJCVBKSKQXCVJP-UHFFFAOYSA-N 353.378 1.757 0 40 FDAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)C1CC(O)C1)CCC2 1565554405 ZAYLXUHTKLEJSM-UHFFFAOYSA-N 368.437 1.316 0 40 FDAB CC(C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570189 VHZVDVBVSMSJEN-UHFFFAOYSA-N 353.488 1.301 0 40 FDAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(F)c1)c(=O)n2C 9571849 FETJHSDGMWARTB-UHFFFAOYSA-N 372.356 1.272 0 40 FDAB O=C(NCc1ccncc1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 9708744 RYAYKCYDUYFDAL-UHFFFAOYSA-N 364.405 1.562 0 40 FDAB Cc1cc(C(=O)NCCn2ncc3c(N4CCCCCC4)ncnc32)no1 17014123 WPRHEGXWKIABNM-UHFFFAOYSA-N 369.429 1.933 0 40 FDAB O=C(NCc1nc(C2CCOCC2)no1)c1cnn(-c2ccccc2)n1 575619014 ZFWDVBQNVPKIGA-UHFFFAOYSA-N 354.370 1.474 0 40 FDAB O=c1cc2c(nn1CC1CN(c3ncc(Br)cn3)C1)CCC2 585603834 LYLVGDLBDQWTJZ-UHFFFAOYSA-N 362.231 1.421 0 40 FDAB Cc1nc2ccc(N3CCN([C@H]4CCN(C(C)C)C4=O)CC3)nn2c1C 2298043489 ZYCTXDYHGUQGOY-INIZCTEOSA-N 356.474 1.477 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)NCCc3cccc(F)c3)ccc2c1=O 40149046 CABHSZKFCPMNPR-UHFFFAOYSA-N 355.369 1.821 0 40 FDAB CS(=O)(=O)Nc1ccccc1CNC(=O)CCNC(=O)C1CCCC1 40107026 XSXAEMCPNPQBRR-UHFFFAOYSA-N 367.471 1.371 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)no3)CC2)cc1 22245794 AYJSVWRQDVSFMY-UHFFFAOYSA-N 365.455 1.888 0 40 FDAB Cc1cc(NC(=O)CN2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)no1 22916828 SGUOSZRKIXHXCC-ZDUSSCGKSA-N 362.434 1.807 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)cc1 4986821 AREQGYLVJCGJFM-AEFFLSMTSA-N 369.421 1.979 0 40 FDAB CSCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8195521 DCVFRGUIBIZWIR-UHFFFAOYSA-N 352.441 1.969 0 40 FDAB NC(=O)N[C@@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 27133597 LQCCLBPJOWBDIL-NSHDSACASA-N 365.484 1.653 0 40 FDAB CNC(=O)c1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2ccccc12 12737425 HNDGLNSSJJXWSY-DOMZBBRYSA-N 356.426 1.451 0 40 FDAB Cc1[nH]c(C(=O)NCCCN2CCOCC2)c(C)c1C(=O)OC(C)C 27689335 WZCUQSCSJGMGOP-UHFFFAOYSA-N 351.447 1.649 0 40 FDAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(C)=O)C2)cc1 58215619 PPZPJPLRJAJPOT-QAPCUYQASA-N 373.453 1.883 0 40 FDAB C[C@@H]1CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCO1 58210716 XVGIAVSEXXWBKS-MRXNPFEDSA-N 363.458 1.328 0 40 FDAB Cc1cc(S(=O)(=O)N2CCCN(C(N)=O)CC2)ccc1OC(C)C 58328510 RGJGOBLFOMTYHN-UHFFFAOYSA-N 355.460 1.557 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 27970885 XMCMTSNMHSSFRJ-UHFFFAOYSA-N 360.451 1.948 0 40 FDAB O=C(CCCNC(=O)c1ccccc1)OCc1cc(=O)n2ccccc2n1 28139934 FKBZAAYMCXPIJR-UHFFFAOYSA-N 365.389 1.948 0 40 FDAB Cc1csc(=O)n1CCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 10805815 PTXUCESGCUBVOI-QGZVFWFLSA-N 374.422 1.107 0 40 FDAB O=C(NCCn1nnn(-c2cccs2)c1=O)[C@H]1C[C@@H]2C=C[C@@H]1C21CC1 100189832 ZYHGBFXNNVTIAA-AVGNSLFASA-N 357.439 1.209 0 40 FDAB CN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619299 CYBNNZZGQAXIRE-UHFFFAOYSA-N 365.372 1.936 0 40 FDAB O=c1c(NCc2ccccn2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101695795 XTUHZTBUDUCKRM-UHFFFAOYSA-N 362.433 1.612 0 40 FDAB NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 29143094 ZCZLQNPVKLGIND-AWEZNQCLSA-N 355.369 1.594 0 40 FDAB COc1ncccc1C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29363293 AXAOIMYOCSJVFJ-HNNXBMFYSA-N 360.458 1.249 0 40 FDAB O=C(Cn1nnc(-c2ccccc2Br)n1)NCC(F)(F)F 3405617 SFKYTXRCJBZHMW-UHFFFAOYSA-N 364.125 1.781 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)O 12941220 HWUJZSZIGCXQQE-ABAIWWIYSA-N 368.455 1.628 0 40 FDAB CC(C)N1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148078 LWTZSMALIIGSLA-UHFFFAOYSA-N 352.398 1.066 0 40 FDAB CCn1cc(C(=O)N2CCC(C(=O)O)CC2)c(=O)c2cc3c(cc21)OCO3 6645565 BUCNQWAGTYWBBK-UHFFFAOYSA-N 372.377 1.687 0 40 FDAB CCOCCCN1C(=O)[C@H]2Cc3cc(OC)c(OC)cc3CN2C1=S 4761371 PEFJDCWIMTTYLU-CQSZACIVSA-N 364.467 1.984 0 40 FDAB O=C(CCN1CCN(C(=O)Cc2ccccc2F)CC1)NC1CCCC1 66867409 PKAZPIFQWQMSCI-UHFFFAOYSA-N 361.461 1.961 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1 4935145 IZNAPFAQXOOOQO-UHFFFAOYSA-N 351.362 1.256 0 40 FDAB O=C1OCC[C@@H]1Sc1nnc(N2CCOCC2)n1Cc1ccccc1 7073154 ABEFVKKSNBQLRW-AWEZNQCLSA-N 360.439 1.571 0 40 FDAB Cc1ccc(OCC(=O)N(C)CC(=O)NC2CC2)c(Br)c1 7545358 URLSUDYSEORYRK-UHFFFAOYSA-N 355.232 1.873 0 40 FDAB Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 7777813 VUCQFHNHFSEQCK-UONOGXRCSA-N 356.444 1.029 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(=O)oc2ccccc21 8313555 DFWQNBBSUXFOJR-ZDUSSCGKSA-N 354.362 1.893 0 40 FDAB O=C(NCCCc1nnc2ccccn12)c1cnc2sccn2c1=O 72404965 WYICQEBVCMMKLQ-UHFFFAOYSA-N 354.395 1.161 0 40 FDAB O=C(O)CN1C(=O)N/C(=C/c2cccc(I)c2)C1=O 408592635 NCIXFLDVYDYREK-WEVVVXLNSA-N 372.118 1.269 0 40 FDAB CCc1ccc(-n2c(O)nc3nc(N4CCSCC4)ncc3c2=O)cc1 67264249 WNWSPUCYLCZWOK-UHFFFAOYSA-N 369.450 1.997 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2c(F)cccc2F)cc1 32754756 TXRGOIYDDLZDFD-UHFFFAOYSA-N 354.378 1.982 0 40 FDAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2S(C)(=O)=O)n1 72360242 JMINQQHZHXKLGL-LLVKDONJSA-N 354.461 1.785 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 32125482 NWIQAZVQQALPMD-CZPYZCIJSA-N 353.296 1.901 0 40 FDAB O=C(CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12)NC1CC1 72327112 HDVKRDIJAVWLPI-UHFFFAOYSA-N 373.888 1.898 0 40 FDAB CCO[C@@]1(C)C[C@H]1NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 527942881 HAVVXVMYNXSSTE-LXZKKBNFSA-N 367.471 1.316 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C)cc2)s1 223246698 JCQNEMMODYURGN-UHFFFAOYSA-N 354.457 1.716 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCC3)ccc21 223056571 JQDDQJZUFYQHFI-UHFFFAOYSA-N 365.499 1.750 0 40 FDAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 222605154 ATIHUVKHEYAPRJ-AWEZNQCLSA-N 368.455 1.782 0 40 FDAB COC(=O)Cc1nn(CC(=O)NCc2ccco2)c(=O)c2ccccc12 40384879 TYSHBQBTXLYFFB-UHFFFAOYSA-N 355.350 1.021 0 40 FDAB CN(C)C(=O)Cc1cccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)c1 41127025 PVYIUSRQDVTRBG-UHFFFAOYSA-N 372.454 1.114 0 40 FDAB COCCn1cc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)O)cn1 534144383 FHFBRASSNBQIOP-UHFFFAOYSA-N 357.363 1.476 0 40 FDAB Cn1ccnc1N1CCC(NS(=O)(=O)c2cccc3c2OCC3)CC1 577718452 AJZMNRFBILUHBL-UHFFFAOYSA-N 362.455 1.302 0 40 FDAB COC[C@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)N1S(C)(=O)=O 96209523 GFMQHBRWAKYACL-OAHLLOKOSA-N 356.488 1.384 0 40 FDAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(C(=O)c2cccnc2)CC1 96143516 FLMHEWVHRSFATD-DLBZAZTESA-N 356.470 1.390 0 40 FDAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]3C2=O)cc1 96245356 UAPIKSREGCAVPG-WBVHZDCISA-N 352.394 1.216 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1 96101320 ZFIOPVMKQOLSOG-UHFFFAOYSA-N 373.413 1.204 0 40 FDAB CN(C)[C@H]1CCN(C(=O)[C@@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 96147173 IUSKODJZYAYUPS-PXNSSMCTSA-N 367.497 1.682 0 40 FDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247971170 HROIWYRJVDGHDQ-INIZCTEOSA-N 372.425 1.274 0 40 FDAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)Cn1c(=O)n(C)c2ccccc21 257240185 HSMANCYLWYJLRE-PXNSSMCTSA-N 356.470 1.815 0 40 FDAB O=C(c1cccc2c1OCCO2)N1CCO[C@H](CCc2ccncn2)C1 257337046 YRDIWIOZODSLCZ-OAHLLOKOSA-N 355.394 1.722 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@@H]4[C@@H](C2)N(C=O)CC[C@]314 253504487 GKBIDJHSEALBDH-CDDAVODSSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro COc1ccccc1Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccn1 257228808 FVIWVXXRVHTKJD-KRWDZBQOSA-N 374.462 1.940 0 40 FDAB Cc1cnc(C(=O)N2CC3(C2)OCC[C@H]3COCc2cccc(C)n2)cn1 253601166 KXPSLUZGYXJARO-INIZCTEOSA-N 368.437 1.936 0 40 FDAB CN(C)Cc1cnc(CC2CCN(C(=O)CCn3ccnc3)CC2)cn1 257250643 JNKGVROTIXAJKW-UHFFFAOYSA-N 356.474 1.606 0 40 FDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccncc3)C2)ncn1 257201787 AJAZRVRBQFSNFL-CQSZACIVSA-N 353.426 1.668 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1cnco1 257223439 DXJAVZGFYDRBPO-LMSBXDPUSA-N 357.410 1.450 0 40 FDAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cccc(-c3nn[nH]n3)n2)c1 1605875456 NMGAGSFMWUKEHL-UHFFFAOYSA-N 373.398 1.194 0 40 FDAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)NCc1ccc(C2CC2)cc1F 644472264 BMOYUAUEUKHRRP-HNNXBMFYSA-N 354.447 1.438 0 40 FDAB O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cccc(-c2nc(=O)o[nH]2)c1 1141668283 BYENKWJMPXNWKU-ZFWWWQNUSA-N 353.334 1.254 0 40 FDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc(C2CC2)c1 656857670 OCZYXEVZRNBYAN-RDTXWAMCSA-N 353.426 1.925 0 40 FDAB CC(C)(C)NS(=O)(=O)CC(=O)Nc1cnc(-c2cccc(O)c2)nc1 598912020 NOCCYRAOKYLBFQ-UHFFFAOYSA-N 364.427 1.506 0 40 FDAB O=C(NC1COCCOC1)N1CCOc2cc(Br)ccc2C1 664944789 QGWPAANWFLCLER-UHFFFAOYSA-N 371.231 1.769 0 40 FDAB CN(CCN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)COc1cnn(C)c1 1615612384 XXGZMRIPBQRIDH-HRCADAONSA-N 362.474 1.542 0 40 FDAB Cc1nc([C@@H]2CN(C)CC23CN(C(=O)c2cc(C(C)C)n(C)n2)C3)n[nH]1 1775958354 UAIVXFDDYOUEOI-ZDUSSCGKSA-N 357.462 1.141 0 40 FDAB Cc1nc([C@H]2CN(C)CC23CN(C(=O)c2cccc4c2OCO4)C3)n[nH]1 1775958097 CUJRIMZNHHUMKU-CYBMUJFWSA-N 355.398 1.013 0 40 FDAB O=C(CN1CCOCC1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 585272012 JYNQRVZIPZBULJ-IRXDYDNUSA-N 352.862 1.567 0 40 FDAB Cc1nn(C)c(C)c1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O 585182033 LYVKILJQXZDXHL-CQSZACIVSA-N 351.476 1.891 0 40 FDAB COC[C@]1(CC(N)=O)CN(C(=O)Cc2ccc3ccccc3c2)CCO1 585278216 NKGJIDMPGPUPTJ-FQEVSTJZSA-N 356.422 1.502 0 40 FDAB O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CC=C(c2ccccc2F)C1 685943944 OZLSIOXEABYXRS-AWEZNQCLSA-N 357.385 1.920 0 40 FDAB COc1cc(=O)n(C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1775966098 PFGGNPDICXFJOT-UHFFFAOYSA-N 351.403 1.087 0 40 FDAB O=C([C@H]1CCOC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406893 XJACGCFESIDEPK-MROQNXINSA-N 355.389 1.544 0 40 FDAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(C(=O)c2ccco2)CC1 19446007 CUZIOINEBGDHKZ-OAHLLOKOSA-N 362.434 1.068 0 40 FDAB Cc1ccc(-c2cnc(NC(=O)CNS(=O)(=O)N(C)C)n2C)cc1C 19660865 MNOOVOXNVISDBL-UHFFFAOYSA-N 365.459 1.038 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(Cc2cnc3ccc(C)cn23)C1 643722707 PVXNFRSCRZKGKK-SFHVURJKSA-N 354.414 1.571 0 40 FDAB CCCCCNC(=O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 12917922 NYLKPYBJMMXVGG-UHFFFAOYSA-N 373.544 1.797 0 40 FDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)n1 1888888096 DXXMBAUUWMQVJZ-ZIAGYGMSSA-N 350.426 1.515 0 40 FDAB CCOC(=O)CCCNC(=O)Cn1cnc2c(oc3ccccc32)c1=O 24982078 FRXXNZBWIPLEEN-UHFFFAOYSA-N 357.366 1.602 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(I)cc1 389173409 JBBHISAMYXBGPK-KKOKHZNYSA-N 367.142 1.734 0 40 FDAB Cc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 1615101347 JJASGCUOVWVPHV-HXUWFJFHSA-N 367.453 1.292 0 40 FDAB Cc1noc(CC(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)n1 1565553583 FCMRLZSUSAQDAE-IXDOHACOSA-N 372.425 1.538 0 40 FDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 5351954 UERQVUDVFMBLRP-MRXNPFEDSA-N 361.442 1.883 0 40 FDAB O=C(COc1ccccc1F)NCCn1nc(-c2ccco2)ccc1=O 13604983 COTKJGZLAZEPMP-UHFFFAOYSA-N 357.341 1.838 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCOc2ccccc2)C1 2055771604 LNCBZPSEBBRAAB-HXUWFJFHSA-N 370.453 1.758 0 40 FDAB CCc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)cc1 22996925 NVEKNZBERXZGHW-KRWDZBQOSA-N 363.458 1.343 0 40 FDAB COC(=O)c1ccc(CSc2nnc(Cn3ccc(=O)[nH]c3=O)o2)cc1 21704302 PYXBQYIHCYTBFD-UHFFFAOYSA-N 374.378 1.047 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccccc2)CC1 5155782 SHNPJJZKLBEZSH-HNNXBMFYSA-N 351.472 1.813 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 31133234 CXCRUUCSLOIQIZ-UHFFFAOYSA-N 354.410 1.894 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1Cc1ccccn1 31206142 SXBREWVWBDHPPM-KRWDZBQOSA-N 364.449 1.779 0 40 FDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101709709 WJRQKUIGLOYRLP-KKUMJFAQSA-N 360.483 1.125 0 40 FDAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCC(=O)N2CCCC2)CC1 32716758 LPNDHEYALUCNMQ-UHFFFAOYSA-N 371.481 1.976 0 40 FDAB C[C@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@H](C)O1 21540456 MOXUVVLEHWCXIS-QWRGUYRKSA-N 351.472 1.774 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nnc(C(F)(F)F)s1 103194258 LYBFDKUYAROUQV-XRRXOLGASA-N 372.328 1.303 0 40 FDAB O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(F)cc1 12524852 FHRUHFWPCWVBQQ-UHFFFAOYSA-N 356.401 1.939 0 40 FDAB CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[C@@H]1S(C)(=O)=O 79110781 HDKWOZURGSJGEI-KBPBESRZSA-N 374.484 1.520 0 40 FDAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)c2ccccc2)CC1 23731382 BOQFXUPSDPIQOG-HNNXBMFYSA-N 352.481 1.788 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)NC(=O)CN2CCCCC2)cc1 3655991 JLAFGWYNLLFWNM-OAHLLOKOSA-N 353.488 1.264 0 40 FDAB CCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(F)cc1 24801470 PXKAMRRWCQYIJU-GFCCVEGCSA-N 351.403 1.491 0 40 FDAB Cc1cnc2c(S(=O)(=O)NCC(=O)NCC(F)(F)F)cccc2c1 56103817 FMWGAQOSETZDME-UHFFFAOYSA-N 361.345 1.500 0 40 FDAB CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 1838076 JAZDIQSNSBAPJM-UHFFFAOYSA-N 371.441 1.321 0 40 FDAB CCNS(=O)(=O)c1cccc(C(=O)NCCCn2nc(C)cc2C)c1 27508170 VSXZRZOKQHPQAI-UHFFFAOYSA-N 364.471 1.618 0 40 FDAB CCCCN(C(=O)CS(=O)(=O)c1n[nH]c(=O)n1CCC)[C@@H](C)CC 58174162 FOCCKEHBMLPSEI-LBPRGKRZSA-N 360.480 1.182 0 40 FDAB CCCn1c(N)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(=O)[nH]c1=O 58166904 ZYDHWDNCOODOPR-UHFFFAOYSA-N 364.833 1.497 0 40 FDAB CCNC(=O)C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCCCC1 58295513 LOYZGINYOFTRHW-CQSZACIVSA-N 361.442 1.583 0 40 FDAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 3356274 NVAQBOHURUEMRK-MRXNPFEDSA-N 361.442 1.174 0 40 FDAB CN1CCC(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)CC1 113964860 FTWUQZNUWBIQMK-UHFFFAOYSA-N 371.478 1.582 0 40 FDAB CC(C)CN(C(=O)CSc1cccc[n+]1[O-])[C@@H]1CCS(=O)(=O)C1 3420901 NAFIRAXMIQACIS-CYBMUJFWSA-N 358.485 1.084 0 40 FDAB C[C@@H]1C[C@@H](Sc2nnc(N3CCOCC3)n2Cc2ccccc2)C(=O)O1 12908674 UAPFBJDJCFBONM-UKRRQHHQSA-N 374.466 1.959 0 40 FDAB CN(C)Cc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)cs1 13313561 YKQNXQPYIBQTGH-UHFFFAOYSA-N 354.453 1.986 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H]1CCS(=O)(=O)C1 39998327 CTRZBYSDTUVEHC-HVHJFMEUSA-N 359.451 1.806 0 40 FDAB Cn1cccc1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4564300 INEUUNTWNOWOOJ-UHFFFAOYSA-N 359.338 1.301 0 40 FDAB O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCN(c2ncccn2)CC1 67283458 OAUDOICQSKLLSL-UHFFFAOYSA-N 369.816 1.673 0 40 FDAB CCCn1nc(C(=O)O[C@@H](C)C(=O)N2CCCC2)c2ccccc2c1=O 9453832 ZRFXPFRRTGAUPU-ZDUSSCGKSA-N 357.410 1.974 0 40 FDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCOc1ccc(Cl)cc1 7136724 FNPOHJATRUZYQH-UHFFFAOYSA-N 373.796 1.538 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)C1CC1 7289679 IRQCYUOSBNHTMC-YPMLDQLKSA-N 359.382 1.097 0 40 FDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O 7646259 HHPWZXCXRJUODN-LBPRGKRZSA-N 352.350 1.111 0 40 FDAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(-n2cnnn2)c1 7986128 CKECOTGNCRXCBN-LBPRGKRZSA-N 367.365 1.855 0 40 FDAB NC(=O)[C@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 8267724 WDMQSNZZFDUDSL-ZDUSSCGKSA-N 351.834 1.574 0 40 FDAB COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 22624618 APVQUTJODYDDJN-STQMWFEESA-N 358.435 1.378 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@@H]1C 8394770 WSFCDZPTILIALQ-SNVBAGLBSA-N 370.365 1.305 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1c[nH]c2ccccc12 17294909 IIVVPSZOLLEAEA-HZPDHXFCSA-N 351.406 1.778 0 40 FDAB CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209718 WJUVLFAHCIHZMN-OCCSQVGLSA-N 368.455 1.598 0 40 FDAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)c1 306123590 AQXKUTMOJHRLEU-HZPDHXFCSA-N 351.454 1.783 0 40 FDAB Cc1cc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)no1 62022683 VYLHMGPXBHNCCT-UHFFFAOYSA-N 353.386 1.814 0 40 FDAB CC(C)N(C(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 24243842 FSOKFVGEWREJQO-HOTGVXAUSA-N 352.523 1.305 0 40 FDAB Cn1c(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2ccccc21 28249227 WMHBJYNGQZISKR-UHFFFAOYSA-N 358.379 1.486 0 40 FDAB CCN(CC)C(=O)COc1ccc([C@@H]2CC(=O)N=C3N=CNN32)cc1OC 409379279 WMBDXFNTLYUMIN-ZDUSSCGKSA-N 373.413 1.118 0 40 FDAB O=C([C@@H]1CCCCN1CC(=O)N1CCCc2ccccc21)N1CCOCC1 66893420 AXGRBEBRBUHGDL-IBGZPJMESA-N 371.481 1.679 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1OC 41247780 PNGUAUVQAQAHPL-LBPRGKRZSA-N 356.444 1.383 0 40 FDAB Cc1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)c1 32682511 XASJSTPDOYICHI-UHFFFAOYSA-N 371.441 1.067 0 40 FDAB CCOC(=O)N(CCNC(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 217368622 RZCPYIDJDIKWQI-CQSZACIVSA-N 360.476 1.329 0 40 FDAB CN([C@@H]1CCCN(Cc2ccccc2F)C1)S(=O)(=O)N1CCOCC1 72143446 YQYYREUBVOZCTN-MRXNPFEDSA-N 371.478 1.299 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccccc1 218022583 BDJDHCSBAQMAGF-KBPBESRZSA-N 354.424 1.700 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1N1CCOCC1 217628334 WDURAOZJEGCHEG-UHFFFAOYSA-N 366.395 1.293 0 40 FDAB CCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 39985839 OIZGMZFTZICFSO-ZDUSSCGKSA-N 356.444 1.001 0 40 FDAB Cc1nn(C)c(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1C(F)F 563528538 CMFFIYXRKOYBIY-MNOVXSKESA-N 361.414 1.856 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)OCO3)oc(=O)n2C 223337147 JVZOSBYDKMRRGF-UHFFFAOYSA-N 362.363 1.969 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSC(C)(C)C)s1 225833615 AYGMGDNFFXUYRV-UHFFFAOYSA-N 366.534 1.943 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2noc3c2CCCC3)[C@@H]1c1nccn1C 571061261 RQRBLQZWPRDTHH-MEDUHNTESA-N 357.414 1.236 0 40 FDAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1CCN1CCOCC1 223126501 ZZQKIMIVRWNTQJ-DLBZAZTESA-N 357.483 1.714 0 40 FDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC(n2cc(-c3ccccc3)nn2)C1 329525230 HAXDRDVLBZKSIA-ZDUSSCGKSA-N 360.439 1.153 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Oc2cnccn2)C1 225469134 LGLCCEJJSALKQF-CQSZACIVSA-N 365.393 1.257 0 40 FDAB COCC(=O)N1C[C@@H]2Oc3ccc(C(F)(F)F)cc3C(=O)N(C)[C@@H]2C1 514288712 WXCWXIDOCZBJCP-YPMHNXCESA-N 358.316 1.396 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)cc1 96220704 PJBVMXFJOPAMCR-USXIJHARSA-N 357.410 1.788 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)no1 96249395 PITJUEUJSVIBOT-MSOLQXFVSA-N 356.426 1.884 0 40 FDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc(Br)cs1 253472893 QJJWBCUXGMXBJI-VIFPVBQESA-N 354.229 1.881 0 40 FDAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3csc(C(C)C)c3)C[C@@H]21 257310405 UEYRKWUYAJOMNI-KBPBESRZSA-N 352.456 1.570 0 40 FDAB Cn1nc(-c2cccnc2)cc1CNS(=O)(=O)c1ccc2c(c1)CCO2 253472508 MVIDTFDQISKQGS-UHFFFAOYSA-N 370.434 1.896 0 40 FDAB C[C@H]1CCN(C(=O)Cn2c(O)nc(=O)c3ccccc32)C[C@@H]1n1ccnc1 268361135 HCZAONMFSQOTMU-BBRMVZONSA-N 367.409 1.408 0 40 FDAB COC(=O)C12CC(C(=O)NCCNC(=O)c3c(F)cccc3F)(C1)C2 592593735 INUVRUSMUNPUSH-UHFFFAOYSA-N 352.337 1.154 0 40 FDAB CC(C)OCc1nc([C@H](C)NC(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)no1 626764485 RCPUTSXRCAQHCZ-GRYCIOLGSA-N 354.407 1.808 0 40 FDAB Cc1ccc(-c2cncc(C(=O)N3CCC[C@](O)(CC(N)=O)C3)c2)cc1 644003177 AMUIAAHCHQHFHT-FQEVSTJZSA-N 353.422 1.900 0 40 FDAB Cc1cc(C(=O)N2CCC(Cn3cnnc3)CC2)cc(C)c1OCC(=O)O 652090320 BJQBNYNYJJKFJW-UHFFFAOYSA-N 372.425 1.911 0 40 FDAB Cc1nsc(N2CCC3(CC2)CN(C(=O)c2cccnc2)CCO3)n1 1775991182 JDZZBOJDFAYRLQ-UHFFFAOYSA-N 359.455 1.753 0 40 FDAB Cn1ncnc1CN1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995292 MKSLZNFDOXECHF-LLVKDONJSA-N 367.251 1.659 0 40 FDAB COc1cccc(N2CCC(O)(CN3CCC[C@@](C)(C(N)=O)C3)CC2)c1 585285146 WFKLEOUMEQEXES-LJQANCHMSA-N 361.486 1.614 0 40 FDAB COc1ccccc1S(=O)(=O)NCC(=O)N1CCCc2ccccc21 57101359 BOQQVQMBJNGSNZ-UHFFFAOYSA-N 360.435 1.953 0 40 FDAB CCOC(=O)c1ccc(NCC(=O)N2CCN(C(=O)OCC)CC2)cc1 58019605 WUDKRVXOEZMKJM-UHFFFAOYSA-N 363.414 1.576 0 40 FDAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)NCC(F)(F)F 15278655 WQFPTLIQXHNCTG-SSDOTTSWSA-N 363.340 1.957 0 40 FDAB COc1cc(Br)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 8106763 WNEPIQRDJWIECI-BAQGIRSFSA-N 354.160 1.568 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 4583342 AMKMDRWVSHOUKC-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2C(=O)CN(C)C2=O)sc(C)c1C 3299785 ZTPBGTBSPRYLOF-UHFFFAOYSA-N 353.400 1.374 0 40 FDAB COCc1ccc(C(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1 1148444820 VXVGPWUTWZKZJH-FQEVSTJZSA-N 368.437 1.836 0 40 FDAB CN1CCN(CC2CC2)C(=O)C12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565547350 OHZUBDYQRIUCBO-UHFFFAOYSA-N 374.460 1.308 0 40 FDAB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cncn3C)CC[C@@H]12 1565552006 YWYWGMVTCDPRJF-NXHRZFHOSA-N 364.490 1.142 0 40 FDAB CCOCCCNC(=O)c1ccc2c(=O)n(CCOC)c(=S)[nH]c2c1 2971287 UNVCCYZVGKVRGV-UHFFFAOYSA-N 365.455 1.862 0 40 FDAB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)N1CCOCC1 4292314 DNOUHFRRZZXZIJ-UHFFFAOYSA-N 371.422 1.448 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)NCc2ccc(F)cc2)cc1 4940974 IGCXLCGEJGIXTB-UHFFFAOYSA-N 366.414 1.684 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(c2ccccc2)C1 5193501 LSBWBCRTGDLXEV-ZDUSSCGKSA-N 363.373 1.204 0 40 FDAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@H]12 5276360 PQSUYGKTWSAVDQ-GIXGDULASA-N 360.450 1.846 0 40 FDAB endogenous,in-man O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)NCCc1ccccc1 8588262 YUTGOSUZYPWIHE-UHFFFAOYSA-N 367.380 1.497 0 40 FDAB O=C(Cc1noc2ccccc12)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1 2055837519 YKGDVYJLTPRGAO-ACJLOTCBSA-N 353.382 1.595 0 40 FDAB O=C(Cn1ccn(-c2cccc(F)c2)c(=O)c1=O)NCc1ccccc1 22723577 YVMIDTHYQDECDD-UHFFFAOYSA-N 353.353 1.455 0 40 FDAB COC[C@@](C)(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)OC 575613887 XSYGVMADMDARNP-QGZVFWFLSA-N 357.472 1.579 0 40 FDAB CCOC(=O)CSc1nnc(CNC(=O)c2cccc(F)c2)n1C 2724020 RRIHZLPRNWMZAU-UHFFFAOYSA-N 352.391 1.539 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)O)O2 3881687 VKNLNUXZCWSEOI-TYOHIEAGSA-N 370.486 1.947 0 40 FDAB biogenic Cc1ccc(C)c(OCCN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c1 40010023 SYAWQRBRIFBHFG-ZDUSSCGKSA-N 354.428 1.037 0 40 FDAB CS(=O)(=O)Nc1ccc(OC(=O)c2cccc(-n3cnnn3)c2)cc1 40156551 HUAIHQJUTIGIRJ-UHFFFAOYSA-N 359.367 1.253 0 40 FDAB NC(=O)c1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 40116441 LEUCJEYILMMJAJ-UHFFFAOYSA-N 350.396 1.742 0 40 FDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)Cn1ccc(=O)[nH]c1=O 30917929 QOVABVHIPJGPSV-UHFFFAOYSA-N 357.288 1.094 0 40 FDAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2ccco2)CC1=O 31046925 HXQBDLFNCJCNDP-ZDUSSCGKSA-N 371.393 1.187 0 40 FDAB COc1ccccc1NC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101999285 CPPAACPROCJKKS-YXAMBPQSSA-N 355.394 1.624 0 40 FDAB aggregator C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 32819118 ZDHXUJYYGYYSKM-RDBSUJKOSA-N 366.421 1.561 0 40 FDAB COc1cc(CNC(=O)c2ccc[nH]c2=O)ccc1OC[C@@H]1CCCO1 32931434 VBPXHPMRAXYNCW-AWEZNQCLSA-N 358.394 1.871 0 40 FDAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CN1CCCC1=O 22467256 DGCQXZBCHYKIPD-UHFFFAOYSA-N 354.790 1.761 0 40 FDAB CC[C@@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(C)=O)CC1 22913709 RZCRSCZLKNLEAE-OAHLLOKOSA-N 374.485 1.360 0 40 FDAB COc1ccccc1N1CCN(CN2C(=O)NC3(CCCC3)C2=O)CC1 23381377 FSLZEMKFJFIIIG-UHFFFAOYSA-N 358.442 1.639 0 40 FDAB COC(=O)[C@@H]1NC(=O)C(N2C(=O)c3ccccc3C2=O)=CSC1(C)C 1593816 ZKPQHVPGAXYNJZ-LBPRGKRZSA-N 360.391 1.307 0 40 FDAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 54727529 WDTOHQSKLFKUAX-KRWDZBQOSA-N 372.446 1.971 0 40 FDAB Cc1cccc(NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 3502328 TYTNCTLZRAIGCK-UHFFFAOYSA-N 367.361 1.180 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)[C@H](O)CO 4096782 FFPUNPBUZDTHJI-JPMSRCAISA-N 368.514 1.445 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6155148 BCXQTWYYPDLOCU-UHFFFAOYSA-N 358.460 1.167 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OC)c(Cl)c1 6462615 IQMGGAPUCZWUQP-UHFFFAOYSA-N 354.823 1.872 0 40 FDAB CC(C)(C)OC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 7560817 ZSJSCSNYWDYFKT-GOSISDBHSA-N 362.382 1.610 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 25234143 HIFDVIUHDZYXGV-UHFFFAOYSA-N 362.407 1.281 0 40 FDAB CCOC(=O)c1cnc(C)c(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 95454821 XKYYNOZIRUQPDI-NSHDSACASA-N 350.419 1.991 0 40 FDAB COc1ccc([C@@H]2CCCN2C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 56970680 PTFGTWJCDZZNSZ-INIZCTEOSA-N 357.414 1.352 0 40 FDAB NC(=O)C1CCN(C(=O)COc2c(F)c(F)c(F)c(F)c2F)CC1 27061448 RNEYTJTYDQRTJV-UHFFFAOYSA-N 352.259 1.485 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1cccs1 27550093 IRDNFSGUTWKISW-UHFFFAOYSA-N 351.453 1.074 0 40 FDAB CN(C)CC(=O)Nc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1 58159731 XGADBNABCHTZHI-UHFFFAOYSA-N 351.410 1.993 0 40 FDAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)CN2CCc3ccccc3C2)C1=O 58185383 AONBUQJSBSLUFW-OXQOHEQNSA-N 369.421 1.466 0 40 FDAB COc1cccc2c(C)c(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)oc12 72306497 RUHRVOHDTHMWMD-UHFFFAOYSA-N 359.426 1.772 0 40 FDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCN3CCOCC3)c12 27985065 SLRXIDIGNSNFBC-UHFFFAOYSA-N 357.458 1.606 0 40 FDAB CC(=O)N1CCN(c2c(Cl)cccc2[C@H]2C[C@@H](C(N)=O)CC2=O)CC1 57328045 BBNNLXSMQPALJP-TZMCWYRMSA-N 363.845 1.557 0 40 FDAB O=C(NC[C@@H]1COCCO1)C(=O)Nc1cccc(C2SCCS2)c1 84374361 ARGLYCYLAABUSV-CYBMUJFWSA-N 368.480 1.635 0 40 FDAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccncc1 20720490 PSKLXMOWTGVRIA-UHFFFAOYSA-N 363.421 1.947 0 40 FDAB biogenic COC1=C[C@]23[C@@H]4[C@@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@]2(C=C1)[C@H]3[C@@H]56 104309806 OOZBMPUTEZZCTM-ZRKXQURDSA-N 359.385 1.489 0 40 FDAB Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3CCOCC3)CC2=O)cc1 45276621 GVIZSNWTTPDTAH-HUUCEWRRSA-N 360.410 1.138 0 40 FDAB O=C(CN1CCN(C(=O)CCn2ccc3ccccc32)CC1)NC1CC1 36384138 FIPCPKCECRVSCI-UHFFFAOYSA-N 354.454 1.454 0 40 FDAB O=C(Cc1cccc(F)c1)NCC(=O)Nc1cnn(-c2ccccc2)n1 95456535 SFLYBXIERUCOLA-UHFFFAOYSA-N 353.357 1.704 0 40 FDAB CCOC(=O)[C@H]1CCCN(Cc2nc(CNC(=O)c3ccccc3)no2)C1 29360631 FAUUHTCJBPJZME-HNNXBMFYSA-N 372.425 1.775 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1c1ncnc2c1c(Br)nn2C 60378699 FPRSZCUKUWZRMZ-QMMMGPOBSA-N 353.224 1.183 0 40 FDAB O=C1CN(c2ccc(NC(=O)NCc3cccnc3)cc2Cl)CCN1 48560814 NLVFXCHZWOUSHX-UHFFFAOYSA-N 359.817 1.993 0 40 FDAB CCn1nnc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)ccc21 12930240 NOTSFELDKIZEEC-UHFFFAOYSA-N 365.441 1.850 0 40 FDAB CCc1ccc2c(COC(=O)CCN3C(=O)CCC3=O)cc(=O)oc2c1 12957490 CTWKRIZFPJUSRR-UHFFFAOYSA-N 357.362 1.938 0 40 FDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCc1ccc2c(c1)OCO2 13680776 KFCIZHYGMAGEGN-UHFFFAOYSA-N 374.788 1.853 0 40 FDAB COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NCc1ccccc1 64837078 TZPQHNXLFPLCJW-UHFFFAOYSA-N 371.418 1.924 0 40 FDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5065485 MDBTXFSBABTISW-QGZVFWFLSA-N 358.354 1.530 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CNC(=O)COc2ccccc2)c1 14199485 BWCFMBUYRKXTCA-UHFFFAOYSA-N 355.394 1.570 0 40 FDAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 118915306 JXCOSKURGJMQSG-NGNMYJGKSA-N 366.498 1.653 0 40 FDAB in-vitro Cc1c(C)n(CCN2CCOCC2)c2ncn(Cc3ccco3)c(=N)c12 6669896 GIPUKUOHEPBIOO-UHFFFAOYSA-N 355.442 1.908 0 40 FDAB COC(=O)N1C[C@H](O)[C@H](NCCCc2ccccc2)CN1C(=O)OC 4863015 LRCGOYJUWYBPGW-CABCVRRESA-N 351.403 1.004 0 40 FDAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1 19820906 UGFBROGLNGBWAB-HZPDHXFCSA-N 357.497 1.284 0 40 FDAB Cc1cc(C(=O)CSc2nnc(CCC(N)=O)n2C)c(C)n1C1CC1 7105795 IFDWVHLCXLKURD-UHFFFAOYSA-N 361.471 1.961 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 7296346 LACJCYQZKBPTRQ-HXPMCKFVSA-N 373.409 1.586 0 40 FDAB CCOc1ccccc1C(=O)NCCCC(=O)NCC(=O)NC(C)(C)C 8993743 HRIBPODJDONYJV-UHFFFAOYSA-N 363.458 1.626 0 40 FDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 97002394 IFUWTVBNZUBYJF-NSHDSACASA-N 365.430 1.887 0 40 FDAB CS[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C[C@@H]1N(C)C 89314146 FSGFFWODVDENCJ-GJZGRUSLSA-N 371.528 1.055 0 40 FDAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 23078229 FJAILHPPENYWDW-OAHLLOKOSA-N 369.421 1.849 0 40 FDAB Cc1noc([C@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 60241674 HHTQSDNZOGBOHQ-NSHDSACASA-N 366.443 1.736 0 40 FDAB O=C(c1ccc2oc(O)nc2c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 517050061 YTYCJDKGLXZBOX-OCCSQVGLSA-N 350.396 1.715 0 40 FDAB Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(O)cc4)C(=O)[C@@H]23)cc1 3848787 DSLIZGSJJQCKKF-WMLDXEAASA-N 350.330 1.828 0 40 FDAB biogenic COC(=O)c1nc(NC(=O)CCn2cnnn2)sc1Cc1ccccc1 524734641 XRJQFJLIAKIWKP-UHFFFAOYSA-N 372.410 1.536 0 40 FDAB Cn1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1=O 77658224 QRRCYZKBTOIOKK-UHFFFAOYSA-N 359.813 1.637 0 40 FDAB CCn1c(=O)c(O)nc2cc(C(=O)N3CC(n4nc(C)nc4C)C3)ccc21 328876693 SRAWKWMDPZIHNI-UHFFFAOYSA-N 368.397 1.027 0 40 FDAB Cc1c(C(=O)N[C@H](CC2CC2)C(=O)O)nnn1-c1ccc(F)c(F)c1 573806142 ZSYZSLGCPVBQGF-CYBMUJFWSA-N 350.325 1.837 0 40 FDAB CN(C)c1ncnc2c1CCN(S(=O)(=O)c1cccc(F)c1)CC2 96255435 NLDOFPLRYHNEBX-UHFFFAOYSA-N 350.419 1.471 0 40 FDAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(S(=O)(=O)C1CC1)CC2 96205833 KCOUMBHKRGIAJT-OAHLLOKOSA-N 356.488 1.076 0 40 FDAB Cc1cccc(CN2C[C@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)n1 97953419 KTWVXLXKFRUHLG-DJIMGWMZSA-N 353.426 1.798 0 40 FDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccncc1)CC2 96199864 YBZZWSLNWKSBFX-MRXNPFEDSA-N 353.426 1.436 0 40 FDAB CC(=O)N1CC2(CCN(Cc3ccc(C)o3)CC2)[C@]2(CCN(C)C2=O)C1 97952879 LMLYBCMWCULCPB-HXUWFJFHSA-N 359.470 1.881 0 40 FDAB CCCCS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2ccncc2)C1 96227582 BUNXXQDEGKHLST-WBVHZDCISA-N 351.472 1.540 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)C[C@@H]1COC 96206542 RTKZGABDDSPRBE-OAHLLOKOSA-N 350.463 1.010 0 40 FDAB O=S(=O)(c1ccc(Cl)cc1)N1CCOC[C@H](Oc2cnccn2)C1 96269036 XKCQHOARNXHJTN-CYBMUJFWSA-N 369.830 1.599 0 40 FDAB biogenic,in-vitro COc1ccc(OCCOC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 245267446 LVTPIRUOMVOFFQ-IAOVAPTHSA-N 373.405 1.957 0 40 FDAB CCC[C@@H](NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OC)c1ccccc1 245284455 RXOGGDKESQVBOV-HZPDHXFCSA-N 361.442 1.008 0 40 FDAB CC(=O)N1CCC[C@H]1c1nc(C)cc(N2CC3(CCOCC3)OC2=O)n1 257322101 WEPKIYFLRATCJF-AWEZNQCLSA-N 360.414 1.974 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(Cc4cncs4)C3)ccnc12 257279213 OFNWOCQNSPWNAJ-LBPRGKRZSA-N 356.455 1.925 0 40 FDAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2ccc(Cc3ccccc3)nc2)CCO1 257318385 VNRRPASIMUJOQA-NRFANRHFSA-N 367.449 1.992 0 40 FDAB Cc1nccc([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257227206 FOCNCQQYBSJVST-KRWDZBQOSA-N 353.426 1.994 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382048 AXZUQECYUVFPQW-UAFMIMERSA-N 368.481 1.971 0 40 FDAB biogenic,in-vitro C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 289380274 LCSNIGAWFMGOQT-DZJNRPSUSA-N 358.486 1.134 0 40 FDAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(C(=O)O)nc1 640422236 YYNYQMVXFLEZNC-KRWDZBQOSA-N 355.394 1.583 0 40 FDAB COc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NC1CCCC1 647694153 IGLAPANVNIQWNX-UHFFFAOYSA-N 367.471 1.657 0 40 FDAB CC(C)Cc1cc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)n[nH]1 585279665 WWPXZLBLSYNNND-HXUWFJFHSA-N 373.453 1.891 0 40 FDAB O=C(c1ccnc(F)c1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 585113137 JESDHSHHNZKLJU-CQSZACIVSA-N 373.388 1.061 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 585123251 LPOAWZFCCAEMLB-CQSZACIVSA-N 371.507 1.010 0 40 FDAB O=C(c1ccnnc1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093219 JVCUDRCPZJTPSK-INIZCTEOSA-N 350.369 1.587 0 40 FDAB CN(C)C/C=C/C(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 585290384 VNOUCKBVQVUWLI-ATHQFKSBSA-N 359.470 1.974 0 40 FDAB CCOc1cc2c(cc1CNC(=O)CC[C@@H]1NC(=O)NC1=O)O[C@@H](C)C2 32748143 QVANGNBCOCAHJI-GWCFXTLKSA-N 361.398 1.013 0 40 FDAB Cc1ccc(OCC2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)nn1 1775995267 KUVSKXHQFUISGP-UHFFFAOYSA-N 356.430 1.572 0 40 FDAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)NC3CC3)c(C)c2)CC1 56170344 MONODZIXHFHMCL-HNNXBMFYSA-N 373.501 1.926 0 40 FDAB Cc1cc(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)n[nH]1 1501040370 MHUMEXUUSNTXRO-UHFFFAOYSA-N 367.460 1.023 0 40 FDAB Cc1nn(C)cc1CN1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1614485311 SYKYQFZJLYQZCB-LJQANCHMSA-N 358.417 1.876 0 40 FDAB O=C(CCN1CCCC1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155435 HWMZXDWYOMNUME-OAQYLSRUSA-N 371.481 1.897 0 40 FDAB Cc1cc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)ccc1Cl 5960256 UYDPARPIQSFIMZ-CUFDPUGPSA-N 364.785 1.221 0 40 FDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1 12868775 TVEMKGCHFZEMDG-UHFFFAOYSA-N 366.464 1.950 0 40 FDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 13633381 QDWMHHAEVSNTKF-UHFFFAOYSA-N 372.487 1.639 0 40 FDAB CN(C)CCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 13730615 MRDNVUIEAJGMLK-UHFFFAOYSA-N 371.466 1.348 0 40 FDAB CCOCCCNC(=O)Cn1nc(-c2ccc(C)s2)cc(N)c1=O 19531016 UISQXRZPDRKKCU-UHFFFAOYSA-N 350.444 1.405 0 40 FDAB COc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c(F)c1 19551781 LEUAAMKTMVOROF-UHFFFAOYSA-N 367.384 1.933 0 40 FDAB CCN(C)[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C2(CCCCC2)C1 19703937 LQTBQTIFOMFCCT-CQSZACIVSA-N 364.490 1.572 0 40 FDAB Cc1ccn(C[C@@H](C)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 19746169 QTAXLRGQHOWEFI-CYBMUJFWSA-N 358.446 1.722 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCn2nnc3ccccc3c2=O)c1C 3520052 BOQHBTODZLHVAB-UHFFFAOYSA-N 370.365 1.728 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4cn(C)nc4C(F)F)C[C@H]3C2)n1 1888843511 HULVTSFIJXMSAJ-RYUDHWBXSA-N 362.384 1.665 0 40 FDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCSCC1 1888850134 VNCFUEVPKCTTNA-GFCCVEGCSA-N 361.389 1.881 0 40 FDAB O=S(=O)(c1cnc[nH]1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888869483 DBWMHIXPOLPRPX-ABAIWWIYSA-N 367.406 1.209 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)ncnc21 1888904300 KUGZDCLZARCPKV-HUUCEWRRSA-N 363.425 1.450 0 40 FDAB COc1ccnc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)n1 1889096869 LFQUYHINOSDVKO-UHFFFAOYSA-N 355.446 1.510 0 40 FDAB C[C@@]1(c2cccs2)NC(=O)N(CN2CCN(c3ncccn3)CC2)C1=O 24528492 ONDWAYPDYKKLQV-KRWDZBQOSA-N 372.454 1.085 0 40 FDAB Cc1ccsc1S(=O)(=O)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 2056224756 UIEKQVBWTDZXEL-STQMWFEESA-N 366.468 1.125 0 40 FDAB CCC(CC)NC(=O)[C@@H]1C[C@]2(CO1)CN(Cc1cnn(CC)c1)CCO2 2056226278 OKGPQKFIUUDEHT-PKOBYXMFSA-N 364.490 1.568 0 40 FDAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC[C@@H]1CCCO1 4328729 QZTNEDNBPRQKIQ-VIFPVBQESA-N 368.440 1.771 0 40 FDAB CCOC(=O)c1c(SCC(=O)N2CCCCCC2)nc(=O)[nH]c1C 5251671 MSCLENDWVONDTM-UHFFFAOYSA-N 353.444 1.750 0 40 FDAB Cc1ccc(CNC(=O)CSc2nc(=O)n(CCO)c3c2CCC3)cc1 10256625 ZPVJGWOTABCQFC-UHFFFAOYSA-N 373.478 1.441 0 40 FDAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccncc1 12422956 QFTLBXLPSYREEV-UHFFFAOYSA-N 369.406 1.338 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)N2CCOCC2)cc1 23106877 NHFYONRFTFXTJJ-SFHVURJKSA-N 359.470 1.543 0 40 FDAB Cc1nc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)c2ccncc2n1 2086854867 ZYMWUOKZCRUPML-OAHLLOKOSA-N 359.455 1.114 0 40 FDAB COc1ccc(NC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)cc1 49411078 NKPFMXCBISRMNL-UHFFFAOYSA-N 358.398 1.036 0 40 FDAB COC[C@H](C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 19456606 VNSADAAVCFNELL-KBPBESRZSA-N 351.447 1.242 0 40 FDAB CCOC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 100819203 QAJWGFBTDXAJQH-MWLCHTKSSA-N 357.149 1.801 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 104225452 QZTJICFPDRZOHI-NEPJUHHUSA-N 360.414 1.458 0 40 FDAB COc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 42312868 MENNPIDIZGMWQM-BJMVGYQFSA-N 360.391 1.312 0 40 FDAB O=C(CCCNC(=O)C1CC1)Nc1cc2c(cc1Cl)NC(=O)CO2 25276449 RLQWPGSOJGKXCZ-UHFFFAOYSA-N 351.790 1.916 0 40 FDAB Cc1nnnn1-c1ccccc1C(=O)Nc1ccc(Cn2cncn2)cc1 79479115 XXJFNZBWMSOSQW-UHFFFAOYSA-N 360.381 1.863 0 40 FDAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 4503658 IQHGOGHMPDSUSS-UHFFFAOYSA-N 354.472 1.931 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4568607 GSMXLTSOBIPTTL-LBPRGKRZSA-N 360.863 1.503 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)[C@H]2C)cc1 4778704 YYTVKYPYXJLXER-CYBMUJFWSA-N 353.444 1.563 0 40 FDAB COCCOc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1 26526899 MVJSUMINFCNCNU-UHFFFAOYSA-N 352.416 1.424 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1Cl 6950175 MOQYPGMRUUESJD-UHFFFAOYSA-N 370.814 1.765 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc2n1 100137921 YAOSEVNRPXOGHN-UONOGXRCSA-N 371.441 1.460 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 12539764 BICWYUIAQPMKON-UHFFFAOYSA-N 372.450 1.786 0 40 FDAB NC(=O)[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 10269299 JEESVTLDRQRVLA-MRXNPFEDSA-N 373.434 1.183 0 40 FDAB CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 36390047 UPTZGHKPKCTNFH-VLIAUNLRSA-N 372.469 1.936 0 40 FDAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCCN(C(C)=O)CC2)cc1 28694892 KAMCBSVHDPRUAK-KRWDZBQOSA-N 364.442 1.157 0 40 FDAB O=C(C[C@H]1Sc2nc3ccccc3c(=O)n2NC1=O)Nc1ccccc1 22607191 NSMKDWOSIVPVJJ-CQSZACIVSA-N 366.402 1.970 0 40 FDAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1OC 12416585 MHTMRPDQYKZAMQ-OAHLLOKOSA-N 359.386 1.931 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]23CCCN(C(=O)c2cscn2)C3)c1 63526905 JFUXBLAZWZULGT-KRWDZBQOSA-N 359.455 1.788 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)N[C@@H]1CCOc2ccccc21 12914619 SDRUTYXSUUWCDN-GFCCVEGCSA-N 357.395 1.131 0 40 FDAB O=C(Nc1cccc(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12910398 RJDXMMMYYYYITI-CQSZACIVSA-N 357.863 1.677 0 40 FDAB COc1ccc(CSCC(=O)NCCCN2CCN(C)CC2)cc1 22829359 BNUXLYJAKFOIJF-UHFFFAOYSA-N 351.516 1.682 0 40 FDAB COC(=O)c1ccc2c(=O)n(CCCN3CCC(C)CC3)c(=O)[nH]c2c1 13003531 TYIVNELZYKKCPF-UHFFFAOYSA-N 359.426 1.598 0 40 FDAB O=C1[C@H](N2CCN(Cc3cccnc3)CC2)CCCN1CC(F)(F)F 95442088 JHWSOWVRQXGIQK-OAHLLOKOSA-N 356.392 1.753 0 40 FDAB C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ncnc2nc[nH]c12 9335892 OYZQRHBYGITUEG-SSDOTTSWSA-N 360.761 1.773 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCc1nnnn1-c1ccccc1 13988163 NDAIRKNYSMRDQX-UHFFFAOYSA-N 354.414 1.285 0 40 FDAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC(=O)NCC(C)C 14140960 YMOQFJWXUOPIQF-GFCCVEGCSA-N 362.459 1.933 0 40 FDAB CCCN(C(=O)CSCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 66276102 HQOFNRHYDOCDNV-ZDUSSCGKSA-N 360.501 1.950 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCOc2ccccc2)c1=O 15195286 ZOLPSZURGRVMIJ-UHFFFAOYSA-N 367.405 1.378 0 40 FDAB Cc1cc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)ccc1F 67263177 TXPMDGQFVYLKBY-UHFFFAOYSA-N 367.388 1.467 0 40 FDAB CN1CCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1 19823395 UODBJIYEWALGFZ-KRWDZBQOSA-N 357.385 1.185 0 40 FDAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cn1 7973360 XYTHRQIAGJBLAZ-UHFFFAOYSA-N 351.384 1.524 0 40 FDAB Nc1c(C(=O)CSc2cc(F)ccc2F)c(=O)[nH]c(=O)n1C1CC1 8132396 ONCIZKZYUAIDFB-UHFFFAOYSA-N 353.350 1.707 0 40 FDAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccccn1 19910993 UANWXIZNNOETTJ-UHFFFAOYSA-N 357.395 1.475 0 40 FDAB CC(=O)c1cc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)n(C)c1 83815642 JIKVURWVFUVHDL-OAHLLOKOSA-N 372.347 1.531 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)CNCCc1ccc(S(N)(=O)=O)cc1 8403898 BCMWMHSWNMTFAU-AWEZNQCLSA-N 373.478 1.444 0 40 FDAB C[C@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N(C)c1ccccc1 18387944 SQLQMSBJUMJPAS-JTQLQIEISA-N 368.436 1.604 0 40 FDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3ncon3)cc2)C1 95393085 VPQRPCLVGDPKBH-BBRMVZONSA-N 372.425 1.740 0 40 FDAB COc1cc2[nH]c(O)c(C(=O)NCCCOC(C)C)c(=O)c2cc1OC 9088460 QNENCVODIUJNBO-UHFFFAOYSA-N 364.398 1.796 0 40 FDAB biogenic Cc1csc([C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C2CC2)n1 72297314 GSJNSPJOGZCDDI-CYBMUJFWSA-N 368.484 1.911 0 40 FDAB COC(=O)CC1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 524735480 FEFNKCNDGAKWSA-INIZCTEOSA-N 357.414 1.259 0 40 FDAB Cn1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c([C@H]2CCOC2)n1 529909350 JMVZSJZTVIRJPB-HNNXBMFYSA-N 362.474 1.251 0 40 FDAB COC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218161174 ZMQZTOVLBDASGG-SQNIBIBYSA-N 361.419 1.699 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)cn1C)CC2 79189802 UJNZSMNRFDKELS-UHFFFAOYSA-N 358.394 1.610 0 40 FDAB biogenic CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 72346596 YAFNSGRWAMGEPN-LJCCNALRSA-N 353.422 1.199 0 40 FDAB COCCn1cc(CCC(=O)NCCN2CCOCC2)c2ccccc21 79502080 CRXPFVHYYDKVSN-UHFFFAOYSA-N 359.470 1.669 0 40 FDAB CN1CCN(C(=O)Cn2ccc(=O)c3cc(Br)ccc32)CC1 225730075 RGCNMKIDUAIJLZ-UHFFFAOYSA-N 364.243 1.538 0 40 FDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc(O)nn1 85467340 ISEBWHAAOFTMLF-CQSZACIVSA-N 358.373 1.285 0 40 FDAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2nncn2c1 49408250 QACYBDCCVRJZBC-UHFFFAOYSA-N 374.422 1.796 0 40 FDAB CCOCCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224375543 NHSUTTFLZVYSGQ-UHFFFAOYSA-N 350.466 1.228 0 40 FDAB COc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 222739891 YQSMNERUUJTACB-UHFFFAOYSA-N 370.456 1.620 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC(C)(C)C 17212561 GXQZOLAPUZSPJF-UHFFFAOYSA-N 370.427 1.261 0 40 FDAB COc1ccc(OCc2cn(CC(=O)NCc3ccccn3)nn2)cc1 227167978 NWOUQLHHYPRXND-UHFFFAOYSA-N 353.382 1.577 0 40 FDAB N[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1)Cc1ccccc1 582354734 DVLHFQLPKUIRPM-AZUAARDMSA-N 365.477 1.953 0 40 FDAB Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4cnn(C)c4)CCO3)C2)no1 96206972 CSDICZFMTKQFPV-MAUKXSAKSA-N 359.430 1.270 0 40 FDAB Cc1ccnc(OC[C@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1 96217457 OKMVQGDJDJCCKH-HNNXBMFYSA-N 353.426 1.985 0 40 FDAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(S(=O)(=O)C2CC2)C3)n1 247862349 GYZYAMZCCOFOEC-AWEZNQCLSA-N 354.497 1.959 0 40 FDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)cn1 248141261 QFSAOQQDTJSVRV-INIZCTEOSA-N 356.426 1.653 0 40 FDAB Cc1ncc(CNC(=O)CCc2cn(C)nc2C)c([C@H]2CCCN2C)n1 257255294 KGYFOSBJIVGTBE-QGZVFWFLSA-N 356.474 1.843 0 40 FDAB CCCn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257200312 ACVKSPVLQUWWQP-UHFFFAOYSA-N 363.487 1.964 0 40 FDAB Cc1c(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 257266086 MBMCWHPTRCVYAT-YJBOKZPZSA-N 354.458 1.617 0 40 FDAB Cc1cc(N2CCC(O)(CN(C)C(=O)CCN)CC2)c2cnccc2n1 257293575 QQEFNJBLIKETCM-UHFFFAOYSA-N 357.458 1.077 0 40 FDAB Cc1cc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n(C)n1 252490121 KJQLTDREQZFAMA-UHFFFAOYSA-N 362.455 1.443 0 40 FDAB CCN1C(=O)CC[C@H](CN[C@@H](C)Cc2cnccn2)[C@H]1c1nccn1C 1775959805 YVBIYHBHQFCXQZ-DAYGRLMNSA-N 356.474 1.731 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)CC2 612299996 AIRQTJIRBKXGHW-MRVPVSSYSA-N 371.319 1.289 0 40 FDAB Cc1cc(Br)ccc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 643997519 JYOONFFYBWRMFW-HNNXBMFYSA-N 355.232 1.600 0 40 FDAB COc1cccc([C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C(=O)O)c1 659174015 DNTKMKBCLWPACP-QGZVFWFLSA-N 370.409 1.644 0 40 FDAB NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)CC1 671647981 QJNDRSGMMMWUFY-JTQLQIEISA-N 374.846 1.704 0 40 FDAB Cc1nnnn1-c1cccc(N2C(=O)N[C@@H](c3ccccc3F)C2=O)c1 683612249 VOBPTCHAMXKQJW-HNNXBMFYSA-N 352.329 1.907 0 40 FDAB Cn1cc(C(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)nn1 96120400 YYYSUAJZNKIDGQ-UHFFFAOYSA-N 367.409 1.844 0 40 FDAB COC(=O)CCCC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830399 KVBAXRZMTIGIEI-UHFFFAOYSA-N 367.467 1.936 0 40 FDAB CC(C)CNC[C@@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@H]1O 585285565 QNAFXCRKENHPIR-FUHWJXTLSA-N 354.878 1.452 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCCn2ccnc2)CCO1 585275949 BMCLBMUWSGSHBF-HXUWFJFHSA-N 357.454 1.804 0 40 FDAB COCCN1CC2(CCN(C(=O)c3conc3C)CC2)C[C@H]1COC 585103770 PFRXAZJHJZYCND-HNNXBMFYSA-N 351.447 1.573 0 40 FDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1 585275751 GQRMALFQFXLTQA-IBGZPJMESA-N 358.442 1.573 0 40 FDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)Cc2ccncc2)C1 585278089 QKMLIJSMIGEDAS-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1C[C@@H]2CC[C@H](C1)O2 674300423 YDFIJIXVSUOCEN-FGTMMUONSA-N 357.454 1.793 0 40 FDAB O=C(N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H]21)c1nc(N2CCCC2)ncc1Cl 1551450444 YWLFXVKWYLTKOR-MEWQQHAOSA-N 364.833 1.959 0 40 FDAB CN1C[C@H](C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)CC1=O 1565521850 BWHOBSRIVWMRER-MRXNPFEDSA-N 372.469 1.451 0 40 FDAB Cc1occc1C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961332 FPWGQFNXUXIPRV-KRWDZBQOSA-N 371.441 1.275 0 40 FDAB CCN1CCO[C@@H](CNCc2ccc(C(N)=O)cc2)[C@@H]1c1cnn(C)c1 657622942 ZZLMIRPYXJYJHL-ROUUACIJSA-N 357.458 1.071 0 40 FDAB CC(C)CN1CCNC(=O)c2ccccc2OCC=CCC2(CNC2)C1=O 1536221884 PXTKPQIWCWHOJG-UHFFFAOYSA-N 371.481 1.829 0 40 FDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3ccc(F)cc3)c2n1 12337170 WSIIMCMGABRDDQ-CYBMUJFWSA-N 356.361 1.679 0 40 FDAB O=C(C1CC1)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3CC3)nc2C1 19014972 JOZMLYWKFDLBMB-INIZCTEOSA-N 370.453 1.941 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 19022539 WVHVDHAMJICBJJ-UHFFFAOYSA-N 367.365 1.683 0 40 FDAB O=S(=O)(c1ccccc1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1 19373602 GEKHHNORNBBXDZ-LBPRGKRZSA-N 357.395 1.705 0 40 FDAB CNC(=O)c1cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2ccccc12 19754569 WDONZXKLPJWFPY-CYBMUJFWSA-N 363.421 1.958 0 40 FDAB Cc1cc(OC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(=O)o1 206975475 AWNUTLZUKQCJAH-UHFFFAOYSA-N 368.411 1.785 0 40 FDAB CC[C@@H](C(=O)NCc1cc(Br)cnc1OC)N1CCCC1=O 628795546 HEYYDBXDOILYLA-LBPRGKRZSA-N 370.247 1.870 0 40 FDAB O=C(CCn1cnc2cc(F)ccc2c1=O)NC(=O)NCc1ccccc1 10581800 XMQLDOKFTRQFCH-UHFFFAOYSA-N 368.368 1.952 0 40 FDAB Cc1cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n2nc(C)cc2n1 1888914266 QETWHKULWCFDBK-UHFFFAOYSA-N 363.429 1.349 0 40 FDAB O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 244975164 IELWZIXTMDQIRW-UHFFFAOYSA-N 364.832 1.533 0 40 FDAB O=C(Cc1ccncc1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985011 UVGPRKYCLFZSDE-MJGOQNOKSA-N 365.433 1.905 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(I)c1 311754951 VIHMTBGIKQZRAW-KKOKHZNYSA-N 367.142 1.734 0 40 FDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCCc3ccccc3)n12 4250225 UMEFGXGKQCUNSY-UHFFFAOYSA-N 371.466 1.821 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38731045 IIVDOMIYKCVQGO-KGLIPLIRSA-N 364.467 1.866 0 40 FDAB Cc1nc(N2CCN(C(=O)c3snnc3C)CC2)cc(C(F)(F)F)n1 225732568 BSNXVQNOCOSGJU-UHFFFAOYSA-N 372.376 1.926 0 40 FDAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N(C)C)ccc1-n1cnnn1 40104917 WXGGOELSFBKGOY-HNNXBMFYSA-N 355.402 1.988 0 40 FDAB Cc1nnc2ccc(N3CCC(C(=O)NCCCOC(C)C)CC3)nn12 32073017 OPVGLUPRZIYOCF-UHFFFAOYSA-N 360.462 1.580 0 40 FDAB COC(=O)c1nnsc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 20724040 CTKYKVDEWPQETL-MRVPVSSYSA-N 364.358 1.455 0 40 FDAB CCC[C@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 22538743 OLYJOOMNJSFFPL-LBPRGKRZSA-N 353.492 1.847 0 40 FDAB COCCn1nc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)ccc1=O 23100972 CJLQJOZBIIARSI-MRXNPFEDSA-N 373.409 1.700 0 40 FDAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc(OC)cc1 644788 NHMXZPVLTUYHRZ-UHFFFAOYSA-N 362.363 1.578 0 40 FDAB CCOc1ccc([C@@H]2[C@@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 3903527 WFEUSWMZEFNFQO-PASDCYSWSA-N 364.394 1.471 0 40 FDAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc(Cl)c1O 4502630 AJDSOKALDZDVAW-GFCCVEGCSA-N 365.777 1.893 0 40 FDAB COCCCn1c(=O)c2sccc2n(CC(=O)N2CCCCC2)c1=O 6679231 ODPMONNQIPLOFS-UHFFFAOYSA-N 365.455 1.274 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2cn(C)nc2C)n1 100737782 NFDWVIBFVFBBDG-IRXDYDNUSA-N 357.458 1.152 0 40 FDAB COc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2c(C)noc2C)c1 106981998 UOJDXTSZTQQRBY-KBPBESRZSA-N 350.396 1.909 0 40 FDAB O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccc(Br)cc2)C1 8024794 YJIAZSNOWJXCIQ-JTQLQIEISA-N 354.247 1.378 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N[C@@H]1CCCC[C@H]1C 8778225 SSJDKASTWLOSMA-DVOMOZLQSA-N 365.499 1.780 0 40 FDAB COC(=O)[C@H](Cc1cccc(OC(C)=O)c1)N1C(=O)c2ccccc2C1=O 22065889 CBYNMYYQKRQNAI-KRWDZBQOSA-N 367.357 1.992 0 40 FDAB in-vitro COc1cccc([C@@H]2[C@H](C(=O)NC[C@H]3CCOC3)CC(=O)N2C2CC2)c1 108377238 RUUZVEBWRNURTK-OMWUSAIZSA-N 358.438 1.900 0 40 FDAB CC(C)C(=O)Nc1nc(CC(=O)NCCc2nnc3ccccn23)cs1 44354075 DSUVTSYSKQUGIA-UHFFFAOYSA-N 372.454 1.682 0 40 FDAB COc1cccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 2093370 MYIFTZQUOJWRIQ-BBWFWOEESA-N 370.449 1.716 0 40 FDAB biogenic COc1cccc(-n2cnnc2SCCN2C(=O)NC(C)(C)C2=O)c1 28013029 JTAFXDJJUIMYBO-UHFFFAOYSA-N 361.427 1.698 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)COc2cccc3c2CCC3=O)c2ccccc2O1 29387319 XPGCUAJFMDHTFO-SFHVURJKSA-N 366.373 1.474 0 40 FDAB Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)[nH]2)cc1 12812136 MODGIQLSHZGTFB-ZDUSSCGKSA-N 352.485 1.993 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 12825102 ZCFFLEPIIKBBDG-UHFFFAOYSA-N 362.407 1.927 0 40 FDAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)cc1 306139879 UDJFGDOKYHALKE-HZPDHXFCSA-N 369.469 1.729 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12C[C@](CO)(CC(=O)O)CO2 4085599 NOXPDYBFDJSFHH-TYOHIEAGSA-N 370.486 1.805 0 40 FDAB biogenic COc1ccc(CC(=O)N2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 65499333 JDPQIOAVCHFJLU-UHFFFAOYSA-N 354.410 1.321 0 40 FDAB COc1ccc(OCCNC(=O)CCn2cnc3ccccc3c2=O)cc1 14095268 VJBXYZKEOYBPDS-UHFFFAOYSA-N 367.405 1.990 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 14241627 XHPDOJBKJUTCND-HNNXBMFYSA-N 367.515 1.605 0 40 FDAB CC/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 6620556 PFBNKLOZYVRYCQ-BSZDNMLHSA-N 357.410 1.698 0 40 FDAB CCOC(=O)C1=C(CN(C)CCOc2ccccc2F)NC(=O)NC1 15046366 FIVNUYHQFLSSSV-UHFFFAOYSA-N 351.378 1.266 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 4995876 BCZLJTDOWBKMLS-GOSISDBHSA-N 357.366 1.087 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(CC)cc3)C2=O)C1 4995864 CIMJRGRZEKWBHC-LJQANCHMSA-N 371.393 1.422 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)n1 7530400 HPMORLKODUPIOO-UHFFFAOYSA-N 371.470 1.245 0 40 FDAB CC(=O)N1CCN(C(=O)COC(=O)c2csc3c2CC[C@@H](C)C3)CC1 7779991 UFYCIWOGJYAKEY-GFCCVEGCSA-N 364.467 1.720 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)C1CCC1 7813616 YVPGXUQNVUDPSH-GFCCVEGCSA-N 368.455 1.916 0 40 FDAB O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1nc[nH]n1 19849856 MZDUKSYWJOWIRO-UHFFFAOYSA-N 352.383 1.664 0 40 FDAB CN1CCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1 19823392 UODBJIYEWALGFZ-QGZVFWFLSA-N 357.385 1.185 0 40 FDAB COc1cccc(-c2nnc(S[C@H](C)C(=O)N3CCOCC3)n2C)c1 8328883 XWZMFLHSJLYLAC-GFCCVEGCSA-N 362.455 1.830 0 40 FDAB Cc1nc2c(c(C)c1CNC(=O)CN1Cc3ccccc3C1)c(=O)[nH]n2C 84019718 MHUONMQIJCQWCV-UHFFFAOYSA-N 365.437 1.510 0 40 FDAB COc1ccc(OC[C@@H](O)CN2CCN(Cc3cccnc3)CC2)cc1 61722118 WPMZFIWYXXZEOO-SFHVURJKSA-N 357.454 1.648 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2noc(C(C)(C)C)n2)c1 23104564 QXXNTJFSJDHBIT-UHFFFAOYSA-N 368.459 1.608 0 40 FDAB O=C(NCc1cccnc1)c1ccn(Cn2cc(Br)cn2)n1 32508864 OWLGVMPFAUSLLB-UHFFFAOYSA-N 361.203 1.673 0 40 FDAB CC(=O)N1CCN(C(=O)C2CCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355151 SHXJKIKWPKXMIB-OAHLLOKOSA-N 359.474 1.192 0 40 FDAB Cc1ccc(OCC(=O)NCCNC2=NS(=O)(=O)c3ccccc32)cc1 39425253 DOSAUIAHQWJEQA-UHFFFAOYSA-N 373.434 1.229 0 40 FDAB N=c1[nH]c2nc(CSc3cccc(Br)c3)cc(=O)n2[nH]1 524140834 SPFMVLAPRWTBGJ-UHFFFAOYSA-N 352.217 1.885 0 40 FDAB COCCn1ccc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O 40391119 FSKHXOXZAVJVJV-UHFFFAOYSA-N 365.393 1.899 0 40 FDAB COCCn1nnc2c1CCN(C(=O)Nc1cc3c(cn1)CCCC3)C2 570255927 RKZKAGDXKOFHOZ-UHFFFAOYSA-N 356.430 1.789 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)N1CC(c2nc(-c3ncccn3)no2)C1 49483220 CLYBPVAGGHLLJH-UHFFFAOYSA-N 366.337 1.887 0 40 FDAB O=C(Nc1ccc2c(c1)OCCO2)c1coc(NC(=O)c2cnccn2)n1 77196582 DCHOZFGWMPAFBW-UHFFFAOYSA-N 367.321 1.740 0 40 FDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)C1CCN(CC(F)(F)F)CC1 192864221 WKHAUFCVRVIJGH-JTQLQIEISA-N 354.398 1.361 0 40 FDAB COCCN1C(=O)C2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96052523 GFVZAUDWBMSVRW-UHFFFAOYSA-N 372.465 1.966 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239751 ADLSKCBHTXLJEG-CJNGLKHVSA-N 352.385 1.720 0 40 FDAB COCCN1CC2(CCN(Cc3nccs3)CC2)[C@@H](COC)C1=O 96208534 KKZLEHIFSJNCLU-AWEZNQCLSA-N 353.488 1.477 0 40 FDAB C[C@H](C(=O)O)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 580194648 ZFABBKNDPIVHCY-GZMMTYOYSA-N 360.288 1.527 0 40 FDAB O=C(CCn1ncc2ccc(Cl)cc21)NCCCN1CCOCC1 96182001 BMPHEPDCQXEFAZ-UHFFFAOYSA-N 350.850 1.918 0 40 FDAB O=C1COC2(CCN(C(=O)c3cccnc3)CC2)CN1Cc1ccccn1 96049217 WMZQAQWLZXJGNE-UHFFFAOYSA-N 366.421 1.510 0 40 FDAB Cc1cccc(N2C[C@@]3(COCCN(c4ccncn4)C3)OCC2=O)c1 96240102 OROOBMDZVYMLBI-IBGZPJMESA-N 354.410 1.424 0 40 FDAB CN(C)C[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn2C1 248130807 QGQNDPLCDGJIAT-AWEZNQCLSA-N 356.426 1.488 0 40 FDAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccnnc1)C2 248126603 LWSGPLRHBKVJLQ-HNNXBMFYSA-N 353.426 1.487 0 40 FDAB Cn1c(CN2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)nc2ccccc21 257220430 DKVBHYNPJIVUPF-LBPRGKRZSA-N 359.455 1.689 0 40 FDAB Cn1cncc1-c1nccnc1[C@H]1CCCN(CC2(O)CCOCC2)C1 257270463 MUIBBPAUSFQDOK-HNNXBMFYSA-N 357.458 1.598 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3cccc(F)c3)C2)ncn1 257312964 UQLFPBMQAARKCU-LJQANCHMSA-N 358.417 1.566 0 40 FDAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCC(N)=O)[C@H]1CCCCC(=O)N2 257262539 LLVOCSWMFYKSHT-WWMYMODYSA-N 371.481 1.913 0 40 FDAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(C)nc(O)n3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257299493 RQHRPBVPESBWMA-NQUFMGSDSA-N 358.442 1.885 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@]1(O)CCN(c2cnccn2)C1 257226922 FMTIXNRULCUYMZ-FQEVSTJZSA-N 352.438 1.265 0 40 FDAB CC1(C)CNCC[C@H](NC(=O)c2cc3n(n2)CC2(CCNCC2)OC3)C1 1775962108 SRICSBUIUFTNPU-AWEZNQCLSA-N 361.490 1.044 0 40 FDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cccc(O)c1)CC2 585096244 CSSQUOQVMVOBCL-GFCCVEGCSA-N 358.398 1.182 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NC2CC(F)(F)C2)C1 585095745 HZTUHTAXBIGGHO-HONMWMINSA-N 352.385 1.726 0 40 FDAB CCc1cc(=O)n(Cc2cc(=O)n3ccccc3n2)c(N2CCCC2)n1 65307506 LMUAUZBBZOVEHH-UHFFFAOYSA-N 351.410 1.462 0 40 FDAB COC(=O)C1(NC(=O)CCS(=O)(=O)C2CCCC2)CCC(C)CC1 46823084 WHZHBVCLPQTGJH-UHFFFAOYSA-N 359.488 1.972 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN([C@@H](C(N)=O)c2ccccc2)C1 548009177 YBHQCFRPZLGBMO-QAPCUYQASA-N 358.467 1.715 0 40 FDAB CO[C@H]1[C@H](COC(=O)c2ccccc2)O[C@H](OC(C)=O)[C@H]1OC(C)=O 5665160 WPKMEYBOQBQROJ-JKQORVJESA-N 352.339 1.078 0 40 FDAB CC(=O)Nc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N2CCOCC2)cc1 5860819 NPEXNYXCQOJUQJ-INIZCTEOSA-N 374.466 1.297 0 40 FDAB O=C1N[C@@]2(COC3(CCN(C(=O)[C@H]4CCCO4)CC3)C2)Nc2ccccc21 12085433 UJSNMESCXDBJHA-UZLBHIALSA-N 371.437 1.499 0 40 FDAB COc1ccc2c(=O)c(NC(=O)NCCCN3CCCC3=O)c[nH]c2c1 13566017 CQXGQRVCLZXCNY-UHFFFAOYSA-N 358.398 1.671 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 14129305 ZJFCQCCXUVJFFP-UHFFFAOYSA-N 359.382 1.254 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@@H](C)N4CCCC4)C3)ncc2C1 19077722 PXYVXLWBKSCFCA-GDBMZVCRSA-N 371.485 1.181 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCCO3)ncc2C1 19018477 MDRHMJYRHMDLAA-DLBZAZTESA-N 358.442 1.614 0 40 FDAB CC(=O)N1CCc2c(O)nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)nc2C1 19019067 NLBHFEJTNKNNNL-OAHLLOKOSA-N 372.469 1.983 0 40 FDAB Cc1ccc([C@H]2N=C(NC[C@@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 104138200 CSKUUUAXGAGGTK-RDJZCZTQSA-N 353.426 1.957 0 40 FDAB CCc1nnc2ccc(NC[C@@H]3CC(=O)N(C)[C@H]3c3ccncc3)nn12 664337388 MPRGZJWUVMQXQG-UGSOOPFHSA-N 351.414 1.713 0 40 FDAB Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)CCO2)o1 681821319 OZBYUOQMYPDIER-ZUZCIYMTSA-N 365.411 1.464 0 40 FDAB Cc1noc(CN2CC[C@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)n1 1888876272 CFXCPSVMJBTZJH-LBPRGKRZSA-N 361.427 1.033 0 40 FDAB Cc1cn2nc(OCC3CCN(C(=O)c4cn(C)nn4)CC3)ccc2n1 1888881952 WXIQDYJCSKUDRC-UHFFFAOYSA-N 355.402 1.097 0 40 FDAB O=C(Cc1ccc(F)cc1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888913307 IDCVHSWMUZJYRF-HUUCEWRRSA-N 366.400 1.401 0 40 FDAB Cc1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)nc(N(C)C)n1 1889119541 SVZVSUWYHZMBKX-UHFFFAOYSA-N 360.506 1.376 0 40 FDAB COc1cnc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)nc1 2056224812 XBFJQBKOCJICAW-CALCHBBNSA-N 367.453 1.864 0 40 FDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)Cc1ccc(F)cn1)CC2 1142022502 ZUBGZQYSRRJWJW-MRXNPFEDSA-N 359.401 1.245 0 40 FDAB Cc1cnc2c(c1NCc1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C 12226729 ORKOBOCQIIKFBE-UHFFFAOYSA-N 354.366 1.281 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4ccco4)cc1c32 12342444 RIPPETYRWSQJSN-LLVKDONJSA-N 353.378 1.931 0 40 FDAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22795948 UCSCPQWEJSDBPV-KRWDZBQOSA-N 364.465 1.003 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1csc(-c2ccccc2)n1 1775965584 FAMCYJNXKKOEKH-UHFFFAOYSA-N 373.434 1.706 0 40 FDAB COCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccc(OC)cc3)c2N)C1 19592713 JBXWVOMEPHPKCS-LBPRGKRZSA-N 358.398 1.141 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)CCn3c(=O)n(C)c4ccccc43)cc12 40040253 LLHJUZUDLAENPM-UHFFFAOYSA-N 364.409 1.959 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCC3=CCCCC3)ccc21 50144171 DEXPCTJWMKWOQY-UHFFFAOYSA-N 356.426 1.822 0 40 FDAB Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1C1CC1 31853714 DLFJKPWVJBQSQH-UHFFFAOYSA-N 372.498 1.632 0 40 FDAB CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCC)cc2)cc1 41096874 RPLZFDYDAJPQIB-UHFFFAOYSA-N 368.480 1.950 0 40 FDAB C[C@H]1CN(C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 22926907 VCFHPAWZCQLQSY-STQMWFEESA-N 365.455 1.141 0 40 FDAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 23075057 IHRHFBYHMDMCTM-OAHLLOKOSA-N 369.421 1.707 0 40 FDAB CCOC(=O)N1CCN(C(=S)NC(=O)/C=C/c2cccs2)CC1 849472 RBYNAKKKNJXCBW-AATRIKPKSA-N 353.469 1.937 0 40 FDAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 47530465 AGGHQZAFDBSQEA-ZDUSSCGKSA-N 366.801 1.532 0 40 FDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccnc(N(C)C)c1 78621062 JONVUNLWWXTQKW-LBPRGKRZSA-N 362.455 1.628 0 40 FDAB Cc1cccn2c(=O)c(C=O)c(Nc3ccc(S(N)(=O)=O)cc3)nc12 945455 FVRAQHCZAUXGEK-UHFFFAOYSA-N 358.379 1.206 0 40 FDAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[nH]c1=O 79189219 FYCINCFIQRBUIU-CJNGLKHVSA-N 353.330 1.937 0 40 FDAB biogenic CC(C)(CNC(=O)OC(C)(C)C)NC(=O)NCc1nnc2n1CCC2 79106471 LWJIRWLCUCZQEU-UHFFFAOYSA-N 352.439 1.327 0 40 FDAB CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 3373598 UMFABKFTXVVNQB-UHFFFAOYSA-N 352.441 1.031 0 40 FDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 84686775 CNGZWVPUZVDRLN-IUODEOHRSA-N 364.467 1.532 0 40 FDAB Cn1c(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc21 12586974 LHALDEDLHSCKDI-ZIAGYGMSSA-N 366.421 1.531 0 40 FDAB Nc1nc(COC(=O)c2sccc2S(N)(=O)=O)nc2ccccc12 10489219 OPPPRVIZLUNSRW-UHFFFAOYSA-N 364.408 1.278 0 40 FDAB COc1cc(C(=O)NN2CC(=O)NC2=O)ccc1OCc1ccccc1 25612507 GEZBPEUZQXVBRB-UHFFFAOYSA-N 355.350 1.471 0 40 FDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404800 LGBDFMWBCPKWQX-CYBMUJFWSA-N 370.471 1.635 0 40 FDAB O=C(O)[C@@H]1C[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1 107214480 JTEBZJMUURZZJR-HIFRSBDPSA-N 356.419 1.528 0 40 FDAB CCCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 57766709 GNUMCNJTWSDGRN-ZDUSSCGKSA-N 369.439 1.506 0 40 FDAB Cn1c(=O)c2cc(C(=O)Nc3cnc4ccccc4c3)cnc2n(C)c1=O 12607293 AHQVNHXSQNEOSZ-UHFFFAOYSA-N 361.361 1.433 0 40 FDAB O=C(CN1CCN(C(=O)CSc2ccccc2F)CC1)NC1CC1 57996284 UDHFLKCPWGGDCT-UHFFFAOYSA-N 351.447 1.341 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 58081771 ASMANPKJOWADDD-LJQANCHMSA-N 369.425 1.181 0 40 FDAB CCc1nn2c(O)cc([C@H]3CCN(C(=O)Cc4nonc4C)C3)nc2c1C 100147049 PFKMCEBDMXWTKG-LBPRGKRZSA-N 370.413 1.556 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](C(=O)O)C1 62133975 VNWNTXDKRYEESP-GFCCVEGCSA-N 355.232 1.814 0 40 FDAB O=C(CN1CCN(Cc2ccsc2)CC1)NC(=O)NC1CCCC1 23249014 KGRXYWXHEZVTJN-UHFFFAOYSA-N 350.488 1.634 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1nnc2ccccn12 12797940 WLMBEKPJCZLQLI-UHFFFAOYSA-N 364.413 1.075 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccccc1 12776337 JOKHLYOQUZLXHA-HZPDHXFCSA-N 372.421 1.411 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NCC(F)(F)F 48368453 YKUSMODVZMZHNY-DCAQKATOSA-N 365.352 1.181 0 40 FDAB O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)NC1CC1 37207246 LXGSZDZRRGZLOT-UHFFFAOYSA-N 351.834 1.142 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC[C@H]1CCCO1 3420737 PODGVWGIDQSUKP-KUHUBIRLSA-N 357.410 1.065 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 3547258 JICRDFOKRMJANW-UHFFFAOYSA-N 352.456 1.718 0 40 FDAB O=C(CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Nc1ccccc1Cl 12926194 GYHYBLFRZUEIPE-UHFFFAOYSA-N 374.828 1.425 0 40 FDAB COc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)cc1OC 13365338 DRIPHTZDFXGQNK-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 22926454 JAHMHDZWQYHLPW-UHFFFAOYSA-N 365.437 1.613 0 40 FDAB CC(C)CN(Cn1nc2ccccn2c1=S)[C@H]1CCS(=O)(=O)C1 14135095 STVPQGKIOFAHJI-ZDUSSCGKSA-N 354.501 1.968 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)/C=C/c1c(C)nn(C)c1C)c1ccccc1 5775632 IFWAJKQKEFJJHW-SXSDINLZSA-N 370.409 1.790 0 40 FDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@H]2CCOC2=O)CC1 71795961 BRCAMMWXJNORHK-LSDHHAIUSA-N 352.818 1.487 0 40 FDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 15302748 IQEVNGDECORWTC-QAPCUYQASA-N 359.470 1.899 0 40 FDAB NC(=O)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 67797629 OFWINPKMRBJMRY-KRWDZBQOSA-N 357.454 1.334 0 40 FDAB Cc1cc(=O)c(C(=O)NCC(=O)NC(C)(C)C)nn1-c1ccccc1F 7449550 OOLGLPZPNGRTSZ-UHFFFAOYSA-N 360.389 1.325 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)NCCc2ccccc2)s1 8772409 USBOZOPCIYKLMI-UHFFFAOYSA-N 352.481 1.812 0 40 FDAB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cc2ccccc2c(=O)[nH]1 84594744 OFHVUFZNULEADJ-SJORKVTESA-N 370.405 1.855 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cc2ccccc2c(=O)[nH]1 84594742 OFHVUFZNULEADJ-DLBZAZTESA-N 370.405 1.855 0 40 FDAB Cc1nnc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)s1 62022698 ODBMNGGIVOBTGA-UHFFFAOYSA-N 370.442 1.677 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408592962 LDXZJANLZIMMMX-CQSZACIVSA-N 370.471 1.247 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)c1 27394366 AHMBSUDZUXZVEY-YOEHRIQHSA-N 364.442 1.753 0 40 FDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408560716 PPPMLFHONYOPRW-CYBMUJFWSA-N 358.460 1.213 0 40 FDAB COc1c([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc2c(c1OC)OCO2 35326586 UHQXVHUORCYKRY-LBPRGKRZSA-N 371.349 1.832 0 40 FDAB Cc1c(CC(=O)N(CC(=O)O)C2CCOCC2)nnn1-c1ccccc1 531748397 MUMQMEXODTYZBH-UHFFFAOYSA-N 358.398 1.210 0 40 FDAB CC(C)[C@H](NC(=O)[C@@H](C(C)C)n1c(O)nc2ccccc2c1=O)C(=O)O 6907178 JWBFBOBAOJUPJV-UONOGXRCSA-N 361.398 1.525 0 40 FDAB biogenic O=C(c1cccs1)N1CCc2ncnc(N3CCC(O)CC3)c2CC1 72427209 BCZMCHHSFRGYIY-UHFFFAOYSA-N 358.467 1.740 0 40 FDAB O=C(CNC(=O)c1cccs1)Nc1cccc(CN2CC[C@@H](O)C2)c1 560678950 UQPZNWOSOBIJJV-OAHLLOKOSA-N 359.451 1.683 0 40 FDAB CNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217712392 XJISXASEHOUTLP-UHFFFAOYSA-N 364.423 1.956 0 40 FDAB Cn1nc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c2c1CCCC2 583124306 QQSCNJOXRJICOZ-ZDUSSCGKSA-N 359.455 1.999 0 40 FDAB COC[C@@H]1CC2(CCN(C3CCOCC3)CC2)CN1CC(=O)N(C)C 96217474 OZSCGBYQZUKJMN-KRWDZBQOSA-N 353.507 1.057 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@]3(CCC(=O)N3CCN(C)C)CC2)cn1 96071927 HRVZNJIOTMZLHC-IBGZPJMESA-N 359.474 1.334 0 40 FDAB Cc1cnc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cn1 96110922 BZTBYCJXVLXRFE-FUHWJXTLSA-N 353.426 1.153 0 40 FDAB Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCCC(=O)N1CCOCC1 583615047 DGLDVIHFPSGHOA-UWJYYQICSA-N 372.465 1.709 0 40 FDAB O=S(=O)(NC[C@H]1CCC[C@]2(CCN(Cc3ccco3)C2)O1)C1CC1 96208224 KFOFSEPTLYDLFA-RHSMWYFYSA-N 354.472 1.875 0 40 FDAB Cc1nnc(N2CC3(CC[C@@H](CNC(=O)c4cccn4C)CO3)C2)s1 248165654 ZOHKSXNKLQEXLA-ZDUSSCGKSA-N 361.471 1.600 0 40 FDAB O=S1(=O)CC[C@@H](COCc2cccnc2)C12CN(C1CCOCC1)C2 247293442 BUAHIZFJOILLFQ-INIZCTEOSA-N 366.483 1.266 0 40 FDAB COc1cccc(CN2CCOC[C@H](CC(=O)N3CCOCC3)[C@H]2C)c1 249680497 AMOXQLOKLRSFJC-AEFFLSMTSA-N 362.470 1.781 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 247794968 BZSLCCHFZDMDQF-AWEZNQCLSA-N 369.377 1.658 0 40 FDAB CC(=O)NCC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 257208775 BNOAIOQMTIYTPB-WKILWMFISA-N 363.506 1.350 0 40 FDAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1 257200438 ADIINIYQNSLAJU-MRXNPFEDSA-N 358.373 1.466 0 40 FDAB COc1cc(CCC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)on1 257237358 HGCGZIJSNWSEGC-HNNXBMFYSA-N 359.430 1.797 0 40 FDAB Cc1ccc(C(=O)NC[C@]2(O)C[C@H](c3ccc(F)cc3)O[C@H](C)[C@H]2O)cn1 257307823 TUHKPZDSLMSLFI-LCPZFUNLSA-N 374.412 1.901 0 40 FDAB O=C(CN1CCOCC1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 257308378 TWNBHIRJYCUJFC-UYAOXDASSA-N 360.454 1.548 0 40 FDAB Cc1nccc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)n1 257211972 CBJAQHPQZPVXLL-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB CCn1ncc(CNC(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)n1 528900760 SOYRGNHULZNXFM-UHFFFAOYSA-N 358.402 1.755 0 40 FDAB Cn1cc(CN2CCNC(=O)[C@H]2c2ccccc2Br)nn1 678087082 QYRCZEZLHOQXPI-CYBMUJFWSA-N 350.220 1.251 0 40 FDAB CCCN(CC1CC1)C(=O)[C@H]1CC(=O)N(CCOC)[C@@H]1c1nccn1C 1615546616 AJGJWDULMYAMSA-RDJZCZTQSA-N 362.474 1.605 0 40 FDAB COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)[C@@H]2CN3CCC2CC3)c1 601445693 GOQLVJACEJQBPE-MRXNPFEDSA-N 366.483 1.805 0 40 FDAB O=C(N[C@@H]1CCCN(C(=O)c2cnn(C3CC3)c2)C1)c1cnn(C2CC2)c1 628216952 GKIQBZZVHOWSQB-OAHLLOKOSA-N 368.441 1.784 0 40 FDAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 635015869 SNXLYQIDWTXHDZ-AWEZNQCLSA-N 354.353 1.909 0 40 FDAB C[C@@H]1CN(C)C[C@@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)O1 635572119 GTNGVMMISUYMNX-YPMHNXCESA-N 354.414 1.621 0 40 FDAB O[C@@H]1CCN([C@H]2CCC[C@H]2NCc2ccc(CN3CCOCC3)cc2)C1 643960305 RNWLUXWBPVJOIL-NJYVYQBISA-N 359.514 1.596 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)CCc2cccc(OC)c2F)C1 644033197 NJOMEIKFOZVQPS-SFHVURJKSA-N 352.406 1.257 0 40 FDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)CC1 653306696 UEQJBIPYQRAVNJ-ORAYPTAESA-N 374.441 1.963 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)c2ccccc21 572373536 AJPDPOPMYPAHMR-MAUKXSAKSA-N 368.481 1.899 0 40 FDAB COCCn1nccc1C(=O)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 585101959 NGVZZGOTVXXJOX-APWZRJJASA-N 362.474 1.389 0 40 FDAB O=C(O)CN1CCC(NS(=O)(=O)c2cc(Cl)ccc2F)CC1 581491971 OWSHMOAQIDQTOE-UHFFFAOYSA-N 350.799 1.306 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 585292014 IFDKQECJBZACDK-YXMGTMDOSA-N 366.469 2.439 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@@H]12 585109210 CXAUHTGNUXXWAJ-OAGGEKHMSA-N 357.435 1.689 0 40 FDAB O=C(CCNC(=O)c1ccc(-c2nnn[nH]2)cc1)NCc1ccccc1 75572914 BXNCHQAZDGDPFR-UHFFFAOYSA-N 350.382 1.303 0 40 FDAB Cn1cc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c(C(C)(C)C)n1 92243160 IPPSTJQDPBUZGO-UHFFFAOYSA-N 360.462 1.499 0 40 FDAB CCc1nn(CC(=O)NCc2ccncc2)c(=O)c2cc3ccsc3n12 12114324 JEIJZZNXWYVWBB-UHFFFAOYSA-N 367.434 1.985 0 40 FDAB COc1ccccc1CCCNC(=O)Cc1c(C)[nH]c2nc(C)nn2c1=O 12192025 UWCIWIRSQOBFRS-UHFFFAOYSA-N 369.425 1.335 0 40 FDAB CC(C)N1C[C@H](C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)CC1=O 12220197 CUPFXNBVOAFCOM-SNVBAGLBSA-N 359.455 1.838 0 40 FDAB O=CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 13676592 YVZPXGMLQKMFPV-UHFFFAOYSA-N 373.434 1.402 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1 16200789 YUVHCGOZDZNHAL-UHFFFAOYSA-N 366.443 1.264 0 40 FDAB CC(C)c1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)N(C)C)C1)OCC2 19454197 XVUSWKYRHYFIBZ-INIZCTEOSA-N 354.476 1.270 0 40 FDAB CC1(C)C[C@H](CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)C(=O)O1 19460965 GVSBCLGBISLDQH-STQMWFEESA-N 358.442 1.170 0 40 FDAB CCCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19502168 KNQLHHBPRIXNKV-ULMVMLMRSA-N 374.437 1.760 0 40 FDAB Cc1nn(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C 19556480 NXAIWQZWERIZFT-KRWDZBQOSA-N 354.458 1.608 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1 19749722 HXPREYDMNAEQRD-HNNXBMFYSA-N 371.441 1.743 0 40 FDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O 3596118 ANGJRZBAKJIRJZ-IBGZPJMESA-N 374.441 1.716 0 40 FDAB O=S1(=O)N=C(NCc2ccc(N3CCOCC3)nc2)c2ccccc21 10260337 UETLCCWDXORHJM-UHFFFAOYSA-N 358.423 1.157 0 40 FDAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11893090 YPSATKGTPYRBEL-SNVBAGLBSA-N 366.468 1.985 0 40 FDAB O=C([C@H]1CN(c2ccc(Br)cn2)CCO1)N1CCSCC1 1888849978 BBZXOHWJGDIVGQ-GFCCVEGCSA-N 372.288 1.625 0 40 FDAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3nnc4n3CCC4)ccc21 22191700 OWEGNPJLEQHIIN-UHFFFAOYSA-N 352.398 1.193 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 24923904 KIIXVQZFAPKRMQ-LKGOPFMKSA-N 368.389 1.804 0 40 FDAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCOCC1 2720482 NIDZZQAYACLZME-CYBMUJFWSA-N 363.395 1.533 0 40 FDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 10253142 PYQUGFPSWXUFSN-UHFFFAOYSA-N 372.402 1.545 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 12377586 FJLGRNJXHGDVEP-SUNKGSAMSA-N 360.288 1.283 0 40 FDAB COC(=O)c1ccc2c(=O)n(CC(=O)NCc3ccco3)c(=S)[nH]c2c1 16840503 XRPYYSCKRUGYQE-UHFFFAOYSA-N 373.390 1.755 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)[C@H]5CC5(C)C)C[C@H]4C3)nn12 2086896566 RZGHJDCQYPJRHF-MGPQQGTHSA-N 354.458 1.627 0 40 FDAB O=C(c1cnc2ccccc2n1)N1CCC(N2C(=O)CSC2=O)CC1 206979851 AYQGSQNTZZTUGN-UHFFFAOYSA-N 356.407 1.930 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cnoc2C)cc1 575608294 JSBDOUOBCZFXQK-UHFFFAOYSA-N 351.428 1.944 0 40 FDAB Cn1c(O)nc(N2CCC[C@@H](COc3ncccc3Cl)C2)cc1=O 2298181556 ARJUSLBJWSRDGR-LLVKDONJSA-N 350.806 1.830 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccno3)C2)n(-c2ccccc2)n1 2332241577 IOQFNSKCXMDHIG-NUEKZKHPSA-N 367.409 1.991 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1 40072675 OECJYMXOMAJNMR-XJKSGUPXSA-N 351.472 1.930 0 40 FDAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 31528398 PGLMZRBKQSDLJT-UHFFFAOYSA-N 365.389 1.544 0 40 FDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 100819208 QAJWGFBTDXAJQH-ONGXEEELSA-N 357.149 1.801 0 40 FDAB CS(=O)(=O)Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c1 812564 ILVNUWYZHYHZOW-KRWDZBQOSA-N 360.391 1.471 0 40 FDAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nc(N)c2ccccc2n1 12584315 NOMCRUGTKIOOSS-UHFFFAOYSA-N 372.406 1.941 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C(C)=O)cn1C 12569002 PADVJFOGEGAUHW-UHFFFAOYSA-N 358.350 1.810 0 40 FDAB COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1452395 SDCDYSAFASBWLV-GFCCVEGCSA-N 354.428 1.153 0 40 FDAB CN1CCO[C@@H](CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 105471625 XGAWRRBZAIYZRF-KRWDZBQOSA-N 372.469 1.669 0 40 FDAB C[C@H](OC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2c(=O)[nH]1 4492116 YVEBQPHKBNYJKJ-NSHDSACASA-N 362.349 1.817 0 40 FDAB CC(C)CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 55168461 YLMFYVWLZRNZNO-UHFFFAOYSA-N 353.413 1.885 0 40 FDAB Cc1sc(=O)n(CC(=O)N2CCN(CCc3ccccc3)CC2)c1C 55158543 FTNUYLCKBKGQQC-UHFFFAOYSA-N 359.495 1.914 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 4953974 LFVFPKJVNOVIAU-OXJKWZBOSA-N 350.168 1.254 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCCC[C@H]1C 6354368 JUGPPZMJVOASHL-XJKCOSOUSA-N 372.421 1.909 0 40 FDAB Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O 8635331 FMBQBWCUWJDZFQ-BBWFWOEESA-N 374.510 1.814 0 40 FDAB biogenic,in-vitro Cc1c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)nnn1-c1cccc2cccnc12 108391272 SQOIWINGPFHQNF-YQQAZPJKSA-N 363.421 1.967 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 26963099 UOXYJDOFTYKPAG-VIFPVBQESA-N 372.365 1.568 0 40 FDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Br)cc2)C1=O 12767605 COQASMZCQZPDEX-NHYWBVRUSA-N 371.231 1.909 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 58161964 FSXCPTZPCFEUOT-LBPRGKRZSA-N 367.471 1.994 0 40 FDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nnc(-c2ccsc2)o1 58224307 CSWJVQYNWQHFKQ-AWEZNQCLSA-N 370.434 1.944 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)c1 23435473 JZYAJOKMXBAOKK-INIZCTEOSA-N 366.464 1.764 0 40 FDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1OC 28324905 VVHYLHORJXWGOL-ZDUSSCGKSA-N 368.455 1.444 0 40 FDAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cn3ccnc3)cc2)no1 58976056 AVZCKHBADJOEBS-UHFFFAOYSA-N 353.382 1.939 0 40 FDAB NC(=O)[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccccc1 36648267 VEHPGEFGWONJIM-QGZVFWFLSA-N 374.437 1.566 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)COc2ccccc2)c(=O)[nH]c1=O 3528690 SKTSDXMZAVVVFD-UHFFFAOYSA-N 360.414 1.351 0 40 FDAB NC(=O)c1nnc2sc(-c3cccc(I)c3)nn12 57338965 MKVZIDIJOLOPNE-UHFFFAOYSA-N 371.163 1.556 0 40 FDAB NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 2652951 JVHBBGFZOWUPJB-UHFFFAOYSA-N 360.819 1.157 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C(N)=O)cc3)c(=O)c12 12984482 BHKAJWLBWVCMIP-UHFFFAOYSA-N 355.350 1.622 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)c(C)c1 12975082 AYTUSSQYKUAGLV-UHFFFAOYSA-N 360.439 1.240 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)ccc1F 13088873 NWUWWYRBWKCDTD-UHFFFAOYSA-N 368.390 1.320 0 40 FDAB O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 4184330 VXGRSEZVRLMBEG-PCPABOIYSA-N 356.513 1.381 0 40 FDAB Cc1cc2ncc(S(C)(=O)=O)c(NC(=O)[C@H]3CSCCS3)n2n1 95401685 BYJAKEPEZQTDRI-SECBINFHSA-N 372.497 1.228 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3ccccc3C(C)C)c(=O)cc2C1 96105694 DPORVNIPLLPRHY-UHFFFAOYSA-N 368.437 1.910 0 40 FDAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 4502510 ITEVEZVWQFMVCI-UHFFFAOYSA-N 370.471 1.311 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc21 14350516 AFHSXGJIPFXHJP-IBGZPJMESA-N 370.409 1.255 0 40 FDAB Cn1cc(N2CCC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)cn1 95401412 PASUKYTYENXTLO-GOSISDBHSA-N 354.458 1.128 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Nc3cccnc3)CC2)C1 66594660 CTSNUFZSZWSDAG-HZPDHXFCSA-N 359.474 1.926 0 40 FDAB Cn1cnc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)c1Cl 67950214 YSLNQVYJQFZQEG-UHFFFAOYSA-N 360.892 1.930 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306125202 CJDYSIMLMNOVBM-KBPBESRZSA-N 355.417 1.614 0 40 FDAB COc1cccc(CNCCNS(=O)(=O)Cc2ccccc2)c1OC 8168943 SRIANZDFOYPIFL-UHFFFAOYSA-N 364.467 1.913 0 40 FDAB O=S(=O)(Cc1ccccc1)NCCNc1ccc(-n2cccn2)nn1 19924187 LMOJNEWIINCMOT-UHFFFAOYSA-N 358.427 1.194 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 8744707 XZNBATSTNMFBSN-LLVKDONJSA-N 363.443 1.064 0 40 FDAB O=C(CCN1C(=O)c2nccnc2C1=O)Nc1cc(F)c(F)c(F)c1 72402511 DIPMUAARTCWUCI-UHFFFAOYSA-N 350.256 1.519 0 40 FDAB CCn1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3[C@@H]2C)cn1 306128839 HMICDCLYQITFQJ-HNNXBMFYSA-N 372.473 1.078 0 40 FDAB O=C(c1ccnnc1)N1CC[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2CC1 306133969 NAKFUFBJKOAGMN-CZUORRHYSA-N 352.398 1.034 0 40 FDAB Cc1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 30831835 JYZCIRMIFCOAGC-LLVKDONJSA-N 351.453 1.334 0 40 FDAB COc1cc2nc(NN)n(CCc3ccc(O)cc3)c(=O)c2cc1OC 408712721 LFNPKCCRYIAUKH-UHFFFAOYSA-N 356.382 1.648 0 40 FDAB Cc1ccnn1CCC(=O)N1CCc2nc3ccccc3c(=O)n2CC1 72347923 GJXVRHHNBXYRNT-UHFFFAOYSA-N 351.410 1.376 0 40 FDAB Cc1nc2c(n1CCO)CC[C@@H](NC[C@H](O)COCc1cccs1)C2 567270598 GJAKBUNWLVIEMC-CABCVRRESA-N 365.499 1.270 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)C1=O 567583902 WZJFODMOZJMDIN-GFCCVEGCSA-N 359.382 1.699 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC1 44948416 SXUJORFOSPWIHA-UHFFFAOYSA-N 370.427 1.077 0 40 FDAB Cc1cc(=O)c(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c[nH]1 572183230 NUWXDGFQIXUWLC-UHFFFAOYSA-N 355.394 1.716 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1cccnc1 96051346 OWXWNQRDQMEHAK-LJQANCHMSA-N 354.410 1.111 0 40 FDAB O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCOc2c1ccc(F)c2F 333951323 YXCKQNUOVHBJCJ-JTQLQIEISA-N 371.365 1.710 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccccn4)C3)C2)nn1 96240538 OIAIDMYPZZHZKF-YLJYHZDGSA-N 369.469 1.900 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(c1ccccn1)C2 96238253 DZSMFUBLODRJAG-GOSISDBHSA-N 356.451 1.987 0 40 FDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)n1 96215404 ZIGQDWORUJCILS-PBHICJAKSA-N 350.488 1.705 0 40 FDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccncc1 95477099 OILTWNOESRQVES-MRXNPFEDSA-N 352.394 1.455 0 40 FDAB Cc1noc(C)c1C(=O)N1CCC[C@]2(COCCN(CCN(C)C)C2)C1 96228827 PQZDXBRLVIUZMV-LJQANCHMSA-N 364.490 1.408 0 40 FDAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3cnn(C)c3C)OCC(=O)N2C)cc1 96181417 ZZGMWPPXZYPNHP-QZTJIDSGSA-N 356.426 1.252 0 40 FDAB COc1ccc2c(c1)nc1n2[C@@H](CNC2CCN(C(C)=O)CC2)COC1 96112672 NYJNSWWDUGYGHM-HNNXBMFYSA-N 358.442 1.717 0 40 FDAB biogenic,in-vitro CNC(=O)c1cc2c(nc1NCC1CC1)CCN(c1ncc(C)cn1)CC2 96260551 LORVHQWKHCFVHK-UHFFFAOYSA-N 366.469 1.967 0 40 FDAB O=C(NC[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1cccnc1 247468483 DLWHKMNLHOOJHT-CYBMUJFWSA-N 357.389 1.426 0 40 FDAB O=C(Cc1ccncc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257271680 MZIFVIQLRXSJAD-NRFANRHFSA-N 351.450 1.646 0 40 FDAB COCc1cccc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)c1 257330993 XQXQWRFWCDXGBG-KRWDZBQOSA-N 357.410 1.802 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257307717 SZYILNDYVVPDQA-INIZCTEOSA-N 356.430 1.359 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)c2ccccc2OC[C@H]2CCCO2)n1 26239834 HAUCHRLCBXYPCB-GFCCVEGCSA-N 373.413 1.435 0 40 FDAB CCN1CCN(C(=O)NC[C@@H](OC)c2cc3ccccc3o2)C(=O)C1=O 253472623 NYBWORRROOJWIU-OAHLLOKOSA-N 359.382 1.521 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1 257296960 RFEWJJDXYSUYRF-HNNXBMFYSA-N 350.382 1.579 0 40 FDAB CN1CCN(C(=O)CCCc2ccccc2)C[C@@](O)(CN2CCCC2=O)C1 257203842 ARXJOSRQOXZCEQ-NRFANRHFSA-N 373.497 1.137 0 40 FDAB CN1CCCN(C(=O)c2coc(CN3CC[C@H](O)C3)n2)c2ccccc21 685943867 FDRWKSRSTFIALA-AWEZNQCLSA-N 356.426 1.728 0 40 FDAB Cc1cc2nc(C(C)C)cc(N[C@H]3COC[C@@H]3N3CCN(C)CC3)n2n1 72425463 DEPXQEQZCZBTFZ-IRXDYDNUSA-N 358.490 1.588 0 40 FDAB Cc1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CN(C)C4)C3)CC2)cn1 1775959895 FJOUCQSZTWLXLQ-QGZVFWFLSA-N 356.470 1.259 0 40 FDAB CC[C@@H]1OC2(CCN(C(=O)c3cncc(-c4cnn(C)c4)c3)CC2)NC1=O 1615588269 ARRLIPDPIKRHDD-INIZCTEOSA-N 369.425 1.339 0 40 FDAB Cc1cccc([C@@H](C)C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 606845219 VGLMYVRDCQWQHI-AEFFLSMTSA-N 359.470 1.148 0 40 FDAB CC(C)c1ccc(C(=O)NC[C@@]2(c3nccn3C)NC(=O)NC2=O)cc1 1616034896 DAFIVFFSTJBTQO-SFHVURJKSA-N 355.398 1.008 0 40 FDAB CN(Cc1cn(C)nn1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 618812175 IRGPLXLBIPJYSK-HNNXBMFYSA-N 363.421 1.980 0 40 FDAB CCc1cc(=NC(=O)[C@H]2Cn3c(C)nnc3CN2C)c2ccccc2[nH]1 644413514 WQMFPABVWHRTES-QGZVFWFLSA-N 350.426 1.572 0 40 FDAB Cc1cncc(CCNC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)n1 661122756 HYXYYGFXJSQTKA-CRAIPNDOSA-N 367.453 1.816 0 40 FDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC[C@@H]21 585262815 IJBWORLLSVMCLG-ROUUACIJSA-N 355.438 1.949 0 40 FDAB CO[C@@H]1CN(C(=O)Cn2cc(C)nn2)C[C@]12C[C@H](c1ccccc1)CO2 585288065 OSJBJUYHEXZFGM-YQVWRLOYSA-N 356.426 1.387 0 40 FDAB COc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)ccn1 585278139 QWFKNVWQITUCTE-FQEVSTJZSA-N 356.422 1.845 0 40 FDAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585095770 JELOORWEEMCEMO-AWEZNQCLSA-N 366.443 1.278 0 40 FDAB Cn1cnc(C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 585108449 LUIPLEKFGAGBFG-QFBILLFUSA-N 371.441 1.438 0 40 FDAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCn2nnnc2C)C1 585276446 LQQZGAFALYLCOY-SFHVURJKSA-N 359.430 1.458 0 40 FDAB COCCN1C(=O)CC2(CCN(C(=O)c3ccncc3)CC2)n2nccc21 1772596188 QZPVARHSENJQFC-UHFFFAOYSA-N 369.425 1.293 0 40 FDAB CCn1c(=O)n(CC(=O)N2CCN(c3nccs3)CC2)c2ccccc21 11188064 OMYNUZRLOMAFCX-UHFFFAOYSA-N 371.466 1.628 0 40 FDAB CCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2 14401466 BBAKBEWKMKAYKC-UHFFFAOYSA-N 366.395 1.481 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC(C)C)cc1 16575545 MFYYDACNRZEQQQ-UHFFFAOYSA-N 358.460 1.247 0 40 FDAB COc1ccccc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 18023636 PIGZVFPCGLVFIP-UHFFFAOYSA-N 361.398 1.606 0 40 FDAB CN(C)C(=O)/N=c1/ss/c(=N\C(=S)N(C)C)n1-c1ccccc1 18252111 ICECZHHAXIVRJW-ZNOBWPMYSA-N 367.525 1.930 0 40 FDAB Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Cl)cc1F 501676358 FUBKESDCRLCZIT-IUODEOHRSA-N 350.781 1.962 0 40 FDAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)O 101273669 ISNDLHIPIULAAM-NEPJUHHUSA-N 370.814 1.294 0 40 FDAB COc1ccccc1NC(=O)c1sc2ncn(CC(N)=O)c(=O)c2c1C 791263 CPXWXEJAVDFDDX-UHFFFAOYSA-N 372.406 1.513 0 40 FDAB CCN(CC)CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233514 XKMYIUBCYVJCSB-UHFFFAOYSA-N 370.457 1.252 0 40 FDAB CSc1nc(C)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888888161 KQVURIYYWIUTSN-UHFFFAOYSA-N 356.459 1.510 0 40 FDAB CN([C@@H]1CCN(c2ncnc3[nH]ccc23)C1)S(=O)(=O)Cc1ccccc1 1888906293 RIWMTSMVQGLRAQ-OAHLLOKOSA-N 371.466 1.998 0 40 FDAB O=c1c2ccc(F)cc2ncn1CC1CCN(CCn2ccnn2)CC1 1849466866 CTDGLUVKXBJINF-UHFFFAOYSA-N 356.405 1.539 0 40 FDAB Cc1cc(NC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)no1 24687486 JXSHLYZXYSBHMW-UHFFFAOYSA-N 352.416 1.991 0 40 FDAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24675971 KTPFODWKIPAVIL-HNNXBMFYSA-N 354.472 1.613 0 40 FDAB CCn1ccc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)n1 2037984462 BVKDLHWSGUUDNK-FQEVSTJZSA-N 368.437 1.799 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1565554654 WXEIJRGGQNNQJN-JKSUJKDBSA-N 365.437 1.037 0 40 FDAB Cn1cccc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)c1=O 1565549663 YJQHBDNVHPRGSB-IKGGRYGDSA-N 355.394 1.231 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ccnn3C)CC2)C[C@@H]1COC 1565542365 VLMUJCMQUUKGGQ-OAHLLOKOSA-N 350.463 1.010 0 40 FDAB CCOC(=O)c1c(SCC(=O)Nc2cc(C)on2)nc(=O)[nH]c1C 4317611 LLUWGPCWRJTBRL-UHFFFAOYSA-N 352.372 1.282 0 40 FDAB NC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc2c1CCCC2 6671621 POVOQEXSUAVADV-UHFFFAOYSA-N 358.423 1.376 0 40 FDAB CCCc1cnc2c(c1S[C@H](CC)C(=O)O)c(=O)n(C)c(=O)n2C 10216861 NYKDRWVFCJDFEV-SNVBAGLBSA-N 351.428 1.540 0 40 FDAB O=C(c1cccc(Cl)n1)N1CCc2nnc(Cn3cccn3)n2CC1 2055713442 PZDYHKNCLYFTFV-UHFFFAOYSA-N 357.805 1.270 0 40 FDAB O=C(CCSc1ccccc1)NCCOCCN1C(=O)CCC1=O 575618481 AQGHHSYWWIJALK-UHFFFAOYSA-N 350.440 1.451 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1F 585149157 IVGFWNWUUCYGFT-UHFFFAOYSA-N 366.418 1.939 0 40 FDAB Cc1nc(CN(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)no1 585593435 CTDYWJWKXMVYHU-UHFFFAOYSA-N 354.418 1.404 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830577 LYAUNEXXMCDBPE-RDBSUJKOSA-N 365.455 1.353 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-n3ccnc3)cc2)cc1 24050150 JZYIBLWYUPNONT-UHFFFAOYSA-N 370.434 1.492 0 40 FDAB COc1cc(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)cc2c1OCCO2 30387969 OIKOIXOGXFQKRX-CQSZACIVSA-N 355.394 1.852 0 40 FDAB CONS(=O)(=O)c1ccc(C(=O)NCCSC2CCCC2)cc1 40154079 RKKBXGPXHNYMHH-UHFFFAOYSA-N 358.485 1.932 0 40 FDAB C[S@@](=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 50536652 WPIAMWMKTKSKTG-HAWMADMCSA-N 373.430 1.701 0 40 FDAB Cc1cc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc(C)c1Cl 20352285 LZSLHUIUKKOGIA-UHFFFAOYSA-N 360.863 1.439 0 40 FDAB Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)C(=O)N1CCNC1=O 32776046 RQRNKWNGVILRPU-ZDUSSCGKSA-N 355.394 1.878 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)COc1ccccc1 32982395 IDQLVTYVJUTLON-UKRRQHHQSA-N 350.415 1.274 0 40 FDAB O=C(CN1CCN(Cn2c(=O)oc3ccccc32)CC1)N1CCCCCC1 22788256 SOZIKLQLXPGBNM-UHFFFAOYSA-N 372.469 1.572 0 40 FDAB COCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71280962 ADXGZJWIAURJTH-IAGOWNOFSA-N 372.421 1.860 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 3459665 BOZJDNBWUWXIIT-KRWDZBQOSA-N 354.391 1.723 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCCOc1ccccc1 6120573 HLBGQVPPPCBSMY-UHFFFAOYSA-N 351.380 1.578 0 40 FDAB CCOC(=O)CC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C 6915271 SIPNPMFCEUZPNE-UHFFFAOYSA-N 360.414 1.369 0 40 FDAB Cc1c([C@H](C)NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cnn1C 25001899 QRAVESYMXBHZIB-JTQLQIEISA-N 370.500 1.373 0 40 FDAB C[C@@H]1CCCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 106749096 QHRUMXOEIMZRML-BRWVUGGUSA-N 358.486 1.667 0 40 FDAB CCOC(=O)c1nnsc1NC(=O)N1CCN(c2ccccn2)CC1 25186084 ULXSOKJLHTVESP-UHFFFAOYSA-N 362.415 1.464 0 40 FDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)o1 25739208 NWGDIHNQJIAGLS-LGVMCUBASA-N 367.471 1.367 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 100187850 JUXBTDMKFADEDD-AVRGHOLYSA-N 364.195 1.645 0 40 FDAB Cn1c(=O)c2cc(NC(=O)c3ccccc3Cl)c(=O)oc2n(C)c1=O 3263452 XREBFQKPLURGEF-UHFFFAOYSA-N 361.741 1.096 0 40 FDAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3cccnc3)cc21 9975313 JWHFSGLPFXRDNW-UHFFFAOYSA-N 367.409 1.361 0 40 FDAB COc1ccc([C@H]2Nn3c(nnc3C(F)(F)F)S[C@@H]2C(N)=O)cc1 27752681 UVINPQDAYONPDV-BDAKNGLRSA-N 359.333 1.550 0 40 FDAB CS[C@@H]1CN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C[C@@H]1N(C)C 95444677 XZHUIUGRNRYWBM-HRCADAONSA-N 355.548 1.918 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)Cn1c(-c2cccs2)noc1=O)C(=O)OC 58216135 SDFSKISOUWZRTJ-SKDRFNHKSA-N 353.400 1.269 0 40 FDAB CCC(=O)N1CCN(c2ccccc2[C@H]2C[C@H](C(=O)OC)CC2=O)CC1 57327992 NFMQTUJIRLMJJH-GOEBONIOSA-N 358.438 1.981 0 40 FDAB Cc1ccc([C@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 58264603 MRMRMWUUXVXFFZ-CVEARBPZSA-N 370.540 1.634 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1C[C@H](C)O[C@H](C)C1 12602685 IPQSTVCRFMSTPP-PHIMTYICSA-N 359.430 1.013 0 40 FDAB Cc1noc2nc(C3CC3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 48277307 DBXOHYRKRJOHIA-UHFFFAOYSA-N 356.304 1.817 0 40 FDAB COCCN1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 58307024 PQNIQUDPHXAGAD-SFHVURJKSA-N 358.442 1.927 0 40 FDAB O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12793826 CLXYMPHGTMUJKT-UHFFFAOYSA-N 355.435 1.784 0 40 FDAB CN(CCCNC(=O)c1ccc(CS(C)(=O)=O)cc1)CC(F)(F)F 36397425 YMOCUMFLHUEBCH-UHFFFAOYSA-N 366.405 1.845 0 40 FDAB COc1ccc(OC)c([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)c1 36678920 KTCYJXGABFVZPV-YVEFUNNKSA-N 373.409 1.333 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)c(C)c1 3326490 LPEIOVWARWTGQC-UHFFFAOYSA-N 354.428 1.001 0 40 FDAB CN1CCN(c2ccc(CNCc3cnc(N4CCCC4)nc3)cn2)CC1 48314446 AXRLDCHHWRWEJZ-UHFFFAOYSA-N 367.501 1.513 0 40 FDAB COc1ccc(OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C=O)c1 11480604 JHLUGVOJTSBJNU-UHFFFAOYSA-N 364.379 1.173 0 40 FDAB Cc1ccccc1N(CC(=O)NCCOc1ccccc1)S(C)(=O)=O 25644012 IHUCOPBOBNDJGF-UHFFFAOYSA-N 362.451 1.956 0 40 FDAB Cc1ccccc1CN(C)C(=O)NCCCn1nc2n(c1=O)CCCC2 47160845 RLUMMLPBUNMKNA-UHFFFAOYSA-N 357.458 1.921 0 40 FDAB O=C(CNC(=O)CNC(=O)c1cccs1)NCCc1cccs1 8986100 OEJJWSLNTKFXJV-UHFFFAOYSA-N 351.453 1.015 0 40 FDAB CC(=O)Nc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 13100145 YEXSOCHULCGYLI-LJQANCHMSA-N 366.377 1.757 0 40 FDAB Cc1nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)no1 96000511 PWECJKMEMUEDBV-ZDUSSCGKSA-N 357.819 1.935 0 40 FDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NC(=O)Cc1cccc(F)c1)CCC2 96002937 FDBRXQXEGGVDRF-INIZCTEOSA-N 358.417 1.847 0 40 FDAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)C3CC3)n2CC(N)=O)c1 14163181 UNDOSJFOCGKGLU-LBPRGKRZSA-N 373.482 1.746 0 40 FDAB O=C(CSc1ncccn1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 6538744 FYVBVRFDDKKNLG-AWEZNQCLSA-N 369.512 1.917 0 40 FDAB COc1ccc(-n2c(O)nc3nc(NC[C@H]4CCCO4)ncc3c2=O)cc1 67263555 YSKKWWQGFFBPED-CYBMUJFWSA-N 369.381 1.481 0 40 FDAB COc1ccccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC 6786752 QBSCWQIBEQFWIT-UHFFFAOYSA-N 350.396 1.281 0 40 FDAB C[C@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)N[C@@H]1CCCCNC1=O 68145886 UGLKPGSRXDMUCR-ZWNOBZJWSA-N 374.409 1.226 0 40 FDAB O=C(Cn1nnc(-c2cccs2)n1)NCC(=O)Nc1ccc(F)cc1 7780559 WDQYHSLWHFXSIP-UHFFFAOYSA-N 360.374 1.296 0 40 FDAB O=C1CN([C@@H](CO)c2ccccc2)C(=O)CN1[C@@H](CO)c1ccccc1 22052312 QBDNINOGEAFNCR-ROUUACIJSA-N 354.406 1.124 0 40 FDAB in-vitro Cc1cc(C)n(Cc2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2)n1 95392528 KFEIAADFLMUXPV-SFHVURJKSA-N 361.467 1.855 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N3CCOC[C@@H]3c3ncon3)c2O1 95981394 HXZJMOJBPMGLNH-CYBMUJFWSA-N 359.382 1.762 0 40 FDAB COCCCn1ccc(NC(=O)N2CCN(C(=O)c3ccncc3)CC2)n1 89410389 IFBOKCDTBBXYGR-UHFFFAOYSA-N 372.429 1.305 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N[C@@H]1c2ccccc2C[C@H]1O 89857870 CKPJJXWNICSEBJ-JFIYKMOQSA-N 372.446 1.863 0 40 FDAB CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)CC1 22581531 BMMOKNJJFNQOTB-ZDUSSCGKSA-N 357.410 1.333 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCN2C(=O)COc3ccccc32)n1 23246552 CLAMETHNQUCEPK-UHFFFAOYSA-N 356.426 1.822 0 40 FDAB Cc1cc(N2CC3(C[C@H](Oc4cccnc4)CS3)C2)n2ncnc2n1 306144648 ZKXBIKLZLVWXCK-AWEZNQCLSA-N 354.439 1.971 0 40 FDAB CCn1c([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n[nH]c1=O 67726679 AERXCERNFGEZJR-AWEZNQCLSA-N 364.471 1.776 0 40 FDAB COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)N1CCCC1 306133738 MTXYDMOKJAGDSL-KRWDZBQOSA-N 374.485 1.877 0 40 FDAB NC(=O)c1ccc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)cc1 70812789 OOABUJWPKZRFRG-UHFFFAOYSA-N 362.389 1.978 0 40 FDAB O=C(O)C[C@H]1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 559337189 ABPBBDFZJWWWJB-SSDOTTSWSA-N 360.775 1.260 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc1 74396051 NFFPSXXKRWTHPM-UHFFFAOYSA-N 350.426 1.877 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)c3ocnc3-c3ccccc3)CC2)C1=O 567721743 QNENRWAWTVPJRM-INIZCTEOSA-N 368.437 1.767 0 40 FDAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1cccnc1)CC2 41428634 MPVRMUWHXKNFRS-UHFFFAOYSA-N 355.394 1.414 0 40 FDAB biogenic O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccccc1 49408845 CGWFDWUTNVEIFS-UHFFFAOYSA-N 361.423 1.272 0 40 FDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2cccnc2)s1 225127195 IRMGLQHUNUKIRK-UHFFFAOYSA-N 355.445 1.396 0 40 FDAB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccs1 225128388 MCSCYWRZZLWDIY-UHFFFAOYSA-N 369.420 1.903 0 40 FDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCSc2ccc(Cl)cc21 40013538 OGXKMXNJMYIWIU-QWRGUYRKSA-N 353.831 1.981 0 40 FDAB O=C(c1csnn1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@H]2C1 96251795 YHHZOOYRORRPJZ-MAUKXSAKSA-N 358.467 1.246 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106899 HWZUYILWGHPXHH-INIZCTEOSA-N 354.410 1.852 0 40 FDAB O=C(CC1CC1)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244194 KLUMLPNHEXVXHQ-LJQANCHMSA-N 358.442 1.114 0 40 FDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)c4ccncc4)CCO3)C2)nn1 96226556 MZDOEWNJHMFKQJ-LJQANCHMSA-N 353.426 1.692 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1 248065411 DWSHTJMKMMHMNI-HNNXBMFYSA-N 366.487 1.746 0 40 FDAB CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccnn1C)C2 248103089 FGXBTVGSASOVHL-OAHLLOKOSA-N 355.442 1.431 0 40 FDAB CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@H]3C1=O 248095866 YAFNSGRWAMGEPN-NHAYFPRASA-N 353.422 1.199 0 40 FDAB Cn1ccnc1C(=O)NCC[C@H]1CCOC12CN(Cc1nccs1)C2 248079974 AGAAMTLAYNAHBS-ZDUSSCGKSA-N 361.471 1.288 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)c(=O)n1C 257311694 UKQJQLBHKRGDCN-INIZCTEOSA-N 356.426 1.368 0 40 FDAB CCN(CCO)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1OC 257327392 XBDOEWXPKSKXLN-QAPCUYQASA-N 364.442 1.072 0 40 FDAB CCc1noc(C)c1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257234512 GTVKENBYLDGGHF-SNVBAGLBSA-N 352.416 1.302 0 40 FDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1nnc2ccccn12 26503881 AWKODOPGJLXTRA-UHFFFAOYSA-N 366.377 1.780 0 40 FDAB CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 645964046 KQRAXGXMPAMPTP-MRVPVSSYSA-N 353.318 1.813 0 40 FDAB C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CCc2ccc(Cl)cc21 650522730 UMJSUENIJKRSJY-GFCCVEGCSA-N 361.829 1.389 0 40 FDAB CCC1=C(C(=O)N2C[C@@H](OC)C[C@H]2c2nnc(O)n2CC)CCCO1 1775957424 UEHPOIXMLUQJEJ-AAEUAGOBSA-N 350.419 1.767 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 35286854 ALOKUSOORRIAFZ-IBGZPJMESA-N 357.479 1.900 0 40 FDAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1cn(-c2ccccc2F)nn1 1775968609 GVPQBGYDSDCHOJ-UHFFFAOYSA-N 363.352 1.767 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2ccccn2)n1 12088952 OOSOFVBFMGGBBC-UFRUDQCGSA-N 354.454 1.895 0 40 FDAB Cn1cncc1CN1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 19291829 NLBNPTDKKSDHMK-HNNXBMFYSA-N 356.474 1.873 0 40 FDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2N1 19345445 JOOZRCSPURTXHM-MRXNPFEDSA-N 358.394 1.618 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19580349 QUYWQOIRQVAFPM-CQSZACIVSA-N 356.426 1.743 0 40 FDAB COCC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)OC(C)(C)C)C2 19707266 GQFHQJIQVDPLBP-GFCCVEGCSA-N 365.434 1.339 0 40 FDAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 16899944 QZXBDPLUBSEOKX-NWDGAFQWSA-N 370.814 1.294 0 40 FDAB O=C([C@@H]1CN(Cc2ccccc2Br)CCO1)N1CCOCC1 1889130277 PUWOKTGKESEACG-HNNXBMFYSA-N 369.259 1.509 0 40 FDAB Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 1857743023 REJHVSOVQBJEBF-UHFFFAOYSA-N 370.408 1.515 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc3n2CCN(C)C3)CC1 2037838542 NASAQXJWUWNKGC-HNNXBMFYSA-N 369.469 1.897 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)c1cccc(Cl)c1)CCO2 2037985500 LVVYGHGFDJIKAF-GOSISDBHSA-N 366.845 1.818 0 40 FDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1565544502 MKCUMWRMBXEOEL-UHFFFAOYSA-N 358.398 1.582 0 40 FDAB CC(C)(C)OC(=O)C(Cl)(C(=O)OC(C)(C)C)c1ccc2nnnn2n1 2601369 XJHVVDWOURCRQH-UHFFFAOYSA-N 369.809 1.637 0 40 FDAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)CCF)CC2)O1 2055795658 AHGDBCVSHPOIIU-CQSZACIVSA-N 366.437 1.328 0 40 FDAB Cc1csc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)c1 2055785291 REMYTRINEPYILG-WMLDXEAASA-N 365.455 1.615 0 40 FDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2cccnn2)C1 225420682 OLSAAAYVEMSJJU-CQSZACIVSA-N 365.459 1.713 0 40 FDAB Cc1ccc(C(=O)NCCn2nc([C@H]3CCNC3)c3nccnc32)s1 19217103 QVDCKQOZKKTUOC-LBPRGKRZSA-N 356.455 1.703 0 40 FDAB NC(=O)[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 40033787 QGRYLZLCWFMCQE-SFHVURJKSA-N 363.373 1.675 0 40 FDAB Cc1nc(NC(=O)CCNC(=O)OC(C)(C)C)sc1SCC(N)=O 31120020 XJBXWHDJVNBYJM-UHFFFAOYSA-N 374.488 1.882 0 40 FDAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100561000 KFSGQTBZORVWCO-LSOMNZGLSA-N 367.401 1.836 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)cc1 20744444 OZBSTICEXSCWDT-HNNXBMFYSA-N 373.453 1.375 0 40 FDAB Cc1cccc2nc(CSc3n[nH]c(=O)n3C[C@@H]3CCCO3)cc(=O)n12 21099977 FSZCEVRXIALIPP-ZDUSSCGKSA-N 373.438 1.359 0 40 FDAB O=C(CN1C(=O)CNC1=O)NCCC(c1ccccc1)c1ccccc1 32766736 SRJFTVXLHMYHHO-UHFFFAOYSA-N 351.406 1.877 0 40 FDAB CNC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCC1 32760452 ZSYPAZZJPPWZIO-UHFFFAOYSA-N 360.443 1.879 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2-c2cc(C)ccc2C)CC1 21740932 YCCKBZNLMJUBAM-HNNXBMFYSA-N 374.514 1.924 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1C 32905408 BAHQWYJTQPATSK-SFHVURJKSA-N 372.513 1.870 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 52940658 URIWUVJADRVHIR-WFASDCNBSA-N 367.471 1.494 0 40 FDAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(c3ncccn3)CC2)C1=O 22729287 IIBALWOXPQLVHN-INIZCTEOSA-N 351.410 1.239 0 40 FDAB CN(CC(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(=O)c1ccco1 22900874 ILHVUIMJKBHJAB-UHFFFAOYSA-N 359.382 1.366 0 40 FDAB CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(C)n2)cc1 47394020 YFDBISQBJJLDGC-UHFFFAOYSA-N 364.427 1.894 0 40 FDAB CCOc1ccccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 47338755 OSZAWWVCIPDANE-UHFFFAOYSA-N 370.457 1.819 0 40 FDAB C[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC(=O)NC1CC1 23345493 VPEHPDYNRIRFSM-LBPRGKRZSA-N 356.382 1.335 0 40 FDAB C[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 47793325 LZUIHNKNQRQQKT-QGZVFWFLSA-N 368.522 1.041 0 40 FDAB Nc1cc(N)nc(SCC(=O)NCCc2nc3ccccc3s2)n1 12533848 BROWNBIBWRATBA-UHFFFAOYSA-N 360.468 1.702 0 40 FDAB O=C(NC1CCC(O)CC1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 79075640 XOHWHFVWFPZDDK-OOJKYFRXSA-N 354.472 1.886 0 40 FDAB O=C(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583339 DUMXBMLAZPDUIW-UHFFFAOYSA-N 353.426 1.276 0 40 FDAB CC(=O)c1ccccc1OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100394247 LHGJBCACLIKDFZ-QBXQWZBTSA-N 365.385 1.848 0 40 FDAB O=C(c1ccco1)N1CCN(C[C@H](O)COCc2cccs2)CC1 25336221 KBJIPXHGTSPNPX-AWEZNQCLSA-N 350.440 1.677 0 40 FDAB CCN1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)CC1 54360521 QUPNDGYOTOSBKJ-UHFFFAOYSA-N 356.451 1.995 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(CN2CCOCC2)c1 58201986 GLKFODORJZAUBO-OAHLLOKOSA-N 366.487 1.247 0 40 FDAB O=C(O)CCNC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 2235626 VZCQUKDVDRKMGJ-UHFFFAOYSA-N 358.398 1.189 0 40 FDAB CN(C(=O)CSc1nnc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 3377394 AUOYIYSHDIUVRL-GFCCVEGCSA-N 367.452 1.474 0 40 FDAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324552 FTOLKVKRBRWTFG-CYBMUJFWSA-N 354.472 1.942 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 10640685 LJAAXWJIRIWBLH-ZDUSSCGKSA-N 358.394 1.474 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)CCCOc2ccccc2C)CC1 60093116 UFVPEWWRSGAUFB-UHFFFAOYSA-N 361.486 1.824 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102182833 JEOLWQPVXWMWMG-MISXLKTNSA-N 373.361 1.721 0 40 FDAB CCCCCNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029641 PORBBQRBYNHTMC-HNNXBMFYSA-N 373.496 1.567 0 40 FDAB Cc1cc2c(nc1C)sc1c(=O)n(CC(=O)N3CCOCC3)cnc12 12324896 KPBIYRFRNKZGLB-UHFFFAOYSA-N 358.423 1.482 0 40 FDAB Cc1nc2ncnn2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 12925861 XBLCHPWCGGPSLX-INIZCTEOSA-N 368.441 1.830 0 40 FDAB CNC(=O)c1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 95462889 UIDHLDOTYMZVPH-UHFFFAOYSA-N 356.407 1.985 0 40 FDAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)o1 409213401 UFDCZMPTOGGHTP-BFTHVDOESA-N 350.396 1.920 0 40 FDAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCOCC2)n1C 14077345 TUWHROCBMVRURD-LBPRGKRZSA-N 362.455 1.830 0 40 FDAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 4546270 JYGXADMDTFJGBT-NDNUHCHRSA-N 362.466 1.782 0 40 FDAB CC(=O)NCC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 4520188 WVUOGYCCCLZNTO-UHFFFAOYSA-N 353.444 1.182 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 4694586 LEHBBOVYVZFCEO-UHFFFAOYSA-N 362.407 1.983 0 40 FDAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)N21 6755291 PPLIVIKKSDTKPB-SNVBAGLBSA-N 366.830 1.290 0 40 FDAB Cc1nnc(SCC(=O)Nc2ncc(Br)s2)[nH]c1=O 8018696 LAAFWRQMGFJXJG-UHFFFAOYSA-N 362.234 1.423 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(N)=O)CC2)c1 8848963 ZSVOCKRKHLPWDA-LBPRGKRZSA-N 361.398 1.550 0 40 FDAB COc1cc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc(OC)c1OC 28021606 DHABJGCWGAETAT-UHFFFAOYSA-N 373.365 1.780 0 40 FDAB CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2cc(C)ccc21 22234751 DWVKROGDPHIMDH-UHFFFAOYSA-N 357.454 1.782 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)[C@@H]3C[C@H]3C3CCC3)ccc21 408502708 TXFHLEKWJSSQQG-QWHCGFSZSA-N 363.439 1.118 0 40 FDAB Cc1cc(Cl)ccc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22932705 NWKKLFZOTTVEAR-UHFFFAOYSA-N 364.877 1.483 0 40 FDAB Cc1csc(-n2nnc(C(=O)N3CCN(c4ccccn4)CC3)c2C)n1 56933659 BAENZTMOHWQPNC-UHFFFAOYSA-N 369.454 1.698 0 40 FDAB N=C(/N=C(\O)OCC1c2ccccc2-c2ccccc21)NC[C@@H](N)C(=O)O 71245283 NKTVJMCOCXOHFQ-MRXNPFEDSA-N 368.393 1.666 0 40 FDAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)[C@@H]3CCCO3)cc12 40266304 ZULXXTWXJWDPRT-HNNXBMFYSA-N 361.398 1.210 0 40 FDAB NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 40399510 KSXXHIITCHMBCG-MRVPVSSYSA-N 368.180 1.731 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NC[C@H]1CC(=O)N(c3ccccc3)C1)C2 225522767 GVPVUZCOHOAQTE-CABCVRRESA-N 352.438 1.992 0 40 FDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(C)n([C@H](C)CC)n2)C1 330680779 FZNIEJSXTZYJSR-YPMHNXCESA-N 357.480 1.708 0 40 FDAB COc1ccc(CN2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cc1 97952722 NLNGVFKYPPOMEN-IBGZPJMESA-N 360.458 1.001 0 40 FDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(C(=O)c2cccs2)CC3)cn1 96059519 TXFHLFFRDODFPL-UHFFFAOYSA-N 370.438 1.264 0 40 FDAB Cc1cn2c(CN[C@@H]3CCCN(c4nccn(C)c4=O)C3)c(C)nc2s1 583621986 CEINJOIGFWTHAC-CQSZACIVSA-N 372.498 1.865 0 40 FDAB O=C(NCC1CCCCC1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1 96253264 RXXCRHKIMPXLHU-IXDOHACOSA-N 365.474 1.224 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@H](COCc1cccnc1)C2 96106155 PWHQJSSYAFMEDU-INIZCTEOSA-N 354.472 1.819 0 40 FDAB O=C(N[C@@H]1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1)c1ccccn1 96221134 WPWNAXMWWULTBM-AWEZNQCLSA-N 354.410 1.603 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@H]1CN[C@@H]1CCCC12CCOCC2 582114290 GEISKUHOAASODE-JKSUJKDBSA-N 359.536 1.586 0 40 FDAB Cc1cccc(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)n1 257247807 JAOXWHQHUNKOPE-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257226676 FLQRGBZOVPALPO-ZDUSSCGKSA-N 353.382 1.532 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257249991 JKNWHIHHYYMNEE-MRXNPFEDSA-N 352.398 1.523 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)CCn1ccnc1 257323093 WISUJLOKULBDFF-GFCCVEGCSA-N 351.432 1.154 0 40 FDAB CCn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cn1 257209963 BSODFVVSRADHLY-YJBOKZPZSA-N 354.458 1.791 0 40 FDAB CCn1nccc1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257281656 OQIVXVXAQBNAHK-CQSZACIVSA-N 363.487 1.951 0 40 FDAB CCC[C@@H](C(=O)Nc1ccccc1N1CCC(CO)CC1)S(N)(=O)=O 612433892 JQVLZRHXLJSKHI-INIZCTEOSA-N 369.487 1.291 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c1 1632290189 HVGIBLYMMRSMQB-AWEZNQCLSA-N 372.402 1.775 0 40 FDAB Cn1cc([C@@H]2CCN(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2)cn1 604809574 OQSOREFJCCKGRG-CQSZACIVSA-N 371.441 1.817 0 40 FDAB CC[C@H]1OC2(CCN(C(=O)c3cncc(-c4cnn(C)c4)c3)CC2)NC1=O 1615588270 ARRLIPDPIKRHDD-MRXNPFEDSA-N 369.425 1.339 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CCO1 663027460 VHLGKKNXAXUBFD-RYQLBKOJSA-N 374.437 1.259 0 40 FDAB C[C@H]1[C@H](O)CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 297390778 KKWQWFFIUIZDLN-SUMWQHHRSA-N 363.433 1.985 0 40 FDAB O=C(C1CC(O)C1)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 585113538 CXOORYZHTXHSEU-JMLCCBQJSA-N 350.484 1.570 0 40 FDAB C=CC(=O)N(CC)CC(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1520601131 ANCGLKQUTXLQBG-LLVKDONJSA-N 373.379 1.396 0 40 FDAB Cn1nc(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc2c1=O 56952288 YUBGUARJLWMBRN-AWEZNQCLSA-N 367.409 1.490 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 5026339 YAOAZROSIBRBOS-UHFFFAOYSA-N 368.411 1.095 0 40 FDAB COC(=O)[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccc(F)cc1 12143312 HASQNSHQUZUZJV-CVEARBPZSA-N 368.368 1.897 0 40 FDAB O=C([C@H]1CCCO1)N1CCC(Cn2nc(-c3ccco3)ccc2=O)CC1 12157969 KNQLYMROKIMWIG-QGZVFWFLSA-N 357.410 1.921 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19402478 IBEMZXNOELVOLN-MRXNPFEDSA-N 353.426 1.591 0 40 FDAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCCN2CCOCC2)n1 19457498 ZENOPKKWXRSGRU-LBPRGKRZSA-N 366.853 1.168 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)o1 603087151 OSWYATHCORFALX-UHFFFAOYSA-N 350.396 1.772 0 40 FDAB COc1cc(OC[C@H]2COC(=O)O2)ccc1COC[C@H]1COC(=O)O1 627276196 BGJXLAVSNUYOBO-STQMWFEESA-N 354.311 1.661 0 40 FDAB CCCN(C(=O)CC1=CC(C)(C)NC(C)(C)C1)[C@@H]1COC[C@@H](O)[C@H]1O 643585502 QOPYJHRWGDEUMB-INMHGKMJSA-N 354.491 1.213 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)/C=C/C(=O)O)C=C1COC(=O)[C@@]12O 252516653 VRZDHXFAIKNSLX-VIESYBELSA-N 364.394 1.600 0 40 FDAB biogenic,in-vitro Cc1nc(N2C[C@@H]3CN(c4nc(C5CC5)ns4)C[C@H]3C2)nc(O)c1F 1888866374 NWJZWPFRHIICJR-GHMZBOCLSA-N 362.434 1.931 0 40 FDAB Cc1nc2ccccc2nc1N1CCO[C@@H](C(=O)N2CCSCC2)C1 1888869698 QZNCQLYZSSZOTK-MRXNPFEDSA-N 358.467 1.719 0 40 FDAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 1889085900 LMFTTZZVMFIDDM-SECBINFHSA-N 356.352 1.884 0 40 FDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 1616183644 GVSQOWIVSCKSIO-OAHLLOKOSA-N 352.456 1.390 0 40 FDAB COc1ccc(C(=O)Nc2nnc(SCC(N)=O)s2)cc1OC 4328369 QHPNJQXPSCPZOS-UHFFFAOYSA-N 354.413 1.385 0 40 FDAB COCC(=O)NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1 11693925 WLVILGMZSHSJCN-UHFFFAOYSA-N 361.789 1.586 0 40 FDAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCN2CCOCC2)c1C 12372611 QHWBWGBMRXVIEP-UHFFFAOYSA-N 363.483 1.852 0 40 FDAB Cc1nc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)cs1 2055793579 ZBEUSDDKMVZILI-QGZVFWFLSA-N 374.470 1.369 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2cccc(C)n2)CC1 2055772911 VDXNGHJKCOQHCC-UHFFFAOYSA-N 357.458 1.340 0 40 FDAB Cn1cnnc1SCCNC(=O)c1ccc(O[C@H]2CCSC2)nc1 225712227 IPRTWTYDQWPWHC-LBPRGKRZSA-N 365.484 1.617 0 40 FDAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CC(=O)Nc2ccccc21 30009860 AAFAUDLQVOUJJE-JTQLQIEISA-N 351.366 1.642 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@H]1CS[C@@]2(C)CSCC(=O)N12 40149021 OPIBDZDLGKJVFG-PBHICJAKSA-N 366.508 1.931 0 40 FDAB COc1cc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)ccc1O 20265874 ZURLOWJOKBCYNB-NTEUORMPSA-N 350.396 1.727 0 40 FDAB COc1ccccc1NC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100635921 CPPAACPROCJKKS-APYUEPQZSA-N 355.394 1.624 0 40 FDAB aggregator CSc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)ccc1NC(C)=O 51572017 KSDMFRJGRUDIRC-GFCCVEGCSA-N 364.423 1.619 0 40 FDAB CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 32675830 AVDDRLWLEIEQEI-ZDUSSCGKSA-N 372.450 1.822 0 40 FDAB Cc1cnc(C(=O)NCc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)cn1 53127352 OURTYOZBLVYGEV-UHFFFAOYSA-N 367.409 1.545 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2F)CC1 2953693 HJNHKEOJNOSYNC-UHFFFAOYSA-N 369.396 1.900 0 40 FDAB NC(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1C1CC1 23351040 ZOXHCDDWIVKQJV-UHFFFAOYSA-N 371.466 1.860 0 40 FDAB C[C@H](OC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(N)=O 12426414 JSMKPNWOYZEZQC-WKEGUHRASA-N 362.329 1.925 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1c(Cl)cccc1Cl 25462829 IEJOVKRJWLQTDP-UHFFFAOYSA-N 353.271 1.994 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 3610437 YTLPNZMKHIFHLZ-FQEVSTJZSA-N 351.406 1.813 0 40 FDAB C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1 4748745 XWQVDFNFNSKQER-SDDRHHMPSA-N 360.863 1.643 0 40 FDAB CCOC(=O)[C@H](CC)Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 4959698 IKIUWOFSHWVNSQ-VIFPVBQESA-N 366.399 1.631 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)n3cncn3)[C@@H](C)C2)cc1 106177645 UMWJRPGCXVDTTO-KBPBESRZSA-N 357.414 1.363 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCn2nnc3ccccc3c2=O)cc1 24711415 CSDDTOOWIPRMTM-UHFFFAOYSA-N 374.422 1.121 0 40 FDAB CCN(Cc1ccc(Br)s1)C(=O)Cn1ccc(=O)[nH]c1=O 55489934 KHRONCRDWKAZEM-UHFFFAOYSA-N 372.244 1.409 0 40 FDAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)c2cccn2C)c1C 12615629 MMELQQMNVMQCAS-UHFFFAOYSA-N 370.438 1.666 0 40 FDAB COC(=O)c1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1 12605546 SZTCGXVUUZNFDE-UHFFFAOYSA-N 362.407 1.775 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48131752 KSLJTZPCSHPCKY-HOTGVXAUSA-N 372.429 1.854 0 40 FDAB CNC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 58171115 QQRQGTWUAHNZTP-CYBMUJFWSA-N 370.247 1.668 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O 58438855 PFAMIFFEZXPXNB-NWDGAFQWSA-N 359.386 1.303 0 40 FDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21 2396231 HCNSCFLXMRLHNI-KRWDZBQOSA-N 360.439 1.825 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108535510 WLNUDPGNUAGJSE-AWEZNQCLSA-N 354.414 1.533 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@@H]1C[C@@H]2C=C[C@@H]1O2 100188357 BAPCDOLDFWIKOC-JZXOWHBKSA-N 361.405 1.794 0 40 FDAB Cn1ncc2c(N3CCN(C[C@H](O)c4ccccc4Cl)CC3)ncnc21 46054133 YACHYIBNCVOKHA-INIZCTEOSA-N 372.860 1.872 0 40 FDAB COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)O)Cn2ccnc23)cc1 105983092 LUQAMCAAEPFYDV-MRXNPFEDSA-N 357.410 1.866 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N(C[C@@H]1CCOC1)C1CC1 46937408 WOSJRLNHRLIVBQ-AWEZNQCLSA-N 363.458 1.659 0 40 FDAB O=c1cc(CSc2nnnn2-c2ccc(O)cc2)nc2sccn12 3410973 JLGWAIBJIFJPRK-UHFFFAOYSA-N 358.408 1.730 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)NC1CCCCC1 3517326 RCLCHNTWPQUCSA-UHFFFAOYSA-N 360.443 1.913 0 40 FDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC(=O)NC1CCCC1 3516631 SVXAJOUBQXUJKW-UHFFFAOYSA-N 350.419 1.400 0 40 FDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 12971605 HTLAMUNLSFWYGL-AUUYWEPGSA-N 372.377 1.689 0 40 FDAB CN(C)C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 12939143 RNBOGIPPJVBRAR-OAHLLOKOSA-N 358.442 1.270 0 40 FDAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@@H]1CCS(=O)(=O)C1 5021099 UZRMZKYMSGOIIB-LLVKDONJSA-N 353.425 1.132 0 40 FDAB COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C(N)=O)cc1 39978242 PCSLKRGWXHIPGP-UHFFFAOYSA-N 350.378 1.910 0 40 FDAB CCOCCCNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 409130735 UNKQUAVCDBXRBD-UHFFFAOYSA-N 358.460 1.394 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnc(-c3ccccc3C)n2C)CC1 5859435 GDARIJMWAYAELH-UHFFFAOYSA-N 373.482 1.573 0 40 FDAB CC(C)CC(=O)N[C@]1(C(F)(F)F)N=C(O)N(Cc2cccnc2)C1=O 9423917 VJPPTMBQDBFYGO-AWEZNQCLSA-N 358.320 1.759 0 40 FDAB CN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409190095 WGRIMSVIXGOXLG-WEVVVXLNSA-N 355.144 1.435 0 40 FDAB COc1ccccc1OCCNC(=O)N1CCN(c2ncccn2)CC1 17118804 MPJPZCQFNDQPFK-UHFFFAOYSA-N 357.414 1.396 0 40 FDAB Cc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N(C)C)CC2)cc1C 23289473 UZIFFHKBLSLMPP-KRWDZBQOSA-N 360.502 1.186 0 40 FDAB CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 95965184 AAFYQKNRMAKPRW-JSGCOSHPSA-N 365.865 1.480 0 40 FDAB C[C@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)CC(=O)O 95992064 GTBHHAJFQFXGPH-VIFPVBQESA-N 367.203 1.870 0 40 FDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 95991962 KQVLUNZFJCEZOS-MLGOLLRUSA-N 357.410 1.862 0 40 FDAB Cc1[nH]c(=O)c(C(=O)N(C)CCCS(C)(=O)=O)cc1-c1ccccc1 89914385 OJXOIXYVTGLZLT-UHFFFAOYSA-N 362.451 1.857 0 40 FDAB Cc1ccccc1SCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 75572217 SLDNRPLCISHCMF-HNNXBMFYSA-N 370.540 1.664 0 40 FDAB CC(C)[C@@H](O)CCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C 76022704 FRDBKYQFIOCBSS-HOCLYGCPSA-N 374.478 1.652 0 40 FDAB CS(=O)(=O)N1CCC(NC(=O)NC2CCC(C(F)(F)F)CC2)CC1 29733541 DVWNMYGPFSOKEO-UHFFFAOYSA-N 371.425 1.831 0 40 FDAB COC[C@@]1(C(=O)O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218196324 FGCLEQCOCZDXJJ-GVXVVHGQSA-N 363.229 1.677 0 40 FDAB Cn1c(CCNC(=O)CN2C(=O)CC3(CCCC3)C2=O)nc2ccccc21 79486374 JMBRGSDNDHAYHW-UHFFFAOYSA-N 368.437 1.551 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 217666503 JPMFUSCMAOYKKJ-NSHDSACASA-N 368.411 1.903 0 40 FDAB CC(=O)N1CCN(c2nc(Nc3ccc(C)cc3)c3n[nH]nc3n2)CC1 62022657 AIGLRZBTQUDIFE-UHFFFAOYSA-N 352.402 1.468 0 40 FDAB CNC(=O)c1nsc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1N 62006756 ABNSDJQJKWCWQJ-UHFFFAOYSA-N 363.418 1.186 0 40 FDAB CN1C(=O)Cc2cc(S(=O)(=O)NCCc3ncc4ccccn34)ccc21 36055884 FODSEPYHKSLWGN-UHFFFAOYSA-N 370.434 1.374 0 40 FDAB Cc1cc(C)n(CCC(=O)N2CCc3nc4ccccc4c(=O)n3CC2)n1 72347919 NJHHCKAMCPMIQP-UHFFFAOYSA-N 365.437 1.685 0 40 FDAB CC(=O)NCCCNC(=O)Nc1ccccc1I 43157796 GQVNGUQMZPLHNW-UHFFFAOYSA-N 361.183 1.939 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1 49543869 HJDMWPNISVHKIZ-UHFFFAOYSA-N 357.389 1.691 0 40 FDAB COCc1nn2c(=O)cc(COC(=O)c3cccc(OC)c3)nc2s1 41077309 DKCPTVVKHFHVNP-UHFFFAOYSA-N 361.379 1.663 0 40 FDAB COC(=O)c1cccc(NC(=S)NCCCN2CCOCC2)c1C 44663068 SJNLDRRSZVMKOX-UHFFFAOYSA-N 351.472 1.790 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 225576843 GXNJNAAWVGJLKQ-UHFFFAOYSA-N 373.434 1.885 0 40 FDAB COc1ccc(NC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)cn1 95480797 BMFCYTOZHCSYTJ-OAHLLOKOSA-N 368.393 1.786 0 40 FDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106783 OUPFFAGIYUKLCS-MRXNPFEDSA-N 354.472 1.962 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 245237722 SSJDKASTWLOSMA-XJKCOSOUSA-N 365.499 1.780 0 40 FDAB CN1CCN(C(=O)CCCc2ccccc2)C[C@](O)(CN2CCCC2=O)C1 257203843 ARXJOSRQOXZCEQ-OAQYLSRUSA-N 373.497 1.137 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1cc2c(s1)CCC2 257299120 ROVAYZXYZAUHNP-SFHVURJKSA-N 358.467 1.788 0 40 FDAB COCCNC(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O 253407367 WDPFYEBODQCEOU-JTQLQIEISA-N 350.371 1.788 0 40 FDAB biogenic,in-vitro CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)[C@]1(O)CCCOC1 620114613 QGZAHVIRZNIQHL-GPINWOSQSA-N 352.475 1.365 0 40 FDAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)C1 624245354 AJPUAZJFFXQCSS-UNEWFSDZSA-N 369.462 1.595 0 40 FDAB CO[C@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)[C@@](C)(C(=O)O)C1 630473920 NGHMUQLUHQVKNF-VQIMIIECSA-N 372.425 1.705 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)c2c(C)n[nH]c2n1 644024315 YWWQFOJNNMUTNP-GOSISDBHSA-N 359.430 1.020 0 40 FDAB COc1ccc(CN(C)C(=O)CN2CCCC[C@H](O)C2=O)cc1Cl 644499670 KPIHRSTYUVXKEV-AWEZNQCLSA-N 354.834 1.680 0 40 FDAB C[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)NC(=O)CC1(C)CC1 1285672532 JVTHGSONJATJJS-JLLWLGSASA-N 352.353 1.144 0 40 FDAB COc1cccc(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@H](C)C2=O)c1 91643952 JHYWGIKQPGPGQW-CQSZACIVSA-N 369.421 1.878 0 40 FDAB CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccnc(N(C)C)c3)C2)ccn1 1775959227 OOSQMRJBIASKFC-IBGZPJMESA-N 369.469 1.832 0 40 FDAB COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2C)n1 489040077 LEEXOWMPTNHVBV-NSHDSACASA-N 353.400 1.898 0 40 FDAB Cn1cc(N2C[C@@]3(CCCN(Cc4cnc(Cl)cn4)C3)C2=O)ccc1=O 585099722 ZZYOFYMIFOBJLU-SFHVURJKSA-N 373.844 1.458 0 40 FDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3nc(C)cc3C)[C@H]2O)cc1 952844920 TVMWXFNZAMICOF-IEWDOMPSSA-N 359.426 1.324 0 40 FDAB biogenic,in-vitro O=C(NC1CCCC1)c1cc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n[nH]1 72380512 QKMAPFYOOLGIEO-LBPRGKRZSA-N 356.430 1.825 0 40 FDAB CC(C)NC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 952844854 NYWABOKMUAUFKW-HSFUPAIVSA-N 372.425 1.283 0 40 FDAB biogenic,in-vitro Cc1c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2n1C 170625945 RZYFIODUTLBZJO-UHFFFAOYSA-N 365.393 1.117 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)C2CC2)CC1 35286685 SCLCOKFIUIXROW-ZDUSSCGKSA-N 350.463 1.088 0 40 FDAB COc1ccc(CCNC(=O)N2CCN(c3nccs3)C(=O)C2)cc1 1565523288 JTWAKIBYMPLLRS-UHFFFAOYSA-N 360.439 1.753 0 40 FDAB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1CC(F)(F)F 42663988 WTNXZJGTRNDOPI-ZDUSSCGKSA-N 352.378 1.974 0 40 FDAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(Cn4cncn4)C3)cc2)co1 888107000 IILHZBPQGAPXCG-UHFFFAOYSA-N 359.411 1.562 0 40 FDAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCN(C)C1=O)CCNCC2 1615085348 ZHQBDBRQBIAFNU-HOTGVXAUSA-N 353.507 1.546 0 40 FDAB CCc1ccc(CN(C)C(=O)c2cn(CCN3CCCCC3)nn2)nc1 11843923 XAVDLIFJEMEXJC-UHFFFAOYSA-N 356.474 1.994 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19578695 ZKMVVTYHDNTCNZ-AWEZNQCLSA-N 355.442 1.478 0 40 FDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cn(C)nc21 19701228 NYGUQOWUMJQGHS-AWEZNQCLSA-N 352.394 1.994 0 40 FDAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 19715519 LTSLFZGRWSLWIZ-UHFFFAOYSA-N 362.455 1.077 0 40 FDAB O=C(CCc1ccc(Cl)c(F)c1)N1CCC(N2C(=O)CNC2=O)CC1 244975209 IGONWUJCAIIATO-UHFFFAOYSA-N 367.808 1.955 0 40 FDAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)C(C)(C)C)C[C@H](C)O1 35590427 LBMMVRNGBIYXTE-STQMWFEESA-N 360.462 1.602 0 40 FDAB CC(=O)N1CCO[C@](C)(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 1848355523 NVLBEPBEYGLQCH-SFHVURJKSA-N 369.462 1.093 0 40 FDAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCO1)N1CCOCC1 1888849789 LDIKXMCNHMYDSB-LBPRGKRZSA-N 363.311 1.304 0 40 FDAB Cc1ccccc1CC(=O)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@H]2C1 1888853209 SMFNHWNTXMSNBO-GJZGRUSLSA-N 354.410 1.334 0 40 FDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889205657 IGBMBRPWQJQNGB-UHFFFAOYSA-N 365.445 1.378 0 40 FDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCN1C(=O)NC(C)(C)C1=O 24870016 WROPPXGCPMAGRY-TXEJJXNPSA-N 353.419 1.040 0 40 FDAB O=C(CCn1ccccc1=O)N1CCC(O)(COc2ccccc2)CC1 2037909316 RICNIOXRQYPDCT-UHFFFAOYSA-N 356.422 1.671 0 40 FDAB Cn1ccc(CC(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 1614946698 ADPSVVBILXKDTB-FQEVSTJZSA-N 367.453 1.399 0 40 FDAB O=C([C@H]1CCOC1)N1CCC2(CC1)OCCn1c(CN3CCCC3)cnc12 1565555754 GUOWSHWXXVXOMP-INIZCTEOSA-N 374.485 1.363 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@]2(CCCN(Cc3ccccn3)C2)C1 1565547440 IXEJIMILQSFZMR-XFKSJGNHSA-N 357.454 1.167 0 40 FDAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522957 WBDITLFVMQWGLP-MRXNPFEDSA-N 368.499 1.797 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1Cl 1565523056 YCICWQZHFGDVLL-ZDUSSCGKSA-N 374.890 1.834 0 40 FDAB COc1cnccc1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565552114 KSQRKPWBCBSLHX-ROUUACIJSA-N 368.437 1.601 0 40 FDAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)N1CCCC1 12231032 NSGBHBLBVQGAMM-UHFFFAOYSA-N 360.385 1.681 0 40 FDAB CS(=O)(=O)N1CC[C@@H]2CN(C(=O)c3cnc(Cl)cc3Cl)C[C@@H]21 2055771568 JADTUEGROSLKLK-KCJUWKMLSA-N 364.254 1.494 0 40 FDAB COc1cc(C(=O)N2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)on1 2055751355 NGPFANJMMGTDST-LJQANCHMSA-N 372.425 1.858 0 40 FDAB Cc1nc2ncnn2c(N2CC(n3nc(-c4ccncc4)ccc3=O)C2)c1C 1775974617 XUDKJESLHQLGED-UHFFFAOYSA-N 374.408 1.421 0 40 FDAB O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965648 IAAQOCCCRXOCMY-OAHLLOKOSA-N 356.357 1.185 0 40 FDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccncc2)N2CCOCC2)cc1 23106972 OODNFIBHGPJPRW-SFHVURJKSA-N 368.437 1.518 0 40 FDAB CC(C)[C@]12O[C@@]1(C)[C@@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O 604220159 GHJILCJKNAHWOV-YGGRCSGYSA-N 374.433 1.493 0 40 FDAB in-vitro CC(C)Cn1nc(N2CCN(Cc3n[nH]c4c3CCC4)CC2)ccc1=O 2298041240 OEUNBWIZUGETFN-UHFFFAOYSA-N 356.474 1.433 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H]3CCCNC3)C2)C1 12123002 OYMZQVUMGOIAEN-DYESRHJHSA-N 371.481 1.788 0 40 FDAB O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12368006 ALXRUJOUFGNSHT-WAYWQWQTSA-N 353.381 1.523 0 40 FDAB in-man COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2sccc2C)cc1 70635839 QCPYEGCMXIOPGY-ZDUSSCGKSA-N 362.407 1.631 0 40 FDAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5273906 IMMPMHKLUUZKAZ-FUHWJXTLSA-N 351.406 1.850 0 40 FDAB endogenous,in-man COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccn(C)n2)C(C)C)c1 50821167 IVMKTBJJSWQNEN-INIZCTEOSA-N 360.414 1.830 0 40 FDAB CCCCOC(=O)c1ccc(NC(=O)CSc2cn[nH]c(=O)n2)cc1 31773577 MRHBRONCQYNBHU-UHFFFAOYSA-N 362.411 1.853 0 40 FDAB C[C@@]1(c2ccc(NS(=O)(=O)c3cccs3)cc2)NC(=O)NC1=O 32818922 KUHORUHXFBRCQY-AWEZNQCLSA-N 351.409 1.604 0 40 FDAB O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 41417771 JBKNRYSEQIWHDU-NSHDSACASA-N 357.288 1.683 0 40 FDAB O=C1COc2ccc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)cc2N1 22367710 UXCUKILLOPKLCM-UHFFFAOYSA-N 354.149 1.764 0 40 FDAB C[C@@]1(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CCS(=O)(=O)C1 22552814 LOMFSYMKZSQNHD-OAHLLOKOSA-N 359.831 1.347 0 40 FDAB CCOC(=O)C1=C(CN2CCN(Cc3cccc(C)c3)CC2)NC(=O)NC1 22916504 ZWNLFBNLZWQOSZ-UHFFFAOYSA-N 372.469 1.243 0 40 FDAB CC1(C)[C@@H](C(=O)N2CCN(C[C@@H]3Cc4ccccc4O3)CC2)[C@H]1C(=O)O 71279481 DIGCUCQGFAZLBE-UAGQMJEPSA-N 358.438 1.491 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nncn2C)c1 3184980 WKRAOGDVRHDUJG-UHFFFAOYSA-N 364.383 1.119 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 920869 YDFOUDPAPDOTQZ-UHFFFAOYSA-N 360.501 1.892 0 40 FDAB NC(=O)c1cc(CNC(=O)C2(c3ccc(Br)cc3)CC2)on1 79096810 CCAPDCUTNLMETE-UHFFFAOYSA-N 364.199 1.884 0 40 FDAB O=C(CSc1nncn1-c1ccccc1)NCCCN1CCCC1=O 12539698 NUXMTRHTXSYSIL-UHFFFAOYSA-N 359.455 1.488 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=O)N[C@]1(O)C(F)(F)F 4264451 MTFGXXOIFDMLDH-GIPNMCIBSA-N 350.268 1.610 0 40 FDAB COC(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 4463178 GNLYMHPRTGMJJW-UHFFFAOYSA-N 370.361 1.656 0 40 FDAB CCOc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 6962876 BMPBBXCVIKNNKW-UHFFFAOYSA-N 372.487 1.783 0 40 FDAB c1ccc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1 1422512 VGRYDUHYOCIQQA-UHFFFAOYSA-N 360.443 1.091 0 40 FDAB COc1ccc(CN2CCn3c(CO)nnc3C2)cc1CN1CCCC1 57822775 HEPGQNBAWLESSM-UHFFFAOYSA-N 357.458 1.391 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 26538287 DBLNXSYAJZIETJ-UHFFFAOYSA-N 359.415 1.816 0 40 FDAB Cc1ccc(CN(CCO)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 96009089 BJJIODZEBHBRFU-KRWDZBQOSA-N 356.422 1.958 0 40 FDAB CN(CCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 53207076 LFLFLOOECFVZSO-CALCHBBNSA-N 355.438 1.580 0 40 FDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 58161988 MUJVAPOADUSCLS-CYBMUJFWSA-N 357.458 1.688 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 12790303 HRFUIJCJENJEBM-ZWNOBZJWSA-N 364.423 1.082 0 40 FDAB O=C1CC2(CCN(C(=O)c3ccnnc3)CC2)CN1Cc1ccncc1 108526147 KRKMMXFFZGVYBP-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB COCCN(C)CCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 58370305 BYALFMYHJDDNBM-UHFFFAOYSA-N 363.502 1.798 0 40 FDAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 36396939 APLDTKGHOOLFOB-UHFFFAOYSA-N 361.423 1.237 0 40 FDAB O=C1C[C@H](c2ccccc2)N2N=C(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)NC2=N1 13768622 AWJLXRXORKHPHU-MELADBBJSA-N 365.393 1.365 0 40 FDAB Cc1ccn2c(C(=O)Nc3cnn(CCN4CCOCC4)c3)cnc2c1 95447159 ULQKQFPVDDNQSI-UHFFFAOYSA-N 354.414 1.424 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(Cl)c1 9494519 KJBSCLXUIVRXGM-OAHLLOKOSA-N 350.827 1.941 0 40 FDAB O=C(NCc1ccco1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339679 VWNLHYJPWSHJCY-UHFFFAOYSA-N 363.395 1.074 0 40 FDAB CC1=NN(C(=O)c2nn(C)c(C)c2Br)[C@@](O)(C(F)(F)F)C1 7077901 RPYVVRXQOKOGRW-JTQLQIEISA-N 369.141 1.964 0 40 FDAB O=C(Nc1ccc(Cl)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9549573 DWUSFDPKRHKZGR-GFCCVEGCSA-N 369.830 1.444 0 40 FDAB Cc1cc(=O)n2nc(COC(=O)CNC(=O)C3CCCCC3)sc2n1 7255114 POKBQJMVVNSJDX-UHFFFAOYSA-N 364.427 1.199 0 40 FDAB O=C1COc2cc(C(=O)OCc3cc(=O)n4ccccc4n3)ccc2N1 18962750 ATLNMBSIUUARSI-UHFFFAOYSA-N 351.318 1.382 0 40 FDAB COc1ccc(CN(C(=O)Cn2nnc3ccccc3c2=O)C2CC2)cc1 8883350 WMFXCLSLYFRKNM-UHFFFAOYSA-N 364.405 1.991 0 40 FDAB O=C(CCOC[C@@H]1CCCO1)NCc1ccc(CN2CCOCC2)cc1 97326973 LEDDRLQUUYSXMF-IBGZPJMESA-N 362.470 1.721 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Cn2cccn2)CC1 62017798 ZOPVLPXIZGVOTF-UHFFFAOYSA-N 352.394 1.418 0 40 FDAB CN(C(=O)CN1CCC2(CC1)NC(c1ccccn1)=NO2)c1ccccc1 67317296 DUOAIXSCOGEURU-UHFFFAOYSA-N 365.437 1.818 0 40 FDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cnn(C)c1)C2 306131799 KPVXAOZSDVMBBX-INIZCTEOSA-N 369.469 1.568 0 40 FDAB COCc1nnc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)s1 72405006 OMROFPSHNCRBOY-UHFFFAOYSA-N 351.413 1.623 0 40 FDAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)N1 1542938892 SGJKZIBYIIBLEK-INIZCTEOSA-N 370.434 1.333 0 40 FDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)N1CCCC1 1547200928 BQWJFNMQJQBXFK-UHFFFAOYSA-N 361.789 1.309 0 40 FDAB CC(C)n1ncc2cc(C(=O)N3CCN(c4cnn(C)c4)CC3)cnc21 74396128 KXRUDNKZKFRUKE-UHFFFAOYSA-N 353.430 1.708 0 40 FDAB CN1CC[C@@H](c2nn(CCNC(=O)c3ccccc3)c3nccnc23)C1 72391611 ICNRMYBTNGBCCT-OAHLLOKOSA-N 350.426 1.675 0 40 FDAB CC(C)(C)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1 39987622 BXOKMEVRJKUKNI-UHFFFAOYSA-N 359.514 1.961 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(F)cc(Cl)c1 566831836 WEGHZGGLRFAQPX-QPUJVOFHSA-N 351.783 1.637 0 40 FDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(-n2cccc2)cc1 70640980 VSUZTIBTOYREPY-UHFFFAOYSA-N 374.404 1.650 0 40 FDAB Nc1ccc(-c2ccc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@H]43)cc2)cc1 40167332 BUHCZGHZQKAPGB-JKSUJKDBSA-N 359.476 1.796 0 40 FDAB CCOc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1 224273826 JXYRLUHNYRPYRO-UHFFFAOYSA-N 364.427 1.513 0 40 FDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCSc2ccc(Cl)cc21 40013537 OGXKMXNJMYIWIU-MNOVXSKESA-N 353.831 1.981 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccs2)ccc1OC 223877736 AKACNUMACYECIO-UHFFFAOYSA-N 354.453 1.937 0 40 FDAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1N1CC[C@@H](CO)[C@H](O)C1 579190936 RHOFGAWJOWWQTI-IINYFYTJSA-N 366.364 1.869 0 40 FDAB O=C(NC[C@H]1COCc2c(-c3cccnc3)nnn2C1)c1cccs1 96199402 OJWJDOQJXZTFPW-GFCCVEGCSA-N 355.423 1.978 0 40 FDAB Cn1c(=O)n(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c2ccccc21 581535724 QNQAVZATJXWXHM-CRAIPNDOSA-N 351.406 1.675 0 40 FDAB COc1ccc(CN2CCc3nnc(COCCN(C)C)n3CC2)cc1 96058869 MZDHZQZEIUOGQY-UHFFFAOYSA-N 359.474 1.423 0 40 FDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCCN3c3ncccn3)ccnc12 257202184 AKUJEUKNXOQDAL-AWEZNQCLSA-N 351.414 1.953 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)cc1 253470893 AEEKKGAEVXQEIO-LBPRGKRZSA-N 350.400 1.355 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 257312572 UOOYTPIKCPFTKW-KRWDZBQOSA-N 355.442 1.602 0 40 FDAB CCn1cc(-c2nccnc2C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1 257279472 OGVGLALMHYJKHN-CYBMUJFWSA-N 364.475 1.031 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCOc2cccc(C)c2C)C1 260945479 VJGOBBSIIXRQNX-INIZCTEOSA-N 368.499 1.860 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124265 AWZQTARXRCLFJC-ZZXKWVIFSA-N 351.370 1.012 0 40 FDAB C[C@@H]1CCN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)C[C@@H]1CO 621370039 ANWFMPNNWUQEGN-ZIAGYGMSSA-N 353.426 1.971 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cc(OC)cc(Cl)c2F)C1 644031642 FJJNYNFBRKYBPS-MRXNPFEDSA-N 358.797 1.591 0 40 FDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CCn2cncc2C1 644484395 ARAYGUZZGRJNEQ-FQEVSTJZSA-N 354.454 1.643 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](NCCNC(c2ccccc2)c2ccccc2)C1 575420420 HSHNKSCGNSDQAO-ZWKOTPCHSA-N 360.479 1.113 0 40 FDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccccc2)C1 585291434 OWSOXOIUBWAXDO-CTNGQTDRSA-N 354.450 1.343 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccccn2)CCO1 585282222 BWMDTMSTUSBLDO-IBGZPJMESA-N 373.384 1.386 0 40 FDAB CNc1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3C)C2)ccn1 585278413 SNURJIIABLBTQX-HXUWFJFHSA-N 355.438 1.878 0 40 FDAB Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1O 585290496 DWIHOKGLUJQDIS-ZYIDEWGLSA-N 358.482 1.635 0 40 FDAB Cc1ccccc1N1CCC(O)(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)CC1 585282225 BWXMXPGGQLGHTC-GBESFXJTSA-N 359.514 1.466 0 40 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FDAB CCOc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1 5396324 OQZVILUKOZEHAY-MRXNPFEDSA-N 357.410 1.604 0 40 FDAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1 9827438 IGYMZPHNYQMVAS-UHFFFAOYSA-N 362.455 1.631 0 40 FDAB Cc1cc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)no1 2055772973 DXKZXMCKRRMXEO-UHFFFAOYSA-N 357.414 1.337 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)[C@]1(C)CC=CCC1)C2 2055812515 JFIRWBSONGSGNR-WOJBJXKFSA-N 371.485 1.416 0 40 FDAB Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCOCC1 21152449 ZYCMOOHUKLCGKQ-INIZCTEOSA-N 357.410 1.557 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CC(Oc2nccs2)C1 208030588 KFPPVXYPNOVKLL-UHFFFAOYSA-N 352.437 1.597 0 40 FDAB NC(=O)CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 23139797 OZLUXKVZQQWTQD-UHFFFAOYSA-N 353.448 1.581 0 40 FDAB O=C1CN(c2ccc([N+](=O)[O-])cc2)C(=O)CN1c1ccc([N+](=O)[O-])cc1 95117287 BDUANHABLCGRKU-UHFFFAOYSA-N 356.294 1.883 0 40 FDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1F 29834836 DRVGQWGUWMAVDS-UHFFFAOYSA-N 352.299 1.759 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C1 40086243 HJEIPEYTPIBFLN-KRWDZBQOSA-N 366.531 1.375 0 40 FDAB CCN(CC)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 40050955 SSBBXBWOELGVTQ-KRWDZBQOSA-N 367.453 1.695 0 40 FDAB COc1cccc([C@H](O)[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1OC 40267358 ROWAKELLCPMBIU-AZUAARDMSA-N 370.405 1.745 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100552484 QBJVVPUOAUUXKD-LUVWLHFXSA-N 369.373 1.228 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2ccc(C(F)(F)F)nc21 31451148 VDFKHVHEUDCCQE-UHFFFAOYSA-N 370.331 1.127 0 40 FDAB COc1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 20375519 LDFDMUCVFYFKOM-UHFFFAOYSA-N 356.426 1.860 0 40 FDAB CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C)cc1Cl 51162455 XESNIDCNZUXIRD-UHFFFAOYSA-N 354.881 1.256 0 40 FDAB COCCCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 20714800 GCOPYHLUOYLQIN-UHFFFAOYSA-N 360.462 1.617 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 32377265 TYSSUDXWNBIUAD-UHFFFAOYSA-N 355.398 1.270 0 40 FDAB 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Cc1nnc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)s1 101340448 WUAXYCQUAVWMLP-DSPMHBFJSA-N 371.415 1.182 0 40 FDAB NCCn1nc([C@H]2CCN(C(=O)CCc3ccccc3)C2)c2nccnc21 19370634 OMOVPTBNCLPWGN-INIZCTEOSA-N 364.453 1.734 0 40 FDAB COc1cc2nc(CN3CCN(C(=O)C(C)C)CC3)[nH]c(=O)c2cc1OC 40161554 WFZFYPKLWBKREW-UHFFFAOYSA-N 374.441 1.241 0 40 FDAB NS(=O)(=O)c1ccc(OCCn2cnc3ccsc3c2=O)cc1 31788804 YCHFLIIWKFREEE-UHFFFAOYSA-N 351.409 1.184 0 40 FDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccccc2)c2ccccc21 101461977 ZSJQXSWSADFGKJ-KRWDZBQOSA-N 351.406 1.569 0 40 FDAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNS(C)(=O)=O 32626074 LXQPRHWYOGHJPF-MRVPVSSYSA-N 355.243 1.426 0 40 FDAB CCN(C(=O)CN1CCN(CC(=O)NCC(C)C)CC1)c1ccccc1C 22065400 YAFUTKNNBCTNQC-UHFFFAOYSA-N 374.529 1.738 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)N2CCc3sccc3C2)c2ccccc2O1 22096856 QCVGXNJQQKOTPF-INIZCTEOSA-N 371.462 1.646 0 40 FDAB Cc1ccc(N2CC[C@H](C(=O)N3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 53502994 LDTDZVFKFGDZDP-GOSISDBHSA-N 369.465 1.865 0 40 FDAB CN1CCN(CCCN2C(=O)CS[C@H]2c2ccc3c(c2)OCO3)CC1 22576999 TWMGUAFWPIWXTQ-SFHVURJKSA-N 363.483 1.627 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1C[C@H]2CC[C@H]1C2 104090030 PBAZQOAIYVZRJJ-UHXUPSOCSA-N 356.426 1.187 0 40 FDAB O=S1(=O)CC[C@@H](N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 23290028 XDLMSZOMKJKJRB-OAHLLOKOSA-N 362.455 1.041 0 40 FDAB CCS(=O)(=O)C[C@@H](C)NC(=O)COc1ccc(Br)cc1 78682035 DKPQVCXYQIRFSF-SNVBAGLBSA-N 364.261 1.767 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F 1317688 OLIIMONMVGDYDK-NRUUGDAUSA-N 364.345 1.341 0 40 FDAB Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1 3438533 WJQUBZHLPIVLQJ-UHFFFAOYSA-N 350.444 1.697 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc(Cl)c1 4510568 BLVZFXOGVHMCNZ-UHFFFAOYSA-N 366.826 1.991 0 40 FDAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6561730 HFLFLGDAYANIDM-GFCCVEGCSA-N 365.386 1.023 0 40 FDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1 6680279 OYFKDULWJNJFSC-UHFFFAOYSA-N 354.409 1.949 0 40 FDAB CC(C)[C@H](C(=O)Nc1nc(CC(N)=O)cs1)N1C[C@@H](C)O[C@H](C)C1 106575755 NWCVBPYBVOYILS-JTNHKYCSSA-N 354.476 1.243 0 40 FDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccnc(N2CCCCCC2)c1 107180059 LYDBXXZKFYOQID-INIZCTEOSA-N 365.499 1.903 0 40 FDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(-n2ccc(C(=O)O)n2)cc1 95463925 HHNVYCBEOJORLW-UHFFFAOYSA-N 369.381 1.938 0 40 FDAB CN1CCN(c2ncc3c(=O)n(CCN4CCCCC4)ccc3n2)CC1 9290424 QVSIUURIACLKAW-UHFFFAOYSA-N 356.474 1.029 0 40 FDAB O=C(CN1CCC(C(=O)NCCO)CC1)Nc1cc(Cl)ccc1Cl 48302736 NIJZROIKQNHBKD-UHFFFAOYSA-N 374.268 1.752 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(OC(F)F)cc3)cnc21 11479711 GWWALGIMXZMBEO-UHFFFAOYSA-N 363.324 1.760 0 40 FDAB CCCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)n[nH]c1=O 13074456 UCPKEEHGOAAENQ-MNOVXSKESA-N 355.464 1.478 0 40 FDAB O=C(O[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 62580454 VRCDNZOEYAEMQL-ZWNOBZJWSA-N 357.815 1.423 0 40 FDAB O=C1[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CN1c1ccccc1 95469423 WTLQHCCFMVOMNR-CYBMUJFWSA-N 351.815 1.570 0 40 FDAB CNC(=O)[C@H]1CN(CC(=O)NCCc2ccccc2)c2ccccc2O1 39992499 PAMMCNRXPUDKPN-GOSISDBHSA-N 353.422 1.359 0 40 FDAB CCOC(=O)N1CCC(NC(=O)CCC(=O)NCc2ccc(C)o2)CC1 4699689 OPKYXSKBAOWQOF-UHFFFAOYSA-N 365.430 1.722 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CCCC[C@H]1CO 95452979 VDWJXMMIMCLFGS-JSGCOSHPSA-N 374.890 1.676 0 40 FDAB C[C@H](CNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 7581394 OMZDRWKWABNBLR-CQSZACIVSA-N 370.405 1.627 0 40 FDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1N1CCOCC1)CS2 15940783 GUEIKJJLAYENJI-CRAIPNDOSA-N 361.467 1.916 0 40 FDAB CN1C[C@]2(CCN(C(=O)c3ccco3)C2)Oc2ccccc2S1(=O)=O 306126748 FECFPNOEPQRVLC-KRWDZBQOSA-N 362.407 1.577 0 40 FDAB COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1OCC(N)=O 8114694 DZABZIQDXKRGGQ-UHFFFAOYSA-N 358.394 1.806 0 40 FDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc1 8428526 JNLCCEPFVYYUDK-CQSZACIVSA-N 354.472 1.981 0 40 FDAB CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 8480999 VXXVKBAIEQIJHK-BBRMVZONSA-N 367.490 1.010 0 40 FDAB biogenic CCOCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560391 IDWBHWJUIBLACF-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 9734296 MAFUJCXWYUIZEQ-UHFFFAOYSA-N 352.394 1.681 0 40 FDAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cn(-c2ccccc2)nn1 84576699 DWKGBNDPEWOFIN-CQSZACIVSA-N 362.393 1.307 0 40 FDAB C[C@@H](O)CN1CCC(CN(C)C(=O)NCc2ccc3c(c2)OCO3)CC1 95396217 IPKGAQIMPDJIRS-CQSZACIVSA-N 363.458 1.650 0 40 FDAB C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1)c1ccccc1 409003779 UUJABGWGSGIRSJ-XJKSGUPXSA-N 355.394 1.896 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)CC 408697891 MHWFQBBXAOTBIR-UHFFFAOYSA-N 355.460 1.370 0 40 FDAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)OCC(=O)c1ccc(F)cc1 408998354 BBNJRCDSYLZPAY-ZDUSSCGKSA-N 368.361 1.178 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccnc(N(C)C)n2)C1 548674102 WIGBWPIHBSQATM-QGZVFWFLSA-N 360.487 1.545 0 40 FDAB O=C(COC(=O)c1ccco1)NCc1ccc(C(=O)N2CCCC2)cc1 22496956 QZOMRVGHLVWVIZ-UHFFFAOYSA-N 356.378 1.989 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)N1 24464702 RAHVWCGJEIATIG-UHFFFAOYSA-N 366.421 1.861 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@H]1CCCO1 408558055 IFMSWMWBELJCDZ-CZUORRHYSA-N 362.451 1.802 0 40 FDAB CCOC(=O)c1c(SC)nn(S(=O)(=O)c2ccc(C)cc2)c1N 3851879 IHRLDYJBBBBZTC-UHFFFAOYSA-N 355.441 1.909 0 40 FDAB biogenic Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccncc3)C2)cn1 306131394 KDFSMQRELDTOEG-QGZVFWFLSA-N 365.441 1.389 0 40 FDAB OCCNc1nc(N2CCN(c3ccccc3)CC2)nc2nccnc12 32105546 ZXJMVIAADKTQEJ-UHFFFAOYSA-N 351.414 1.151 0 40 FDAB COCCNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327603 ULQBLMHTGQLKTB-JLTOFOAXSA-N 374.437 1.554 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@@H]1CCCN2CCCC[C@H]12 79189391 BRLJDALPBMTWCG-FUHWJXTLSA-N 358.486 1.503 0 40 FDAB biogenic COc1cc2nc(C)n(CC(=O)NCc3ccncc3)c(=O)c2cc1OC 72326307 UNSBSMOKXYMIPF-UHFFFAOYSA-N 368.393 1.434 0 40 FDAB biogenic CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 223885685 FLRYEHJHEBPJPR-UHFFFAOYSA-N 366.439 1.798 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1cccc(OC)c1 41157892 GUJVMONLGYYCTD-OAHLLOKOSA-N 350.415 1.519 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CCc2nc3ccccn3c(=O)c2C1 225776714 KSKGCEZUSJYUGX-UHFFFAOYSA-N 372.388 1.474 0 40 FDAB O=C(COc1ccccc1)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 85436064 XKCXEKXMAWHTSN-QGZVFWFLSA-N 366.421 1.609 0 40 FDAB biogenic,in-vitro O=C(O)[C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CCO1 576204409 FOKROFJGPRLHNG-LLVKDONJSA-N 354.409 1.284 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 225729567 AKTBBVZYEFJPSO-UHFFFAOYSA-N 363.483 1.312 0 40 FDAB Cc1noc(C)c1CN1C[C@H]2[C@H](CC(=O)N3CCOCC3)COC[C@H]2C1 96057231 DFFHWMCZEKWRSM-NUJGCVRESA-N 363.458 1.235 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96238036 CBHNTVSVFJCDAW-IBGZPJMESA-N 360.433 1.764 0 40 FDAB Cn1cc(CN2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)cn1 96060730 NPNXEXAARCMSFX-INIZCTEOSA-N 353.430 1.260 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96226005 SPVDIBDBQINPRX-SFHVURJKSA-N 351.366 1.476 0 40 FDAB Cc1nccn1CCNC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 239611955 FGBJSPHPIGKLLA-CYBMUJFWSA-N 350.806 1.838 0 40 FDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96226125 KNPFPCXMGWBSKN-IBGZPJMESA-N 367.409 1.728 0 40 FDAB CC(=O)N1CCS(=O)(=O)[C@@H]2CCN(Cc3cccc(C)c3)CC[C@@H]21 96251603 BERMXGDVMJDDPC-ZWKOTPCHSA-N 350.484 1.605 0 40 FDAB CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccn(C)n1)C2 248165736 ZRHMEXQUWCKOME-HNNXBMFYSA-N 355.442 1.431 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](CCOCC(=O)N(C)C)CCO3)C2)no1 248058089 YNODNVWBLXVWSJ-HNNXBMFYSA-N 351.447 1.459 0 40 FDAB CN(C)c1ncc(CN2CCC3(CC(N(C)c4ccncn4)C3)C2)cn1 257305006 SOAYZUPPXNHRAF-UHFFFAOYSA-N 353.474 1.824 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257274552 NLNTWZHBLHRMBI-KRWDZBQOSA-N 357.458 1.722 0 40 FDAB CC(C)[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1 26302250 AXNONMDLHPSRLR-LJQANCHMSA-N 360.502 1.875 0 40 FDAB CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 26319286 IUAHACSNPYIHMQ-UHFFFAOYSA-N 362.454 1.731 0 40 FDAB CC(=O)O[C@@H]1[C@H](OCc2ccccc2)CN2C(=O)OC[C@@H]2[C@H]1OC(C)=O 255189970 UCYUUZHBCDFVLU-QBPKDAKJSA-N 363.366 1.270 0 40 FDAB Cc1nccc(C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)n1 257299162 ROYYFZZWFGOITC-ROUUACIJSA-N 366.421 1.080 0 40 FDAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cn(C)c(=O)cc1C 267513641 LCELNPOSMMDVBL-UHFFFAOYSA-N 366.395 1.130 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccccc2Cn2cccn2)C1 644044395 ZQLNUDJIRJIHFM-LJQANCHMSA-N 356.426 1.035 0 40 FDAB CCc1nc(CN2CCC[C@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)no1 660644547 KZYSNNQDZMMJHK-KGLIPLIRSA-N 365.478 1.711 0 40 FDAB Cn1ncc(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)c1C(F)F 677630086 XMMKJJWKAJMQLU-UHFFFAOYSA-N 373.385 1.468 0 40 FDAB O=C1CCC[C@H](CNC(=O)c2cn(-c3cccc(Cl)c3F)nn2)N1 683973767 AKUFKCKZWNMMQJ-SECBINFHSA-N 351.769 1.458 0 40 FDAB COCCn1cc2c(n1)[C@H](NC(=O)N1CC[C@H](O)C(F)(F)C1)CCC2 606444943 RRVAQFRMLDVELB-OLZOCXBDSA-N 358.389 1.318 0 40 FDAB Cc1noc(C2(C)CCN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)CC2)n1 613378377 XCYJFCKVFAIHCW-SNVBAGLBSA-N 370.417 1.241 0 40 FDAB CN(CC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585290791 FYPCWHBYFQGVLE-QRVBRYPASA-N 352.450 1.090 0 40 FDAB CC(=O)c1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2cccnc2)n[nH]1 585108809 NIJWSPYKYGHZIJ-BZSNNMDCSA-N 370.409 1.596 0 40 FDAB C[C@]1(C(F)F)CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CCO1 685938954 QTYIMAWZQFQGKW-MRXNPFEDSA-N 351.357 1.833 0 40 FDAB C[S@](=O)(=S)OCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 1569985958 HEMRLNYUNOVYAV-XMMPIXPASA-N 363.460 1.955 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCN1CCCC1=O 12156195 GQTVVUWYMSKYCN-HIFRSBDPSA-N 353.426 1.638 0 40 FDAB CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17334145 HUMMIIFETFIOMV-UHFFFAOYSA-N 374.462 1.980 0 40 FDAB O=C(Cn1cncn1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344343 ZPKLVCCITVAXRE-LBPRGKRZSA-N 370.438 1.496 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19460681 GPQUNEGWTVMHMT-NRTGNBEESA-N 354.362 1.661 0 40 FDAB Cc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 5255849 RGDVNEVTKZTRDY-UHFFFAOYSA-N 356.430 1.597 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858556 WJVOKBSPKOVGFR-UHFFFAOYSA-N 373.390 1.104 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOc1ccccc1F 12392404 MTNJTPLHGCXICU-UHFFFAOYSA-N 366.414 1.980 0 40 FDAB CCOC(=O)C1=CN(CC(=O)Nc2ccccc2)S(=O)(=O)N=C1C 1888918167 PMHBWENIRABRJG-UHFFFAOYSA-N 351.384 1.093 0 40 FDAB Cc1nc(N2CCN(c3ncnc4c3ncn4C)CC2)c2ccncc2n1 1888919449 WYDVUWNHODPWJC-UHFFFAOYSA-N 361.413 1.337 0 40 FDAB CN(C)c1ccnc(N2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1 1889149370 XVEANDGGADBLAE-UHFFFAOYSA-N 364.457 1.789 0 40 FDAB C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)CCC2 16446935 XDKCJPRXOVTYOO-STQMWFEESA-N 363.435 1.994 0 40 FDAB Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CC2 238882357 PMJMDHFCHUMSPM-CQSZACIVSA-N 368.437 1.361 0 40 FDAB CCOC(=O)N1CCC(N2CCO[C@@]3(CCCCN(C)C3=O)C2)CC1 2037985814 XCWCLHXMZORFPO-SFHVURJKSA-N 353.463 1.321 0 40 FDAB COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c(OC)c1 408723784 MLKWRHHKGZPCFL-UHFFFAOYSA-N 365.407 1.979 0 40 FDAB Cc1cc(C)nc(N2CCO[C@]3(CO[C@H](C(=O)NC4CCCCC4)C3)C2)n1 2056226630 WOQWHVWNIGFRIE-PXNSSMCTSA-N 374.485 1.907 0 40 FDAB COCCN1C[C@@H]2CN(C(=O)c3cnc(Cl)cc3Cl)C[C@@H]2C1=O 1565555083 QSLGCJNQIBTKSO-KOLCDFICSA-N 358.225 1.565 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CC1(OC)CCC1)OC2 1565548447 CAYKHGJIZVOTHD-GFCCVEGCSA-N 364.446 1.066 0 40 FDAB CCCCc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(C)=O)cc1 4107515 SQYZDEYXOKCHDX-INIZCTEOSA-N 354.472 1.907 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1 206984189 ICURFZJUDYGHKC-UHFFFAOYSA-N 372.443 1.983 0 40 FDAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1F 211097171 MYMGOPJUVPHCLG-UHFFFAOYSA-N 370.381 1.070 0 40 FDAB COC(=O)c1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)cc1 40161415 QCXGZDXCDIDXBN-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB COc1ccc(NC(=O)C(=O)NCc2nc(Cc3ccccc3)no2)cn1 40285296 PNQKNNHPHNMZSN-UHFFFAOYSA-N 367.365 1.319 0 40 FDAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCC(OC)OC)c1C 51317611 LQWQJXNIXAYHOH-UHFFFAOYSA-N 354.794 1.586 0 40 FDAB Cn1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@H]32)c2ccccc21 101999126 GDCBDHYZDGAKAU-SRVKXCTJSA-N 371.443 1.807 0 40 FDAB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 32797112 FQJXPWRKAYTWFC-LZWOXQAQSA-N 368.499 1.756 0 40 FDAB COc1ccccc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 32895313 XVZOWWOIZZEYLZ-GJZGRUSLSA-N 369.487 1.171 0 40 FDAB COc1ccc(OC)c2c1CN(Cn1nnc3ccccc3c1=O)C[C@H]2O 32923151 ZGJQDVRQPKMUNM-OAHLLOKOSA-N 368.393 1.315 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 831432 VDBNPSMWGYDJIC-CYBMUJFWSA-N 350.371 1.903 0 40 FDAB COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC(F)F 47793508 YGTCQTFRUXXFFI-UHFFFAOYSA-N 364.370 1.014 0 40 FDAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1324795 MCSIIFVISAGUFS-OAHLLOKOSA-N 364.423 1.667 0 40 FDAB CCCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 79025497 ZPUNWSLYRWKHRV-CYBMUJFWSA-N 352.822 1.961 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCC(=O)O)n2Cc1ccccc1 4225908 LXAFRZHOVLDHAS-UHFFFAOYSA-N 360.395 1.038 0 40 FDAB CCCN1C(=O)[C@]2(Cc3c(F)cccc3N3CCC[C@@H]32)C(=O)NC1=S 6910359 WMWIRVSEZOAZMS-KDOFPFPSSA-N 361.442 1.990 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8299816 MZSZWOLHHUITHN-OIISXLGYSA-N 373.501 1.419 0 40 FDAB biogenic,in-vitro Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)n1 108529559 YBXYPXQKRWCECF-AWEZNQCLSA-N 356.430 1.476 0 40 FDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 58265114 IPKWCKNZZORKTF-NXHRZFHOSA-N 371.481 1.499 0 40 FDAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 59789335 HAFVWTUQBYRPOB-HCMGWXKDSA-N 364.482 1.573 0 40 FDAB endogenous,in-man Cc1ccc(-c2nnn(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 58406824 DIZNYBKTZZJVCR-INIZCTEOSA-N 358.423 1.786 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2cccs2)s1 48309751 JRNGZPLPAOXKQE-UHFFFAOYSA-N 358.466 1.736 0 40 FDAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)C1 48310677 QQZHCIAOKURZDF-ZDUSSCGKSA-N 371.445 1.979 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2O)C1=O 109146617 DOYGBEWXAHINOW-WEVVVXLNSA-N 355.144 1.220 0 40 FDAB Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n2ncnc2n1 36618980 PUTGGVVNALHFQR-UHFFFAOYSA-N 366.381 1.157 0 40 FDAB CCOC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)oc1C 95984618 XLPVIJFMEHKPJH-GFCCVEGCSA-N 358.416 1.006 0 40 FDAB CCOc1ccccc1-c1nnc(SCc2cc(=O)n(C)c(=O)n2C)o1 11536738 XAGQPBDSBQUJPZ-UHFFFAOYSA-N 374.422 1.825 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccs2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4155120 MXPSHXUSZHGSQS-CFAJVAMVSA-N 354.424 1.914 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)cc1OC 14128986 QPFVXNWWFJJOFG-YPMLDQLKSA-N 361.398 1.138 0 40 FDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O 409236669 SYRPUSBEQHOQCV-XNTDXEJSSA-N 367.361 1.932 0 40 FDAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NC(C)(C)C)c(=O)c1CCO 67301046 ZXJOPCUXTDNSAG-UHFFFAOYSA-N 361.417 1.807 0 40 FDAB Cc1c2nnn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)c2nn1C 32647303 XFQLWDIXHLNMDT-UHFFFAOYSA-N 367.196 1.779 0 40 FDAB O=C1CN(C(=O)COc2ccccc2Cl)C2(CCCCC2)C(=O)N1 8527842 TULUUDBZCHTMDX-UHFFFAOYSA-N 350.802 1.907 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCSc2nnnn2C2CC2)cc1 8545206 NSZNPBIFHMBDQM-UHFFFAOYSA-N 369.472 1.429 0 40 FDAB Cc1nc(CN2CCN(C(=O)NCCN3CCCC[C@@H]3C)CC2)no1 72289180 PUGOOCJOUPGVKA-AWEZNQCLSA-N 350.467 1.080 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)N(CCCO)Cc2ccncc2)c1 75109165 DLXRETFINZCUPJ-UHFFFAOYSA-N 363.439 1.902 0 40 FDAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)s2)CC1 24977679 IZLMQUWAUKMZKK-UHFFFAOYSA-N 359.517 1.279 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1 306141278 VQLRPSQZQQHCIS-ZDUSSCGKSA-N 369.516 1.301 0 40 FDAB CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC(O)(C(N)=O)CC3)n2)cc1 549715804 DIBZDVAVDSEQOQ-UHFFFAOYSA-N 372.425 1.154 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CN(C(=O)CN(C)C)Cc2cn(C)nc21 72345617 UYTKNOBNZGFMFU-AWEZNQCLSA-N 371.441 1.055 0 40 FDAB Cn1nnc(-c2cccc(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)c2)n1 79495439 NMVQEXOKQNKWMU-UHFFFAOYSA-N 368.397 1.135 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)O 71334152 RJRXZVMUVZVECU-APPDUMDISA-N 361.373 1.665 0 40 FDAB O=C1C[C@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 72327526 UHPHOMHQXAPMIT-HXUWFJFHSA-N 372.421 1.262 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 40268186 VNRZHLQHBOBDBQ-HZSPNIEDSA-N 352.398 1.238 0 40 FDAB COc1cccc(N(CCCC(=O)NCCCN(C)C)S(C)(=O)=O)c1 224090737 GPKMUKGWZXETHZ-UHFFFAOYSA-N 371.503 1.309 0 40 FDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 570723646 RZVAYCZEKNKSAK-MRXNPFEDSA-N 369.425 1.190 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 225637533 OPTQFDVXJFNKQX-UHFFFAOYSA-N 367.452 1.653 0 40 FDAB Cc1nn(C)c(Cl)c1CNC[C@H](O)COc1ccc2c(c1)OCO2 63523670 UZZDIGIBJCHGAP-NSHDSACASA-N 353.806 1.640 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)NC2CCCCC2)cc1 224273698 BQDKFXQNEWRJND-UHFFFAOYSA-N 369.487 1.948 0 40 FDAB COc1nn(C)cc1C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001918 WLDMCDSUDDINFB-AATRIKPKSA-N 372.425 1.704 0 40 FDAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 223040120 LXMLYWWEGICRNE-NSHDSACASA-N 364.423 1.842 0 40 FDAB COC(=O)N(C)CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 48094555 TVHHJNVWHFSIOA-HNNXBMFYSA-N 353.394 1.013 0 40 FDAB Nc1cc(N)nc(S[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n1 80338757 OAUHXXFDGPGASV-DOMZBBRYSA-N 359.455 1.770 0 40 FDAB O=C1CN(C(=O)NCC[C@@H]2COc3ccccc3O2)[C@@H]2CCCC[C@@H]2N1 333002248 KWEVZBUTSPVZFI-QLFBSQMISA-N 359.426 1.669 0 40 FDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccccn1 95476428 YCOORKDPQWQMQT-INIZCTEOSA-N 352.394 1.455 0 40 FDAB O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 514290415 YPBZGZAQNMRDEZ-LEWJYISDSA-N 355.526 1.977 0 40 FDAB biogenic,in-vitro CCOC(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(S(C)(=O)=O)C2 96055990 JXHQABPOLLATBG-YOEHRIQHSA-N 370.471 1.316 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(C(=O)NC)CCN(C(=O)Nc1ccccc1)C2 96262164 PCNXHYNXISATNX-IBGZPJMESA-N 373.457 1.414 0 40 FDAB CC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2)CC[C@H]1C(F)(F)F 583616402 NTFABMPNIRAIGR-YPMHNXCESA-N 350.362 1.907 0 40 FDAB COC(=O)c1ccc2nc(CNC(=O)c3nnc(C(C)(C)C)o3)[nH]c2c1 585138303 CQHYDSJOXCFTKD-UHFFFAOYSA-N 357.370 1.960 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCN(Cc4cccnc4)C3)nc2n(C)c1=O 257229388 FXXMGEUACSKOAL-AWEZNQCLSA-N 351.410 1.017 0 40 FDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257271486 MYOBFITXVPVRFZ-HNNXBMFYSA-N 357.462 1.537 0 40 FDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)Cc1nonc1C 257322128 WERPTIVCYHVALA-HNNXBMFYSA-N 358.402 1.019 0 40 FDAB Cc1ncc(CNC(=O)CCn2ccccc2=O)c([C@@H]2CCCN2C)n1 257282263 OTBDSYBZOXKBDT-INIZCTEOSA-N 355.442 1.420 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)Cc3cccnc3)CC2)C[C@H](O)C1(C)C 257290252 QCECUPKVNKOVRZ-KRWDZBQOSA-N 359.470 1.625 0 40 FDAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3ccccc3)CC2)CC1 257221716 DQGFNLFFTNPGAW-NRFANRHFSA-N 373.497 1.644 0 40 FDAB CC(C)n1nccc1NC(=O)CN1CCC[C@](C(N)=O)(c2ccccn2)C1 257229291 FXNBEXXYTYXJNH-LJQANCHMSA-N 370.457 1.317 0 40 FDAB CN(C)S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257275434 NPJZFTMTUHTAEC-HNNXBMFYSA-N 363.443 1.400 0 40 FDAB Cc1cc(NC(=O)Cn2ccc(O)nc2=O)cnc1N1CCCC[C@@H]1C 272610873 UOGQFKCLIXCLMP-ZDUSSCGKSA-N 357.414 1.670 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 643807152 PUHOEWQHELMBFL-QGZVFWFLSA-N 350.369 1.353 0 40 FDAB Brc1cnc(OC[C@@H]2CCCN(CCn3nccn3)C2)nc1 1775995749 HLNUZIBDADDLRW-GFCCVEGCSA-N 367.251 1.622 0 40 FDAB Cn1cnc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c1 575406103 VSVHGIWWMUPBCW-CQSZACIVSA-N 351.472 1.563 0 40 FDAB COc1cc(OC)nc(N2CCC[C@]3(CCC(=O)N3CCF)CC2)n1 585100185 HIHOVZFZSYZTTC-KRWDZBQOSA-N 352.410 1.815 0 40 FDAB CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1c(F)cc(OC)cc1F 681693982 CFMDZRLABVOZFA-CYBMUJFWSA-N 362.398 1.605 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 50841740 PNMIENYZGQYBSJ-AWEZNQCLSA-N 352.818 1.101 0 40 FDAB CC1(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)OCCO1 79074965 BPUYLERAQTURGV-UHFFFAOYSA-N 351.447 1.326 0 40 FDAB O=C(c1c[nH]nc1[C@H]1CCCCN1)N1CCN(c2ccccc2)C(=O)C1 685941653 FPQRQBQYBUDEPL-MRXNPFEDSA-N 353.426 1.713 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)COc3ccccc3F)nc2s1 5297838 FZGFKYVDPTYXCQ-UHFFFAOYSA-N 363.370 1.975 0 40 FDAB CC[C@H](C(=O)NCCCn1ccnc1)N(c1ccccc1)S(C)(=O)=O 13711738 MTSXHEXKTITSRD-MRXNPFEDSA-N 364.471 1.634 0 40 FDAB CCc1n[nH]c(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c1C 19520955 HQRKILSYKWZCQT-UHFFFAOYSA-N 356.430 1.106 0 40 FDAB NC(=O)C1CCN(C(=O)CN2CCC(Oc3ccccc3F)CC2)CC1 19659204 RQTIPRHYSZSDQQ-UHFFFAOYSA-N 363.433 1.393 0 40 FDAB Cn1cc(C(=O)N2CC[C@H](C(=O)NCCc3ccccc3)C2)ccc1=O 19748122 YGSSGDWCEYDWHY-INIZCTEOSA-N 353.422 1.206 0 40 FDAB Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(C(F)F)nc2)cn1 594350219 ZZRMRRRGXADEMG-RKNYENMMSA-N 354.382 1.699 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cn5cccn5)C[C@H]4C3)n1)CCC2 1888867050 HFLUZZAZDWKIOH-GASCZTMLSA-N 352.442 1.065 0 40 FDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 23376364 JOUVREDQWRPAOM-INIZCTEOSA-N 358.467 1.802 0 40 FDAB CCc1ccc(N2C[C@@H](C(=O)NCC(C)(C)N3CCOCC3)CC2=O)cc1 24082678 PXXGURTUFXBQAF-KRWDZBQOSA-N 373.497 1.829 0 40 FDAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 25331122 WDYDBACCBXDKDJ-UONOGXRCSA-N 354.472 1.886 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 240122333 VVSILPIHCMHNLR-ZHCJQAHYSA-N 351.399 1.116 0 40 FDAB Cc1cc(C)nc(N2CCO[C@]3(CO[C@@H](C(=O)NCC(F)(F)F)C3)C2)n1 2056226761 ZIVQFCPNAKDRNB-DOMZBBRYSA-N 374.363 1.136 0 40 FDAB CC(C)c1noc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 2087131598 UZOGSMUWOXMNTE-HUUCEWRRSA-N 354.410 1.810 0 40 FDAB COc1cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)nc(C)n1 48985257 MPZJHBRHODPPMV-UHFFFAOYSA-N 367.409 1.826 0 40 FDAB Cn1cc(-c2ccc(CNC(=O)[C@@H]3COc4ccccc4O3)cn2)cn1 575617224 UOPYCFMSVDJEDL-SFHVURJKSA-N 350.378 1.938 0 40 FDAB CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19523570 VCFMLOZEDKKRPH-YOEHRIQHSA-N 368.485 1.881 0 40 FDAB Cc1cc(C)cc(OCCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 40070338 HIWVQLYKLLDSIU-UHFFFAOYSA-N 369.487 1.023 0 40 FDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 30344984 CNEJNIFEWDFBDD-DJJJIMSYSA-N 371.393 1.495 0 40 FDAB COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1 50582201 XVOGGUSAABMAFY-QLFBSQMISA-N 351.447 1.703 0 40 FDAB COc1ccc(OC(F)F)c(NCC(=O)NCC(=O)N2CCCC2)c1 50783595 QJEHRKUADFWZDK-UHFFFAOYSA-N 357.357 1.447 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081195 SCFSYXWTXWATKA-IYVPYFHTSA-N 357.337 1.359 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cc2NC1=O 32772905 CTWNADMJEGBNMQ-LLVKDONJSA-N 364.361 1.755 0 40 FDAB O=C(CN1CCN(Cc2nnsc2Cl)CC1)NCc1ccccc1 21436214 MCFTUMQGRDYMPC-UHFFFAOYSA-N 365.890 1.626 0 40 FDAB COC(=O)COc1cc(C(=O)N[C@H](C)c2cnn(C)c2C)ccc1OC 52578403 RZMOUBICFVMVTR-LLVKDONJSA-N 361.398 1.780 0 40 FDAB Cc1ccccc1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccccc3)[C@@H]2C1=O 102829415 MWQKMWFOQJJWCY-IRXDYDNUSA-N 363.377 1.927 0 40 FDAB CN1CCN(Cn2c(=S)n(CN3CCN(C)CC3)c3ccccc32)CC1 22036051 BEFBTAFOKSNAFO-UHFFFAOYSA-N 374.558 1.582 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(Cc2cccs2)CC1 22804644 JMUBXXLPKRTCDC-AWEZNQCLSA-N 372.494 1.992 0 40 FDAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)n1 852703 WSQPMZKOBNUEID-UHFFFAOYSA-N 358.379 1.324 0 40 FDAB CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O 2097069 OQKPFTGTVANENL-XQQFMLRXSA-N 365.455 1.183 0 40 FDAB COc1ccc(OCCN(C)C(=O)CNC(=O)Cc2ccccc2)cc1 23648789 CPOZLZVMBLPVAV-UHFFFAOYSA-N 356.422 1.891 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)C1CCN(C(=O)C2CC2)CC1 12523067 URNMMFFWTAMAEG-UHFFFAOYSA-N 353.426 1.532 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O 4477159 LZNQCIUNSRKOLP-SFHVURJKSA-N 360.414 1.468 0 40 FDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 7289769 LVQQDXMDFWFKFV-GOSISDBHSA-N 361.398 1.487 0 40 FDAB Cn1cccc1C(=O)NCCNS(=O)(=O)c1ccc2c(c1)CCCC2 24777570 YUIWDKIZHXSMDV-UHFFFAOYSA-N 361.467 1.612 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cn3c(=O)oc4ccccc43)CC2)no1 24716265 OGWMUYVWECVQMP-UHFFFAOYSA-N 371.397 1.105 0 40 FDAB O=c1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2ccccn12 25139115 OLIHFHAFAZLZNY-UHFFFAOYSA-N 364.405 1.745 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 1425435 DWKXWSHPICQWLV-VXGBXAGGSA-N 365.455 1.189 0 40 FDAB CCOC(=O)CCN(CC1CC1)c1ncnc2c1cnn2CC(=O)OC 84793438 MQEOUXWWQKIEBC-UHFFFAOYSA-N 361.402 1.169 0 40 FDAB CSc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 3356084 SYLAOKDVRJOYNQ-UHFFFAOYSA-N 365.411 1.221 0 40 FDAB CCc1nnc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 10032314 OGVWOFUWSNDNOA-UHFFFAOYSA-N 368.434 1.668 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1 3552351 HEANRBZOEFNQMH-UHFFFAOYSA-N 361.419 1.606 0 40 FDAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12997582 QTKRIDRESGWYPQ-VXGBXAGGSA-N 372.516 1.131 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 12981039 ZRNZDCZFYQLFLH-UHFFFAOYSA-N 368.437 1.388 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCN(c3ncccc3C(N)=O)CC2)cc1 13012305 XGVSOUCJEUBFSG-UHFFFAOYSA-N 374.466 1.390 0 40 FDAB CCN(CC)CCCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 13624993 SYBUVJNOZMTUEN-KRWDZBQOSA-N 374.485 1.447 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13688368 GTXXFIWVDVFIOM-OLZOCXBDSA-N 367.471 1.030 0 40 FDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC(=O)NCCc1ccccc1 65521431 NOKUVGSXOJJENZ-KUHUBIRLSA-N 354.406 1.690 0 40 FDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCNC1=O 4547623 WKDZMNOJYNWGRO-UHFFFAOYSA-N 354.362 1.018 0 40 FDAB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(C(N)=O)cc1 14234268 FPEZYABZXKXZFX-UHFFFAOYSA-N 352.387 1.624 0 40 FDAB CC(C)OCCS(=O)(=O)N1CCN(Cc2ccc(Cl)o2)CC1 93886009 CPWRMOIALXVLGZ-UHFFFAOYSA-N 350.868 1.805 0 40 FDAB Cc1cccc(OCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 71768180 ORYLFDPTUZBVNB-UHFFFAOYSA-N 359.470 1.706 0 40 FDAB COc1cn(CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(CO)cc1=O 70666421 WMMDRSPPSSNXPD-UHFFFAOYSA-N 374.393 1.553 0 40 FDAB biogenic NS(=O)(=O)c1ccc(CNC(=O)CN2CCCc3ccccc32)cc1 8720686 FMILCBORPTYSIM-UHFFFAOYSA-N 359.451 1.403 0 40 FDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccco3)cn2)C[C@@H](C)O1 72304734 OXNHFEJPSLXYSV-BETUJISGSA-N 361.402 1.434 0 40 FDAB CC[C@@](C)(CCCNC(=O)c1cccc(OCC(N)=O)c1)C1OCCO1 72306326 PGVCPRPFZMFOEO-IBGZPJMESA-N 364.442 1.850 0 40 FDAB CC(C)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)on1 95998848 JHRUGBWYTQZPKJ-CYBMUJFWSA-N 371.459 1.065 0 40 FDAB CCN(C)C(=O)CCN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999706 IYIPCQXDSKXLPI-IBGZPJMESA-N 372.513 1.668 0 40 FDAB CN1CCC[C@H]1CCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 89427984 KXPZKQLRVAYPEN-AZUAARDMSA-N 356.514 1.894 0 40 FDAB Cc1ccc(-n2c(O)nc3nc(NCCN(C)C)ncc3c2=O)c(C)c1 67263948 PVWPIFIIUGEKFJ-UHFFFAOYSA-N 354.414 1.472 0 40 FDAB COc1ccc(CN2Cc3ccnn3[C@H](C(=O)N3CC(F)(F)C3)C2)cc1 306140737 VCQSUFDFBWXBMJ-INIZCTEOSA-N 362.380 1.926 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCCOC(C)C 408556164 CLUWLOOHCOXTLY-AWEZNQCLSA-N 372.487 1.602 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(OCCO)cc2)c1C 524734403 BKQIOFSBZAUUNF-UHFFFAOYSA-N 359.411 1.964 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccncc1 524731971 RGPSFWACTVUYDL-KNBMTAEXSA-N 351.406 1.850 0 40 FDAB biogenic O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc2ccc(=O)oc2c1 32990817 NDFCVQKCFIVORL-UHFFFAOYSA-N 370.361 1.953 0 40 FDAB COc1cc(C(=O)Nc2nc(S(C)(=O)=O)ns2)cc(OC)c1OC 36626349 XEFOOZUIQACJKY-UHFFFAOYSA-N 373.412 1.220 0 40 FDAB Cc1nc2ccccn2c1C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225401666 ZCSLCKYQXPZPRR-AWEZNQCLSA-N 366.425 1.792 0 40 FDAB O=C1CN(C(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)CCN1 40285742 XULOJZMQEYHEMN-UHFFFAOYSA-N 362.769 1.444 0 40 FDAB Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c1C 222659691 UTCQNMFOEHBHTL-UHFFFAOYSA-N 357.410 1.827 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1 225676199 DPEYBMMLDHWREX-SNAWJCMRSA-N 365.480 1.960 0 40 FDAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 224314977 LBFNCCODFAXCIQ-UHFFFAOYSA-N 365.434 1.193 0 40 FDAB Fc1cnc(N2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)nc1 96244076 RQQQPFAGUAWKMI-GOSISDBHSA-N 356.405 1.906 0 40 FDAB O=C(c1ccncn1)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040422 ZYJHYZIUQMVHDU-APWZRJJASA-N 354.410 1.962 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 580898556 OCURKXYTYZUSOT-SJORKVTESA-N 367.467 1.878 0 40 FDAB O=S(=O)(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239695 DCEZTHBEPKSYSA-AWEZNQCLSA-N 358.414 1.506 0 40 FDAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1OCC(N)=O 524729370 QIHCLAIQSMKDGB-LBPRGKRZSA-N 372.377 1.007 0 40 FDAB biogenic COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 252516175 QLIXGLJMKAXNKZ-CEXWTWQISA-N 361.463 1.881 0 40 FDAB CCn1cc([C@H]2CN(C(=O)Cc3nn(C)c4ccccc34)CCO2)cn1 585140189 PYSCICPMMJBMFA-GOSISDBHSA-N 353.426 1.932 0 40 FDAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)OC[C@]1(C)O 257228556 FUGQYHFRDGVVFB-HOCLYGCPSA-N 352.456 1.399 0 40 FDAB Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc(C(=O)N(C)C)n1 257264288 LTTDRXZSCAQRLB-AWEZNQCLSA-N 371.441 1.878 0 40 FDAB COc1ncccc1C(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257310934 UHGANYJMZMRCJE-UHFFFAOYSA-N 355.442 1.695 0 40 FDAB Cc1cc(C)n2ncc(CN3CCOC[C@@H](Cc4ccncn4)C3)c2n1 257199885 ABDNZWNUTGRWLN-INIZCTEOSA-N 352.442 1.827 0 40 FDAB CC(=O)N1[C@@H](CNC(=O)Cn2cc(C)cn2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257324756 WQANYHRQMHICDG-VXIBKDFQSA-N 362.474 1.238 0 40 FDAB Cc1noc(C)c1C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257233996 GRQFEEYERRRDHL-FQEVSTJZSA-N 355.438 1.927 0 40 FDAB O=C(c1cccc([C@H]2CCCN(Cc3cc[nH]n3)C2)n1)N1CCOCC1 257217456 CZAYEAVVJAKWCJ-HNNXBMFYSA-N 355.442 1.657 0 40 FDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 547900915 DFGHZXBUVGOAHY-IGQOVBAYSA-N 355.460 1.858 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccnc1N1CCOCC1 667778670 KUQHTVHLBVMVFW-DOTOQJQBSA-N 357.458 1.519 0 40 FDAB Cc1snnc1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 585107857 UFYFOVFPTXMQOK-ZIAGYGMSSA-N 357.439 1.362 0 40 FDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3cc(C)on3)CC2)C1 585103932 UGPSIOJKYPFNFY-HNNXBMFYSA-N 351.447 1.430 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377822 JGIGEORIVXGFJA-AWEZNQCLSA-N 362.459 1.949 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCn1ccnc1 35310470 SNPVMQPZHLMUEB-ZDUSSCGKSA-N 371.894 1.581 0 40 FDAB C[C@@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)n1ccc(C(F)(F)F)n1 630824574 DZQUTWAGDGEWTE-UWVGGRQHSA-N 368.381 1.003 0 40 FDAB CC(=O)Nc1cccc([C@@H]2CN(C3COC3)C[C@]23CCCCC(=O)N3)c1 1615154681 HDVRRVQASXBSOH-AZUAARDMSA-N 357.454 1.872 0 40 FDAB O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)N1CCCC1 12117419 QVICAAJHHYRWHN-UHFFFAOYSA-N 355.423 1.780 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nnnn2C)c1 14516503 GXJTUDSWCUSALA-UHFFFAOYSA-N 371.422 1.841 0 40 FDAB CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n[nH]1 19451767 ZDHGXBTVDYJJDT-UHFFFAOYSA-N 354.458 1.989 0 40 FDAB CC(=O)OCC/C(SC(C)=O)=C(/C)N(C=O)Cc1cnc(C)nc1N 1565547 ISIPQAHMLLFSFR-XNTDXEJSSA-N 366.443 1.790 0 40 FDAB in-man CCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)cc1F)C2=O 8769163 QJYTWYUDVOIGRR-UHFFFAOYSA-N 366.368 1.310 0 40 FDAB COC1CCN(c2ccc(C(=O)N3CC[C@H](n4ccnn4)C3)cc2)CC1 253403680 QJJFIXMGVJYJPZ-KRWDZBQOSA-N 355.442 1.981 0 40 FDAB CCn1nc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2c1=O 4525550 JCBJOHGRHIAORT-CHWSQXEVSA-N 373.409 1.209 0 40 FDAB Cn1nc(C(=O)OCc2nc(N)c3ccccc3n2)c2ccccc2c1=O 9548289 ROXGYKSYTVLQFK-UHFFFAOYSA-N 361.361 1.816 0 40 FDAB O=C([C@@H]1CN(c2ccc3cc(Cl)ccc3n2)CCO1)N1CCOCC1 1889139074 RHRLIHRWRRYVEN-INIZCTEOSA-N 361.829 1.952 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 25439000 OGCFCWXTFHJTRB-OAHLLOKOSA-N 373.409 1.154 0 40 FDAB COC[C@H]1CN(C)C(=O)[C@H]2CCN(C(=O)Cc3ccc(F)cn3)CC[C@H]21 1565541853 CNPYFXORMDEZPL-COXVUDFISA-N 363.433 1.353 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(CC3=CCCOC3)CC2)[nH]1 2055745853 ICPPZNBXHOBEQS-UHFFFAOYSA-N 373.501 1.058 0 40 FDAB CN(C)c1ccc(N2CCC[C@@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)nc1 2055835024 RCGMCLQDGNSQGT-IBGZPJMESA-N 370.457 1.382 0 40 FDAB CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccs1 27679321 HVJRIUNQRIIDAH-CYBMUJFWSA-N 359.517 1.139 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146032 XYZJRDWLOIGRFN-OHYFQZGNSA-N 355.390 1.832 0 40 FDAB COc1cc(C)c(S(=O)(=O)NCC(=O)N2CCCCC2)cc1OC 32444816 HFEDLEBRRKHNPD-UHFFFAOYSA-N 356.444 1.303 0 40 FDAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CCCC1 21023832 HCLYRRQQJNQEAG-UHFFFAOYSA-N 355.373 1.756 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 32667973 ASGNHSBIVMHZHS-OAHLLOKOSA-N 357.414 1.450 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)Nc1cccc(F)c1 32777748 UYNUFHJHFSCAGQ-VIFPVBQESA-N 371.415 1.842 0 40 FDAB COc1ccc2c(c1)CCCN2C(=O)C1=NN(c2ccccc2)C(=O)CN1 32947948 MCDDGRRCAHLEMJ-UHFFFAOYSA-N 364.405 1.924 0 40 FDAB COc1ccc(F)cc1CN1CCN(CC(=O)Nc2cc(C)on2)CC1 22784855 PPZOZKLVQAXHMW-UHFFFAOYSA-N 362.405 1.887 0 40 FDAB CN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Br 37574346 IMSUCHDWFRZQOG-UHFFFAOYSA-N 351.241 1.961 0 40 FDAB COC(=O)c1ccc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 23641893 FYKWDNNDSLNUKC-UHFFFAOYSA-N 373.409 1.344 0 40 FDAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 79088660 YQJGNUYSKGSMSN-ZVUFPHILSA-N 371.547 1.430 0 40 FDAB CCOc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3543836 ILVMZXDERLWRPK-UHFFFAOYSA-N 359.382 1.757 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 3557563 HXGFNAAQIIFDTJ-OAHLLOKOSA-N 356.334 1.769 0 40 FDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)n1 6636091 ONALAZNSDPDXPX-UHFFFAOYSA-N 364.431 1.617 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 6817840 BKODOWDJXLKMPX-UHFFFAOYSA-N 358.420 1.960 0 40 FDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 6817853 VZPRWWFCLKWBQK-UHFFFAOYSA-N 358.420 1.960 0 40 FDAB CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCC(N)=O 8253731 QUFMGTNUIDORRE-VIFPVBQESA-N 361.236 1.182 0 40 FDAB CN(C)C(=O)[C@@H]1[C@H]2NC(=O)N(C)[C@@]1(C)Oc1ccc(Br)cc12 106811888 YOJMRKCJERXPOY-HUBLWGQQSA-N 368.231 1.958 0 40 FDAB COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1CS(=O)(=O)C2 1403070 FLWRJBGLLLEOBE-UHFFFAOYSA-N 367.354 1.753 0 40 FDAB C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCCO1 107342144 OCXQEXMCNZIPKO-BJOOFOGMSA-N 371.437 1.146 0 40 FDAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CCn1cccc1 73119524 HKQLELYHPVNISR-UHFFFAOYSA-N 357.410 1.998 0 40 FDAB CC[C@](C)(Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCOCC1 48253620 HBJYEPBGYPXRIF-QGZVFWFLSA-N 351.834 1.844 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 22193284 QEZRHTCHQFTDRG-UHFFFAOYSA-N 362.389 1.927 0 40 FDAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 58191280 OMXNQJGSKNEFAQ-KRWDZBQOSA-N 361.398 1.971 0 40 FDAB Cc1ccccc1CN1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 108530487 LUFYRSNXGCEIQB-OALUTQOASA-N 352.438 1.901 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 10259670 SFKLYSUNZDXEDS-UHFFFAOYSA-N 358.439 1.562 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 100642645 LDXMVMBHJUGHRZ-RSUWNVLCSA-N 364.195 1.909 0 40 FDAB O=C(CN1CCc2ccccc21)Nc1cccc(CN2C(=O)CNC2=O)c1 48320507 UBEHONUDRUGIFC-UHFFFAOYSA-N 364.405 1.740 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@@](C)(C1=O)C2(C)C 100773113 UNEQCWOUQAIUAA-YWZLYKJASA-N 374.485 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O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC12CC3CC(CC(C3)C1)C2 102849658 BJDVPHHCCRQMCN-FXXPGJDPSA-N 354.450 1.879 0 40 FDAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(=O)n(C)n2)C[C@@H](C)O1 22973945 PPFAHWQDPDQUEJ-CHWSQXEVSA-N 370.409 1.282 0 40 FDAB Cn1c(C(=O)Nc2ccc(C(N)=O)cc2)cc2c(=O)n3ccccc3nc21 2917190 DIDPNNBDOLCTCS-UHFFFAOYSA-N 361.361 1.537 0 40 FDAB COc1ccccc1OCCNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 61721131 XFCMBOOQYGFXQW-UHFFFAOYSA-N 358.350 1.527 0 40 FDAB CCOC(=O)C1=C(CSc2ncn[nH]2)NC(=O)N[C@H]1c1cccs1 12511198 NACVAMMHQCZLNM-NSHDSACASA-N 365.440 1.830 0 40 FDAB Cc1cccc(N2CCN(C(=O)COC(=O)c3c(C)noc3N)CC2)c1C 12534694 IFRHQKQCFXCFKV-UHFFFAOYSA-N 372.425 1.688 0 40 FDAB CC(C)[C@@H](NS(C)(=O)=O)C(=O)OCc1nc(-c2ccc(F)cc2)no1 78999604 BJYTXDNBAFOBMR-CYBMUJFWSA-N 371.390 1.493 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CSCC(=O)Nc2cc(C)on2)n1 23984060 VSHIHECMTFMFNK-UHFFFAOYSA-N 365.459 1.675 0 40 FDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(Br)cc1 3252128 VGLFNRRMNIKJGO-UHFFFAOYSA-N 374.231 1.727 0 40 FDAB C[C@@H]1CN(C(=O)COC(=O)c2cc(Br)ccc2N)C[C@@H](C)O1 4246439 AIRYWBUUJHJYOW-NXEZZACHSA-N 371.231 1.824 0 40 FDAB NC(=O)N[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 95447649 UWIMPPSAPLAUPK-CYBMUJFWSA-N 358.423 1.883 0 40 FDAB O[C@@H]1[C@H]2O[C@@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 4963553 RMBCOPKGIYEQJZ-ZYXUFUNZSA-N 356.374 1.687 0 40 FDAB CCOCCCNC(=O)NC(=O)COC(=O)CCOc1ccccc1C 7985666 ZBRWRJXLWXAFFS-UHFFFAOYSA-N 366.414 1.560 0 40 FDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C)C1 106551313 KYAWMGBQANXGEF-CKEIUWERSA-N 366.483 1.399 0 40 FDAB O=C([C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1)N1CCCC1 35388088 GESKOWOGTQJIGX-GOSISDBHSA-N 351.454 1.962 0 40 FDAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccccc2)cc1 1853145 KESKEBDFOUHYDU-UHFFFAOYSA-N 368.389 1.267 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(C)nc3ccccc3c2=O)C1 57711367 MNLAGDOZICOINC-AWEZNQCLSA-N 357.410 1.507 0 40 FDAB CCOc1ccccc1OCC(=O)NCc1cccnc1-n1cncn1 58200784 NQRZHEYGVHNATQ-UHFFFAOYSA-N 353.382 1.756 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)cnc12 58277553 NDVRVOWQXLVZQL-HNNXBMFYSA-N 370.453 1.468 0 40 FDAB CN1C(=O)NC2(CCN(CC(=O)Nc3nc4ccccc4s3)CC2)C1=O 56932022 QTMZZBCMURKKGI-UHFFFAOYSA-N 373.438 1.251 0 40 FDAB CCC(=O)N[C@H]1CCCN(C(=O)CCn2c(=O)n(CC)c3ccccc32)C1 58332349 MKEVNXYUAAWPPA-HNNXBMFYSA-N 372.469 1.730 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(C(=O)Nc3ccn(C)n3)CC2)cc1 10585741 BDCINTSXSIYOQJ-UHFFFAOYSA-N 356.430 1.517 0 40 FDAB COC(=O)C(NC(C)=O)(Nc1ccc(Br)cc1)C(=O)OC 2287502 PNWLBHDIERSOTQ-UHFFFAOYSA-N 359.176 1.039 0 40 FDAB COc1ccc(CCNC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 48340284 XMWSLAUOTCQRCD-UHFFFAOYSA-N 368.437 1.996 0 40 FDAB COC(=O)c1cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c(F)cc1F 89314222 CHELDHRDVLCBOH-JTQLQIEISA-N 357.357 1.546 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 3400113 ZNQRTGVIUSUKAD-UHFFFAOYSA-N 364.405 1.953 0 40 FDAB COc1ccc(Cl)cc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 2626746 FUYGYEGZPGDLAL-UHFFFAOYSA-N 359.769 1.991 0 40 FDAB O=C1Oc2ccc(O)cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 4041895 NWVNEIDOXFMQFU-NQMVMOMDSA-N 351.361 1.368 0 40 FDAB biogenic CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCn3nc(C)cc3C)ccc21 9218116 UFFFTCLAHLBECT-UHFFFAOYSA-N 369.425 1.343 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)OC)c2C)CC1 29157000 RSUGKWGPAJGCPH-UHFFFAOYSA-N 368.455 1.782 0 40 FDAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H]1CCS(=O)(=O)C1 4484927 CPPSOFAHHRNOEO-VIFPVBQESA-N 359.860 1.612 0 40 FDAB O=C(c1ccc(O)nn1)N1CCN(CCOc2ccc(Cl)cc2)CC1 27991885 DIRINTPQJZLVQW-UHFFFAOYSA-N 362.817 1.672 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)OCc3ccc4c(c3)OCO4)ccc2c1=O 65577631 REUBTTCFKYWFCT-UHFFFAOYSA-N 368.345 1.795 0 40 FDAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1OC 5536465 CRAGSYHFNALGKR-NSHDSACASA-N 372.377 1.987 0 40 FDAB CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCCCC3)c2C(N)=O)CO1 6661253 JBUJBJNEAOSILQ-UHFFFAOYSA-N 365.455 1.649 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898614 HPUAWZDBWNFJTB-KWBADKCTSA-N 350.268 1.610 0 40 FDAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC)CC2)cc1 409388753 FFOZDLILQXITLL-UHFFFAOYSA-N 353.488 1.082 0 40 FDAB CCN1CCO[C@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)C1 91842695 OHNQFJQOZITYTL-STQMWFEESA-N 354.476 1.333 0 40 FDAB CCCOC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 21738903 NRWUJAJTZRBKKY-UHFFFAOYSA-N 369.439 1.827 0 40 FDAB CC[C@@H](C)NC(=O)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(C)cc2)C1=O 9077035 RWYRFCLYFNINLP-YJYMSZOUSA-N 374.441 1.776 0 40 FDAB O=C(CCNC(=O)Nc1ccc(Br)cc1)NCc1cn[nH]n1 97227520 LNRAWXLKUWICAK-UHFFFAOYSA-N 367.207 1.395 0 40 FDAB Cc1cc(C(=O)N2CC[C@H]3[C@H](CC2)CCN3C(=O)c2ccnnc2)[nH]n1 306144834 ZPUMKVWJYWQAHB-CJNGLKHVSA-N 354.414 1.275 0 40 FDAB COC(=O)CNC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C 36364783 YUYUZAUOZOYMLC-UHFFFAOYSA-N 371.418 1.718 0 40 FDAB CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 49400375 UGMHCRNWJCGDSV-UHFFFAOYSA-N 358.377 1.515 0 40 FDAB CN(C)C[C@H]1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 187816145 KJCUDQKDMSKJTD-CQSZACIVSA-N 365.453 1.150 0 40 FDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1sccc1-n1cnnn1 40088106 SRHDSKBXWDVWAJ-UHFFFAOYSA-N 368.422 1.781 0 40 FDAB COc1ccc2c(c1)CCN(C(=O)NC[C@H]1CCCS1(=O)=O)CC2 333442346 MATJCJNBZYDUFV-MRXNPFEDSA-N 352.456 1.383 0 40 FDAB CCc1cnc(N2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)nc1 96159132 CDTQPOGRRDZUBU-UHFFFAOYSA-N 353.426 1.836 0 40 FDAB COc1ccccc1OCCN1C[C@H](C(=O)Nc2ccccn2)CC1=O 96232019 NOKDPLYVQJGIBN-CQSZACIVSA-N 355.394 1.956 0 40 FDAB Cc1ccc(C)c(CN2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)c1 96107907 VZUDKVFFFOMYFC-QZTJIDSGSA-N 352.500 1.976 0 40 FDAB COc1ccc(Cc2nnc3sc([C@H]4CCS(=O)(=O)C4)nn23)cc1 96232329 NNWPMEPWPUSOSJ-NSHDSACASA-N 364.452 1.687 0 40 FDAB COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)cc1 96057496 JKXUWBSHMBYNPZ-GUDVDZBRSA-N 360.454 1.676 0 40 FDAB CCS(=O)(=O)[C@](Br)(I)[C@@H](C)O 96521159 LYTSPHYFTSMJDL-RFZPGFLSSA-N 357.007 1.286 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)cc1 90626723 SEPJBCLUBLCKCE-UHFFFAOYSA-N 354.410 1.831 0 40 FDAB COc1cccc2c(C)c(C(=O)N3CCN(C(C)C)[C@H](C(N)=O)C3)[nH]c12 257253451 JYZBOLPWBDGDJP-AWEZNQCLSA-N 358.442 1.505 0 40 FDAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257237789 HIEZODJNDRXAQD-JTQLQIEISA-N 354.457 1.946 0 40 FDAB COc1c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2nn1C 85558322 KRJROUIVUNNTKZ-UHFFFAOYSA-N 352.398 1.334 0 40 FDAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 257300070 RSTGTYQLPBYRIC-UHFFFAOYSA-N 364.398 1.781 0 40 FDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1(F)F 289548002 CWIFUZPGTOQJOC-ZDUSSCGKSA-N 371.365 1.603 0 40 FDAB O=C(Cn1nc2n(c1=O)CCCC2)Nc1nnc(Cc2ccccc2)s1 649494241 HGXNYLFQEHECTC-UHFFFAOYSA-N 370.438 1.462 0 40 FDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC 36589763 HEHCIYGPTYUJJW-BDJLRTHQSA-N 358.398 1.637 0 40 FDAB biogenic CN(Cc1nnc2n1CCOCC2)C(=O)[C@H]1COc2cc(F)ccc2C1 1615545543 ANYXCODFBZZZOL-CYBMUJFWSA-N 360.389 1.200 0 40 FDAB CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)[C@@]1(O)CCCOC1 620114615 QGZAHVIRZNIQHL-NRTGNBEESA-N 352.475 1.365 0 40 FDAB COC(=O)c1ccc2c(=O)n(C[C@H](O)c3ccccc3OC)c(=O)[nH]c2c1 32929995 ZEJKHBGJMWADSK-HNNXBMFYSA-N 370.361 1.219 0 40 FDAB CCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 1775963980 MMAYOLOJWNQNKQ-LBPRGKRZSA-N 368.390 1.371 0 40 FDAB biogenic,in-vitro O=S(=O)(NCCSc1nnnn1C1CCCC1)c1ccccc1 48188630 QWTHUORVFQYXOV-UHFFFAOYSA-N 353.473 1.859 0 40 FDAB CCc1ccccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 47352311 LDPMPENNVWQZHP-UHFFFAOYSA-N 354.458 1.983 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(CC(=O)N(C)C)CC1 96315976 RNVKTYFWSWXYSL-HNNXBMFYSA-N 362.474 1.036 0 40 FDAB NC(=O)C1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 12751863 NJCHCLPTPVETRH-UHFFFAOYSA-N 357.332 1.159 0 40 FDAB Cc1ccc(C)c(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)c1 14401301 QRRLDVNPTHRCSF-UHFFFAOYSA-N 367.515 1.624 0 40 FDAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2[C@H]2CCCO2)on1 19122605 XZZTUMNIJIRQIV-CQSZACIVSA-N 357.414 1.993 0 40 FDAB Cc1cnn(CC(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)c1 19239950 BCZDQKIIXSFEBM-UHFFFAOYSA-N 355.398 1.661 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)NC[C@H](C)N3CCOCC3)c(C)n2n1 19714094 AOYWRSVBOWDDLF-AWEZNQCLSA-N 359.474 1.424 0 40 FDAB CN(CC(=O)N1CCCCC1)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1 19760124 DWRVAXJFERFWBL-INIZCTEOSA-N 360.506 1.411 0 40 FDAB Cc1nn(CC(=O)N[C@H](C)C(C)C)c(C)c1S(=O)(=O)N1CCCCC1 7024872 QBGZPDTYKYZGOV-CYBMUJFWSA-N 370.519 1.835 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)n1 1888843251 PBHADXQCUYFIQK-PHIMTYICSA-N 366.347 1.867 0 40 FDAB CN(CC1CN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)C1CC1 1888866774 KTBFLVZIRVHKDD-UHFFFAOYSA-N 350.419 1.629 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)nn2)n1 1888900923 XYJKEUJTJHYXBY-UHFFFAOYSA-N 362.441 1.965 0 40 FDAB Cc1ncsc1C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888901180 KSLINDYUZCITEF-VXGBXAGGSA-N 369.454 1.337 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nccc(OC)n5)C[C@H]4C3)ncnc21 1888903777 AKVVSBPLJNORIS-BETUJISGSA-N 366.429 1.217 0 40 FDAB O=C([C@@H]1CN(c2nc3c(F)cc(F)cc3s2)CCO1)N1CCOCC1 1889136250 MCLZQSHCFGQTDY-LBPRGKRZSA-N 369.393 1.639 0 40 FDAB CCN(CC)C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 2037873335 BGCFJFZIDYJOEZ-SLYNCCJLSA-N 373.497 1.559 0 40 FDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1cc(OC)no1)CC2 1146934553 GQBBIFCGFHPVSK-CYBMUJFWSA-N 365.430 1.420 0 40 FDAB Cc1ncnc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)c1C 1565556061 MFNUZZINRNYHIJ-DLBZAZTESA-N 356.426 1.659 0 40 FDAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1565542561 ALXKWNRHTSGJIX-VQIMIIECSA-N 355.442 1.415 0 40 FDAB Cc1cccc(-n2ccn(CC(=O)NCc3ccccc3)c(=O)c2=O)c1C 4569951 MJXKRHFFQRZMQE-UHFFFAOYSA-N 363.417 1.932 0 40 FDAB CC1=NN(Cc2cccc(C)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148002 KJVVZFQUFXPIPR-CYBMUJFWSA-N 366.425 1.699 0 40 FDAB O=C(C[C@H](NCCOCCO)C(=O)O)Nc1cc(Cl)cc(Cl)c1 10186500 GKRABCIWHWSNPV-LBPRGKRZSA-N 365.213 1.374 0 40 FDAB Cc1cc(C(=O)NCCn2ncc3c(N4CCCCC4)ncnc32)no1 17014119 VOWUCJXWPFVPOV-UHFFFAOYSA-N 355.402 1.543 0 40 FDAB O=C(c1cccc(Cl)n1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055747442 AGVDGCUETWIHJH-HZPDHXFCSA-N 358.829 1.855 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)s1 19216821 HXFQUYKKSZBBTF-GFCCVEGCSA-N 356.455 1.785 0 40 FDAB CC(=O)c1cccc(N2CN=c3s/c(=C/c4ccccn4)c(=O)n3C2)c1 5669104 ABCRIJZTSHAPEN-LICLKQGHSA-N 364.430 1.391 0 40 FDAB CC1CCN([C@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(C)C)CC1 40090776 UFPAMUHFVFNPJA-DLBZAZTESA-N 373.563 1.531 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 40068179 AXTFAIZDKWZFAN-UHFFFAOYSA-N 368.437 1.340 0 40 FDAB CCOC(=O)[C@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1c1ccc(OC)cc1 100099396 OTIWTQBEHDDZDU-IRXDYDNUSA-N 362.378 1.679 0 40 FDAB C[C@@]1(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)CCS(=O)(=O)C1 30998184 LZXDXJWXQNINPI-QGZVFWFLSA-N 367.423 1.114 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)NCCCN1CCc2ccccc21 31254820 DCHXWYPIWDXIKX-UHFFFAOYSA-N 362.433 1.966 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CCO1 50848726 SWIMGRQEVDDZGE-INIZCTEOSA-N 371.368 1.404 0 40 FDAB CCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1=CCCCC1 21249605 FADWCFSJDWVCOX-UHFFFAOYSA-N 359.430 1.130 0 40 FDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NCc1cccs1 32777760 LEBFXBAHLKWKGI-VIFPVBQESA-N 373.481 1.442 0 40 FDAB O=C(CC1CCCCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 32817388 ZVNOCFFQGPVUJL-UHFFFAOYSA-N 351.472 1.885 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2OC)nc1N 862071 JLVRRAQIUVHPFL-UHFFFAOYSA-N 362.411 1.975 0 40 FDAB O=C(CN1CCC(NC(=O)NC2CCCCC2)CC1)NCc1ccco1 4909269 FPJLACYGYIDTCX-UHFFFAOYSA-N 362.474 1.992 0 40 FDAB COC(=O)c1cc(CNC(=O)[C@H]2COc3ccccc3O2)ccc1OC 12698626 LNMQVEDUYBZONZ-QGZVFWFLSA-N 357.362 1.938 0 40 FDAB NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCOCC1)c1ccccc12 107195540 MMXDOXGWTMYSMA-OAHLLOKOSA-N 357.454 1.835 0 40 FDAB CC(C)(C)C(=O)NC[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100306581 JWVOMBSRRJBJRP-RTEYEHBSSA-N 354.406 1.662 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)CC(=O)NC(C)(C)C 27540768 PSUIHKOLFOKIGI-INIZCTEOSA-N 360.502 1.570 0 40 FDAB Cn1nnnc1-c1cccc(NCC(=O)N[C@H]2CCOc3ccccc32)c1 58168902 UNJWTEMJSQESIM-INIZCTEOSA-N 364.409 1.929 0 40 FDAB COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 95461145 KXFNFUVBHKLUBN-MRVPVSSYSA-N 355.322 1.010 0 40 FDAB C[C@H](NC(=O)NCC(=O)NCC(F)(F)F)c1ccc(-n2ccnc2)cc1 58168894 NINCYLIQADDOCY-NSHDSACASA-N 369.347 1.911 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108535426 JCXKVUJQWRBDQI-CQSZACIVSA-N 354.414 1.533 0 40 FDAB C[C@H]1CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCO1 58210717 XVGIAVSEXXWBKS-INIZCTEOSA-N 363.458 1.328 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c2ccccc12 58264150 YIOGXGNAKYQSOA-UHFFFAOYSA-N 363.439 1.624 0 40 FDAB CCn1nnc2cc(C(=O)NCc3ccc(CS(N)(=O)=O)cc3)ccc21 10706246 JTWJOSQZHQIDFH-UHFFFAOYSA-N 373.438 1.170 0 40 FDAB COc1cc(NC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC 28313733 LEJKNVWPGPLWNT-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCC2)cc1 3486235 TUPUZRZLHIMPJH-UHFFFAOYSA-N 354.428 1.153 0 40 FDAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 36569474 ZQAPBHXSKLRCBR-BZNIZROVSA-N 366.377 1.268 0 40 FDAB CSc1nc2nc(C)c(CC(=O)Nc3cccc(C(N)=O)c3)c(C)n2n1 12947325 FYEMLAXMPNPSAV-UHFFFAOYSA-N 370.438 1.743 0 40 FDAB CC(C)(C(=O)N1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 12934604 LWEFZNXWXJMMAD-UHFFFAOYSA-N 351.414 1.146 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCCC(=O)O)cc1C 95969623 QFLTYDCOGDKXIX-UHFFFAOYSA-N 356.444 1.295 0 40 FDAB CCOc1cccc(NC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1 95983847 HYPMUBVJDDAMQX-CQSZACIVSA-N 356.444 1.753 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)Oc2ccccc21 113948378 IVWKPVUYITVDQV-BRXULGCHSA-N 350.440 1.518 0 40 FDAB CC[C@]12CNC[C@](CC)(CN(C(=S)NC(=O)c3ccccc3)C1)C2O 28444241 BDYBISQLPJZVDK-JLYLLQBASA-N 361.511 1.774 0 40 FDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4308535 SHDRLJXZJAXOIB-GOSISDBHSA-N 359.357 1.892 0 40 FDAB C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCN(c2ccccc2)CC1 9322600 CNOIQHAVLRJUCC-HNNXBMFYSA-N 353.422 1.902 0 40 FDAB CCn1nc(C(=O)N(CCC(N)=O)c2ccccc2)c2ccccc2c1=O 9389775 HOPMRMKYBKZCBK-UHFFFAOYSA-N 364.405 1.939 0 40 FDAB CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc21 6941389 FSVCJXMJHFOAJA-UHFFFAOYSA-N 371.368 1.827 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCn2nnc3ccccc3c2=O)cc1 7006862 NVTNHTMZZDNMMV-UHFFFAOYSA-N 352.350 1.031 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 15842672 UAUYTQWNYVMPJW-CYBMUJFWSA-N 358.419 1.929 0 40 FDAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1S(N)(=O)=O 8111226 ZPWBKUXKKKESNF-UHFFFAOYSA-N 362.379 1.721 0 40 FDAB CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc21 72345852 OMDNCVOTJJKRSG-KRWDZBQOSA-N 362.455 1.293 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)nc3)n2)cc1 61718588 BGRIVFDRRAGUAV-UHFFFAOYSA-N 366.377 1.961 0 40 FDAB O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 17586293 LLZXASYAWTUZDT-HNNXBMFYSA-N 361.423 1.791 0 40 FDAB CN(CC(=O)Nc1ccc2[nH]ncc2c1)C1=NS(=O)(=O)c2ccccc21 95348846 NWMDETOOQMSQCC-UHFFFAOYSA-N 369.406 1.582 0 40 FDAB CN1C(=O)NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@@H]32)C1=O 8694634 KWLFSYNRWIXMLB-MLGOLLRUSA-N 367.327 1.925 0 40 FDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CC1=O 8745435 RXDLPRHPWGGPTQ-MAUKXSAKSA-N 369.465 1.677 0 40 FDAB Cc1sc2ncnc(N3CCC(C(=O)N4CCNC(=O)C4)CC3)c2c1C 8939531 NRBWKIWLMZRAFV-UHFFFAOYSA-N 373.482 1.483 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1 8945136 DSHJKTKMWDHVKN-LBPRGKRZSA-N 361.261 1.690 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CSc2nc(O)c3c[nH]nc3n2)c1 24747869 WXAYOMVVRCGKHK-UHFFFAOYSA-N 373.394 1.884 0 40 FDAB O=C(NC1CCN([C@@H]2CCOC2=O)CC1)[C@H]1C[C@H]1c1c(F)cccc1F 89768095 NLXWFLOBSLTFIO-DVOMOZLQSA-N 364.392 1.964 0 40 FDAB C[C@@H](c1nc[n+]([O-])cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 22067493 KPLFPLUCFPRUHU-MGPLVRAMSA-N 365.315 1.415 0 40 FDAB world CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCCC2)=C1C(=O)OC 67287844 FRTFCAUPWPIHHJ-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 524734367 WUCDIRHVDOWINE-ZDUSSCGKSA-N 357.362 1.687 0 40 FDAB CC(C)NC(=O)[C@@H]1CN(C[C@H]2CCOC2)C[C@]12Cc1ccccc1C(=O)N2 72334468 WIYGCFADBQIUOZ-FYINFDKHSA-N 371.481 1.204 0 40 FDAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCN(S(C)(=O)=O)CC1 74907354 KHMNTLMXVBEQSL-MRXNPFEDSA-N 371.478 1.680 0 40 FDAB CC(C)n1nnc(-c2ccc(O)c(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71284132 BGGPIQKQMDVPMW-OLZOCXBDSA-N 359.386 1.922 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(c2ncccn2)CC1 43941459 FICQMAVFMJABPI-UHFFFAOYSA-N 371.416 1.265 0 40 FDAB CC(C)N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 40087930 CBCRRPSTSYBISD-GFCCVEGCSA-N 370.413 1.498 0 40 FDAB COc1ccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c(OC)c1 40013605 JWMHKTRBDKPMFD-CRAIPNDOSA-N 350.459 1.534 0 40 FDAB Cc1ccccc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 45868769 NRBXDZDABKUMRT-UHFFFAOYSA-N 364.423 1.701 0 40 FDAB CCn1nc(C)cc1CNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 227168487 ZROUQVHQEFVXKR-LLVKDONJSA-N 364.427 1.409 0 40 FDAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860194 QRUVUHJYXPXNRT-LBPRGKRZSA-N 367.471 1.359 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc3c(c2)OCO3)n1 224177913 BNGSKFVQMMSSID-UHFFFAOYSA-N 356.382 1.280 0 40 FDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2O1 96042853 BNRNTAHBYJRCTG-CGTJXYLNSA-N 355.442 1.742 0 40 FDAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C3COC3)C[C@H]21 514290174 UCVUBDGPKYJWTK-AEFFLSMTSA-N 354.410 1.003 0 40 FDAB biogenic,in-vitro O=C(NCCc1nccs1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478677 PLXSOXHZELMJIG-NSHDSACASA-N 355.423 1.731 0 40 FDAB CN(C)CCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1C 96147635 JKXFWSHMUURAPA-UHFFFAOYSA-N 350.426 1.836 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)cn1 96157972 NBJKFGGUHRXYQL-UHFFFAOYSA-N 353.426 1.783 0 40 FDAB Cc1ccsc1CN1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1 248036748 MYKGCCBUGMWRDZ-CQSZACIVSA-N 360.483 1.748 0 40 FDAB CNC(=O)CN1CCN(C(C)=O)C[C@@H](Cc2ccc3ncccc3c2)C1 257256004 KJSBKQABHAMKKH-KRWDZBQOSA-N 354.454 1.304 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2cncs2)C1 257257765 KQZGQBJNXIIVHE-NSHDSACASA-N 353.473 1.586 0 40 FDAB CN(C)[C@H]1[C@H](NC(=O)Cc2ccncc2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257267046 MFSRFVGVBFMGLU-JYBIWHBTSA-N 373.428 1.390 0 40 FDAB CN(C(=O)c1cnn2cccnc12)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257208965 BOHZAQMUIDKRCL-IKGGRYGDSA-N 352.394 1.772 0 40 FDAB CCCn1cc(Cl)c(C(=O)N2CCO[C@H](c3nccnc3N)C2)n1 257284575 PDFNPWACYPZFLR-NSHDSACASA-N 350.810 1.532 0 40 FDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257292169 QKHDGLVUJWMZHM-AWEZNQCLSA-N 357.414 1.623 0 40 FDAB CCOc1cccnc1C(=O)N1CC2(CN(C)C[C@@H]2c2n[nH]c(C)n2)C1 1775958070 ASQWELNMALDDHO-CYBMUJFWSA-N 356.430 1.078 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 64474677 BCPYLHTYGVDUHI-UHFFFAOYSA-N 366.464 1.884 0 40 FDAB COc1ccc([C@H](NC(=O)CN2CCCCC2=O)C(=O)O)cc1Cl 630188093 DRMYCWRRXWZHLP-HNNXBMFYSA-N 354.790 1.603 0 40 FDAB CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(N2CCN(C)CC2)cc1 65533965 MNLBGACFYBZAMM-OAHLLOKOSA-N 356.474 1.931 0 40 FDAB Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n2ncnc2n1 671472544 YQRJWPBPDKMXBY-WMLDXEAASA-N 354.462 1.686 0 40 FDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(CCO)C(C)(C)C3)CC2=O)cc1 682009459 AKXFLDHKSMRHFY-SFHVURJKSA-N 373.497 1.259 0 40 FDAB CO[C@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C1CCCC1 656967060 GAVWKZAIQBISOP-GOEBONIOSA-N 362.536 1.298 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4ccsc4)CC3)[C@H]2C1 585106105 MKLANMRUQAMTGG-CVEARBPZSA-N 361.511 1.740 0 40 FDAB O=C(c1cnc(C2CC2)nc1)N1CCO[C@](CO)(Cc2ccccc2)C1 585276992 FGEOWDAPMDNZDB-HXUWFJFHSA-N 353.422 1.800 0 40 FDAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cccs3)cc2NC1=O 585281601 MOPMMBZVQFLOKS-NSHDSACASA-N 366.420 1.976 0 40 FDAB O=S1(=O)C[C@H](NCc2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)C1 54306917 RDVIGAFKDGJACL-IRXDYDNUSA-N 365.476 1.416 0 40 FDAB COc1ccc2c(c1)C=C(C(=O)N1CCC(S(C)(=O)=O)CC1)CO2 675507008 KTKDSMGHKSPWJD-UHFFFAOYSA-N 351.424 1.507 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)n1 5796325 ZCQOKTUHTJWITP-DTVLGXAZSA-N 352.412 1.934 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)CCC(=O)O 15676114 YXOTYLFEIQFJJE-INIZCTEOSA-N 370.409 1.186 0 40 FDAB biogenic,in-vitro O=C(N[C@H](Cc1ccsc1)c1cccnc1)[C@H]1CCS(=O)(=O)C1 19338010 XKDIUJMEJPPZEL-LSDHHAIUSA-N 350.465 1.978 0 40 FDAB O=C([C@H]1CCCO1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 19375626 DGQLQHYALHQQPQ-GXTWGEPZSA-N 363.439 1.426 0 40 FDAB COc1ccc(CN2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(F)c1 19551785 WNTMKAZOGQOTTQ-UHFFFAOYSA-N 367.384 1.933 0 40 FDAB COc1cccc(C(=O)N2CCc3nnc([C@H]4CCCN4C)n3CC2)c1 19706466 ZDEWZWFTUIVVCP-MRXNPFEDSA-N 355.442 1.752 0 40 FDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)Cc1cc[nH]n1 511612500 NZROFQBSDHDBQR-KRWDZBQOSA-N 369.425 1.223 0 40 FDAB C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)C(C)(C)C)C[C@@H](C)O1 35590429 LBMMVRNGBIYXTE-CHWSQXEVSA-N 360.462 1.602 0 40 FDAB Cc1cccc(CC(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)c1 1888910650 KULCRMPWXDNWLZ-IAGOWNOFSA-N 362.437 1.570 0 40 FDAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCOCC1 4377050 XGIPIEVSFDENRE-UHFFFAOYSA-N 356.411 1.137 0 40 FDAB COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CO)cc1=O 12230809 OXCLPAABVHLXJP-UHFFFAOYSA-N 372.299 1.887 0 40 FDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)o2)s1 35597510 FEOFOYIFCPBFPT-SECBINFHSA-N 372.428 1.149 0 40 FDAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NC[C@H]1CCCO1 2298109322 NSVMYFVGHWGORD-HUUCEWRRSA-N 373.444 1.251 0 40 FDAB O=C(NCCCCN1CCOCC1)c1nc(N2CCCC2)ncc1Cl 40154773 JBNSQQXFPGRWRT-UHFFFAOYSA-N 367.881 1.572 0 40 FDAB O=C(c1cccc(N2CCNC2=O)c1)N1CCN(Cc2ccncc2)CC1 40144911 PITBLMXBQKQZLB-UHFFFAOYSA-N 365.437 1.569 0 40 FDAB O=C1NCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 50635422 ONBLCUTZOWRMHY-VTZXFWRVSA-N 373.497 1.589 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2 31352986 STVCEFPHMNXKOJ-UHFFFAOYSA-N 359.407 1.093 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1-n1cnnn1 31995715 LCQKSJIWGQPQFN-XJKSGUPXSA-N 358.427 1.363 0 40 FDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 31998339 ZTCNACPWCONVCJ-UHFFFAOYSA-N 361.423 1.237 0 40 FDAB COc1ccc(Cl)cc1C(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 32810309 OVJBRSYODMNWKV-XJKSGUPXSA-N 368.861 1.816 0 40 FDAB C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(S(C)(=O)=O)cc1 32900163 VSUOEARVLXXGNA-LBPRGKRZSA-N 371.418 1.589 0 40 FDAB CC(C)OC(=O)CCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 52970544 BYVGVJKTRUDXTJ-UHFFFAOYSA-N 373.409 1.394 0 40 FDAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1OC 33470167 XSWPNIQRNGJFEK-VJTUXUFQSA-N 371.414 1.929 0 40 FDAB O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCN(Cc2ccco2)CC1 54481245 UNUQDYQDIYJSCC-INIZCTEOSA-N 357.410 1.822 0 40 FDAB Cc1ccc(C)c(CS(=O)(=O)c2nnc(N3CCOCC3)n2C)c1 78802942 OLHOBEPFCCRCCT-UHFFFAOYSA-N 350.444 1.242 0 40 FDAB COc1cc(C[C@@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 1667455 ZITBJWXLODLDRH-VLIAUNLRSA-N 374.389 1.804 0 40 FDAB endogenous,in-man COc1ccccc1NC(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(F)cc2)s1 105627019 QZSQAPTXIIFBAI-NHLSHGKWSA-N 370.405 1.832 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(C)=O 4911511 OCKGQEGOJDLTRW-UHFFFAOYSA-N 366.443 1.609 0 40 FDAB CC(C)n1nccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6354453 MVUOTANCBVTDMX-UHFFFAOYSA-N 370.365 1.242 0 40 FDAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCNC1=O 8177046 WABOQQFZHVKYMK-QMMMGPOBSA-N 353.429 1.776 0 40 FDAB O=S(=O)(NCc1ccccc1)c1ccc(OCCn2cnnn2)cc1 1423880 GIHJWCGYEOPJAG-UHFFFAOYSA-N 359.411 1.231 0 40 FDAB Cc1csc(CN2CC[C@@H]3OCCN(C(=O)c4ccncc4)[C@H]3C2)n1 108536053 HISCCKWEPLECRV-HOTGVXAUSA-N 358.467 1.962 0 40 FDAB COC(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 9690611 GZHVLXDUFFEIDH-UHFFFAOYSA-N 354.428 1.072 0 40 FDAB CC(C)(C)n1cc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cn1 58218912 QKXNJYIHLBEKSH-UHFFFAOYSA-N 369.469 1.717 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(Cl)c(N)c(Cl)c3)cnc21 10431278 HDSFROSNLZBYHQ-UHFFFAOYSA-N 367.196 1.658 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)NCC3CC3)CC2)c1 25088469 AAWCVUPQTXGOSJ-UHFFFAOYSA-N 365.455 1.315 0 40 FDAB O=C1O[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)Cc2ccccc21 28694612 SCFGJYNABKUOMD-GOSISDBHSA-N 351.406 1.508 0 40 FDAB COCc1nnc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)s1 72401910 WCGURBYTHBZQMD-UHFFFAOYSA-N 361.383 1.047 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1F 11591533 OSEPAAVLFFLBHN-LJQANCHMSA-N 369.352 1.994 0 40 FDAB COc1ccc(CCN2C(=O)C[C@H](NNc3ccccc3)C2=O)cc1OC 101127999 IUNPOVPWQARATB-INIZCTEOSA-N 369.421 1.991 0 40 FDAB C[C@H](C(=O)NCc1ccccn1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957104 RBPRISXXQFGUON-LLVKDONJSA-N 369.393 1.831 0 40 FDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 46346559 PQQTWTDPSDUFPY-CYBMUJFWSA-N 356.378 1.980 0 40 FDAB O=C(CNc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCOCC1 46491743 MJTOQSKJSSSNJC-UHFFFAOYSA-N 352.456 1.674 0 40 FDAB O=C(CCSc1nc2ncccn2n1)NC(=O)NCc1ccccc1 10425525 MVGIAKBIEGWLGN-UHFFFAOYSA-N 356.411 1.633 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 47024652 HVMDGXKCWLOJAA-HNNXBMFYSA-N 354.472 1.470 0 40 FDAB COCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206514 WHQQJUUGOXBHKX-UHFFFAOYSA-N 360.435 1.814 0 40 FDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1NC(=O)c2ccccc2N1 9157346 HRUXVQQZKOCPTM-BLLLJJGKSA-N 360.439 1.714 0 40 FDAB 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C[C@@](O)(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1 72285016 ZMDMNMDMAXMNPM-OXJNMPFZSA-N 359.470 1.938 0 40 FDAB O=C1CCCN1CCN1CCN(c2ccnc(-c3ccccc3)n2)CC1 95955991 JTTWYEQORKYIEP-UHFFFAOYSA-N 351.454 1.888 0 40 FDAB COCCCNC(=O)[C@H](C)N1CCN(Cc2nc3ccccc3[nH]2)CC1 89478638 JAWUJQKBFUKLLV-HNNXBMFYSA-N 359.474 1.222 0 40 FDAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 75148619 KHAOQOOXRATJIS-WDEREUQCSA-N 368.352 1.854 0 40 FDAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccccc1)CC(=O)N2 20635797 CPPJCULIPIBTKN-GFCCVEGCSA-N 352.398 1.724 0 40 FDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC(N(C)CC(=O)O)CC1 548026978 GLVZXAYDTSUOST-CQSZACIVSA-N 360.454 1.950 0 40 FDAB COC[C@H](C)NC(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 60062272 WIZYZAIXVVYVQS-QMMMGPOBSA-N 357.457 1.732 0 40 FDAB COC(=O)Cn1ncc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)c1C 526017984 BXEYKIUUKXXODR-ZDUSSCGKSA-N 359.386 1.103 0 40 FDAB COc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3cc(C)sc32)c1 32071037 YFROLXZKQQTAKM-UHFFFAOYSA-N 359.407 1.717 0 40 FDAB O=C(O)c1cn(C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)nn1 567180653 PUOVXHHGRXPRJB-UHFFFAOYSA-N 366.381 1.639 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 218344186 NKMNXJBMAUHNCF-QWHCGFSZSA-N 358.387 1.449 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCCSc1nc(-c2ccccc2)n[nH]1 225873574 UTWGXIPRMYLVQE-UHFFFAOYSA-N 373.438 1.219 0 40 FDAB Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95473369 UBLKPWCCRNKHQU-LLVKDONJSA-N 355.373 1.710 0 40 FDAB CC(C)(C)CC(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244207 OHLRUWRDNWWUIM-FQEVSTJZSA-N 374.485 1.750 0 40 FDAB COc1cc(N2CCC[C@@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)ncn1 96223131 SPETZSWJLFCJHH-RDTXWAMCSA-N 356.430 1.824 0 40 FDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1scnc1C)CC2 248058120 UZSDEXJKRYGCIT-CYBMUJFWSA-N 363.487 1.530 0 40 FDAB CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2(C)C)ccc1C 585080379 DCDNIHRRZJLLRE-AWEZNQCLSA-N 353.444 1.289 0 40 FDAB COc1ccc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1Cl 257263240 LOZSBVOUUFGLGQ-RDJZCZTQSA-N 354.834 1.903 0 40 FDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257329950 XMDPUUCAJGPLAG-KRWDZBQOSA-N 355.442 1.520 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@]1(O)CCN(c2ncccn2)C1 257265910 MAWFSBUFEPEBAL-FQEVSTJZSA-N 352.438 1.265 0 40 FDAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C)[C@@H](O)[C@H]2O1 604381776 NXOVXIJGDJJRBJ-PNDFQMOFSA-N 362.470 1.287 0 40 FDAB biogenic,in-vitro Cc1ccn(CCC(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)n1 257326255 WWMKEXVDNKHQKC-LJQANCHMSA-N 357.458 1.467 0 40 FDAB Cc1ccc(-n2c(CC(=O)O)cn3c4c(O)nc(=O)n(C)c4nc23)cc1C 618254931 KEAOWLNAVQAMEJ-UHFFFAOYSA-N 367.365 1.321 0 40 FDAB NC1(CNC(=O)c2ccc(C(=O)O)cn2)CCN(Cc2ccccc2)CC1 656854428 UCORUQQWQJOZCY-UHFFFAOYSA-N 368.437 1.503 0 40 FDAB COCCn1cc2c(n1)[C@H](NC(=O)N1CC[C@@H](O)C(F)(F)C1)CCC2 606444941 RRVAQFRMLDVELB-CHWSQXEVSA-N 358.389 1.318 0 40 FDAB Cc1ncncc1C(=O)N(C)[C@H]1CCCN(C(=O)COCC(F)F)C1 1615612433 YGTWAOMIANGNPL-LBPRGKRZSA-N 356.373 1.130 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@](O)(CCC(=O)N(C)C)C1 585289086 DHIXORVQIAAXJY-IHHMQQGQSA-N 362.474 1.272 0 40 FDAB O=C1CN(C2CN(C(=O)CCc3ccc(C(F)(F)F)cc3)C2)CCN1 1180915667 ICSSBOSDJFGOHT-UHFFFAOYSA-N 355.360 1.281 0 40 FDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 40092639 AXAONOXODSNNMZ-UHFFFAOYSA-N 364.409 1.102 0 40 FDAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 12647763 IQIWZKQJPSSTRD-UHFFFAOYSA-N 355.398 1.467 0 40 FDAB CC(=O)N1CCN(c2cc(CCNC(=O)C3CCC3)nc(C3CC3)n2)CC1 19017841 OMESCTXHWZXGRZ-UHFFFAOYSA-N 371.485 1.481 0 40 FDAB COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 19171758 JEJFYSPDACMZPU-KSZLIROESA-N 351.406 1.740 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(-c3ccccn3)n2)cc1C 19214337 PSORBCVPRRAGAU-UHFFFAOYSA-N 370.434 1.927 0 40 FDAB COc1ccc(OC)c([C@@H](O)CN2CCO[C@@H](CN3CCCCC3)C2)c1 19551186 VIHIOBGECPYAES-HKUYNNGSSA-N 364.486 1.924 0 40 FDAB COc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 19572149 XQYVZVCHHNVUNB-CEXWTWQISA-N 354.454 1.347 0 40 FDAB Cc1c([C@@H](C)NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cnn1C 19715363 UURAYJPSXDQBOW-BJCXPLBRSA-N 361.446 1.406 0 40 FDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccc(F)cc21 161820542 QDLYFPLWXFMRKI-GDBMZVCRSA-N 354.447 1.438 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 206651496 KWZJYHOLNHSDHI-LUVWLHFXSA-N 370.405 1.508 0 40 FDAB CC(=O)CSc1nc(C2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4341303 LKYGVBUXXKZSFO-UHFFFAOYSA-N 362.455 1.756 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O 8844916 NSLGVXTUSXWZRD-HXPMCKFVSA-N 373.409 1.897 0 40 FDAB CC(C)(NS(=O)(=O)c1cnn2c1OCCC2)C(=O)Nc1ccccc1 668118387 HLECLECDSWLNFU-UHFFFAOYSA-N 364.427 1.361 0 40 FDAB O=C1CC[C@@H](C(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)CN1 390832207 YAGYOKPRVLTMPS-OAHLLOKOSA-N 364.467 1.119 0 40 FDAB Cc1nc(N2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)nc(O)c1F 1888847516 OIMNJTAPQPYRJS-QWRGUYRKSA-N 356.348 1.570 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5cscn5)C[C@H]4C3)ncnc21 1888904190 OBKGDWRCOPTADF-TXEJJXNPSA-N 369.454 1.511 0 40 FDAB 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O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N[C@H]1CCSC1=O 49026317 KTSJUSANMNJIFF-LBPRGKRZSA-N 355.366 1.355 0 40 FDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccn(C)c(=O)c3)cn2)C[C@@H](C)O1 40110402 PSTMOKQHEUYKIR-OKILXGFUSA-N 356.426 1.324 0 40 FDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F 20732402 QQPJQDAQOBBDAK-HNNXBMFYSA-N 350.325 1.518 0 40 FDAB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1 101499918 OJUOIEXQEYNWDV-DOTOQJQBSA-N 352.346 1.996 0 40 FDAB O=C(NC1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)c1ccccc1 102685543 JROOJWCMTDDZCR-ROUUACIJSA-N 367.449 1.790 0 40 FDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 52966436 QIKZLDYZHUTPLZ-CQSZACIVSA-N 357.385 1.934 0 40 FDAB CC(C)N1CCC(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 53134061 PAWCNOVRJGEIMV-KRWDZBQOSA-N 372.513 1.991 0 40 FDAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 677972 STXDRFLFITVMBT-UHFFFAOYSA-N 367.383 1.676 0 40 FDAB O=C(CNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 42109069 KIDRRSOGVGDCIK-MRVPVSSYSA-N 371.768 1.469 0 40 FDAB COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 783833 OWWPJGVFNRMTCQ-HXUWFJFHSA-N 353.374 1.975 0 40 FDAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1 12599267 WZYHVCXEMPEUCG-UHFFFAOYSA-N 371.393 1.967 0 40 FDAB C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 12551474 QFSCHXJBSAARQX-QWRGUYRKSA-N 353.469 1.660 0 40 FDAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)c1 23466405 HDXZWGZDWCCEND-KRWDZBQOSA-N 372.421 1.680 0 40 FDAB Cc1csc(=O)n1CCCC(=O)N1CCN(C(=O)c2ccccc2)CC1 23536106 BHFLSHHPVHIQFB-UHFFFAOYSA-N 373.478 1.983 0 40 FDAB CC(=O)O[C@H]1CO[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403705 LHFOAGYPATWZGW-BSDSXHPESA-N 366.366 1.355 0 40 FDAB CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 24747103 AWSFNCBTUPJYKA-CYBMUJFWSA-N 359.426 1.369 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(N2CCCCC2)c1 55368172 AAOFXICLYXVJNI-UHFFFAOYSA-N 356.426 1.933 0 40 FDAB CC(C)C[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCCC1 24990257 NGZWQQBQQQKYCZ-OAHLLOKOSA-N 368.503 1.966 0 40 FDAB C[C@@H](NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)O 6681680 AGGYNAOMOXGEGS-SECBINFHSA-N 354.409 1.752 0 40 FDAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCC(=O)N2 24971804 RKUYZOJQIUVSTP-NSHDSACASA-N 372.381 1.979 0 40 FDAB COc1ccc2sc(N3C[C@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)nc2c1 101353541 ZTKYSQQEFVALOZ-DAWNXDAASA-N 358.375 1.676 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 8345906 QOBSFJZDBUAPOR-UHFFFAOYSA-N 366.361 1.876 0 40 FDAB C[C@@H]1Oc2c(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cccc2[C@@H]1C 35307989 FLGMNZNRQOXBMC-CVEARBPZSA-N 371.481 1.951 0 40 FDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1OC 12732693 PPMXVBOHHFTFJD-INIZCTEOSA-N 364.442 1.536 0 40 FDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1C 12762556 DPSZYOYEZSIAAK-UHFFFAOYSA-N 366.418 1.014 0 40 FDAB CN(CC(=O)NCC1(c2ccc(F)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 58364609 RGZABVPJJUWFDD-INIZCTEOSA-N 368.474 1.483 0 40 FDAB CCC(=O)N1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 48344810 OYUFIFGLGCWSNX-UHFFFAOYSA-N 356.444 1.337 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CSCN3C(C)=O)c2)n1 48356555 JYWKIIAQAMFDEF-HNNXBMFYSA-N 372.450 1.859 0 40 FDAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 36359610 RMIGEHFZWVGYKA-HNNXBMFYSA-N 367.405 1.928 0 40 FDAB CCn1c(SCc2cc(=O)n(C)c(=O)n2C)nc2ccccc2c1=O 11318290 SZQDUEXIDJOBTA-UHFFFAOYSA-N 358.423 1.106 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 12887110 NCQLLKJRHWETON-UHFFFAOYSA-N 373.453 1.991 0 40 FDAB Cc1cccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)c1C 113962676 HPFFOGYCXSXGIW-UHFFFAOYSA-N 367.515 1.624 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)c2ccc(-n3cnnn3)cc2)n1 12321198 PZPFXQFZFIMKKL-UHFFFAOYSA-N 358.383 1.477 0 40 FDAB CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 13265635 IRZWQQORPUZMTO-UHFFFAOYSA-N 364.379 1.554 0 40 FDAB O=C(O)CCCCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O 49544456 VHUAWZJVIYFITF-UHFFFAOYSA-N 361.373 1.811 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13688372 GTXXFIWVDVFIOM-STQMWFEESA-N 367.471 1.030 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCCn1nnc2ccccc2c1=O 5204023 IZRDWGQKBHUULP-UHFFFAOYSA-N 366.377 1.997 0 40 FDAB COC(=O)CNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 9365527 CTUHQFAJBFBWAC-JTQLQIEISA-N 362.329 1.798 0 40 FDAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CC(N)=O)C(=O)O 408974880 HWQCWNMPKZBGHN-JTQLQIEISA-N 351.746 1.362 0 40 FDAB CCOC(=O)c1cc(-c2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2C 6649937 RKRXDPSHOZBNDC-UHFFFAOYSA-N 369.377 1.485 0 40 FDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1F)N1CCOCC1 66935955 SCDRXQBKTJULBD-ZDUSSCGKSA-N 374.409 1.367 0 40 FDAB Nc1c(C(=O)Nc2ccccc2F)nnn1CC(=O)Nc1ccccc1 4971777 GIPBOFVVKSEQBV-UHFFFAOYSA-N 354.345 1.890 0 40 FDAB COc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)n[nH]2)cc1 15679245 ZQZCIFFISSCFPL-UHFFFAOYSA-N 364.409 1.838 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2ccc(F)cc2)c(=O)[nH]c1=O 7814331 KEJZFANPPYOBQA-UHFFFAOYSA-N 362.405 1.654 0 40 FDAB O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CCN(CC2CCCC2)C1 81293869 SWZJMOCERPQSEX-OAHLLOKOSA-N 370.457 1.840 0 40 FDAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)cc1 8326927 ZQVJFTQZVYPBPV-CWTRNNRKSA-N 359.426 1.605 0 40 FDAB Cc1n[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1C 70829623 WIEFLTCIFGBTNR-LBPRGKRZSA-N 355.316 1.869 0 40 FDAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(C(=O)C2CC2)CC1 8936267 PSRPINPFAAMSNH-UHFFFAOYSA-N 355.438 1.898 0 40 FDAB CN(Cc1cccn1C)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 97015254 SGNBFFSTVFLDNH-LJQANCHMSA-N 354.410 1.451 0 40 FDAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC(N)=O 9952615 UKYAFWVYNLQHOR-SSDOTTSWSA-N 357.486 1.930 0 40 FDAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(C)CC3)nn1C)C2 31809394 LVFSDMTYQWBHLN-UHFFFAOYSA-N 356.426 1.396 0 40 FDAB COC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)c1 524734200 HEIJROCNFXZQMB-CQSZACIVSA-N 357.362 1.687 0 40 FDAB Cc1c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cnn1C 36614669 KITWKYJOVWMRIR-INIZCTEOSA-N 364.471 1.080 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)Cc1cn(C)nc1C 72334184 CSWWDPZNWHTSKW-VIFPVBQESA-N 357.457 1.486 0 40 FDAB Cc1cccc(CN2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)c1 44913701 MDHYXQGWHLQKJY-UHFFFAOYSA-N 372.557 1.961 0 40 FDAB O=C(c1nnn(-c2ccc(Cl)cc2)n1)N1CCN(C(=O)C2CC2)CC1 75163676 ARRSZBDHAPPUMC-UHFFFAOYSA-N 360.805 1.010 0 40 FDAB CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 40103164 DUCLBIILSJGYQE-UHFFFAOYSA-N 356.373 1.574 0 40 FDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(Br)c1 48991495 XCYRLBHYGKXTRT-UHFFFAOYSA-N 360.189 1.760 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)N1CCOCC1 225202863 ANKZEEIANDQJDS-ZDUSSCGKSA-N 370.471 1.490 0 40 FDAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCC3)CC2)O1 96243623 BLKTXNULZNPSEP-INIZCTEOSA-N 372.469 1.426 0 40 FDAB CCc1cnc(N2CCO[C@@H]3CN(c4ccc(C)nn4)CC[C@@H]3C2)nc1 96082375 RNPRMPBTNLPIIF-IAGOWNOFSA-N 354.458 1.869 0 40 FDAB CN1C[C@@H](C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1=O 90607586 SKLKWDLDCPYRQW-NSHDSACASA-N 371.359 1.949 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2ccccc2OCc2nnnn2C)CC1 96101391 VXNCWLOXIULZFQ-UHFFFAOYSA-N 373.413 1.204 0 40 FDAB CC(C)CCN1[C@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143260 XDCSAUOFPFPSPA-INIZCTEOSA-N 372.512 1.598 0 40 FDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCCc1nc2ccccc2[nH]1 96345137 XBNTVAAMRWMYEE-UHFFFAOYSA-N 365.437 1.747 0 40 FDAB O=C(c1cccnc1)N1CCOC2(CCN(Cc3ccccn3)CC2)C1 96158942 RRTSVLUMYMDMHX-UHFFFAOYSA-N 352.438 1.984 0 40 FDAB O=C1CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 242390203 AEBCRLXBHYROOD-RTBURBONSA-N 370.474 1.697 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)s1 245227120 AVMPQSVJOPOXAL-OBVHKMOISA-N 358.423 1.092 0 40 FDAB CC(C)N1CC2(CN(C(=O)c3ccc(Cl)cc3)C[C@@H]3COCCN32)C1 604381738 MHMPEIFKUZJGAK-QGZVFWFLSA-N 363.889 1.959 0 40 FDAB biogenic,in-vitro CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1 257329427 XJYWFSZBSBVJGO-GOSISDBHSA-N 355.442 1.964 0 40 FDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)c1ccncc1)C2 257202713 AMZRMYCKOQSMAO-SBHAEUEKSA-N 364.449 1.763 0 40 FDAB Cc1cc(-c2ccnn2C)nc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 257205710 BAHWNMQKIPZKNI-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 257324236 WNTVDESVFXCBLQ-INIZCTEOSA-N 360.435 1.598 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257277741 NZEQJNOXXBSASK-KRWDZBQOSA-N 357.458 1.641 0 40 FDAB C[C@@H](NC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1nncn1C 267316766 DIOZNCMCFGQEPJ-LLVKDONJSA-N 350.373 1.686 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC(F)(F)C1 675681161 WSLZTJRJAHKXIU-VHSXEESVSA-N 350.362 1.797 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cn1 1775969963 USWWKZOQQJSXCS-GFCCVEGCSA-N 353.425 1.754 0 40 FDAB Cc1cccc(C(=O)N2CC3(C2)CN(C)[C@@H](C(=O)NC2CCCC2)CO3)c1 575404795 QASHTGWQDIMNAN-GOSISDBHSA-N 371.481 1.579 0 40 FDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@H](C)C2 585098525 UPARZMPLZNHWFO-CYBMUJFWSA-N 350.444 1.368 0 40 FDAB CCCNC(=O)CN1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 48303864 AMDFGLCBCZSIKN-UHFFFAOYSA-N 353.854 1.236 0 40 FDAB Cc1ccccc1N1CCC(O)(CN2C[C@@H]3CCCN3C[C@@H]2CCO)CC1 1615190286 GMPVIBYKJAMMCT-PMACEKPBSA-N 373.541 1.857 0 40 FDAB O=C(COC[C@H]1CCCO1)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253895 CLMDEAXSOUJAMV-QGZVFWFLSA-N 373.453 1.585 0 40 FDAB COc1ccccc1CN(C)C(=O)CCc1c(C)nc2nc(N)nn2c1C 12945659 IIRCQUQDYKRJSY-UHFFFAOYSA-N 368.441 1.923 0 40 FDAB COc1cc(C(=O)NC(=S)NCc2ccncc2)cc(OC)c1OC 13281647 XZXLFIJWCLRXFU-UHFFFAOYSA-N 361.423 1.912 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1ccc3c(c1)C[C@H](C)O3)CC2 19286396 CGWZTTZDQWERSM-ZDUSSCGKSA-N 367.449 1.962 0 40 FDAB COc1cc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)ccn1 19550301 UGXRSMOSABTGKV-HNNXBMFYSA-N 369.425 1.352 0 40 FDAB O=C(NCC1CC1)c1ccc(C2CCN(C(=O)Cn3cncn3)CC2)nc1 19705859 XHUFTKJIHRJMPQ-UHFFFAOYSA-N 368.441 1.219 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1ccc(OCCN2CCCC2=O)cc1 19716633 WZBORGSPMAMRIK-INIZCTEOSA-N 359.426 1.038 0 40 FDAB CCc1cc(CNC(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)on1 19751489 BIANNECOBJWYGE-UHFFFAOYSA-N 372.425 1.388 0 40 FDAB N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)O 19765773 JUHAVNXIAQKYKZ-WPRPVWTQSA-N 373.228 1.226 0 40 FDAB COc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)on1 548680946 KADWKRFXFPXXNR-RYUDHWBXSA-N 352.366 1.664 0 40 FDAB COC(=O)CCc1c(C)nc2c(c(C)nn2[C@H]2CCS(=O)(=O)C2)c1C 16850733 LFADPKUAMAJHKP-ZDUSSCGKSA-N 365.455 1.822 0 40 FDAB CC(=O)N1CN([C@H]2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1 19879487 UBVHITAVWXTSJQ-LBPRGKRZSA-N 354.497 1.940 0 40 FDAB CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3F)c2c1 5457424 QQLSUEJFSBWLAB-UHFFFAOYSA-N 350.375 1.450 0 40 FDAB CC(C)n1ncc2c(C(=O)NCCN3CCOCC3)cc(C3CC3)nc21 23989888 JTTZAZGPCGRZRD-UHFFFAOYSA-N 357.458 1.952 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1=O 1565553244 QCBAKVUDOYMAQD-GHTZIAJQSA-N 367.449 1.801 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c1 2710919 KHCCSPPWDHLLAM-UWVGGRQHSA-N 352.412 1.521 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C1 12236093 BAGSSCFTJVEGKU-VXGBXAGGSA-N 351.428 1.082 0 40 FDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccccn2)CN3)cc1C 12462282 QPPACNDVFIQGLS-UHFFFAOYSA-N 363.421 1.923 0 40 FDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2)C1 2055771958 MMOVQHYAQDMFTI-QGZVFWFLSA-N 362.455 1.151 0 40 FDAB COc1cccc(CN2CC[C@H]3C[C@@H](C(=O)N4CCN(C)CC4)O[C@@H]3C2)c1 2055729706 AITBXKZRPWFPOS-YSIASYRMSA-N 373.497 1.449 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cccs2)CC1 2055772968 DMKAJLXQNIERMJ-UHFFFAOYSA-N 362.455 1.339 0 40 FDAB O=C(c1nc[nH]n1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775970280 ACLVRWAFLIUCJO-UHFFFAOYSA-N 353.361 1.363 0 40 FDAB O=C(NCc1cccs1)C(=O)NCC1CCN([C@H]2CCSC2)CC1 225574704 HYZBPKHVEXEQLK-AWEZNQCLSA-N 367.540 1.698 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)CC1 44225750 VQVJBCTVSHEPMV-GFCCVEGCSA-N 373.413 1.090 0 40 FDAB COC(=O)c1ccc(Cn2nc3ccc(-c4ccccc4)nn3c2=O)o1 49399379 DLXJCSNFNMTYCY-UHFFFAOYSA-N 350.334 1.986 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H](c1ccco1)n1cccn1 575613445 HOOSUUKIBSAGOS-CQSZACIVSA-N 352.350 1.790 0 40 FDAB Cn1cnc2c(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298047898 RUINLESLUWUGOO-LBPRGKRZSA-N 364.400 1.837 0 40 FDAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(c2ncccn2)CC1 40013723 JUNWDHBAGABIOH-INIZCTEOSA-N 368.437 1.997 0 40 FDAB C/C(NCCCn1ccnc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20289408 FXJMELPZPKLGBM-JQIJEIRASA-N 367.409 1.728 0 40 FDAB Cc1nc(C)c2c(C)c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)sc2n1 32754706 IDOVEVYRCMUFOH-OAHLLOKOSA-N 353.469 1.924 0 40 FDAB COc1ccccc1[C@@H](NC(=O)CN1CSCC1=O)c1nccn1C 53342458 GTEDFRVBSHAABV-MRXNPFEDSA-N 360.439 1.167 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCO2 1034650 RLZFUGVEEJGLAF-UHFFFAOYSA-N 359.359 1.485 0 40 FDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 79475420 RLVQHORCAFJPBY-UHFFFAOYSA-N 369.465 1.481 0 40 FDAB CCOc1ccc(CO[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2[C@H](O)CO)cc1 4093783 WHHIIMRGPWDFLO-NRKLIOEPSA-N 354.399 1.200 0 40 FDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCN(C(C)C)C(C)C 7814825 WBCZIXLISKTIPE-UHFFFAOYSA-N 357.476 1.191 0 40 FDAB O=C(CN1CCN(Cc2ccccc2F)CC1)NC(=O)NCc1ccco1 25412565 ILGMYOKPLPCHSW-UHFFFAOYSA-N 374.416 1.562 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCCC[C@@H]1C 105332561 JUGPPZMJVOASHL-XEZPLFJOSA-N 372.421 1.909 0 40 FDAB COc1ccc(C(N)=O)c(O[C@@H](C)C(=O)NCc2ccccc2OC)c1 48263068 CQQYPHAAWAMURQ-LBPRGKRZSA-N 358.394 1.886 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 55233029 GSZRJBSDWYVEQV-INIZCTEOSA-N 362.474 1.067 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCOC1 58181121 IZZBOYYXJVBRBS-ZDUSSCGKSA-N 368.455 1.845 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1 58192831 CEGSXEBRXKMSGW-YVEFUNNKSA-N 351.424 1.317 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100420592 ZZJUGYVSAAZSHH-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2ccnc2)nn1 58218787 BTNTWZPSBPPRSW-UHFFFAOYSA-N 369.381 1.618 0 40 FDAB CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)cn1 100769067 UVZFODHDNVIDNR-HUUCEWRRSA-N 368.503 1.024 0 40 FDAB Cc1cc(=O)n2nc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)sc2n1 48310860 ZEYMFWJAMLZCQO-RYUDHWBXSA-N 351.476 1.759 0 40 FDAB CCN(CC)CCN[C@@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)O 22791696 NITIRPZRAIGCCT-HNNXBMFYSA-N 367.446 1.417 0 40 FDAB O=C(CCNC(=O)N1CCCN(Cc2ccccc2)CC1)N1CCOCC1 45482077 BRYHRTKPOABACB-UHFFFAOYSA-N 374.485 1.153 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 103038258 ZIYXDQCJKYWMLA-GASCZTMLSA-N 355.394 1.326 0 40 FDAB CCCCOC(=O)CSc1nnc(-c2ccco2)n1CCC(N)=O 22523875 RUCVGLAMEKPFFY-UHFFFAOYSA-N 352.416 1.849 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ccnc1C 29937758 MAZRBRLXTVEUSZ-UHFFFAOYSA-N 352.416 1.089 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCOc2ccc(F)cc2)CC1 24864184 PSSDOLFGEUHZJL-UHFFFAOYSA-N 358.435 1.525 0 40 FDAB Cn1cccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 2635163 YKAVFUCHQSEAGW-FNORWQNLSA-N 356.334 1.267 0 40 FDAB CC(C)Cn1c(N)c(-c2csc(N3CCCCC3)n2)c(=O)n(C)c1=O 13006127 PHVLSJWSSHIKOT-UHFFFAOYSA-N 363.487 1.899 0 40 FDAB COC(=O)c1sc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c(C(=O)OC)c1C 6084224 JCWRKABRZHHNKZ-CBAPKCEASA-N 369.395 1.767 0 40 FDAB COc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N(C)OC 14095037 FIPFCWDXKXTSPS-UHFFFAOYSA-N 365.411 1.833 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 14013834 CCLCPJNJUJOLCX-LAPQFRIASA-N 371.437 1.721 0 40 FDAB O=C(NC1CCOCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 67208490 UZUPTOXIBNOWGT-SJORKVTESA-N 369.421 1.556 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 71793588 FDWZWOVJSOAZOJ-AWEZNQCLSA-N 352.504 1.786 0 40 FDAB O=S(=O)(N1CCC(C2OCCO2)CC1)N1CCc2ccccc2C1 84582006 BRUWBPKESVXZSO-UHFFFAOYSA-N 352.456 1.374 0 40 FDAB Cc1nnc(S(=O)(=O)CCN2CCOC2=O)n1CCc1cccs1 69884821 FBXALJMLUODMTA-UHFFFAOYSA-N 370.456 1.117 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1 8778937 KFEDTVBIODJUTL-UHFFFAOYSA-N 361.423 1.423 0 40 FDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 8718490 SSDLMSVVPZCSMG-SECBINFHSA-N 357.906 1.989 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 19296746 YQZDFLSTHLWUSI-QGZVFWFLSA-N 358.402 1.449 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 8982122 CGBKZVMHQWAQOI-UHFFFAOYSA-N 365.411 1.289 0 40 FDAB CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)N(C)C1CCCCC1)CC2 97020677 MSOXWLLJIMUEMR-HOTGVXAUSA-N 360.520 1.748 0 40 FDAB CC1(COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)COC1 95966272 DLLKDEIIGJKJPW-UHFFFAOYSA-N 367.467 1.983 0 40 FDAB Cn1cc(CN2C[C@@H]3C[C@@]4(CCN(Cc5ccccc5)C4=O)[C@H](C2)O3)cn1 306131852 KQVUFACOUREFSM-ZJOUEHCJSA-N 366.465 1.812 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)c1sccc1S(N)(=O)=O 24993338 IGWNSPUSMWWIGU-UHFFFAOYSA-N 364.452 1.484 0 40 FDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)c1 306132295 LEIAVRMRMFPVJY-HNNXBMFYSA-N 356.426 1.653 0 40 FDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(F)cc1 409027855 HXQQZDOSDQSCRD-UHFFFAOYSA-N 365.386 1.329 0 40 FDAB CCCCNC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316644 FPYWLXMKGSBDFL-UHFFFAOYSA-N 361.417 1.809 0 40 FDAB C[C@@H](NC(=O)c1coc(CS(C)(=O)=O)n1)c1ccc2nc(O)oc2c1 1557755903 URISYDZCEKTMST-MRVPVSSYSA-N 365.367 1.557 0 40 FDAB CC(=O)c1cn(CC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)nn1 514711803 IJGTVQWAKZWVSN-JFIYKMOQSA-N 354.410 1.512 0 40 FDAB CNC(=O)c1cccc(NC(=O)c2c(-n3cnnn3)sc(C)c2C)c1 524735628 OOYBOLKXKMJLLW-UHFFFAOYSA-N 356.411 1.953 0 40 FDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cscn1)CC2 72347107 SVKVMALDKKNIKK-UHFFFAOYSA-N 357.439 1.740 0 40 FDAB COC(=O)c1cc(I)ccc1CN1CCOCC1 39951651 VUPDTFPQUVCMLK-UHFFFAOYSA-N 361.179 1.910 0 40 FDAB COC(=O)[C@@H](O)c1c(C)nc2c(ccn2C)c1I 218427629 VIBVHIHAFMAAHF-JTQLQIEISA-N 360.151 1.693 0 40 FDAB COc1ccc(SCC(=O)NCCCN2CCN(C)CC2)cc1OC 216422277 KAIYDTQJTVYZRD-UHFFFAOYSA-N 367.515 1.550 0 40 FDAB O=c1n(Cn2nnc3ccccc32)nc2n1-c1ccccc1C1=NCCCN12 72342160 PQVVDHWGSCWPPB-UHFFFAOYSA-N 372.392 1.255 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1NN 72210873 OYELXHWFSBNWDK-UHFFFAOYSA-N 371.260 1.950 0 40 FDAB CC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 45947489 BGFHQFRZPMTRKI-QGZVFWFLSA-N 350.378 1.948 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)Cc1ccsc1)CC2 96254803 SUXVUSHYDQTWJK-UHFFFAOYSA-N 372.494 1.853 0 40 FDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC)c1ccccc1O2 96053298 FTPHPRHVJKRIQR-CQSZACIVSA-N 366.483 1.873 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96263464 ROTXVURFZOBUOO-UHFFFAOYSA-N 350.440 1.376 0 40 FDAB Cc1cc(O)c([C@@H](CC(=O)O)c2c(C)nn(CCC(=O)O)c2C)c(=O)[nH]1 95475798 AVEABIPJUMTBLB-NSHDSACASA-N 363.370 1.284 0 40 FDAB CO[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96207957 UIQLKBBKQPAMHC-KSZLIROESA-N 355.442 1.177 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccncc3)C2)CN1c1cccnc1 96051347 OWXWNQRDQMEHAK-IBGZPJMESA-N 354.410 1.111 0 40 FDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)O1 96063320 GDWPPCIFNVAPOD-PKOBYXMFSA-N 350.434 1.706 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCSCC1)C=C2 96231970 WLSGHNWFRIMHGI-UHFFFAOYSA-N 362.451 1.635 0 40 FDAB COC[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCN(Cc1ccco1)CC2 247881847 QEIHKCGGURYOMX-HNNXBMFYSA-N 368.499 1.932 0 40 FDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 247805460 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5809641 NGTIFJDPPBHRMW-ZIFCJYIRSA-N 374.345 1.330 0 40 FDAB COc1ncc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cn1 19129391 LQQWHSIQKGLBTD-CQSZACIVSA-N 353.430 1.798 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@@H]1CN1CCOCC1 19376137 NNEWJDUGRWSPJS-OAHLLOKOSA-N 370.453 1.179 0 40 FDAB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500705 NLDPJKAUWOWACW-MRHIQRDNSA-N 350.802 1.537 0 40 FDAB COCCn1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 19594031 PZRICPOVFIILCO-AWEZNQCLSA-N 371.363 1.760 0 40 FDAB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc2c1OCO2 6170073 XJMAMTYDTMGHTL-LFYBBSHMSA-N 370.317 1.679 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)c3ccc(=O)[nH]n3)nn2c1O 105713536 WAQUDJZCJPXDTL-AWEZNQCLSA-N 368.397 1.366 0 40 FDAB O=C(CSc1ncccn1)NC(=O)NC[C@@H]1COc2ccccc2O1 6849683 FTVLIFXTLINGPU-LLVKDONJSA-N 360.395 1.235 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)C5CC(F)(F)C5)C[C@H]4C3)nn12 1888849413 NCIYJWQYMPEWHX-CHWSQXEVSA-N 362.384 1.373 0 40 FDAB O=C([C@@H]1CCc2ccccc2O1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888856830 KHYUUKAMKOHESR-JZXOWHBKSA-N 350.422 1.765 0 40 FDAB COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1cnc2ncccc2c1=O 23400419 AUTQQRFPTJCVTD-CQSZACIVSA-N 369.377 1.443 0 40 FDAB CN(CC1(O)CCN(c2ccccc2F)CC1)[C@@]1(C)CCS(=O)(=O)C1 2037956994 MXAPKLDCVLMFPT-KRWDZBQOSA-N 370.490 1.666 0 40 FDAB O=C(Cc1cccnc1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037978229 JRBXIWDBJNVYER-NRFANRHFSA-N 365.433 1.906 0 40 FDAB CCc1ccc(C(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)cn1 1565546746 JPWDHNWKZHJIOE-JXFKEZNVSA-N 370.453 1.788 0 40 FDAB COC1(CC(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CCC1 1565545060 CSADVZMSGSDSIR-UHFFFAOYSA-N 360.458 1.811 0 40 FDAB O=C(Cn1cc(Cl)cn1)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1565552398 RWVMRZKGZXJCGO-DZGCQCFKSA-N 372.860 1.725 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@]2(OCCO)CCSC2)cc1Cl 1565519230 AJWZDPWNLVMBHO-CQSZACIVSA-N 365.904 1.811 0 40 FDAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCOCC1 4166650 MTFGRHZSRGGMKO-UHFFFAOYSA-N 374.401 1.301 0 40 FDAB COC(=O)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346919 BKNJAFKYTIGCPL-INIZCTEOSA-N 367.361 1.717 0 40 FDAB O=S(=O)(N[C@@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1 2086866022 HXQAKPMLSAJMDX-GFCCVEGCSA-N 362.459 1.052 0 40 FDAB CN(C)CCCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 19582337 KFCBASITBHQWQU-HNAYVOBHSA-N 364.490 1.159 0 40 FDAB O=C(Cc1cn2ccsc2n1)NC1CCN(C(=O)c2ccoc2)CC1 31024788 CHGFOZMZZMMNCC-UHFFFAOYSA-N 358.423 1.952 0 40 FDAB CC(=O)c1ccc(N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 20367083 WZMUIXGBRZGHRP-UHFFFAOYSA-N 359.470 1.554 0 40 FDAB Cn1cnnc1-c1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 32028538 MZATTWPSPXIEEJ-UHFFFAOYSA-N 362.393 1.774 0 40 FDAB CC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(C(C)=O)CC3)c[nH]c2c1 32093232 IOICKPIWPTVPBQ-QGZVFWFLSA-N 358.398 1.416 0 40 FDAB CCCCC[C@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21197843 WEGMQXIEZKTMTE-QWHCGFSZSA-N 357.476 1.237 0 40 FDAB c1ccc(-c2nnnn2CCOCCn2nnnc2-c2ccccc2)cc1 3073783 PCKQRRYQJKRHIT-UHFFFAOYSA-N 362.397 1.710 0 40 FDAB O=C(O[C@@H]1CCCCC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 6225089 KGRNQJKBTWTNNL-MRXNPFEDSA-N 367.423 1.376 0 40 FDAB O=C(COc1ccc(-n2cnnn2)cc1)NCCc1c[nH]c2ccccc12 8561805 XEEOJUSJWJOZMK-UHFFFAOYSA-N 362.393 1.881 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccc(C)cc2C)n1 44073013 XUZJPYYHEQQUMU-INIZCTEOSA-N 357.410 1.822 0 40 FDAB c1csc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 107739645 VLOPLKIFDCEXIE-WMZOPIPTSA-N 352.500 1.830 0 40 FDAB O=C(Cn1c(O)nc2csnc2c1=O)Nc1ccc(-n2cccn2)cc1 95442935 RTFKEJDXJQVDSS-UHFFFAOYSA-N 368.378 1.383 0 40 FDAB CC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 26911681 RNFLNSAWIZSMCI-UHFFFAOYSA-N 354.451 1.308 0 40 FDAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCC(=O)N1CCNC1=O 58191415 JSIOTZJBFWEELB-CQSZACIVSA-N 358.442 1.973 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 58180351 QNSXYIAYOIEIIM-CYBMUJFWSA-N 361.446 1.275 0 40 FDAB CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cccn3)nc2)C1 58217860 NEHOIXFBYUVCPD-OAHLLOKOSA-N 356.430 1.325 0 40 FDAB CCOc1c(Cl)cc(C(=O)N(CC)[C@H]2CC(=O)NC2=O)cc1OC 58217999 HOCOCVGRJNIOCN-NSHDSACASA-N 354.790 1.625 0 40 FDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Br)ccc1F 58218963 GLVIBBMJUPIDSN-UHFFFAOYSA-N 365.224 1.487 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1CCN(CC(=O)Nc2cccc(F)c2)CC1 22782105 ZAWHPQSXWDDZNW-OAHLLOKOSA-N 364.465 1.543 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2)cc1 10809816 YRVHCQYBUDOAIJ-UHFFFAOYSA-N 350.444 1.230 0 40 FDAB CCc1ccc(CN(C)[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 36419432 CHCAMEFPGNSABH-YOEHRIQHSA-N 352.500 1.715 0 40 FDAB CCCC[C@@H]1C[C@@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O 2345988 GZQIUADRVOTUNV-BZNIZROVSA-N 354.428 1.785 0 40 FDAB O=C(NCCCn1ccnc1)c1cc2c(=O)n3ccccc3nc2s1 2498360 OZSFKNHYPFUZKI-UHFFFAOYSA-N 353.407 1.926 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)c1cc(=O)[nH]c2ccccc12 11459278 KCBXILXHGHLZDZ-UHFFFAOYSA-N 353.359 1.955 0 40 FDAB NC(=O)CS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 46111422 MVSIDJARTFYHIZ-UHFFFAOYSA-N 355.419 1.939 0 40 FDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O 60375945 PDBXYTGWIQRKDY-ZDUSSCGKSA-N 374.260 1.802 0 40 FDAB CN(C)CCNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195326 WFZWLMPYWAAEKD-UHFFFAOYSA-N 359.879 1.561 0 40 FDAB CC(C)CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)OCO2 10384196 MGGJSCPEQWKZCX-CYBMUJFWSA-N 361.398 1.117 0 40 FDAB CCCn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)n(C)c1=O 3564428 NIDXQIJVIMBDLH-UHFFFAOYSA-N 356.426 1.175 0 40 FDAB COc1cc(CN2CC[C@@H](NC(=O)c3ccc[n+]([O-])c3)C2)cc(OC)c1 87503028 XRPCXVKMECOREC-MRXNPFEDSA-N 357.410 1.342 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O)C(=O)O 49549804 KOQNOOXYEOJXHE-XIKOKIGWSA-N 373.409 1.534 0 40 FDAB COc1ccc(NC(=O)C[C@H]2N=C(N3CCOCC3)N=C2O)c(OC)c1 13690808 OXUKTHNUBRTNLP-CYBMUJFWSA-N 362.386 1.059 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 14185569 NSBXXHICALXSDK-XJKSGUPXSA-N 354.472 1.920 0 40 FDAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O 14200247 FTAUTROYLWBVOC-ZDUSSCGKSA-N 373.409 1.782 0 40 FDAB O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1N1CCOCC1 6822228 NVMDPBQGGJZVQV-UHFFFAOYSA-N 355.847 1.648 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@@H](O)c2ccco2)CC1 27197239 LMRDLGROVIVQKD-CQSZACIVSA-N 354.403 1.459 0 40 FDAB O=C(Nc1ccc(Cl)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9549574 DWUSFDPKRHKZGR-LBPRGKRZSA-N 369.830 1.444 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[C@H]1CCOc2ccccc21 80294329 XMODVDMIOIBTJD-ROUUACIJSA-N 365.433 1.539 0 40 FDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)C2)cc1 68097596 USJFHCNIHBHKIL-SZMVWBNQSA-N 371.481 1.960 0 40 FDAB O=C(NCc1cccc(-n2cncn2)c1)N1CCC[C@H]1CN1CCOCC1 74314440 OUXXRLWLOJLTFS-SFHVURJKSA-N 370.457 1.274 0 40 FDAB COCCNC(=O)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1 35315543 NGJQSJGXOPPMEB-UHFFFAOYSA-N 362.777 1.005 0 40 FDAB CCOC(=O)[C@@H]1Cc2cc3c(cc2NC1=O)NC(=O)[C@H](C(=O)OCC)C3 3844922 FRYCXCFNPMLCOU-VXGBXAGGSA-N 360.366 1.034 0 40 FDAB biogenic CCNC(=O)c1nsc(C(=O)N2CCN(c3ccccc3)CC2)c1N 62006768 ZCPMNNFPSXHELN-UHFFFAOYSA-N 359.455 1.437 0 40 FDAB Cc1cc(CNC(=O)C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c(C)o1 70640515 DYOJTWXLSKWOIH-UHFFFAOYSA-N 367.405 1.987 0 40 FDAB O=C(NCc1nc2ccccc2[nH]1)[C@H]1COCC(=O)N1Cc1ccccc1 70641297 RHWSEJVICSNOAG-QGZVFWFLSA-N 364.405 1.607 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCCc2ccco2)cc1Cl 226686120 SBXOCUIXFADVBR-UHFFFAOYSA-N 372.830 1.579 0 40 FDAB CCCN(CC(=O)NC)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 40157574 PFNUVCAPTZBRBD-UHFFFAOYSA-N 361.471 1.527 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC)cc2OC)s1 223082186 CTLMRYXEISWORY-UHFFFAOYSA-N 372.428 1.705 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)Nc3cccc4c3OCCC4)C[C@H]2CO)cn1 570663363 MKVJRRVXUPKGDF-HOTGVXAUSA-N 356.426 1.985 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NCc2c(OC)cccc2OC)CC1 222610770 QMUZIJJBBGRUHM-UHFFFAOYSA-N 370.471 1.382 0 40 FDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1nccs1 95473031 WAFDAMRZCWCLEM-UHFFFAOYSA-N 370.434 1.537 0 40 FDAB Cn1ccnc1-c1cc(NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)n[nH]1 584418054 ZGTLKQIQMIPTNQ-UHFFFAOYSA-N 363.381 2.306 0 40 FDAB Cc1cnc(N2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)nc1 96251145 DOZGOFSMPCUEGG-DNVCBOLYSA-N 367.457 1.139 0 40 FDAB CC1(C)O[C@@H]2O[C@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245231672 HTVDMLDHTTWATO-KDEOKCCVSA-N 363.410 1.699 0 40 FDAB COc1ccccc1CC(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257335429 YKCTUUMPZWELRW-IBGZPJMESA-N 356.426 1.175 0 40 FDAB Cc1ccnc(N2CCC[C@](O)(CC(=O)N(C)C)C2)c1Br 643719277 YHCFWGWBGJDNDA-HNNXBMFYSA-N 356.264 1.962 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1263978308 GSASKNOSAJNGBW-SFHVURJKSA-N 368.437 1.571 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ccnn21 585112354 OSWCSEKRJMTDNQ-MRXNPFEDSA-N 364.471 1.388 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)N1CCCC1 35325738 ZSMPYWDZAKGMDX-UHFFFAOYSA-N 367.453 1.457 0 40 FDAB CCOC(=O)[C@@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 60292872 CHRNNVHPCSIJIG-INIZCTEOSA-N 357.410 1.731 0 40 FDAB COc1cccc(S(=O)(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c1 1549166476 FHIJKLGCHLCBAB-UHFFFAOYSA-N 352.412 1.012 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccncc3)C[C@@H]12 1549161939 RETYSDGGFWMCDC-QGZVFWFLSA-N 370.453 1.489 0 40 FDAB CCn1ncc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)c1C 1615125754 GYMKNXOJTXKOCL-FQEVSTJZSA-N 368.437 1.860 0 40 FDAB COc1ccccc1CC(=O)N1C[C@H]2CCc3c(nc(C)[nH]c3=O)[C@H]2C1 12120022 JSNYLKRUYMNGAJ-ZBFHGGJFSA-N 353.422 1.818 0 40 FDAB CCCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O 12419611 XJZNEFMSMRZHMF-AWEZNQCLSA-N 354.428 1.735 0 40 FDAB COc1cccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1 12471528 SGSLSXRCESZKTD-UHFFFAOYSA-N 359.411 1.458 0 40 FDAB Nc1cc(=O)[nH]c(SCC(=O)NCCc2ccccc2OC(F)F)n1 12598714 AIOSMCXGDSZXCO-UHFFFAOYSA-N 370.381 1.405 0 40 FDAB COc1ccccc1C1(CNC(=O)C(=O)Nc2cc(C)on2)CCOCC1 16975537 DVSROKHBQPBSHO-UHFFFAOYSA-N 373.409 1.795 0 40 FDAB COCc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)o1 19594502 MUXIRITXUZVZPM-UHFFFAOYSA-N 367.409 1.567 0 40 FDAB Cc1ccc(-n2cc(CN3CCC4(CC3)NC(=O)N(C)C4=O)cn2)cc1 19715467 MLQMTMKSCFKUPY-UHFFFAOYSA-N 353.426 1.697 0 40 FDAB O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCC[C@@](O)(Cn2ccnn2)C1 648897328 WLCGXCUJQRGKQW-SFHVURJKSA-N 370.388 1.270 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 4195276 LIQDQPQJDAERBX-CYBMUJFWSA-N 352.460 1.182 0 40 FDAB O=C(CSc1ncn[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5736722 NDXUFTWXIQLPCN-GFCCVEGCSA-N 352.441 1.117 0 40 FDAB CSc1nc2c(c(N3CCN(Cc4ccn(C)c(=O)c4)CC3)n1)CCC2 1888857185 FFBNAIPRNFYXPV-UHFFFAOYSA-N 371.510 1.708 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn(C)cn5)C[C@@H]4C3)n1)CCC2 1888866316 YDFVTASWTDVEDJ-KBPBESRZSA-N 352.442 1.216 0 40 FDAB COCCN1C(=O)CN(C2CCN(c3nc4ccccc4o3)CC2)C1=O 1888870063 GENJUDOQOUXGTB-UHFFFAOYSA-N 358.398 1.707 0 40 FDAB COc1cnc(OC2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 1889078120 ZHWKMVMUDHRCGB-ZDUSSCGKSA-N 374.363 1.492 0 40 FDAB Cc1ncnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c1C 1889085211 CIMJVSVPCKJPII-UHFFFAOYSA-N 355.446 1.047 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 4965722 VWCPAIMSKGZPHN-UHFFFAOYSA-N 356.201 1.744 0 40 FDAB Cc1noc(CCCNC(=O)c2ccc(OCC3CCOCC3)nc2)n1 244986287 JOCANEFYGMSLOF-UHFFFAOYSA-N 360.414 1.941 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)N1CCCCCC1 5056611 ZGZNFDICUPYWTK-UHFFFAOYSA-N 370.388 1.519 0 40 FDAB COc1cc(CN2CCC[C@@](C(=O)N(C)C)(n3ccnc3)C2)cc(OC)c1 2055771866 FMPGZAMBYPQUTM-HXUWFJFHSA-N 372.469 1.980 0 40 FDAB CC(C)n1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(C)nc12 23126238 GSXCZZKMYGTZMQ-UHFFFAOYSA-N 369.425 1.601 0 40 FDAB Cc1ccc(C(=O)N2CC[C@H](c3nn(CCN)c4nccnc34)C2)s1 19216823 HXFQUYKKSZBBTF-LBPRGKRZSA-N 356.455 1.785 0 40 FDAB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 96222887 FSKUKYUFPMNTBI-ZDUSSCGKSA-N 361.350 1.348 0 40 FDAB biogenic COC[C@@H](C)NC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 40071659 LNTQFITYSDHLDQ-MRXNPFEDSA-N 373.497 1.434 0 40 FDAB Cc1nc(S)sc1CC(=O)N1CCN(C(=O)N2CCCC2)CC1 40051911 LEFRAGYQPYUQKR-UHFFFAOYSA-N 354.501 1.643 0 40 FDAB COC[C@H](C)NC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 40071658 LNTQFITYSDHLDQ-INIZCTEOSA-N 373.497 1.434 0 40 FDAB O=C(Nc1ccccc1N1CCCC1=O)N1CCN(c2cnccn2)CC1 40104191 IQJWNXCBWABFRA-UHFFFAOYSA-N 366.425 1.958 0 40 FDAB NC(=O)[C@H]1CC(C(=O)Nc2nc3c(s2)CCC3)=NN1c1ccccc1 30692137 VMCBRXJZMOWKBI-CYBMUJFWSA-N 355.423 1.691 0 40 FDAB CCCc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40288091 YSCPAIXWOSHALE-QGZVFWFLSA-N 371.422 1.696 0 40 FDAB Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)c(=O)[nH]1 31370847 AFFUQCWOGUEPHI-SECBINFHSA-N 356.382 1.138 0 40 FDAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC(=O)NCC(=O)O 20730788 MFUAYDICAONZQO-UHFFFAOYSA-N 367.814 1.703 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 102085574 ZJTNIJBTGKXQIH-SYWGBEHUSA-N 359.353 1.583 0 40 FDAB COc1ccc(C)cc1NC(=O)CNC(=O)CCNC(=O)OC(C)(C)C 32754009 KCFKFWRLKHVTCB-UHFFFAOYSA-N 365.430 1.973 0 40 FDAB Cc1cc(C)cc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 102610075 UGBGUAQVWHZEJX-BTAUDXDXSA-N 358.394 1.264 0 40 FDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCCC2)CC1 22930615 JGIHLUDQVZRYIC-OAHLLOKOSA-N 362.449 1.393 0 40 FDAB COc1cc(CNS(=O)(=O)c2c(C)noc2C)cc(OC)c1OC 1046464 LHLCJHJOLBJYGN-UHFFFAOYSA-N 356.400 1.796 0 40 FDAB Cc1n[nH]c(C(N)=O)c1NS(=O)(=O)c1cc(Cl)sc1Cl 78601486 SNXLBTCJOGFTIL-UHFFFAOYSA-N 355.228 1.986 0 40 FDAB COc1ccccc1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 23883048 OASATRWLFFTXKM-UHFFFAOYSA-N 367.413 1.061 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4008914 XYZJRDWLOIGRFN-IMNPFHOJSA-N 355.390 1.832 0 40 FDAB COc1ccc(NC(=O)[C@H](NC(C)=O)C(=O)Nc2ccc(F)cc2)cc1 1390222 BSLJKVBWJLKNOC-MRXNPFEDSA-N 359.357 1.916 0 40 FDAB Cc1sc2ncnc(SCC(=O)N3CCN(C=O)CC3)c2c1C 3296723 CKOHNNXORURKNZ-UHFFFAOYSA-N 350.469 1.701 0 40 FDAB Cc1cc2ncc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c(C)n2n1 25471421 FMOZOJIHNVQDKO-UHFFFAOYSA-N 368.422 1.916 0 40 FDAB COc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1F 8077525 KZGWVBWUGXHCAR-UHFFFAOYSA-N 366.414 1.383 0 40 FDAB COc1ccccc1NC(=O)Cc1nc(CN2CCNC(=O)C2)cs1 57312657 OWITYHXZFFJZQF-UHFFFAOYSA-N 360.439 1.265 0 40 FDAB CN1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](c2ccccc2)C1 48276337 ITXJGLBSXMLBMY-KRWDZBQOSA-N 356.426 1.594 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 57511503 CNMHBKRQYPWRRR-UHFFFAOYSA-N 363.805 1.835 0 40 FDAB O=C(Nc1ccnn1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 48252519 NDCJXNLXCDAUQO-GFCCVEGCSA-N 353.831 1.958 0 40 FDAB C[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCOCC1 58194009 HCXUARMSCAGUTE-CQSZACIVSA-N 359.426 1.181 0 40 FDAB CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3)cc2)c1C 58171064 OXCNKQBHTUBAEG-CQSZACIVSA-N 370.409 1.366 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 27900916 PZTZHUZMRXZLOS-KRWDZBQOSA-N 360.435 1.808 0 40 FDAB Cc1ccc(CN2C[C@@H](C(=O)NCc3c(C)cc(C)[nH]c3=O)CC2=O)cc1 10457203 IELBGUYMNREERS-KRWDZBQOSA-N 367.449 1.965 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)ccc1OC 10552508 WTBGNMXBMYTGPS-UHFFFAOYSA-N 366.414 1.981 0 40 FDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 11144740 RCGYDTWLUIBTRT-OAHLLOKOSA-N 360.391 1.778 0 40 FDAB CCCN(C(=O)COc1cccc(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 48324323 LVTZCVWSGMOKQC-CQSZACIVSA-N 369.439 1.278 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c(C)s1 24709071 NRGMIHHPRJTJPZ-UHFFFAOYSA-N 373.544 1.443 0 40 FDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(C(=O)NC2CC2)c1 29326215 LLTMYWKNMSBGTO-UHFFFAOYSA-N 369.425 1.302 0 40 FDAB Cc1ccc([C@@H](CC(=O)O)NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3427033 UCUZXQDICNRXPQ-MRXNPFEDSA-N 366.373 1.923 0 40 FDAB Cn1cnnc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 2664837 UPBFIASWQLXTTH-UHFFFAOYSA-N 360.848 1.603 0 40 FDAB C[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)n1cccn1 56304376 IKWDNUBTDRWMIW-OAHLLOKOSA-N 362.455 1.367 0 40 FDAB CON(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12927387 AJZXFQOHGJJHKT-UHFFFAOYSA-N 358.324 1.379 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1 4414071 XLHQAMBQSBDPFJ-UHFFFAOYSA-N 363.439 1.417 0 40 FDAB O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCOCC1 14093947 DGYCGFROZOCNJX-UHFFFAOYSA-N 358.847 1.597 0 40 FDAB COC[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408703397 FRMBJJFDVMFGJU-GFCCVEGCSA-N 372.443 1.113 0 40 FDAB Cc1cc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 14110866 VCNPGXRLXZPFNB-HNNXBMFYSA-N 362.455 1.238 0 40 FDAB COCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 4783845 WITYXKTYHMTCPR-UHFFFAOYSA-N 354.472 1.936 0 40 FDAB COc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C 20768607 TYHIDPKRNKYIIN-UHFFFAOYSA-N 370.452 1.130 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(C)C1=O 5629307 UHLGRLZVSROISI-UHFFFAOYSA-N 354.160 1.117 0 40 FDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccn2)c2ccccc21 9306664 BZGGSHSPLILOHI-MRXNPFEDSA-N 352.394 1.310 0 40 FDAB CC(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67645030 YSIUOORMBMCTPK-OAHLLOKOSA-N 369.487 1.697 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)N1CCOCC1 7660476 RSLDQERZLYOAAL-GFCCVEGCSA-N 373.862 1.445 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1O 7979004 FHAFQIXMNQEHLQ-SSDOTTSWSA-N 359.176 1.546 0 40 FDAB Cc1csc2nc(CSc3nnnn3C[C@H]3CCCO3)cc(=O)n12 9512725 JKCSVNPUUROSEF-LLVKDONJSA-N 364.456 1.522 0 40 FDAB CCCCS(=O)(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924157 AWNZJOTXBNRMFL-UHFFFAOYSA-N 352.464 1.411 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCCc1ccc(F)cc1 8503923 SAVTUXAGTSAYCS-SNVBAGLBSA-N 350.419 1.885 0 40 FDAB COc1ccccc1CN(C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 18076321 QTUNUUFQHKHTIV-UHFFFAOYSA-N 362.451 1.934 0 40 FDAB O=C(O)[C@]1(C(F)(F)F)CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)C1 567984754 AMQZLWQLIUENKK-ABAIWWIYSA-N 374.363 1.671 0 40 FDAB COc1ccc(NC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cn1 71280185 MDNFWRXYYUNERK-UHFFFAOYSA-N 370.365 1.456 0 40 FDAB CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)COc3ccccc3)C[C@H]21 514289338 IKAYJQFRZKSJGM-AEFFLSMTSA-N 352.390 1.809 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)ccc1-n1cncn1 532253126 COIZQBYPLZVQJX-UHFFFAOYSA-N 362.389 1.928 0 40 FDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 96040138 FGTAWJVQPFDWEM-IAGOWNOFSA-N 354.472 1.819 0 40 FDAB COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1c(C)nn(C)c1C)C2 96039157 OLVZAKFFRMFVOL-GOEBONIOSA-N 357.476 1.243 0 40 FDAB CC(C)NC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 96296356 NNAPAIZANOXWQZ-ZDUSSCGKSA-N 358.398 1.885 0 40 FDAB biogenic,in-vitro CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)CC1 96228463 BLKRFBJFMNTCBA-XLIONFOSSA-N 358.486 1.340 0 40 FDAB C[C@H](N[C@@H](C)c1ccc(F)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 245237814 XOANZKPCNNJQJO-GVXVVHGQSA-N 360.426 1.649 0 40 FDAB O=C(C[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)NCC1CCOCC1 247863356 NPVJHOPXEZQLSV-GOSISDBHSA-N 358.442 1.966 0 40 FDAB COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccno1 247830199 HGMDNKRBVRHJMQ-HNNXBMFYSA-N 372.425 1.489 0 40 FDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)COC2CCCC2)C3)n1 253477311 FCIKBEOQNFEUQB-MRXNPFEDSA-N 361.442 1.883 0 40 FDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCc1cccc2c1OCO2 64309757 RURSJLGPPHYVMY-UHFFFAOYSA-N 366.370 1.856 0 40 FDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCn1ccccc1=O 257299137 ROWQIXWLBLUFAS-INIZCTEOSA-N 356.426 1.197 0 40 FDAB CS(=O)(=O)N1CC[C@H](Cc2cc(-c3ccccc3C(=O)O)ncn2)C1 257324533 WPDPVUNEVBBUAC-GFCCVEGCSA-N 361.423 1.666 0 40 FDAB CCn1nc(-c2nnc3n2CC[C@@H](C(=O)OC)CC3)c2ccccc2c1=O 601044341 OXUSRMZEFAOXPE-LBPRGKRZSA-N 367.409 1.800 0 40 FDAB O=C(O)c1nn(-c2ccc(Br)cc2)nc1N1CCOCC1 256048747 VXWGXAGLQSIQKC-UHFFFAOYSA-N 353.176 1.565 0 40 FDAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@@](C)(C(N)=O)C1 257226569 FLEYYQFXPZOBNM-QGZVFWFLSA-N 363.414 1.974 0 40 FDAB Cc1cc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc(C)c1F 647928338 JPYVMPCTJCFOEV-CQSZACIVSA-N 352.387 1.812 0 40 FDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)o1 90613477 AIAILTWYNPJTNC-HNNXBMFYSA-N 374.393 1.481 0 40 FDAB CC(=O)N1CCCC[C@@H]1C(=O)N1CC(OCc2nnc(C(C)C)o2)C1 606445800 OAPUNZMTTMJGDO-CQSZACIVSA-N 350.419 1.321 0 40 FDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cccc(O)c1)CC2 585096245 CSSQUOQVMVOBCL-LBPRGKRZSA-N 358.398 1.182 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)COc3cccnc3)CCO2)cc1 585276270 FMBBGKBOCIDUFN-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB O=C(c1ccnc(F)c1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 585100931 HQSIPKFPGHRLME-SFHVURJKSA-N 355.373 1.670 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)[C@@H]2C[C@@H]2C)CC3)cn1 585096248 CVELSLOFLNYJLL-CORIIIEPSA-N 368.441 1.471 0 40 FDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)Cn3nc(C)nc3C)[C@H]2O)cc1 585285585 PIXZRBYRHWVPGD-SZVBFZGTSA-N 358.442 1.538 0 40 FDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)O[C@H](C)C1 32975474 KOYSBYBFTVXWFF-DVOMOZLQSA-N 372.462 1.764 0 40 FDAB COc1cc2c(cc1OC)CCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)CC2 56462864 SBVWXSXKARCWGE-UHFFFAOYSA-N 371.437 1.574 0 40 FDAB Cc1noc(C2CCN(C(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)CC2)n1 59588155 OHLUPQWQKGVDTR-LLVKDONJSA-N 360.336 1.495 0 40 FDAB O=S(=O)(c1ccc2nnn(OCc3ccccc3)c2c1)N1CCOCC1 5407649 JFVWCCRVRFCONL-UHFFFAOYSA-N 374.422 1.081 0 40 FDAB O=C(C1CC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19014630 YEXUSRSFQHHFNI-AWEZNQCLSA-N 356.470 1.797 0 40 FDAB O=C(Nc1ccc([C@@H](O)CN2CCN(c3ncccn3)CC2)cc1)C1CC1 19403902 NNWWCLVQWIDFDR-SFHVURJKSA-N 367.453 1.681 0 40 FDAB CCCn1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)c(C)n1 19526056 DEASRPKOWJIUCE-UHFFFAOYSA-N 355.489 1.569 0 40 FDAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc(C(F)(F)F)nn1)C[C@@H](C)O2 579553410 YSVUGDAOVFKVSX-BFVZDQMLSA-N 360.336 2.296 0 40 FDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 4306627 DPBLJUNIERFSGG-PJIJBLCYSA-N 359.426 1.480 0 40 FDAB CN1CC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1=O 8734257 WKJQWVONJBBZTC-GFCCVEGCSA-N 372.406 1.913 0 40 FDAB O=C1c2ccccc2C(=O)N1CCSc1nnnn1Cc1ccco1 11305754 KJRMCBZGRRRVDK-UHFFFAOYSA-N 355.379 1.703 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ncccc5F)C[C@@H]4C3)nn12 1888881982 GMXBNYFHJFLORZ-STQMWFEESA-N 367.388 1.175 0 40 FDAB Cc1cccc(CC(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)c1 1888910649 KULCRMPWXDNWLZ-CALCHBBNSA-N 362.437 1.570 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)nn12 1888910723 YKYRQJUTWDBXBX-HZPDHXFCSA-N 362.437 1.895 0 40 FDAB CC1CCN(C(=O)CN2CCN(c3ccnc(N4CCCC4)n3)CC2)CC1 1889119388 HRVXLLKLEXBCRA-UHFFFAOYSA-N 372.517 1.457 0 40 FDAB COc1ncc(CN2CCOC[C@@H](Cc3ccc4nccn4n3)C2)cn1 2037709932 YNGBGLSTWUDONL-AWEZNQCLSA-N 354.414 1.219 0 40 FDAB O=C(Cn1cccn1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838500 KABMUPAVBNKHIA-UHFFFAOYSA-N 372.400 1.447 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CCc1ccc[nH]1)C2 1565555017 NWMQOIMUVQROKA-FQEVSTJZSA-N 367.453 1.292 0 40 FDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cccs3)C[C@H]12 2055716087 YJSVTNGIQVDQTR-LMWGVWCVSA-N 370.496 1.174 0 40 FDAB Cc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)cc1Cl 1775973446 CFVLZYBOKJGYDM-UHFFFAOYSA-N 365.861 1.958 0 40 FDAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)o2)cc1 44358018 NHIYFXSCAIDXQO-LBPRGKRZSA-N 350.400 1.408 0 40 FDAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 32863559 OYHWKTJSHBEPHN-IBGZPJMESA-N 360.502 1.875 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 52566944 YWFIJTDUWOLTEG-LLVKDONJSA-N 370.365 1.088 0 40 FDAB COc1cc(Br)c(OC)c(C(=O)N2CCC(C(N)=O)CC2)c1 23438293 CHWYWEGUZBKCTB-UHFFFAOYSA-N 371.231 1.804 0 40 FDAB O=C1[C@@H]2[C@H]3C=C[C@](CNC(=O)C(F)(F)F)(O3)[C@@H]2C(=O)N1c1ccccc1 820185 VUKCMKKLFPMOTI-LSSIXWDNSA-N 366.295 1.178 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H](Cc1ccccc1)n1cnnn1 24633693 QMQKJCOBOQESFC-SFHVURJKSA-N 374.408 1.735 0 40 FDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2o1 2339484 QFYJOSBUUBYJJV-UHFFFAOYSA-N 373.434 1.628 0 40 FDAB Cc1ccc(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c(C)c1 24677252 FEZTYUXMAQTBTE-HNNXBMFYSA-N 354.472 1.613 0 40 FDAB C[C@H](CNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCOCC1 55300594 KRPKIAYIUKGCNH-PWSUYJOCSA-N 357.863 1.731 0 40 FDAB CCCCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 7679211 FBVCZYJHYQWQSO-MRXNPFEDSA-N 350.444 1.641 0 40 FDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Br)ccc2N)C[C@@H](C)O1 12586187 AIRYWBUUJHJYOW-AOOOYVTPSA-N 371.231 1.824 0 40 FDAB CCOC(=O)N1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 95978482 VVRNOBAHNAYVAE-ZDUSSCGKSA-N 370.247 1.750 0 40 FDAB Cc1ccc(-c2noc(CCC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1 58245586 QXKIHXDTWZJCSG-QGZVFWFLSA-N 363.439 1.671 0 40 FDAB C[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)O 101899552 AUQWGOHPGGKEDE-MELADBBJSA-N 357.410 1.792 0 40 FDAB CC(=O)NCCNC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 58392026 MQHRJFOVVYEOJO-UHFFFAOYSA-N 369.347 1.826 0 40 FDAB CCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccoc1)Cc1ccccc1 58304638 JPLDIJPLKDQBHS-MRXNPFEDSA-N 358.394 1.548 0 40 FDAB COCCCNC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 28064248 PUDDRAGCVUZPKS-ZDUSSCGKSA-N 365.455 1.000 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1 12622582 YHJAKWAPLVXQGV-UHFFFAOYSA-N 359.411 1.320 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)NCCSc1ccc(Cl)cc1 9155750 WIYOURHHQXTUEM-ZDUSSCGKSA-N 367.858 1.975 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2OC(F)F)C[C@H](C)O1 12900574 LUQTUSXNXIYCSS-QWRGUYRKSA-N 350.387 1.732 0 40 FDAB CC(=O)NCCNC(=O)C(=O)Nc1cccc(C2SCCCS2)c1 48736875 UBGRAMZVOOKKEM-UHFFFAOYSA-N 367.496 1.746 0 40 FDAB CCc1ccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 13002575 GNRGFLQALRBRGS-IBGZPJMESA-N 367.449 1.960 0 40 FDAB CSc1nc(C(=O)NS(=O)(=O)Cc2cccnc2)c2ccccn12 96013316 MPIJDEOEVFZTPD-UHFFFAOYSA-N 362.436 1.711 0 40 FDAB Cc1nc2nccc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)n2n1 96012340 PNVZQRABQHLBIE-CHWSQXEVSA-N 374.445 1.998 0 40 FDAB Cc1cc(N2CCN(CCO)CC2)n2ncc(-c3ccc(F)cc3)c2n1 13628220 WUNOPFBQOREOMG-UHFFFAOYSA-N 355.417 1.958 0 40 FDAB Cn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 13748349 FLCXMERUWMXSBO-UHFFFAOYSA-N 371.416 1.976 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1C 4549724 INHZQHHPLLFYPF-UHFFFAOYSA-N 372.377 1.922 0 40 FDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(Cc2ccccc2)CC1 27393010 HINDGQRELUVAQN-UHFFFAOYSA-N 352.394 1.783 0 40 FDAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(-n3cnnn3)cc2)c1 15645491 CVAPWCSBDXEDJC-UHFFFAOYSA-N 350.382 1.729 0 40 FDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 7304896 RQXMOEWHVJAXFA-LLVKDONJSA-N 352.334 1.614 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1 71801223 WUIXQYISRFCMRQ-GNKUIDOVSA-N 361.471 1.606 0 40 FDAB CCOCCCNC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 7990453 RIYUCLCQSOVUKT-UHFFFAOYSA-N 366.805 1.302 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)NCC(=O)NC(C)C 8058282 BMEBYJJIQGWXIW-UHFFFAOYSA-N 365.249 1.261 0 40 FDAB O=C(CSc1nnnn1C1CC1)N1CCN(c2ccc(O)cc2)CC1 8395610 VGEMWGVBXIGDFN-UHFFFAOYSA-N 360.443 1.155 0 40 FDAB CCSc1ccc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)cn1 72309331 JOTOFGOHZOHFMH-CYBMUJFWSA-N 351.472 1.903 0 40 FDAB CONC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C1CCCCC1 97212484 BBFACQKJGHJQTF-AWEZNQCLSA-N 351.428 1.352 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 408603866 GIMLYQUBFVULPM-SECBINFHSA-N 369.270 1.911 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4475735 VUPGBLWVWFMDOK-GGXPGOJBSA-N 366.385 1.992 0 40 FDAB CCn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cn1 306143231 XWUUQVBHPBXVSY-QGZVFWFLSA-N 356.474 1.963 0 40 FDAB COc1ccccc1CCNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 70641372 VMYLUTVRKARVIC-SFHVURJKSA-N 368.433 1.782 0 40 FDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 78326009 PLFHZQBPCDOVQG-CQSZACIVSA-N 354.472 1.931 0 40 FDAB Cn1c2ccc(F)cc2c2nnc(SCC(=O)N3CCOCC3)nc21 35314409 WUKXNFCGGSKYGP-UHFFFAOYSA-N 361.402 1.607 0 40 FDAB COc1ccccc1CC(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238828510 FIKTYNUMUXQIPI-HOTGVXAUSA-N 354.406 1.400 0 40 FDAB COc1cc2c(cc1OC)[C@H]1CN(C(=O)n3ccnc3)CC(=O)N1CC2 72342254 LCDNXTIHGFMVQS-CQSZACIVSA-N 356.382 1.310 0 40 FDAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CN(C)C)nc1C 72345479 VZSNTGYVMKIFMQ-INIZCTEOSA-N 361.490 1.882 0 40 FDAB CC(C)c1nnc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1 41070401 SZEMKJAXAZWEIO-UHFFFAOYSA-N 355.445 1.118 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1OC 44842032 MZUWLZRMDYXMTA-UHFFFAOYSA-N 352.387 1.672 0 40 FDAB CCC(=O)C1(C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 571986646 DMGKDRGFJGLIFK-QGZVFWFLSA-N 369.465 1.695 0 40 FDAB COCc1nn2c(nnc3c(=O)n(CC(=O)O)ccc32)c1-c1ccccc1 40391209 ZKGSASWDYLFQOG-UHFFFAOYSA-N 365.349 1.337 0 40 FDAB COc1cc(OC)cc([C@@H](NC(=O)CN2CCCC2=O)c2nccn2C)c1 48234624 DBWYBBZXRWWMMP-GOSISDBHSA-N 372.425 1.265 0 40 FDAB O=C(O)CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CCOCC1 532601976 HSJYNLPSWSXOSI-QGZVFWFLSA-N 363.410 1.950 0 40 FDAB C[C@H]1CN(Cc2ccc(CNC(=S)NCCN(C)C)cc2)C[C@H](C)O1 40087584 YYOGSVHIEFPKAA-HOTGVXAUSA-N 364.559 1.822 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3c(C)noc3C)C[C@@H]12 96057194 DJUUSOOKSDAUQD-INMHGKMJSA-N 351.447 1.139 0 40 FDAB Cc1nc(NC2CC(C)(C)NC(C)(C)C2)cc(C(=O)N2CCOCC2)n1 96182742 UBCBLULLTXJINW-UHFFFAOYSA-N 361.490 1.979 0 40 FDAB Cn1nccc1[C@@H]1OCC[C@H]1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 579264281 GCZWLSQSBWMWAM-YSIASYRMSA-N 368.481 1.931 0 40 FDAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 95477328 TUNANFRWQCJMEM-CQSZACIVSA-N 357.462 1.965 0 40 FDAB Cc1occc1C(=O)NC[C@H]1COCc2c(-c3ccnn3C)nnn2C1 96045665 RRQMGHWRYFWVKS-GFCCVEGCSA-N 356.386 1.156 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(COCc3c(C)nc(N(C)C)nc32)C1 96244483 BNYGFSRXMVPEQT-KRWDZBQOSA-N 368.503 1.455 0 40 FDAB COc1ccc(C(=O)N2CCN(C(=O)Nc3ccnc(C)n3)CC2)cc1 332532413 GUVPCZYOWIGLSM-UHFFFAOYSA-N 355.398 1.784 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230540 UGHYKAZVRXKAKA-NXEZDXNNSA-N 362.401 1.803 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1ccnn1C)CC[C@H]2O 257329006 XHZQDHMQHZPJCU-BQJUDKOJSA-N 368.481 1.617 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)n1 257288048 PSOPGEFECLWIQK-KRWDZBQOSA-N 356.430 1.290 0 40 FDAB Cn1nccc1CCC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257262327 LKYSQOOQTGQFPP-UHFFFAOYSA-N 354.414 1.507 0 40 FDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3ccc(C(=O)O)cc3F)CCO2)n1 262409773 PDHNMYQIGDTKCY-CYBMUJFWSA-N 362.361 1.273 0 40 FDAB CC(C)n1ncc2cc(S(=O)(=O)Nc3cnn(C)c3C(=O)O)ccc21 540294450 JFYSCHPYCZLJTJ-UHFFFAOYSA-N 363.399 1.850 0 40 FDAB C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CN)C1)c1nnc2n1CCCC2 627001509 GESCBKHRHKKKJO-QJPTWQEYSA-N 374.411 1.844 0 40 FDAB Cn1ccc(CNC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 645701338 PKFZJZTWZIDDAS-CRAIPNDOSA-N 355.442 1.517 0 40 FDAB O=c1c2cnn(CCOc3ccccc3)c2ncn1C[C@]1(O)CCCOC1 656699366 JZVXAXMCQQEXAG-LJQANCHMSA-N 370.409 1.214 0 40 FDAB NC(=O)CN1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988517 QASWQEDWQQRUGV-GWCFXTLKSA-N 365.359 1.644 0 40 FDAB CN(c1ccccc1NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1)S(C)(=O)=O 647697399 HIUBFTCBPSFCTE-WDEREUQCSA-N 355.416 1.457 0 40 FDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cscn1 575403709 MYPKOPFNDQGRNX-LBPRGKRZSA-N 373.500 1.094 0 40 FDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCc3nc(C)no3)CCO2)cc1 585277300 HQDFYPUILSFOMF-IBGZPJMESA-N 359.426 1.452 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccc(C4CCC4)c3)C2)C1 685942931 UONBFBNTRAECKC-INIZCTEOSA-N 355.438 1.373 0 40 FDAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)Cc2c[nH]c3ccccc23)C1 1775958439 ZQLJECVYHVZXTC-GJZGRUSLSA-N 353.426 1.805 0 40 FDAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48083888 KWLJTSOZJJFCTN-INIZCTEOSA-N 373.457 1.537 0 40 FDAB Cc1nccc([C@H]2CCCN(CC(=O)N3CCC4(CC3)OCCO4)C2)n1 585145884 GGJBSBHTOOLJAZ-INIZCTEOSA-N 360.458 1.330 0 40 FDAB O=C1OC2(CN(Cc3cccnc3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162105 NRRXEBXPCMTXDY-LJQANCHMSA-N 364.449 1.973 0 40 FDAB COc1ccc(CCNC(=O)c2ccc(F)cc2-n2cnnn2)cc1OC 12409976 LGBJOWIMBXEQFO-UHFFFAOYSA-N 371.372 1.791 0 40 FDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 13960261 SOJOYKFGZBAKJA-CRWXNKLISA-N 358.785 1.647 0 40 FDAB Cc1c(CN2CCN(C[C@@H]3CCCO3)CC2)c2ccccc2n1CC(N)=O 19368554 XYCYDFQENGFJPE-KRWDZBQOSA-N 370.497 1.732 0 40 FDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1nccc2ccccc12 390831087 PNWGASHDESHTFR-INIZCTEOSA-N 373.478 1.616 0 40 FDAB CN([C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1)S(=O)(=O)C1CC1 1888844305 SUTOWOLXPXIXLQ-SECBINFHSA-N 350.366 1.498 0 40 FDAB Cn1nccc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037839767 CPLRQRSOFGCIML-SFHVURJKSA-N 358.373 1.207 0 40 FDAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc(-n2cccn2)cc1 1565523614 SCTCBFMKZUKZNW-GOSISDBHSA-N 373.434 1.968 0 40 FDAB COCCO[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1Cc1ccccc1 1565555852 QZUNVRJQBIHXBJ-RBUKOAKNSA-N 370.449 1.724 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 1565550549 CQOLBBIVOIREPQ-PIIMJCKOSA-N 369.465 1.705 0 40 FDAB CC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1 4275143 VCGUYYMHXBKXDN-UHFFFAOYSA-N 357.435 1.933 0 40 FDAB Cc1nc2n(n1)-c1nnc(CCCC(=O)NC(C)C)n1-c1ccccc1-2 4906283 OYBPYHRBOTXPIV-UHFFFAOYSA-N 351.414 1.984 0 40 FDAB O=C(c1cc(C2CC2)on1)N1CCc2nnc(Cn3cccn3)n2CC1 2055713715 BLZGKBTXLCOZQA-UHFFFAOYSA-N 353.386 1.087 0 40 FDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 5332534 ZKXPZNPRPIHVSP-UHFFFAOYSA-N 363.420 1.683 0 40 FDAB O=C1O[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)Cc2ccccc21 40162061 KHYBJHCZYNTHNE-CYBMUJFWSA-N 357.366 1.054 0 40 FDAB COC(=O)[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 32820434 WSTJPXCWBRUFFY-GFCCVEGCSA-N 357.410 1.804 0 40 FDAB CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1 32816238 MHQOJIORLULUBZ-UHFFFAOYSA-N 350.396 1.577 0 40 FDAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)cnc3ccccc32)CC1 24470467 GGTBVFUVYVEAAA-UHFFFAOYSA-N 358.398 1.134 0 40 FDAB O=C(O)[C@@H](Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F 1563620 ZVOSPOWICGDQFC-MRVPVSSYSA-N 373.205 1.829 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(C)c2)NC(=S)N[C@]1(O)C(F)(F)F 4269899 NYBXAAGEGZOEGZ-UHIISALHSA-N 362.373 1.944 0 40 FDAB NC(=O)[C@@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1 6184624 GILYTPIZGZUWMR-OAHLLOKOSA-N 358.423 1.328 0 40 FDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCc2ccccc2C1 6859720 XNPBPIDXPZHSEW-UHFFFAOYSA-N 361.448 1.811 0 40 FDAB C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2noc3c2CCCC3)C1=O 108663038 QPIYUOXDAMDHGB-IBGZPJMESA-N 368.393 1.620 0 40 FDAB Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(Cl)nn23)cc1 61966042 ATNPNKSJKGLOOY-UHFFFAOYSA-N 351.819 1.607 0 40 FDAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(N)=O)CC3)c12 2120333 JQTALEWFNIRMHK-UHFFFAOYSA-N 372.421 1.767 0 40 FDAB biogenic CN(CCNS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)OC(C)(C)C 58316339 TYYHBILPXDXXKY-UHFFFAOYSA-N 356.444 1.767 0 40 FDAB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102331896 IPAVQMVJBOUHJL-UGQVUOCMSA-N 357.341 1.663 0 40 FDAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 28265151 YFDRJDJCEYZCPI-UHFFFAOYSA-N 362.433 1.741 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850963 FBJSMOXXCHLLIN-QJHMNFFWSA-N 368.389 1.803 0 40 FDAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)CN1CCCC1 47905480 OJZBDRKRGPZPTM-CQSZACIVSA-N 365.499 1.589 0 40 FDAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 109038079 HDOAVCSOTVRVGC-KDOFPFPSSA-N 368.499 1.772 0 40 FDAB CCN1CCN(CC(=O)Nc2cccc(OCC(F)(F)F)c2)C(=O)C1=O 57034146 SDSSKKWZNAYQGJ-UHFFFAOYSA-N 373.331 1.257 0 40 FDAB COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 95480506 ODYIFIJBBTZPTE-HNNXBMFYSA-N 373.409 1.578 0 40 FDAB Cc1nnc2n1C[C@H](C(=O)N1Cc3ccccc3[C@H](n3cccn3)C1)CC2 89740854 OJWUMPDZUJNPQV-SJLPKXTDSA-N 362.437 1.977 0 40 FDAB CC(C)(C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1)c1ccccc1 26939744 ASBXMTFPLOJDQT-UHFFFAOYSA-N 357.454 1.257 0 40 FDAB Cc1cccc(OCCNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 12893687 ILZMAULWEFSIMR-UHFFFAOYSA-N 353.378 1.193 0 40 FDAB CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)n1 12873197 WNUHHLIBGLFSFV-UHFFFAOYSA-N 372.454 1.494 0 40 FDAB CCOC(=O)C1CCN(C(=O)CSc2nnc(C(C)C)n2N)CC1 3423401 RQSHAFNTGBMZJT-UHFFFAOYSA-N 355.464 1.009 0 40 FDAB Cc1ccccc1CN(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12994857 BJWDWXUDOBNXGP-GOSISDBHSA-N 353.422 1.706 0 40 FDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 5008471 QDCAFRUISUSUPH-GFCCVEGCSA-N 356.444 1.241 0 40 FDAB CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 9303613 LFSUNDCRTWTAEU-QWHCGFSZSA-N 368.480 1.941 0 40 FDAB O=C(NC1=NCCS1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 14198562 NPLXHZHHLHEAMK-UHFFFAOYSA-N 366.402 1.512 0 40 FDAB CC(=O)Nc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 14180629 ODQUNPATADKATG-UHFFFAOYSA-N 366.377 1.949 0 40 FDAB COCCN1C(=O)N[C@@H](c2cccc(OC)c2OC)C(C(=O)OC)=C1C 9337376 NSKLFBRIQUNIPD-HNNXBMFYSA-N 364.398 1.864 0 40 FDAB O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 5613106 ZAKALGHBMDWYNB-UHFFFAOYSA-N 350.465 1.824 0 40 FDAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-n2cnnn2)c1 6882198 YUTWNDGTPHNOPC-UHFFFAOYSA-N 364.365 1.989 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1N1CCCC1 217634167 MVWKGSJDHGTDHF-GFCCVEGCSA-N 354.428 1.442 0 40 FDAB CCCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)n[nH]c1=O 7293462 BWKCUTWGBRHIPT-NSHDSACASA-N 364.427 1.030 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n[nH]3)CC2)c(C)c1 15680606 JQNXMNGJLIMSDP-UHFFFAOYSA-N 362.455 1.482 0 40 FDAB Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 7777811 VUCQFHNHFSEQCK-ZIAGYGMSSA-N 356.444 1.029 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccn2)C1=O 8025458 FZCPIKHCIKJPNG-IBGZPJMESA-N 352.394 1.555 0 40 FDAB CC(C)NC(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972411 HMTOYSJOSJUMJU-LBPRGKRZSA-N 350.385 1.275 0 40 FDAB C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 69950968 IDODLGNLJBBTCH-GOEBONIOSA-N 363.483 1.039 0 40 FDAB O=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 8718128 QLFGKMTVHQQBFL-UHFFFAOYSA-N 350.368 1.790 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)OCO3)C1=O 8735017 OIFJNAIXTHASOV-SFHVURJKSA-N 353.334 1.527 0 40 FDAB COc1ccc(-c2cc(C(=O)NC[C@@H](O)CO)c3ccccc3n2)cc1 9050818 FSOQAXZHLDEHRM-CQSZACIVSA-N 352.390 1.993 0 40 FDAB CNC(=O)CC1CCN(C(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 74514804 HGCRBIJBTUABIO-UHFFFAOYSA-N 361.471 1.840 0 40 FDAB C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(=O)NC(C)(C)C 89237990 USKSGRJIUYBYME-GDBMZVCRSA-N 374.485 1.780 0 40 FDAB CCOc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)NC(C)C 408700753 LGKKGPUNZGQKBF-UHFFFAOYSA-N 356.444 1.244 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408709640 VWJDHPCGYWHDOA-AWEZNQCLSA-N 360.458 1.364 0 40 FDAB Cc1cc(C)c(N(C[C@@H](O)CN2CCOCC2)S(C)(=O)=O)c(C)c1 31903767 VAGXFJDOXINJIO-INIZCTEOSA-N 356.488 1.071 0 40 FDAB CCOC(=O)N1CCN([C@@H]2OC(=O)c3c2ccc(OC)c3OC)CC1 31817469 ZEMDNUBBEHNGPM-OAHLLOKOSA-N 350.371 1.647 0 40 FDAB O=C1NC[C@@H](CCC(=O)N2CCCC2)N2C[C@@H](NCc3ccccc3)C[C@@H]12 35442255 JIARIJNEARMUIX-OTWHNJEPSA-N 370.497 1.120 0 40 FDAB biogenic,in-vitro CCOC(=O)Cn1c(=O)n(C(C)C)c(=O)c2cc(OC)c(OC)cc21 71280243 AHZYVOYVHMZXIK-UHFFFAOYSA-N 350.371 1.324 0 40 FDAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)n(-c2ccccc2)n1 227162276 ZZNLVGBKGHINNW-UHFFFAOYSA-N 364.409 1.633 0 40 FDAB CN1CCN([C@@H](Cc2ccc(I)cc2)C(=O)O)CC1 225144869 NJFWJPWPZAFIJH-ZDUSSCGKSA-N 374.222 1.534 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 138503165 NWXFZNFIRGFUQM-UHFFFAOYSA-N 356.444 1.690 0 40 FDAB NC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(O)=N3)cc1 40310032 DOTPNFXWUVROFA-LJQANCHMSA-N 364.361 1.566 0 40 FDAB biogenic COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 226042995 ZCHPXRQGHCAVJD-UHFFFAOYSA-N 374.374 1.701 0 40 FDAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1OC 225796620 IBZXPVOOUHNANY-CQSZACIVSA-N 358.398 1.857 0 40 FDAB CN([C@@H](C(=O)Nc1ccccc1C(N)=O)c1ccccc1)S(C)(=O)=O 224591516 NAHQANRYHJXADM-OAHLLOKOSA-N 361.423 1.357 0 40 FDAB Cc1csc(CNC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 577354471 UJUPMYHSDYIXGK-CYBMUJFWSA-N 361.471 1.618 0 40 FDAB CCOC[C@@H]1C[C@@]2(COCCN2S(=O)(=O)c2ccc(OC)cc2)CO1 96240745 OQIFZUMVDSFQIU-DOTOQJQBSA-N 371.455 1.280 0 40 FDAB O=C(CCc1nnc2ccc(Cl)nn12)N[C@H](C(=O)O)c1ccccc1 96223861 SOKPWQFXDZPGAV-HNNXBMFYSA-N 359.773 1.652 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12 96062641 FEBCEJGIMBWSGC-UHFFFAOYSA-N 372.494 1.937 0 40 FDAB Cc1cccc(CN2CCO[C@@]3(COCCN(c4ncccn4)C3)C2)n1 96229482 DYTDXKIFNUYHPW-IBGZPJMESA-N 355.442 1.288 0 40 FDAB O=C([C@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2)N1CCOCC1 96052217 PDRZZNDHSAFJPW-GOSISDBHSA-N 362.445 1.913 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(S(=O)(=O)C1CC1)CC2 96047325 PGKJFPUWFWZHHY-UHFFFAOYSA-N 364.471 1.287 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccccc1)CC2 247891298 TUWPWBRKBZDNIX-MRXNPFEDSA-N 366.483 1.447 0 40 FDAB COc1cccc(CC(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)c1 257257217 KOOWPRXLHCQDKV-LJQANCHMSA-N 356.426 1.175 0 40 FDAB O=C(c1ccccn1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 85472247 IHEKFLUSGCFASW-UHFFFAOYSA-N 361.409 1.973 0 40 FDAB COc1ccc(NC[C@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 253487943 UHVCHBZRTZMATO-NUJGCVRESA-N 369.465 1.749 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257248700 JEVBAIJLDLRADV-INIZCTEOSA-N 356.430 1.143 0 40 FDAB COc1ccnc(N2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)n1 264144834 GUACLWGEFGJSRY-UHFFFAOYSA-N 353.382 1.897 0 40 FDAB CC[C@@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)c1ccccc1 96097925 CRPBNOXATCANPU-OAHLLOKOSA-N 352.398 1.134 0 40 FDAB CN(C)C(=O)COc1ccc(N2C(=O)N[C@@](C)(CCF)C2=O)cc1Cl 1614995500 KLLOFVHYQXIZKM-INIZCTEOSA-N 371.796 1.982 0 40 FDAB O=C(c1ccccc1Cn1ccnn1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 615960217 ZDYGIDBBGADTPG-GOSISDBHSA-N 374.466 1.367 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 643971242 FIJFTLCRVPPRBK-INIZCTEOSA-N 356.444 1.003 0 40 FDAB O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)N[C@H]1COC[C@H]1n1ccnn1 661155150 XLEIWRRASSXLLJ-LUKYLMHMSA-N 357.414 1.090 0 40 FDAB COCCn1cc(S(=O)(=O)Nc2cc(C)cc(F)c2C(=O)O)cn1 663267901 XKSKBPOBIRMOPP-UHFFFAOYSA-N 357.363 1.476 0 40 FDAB Cn1ccc(CC(=O)N2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)n1 585113560 UHPIFVCACJDHNI-IBGZPJMESA-N 374.510 1.775 0 40 FDAB O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@H]1COc1cccnc1 585097790 PTHKMSCMGWYPCN-INIZCTEOSA-N 356.426 1.763 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@H](CCNC(=O)N3CCCC3)C2)n(C)n1 585111951 FKTKDRQRNXUVGN-MRXNPFEDSA-N 371.489 1.677 0 40 FDAB Cc1ccc(N2CCC(O)(CN(C)[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 585284528 SVIGUJHMYYWPKC-SFHVURJKSA-N 366.527 1.835 0 40 FDAB Cn1c(C[C@H]2CCCC[C@H]2N)nn(CCc2ccc3c(c2)CCO3)c1=O 685943067 RHOUACIIZDPTAL-NVXWUHKLSA-N 356.470 1.819 0 40 FDAB O=C1CN(C(=O)CN2CCCN(CC(F)(F)F)CC2)c2ccccc2N1 76399075 PZARMTVEIRZABC-UHFFFAOYSA-N 370.375 1.542 0 40 FDAB C[C@@H](OCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 42470383 SDAMVLSRPIPVPE-WBVHZDCISA-N 368.499 1.942 0 40 FDAB Cc1cncc(C(=O)N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)c1 1615190616 JARUCPWRQPURQT-NVXWUHKLSA-N 354.410 1.570 0 40 FDAB CCN(CC)CCN(CC)C(=O)Cn1nc(C)n2c(cc3occc32)c1=O 12115445 AGYGXRFEVARZMC-UHFFFAOYSA-N 373.457 1.741 0 40 FDAB Cc1nonc1CC(=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 12143206 BPKNFGOLUUKMPK-UHFFFAOYSA-N 353.386 1.438 0 40 FDAB C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccs1 14076987 PEBPDRWAUUVIDB-MNOVXSKESA-N 369.468 1.091 0 40 FDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15331342 DCASMAXPILFGDS-ONGXEEELSA-N 362.245 1.520 0 40 FDAB CCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 16678171 GIJXAUQNHJGTLM-UHFFFAOYSA-N 350.444 1.100 0 40 FDAB Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)N4CCCCC4)C3)nc12 19747157 ZBEXRXYWFZMWCT-INIZCTEOSA-N 356.426 1.496 0 40 FDAB Cc1nn(C)cc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19747826 QCKBEZBAQBFUCP-GFCCVEGCSA-N 366.418 1.517 0 40 FDAB NC(=O)Cn1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1=O 19749956 PREVSXZWQOUUTB-UHFFFAOYSA-N 353.422 1.575 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19947592 LKPLUHYXMJJKHJ-UHFFFAOYSA-N 370.405 1.943 0 40 FDAB CCc1nccn1CC1CN(C(=O)Cn2cnc3ccccc3c2=O)C1 1849414757 TZQKSIUQVXGXOT-UHFFFAOYSA-N 351.410 1.314 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1 225406398 ZPKSVLCGVWBQGW-DLBZAZTESA-N 368.437 1.664 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)cc1 226318403 OGTOPVMHGOEASF-CYBMUJFWSA-N 373.434 1.634 0 40 FDAB COc1cccc(C2=CCN(C(=O)[C@@H]3Cn4c(C)nnc4CN3C)C2)c1 644412177 OQKWETLKBNNYOH-KRWDZBQOSA-N 353.426 1.335 0 40 FDAB COc1nscc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 1662231352 KKZBSEWCLNGGPS-WFASDCNBSA-N 372.443 1.640 0 40 FDAB O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(c3ncncc3F)C[C@H]2C1 1888866984 PYPWHOZFBPDIPT-GJZGRUSLSA-N 362.430 1.514 0 40 FDAB Cc1cc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n2nccc2n1 1888890618 NBLGSZAQNYYFDV-UHFFFAOYSA-N 353.430 1.652 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncc(Cl)cn5)C[C@@H]4C3)ncnc21 1888897874 XBIQSGXWPRINAS-RYUDHWBXSA-N 370.848 1.862 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5cnccc45)CC3)nn2)n1 1889213051 HHSZIGOPNDYSME-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc(O)nc1 253537672 FMQWJGSSNRIIKB-UHFFFAOYSA-N 352.379 1.883 0 40 FDAB CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@H](C(=O)Nc2ccccc2)C1 1565545259 CGQNHEUTXXBIEG-OAHLLOKOSA-N 370.457 1.215 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1ncc(OC)cn1)CC2 1565550057 NTFSOFFTDZGYOR-UHFFFAOYSA-N 356.382 1.216 0 40 FDAB Cc1ccc(N2CCC3(CCN(C(=O)c4ncn(C)n4)CC3)CC2)nn1 1565541593 CPLWWXVJKXVWIZ-UHFFFAOYSA-N 355.446 1.436 0 40 FDAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4cc(C)on4)cnc32)cc1 4139878 OOTVJWYKZPVYIQ-UHFFFAOYSA-N 365.353 1.221 0 40 FDAB O=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 5313367 MFSNZIDPXWHXSD-CYBMUJFWSA-N 362.389 1.592 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2ccc(F)cc2)c(=O)c3=O)cc1 8849243 JKMNMCZWDZJOMC-UHFFFAOYSA-N 368.368 1.753 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 12342430 RGOZWQKLCDYARZ-UHFFFAOYSA-N 367.380 1.916 0 40 FDAB COCCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746123 NQFJHTGIYQLABN-UHFFFAOYSA-N 352.460 1.231 0 40 FDAB c1ccc(-n2nnnc2CCCN2CCN(c3cnccn3)CC2)cc1 40153528 ONLDWPVJODGQGJ-UHFFFAOYSA-N 350.430 1.207 0 40 FDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc(Br)c1O 101675382 JYINNPFIOWEFRR-QMMMGPOBSA-N 368.147 1.133 0 40 FDAB NC(=O)COc1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cc1 52527904 JSMWKWFSKHLDQX-UHFFFAOYSA-N 354.362 1.897 0 40 FDAB C[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)NC(=O)NC1CC1 23345491 VPEHPDYNRIRFSM-GFCCVEGCSA-N 356.382 1.335 0 40 FDAB COC(=O)c1sccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 2922862 CBXZCEALBMUUQW-UHFFFAOYSA-N 357.391 1.963 0 40 FDAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(N)=O)cc1 23417243 HJLLMIMZBIGQIV-GFCCVEGCSA-N 362.407 1.826 0 40 FDAB Cc1cc(C)c2c(N)c(-c3nc(N)nc(N4CCOCC4)n3)sc2n1 1068582 YAZRAUUAJWAEEZ-UHFFFAOYSA-N 357.443 1.766 0 40 FDAB Cc1ccc(S(=O)(=O)N(C#N)c2nc(Cl)nc(N(C)C)n2)cc1 852964 QJRMRLVYXSDGNO-UHFFFAOYSA-N 352.807 1.576 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)CC1=O 43007302 FURBHNCWFKLGSC-KRWDZBQOSA-N 371.481 1.929 0 40 FDAB OC[C@@H]1O[C@H](n2c(SCc3ccccc3)nc3ccccc32)[C@H](O)[C@@H]1O 4824721 LARSJCJUSJIUAU-MLHJIOFPSA-N 372.446 1.940 0 40 FDAB Cc1cc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)no1 25138354 VICZIJYRNOTDGE-GOSISDBHSA-N 374.372 1.548 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 6326612 PWHZDKNBNRFPBX-UHFFFAOYSA-N 360.863 1.932 0 40 FDAB COc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 7939732 JFADXIJGYWRHNX-UHFFFAOYSA-N 360.366 1.867 0 40 FDAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)ccc12 57688321 VXQZRBZOKHMUQN-CYBMUJFWSA-N 350.396 1.464 0 40 FDAB O=C(CC1CCCCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58370869 RAAIWKICMZTYJW-UHFFFAOYSA-N 358.398 1.654 0 40 FDAB CCC[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 10079309 ZPFZVQKDXXYPIZ-AWEZNQCLSA-N 369.487 1.695 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1cccnc1N(C)C)C2=O 58145121 UTZRMGPLTXESTD-ZDUSSCGKSA-N 366.421 1.757 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)c1 108529584 RABHGKSSTWIANB-UHFFFAOYSA-N 353.426 1.470 0 40 FDAB NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10959405 PVSXKYPFWLXIJS-UHFFFAOYSA-N 370.434 1.509 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859045 DAVNREGNPPKABN-MJVIPROJSA-N 362.304 1.479 0 40 FDAB CC(=O)c1sc(-c2c(N)n(C)c(=O)n(C)c2=O)nc1-c1cccs1 2659384 UTWHBMOMOMISCT-UHFFFAOYSA-N 362.436 1.721 0 40 FDAB O=C1CN(c2nc(C(F)(F)F)ccc2I)CCN1 95437080 BEVGIJGDKPLWHL-UHFFFAOYSA-N 371.100 1.641 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(F)cc1 20245104 VPILMNQMPAGPOQ-UHFFFAOYSA-N 357.451 1.841 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 48236346 UYWHTHQDQSNNIL-UHFFFAOYSA-N 363.424 1.407 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 24832294 BQFGBCFTNVLYCK-UHFFFAOYSA-N 367.361 1.506 0 40 FDAB O=C(OCC(=O)N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 3489182 DLSULJJOEHSKDK-UHFFFAOYSA-N 353.374 1.933 0 40 FDAB NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3572649 MJPFVVHZOKZJSZ-UHFFFAOYSA-N 372.381 1.812 0 40 FDAB O=C(Nc1ccccc1)N1C[C@@H]2OCC(=O)N(Cc3ccccn3)[C@@H]2C1 67897534 CIYIXSHFOFHQIY-SJORKVTESA-N 352.394 1.725 0 40 FDAB biogenic,in-vitro Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 13145444 PFRXZTWGGYHPDL-ZIAGYGMSSA-N 358.394 1.652 0 40 FDAB COc1cc(C[C@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)cc(OC)c1O 9047789 WCEZOVIEJRGHEA-WBMJQRKESA-N 365.407 1.346 0 40 FDAB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C1/C[C@@H](c2ccccc2)NN1 13550361 COSSOHNJBJBXHS-DQHOPXMZSA-N 354.410 1.891 0 40 FDAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 39996880 LSJRSACXGDRKCS-CQSZACIVSA-N 370.902 1.855 0 40 FDAB Cn1c(CSc2nc(/C=C/c3cccs3)n[nH]2)cc(=O)n(C)c1=O 14158962 PVFCLPPBWAGMNM-AATRIKPKSA-N 361.452 1.726 0 40 FDAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 14140907 JZICYPXUOJWIFT-UHFFFAOYSA-N 360.439 1.911 0 40 FDAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc[nH]1 5689150 RSQMNGGGUVAKNH-UHFFFAOYSA-N 367.452 1.406 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](C)C1 9317749 IPQSTVCRFMSTPP-GHMZBOCLSA-N 359.430 1.013 0 40 FDAB O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccn1 9306384 BAMSPSBEFTYBME-UHFFFAOYSA-N 367.409 1.646 0 40 FDAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nnc(C(F)(F)F)s1 4911026 IFOCPZDLUWIKFG-VKHMYHEASA-N 366.350 1.342 0 40 FDAB CN(CC(=O)Nc1ccc(Br)cc1)CC(=O)N1CCOCC1 7607458 FRPJCQGCOXQUHZ-UHFFFAOYSA-N 370.247 1.178 0 40 FDAB CCOC(=O)C1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 7663600 FXYIXCSGFHUTHC-CYBMUJFWSA-N 359.426 1.635 0 40 FDAB COC[C@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O 16694971 HJZQTORYHSMTCS-WDEREUQCSA-N 353.806 1.648 0 40 FDAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1ccccc1 17197165 XBOXIXKLAJKNLI-GOSISDBHSA-N 374.400 1.948 0 40 FDAB biogenic CN(CCO)C(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 8765190 VDYIPJGSSCNKQI-UHFFFAOYSA-N 369.373 1.995 0 40 FDAB biogenic CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(N)s1 8748697 TZZULJGHKPJBSM-UHFFFAOYSA-N 352.441 1.642 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCO1 9854214 UGFQVKVBDUXHKB-ZDUSSCGKSA-N 364.423 1.619 0 40 FDAB CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccncc2)c1 97102039 GWJVVOGRZOHSEI-UHFFFAOYSA-N 355.441 1.523 0 40 FDAB Cn1ncnc1COc1ccc(CCO)cc1-n1nc2ccccc2n1 72311194 MVZCJUQBEHINOZ-UHFFFAOYSA-N 350.382 1.663 0 40 FDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CCO1 97696062 JGFADXRODQUCLZ-SECBINFHSA-N 364.217 1.313 0 40 FDAB O=C(NCCc1ccccn1)C(=O)Nc1cccc(N2CCOCC2)c1 84609935 MQCHAUGKUCMDQD-UHFFFAOYSA-N 354.410 1.216 0 40 FDAB N[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 85368363 KXCWCPJHGPWZCJ-STQMWFEESA-N 353.264 1.620 0 40 FDAB O=C(NC1CCC(C(=O)O)CC1)c1ccc(S(=O)(=O)NC2CC2)cc1 95970500 XPPBYLPRLPWEJQ-UHFFFAOYSA-N 366.439 1.501 0 40 FDAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN2C(=O)NC[C@H]2C1 75107868 FQJIXWFCIKNDMQ-AWEZNQCLSA-N 359.430 1.831 0 40 FDAB CC(C)C[C@H](CO)NC(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 36569580 XGDHPVBDCXKSNW-LLVKDONJSA-N 371.484 1.805 0 40 FDAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408561434 SJYSXNSLVOSANZ-MRXNPFEDSA-N 368.499 1.775 0 40 FDAB C[C@@H]1CC(=O)NCCN1C(=O)c1nc(-c2ccccc2)n2c1COCC2 1553214525 ABPRSJUDERBFKH-CYBMUJFWSA-N 354.410 1.431 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)c1ccc(F)cc1 77264393 DALUJPLJKMGNFM-OAGGEKHMSA-N 372.387 1.851 0 40 FDAB biogenic,in-vitro CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)CCc1cnccn1 538852542 QHOSANKSFOJZAM-UHFFFAOYSA-N 355.442 1.709 0 40 FDAB CC(C)(O)CN/C=C(/C(=O)OC(C)(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 31672495 VHVMXANONLXMPZ-ABZBSAQLSA-N 366.458 1.705 0 40 FDAB COc1ccc(CC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224359598 FMJPEHUVEHMGFA-UHFFFAOYSA-N 371.441 1.569 0 40 FDAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN1CCOCC1 223149398 DDQLVLCESROZFA-MSOLQXFVSA-N 371.510 1.725 0 40 FDAB O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220894559 OMFCRUIPGZQBOJ-LLVKDONJSA-N 371.422 1.976 0 40 FDAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2cccnc2)on1 225775600 VRBMQSBCFWYIQS-UHFFFAOYSA-N 367.390 1.938 0 40 FDAB COCCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C 44049328 HWJNACXIDHYIMN-UHFFFAOYSA-N 356.835 1.791 0 40 FDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3F)co2)CC1 44921328 YLALAPAQLHEAAN-UHFFFAOYSA-N 374.368 1.961 0 40 FDAB O=C(O)CCN(C(=O)c1cccc(N2CCCC2=O)c1)C1CCOCC1 571830004 WSSDGHZVXVUQEA-UHFFFAOYSA-N 360.410 1.909 0 40 FDAB COc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cc1 96071526 XVNVXXQUFGAOHH-KRWDZBQOSA-N 352.456 1.725 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCC(C)C)C[C@@H]32)C(=O)N1CCOC 96261678 QYSNJRGGLFFTJQ-ZRGWGRIASA-N 364.490 1.730 0 40 FDAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)no1 96050286 IQKQENGSATVBEC-IBGZPJMESA-N 372.400 1.685 0 40 FDAB CN(C)C(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 96053195 QNNWIXGDOHGJMU-CQSZACIVSA-N 366.483 1.825 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)[C@H](C(N)=O)C1 257316454 VFQPSBNBUDGXSQ-SFHVURJKSA-N 353.422 1.653 0 40 FDAB CCn1ncc(S(=O)(=O)NCc2ccnc([C@H]3CCCO3)n2)c1C 257217341 CYNTZWDVPCWGCX-CYBMUJFWSA-N 351.432 1.331 0 40 FDAB C[C@H]1CN(c2cccc(Cl)c2)CCN1S(=O)(=O)c1cn(C)cn1 585138636 UUTNPMFRFVZYMT-LBPRGKRZSA-N 354.863 1.973 0 40 FDAB Cc1cc([C@@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)CCO2)ccn1 257276743 NUYAKLSUPUUBQQ-KRWDZBQOSA-N 353.378 1.898 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@@H](Cc2cn3cccc3cn2)C1 257325317 WSLBUNZJDQNSLC-XJKSGUPXSA-N 359.426 1.587 0 40 FDAB Cc1cc(C[C@@H]2COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)ncn1 257278887 OECGFOQFBALBPQ-INIZCTEOSA-N 357.458 1.396 0 40 FDAB CCn1cnnc1C1CCN(C(=O)c2c[nH]nc2[C@H]2CCCCN2)CC1 685941665 FZGLCRPCMDSOFU-OAHLLOKOSA-N 357.462 1.856 0 40 FDAB CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC4(CCCN4C)CC3)c2C1 1255754505 DXXIOEYHFBDEQB-MRXNPFEDSA-N 373.501 1.282 0 40 FDAB Cc1cc(N2CCC(N(C)S(C)(=O)=O)CC2)nc(-c2ccncc2)n1 601515003 INSBDLUBYASWEL-UHFFFAOYSA-N 361.471 1.707 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Cl)cc1F 643972786 ZXZJMDAMSBJTBT-ZDUSSCGKSA-N 351.783 1.733 0 40 FDAB O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc2c(c1F)CCNC2 666956352 ZGDLULNCMQWKDP-UHFFFAOYSA-N 371.412 1.261 0 40 FDAB O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)C1 575419931 AYFKYUWBZSCBSS-GASCZTMLSA-N 361.460 1.002 0 40 FDAB Cn1ccc(CC(=O)N2Cc3cn(C)nc3[C@H](COc3cccnc3)C2)n1 585110949 GNCGZXLNQHKIBX-HNNXBMFYSA-N 366.425 1.296 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3ccc(C)nc3O)CCO2)c1 585275757 ADYSHNKEEJYODU-HXUWFJFHSA-N 356.422 1.850 0 40 FDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)[C@H]1Cc3ccccc3O1)CC2 585096428 NDXSFCAXFYGIOD-CXAGYDPISA-N 368.437 1.928 0 40 FDAB Cc1cccn2c(=O)c(C(=O)N(C)C[C@H]3CCc4nccn4C3)cnc12 681897251 SJHXLYNEZFRLIB-CQSZACIVSA-N 351.410 1.534 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ccc(Br)cn2)CC1 46055323 UWFSRQMUGIJHKM-LBPRGKRZSA-N 355.280 1.879 0 40 FDAB C[C@@H](C(N)=O)N1CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)CC1 76093203 JXWULGMHCAMUEI-NSHDSACASA-N 374.514 1.144 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1 58177842 QASIFEMZTSVBKF-UHFFFAOYSA-N 362.393 1.420 0 40 FDAB Nc1cc(S(=O)(=O)C(F)(F)F)cc(I)c1O 94986262 PXAGOHJOFCUKER-UHFFFAOYSA-N 367.086 1.873 0 40 FDAB CN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 97617848 BPSGQKPFEABNBM-UHFFFAOYSA-N 365.499 1.639 0 40 FDAB COCc1ccccc1/C=C(\C)CN1CCN(C(=O)Cn2cnnn2)CC1 552243776 KDODQGUMCWWFDD-LFIBNONCSA-N 370.457 1.067 0 40 FDAB COC(=O)COC(=O)COc1ccc(NC(=O)CCCCCO)cc1 114670816 WYCKCRAYLHARAC-UHFFFAOYSA-N 353.371 1.273 0 40 FDAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(CC2CC2)CC1 1772595275 ISZSXRQWTQZPLX-HXUWFJFHSA-N 368.525 1.847 0 40 FDAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccccc1NCCO 5279159 HVKFCPDIYKHAIX-UHFFFAOYSA-N 354.406 1.833 0 40 FDAB CCn1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2O3)c1C 12183802 HLTMYGWIDPMPJJ-IBGZPJMESA-N 354.410 1.966 0 40 FDAB COc1cc(N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)nc(C)n1 12224361 WEUPKHMBRYMGSH-UHFFFAOYSA-N 362.455 1.613 0 40 FDAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(C2CCCC2)CC1 19446858 ZHAXJZYYCACZJA-KRWDZBQOSA-N 350.511 1.967 0 40 FDAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 19709200 SIUGVVNWOZDJSB-QGZVFWFLSA-N 353.470 1.763 0 40 FDAB COCCn1c(SCC(=O)N2CCCC2)nc2c(c1=O)S[C@@H](C)C2 4107985 YGLIYIVMTWJMKW-NSHDSACASA-N 369.512 1.641 0 40 FDAB COc1ccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 5302062 YOQDFYYLTGQMGG-ZIAGYGMSSA-N 354.472 1.733 0 40 FDAB CO[C@H]1CCN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1 637405351 VQUSAALLYZJCPL-HOTGVXAUSA-N 353.850 1.976 0 40 FDAB CO[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@]12C[C@@H](c1cccc(F)c1)CO2 643586046 SZARKTUDNGNVQZ-LSBZLQRGSA-N 359.401 1.891 0 40 FDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@H](C)C[C@@H](C)C1 10233899 ITSDTHLNJCIQEK-VXGBXAGGSA-N 372.473 1.271 0 40 FDAB CC(C)N1C[C@@H](C(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)CC1=O 12220182 SPQSFKAVCPDIMK-GJZGRUSLSA-N 369.469 1.931 0 40 FDAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1C 6422462 HXSDRZQWPXXCSK-UHFFFAOYSA-N 362.407 1.746 0 40 FDAB CN(C)S(=O)(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888888490 ATSYJXDDFVCETL-HZPDHXFCSA-N 373.482 1.318 0 40 FDAB CSc1ncc(Br)c(N2CCO[C@H](C(=O)NC3CC3)C2)n1 1889077130 NAOACNTVKQIRCA-JTQLQIEISA-N 373.276 1.445 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)c1 1123871411 LFYPMBCQXRSCEB-IBGZPJMESA-N 360.410 1.927 0 40 FDAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(-n2cncn2)nc1 23131157 OBLPKKBYFXFTHV-UHFFFAOYSA-N 365.328 1.150 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)c1ccc(C)c(OC)c1 42314574 WEMLZQLXIZSWSR-UHFFFAOYSA-N 369.420 1.970 0 40 FDAB COC1(CC(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)CCC1 1565550906 HPFBKNIPNOVMDU-ROUUACIJSA-N 359.470 1.843 0 40 FDAB Cc1nc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)cs1 1565546322 ZFVBXYOUVYVDOR-UHFFFAOYSA-N 359.455 1.930 0 40 FDAB COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N 5241896 QUJGBRCWHNCRMS-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2[C@@H]1C 8704245 CPUJCYRYZWXULH-SNVBAGLBSA-N 372.816 1.961 0 40 FDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 2055772429 HYZRXUSBSSEWFH-UHFFFAOYSA-N 362.380 1.881 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(Cc5nc(C)no5)C[C@@H]4C3)ncnc21 2086865044 CYOSCPWGMVTWNK-BETUJISGSA-N 354.418 1.106 0 40 FDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cnc2ccccc2n1 575414504 IODHMNFQUNCHJR-LBPRGKRZSA-N 360.381 1.076 0 40 FDAB O=S(=O)(Cc1ccccc1Cl)NCc1cn(-c2cccnc2)nn1 575618020 GROCDNJHSBUTRV-UHFFFAOYSA-N 363.830 1.935 0 40 FDAB Cn1ncc2c(=O)n(CCC(=O)Nc3nc4c(s3)CCCCC4)cnc21 40034671 NNXHDGUDRJLOCV-UHFFFAOYSA-N 372.454 1.884 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)CCn2cccn2)CC1)c1ccccc1 30251180 ILOGOWRYLMLCKU-UHFFFAOYSA-N 354.454 1.922 0 40 FDAB Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)n1 40153377 KUMWZUSQLZKJEO-UHFFFAOYSA-N 368.485 1.974 0 40 FDAB O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 50635418 ONBLCUTZOWRMHY-BELXIORKSA-N 373.497 1.589 0 40 FDAB CC(C)CNC(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32102080 DEOGHKRSPFNOGH-AWEZNQCLSA-N 353.444 1.381 0 40 FDAB CC1CCC(NC(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)CC1 32777780 GIIFTPFLTCRAGN-MOENNCHZSA-N 373.500 1.759 0 40 FDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1 22381257 HCHQLGAGUCMKJY-UHFFFAOYSA-N 370.365 1.332 0 40 FDAB Cc1ccccc1-c1noc(CN2CCCN(S(C)(=O)=O)CC2)n1 22964314 UVEXFWRBPKKXGU-UHFFFAOYSA-N 350.444 1.512 0 40 FDAB Nc1cccc2c1C(=O)N(CN1CCN(Cc3cccs3)CC1)C2=O 22924378 YXDHNMFTOVPOFN-UHFFFAOYSA-N 356.451 1.702 0 40 FDAB CC1(C)OC(=O)C(C)(CCCC2(C)C(=O)OC(C)(C)OC2=O)C(=O)O1 988451 PCZXPRTYDFEDED-UHFFFAOYSA-N 356.371 1.842 0 40 FDAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O 12554916 GZZRWQIBSUXTEH-INIZCTEOSA-N 356.426 1.960 0 40 FDAB Cn1nc(C(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 6223820 QPAHQPHNSQQNEV-UHFFFAOYSA-N 363.329 1.344 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C1=O)OCC(=O)c1ccccc1 101678255 UHLFESIZBNNHMZ-SMTUBYSVSA-N 365.385 1.466 0 40 FDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H]2CCOC2=O)C(C)C)cc1 25058565 OEFYHVNEQNZFSU-UONOGXRCSA-N 355.412 1.157 0 40 FDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cnn(C)c1 25046850 UGJMCDCUTMIAMG-GOSISDBHSA-N 353.426 1.607 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)s2)CC1 55930992 VEANIFGGXXJXLL-LBPRGKRZSA-N 352.460 1.049 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CNS(=O)(=O)c1cccc(C(=O)OCc2cn3cccc(C)c3n2)c1 12734247 HMUAPRKQMWHLIS-UHFFFAOYSA-N 359.407 1.908 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(F)cc1 3373282 YJEQLIANJSUVDJ-SXGWCWSVSA-N 366.414 1.464 0 40 FDAB COCCNC(=O)CN(C)S(=O)(=O)c1ccccc1-c1ccccc1 12936733 LCVVTHTUOZJEGH-UHFFFAOYSA-N 362.451 1.737 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 96006987 ALSUULAGVLGWPL-GOEBONIOSA-N 357.454 1.803 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N3CCN(CCO)CC3)c(=O)oc2c1 13623518 UQXXPKQVODGGBL-UHFFFAOYSA-N 374.437 1.179 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 6086926 QLVFZTSFLJFPRU-UHFFFAOYSA-N 350.378 1.737 0 40 FDAB CCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 4329665 QKUWWYHJDZEALG-UHFFFAOYSA-N 370.457 1.851 0 40 FDAB NC(=O)CCS(=O)(=O)CCN1CCC(CCc2ccccc2)CC1 9337808 LHDAIQMTZXYTSV-UHFFFAOYSA-N 352.500 1.621 0 40 FDAB O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc[nH]n1 65565338 OJIYKKWAEIMQQL-UHFFFAOYSA-N 369.381 1.582 0 40 FDAB COc1cc(NC(=O)CCC(=O)OCC(F)(F)C(F)F)nc(OC)n1 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OLQJPOSEGGUDDO-AWEZNQCLSA-N 363.462 1.027 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3C)no1 96199503 JVZCDEYUCWMEGA-OAHLLOKOSA-N 354.410 1.999 0 40 FDAB CCOC[C@H]1C[C@]2(COCCN2S(=O)(=O)c2cccc(F)c2)CO1 96078599 OOVIIUIGMBVCEV-ZBFHGGJFSA-N 359.419 1.411 0 40 FDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12 96311029 HFMCDQZHRKRYPI-CQSZACIVSA-N 361.467 1.155 0 40 FDAB CN(C)c1cc(N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)ncn1 248079669 CKXZYSGOAFSGLL-INIZCTEOSA-N 355.442 1.892 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2cccc(Br)n2)CC1 257211532 BZGFXSCJFDOZHL-UHFFFAOYSA-N 362.293 1.905 0 40 FDAB CN(C)c1ncc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cn1 257338637 YYGYSIHWIAQJNC-BZUAXINKSA-N 357.414 1.028 0 40 FDAB CCc1noc(CCC(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257294670 QVFVJIJEIQGJFL-HBUWYVDXSA-N 350.463 1.401 0 40 FDAB O=C(NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2)c1ccccn1 257287264 PPEQVBXLXKWSKI-ZMZPIMSZSA-N 356.382 1.892 0 40 FDAB Cc1cc(C[C@H](C)NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)n[nH]1 275592049 KHYFCHIRYGIAPF-LRDDRELGSA-N 373.461 1.288 0 40 FDAB CN1CCN(C(=O)c2cccc(N3CCOC3=O)c2)CCC12CCOCC2 1615590158 ZKFJYVCLZUQZEP-UHFFFAOYSA-N 373.453 1.970 0 40 FDAB CC(C)Oc1cncc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 675825588 VOLCFGRAIXDIAR-UHFFFAOYSA-N 367.471 1.555 0 40 FDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COCC(=O)N1Cc1cccs1 90608467 OEILWSGSKNVSIL-AWEZNQCLSA-N 374.418 1.521 0 40 FDAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)C(=O)Nc1ccc2c(c1)OCO2 90610649 GEBYIBNKZFZCAU-CQSZACIVSA-N 370.361 1.139 0 40 FDAB Cc1ncoc1C(=O)N1CCn2c(COc3ccccn3)nnc2[C@H]1C 585097402 KZUWYJADLKCZBU-GFCCVEGCSA-N 354.370 1.766 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C)cn2)[C@H]1Cc1ccccc1 585277231 NMMDDWYXTLDQKU-OALUTQOASA-N 354.454 1.930 0 40 FDAB NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)COC3)cc1 58306898 UWQFFCYDMKQSCF-UHFFFAOYSA-N 354.362 1.925 0 40 FDAB Cc1cc(C)n(CC(=O)NCCCN2CCN(c3ccccc3)CC2)n1 40087658 IRGHSMQMTBKUKZ-UHFFFAOYSA-N 355.486 1.828 0 40 FDAB CN(CCO)C[C@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 85470204 MWPRHNBRWLETGW-HNNXBMFYSA-N 352.500 1.711 0 40 FDAB CN(C1CC1)S(=O)(=O)N[C@@H](C(=O)O)c1ccccc1Br 681565325 LRYZBRJDBYAZTL-LLVKDONJSA-N 363.233 1.503 0 40 FDAB Cn1cnc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615125376 ZFWYHUPUGZBQTH-LJQANCHMSA-N 358.417 1.957 0 40 FDAB COC(=O)[C@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1c1ccc(F)cc1 12157175 IAGAWNIYQNFWRZ-CVEARBPZSA-N 362.401 1.553 0 40 FDAB COCc1ccc(CN2CCC(O)(c3cnc(OC)nc3OC)CC2)o1 12186371 SZVKMSAFEWWMAF-UHFFFAOYSA-N 363.414 1.717 0 40 FDAB Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CCC(=O)O)CN3C)n2)cc1 12529733 MUZDDPFMJUBKAF-KBPBESRZSA-N 358.398 1.771 0 40 FDAB biogenic,in-vitro Cc1ccc(NC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1C 13534722 OWBYSBCCLFKUIV-UHFFFAOYSA-N 366.429 1.729 0 40 FDAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cnccn1 18948089 DINIBUSRYCLNBM-UHFFFAOYSA-N 352.350 1.948 0 40 FDAB Cn1c(C(=O)NCCS(=O)(=O)N2CCCCC2)cc2cc(F)ccc21 19289775 GWJXTNROJWFLSO-UHFFFAOYSA-N 367.446 1.863 0 40 FDAB CCN1C(=O)[C@@]2(N=C(N)NC(Nc3ccc(F)cc3)=N2)c2ccccc21 19330809 JROVQNRKWSCTSE-GOSISDBHSA-N 352.373 1.731 0 40 FDAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2 19713743 QXIGVOPCFJPMMG-OXQOHEQNSA-N 369.421 1.632 0 40 FDAB CN1CCC(C(=O)N2CC(C(=O)Nc3cccc(-n4cccn4)c3)C2)CC1 19747579 FYFVHDIVDRMFNU-UHFFFAOYSA-N 367.453 1.611 0 40 FDAB CCOC(=O)/C(C1=NC(=O)CS1)=C1\NN=C(c2ccc(OC)cc2)O1 6463226 MSVYTASAHMIOLV-WYMLVPIESA-N 361.379 1.423 0 40 FDAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)C(C)(C)C)C[C@@H](C)O1 35590425 LBMMVRNGBIYXTE-BETUJISGSA-N 360.462 1.602 0 40 FDAB O=C(c1cnccn1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984479 CFAUTXMEQZBLTH-HXUWFJFHSA-N 366.421 1.905 0 40 FDAB Cc1cc(N2CCN(Cc3cc(C)on3)CC2)nc(N2CCOCC2)n1 2087126086 LHPIHOCFPFJHTL-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)n1 1565554852 HJHHPJBFRQJBHX-BZUAXINKSA-N 357.414 1.047 0 40 FDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@H]2O1 1565552261 NBWQAJZRVFAUMW-AEGPPILISA-N 350.390 1.794 0 40 FDAB O=C(N1CCN(c2cc(O)nc(O)n2)CC1)C1(c2ccc(F)cc2)CC1 1565519188 GQVPBQANJWPFPP-UHFFFAOYSA-N 358.373 1.407 0 40 FDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1565543423 AAJBIQWOSXMSRM-MAUKXSAKSA-N 373.482 1.544 0 40 FDAB CC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n[nH]1 1565553658 HCRPPHINNIOMQF-ROUUACIJSA-N 369.425 1.123 0 40 FDAB Cc1ccc(NC(=O)C2(NC(=O)Cn3nnnc3N)CCCCC2)cc1 718638 IOKVOXJAUYKBND-UHFFFAOYSA-N 357.418 1.022 0 40 FDAB COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccccc3)CC2)cc1 10219379 DGTKDMBFHRYQQJ-UHFFFAOYSA-N 374.462 1.818 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(CCc2ccccc2)CC1 2055782140 QWQTXBKNTFKHAK-UHFFFAOYSA-N 356.470 1.680 0 40 FDAB O=C(NCc1cn(-c2cccs2)nn1)c1cnn(-c2ccccc2)n1 575616820 NFQOAHYRHPHTOB-UHFFFAOYSA-N 351.395 1.840 0 40 FDAB O=C1Nc2ncccc2O[C@@H]1CCN1CCN(Cc2ccccc2)CC1 20218646 UWWDDFGVXDFNNV-GOSISDBHSA-N 352.438 1.989 0 40 FDAB CCCc1nnc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101420405 FYLBRTROSSXIEN-NUZBWSBOSA-N 360.439 1.626 0 40 FDAB CCCCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 102610095 MFKPYASVZNUPKO-KLHDSHLOSA-N 358.394 1.673 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)NC(=O)CO3)s1 42316650 BBSIBOUNFNQXDD-UHFFFAOYSA-N 352.393 1.506 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)N1CCCCCC1 23223791 GXZDVZFRHQDLEL-UHFFFAOYSA-N 360.458 1.149 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1 23350397 DEDONIHWQHTQDM-UHFFFAOYSA-N 361.427 1.380 0 40 FDAB O=C1c2ccccc2C(=O)N1C[C@H](O)COCc1ccc2c(c1)OCO2 24084990 QJSGZMCEVUIRPT-ZDUSSCGKSA-N 355.346 1.589 0 40 FDAB COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F 6879074 WWUOGXTTZYIWDH-UHFFFAOYSA-N 359.313 1.799 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(C)c2)C1 25307559 FHBUJKWJPYVFOG-GFCCVEGCSA-N 367.431 1.064 0 40 FDAB CNC(=O)C1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 25755044 IFXGMBQWNWFWHJ-UHFFFAOYSA-N 351.422 1.251 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CCCOc2ccccc21 58232405 ZBWJETCEGFGRRY-OAHLLOKOSA-N 366.425 1.896 0 40 FDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccsc1 36398642 FGWXEGOSSONNLU-RYUDHWBXSA-N 363.405 1.878 0 40 FDAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)NC1CC1 36384538 FCNUHTZWBSXIOE-UHFFFAOYSA-N 353.426 1.113 0 40 FDAB CC(C)C(=O)N1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 36446853 WLHZZRGNHSWVOZ-UHFFFAOYSA-N 372.469 1.552 0 40 FDAB OCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12 2413379 IHFHBYXCHNKVKR-UHFFFAOYSA-N 352.188 1.930 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cn[nH]c2-c2ccccc2)cc1 29001374 FBFZKENMPPCYNP-UHFFFAOYSA-N 370.434 1.697 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccncc1 11919154 JRNLBVKGPDIZFT-CYBMUJFWSA-N 352.394 1.918 0 40 FDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2ccccc2)CC1 21548685 RHEZTYQRAMSEBZ-QZTJIDSGSA-N 367.449 1.282 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 12391904 PLIJVEZUKJQKOJ-WMZOPIPTSA-N 366.417 1.940 0 40 FDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 10151729 WMGBNUHUNCSNIF-HZPDHXFCSA-N 372.421 1.727 0 40 FDAB COc1ccccc1-c1n[nH]c(NC(=O)CCNC(=O)c2ccoc2)n1 48300444 QEMRARITYQQPLY-UHFFFAOYSA-N 355.354 1.832 0 40 FDAB Cc1cnn(CCC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 96005253 BGYXTCLAJTUBBO-MRXNPFEDSA-N 368.503 1.435 0 40 FDAB COc1cc(CNCCNC[C@H](C)O)ccc1OCC(=O)NC(C)(C)C 22075864 SQSHLGVNDNAQLV-AWEZNQCLSA-N 367.490 1.049 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1 4762296 QKUUEZGMKRKEON-TZMCWYRMSA-N 368.455 1.712 0 40 FDAB CCn1cc(C(=O)N[C@H](C(=O)OC)C(C)C)c(=O)c2cc3c(cc21)OCO3 6754717 LZFXYIQDVWBCFF-INIZCTEOSA-N 374.393 1.678 0 40 FDAB Cn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1C(F)(F)F 6947399 MXWPGSSRMHTLKB-UHFFFAOYSA-N 351.354 1.694 0 40 FDAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(Cl)cc2)n(C)c1=O 4943387 IUFGTVRLAFCIBR-UHFFFAOYSA-N 361.789 1.116 0 40 FDAB O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1CCCN1C(=O)c1ccccn1 80402325 BUZOIQAYSFXOKU-HNNXBMFYSA-N 363.381 1.301 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1 306141277 VQLRPSQZQQHCIS-CYBMUJFWSA-N 369.516 1.301 0 40 FDAB CCCCn1c(=O)c2c(nc(Br)n2CC(C)=O)n(C)c1=O 69534023 HSEPWZRGRFBZQY-UHFFFAOYSA-N 357.208 1.048 0 40 FDAB COC(=O)CN(C)C(=O)CCNC(=O)c1ccc(Br)cc1 8766979 JTUGJRDMVPBSGH-UHFFFAOYSA-N 357.204 1.200 0 40 FDAB COC(=O)c1ccc(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 72309836 SGGBXGUWXJWLSG-UHFFFAOYSA-N 366.399 1.358 0 40 FDAB CCc1cc(=O)n2nc(N(CC(=O)OC)Cc3ccccc3)sc2n1 95460491 XJNZUILCIHMWCX-UHFFFAOYSA-N 358.423 1.893 0 40 FDAB OCCN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 22816217 DZWIVIJBVWWHHJ-UHFFFAOYSA-N 356.348 1.865 0 40 FDAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1 22604669 FQEWBFKZRZQBHM-SFHVURJKSA-N 372.465 1.652 0 40 FDAB Cc1cnn(-c2c(C(=O)N3CCOCC4(CCOCC4)C3)c(C)nn2C)c1 548288473 SSMGZBFTBDZHEH-UHFFFAOYSA-N 373.457 1.492 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1 36686442 NKCFKOMLYJBEKU-UHFFFAOYSA-N 353.488 1.543 0 40 FDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306125797 DCRIOUQTZITRRH-ZDUSSCGKSA-N 353.386 1.040 0 40 FDAB COc1ccccc1NC(=O)Cc1noc(C(=O)NCc2ccncc2)n1 36366356 CKSVTKYYHVKDAU-UHFFFAOYSA-N 367.365 1.584 0 40 FDAB CN(C(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12)c1ccc(N2CCOCC2)nc1 515001633 WSNMUCKNLPWDFS-PWAJVLMZSA-N 365.433 1.208 0 40 FDAB CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2O3)c(C)n1 72347569 ZMRJTRWWQIFZPY-IBGZPJMESA-N 354.410 1.966 0 40 FDAB COc1cc(-c2cc(=O)n3nc(C)c(=O)nc3s2)ccc1OC(C)=O 36625627 NKGAGUDNLABNBE-UHFFFAOYSA-N 359.363 1.421 0 40 FDAB COCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O 217604930 BMPGRIJHQGQLTB-UHFFFAOYSA-N 364.423 1.922 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 136309318 WYOAYKCLBQDJSK-RDGPPVDQSA-N 354.450 1.896 0 40 FDAB CCCS(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224277298 XTCDGDCROPUNNE-UHFFFAOYSA-N 361.471 1.955 0 40 FDAB CN(C)[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1cn(C)c2ccccc12 75149172 FYRQILWOSJQJSR-INIZCTEOSA-N 356.426 1.046 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC)cc2)c1 40160829 DTIUZFIITOLARI-UHFFFAOYSA-N 362.407 1.311 0 40 FDAB O=C(NCc1ccc(OC(F)F)cn1)c1cncc(N2CCOCC2)c1 583668283 RDLZPSKUSYQVRZ-UHFFFAOYSA-N 364.352 1.845 0 40 FDAB CCn1cc(S(=O)(=O)N2CCC[C@H](Oc3ncccc3F)C2)nc1C 330169190 DCSXROVHSSHFPO-ZDUSSCGKSA-N 368.434 1.978 0 40 FDAB CC(=O)N1CCC(N2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)CC1 96112138 IVGODFPHRJETTM-ZBFHGGJFSA-N 361.421 1.508 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)sn1 96124125 NEPIHFCAHJCACQ-LBPRGKRZSA-N 370.442 1.677 0 40 FDAB Cc1nnc2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn12 95478831 VCCDEJOOPAPGCU-UHFFFAOYSA-N 357.395 1.935 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(C(=O)c1ccccn1)C2 96060788 UCSDXPYBYOTHAT-CQSZACIVSA-N 364.409 1.562 0 40 FDAB COc1cc(N2C[C@@H]3C[C@@H](CC(=O)NCc4ccco4)O[C@@H]3C2)ncn1 96207655 HKJCAXWLEOOCCN-AEGPPILISA-N 358.398 1.378 0 40 FDAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(c1ccncn1)CC2 96260345 ZATCZTGSXBPBKU-UHFFFAOYSA-N 354.458 1.681 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1 96208347 PFZCLRLBUILSHV-IAGOWNOFSA-N 353.488 1.535 0 40 FDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 96216322 RYYRSCRIXIECMH-AZUAARDMSA-N 355.486 1.786 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230096 LPIZZOSOIWESIL-NXEZDXNNSA-N 372.352 1.801 0 40 FDAB CCN(CC)S(=O)(=O)N1CCO[C@H](CCc2ccnc(NC)c2)C1 257258827 KVSIKUNEVSOHHE-OAHLLOKOSA-N 356.492 1.343 0 40 FDAB O=C(NCCc1cccs1)C1CN(c2cc(-n3cccn3)ncn2)C1 253472410 MBVGAKBXULQEFL-UHFFFAOYSA-N 354.439 1.519 0 40 FDAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 257202464 ALXLAAHBIORCJD-BFYDXBDKSA-N 352.442 1.995 0 40 FDAB CCc1nccn1CCC(=O)N1CC[C@H](c2ncc(CNC(C)=O)[nH]2)C1 257262789 LMXNRQZOLNZPTO-AWEZNQCLSA-N 358.446 1.211 0 40 FDAB O=C(Cc1cccs1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257309504 UBESCQILATZMMT-IRXDYDNUSA-N 356.447 1.929 0 40 FDAB COc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 254343089 UFGFZDXIYRTRNQ-HEHGZKQESA-N 352.456 1.766 0 40 FDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 547900917 DFGHZXBUVGOAHY-XUXIUFHCSA-N 355.460 1.858 0 40 FDAB O=C(O)COc1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 659760793 RQLACYRUMSLUBV-WMLDXEAASA-N 363.410 1.448 0 40 FDAB O=C(c1cccnc1N1CCN(Cc2ncc[nH]2)CC1)N1CCCCC1 65460561 FKYXGZVNJZGXCH-UHFFFAOYSA-N 354.458 1.753 0 40 FDAB C[C@@H](NC(=O)c1cccc(-n2ccnc2O)c1)C(=O)NCc1ccco1 1626298196 JCWTURVRVXQYEX-GFCCVEGCSA-N 354.366 1.606 0 40 FDAB NC(=O)C1CCN(C2CN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1 575604727 ABGJQDDPBVCHGN-UHFFFAOYSA-N 354.410 1.363 0 40 FDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 575402771 BTDBSANVFUBWEW-QGZVFWFLSA-N 355.442 1.914 0 40 FDAB C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)Cc1ccco1 585097888 SMUMRSRPBYWNAO-CYBMUJFWSA-N 353.382 1.991 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585112080 IKDCNBQTELXSMP-MRXNPFEDSA-N 352.435 1.518 0 40 FDAB CC(C)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)nn1 599800942 MSLLPRVGUVCAEN-PJGQNWHFSA-N 366.487 2.419 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2coc3cc(C)ccc23)C1 685940982 MULUVGYZDBQUKQ-WFASDCNBSA-N 358.394 1.722 0 40 FDAB O=C1[C@@H](N2CCC(Cn3cnc4ccccc4c3=O)CC2)CCN1C1CC1 1776008047 UZLUVRISYOYMMW-IBGZPJMESA-N 366.465 1.872 0 40 FDAB CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCc2cc[nH]n2)s1 580732313 LJURMGUPMKIBCZ-RKDXNWHRSA-N 351.436 1.286 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCCO2 650231157 FYIJYXGYWPNNDQ-INIZCTEOSA-N 371.411 1.102 0 40 FDAB Cc1cc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)c1 13582166 UXIGHWFYHCWKOG-UHFFFAOYSA-N 359.407 1.942 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc(C(=O)OC)c1 15589529 YZDZKVSOSYPVEA-AWEZNQCLSA-N 350.371 1.359 0 40 FDAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 16756006 JJIOXQOGGMTXKE-UHFFFAOYSA-N 369.454 1.851 0 40 FDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)c2cn(C)nc2C)C1 19583485 DOSUKQZLIYLINP-FQEVSTJZSA-N 368.437 1.698 0 40 FDAB COCCNC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 19593450 HYGGVRPOOKVUAH-APWZRJJASA-N 363.433 1.841 0 40 FDAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1 19710753 UPTCWRPZXXUULP-KRWDZBQOSA-N 369.469 1.729 0 40 FDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)CCc1ccccc1)C2 225669053 GBLNPQKKLFVUAX-HOTGVXAUSA-N 372.512 1.104 0 40 FDAB Cn1c(N)c(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O 3297267 ODXNYVHYOPWIKX-UHFFFAOYSA-N 373.409 1.003 0 40 FDAB COc1ccc(Cl)c2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc12 1888866266 OCIAVOYMGFBOKR-AWEZNQCLSA-N 352.803 1.747 0 40 FDAB Cc1nc(N2C[C@H]3CN(c4nc(C5CC5)ns4)C[C@H]3C2)nc(O)c1F 1888866375 NWJZWPFRHIICJR-PHIMTYICSA-N 362.434 1.931 0 40 FDAB Cc1ncoc1C(=O)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985059 WRKSSADHMVGYJC-LJQANCHMSA-N 371.393 1.258 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(CC(=O)N4CCCC4)C3)C2)c1 2056224032 AXOGCUNFNYRPGJ-FQEVSTJZSA-N 373.501 1.361 0 40 FDAB CCc1nc2c(c(=O)n1CCOC)CCN(C(=O)c1cccc(F)c1)CC2 1565542123 RKERRQJLRNTMJQ-UHFFFAOYSA-N 373.428 1.832 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(C[C@H]3CCCO3)C(=O)[C@@H]1C2 4761259 JUZIJWUKWUGDFW-KGLIPLIRSA-N 362.451 1.737 0 40 FDAB CCN1CCN(C)C2(CCN(C(=O)c3cccc(Cl)n3)CC2)C1=O 2055814217 RXKKFJXTWILQAB-UHFFFAOYSA-N 350.850 1.504 0 40 FDAB COc1ccnc(N2CC(n3nc(-c4ccccc4OC)ccc3=O)C2)n1 1775974829 SISWUYXBMHDSRZ-UHFFFAOYSA-N 365.393 1.779 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)NCc1ccc(Cl)cc1 575618653 DWDALNXYMMNLQI-UHFFFAOYSA-N 353.806 1.305 0 40 FDAB CCOC(=O)CSc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011391 GDFSEAZSJAVNJL-UHFFFAOYSA-N 357.417 1.188 0 40 FDAB CCC(CC)NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 40017338 JNPNXQUEPJCWRC-UHFFFAOYSA-N 366.480 1.554 0 40 FDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCc2sccc2C1 40049125 WJWVZJKFHJKSQY-UHFFFAOYSA-N 355.423 1.899 0 40 FDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 30344986 CNEJNIFEWDFBDD-ORAYPTAESA-N 371.393 1.495 0 40 FDAB CC1(C)NC(=O)N(CCn2nnc(-c3cccc(C(F)(F)F)c3)n2)C1=O 31440814 ZDCCJEUDWXPYCG-UHFFFAOYSA-N 368.319 1.689 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)nn12 32876733 ULMSPGAFCOPSGG-VIFPVBQESA-N 360.761 1.665 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32900139 HWXQULAUFVJOCW-AICCOOGYSA-N 360.476 1.147 0 40 FDAB COC(=O)CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 52830290 OMAYSBNOWPDZMK-UHFFFAOYSA-N 361.320 1.050 0 40 FDAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4c(C)nn(C)c4C)[C@@H]3C2=O)cc1 102933902 XXBLANDARMXRSN-RDJZCZTQSA-N 366.377 1.532 0 40 FDAB CC(C)(CNC(=O)CCS(=O)(=O)c1ccccc1)N1CCOCC1 22356866 BKKJBGQVEJJLRJ-UHFFFAOYSA-N 354.472 1.077 0 40 FDAB O=C(CNC(=O)OCC(F)(F)F)NC1CCN(Cc2ccccn2)CC1 104040466 WAGUWQJQWHOMQP-UHFFFAOYSA-N 374.363 1.451 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)c1c[nH]c2ccccc12 22928450 DEAQMESUTHSQKM-UHFFFAOYSA-N 354.454 1.591 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)COc1cccc(C)c1 42315113 WSJMYRYYPMSGTN-UHFFFAOYSA-N 369.420 1.727 0 40 FDAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 1475568 VTMCIHMBWRZKOY-GOSISDBHSA-N 355.438 1.846 0 40 FDAB CC[C@H](C)CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1 55196693 JBWSEFTXCOGZLI-AWEZNQCLSA-N 358.446 1.563 0 40 FDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1c(F)cccc1Cl 47636319 VKNKQMHECSDTAH-DOMZBBRYSA-N 356.825 1.946 0 40 FDAB COC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2c1CCCC2 6670103 GHUODZZVYZNBSN-UHFFFAOYSA-N 352.412 1.211 0 40 FDAB CCn1cnnc1CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 56402172 RCWSTKZICLMUGD-CQSZACIVSA-N 371.445 1.562 0 40 FDAB CN(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cn1 56979943 YEJCVNYGWUAUIO-SNVBAGLBSA-N 362.377 1.341 0 40 FDAB CN(C)C(=O)CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 57292053 PGRMVMKLBBJTRX-UHFFFAOYSA-N 359.499 1.780 0 40 FDAB N[C@H]1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]12 8296596 AOASMOYBLLZHCY-GUYCJALGSA-N 351.362 1.576 0 40 FDAB biogenic,in-vitro c1nnn(C23C[C@@H]4C[C@H](CC(c5nc6c7cn[nH]c7ncn6n5)(C4)C2)C3)n1 102611498 FMXHHMHKRNBJIX-QQJLWGBUSA-N 362.401 1.234 0 40 FDAB O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CCc2cncnc2C1 95401893 BEZXAGJKGYBDKV-UHFFFAOYSA-N 359.336 1.483 0 40 FDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108779402 SQAAHQTXNPSXIL-DJIMGWMZSA-N 357.454 1.651 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 58190902 HCVBLWGIQUNQGH-ZDUSSCGKSA-N 365.455 1.008 0 40 FDAB COCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974463 OBPJYYOLDUWMAR-AWEZNQCLSA-N 370.471 1.249 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 12569339 WWNXSXWKPQTMBW-HNNXBMFYSA-N 367.413 1.618 0 40 FDAB CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)CN2CCCC2=O)CC1 58404591 NUZVGWCDCTZKIJ-INIZCTEOSA-N 373.501 1.961 0 40 FDAB Cc1cccc(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)c1 28501251 BQUZHORXLFIXRF-UHFFFAOYSA-N 353.422 1.822 0 40 FDAB CCCNC(=O)NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 29192808 PIWMBEKTMXJOCB-UHFFFAOYSA-N 352.479 1.337 0 40 FDAB O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1nc2ncccn2n1 2808809 GMSLBWNMDSLRTN-UHFFFAOYSA-N 354.761 1.670 0 40 FDAB C[C@@H](NC(=O)C1CCCC1)C(=O)NCCS(=O)(=O)c1ccccc1 48234910 MKQXZUFHALVOIH-CYBMUJFWSA-N 352.456 1.271 0 40 FDAB O=C1CN(C(=O)CSc2nnc(C3CC3)o2)C2(CCCCC2)C(=O)N1 12742008 XTHGLLMMHIKHEV-UHFFFAOYSA-N 364.427 1.227 0 40 FDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc(Cl)c1 10339404 HFZUIAPBMUGGHP-KBPBESRZSA-N 365.817 1.378 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(-c3ccccc3)on2)c1 10914873 OKQWFRHUYRQKFM-UHFFFAOYSA-N 359.407 1.802 0 40 FDAB NC(=O)C1CCN(CCc2nc(N)c3c4c(sc3n2)CCCC4)CC1 9114700 XINSZTGMMXVOLQ-UHFFFAOYSA-N 359.499 1.892 0 40 FDAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 38717453 XSAZXFUKCJJFRL-UHFFFAOYSA-N 361.423 1.206 0 40 FDAB COc1ccccc1[C@@](N)(C(=O)NC[C@H](O)c1ccco1)C(F)(F)F 96007100 KJDNZRWSJNRARU-XHDPSFHLSA-N 358.316 1.854 0 40 FDAB COc1cccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)c1 306139342 SUYLSBCNBAIJGA-MRXNPFEDSA-N 355.442 1.541 0 40 FDAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCSCC1 5156753 HYKVRFQORMUCMP-UHFFFAOYSA-N 363.439 1.950 0 40 FDAB O=C(c1cnccn1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 14111491 USGNMYWLNDJJIQ-UHFFFAOYSA-N 356.411 1.546 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 6439235 WTYSURDATTXSAS-MISXGVKJSA-N 362.304 1.519 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C)c(F)c3)nc2n1 6509221 XFIUBQXFSLGPDM-UHFFFAOYSA-N 357.345 1.984 0 40 FDAB Cc1ccc2nc(SCc3cc(=O)n4ccccc4n3)n(N)c(=O)c2c1 71768877 BVXHZFLSJZALPN-UHFFFAOYSA-N 365.418 1.719 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 15644997 YYTTWQGIHZQKJD-NEPJUHHUSA-N 373.858 1.921 0 40 FDAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1nnnn1-c1ccccc1 71801214 BCQOACXRSDZSRP-SHZVTRLKSA-N 355.423 1.938 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1 7491115 XFPNWTFOWINPTD-CQSZACIVSA-N 364.471 1.220 0 40 FDAB CCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@H]1CCS(=O)(=O)C1 7718971 JQNVWBLRCOAFFA-LBPRGKRZSA-N 359.469 1.048 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCCc1cccs1 7834018 BNVVEVLMUIKYDW-UHFFFAOYSA-N 371.418 1.398 0 40 FDAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 8258735 ZZRNEDDTSHBDPY-LLVKDONJSA-N 358.350 1.808 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 8328025 AXTBUKIRVPXTNM-IBGZPJMESA-N 374.441 1.813 0 40 FDAB CCCn1c(N)c(N(CCOC)C(=O)NC2CCCCC2)c(=O)[nH]c1=O 8314078 FSYZWUYPPXQHLC-UHFFFAOYSA-N 367.450 1.024 0 40 FDAB COCc1c(C(=O)O[C@H](C)C(=O)NC(N)=O)sc2cccc(F)c12 17937904 ZXOTTWUHPGBPAL-SSDOTTSWSA-N 354.359 1.927 0 40 FDAB Cc1cccc2nc(CSc3nnnn3C[C@@H]3CCCO3)cc(=O)n12 8749910 IANPLVZMQSAFCK-ZDUSSCGKSA-N 358.427 1.461 0 40 FDAB CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCO[C@H](c2ccccc2)C1 89967628 FJHIOWVWWGGTCH-INIZCTEOSA-N 369.487 1.105 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306138145 RQLFJGSHJJAPGK-AWEZNQCLSA-N 363.487 1.859 0 40 FDAB O=C(N[C@H]1CCn2ccnc2C1)c1n[nH]c(C2CC2)c1Br 547659480 MQAOBNADGXIBKC-VIFPVBQESA-N 350.220 1.991 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)s1 31812957 JQTYTWPTJMCQOL-JTQLQIEISA-N 362.411 1.685 0 40 FDAB COCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409387988 BSBYABAYHVYIAB-VIFPVBQESA-N 369.270 1.813 0 40 FDAB COc1cc(OC)c([C@@H]2CCN(C)C[C@H]2OC(C)=O)c(O)c1C(C)=O 504309480 IGPSCQDNVKUGLW-IUODEOHRSA-N 351.399 1.963 0 40 FDAB COc1cccc2ncnc(N3CCN([C@@H]4CCNC(=O)CC4)CC3)c12 514840399 AGXCWAIFTZNTRL-AWEZNQCLSA-N 355.442 1.429 0 40 FDAB COc1ccc(Cn2c(=O)c3c(nc4n3[C@H](C)C(C)=NN4)n(C)c2=O)cc1 72236027 AZOBQIHROJIQFY-LLVKDONJSA-N 368.397 1.316 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1 1567533307 XWAQYCNWKSQYDT-AKJBCIBTSA-N 372.450 1.490 0 40 FDAB COC(=O)c1ccc2c(=O)n(N)c(SCC(=O)OC(C)(C)C)nc2c1 71768710 RQGKAQYFAZHDAG-UHFFFAOYSA-N 365.411 1.331 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 72338969 CNPQLLVHIADDDV-WYSJICDVSA-N 369.465 1.715 0 40 FDAB Cc1noc([C@H]2CCN(C(=O)[C@H](c3ccccc3F)N3CCOCC3)C2)n1 329087362 VBUONVJQPQIEPW-YOEHRIQHSA-N 374.416 1.907 0 40 FDAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OC)cn2C)nc1C 49548617 QGDJLSRRRKBKEW-UHFFFAOYSA-N 351.384 1.588 0 40 FDAB O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 573288185 PNFPBAYRPAJXDA-CYBMUJFWSA-N 353.386 1.175 0 40 FDAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 96075697 RLEJWDXWJMOZBN-YJBOKZPZSA-N 350.463 1.010 0 40 FDAB Cc1cc(CN2CC[C@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)oc1C 96225664 XZAAJYXWBVBLTL-KXBFYZLASA-N 361.442 1.912 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccnc2)C1 96057720 GCEYDVILBVZXPW-USXIJHARSA-N 355.394 1.611 0 40 FDAB OC[C@H]1CN(c2nccc(N3CCOCC3)n2)CC[C@H]1c1ccccc1 585082683 IECUEYGGAAQWNK-MSOLQXFVSA-N 354.454 1.916 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1nccs1)C2 96060766 BETRBHKRDHGIEG-CYBMUJFWSA-N 356.455 1.983 0 40 FDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4ccccn4)O[C@@H]3C2)cn1 96042841 AAZQVYNOMHRACG-CGTJXYLNSA-N 355.442 1.111 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]1CN(C)C2 96143830 HSWFORWCOMGZFS-PGRDOPGGSA-N 369.509 1.926 0 40 FDAB Cc1noc(C)c1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257305858 SRWJDHXSCAOKKW-HYVNUMGLSA-N 355.442 1.997 0 40 FDAB CCn1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)c(C)n1 257214694 CNBOTJZACDJPCB-SFHVURJKSA-N 358.446 1.105 0 40 FDAB Cc1ncc(CNC(=O)c2cnn3cccnc23)c([C@@H]2CCCN2C)n1 257303652 SICBOTVDXOEBEV-HNNXBMFYSA-N 351.414 1.524 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)on1 253600469 QMKJRSIOIXJSTE-ZDUSSCGKSA-N 354.428 1.039 0 40 FDAB O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 611811336 AEHCPLLUJQZLFT-BZUAXINKSA-N 371.441 1.955 0 40 FDAB CO[C@@]1(C(=O)O)CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 630253070 VKDRAGUPOIYAOY-BEFAXECRSA-N 360.410 1.188 0 40 FDAB COC[C@@H](CS(=O)(=O)N1CCN[C@H](c2ccccc2Cl)C1)OC 1666242860 AJETWNWAEGYKPH-WFASDCNBSA-N 362.879 1.278 0 40 FDAB CC(C)c1nnc(COC2CN(C[C@@H]3CCO[C@H]3c3ccnn3C)C2)o1 606445812 OWJJGFIGVRPSCV-SUMWQHHRSA-N 361.446 1.905 0 40 FDAB O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cnc2nc(O)nc(O)c2c1 298077427 ACYFQXOMKQGQBQ-SECBINFHSA-N 371.319 1.193 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2sccc2C)Cc2ccnn21 585112248 NNNPKTOCYRFTJC-AWEZNQCLSA-N 354.501 1.749 0 40 FDAB Cn1cccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1=O 96121541 QEPNWLJLPLKLHU-UHFFFAOYSA-N 368.359 1.909 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 11211908 LIQBFRRSDRQDNX-ZDUSSCGKSA-N 352.412 1.765 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O 12005903 KVQLXSISTZNQAQ-AWEZNQCLSA-N 372.446 1.972 0 40 FDAB CC(C)c1cc(C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)no1 12220457 GXNVBDIMLQNGSS-UHFFFAOYSA-N 366.381 1.949 0 40 FDAB CC[C@H](CN1CCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 12239698 YSCDDGKYMSFIQK-OAHLLOKOSA-N 356.470 1.950 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nncs2)s1 14112606 MWNVTTSWRSMUDQ-UHFFFAOYSA-N 363.511 1.666 0 40 FDAB CC(C)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 14161094 OTGWWPYVEMYLHW-UHFFFAOYSA-N 354.454 1.945 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCNCc2ccco2)c1 16756530 RRPSBFJDSLHKPM-UHFFFAOYSA-N 351.428 1.648 0 40 FDAB CC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)CC1 1848354801 ONLVVOVFNNCDRH-KZNAEPCWSA-N 351.491 1.129 0 40 FDAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C)CC2 643581735 WAZDWKVSDRJDQO-KRWDZBQOSA-N 367.534 1.936 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)[C@H](c2ccccc2)C1 578483237 BSKOYODIWGEOAC-SFHVURJKSA-N 374.462 1.991 0 40 FDAB CSCC[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9953429 LWUXBGKGFYYAQV-CABCVRRESA-N 361.467 1.854 0 40 FDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)nn1C 1888888446 DTZNFRRFLYMEKA-HUUCEWRRSA-N 364.453 1.824 0 40 FDAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100080856 GCTWDCWOQMXUTP-VXGBXAGGSA-N 356.831 1.596 0 40 FDAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SCC(N)=O)n(C)c(=O)c23)CO1 1237443 RYPWFSTYFIBQGW-HNNXBMFYSA-N 353.469 1.814 0 40 FDAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)NC[C@@H]1CCCO1 4166565 CUKQTCUSTUPPQV-ZDUSSCGKSA-N 370.438 1.598 0 40 FDAB CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3Cc2ccccc2)n(C)c1=O 8706232 NWQSQUHDQRYHDS-CYBMUJFWSA-N 366.425 1.874 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772426 HSSZAHHEQLRQFX-IBGZPJMESA-N 356.426 1.691 0 40 FDAB O=C(Cc1ccsc1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729932 FJWQGAPEFBNQDI-ZIAGYGMSSA-N 361.467 1.519 0 40 FDAB O=C(N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccncc1 2055739362 SPHDXCDRJZVWHV-ZDUSSCGKSA-N 366.377 1.880 0 40 FDAB O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ccc(F)cc2)CC1 42381618 ZNVFMIQODOMLLJ-UHFFFAOYSA-N 354.345 1.628 0 40 FDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1nc2ccccc2s1 225801555 YRENDBHSOQFXTL-UHFFFAOYSA-N 353.363 1.965 0 40 FDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1Cc2cc(F)ccc2O1 76961373 KSCIRHYXSUXVSH-WMZOPIPTSA-N 366.458 1.453 0 40 FDAB COc1ccc(CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cn1 40025096 NELDJKOHNQFPQL-UHFFFAOYSA-N 358.423 1.795 0 40 FDAB CN1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 20449970 RFQOQNIIUMCGQV-UHFFFAOYSA-N 368.462 1.899 0 40 FDAB CCCNC(=O)CSc1nnc(-c2ccc(OC)cc2OC)n1N 21576656 QVVLKLFJIOPYHE-UHFFFAOYSA-N 351.432 1.294 0 40 FDAB Cn1c(CSCCC(=O)Nc2ccccc2Cl)cc(=O)n(C)c1=O 32825956 XVSWIVPECYEZJH-UHFFFAOYSA-N 367.858 1.999 0 40 FDAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)c(C)n1C 23348545 SGFISAMVHRPRTF-UHFFFAOYSA-N 373.438 1.954 0 40 FDAB COc1ccc(OCCN2CCN(C(=O)Cn3ccccc3=O)CC2)cc1 23640764 BRQNIGDUUVBDAM-UHFFFAOYSA-N 371.437 1.080 0 40 FDAB Cc1ccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1F 12488932 VBYSNBJOPOVQHI-UHFFFAOYSA-N 355.369 1.844 0 40 FDAB COCCn1nc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)ccc1=O 24786066 HYFJSPVVAWHMRK-UHFFFAOYSA-N 368.397 1.340 0 40 FDAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)o1 3521421 LDGPWILIFLLDTJ-NSHDSACASA-N 366.395 1.728 0 40 FDAB COC(=O)C[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC[C@H](C)C1 107069252 KJBBSIZXQKJDHZ-GOEBONIOSA-N 354.472 1.727 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)no1 8036878 MMELIQHQMJWPIZ-LLVKDONJSA-N 361.329 1.657 0 40 FDAB CCc1c(C)nc2cc(C3CCN(C(=O)c4nc[nH]n4)CC3)nn2c1O 100137547 YDCFVMDBXHGDCP-UHFFFAOYSA-N 355.402 1.444 0 40 FDAB COc1ccc(CCNC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 8485420 OIEAPELGMGFZAN-UHFFFAOYSA-N 355.369 1.903 0 40 FDAB C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 58208827 WIMXBSFNFNMICQ-ZIAGYGMSSA-N 370.409 1.389 0 40 FDAB COc1ccc(CCNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1OC 101969228 PZKPALAPEKUJSS-IYBDPMFKSA-N 373.457 1.856 0 40 FDAB O=C(NCCN1CCCS1(=O)=O)c1c2c(nc3ccccc13)CCCC2 58415262 SAARTPNONRRVIK-UHFFFAOYSA-N 373.478 1.879 0 40 FDAB CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100463839 VNCOYFCXBWIVTA-QSFUFRPTSA-N 360.439 1.581 0 40 FDAB Cc1cc(NC(=O)CSc2ccccn2)n([C@H]2CCS(=O)(=O)C2)n1 10555334 BKSCVKTWKOUUSG-LBPRGKRZSA-N 366.468 1.677 0 40 FDAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100171876 LFVFPKJVNOVIAU-OZTPJHRESA-N 350.168 1.254 0 40 FDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)cc2C1=O 11363115 BZPMEBZDZFYOMJ-UHFFFAOYSA-N 373.390 1.536 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 60093181 YPBXAKOBKXVFCE-CQSZACIVSA-N 367.877 1.778 0 40 FDAB C[C@@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)Nc1ccccc1C(F)(F)F 11990944 BSLVYQXKKDQPHU-ZCFIWIBFSA-N 360.317 1.596 0 40 FDAB Cc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1Br 11905155 KIDVLASRIMZRLK-UHFFFAOYSA-N 352.188 1.636 0 40 FDAB COc1cc([C@@H](C)NC(=O)CS(=O)(=O)CC(C)C)ccc1OCCO 84575042 SDBFFIMOFLEKOT-CYBMUJFWSA-N 373.471 1.314 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)N[C@H](CC(C)C)C(=O)O)nc2n1 12895470 QLDBMONUMINDIG-LLVKDONJSA-N 351.432 1.449 0 40 FDAB CN1C(=O)N(CC(=O)NCc2ccc(C(=O)O)cc2)C(=O)C12CCCCC2 13317179 MISVGFVOTZJIHX-UHFFFAOYSA-N 373.409 1.598 0 40 FDAB CCC[C@@H]1NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 14018481 OEGKVHYAARQTOP-AWEZNQCLSA-N 369.443 1.036 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccccc2O)CC1 9476945 OCTLRZKUQDIHMQ-UHFFFAOYSA-N 350.371 1.286 0 40 FDAB O=C(COc1ccc(C2SCCS2)cc1)N[C@@H]1CCS(=O)(=O)C1 5584177 VHSOBVGBLPZYSM-GFCCVEGCSA-N 373.521 1.847 0 40 FDAB COC(=O)CCNC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 9575673 NZDIZQSCKYTHHX-UHFFFAOYSA-N 358.398 1.198 0 40 FDAB COc1ccc(OC)c(N2C(=O)/C(=C/NCCO)c3ccccc3C2=O)c1 5907375 FOZIDHZJTUEZKB-FOWTUZBSSA-N 368.389 1.814 0 40 FDAB O=C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 9575495 PKENJESXVQWMCR-ZDUSSCGKSA-N 368.430 1.418 0 40 FDAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nc1N 7185701 HQYDYYGUVWEAPO-QMMMGPOBSA-N 369.447 1.340 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 7814091 ZNGDWDIOGGXXJA-SFHVURJKSA-N 355.350 1.436 0 40 FDAB COC(=O)c1cc(=O)c2cc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)ccc2o1 72324497 IEYKNHMQYZKWMO-UONOGXRCSA-N 359.334 1.875 0 40 FDAB biogenic C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 69486157 YFBNIZHWUCMGAI-QWHCGFSZSA-N 357.414 1.342 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 69746403 GEIITOBAJPPJAJ-OAHLLOKOSA-N 366.483 1.275 0 40 FDAB O=S(=O)(c1cccc2c1OCCO2)N1CC[C@@H](Oc2cccnc2)C1 97015669 UZLLQSRYTCMQPJ-CQSZACIVSA-N 362.407 1.695 0 40 FDAB CN1CCN(C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 19369716 MOQULQNPQAOHCR-OAHLLOKOSA-N 373.291 1.453 0 40 FDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cn1ccnn1 95998443 NGMNXWJZFDQKIN-KRWDZBQOSA-N 366.425 1.681 0 40 FDAB CN(C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)C1CC(O)C1 95940286 SZIMQYVGOXQRLD-KLAILNCOSA-N 360.454 1.676 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)N1CCc2[nH]c3ccccc3c2C1 9955702 GPHNBDYOLSIQLR-UHFFFAOYSA-N 359.389 1.858 0 40 FDAB CC/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20333069 FOGBRVUWBQXNKT-HDUPEWFZSA-N 373.409 1.711 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NC1CCCCC1 217593155 FGVDTXLCIUWGEN-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB COC[C@@]1(NC(=O)c2ccnc3c2nnn3C)COc2ccccc2C1 529956621 FBQJJFYRRSRFCQ-GOSISDBHSA-N 353.382 1.113 0 40 FDAB NC(=O)c1cccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 534896471 AADWCNJQKVPGRD-CQSZACIVSA-N 353.382 1.276 0 40 FDAB COc1cccc(CC(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCC3)c1 72325045 JBAODEAGIRKNNF-AWEZNQCLSA-N 355.438 1.878 0 40 FDAB COc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCCN4C)n3CC2)cc1 72380195 YLIVJNJSIJBQJE-KRWDZBQOSA-N 369.469 1.681 0 40 FDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)n1 70999436 AHCNCDMNWGDOHR-UHFFFAOYSA-N 366.366 1.018 0 40 FDAB O=C(NCc1ccccn1)c1nnn(-c2ccc(Br)cc2)n1 75163767 NTGAKLRHGNYSHA-UHFFFAOYSA-N 359.187 1.750 0 40 FDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccc(=O)[nH]c1 225772805 XHYAHSHDPCPFMD-UHFFFAOYSA-N 361.785 1.179 0 40 FDAB COc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)CCN3C2=O)cc1 85436075 WUVNAWRFCLNTPF-QGZVFWFLSA-N 366.421 1.852 0 40 FDAB biogenic,in-vitro O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)N1CC[C@](F)(CO)C1 332734510 ZTVZJYWTAVORRV-IEBWSBKVSA-N 365.449 1.046 0 40 FDAB CCN1[C@H]2CCN(C(=O)C3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145747 KEMNCMXGAYUXTE-GJZGRUSLSA-N 364.467 1.859 0 40 FDAB CC(=O)N1CCS(=O)(=O)[C@@H]2CCN(Cc3ccc(C)cc3)CC[C@@H]21 96251599 ZXTUSXACAFOLQJ-ZWKOTPCHSA-N 350.484 1.605 0 40 FDAB CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)n(C)n1 583620940 KRMWJXPTHPFSJI-SJKOYZFVSA-N 358.446 1.369 0 40 FDAB CN(C)CC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 248141397 UHSRGUFGYWPEON-INIZCTEOSA-N 356.426 1.690 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 247957420 ODFBEHSCYKFGNC-SUVVTNLASA-N 356.422 1.800 0 40 FDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(O)c(N)c2)c1 255188300 JIYNCIUFSSUHKX-UHFFFAOYSA-N 357.413 1.147 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)CC[C@@H]1O 257270330 MTTVKDXBISFRHH-RDJZCZTQSA-N 356.426 1.646 0 40 FDAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1CC1CCOCC1 253592828 ZJUMNOGWCJBUSP-HNNXBMFYSA-N 362.474 1.088 0 40 FDAB COc1cccc([C@@H](C(=O)O)N2CCn3c(nnc3C(F)(F)F)C2)c1 634691307 DWHVCSWZVRVAKB-LBPRGKRZSA-N 356.304 1.947 0 40 FDAB C[C@@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1C[C@H](C(=O)O)C1(C)C 655873894 KIJYNSBGAPGDLE-MROQNXINSA-N 360.476 1.388 0 40 FDAB O=S1(=O)C[C@@H](O)[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C1 575424196 SYTWEPCHTCMSTC-HZPDHXFCSA-N 367.448 1.040 0 40 FDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cccn2)c1 575414460 HWBBHSNDTFSUNU-HNNXBMFYSA-N 374.408 1.319 0 40 FDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)Cn3ccccc3=O)C2)c1 585276940 QEWWIZJUZWIPKF-HXUWFJFHSA-N 356.422 1.589 0 40 FDAB CC(=O)NCCCC(=O)N1CCC[C@]2(CCN2Cc2cnc(C)s2)C1 585101906 KWIKCWQXLQPLRN-SFHVURJKSA-N 364.515 1.935 0 40 FDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2ccc(C(=O)O)cc2)CCO1 585278569 UPKHZDIILUJALB-SFHVURJKSA-N 350.415 1.081 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 585103811 RRPIETOSFNFQOJ-OAHLLOKOSA-N 371.441 1.548 0 40 FDAB Cc1noc([C@H]2CCC3(CCN(C(=O)CCS(C)(=O)=O)CC3)O2)n1 585113468 NHOKKZQJOKNWRG-GFCCVEGCSA-N 357.432 1.025 0 40 FDAB O=C(NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)c1cnccn1 585111845 CVBMYBZRNGKQKU-INIZCTEOSA-N 363.425 1.445 0 40 FDAB CCN(CC)C(=O)C1(NC(=O)c2nc3nccc(C)n3n2)CCCCC1 59919536 ZQSPUUJIHWVDLX-UHFFFAOYSA-N 358.446 1.734 0 40 FDAB CCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1 96992819 GJDOYJCICSIKNY-UHFFFAOYSA-N 350.438 1.250 0 40 FDAB CC(=O)N[C@H]1CN(C)C2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 19704839 NIUTWTZXGLIERD-QGZVFWFLSA-N 362.449 1.439 0 40 FDAB O=C(Cc1cccs1)OCCCNC1=NS(=O)(=O)c2ccccc21 5948273 QXBCQYLKUGMRJF-UHFFFAOYSA-N 364.448 1.963 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)s1 12635965 WUAXYCQUAVWMLP-PORUNHMFSA-N 371.415 1.182 0 40 FDAB CN(C)C1(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCCC1 12777329 ATNDULDIOYCYCW-UHFFFAOYSA-N 354.476 1.720 0 40 FDAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 16639722 DIPVGMZGBZUXQY-UHFFFAOYSA-N 370.471 1.631 0 40 FDAB Cc1ccn2cc(C(=O)NCCS(=O)(=O)N3CCCC[C@@H]3C)nc2c1 19238196 FMTLUKJNSKZZHN-AWEZNQCLSA-N 364.471 1.577 0 40 FDAB COc1ccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)cc1OC 19561114 XNOMLZTZAJACOQ-UHFFFAOYSA-N 370.453 1.889 0 40 FDAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cccnc1)C2 19707252 ZWGJOOTXQMICCG-HNNXBMFYSA-N 366.469 1.921 0 40 FDAB Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)ncc1C(N)=O 19758302 SQOJAACLPLIZCN-LLVKDONJSA-N 364.402 1.201 0 40 FDAB CCN1CCN(Cc2ccc(NC(=O)c3cnc(C(=O)O)cn3)cc2)CC1 647116723 UWRBPDHBEZFXCK-UHFFFAOYSA-N 369.425 1.565 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccccc2Cl)CCO1 681941946 SEHGLACTIZVJKD-CQSZACIVSA-N 368.817 1.043 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)CCO1 681941324 BYUDRLACIQANQP-IRXDYDNUSA-N 374.437 1.267 0 40 FDAB COc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC 3525269 VQVKQFRRTNOQJW-VXGBXAGGSA-N 367.398 1.505 0 40 FDAB CSc1nc(C)cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)n1 1888890284 KGVFKXBHWHRYAZ-UHFFFAOYSA-N 370.486 1.819 0 40 FDAB COC(=O)c1ccccc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238810112 ACGWSZZIOZFEDN-ZIAGYGMSSA-N 368.389 1.249 0 40 FDAB O=C(CN1CCOCC1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037908862 BOLNVUHVXCYIRE-LJQANCHMSA-N 366.433 1.280 0 40 FDAB Cc1cc(=O)n(CC(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cn1 2086929472 LETXIOCQUMTSQJ-UHFFFAOYSA-N 368.315 1.255 0 40 FDAB CCN=c1cc(C)nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)[nH]1 2087128974 PBSIAAZUFGMRBE-UHFFFAOYSA-N 371.367 1.363 0 40 FDAB COCCN1CC2(CCC1=O)CCN(C(=O)CC1(OC)CCC1)CC2 1565544313 HXZJNMRECPSLQV-UHFFFAOYSA-N 352.475 1.823 0 40 FDAB CN(C)CCOC[C@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2nnn(C)c21 1565551772 VJPZRTMQCAXALG-DNVCBOLYSA-N 361.490 1.566 0 40 FDAB CN1CCN(C(=O)[C@H]2C[C@H]3CN(C(=O)[C@@]4(C)CC=CCC4)C[C@H]2O3)CC1 1565550091 OYOCEBOPGSZHRU-LJCCNALRSA-N 361.486 1.123 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)no1 4139886 LEYWPSRIIPCGPW-UHFFFAOYSA-N 369.316 1.051 0 40 FDAB COc1ccc(S(=O)(=O)NCc2nnnn2C2CCCCC2)cc1C 10594656 OWJHEGKEUMIFOH-UHFFFAOYSA-N 365.459 1.974 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccnc1 11696704 UXYGPGNKAWDXME-UHFFFAOYSA-N 371.422 1.069 0 40 FDAB Cc1cccc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)n1 2055746511 QJWPVQTUYJXLLR-UHFFFAOYSA-N 356.474 1.658 0 40 FDAB CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 2055815418 NZWCYMNDVZTUTP-MBOZVWFJSA-N 365.518 1.500 0 40 FDAB COCCN1CCC[C@]2(C[C@H]3CN(Cc4cccc(OC)c4)C[C@H]2O3)C1=O 503865644 IGYIUJFAEYDBCR-QKNQBKEWSA-N 374.481 1.924 0 40 FDAB Cc1cccc([C@@H](CNC(=O)CCNc2ncccn2)N2CCOCC2)c1 40154360 JUPSOQHIQBRORH-GOSISDBHSA-N 369.469 1.777 0 40 FDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCc1cccs1 40122807 ZTCPMBHDPHGPFS-UHFFFAOYSA-N 355.419 1.678 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCNC1 52093503 WLPOVCWEFMIOMI-QMMMGPOBSA-N 369.668 1.751 0 40 FDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(=O)OC(C)C)c1 52970901 UHIGHPNNEYIIPG-UHFFFAOYSA-N 362.835 1.320 0 40 FDAB O=C1COc2ccc(N[C@@H]3CC(=O)N(CCc4ccccc4)C3=O)cc2N1 103022362 UXPISTLXVAFGGS-MRXNPFEDSA-N 365.389 1.800 0 40 FDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(Cc2ccccc2)CC1 22185743 DRGNELHLPXDGSL-CQSZACIVSA-N 372.498 1.833 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1cccs1 22759476 CDZBHYPPESAPGS-OAHLLOKOSA-N 356.451 1.877 0 40 FDAB CC(C)C[C@@]1(C)NC(=O)N(CCC(=O)NC(=O)NCc2ccccc2)C1=O 54374103 YGRNDQDVDFWHQZ-LJQANCHMSA-N 374.441 1.759 0 40 FDAB CCC(=O)N[C@@H](CCSC)C(=O)N1CCC(NC(=O)C2CC2)CC1 54777512 VGCKMVGQJMIWAH-AWEZNQCLSA-N 355.504 1.152 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1nc2c(cc1=O)CCCC2 71283400 YARLNYQUCLRXOW-UHFFFAOYSA-N 370.409 1.728 0 40 FDAB COC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O 1675920 ALDQYCRVWHGEFT-GJZGRUSLSA-N 372.329 1.695 0 40 FDAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)O 1721146 IAMASPDALMCULQ-INIZCTEOSA-N 352.346 1.816 0 40 FDAB COCCN(C(=O)c1ccsc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 25013499 YXTQKWFECXBHJE-UHFFFAOYSA-N 366.443 1.130 0 40 FDAB COc1ccc(OCCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 25263349 LIFGDCPVKJHSMU-QGZVFWFLSA-N 357.410 1.470 0 40 FDAB O=C(CN1CCC[C@H]1CN1CCCC1)NC[C@@H]1COc2ccccc2O1 107350844 RLRAWYRMVAHOSY-DLBZAZTESA-N 359.470 1.503 0 40 FDAB Cn1cc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)cn1 57010319 LWUZGKUEVWZIJR-UHFFFAOYSA-N 353.419 1.586 0 40 FDAB Cc1oc(C(=O)NC[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1 108331415 HOTSVOVFYALINK-AWEZNQCLSA-N 369.487 1.444 0 40 FDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)O)ccc1Cl 9582221 QGODGNZRNOQHNF-LBPRGKRZSA-N 374.846 1.670 0 40 FDAB Cn1nnnc1-c1cccc(NCC(=O)N[C@@H]2CCOc3ccccc32)c1 58168901 UNJWTEMJSQESIM-MRXNPFEDSA-N 364.409 1.929 0 40 FDAB CCOC(=O)[C@@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 58208836 NTZHDIYAGQZTHV-PRHODGIISA-N 354.350 1.659 0 40 FDAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22228070 UDCBSFBCKVREKP-UHFFFAOYSA-N 374.528 1.779 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc2c(c1)OCO2 2104293 DVPDHNXHNUGODK-HNNXBMFYSA-N 356.378 1.999 0 40 FDAB biogenic COc1cc([C@H]2[C@H]3[C@@H](N(C)C(=O)N(C)[C@@H]3C)N(C)C(=O)N2C)ccc1O 4093935 DBLJYIVEHBFBMD-BWAGICSOSA-N 362.430 1.767 0 40 FDAB C[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 36755249 VMZAPCRBQRPZIZ-ZDUSSCGKSA-N 368.455 1.479 0 40 FDAB O=c1[nH]c2ccccc2c(=O)n1C[C@H](c1ccccc1)N1CCOCC1 29303166 XEIKTLOVAPFGKV-GOSISDBHSA-N 351.406 1.763 0 40 FDAB COc1ccc(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1OC 3292587 NEJAJHYZYDZXSN-UHFFFAOYSA-N 352.387 1.414 0 40 FDAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 12634884 YMTWYEFGEIUFTK-ONGXEEELSA-N 366.361 1.689 0 40 FDAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2 12730677 XCMFLUSQXVZKLR-UHFFFAOYSA-N 368.389 1.818 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)OC)cc1 12970141 XVZOUFJFGDKYEN-UHFFFAOYSA-N 362.407 1.658 0 40 FDAB O=C(Nc1nc[nH]n1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12973989 ZDAMWFICPMTFBA-UHFFFAOYSA-N 355.807 1.495 0 40 FDAB Cc1csc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)n1 71333983 YKMCCYNKQMMBHV-CYBMUJFWSA-N 374.470 1.705 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49522798 NQCOHAHWAVJFMC-UHFFFAOYSA-N 354.447 1.645 0 40 FDAB CN(C[C@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14198071 BJJSCKUAIBOASO-LLVKDONJSA-N 369.252 1.797 0 40 FDAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)NC(=O)NC3CCCC3)nc2n1 14140602 KAMAYTDIBMISAJ-NSHDSACASA-N 362.459 1.990 0 40 FDAB O=C1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc2N1 14339554 XKTYMMBPDUYYRB-UHFFFAOYSA-N 371.418 1.825 0 40 FDAB C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 6787101 FVFSELMWUFQKBR-KRWDZBQOSA-N 367.449 1.919 0 40 FDAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CCO 84637349 FYSWSIPLKQMAEE-GXTWGEPZSA-N 354.472 1.434 0 40 FDAB Cn1ccnc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1 4805242 RQMFTICLEPADOJ-UHFFFAOYSA-N 353.469 1.733 0 40 FDAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 409236812 GBNOBYDCMGYQKZ-UKTHLTGXSA-N 350.396 1.624 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(Cl)s2)n(C)c1=O 7780342 BAVFMZKEJFJQFJ-UHFFFAOYSA-N 373.221 1.685 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(Cl)cc1 408630424 UKCHQTWMRQTISE-UHFFFAOYSA-N 370.862 1.509 0 40 FDAB O=C(CNC(=O)NCc1ccccc1)NCCc1ccc2c(c1)OCCO2 18073642 CPYZQOTXQUYFBC-UHFFFAOYSA-N 369.421 1.616 0 40 FDAB CC(C)C[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 84510101 QXVDMAPCBXANTF-ZDUSSCGKSA-N 358.442 1.531 0 40 FDAB Cc1ccc(N2CCC[C@@H](N3CCN(C(C)(C)C(N)=O)CC3)C2=O)cc1 76093291 MOKBXRZZCRAPSO-QGZVFWFLSA-N 358.486 1.372 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)s1 62022882 IMTVWNLLGMPOQS-GFCCVEGCSA-N 370.442 1.677 0 40 FDAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(CCn2cccn2)CC1 62153588 ADZKHLGQFQRUCU-UHFFFAOYSA-N 364.453 1.586 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1OC 25413279 LUQPGSIVRCSKLY-KKUMJFAQSA-N 350.459 1.860 0 40 FDAB COc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)nn1C 502301777 APJKVVHYXNMOHN-DYVFJYSZSA-N 355.398 1.058 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 46796477 OJRDSDCINUSXAT-CQSZACIVSA-N 372.874 1.660 0 40 FDAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 44840034 PQVWXSOUVMEVAF-ZIAGYGMSSA-N 359.426 1.429 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 225808002 QXARTIRSSAYNLX-LBPRGKRZSA-N 351.366 1.722 0 40 FDAB CSc1nnc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)s1 223874837 FFZCNSZTVCOUCM-UHFFFAOYSA-N 372.497 1.660 0 40 FDAB Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccn([C@H]2CCNC2)n1 570963315 WJBBHNWOOLTRIZ-LBPRGKRZSA-N 357.443 1.835 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccccc2OC)c1 225412574 OIZGBUUALXYUGT-UHFFFAOYSA-N 362.451 1.966 0 40 FDAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1 222191555 LFVFPKJVNOVIAU-ASHKBJFXSA-N 350.168 1.254 0 40 FDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(OC)cc1)C2 96060866 JRAUDYKDBNSAIS-QGZVFWFLSA-N 373.501 1.984 0 40 FDAB CC(C)CN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 96251188 YFWLRKYZGARQBY-YLJYHZDGSA-N 357.502 1.930 0 40 FDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN(C(=O)c1ccco1)C2 96060782 ZJLUPZMYEYOZSG-CYBMUJFWSA-N 353.382 1.760 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073765 RIRVIUQXAATOPA-LRDDRELGSA-N 355.435 1.748 0 40 FDAB CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3nsnc3c1)C2 91462628 NBYNWLCXQVGODP-CHWSQXEVSA-N 352.485 1.547 0 40 FDAB Cc1occc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@H]3CCCO3)=NO2)C1 96225619 IZNPGQGLHVSWCQ-FZKQIMNGSA-N 361.398 1.244 0 40 FDAB CN1CCN([C@H]2COC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 96074174 NVSTYAJGYYOCNU-GOSISDBHSA-N 358.486 1.022 0 40 FDAB COc1cccc(C(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3C)c1 96251521 UTRKAOXVWZIMMZ-JKSUJKDBSA-N 352.456 1.029 0 40 FDAB CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2cccs2)CC3)CC1 583615392 KPTOFGXEUOHZTN-OAHLLOKOSA-N 373.526 1.684 0 40 FDAB O=C(O)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1 245224258 UBOKTTMKVJUYSR-BNOWGMLFSA-N 353.396 1.791 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1 257333217 YAQYIZYONKEZBJ-OAHLLOKOSA-N 356.474 1.906 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)OC[C@]1(C)O 257276871 NVMBWYOHIWXFQP-WMZOPIPTSA-N 350.434 1.868 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)cn1 257233315 GOSQRPWDARWMIU-AWEZNQCLSA-N 352.398 1.159 0 40 FDAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)/C=C/C(=O)O 257320440 VWVLALFPHLNMBL-ZMBJWTFHSA-N 370.409 1.060 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)C1CCC(F)(F)CC1 257307341 SYGIDTDURKCPTB-MRXNPFEDSA-N 354.401 1.702 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257324666 WPQGCWBNONRUPR-OAHLLOKOSA-N 372.450 1.838 0 40 FDAB COCC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)CC1 257217897 DBASHDZAIWTMGN-UHFFFAOYSA-N 357.458 1.921 0 40 FDAB Cc1noc([C@H]2CN(C(=O)Cn3ncccc3=O)C[C@H]2c2ccccc2)n1 253473198 SOJFTNGBWUAPCW-HOTGVXAUSA-N 365.393 1.345 0 40 FDAB CCCN(CC(=O)O)S(=O)(=O)c1cc(OC)ccc1Br 262488971 WZTOZBNOPVOPPU-UHFFFAOYSA-N 366.233 1.943 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1 262390680 MSTNURMOJQFOBG-UHFFFAOYSA-N 367.409 1.780 0 40 FDAB Cn1nncc1CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 289987862 DVUXXXUGNSAURX-UHFFFAOYSA-N 371.850 1.102 0 40 FDAB O=C(NCc1cccc(N2CCOCC2)c1)c1cncc(N2CCCC2)n1 633197840 XGEXGNLHSSYCFL-UHFFFAOYSA-N 367.453 1.843 0 40 FDAB COC(=O)[C@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1cccs1 604569784 RKLIEZNYFNXKSE-MRXNPFEDSA-N 371.418 1.832 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)c1cn(C)nc1-c1cccs1 1615545602 BKPIHYYNOGXVRZ-UHFFFAOYSA-N 372.454 1.585 0 40 FDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)Cc3c(C)nn(C)c3C)C2)c1 585272782 QTNNKFWDUVAVNF-FQEVSTJZSA-N 357.454 1.930 0 40 FDAB CC1CCN(C(=O)CN2CCC3(CC2)NC(=O)c2ccccc2O3)CC1 12183451 GSBXAPMUPXYWER-UHFFFAOYSA-N 357.454 1.859 0 40 FDAB Cc1ccc(OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 17042958 YWIDYLAESLJOPA-AWEZNQCLSA-N 363.439 1.877 0 40 FDAB O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014471 SBDMDDFSZKWDKH-KRWDZBQOSA-N 372.469 1.381 0 40 FDAB O=C(CCN1C(=O)COc2ccc(Cl)cc21)NCCc1cnccn1 19345939 GPUHHKFXBGTCBE-UHFFFAOYSA-N 360.801 1.604 0 40 FDAB O=C(CN1CCC(c2nnc(-c3cnccn3)o2)CC1)N1CCCCC1 19403881 QASYEIXSUPBNJJ-UHFFFAOYSA-N 356.430 1.719 0 40 FDAB C[C@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 19457898 ZLDPDYLBGSJSBA-OAHLLOKOSA-N 359.430 1.264 0 40 FDAB Cc1nc(C)c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)[nH]1 19937526 KXDYIAHAJRBFBI-RMKNXTFCSA-N 366.465 1.787 0 40 FDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2ccncc2)CC1 575413825 QXOIQOKIVUWMEX-OAHLLOKOSA-N 373.453 1.479 0 40 FDAB CN(C)C(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5549784 ACHLRHBZNUPLFR-UHFFFAOYSA-N 350.378 1.888 0 40 FDAB CCN(C(=O)CN1CC=C(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 6544907 GHPGWBROQCBYND-GOSISDBHSA-N 362.495 1.811 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)CCC(F)(F)F)C[C@H]4C3)nn12 1888843494 DNHUTWOPKHPUPL-TXEJJXNPSA-N 368.363 1.670 0 40 FDAB O=C([C@H]1CN(c2cnc3cc(Cl)ccc3n2)CCO1)N1CCOCC1 1889138952 MGBZCJDHEQDOIY-OAHLLOKOSA-N 362.817 1.347 0 40 FDAB Cc1noc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2c2ccccc2)n1 238929436 UYIAOSJENVYEIC-CABCVRRESA-N 356.382 1.540 0 40 FDAB CN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccnc3cccnc23)C1 2037838523 LWPICNYIAWUUKZ-OAHLLOKOSA-N 364.453 1.610 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@]2(CCCN(Cc3ccnn3C)C2)C1 2056224193 GIZFYEHDIGPTHW-FQEVSTJZSA-N 370.501 1.980 0 40 FDAB Cn1ccc2c(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2087131787 FUCCPGWKHUNRCC-ZDUSSCGKSA-N 365.384 1.431 0 40 FDAB COc1cc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)on1 1565544023 ARSODUGEFXIBGU-UHFFFAOYSA-N 360.418 1.307 0 40 FDAB CCCN(CCC)C(=O)c1ncn2c1CC[C@@H](C(=O)NCCOC)C2 2055716004 QIHXPCYQLFIITE-CQSZACIVSA-N 350.463 1.470 0 40 FDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769528 HNWFZUVSVFAALH-KRWDZBQOSA-N 371.437 1.128 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 5234380 NRDRUKXOCOMDTM-UHFFFAOYSA-N 351.359 1.133 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccco3)C2=O)o1 40116530 MIOACQPPCVOTAT-OAHLLOKOSA-N 367.383 1.090 0 40 FDAB COC(=O)c1cn(C(C)(C)CO)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 101721932 YRXUSRJNJKHVDE-UHFFFAOYSA-N 371.393 1.661 0 40 FDAB O=C(O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 22147394 AAPFVESCHSOFKW-UHFFFAOYSA-N 368.180 1.307 0 40 FDAB Cn1c(SCCN2CCOCC2)nc2sc3c(c2c1=O)CCC3 22408744 YUHQXJUGEFJXMJ-UHFFFAOYSA-N 351.497 1.908 0 40 FDAB Cn1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1C(N)=O 53669691 DIYFBLRMIQMCLT-INIZCTEOSA-N 359.451 1.965 0 40 FDAB CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 969364 MGQPZZSBUVOLFH-UHFFFAOYSA-N 354.384 1.774 0 40 FDAB COc1ccc(OC)c(NC(=O)CCc2nnc3ccc(OC)nn23)c1 71284817 FUIDIMNZHFJWLR-UHFFFAOYSA-N 357.370 1.721 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 12422762 BGIBCZTVUJRNFO-SNVBAGLBSA-N 355.419 1.890 0 40 FDAB NC(=O)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3 12409737 UQUSTOOXLGCMKB-UHFFFAOYSA-N 365.418 1.747 0 40 FDAB Nc1c(NC=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 719453 ZPIDQHYZZLNZEJ-UHFFFAOYSA-N 350.378 1.257 0 40 FDAB C[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)C1 878410 XWDBQBKDRCEXDR-HNNXBMFYSA-N 370.457 1.435 0 40 FDAB O=C(NCCC(=O)N1CCN(CCO)CC1)c1ccc2ccccc2c1 78234062 FUHDDUUOOHIAMF-UHFFFAOYSA-N 355.438 1.096 0 40 FDAB CCCCCn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4004426 SGXJWRAKXCAFPR-AWEZNQCLSA-N 361.490 1.998 0 40 FDAB COc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408563 DSHWTOUMUAYBAM-JKSUJKDBSA-N 352.456 1.165 0 40 FDAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 55701273 HBYIXCBYPJMQGY-AWEZNQCLSA-N 356.488 1.803 0 40 FDAB COc1ccccc1CNC(=O)c1nnn(-c2ccccc2OC)c1N 4984920 NQOBXBWIWQMCGT-UHFFFAOYSA-N 353.382 1.797 0 40 FDAB Cc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 6528723 IUVYIWLUIGNFNB-UHFFFAOYSA-N 359.407 1.892 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1coc(-c2ccc(C)cc2C)n1 44073015 XUZJPYYHEQQUMU-MRXNPFEDSA-N 357.410 1.822 0 40 FDAB Cc1ccc(C(=O)NCCNC(=O)NCCCCn2ccnc2)cc1F 57376678 PLIYKNXEFRSKOQ-UHFFFAOYSA-N 361.421 1.840 0 40 FDAB CCCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57427153 WUBDGYRIAHAOBX-LBPRGKRZSA-N 365.455 1.320 0 40 FDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc21 58202403 LTBMKUMBJMPODX-UHFFFAOYSA-N 366.381 1.680 0 40 FDAB CCN1CCN(CCCNC(=O)c2cc(Br)ccc2O)CC1 58248407 SDAVWBHEPYPGAH-UHFFFAOYSA-N 370.291 1.912 0 40 FDAB O=C(CC[C@H]1CCCO1)NCCC(=O)N1CCN(c2ccccn2)CC1 58305928 QAABLGYPGSITRU-MRXNPFEDSA-N 360.458 1.196 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCc1cc(=O)n2ccccc2n1 10956169 IHMMTUXPEDIQLV-SGTLLEGYSA-N 352.346 1.966 0 40 FDAB CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccccc1 2344349 UNQKDWAXBQZOKQ-UHFFFAOYSA-N 371.422 1.587 0 40 FDAB CCOC(=O)C(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 2319058 OIRFDTVLTDUHMX-UHFFFAOYSA-N 350.327 1.473 0 40 FDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc(Cl)c[nH]2)CC1 25200317 NDLSTZZTSPCUML-UHFFFAOYSA-N 357.794 1.562 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 25507788 MBLWQPZSUHDOGV-UHFFFAOYSA-N 372.446 1.635 0 40 FDAB O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 95457121 WPWAVRMRLUWJGT-CABCVRRESA-N 363.424 1.726 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 11423698 FDUBWHSLWZPEKR-UHFFFAOYSA-N 352.464 1.397 0 40 FDAB COC(=O)c1ccccc1-n1ncc(N2CCC(O)CC2)c(Cl)c1=O 29327819 ZSUVIUMTNBFBKJ-UHFFFAOYSA-N 363.801 1.634 0 40 FDAB C[C@@]1(NC(=O)c2ccc(N3CCCCCC3)nc2)CCS(=O)(=O)C1 29786071 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351.450 1.866 0 40 FDAB Cc1ccoc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14137883 FQPSGTHEGOTJMO-UHFFFAOYSA-N 364.423 1.539 0 40 FDAB CCCCN1C(=O)N[C@](NC(=O)Cc2ccccc2)(C(F)(F)F)C1=O 9419952 HQKKQPOBVKRSCO-HNNXBMFYSA-N 357.332 1.956 0 40 FDAB O=S(=O)(NCC1CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 84380033 FOCNSUFQISKPMM-UHFFFAOYSA-N 372.512 1.986 0 40 FDAB O=C(CSc1ncccn1)NC(=O)NC[C@H]1COc2ccccc2O1 6849678 FTVLIFXTLINGPU-NSHDSACASA-N 360.395 1.235 0 40 FDAB O=C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCN1 9530652 PXRDMNYQTOHRDN-UHFFFAOYSA-N 356.753 1.869 0 40 FDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1 7214981 OEKBUOSKDYEULS-UHFFFAOYSA-N 355.460 1.570 0 40 FDAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1 7247424 QALVPFILSGWDSL-UHFFFAOYSA-N 353.400 1.559 0 40 FDAB CCOC(=O)[C@](NCCc1ccc(OC)cc1)(NC(C)=O)C(F)(F)F 19939250 FZMLMBNJLAKIMO-HNNXBMFYSA-N 362.348 1.785 0 40 FDAB Cc1csc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 22859138 PPROEWPGQQDKDL-UHFFFAOYSA-N 374.466 1.937 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2nnc3ccccc32)cc1 17637956 SAFMRHVMDNADLX-OAHLLOKOSA-N 370.434 1.397 0 40 FDAB CCCNC(=O)CN(C)C(=O)CSc1nc(CC(=O)OCC)cs1 8753882 BUEZBAKGXUTVGD-UHFFFAOYSA-N 373.500 1.325 0 40 FDAB COc1ccc(Nc2nc(NCCCO)nc(N3CCOCC3)n2)cc1 32603965 KZIKVZOPVPBONZ-UHFFFAOYSA-N 360.418 1.255 0 40 FDAB O=C(CCc1cc(F)ccc1F)NC[C@H]1C[C@H](c2nc[nH]n2)C[C@H]1O 527561513 VMWGDFNZBKGKLZ-YWPYICTPSA-N 350.369 1.686 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408658458 KWZJYHOLNHSDHI-RPLLJCPNSA-N 370.405 1.508 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 38717863 ORMRHGJIAHELDP-UHFFFAOYSA-N 367.814 1.242 0 40 FDAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217501058 IKUIALJEYAOLFU-CQSZACIVSA-N 368.455 1.832 0 40 FDAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)cc1 32854864 SYDYZOZTSPDJFO-FMKPAKJESA-N 365.455 1.341 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Br 226686410 KSCBAURHNJTPAC-UHFFFAOYSA-N 352.206 1.251 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccco2)C1 222609709 RTHNLJAOHVLMNP-CYBMUJFWSA-N 360.501 1.691 0 40 FDAB O=C(c1ccsc1)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240938 UGHJLXYBMGMIBX-HNNXBMFYSA-N 364.467 1.476 0 40 FDAB Cc1oncc1C(=O)N1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2C 96199858 PKNKFWPBPVUDHI-OAHLLOKOSA-N 357.414 1.337 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96107344 LOQQBQNHNZYNBB-APWZRJJASA-N 356.426 1.796 0 40 FDAB Cc1ncsc1CN1CCC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 96206954 KNXFYSVCTNUKGG-PBHICJAKSA-N 353.488 1.680 0 40 FDAB COc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2)c1 96215708 JOVHKCITJCZWPZ-SFHVURJKSA-N 367.515 1.790 0 40 FDAB Cn1ccc(C(=O)N2CC[C@H]3[C@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)n1 96209137 DFSFPCXRKKIUDJ-NFAWXSAZSA-N 357.414 1.400 0 40 FDAB Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)n1 96061498 IYDVNEBMWDHQKF-HNNXBMFYSA-N 353.426 1.402 0 40 FDAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238846402 IKUICNXSMWZGLD-GFCCVEGCSA-N 367.327 1.885 0 40 FDAB O=C(c1cccs1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197585 VDHJCFRLJUXREP-UHFFFAOYSA-N 355.423 1.596 0 40 FDAB CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 257236818 HDXGLWAPPWQUEI-IBGZPJMESA-N 351.466 1.219 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257252396 JUQZVJVJRKIVRU-INIZCTEOSA-N 350.382 1.579 0 40 FDAB C[C@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCn2ccnc2)C1 257342536 ZPBRLMLIQZGYGR-IBGZPJMESA-N 362.474 1.445 0 40 FDAB CCc1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)on1 257294245 QTETWZJZAGXKKJ-RDJZCZTQSA-N 351.447 1.313 0 40 FDAB O=C(c1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1)N1CCCC1 252481575 COIKHVMCGMTURS-UHFFFAOYSA-N 352.456 1.504 0 40 FDAB CCN1CN(S(=O)(=O)c2c[nH]c3ncc(Br)cc23)CC1=O 585094232 UUGPFINCVHHYPT-UHFFFAOYSA-N 373.232 1.136 0 40 FDAB COCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)cc1 257228357 FTMZSTLCDRLIJQ-IBGZPJMESA-N 356.426 1.384 0 40 FDAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)c1cc(N2CCOCC2)ncn1 252497461 QINPHKGNMNDOIN-UHFFFAOYSA-N 350.382 1.956 0 40 FDAB COc1cccc([C@H]2Cn3ccnc3CN2C(=O)CN2CCOCC2)c1 257253316 JYKQXUUQSKXHLA-QGZVFWFLSA-N 356.426 1.307 0 40 FDAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)c4cc[nH]n4)CCO3)n2)[nH]n1 257256741 KMSORFUFPAXFOV-CQSZACIVSA-N 353.386 1.794 0 40 FDAB COc1ccc(-c2nc(CN3CCO[C@H](Cn4ccnn4)C3)co2)cc1 639859459 MBHKGWSCHDWWSG-KRWDZBQOSA-N 355.398 1.843 0 40 FDAB Cc1ccc(CN(C(=O)CN2CCC[C@@](O)(CC(N)=O)C2)C2CC2)cc1 643805953 VJGFCNFITJJEKW-HXUWFJFHSA-N 359.470 1.188 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCNC(=O)[C@H]1CC(C)C 647159303 VETZNIVYFKTHSK-MSOLQXFVSA-N 357.454 1.727 0 40 FDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCCC1(F)F 673162624 LDVAKULPTNJEBW-ZYHUDNBSSA-N 356.373 1.557 0 40 FDAB CN1CCN(C(=O)C(=O)NC[C@H]2CC[C@H]3C[C@H]2CO3)[C@@H](c2ccccc2)C1 1262501517 NNFCAQIEZMRCPX-YDZRNGNQSA-N 371.481 1.433 0 40 FDAB Cn1ncc2cc(C(=O)N3CCC([C@@H]4CC[C@H](C(=O)O)O4)CC3)cnc21 1775958087 CBLSDBQBVKZFIZ-LSDHHAIUSA-N 358.398 1.453 0 40 FDAB COc1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(OC)n1 575604313 WIQFDOMRGUOTQB-UHFFFAOYSA-N 358.276 1.717 0 40 FDAB COCCOCC(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O 585105832 RWGIZVXLVQMIII-UHFFFAOYSA-N 360.454 1.473 0 40 FDAB CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 585291406 CHMFEZJXKNCDLR-BTKRWWFXSA-N 353.430 1.792 0 40 FDAB Cc1ncc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)c(C)n1 585278428 SSFQVCIFQJGXGW-IBGZPJMESA-N 359.401 1.679 0 40 FDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 69453168 PHPNTQQKHWYLMT-KBPBESRZSA-N 373.482 1.887 0 40 FDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ncc(Br)cn2)CC1 46065142 KSUWYZYJMQWVJX-NSHDSACASA-N 356.268 1.274 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nncn4n3)C2)s1 952985899 BTXRRDGFUVACKI-UHFFFAOYSA-N 364.456 1.004 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c(OC)c1 5000057 ZWRNXFUEQWQOGC-UHFFFAOYSA-N 369.377 1.356 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859026 MTFGXXOIFDMLDH-BREBYQMCSA-N 350.268 1.610 0 40 FDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12804646 KQVPWJBJKARGJP-UHFFFAOYSA-N 360.757 1.887 0 40 FDAB CCOC(=O)[C@@H](C(=O)C(F)(F)F)[C@H](NC(N)=S)c1ccsc1 13464148 KJHDTGFPBYGSCW-HTQZYQBOSA-N 354.375 1.933 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H]1CCN(Cc2ccccc2)C1 14199262 FBUXQLOECCHKRZ-MRXNPFEDSA-N 362.433 1.856 0 40 FDAB C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)C1CC1 19750783 OYTGLUCDFLPOLI-CYBMUJFWSA-N 371.412 1.832 0 40 FDAB CCOc1ccc(-c2nc(Cn3nnc4c(cnn4C)c3=O)co2)cc1 160043249 MXPIWBYPSVSIEG-UHFFFAOYSA-N 352.354 1.627 0 40 FDAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccc(O)c(OC)c3)C2=O)o1 8206980 OCRSTLIVUOCYHF-KPKJPENVSA-N 372.333 1.873 0 40 FDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 225463589 NPEPQPOHKRIFOF-CABCVRRESA-N 366.487 1.413 0 40 FDAB Nc1ncccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585925 DATHTCVCBCYIEN-VVFCZOMOSA-N 357.385 1.563 0 40 FDAB Cn1cc([C@@H](O)C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cn1 1653503083 BJRHTRWEFYCPPI-QGZVFWFLSA-N 372.812 1.956 0 40 FDAB COc1ccc([C@H]2SCC(=O)N2CCN2CCOCC2)cc1OC 19898654 QBZGLGVBBVJIQL-QGZVFWFLSA-N 352.456 1.610 0 40 FDAB O=C(c1cnn[nH]1)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888909585 BTGNQYUUJHRNQV-HUUCEWRRSA-N 361.409 1.470 0 40 FDAB Cc1cnc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)nc1 1888930470 MYOCSTDUQYYGPW-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(N(C)C)n1 1889091601 QNAUUGIPYMZGAM-UHFFFAOYSA-N 353.474 1.846 0 40 FDAB O=C1COC[C@]2(CN(Cc3cncnc3)CCO2)CN1c1ccccc1 2037980752 HJKZALPJJYJPBC-IBGZPJMESA-N 354.410 1.111 0 40 FDAB CCc1ccc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cn1 1614935187 UEJYYLXWWAITFT-LJQANCHMSA-N 353.426 1.647 0 40 FDAB CCc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)cn1 1565551819 SOBBALRPHRSVRS-RCCFBDPRSA-N 357.454 1.744 0 40 FDAB O=C(CCc1cncnc1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 1565543468 MJWXOWQQKFZLCP-GVDBMIGSSA-N 358.442 1.038 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(CCCN(Cc3ccccn3)C2)C1 1565547437 IXEJIMILQSFZMR-DOADOZAASA-N 357.454 1.167 0 40 FDAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C 4329668 DVOAONPXYWJAAF-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB COc1cccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)c1 5222011 WTYYOKNACLCCSV-GFCCVEGCSA-N 364.398 1.918 0 40 FDAB CCN1C[C@]2(COCCN(C(=O)c3cc4ccccc4n3C)C2)OCC1=O 2055781416 BUKOFIWMRMLCEI-FQEVSTJZSA-N 371.437 1.268 0 40 FDAB C[C@H]1Cc2c(NC(=O)/C=C\c3ccc4c(c3)OCO4)nn(C)c2NC1=O 35597730 NWAXOLZVGPMUSF-OAQKJQOQSA-N 354.366 1.931 0 40 FDAB O=C(Cc1ccccc1)NCCn1ncc2c(N3CCCC3)ncnc21 38483514 YFDROAJUUMVLSP-UHFFFAOYSA-N 350.426 1.785 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cccc(OC(F)(F)F)c1 575619075 GIXKLUQJOPBJNI-UHFFFAOYSA-N 374.315 1.481 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032376 YSEPCNVEUBRNBY-GJZGRUSLSA-N 368.430 1.010 0 40 FDAB COc1ccc(OC)c2sc(N3CC(C(=O)N4CCOCC4)C3)nc12 2298219181 SQOIBBSODLXHNY-UHFFFAOYSA-N 363.439 1.609 0 40 FDAB CCOC(=O)c1c(SCC(=O)N2CCc3ccccc32)nc(=O)[nH]c1C 4317609 QKODWRIRRLXLHG-UHFFFAOYSA-N 373.434 1.936 0 40 FDAB COCCOc1ccc(CNC(=O)c2csc(-c3cnn(C)c3)n2)cn1 40145420 CVUGHSROLJJYNI-UHFFFAOYSA-N 373.438 1.894 0 40 FDAB CC(C)CCNC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451329 LSRFBPANSKCLFN-UHFFFAOYSA-N 372.347 1.276 0 40 FDAB COC(=O)c1cc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)ccc1F 31540225 CPXXEOAFMSUTHX-UHFFFAOYSA-N 357.345 1.848 0 40 FDAB COc1cc(C(=O)NCCCCN2CCOCC2)cc(OC)c1OC 41564336 UOCBOXDBANWLRR-UHFFFAOYSA-N 352.431 1.555 0 40 FDAB CS(=O)(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 24926165 AHVWOPTYCGKEFD-UHFFFAOYSA-N 365.499 1.390 0 40 FDAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)NC(N)=O 9949454 VEFGTJQAMZNBGS-SECBINFHSA-N 351.457 1.868 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc2ccccc2c1 25032609 ZAIVROJTGFFSBM-MRXNPFEDSA-N 356.378 1.109 0 40 FDAB CNC(=O)COc1ccc(CNC(=O)c2cn3c(C)cccc3n2)cc1 55857117 JORAPXHYQNTXAV-UHFFFAOYSA-N 352.394 1.698 0 40 FDAB CCOc1cc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)ccc1O 4908598 BZSJGXXUXHBPLL-QIIPPGSGSA-N 362.382 1.448 0 40 FDAB COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1 4934718 ONXHWFAJQFSBGZ-UHFFFAOYSA-N 367.409 1.856 0 40 FDAB aggregator O=C(Cn1cnc2ccsc2c1=O)NC[C@H]1COc2ccccc2O1 8327564 CGGCBVZKFGWGRP-NSHDSACASA-N 357.391 1.414 0 40 FDAB CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C1(C)C 108375993 QMMHCRCDXOEHQA-DURYJLSESA-N 373.475 1.134 0 40 FDAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100754105 YXWLIIPQFFNQOL-BBRMVZONSA-N 369.425 1.820 0 40 FDAB CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2cccs2)CC1 26911917 MHNFXGIEBULKPG-UHFFFAOYSA-N 353.488 1.960 0 40 FDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCc1ccco1 57842427 MRPJJAKAMWYLHJ-GFCCVEGCSA-N 351.428 1.236 0 40 FDAB COCc1ccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)o1 108999748 DTPMSYXWYIJVPH-UHFFFAOYSA-N 363.458 1.442 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36366477 RCEKWMMIXCIETJ-ZDUSSCGKSA-N 353.378 1.947 0 40 FDAB CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)NC[C@H]3CCCO3)c2n1 36621405 ZEHLZFQBBWLGJN-LLVKDONJSA-N 368.384 1.841 0 40 FDAB CCCn1c(=O)n(CC(=O)NCc2nnc3n2CCC3)c2ccccc21 48288781 KAIWDEGCJOWLBA-UHFFFAOYSA-N 354.414 1.067 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC[C@H]1CCCO1 3420735 PODGVWGIDQSUKP-AUUYWEPGSA-N 357.410 1.065 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1 13001708 SQFMHBKZRJROEH-MRXNPFEDSA-N 374.418 1.074 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 13687130 WPJNDEFJHLPGHX-UHFFFAOYSA-N 372.406 1.426 0 40 FDAB CS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 65533833 YOBFHWCNRRQUGW-QGZVFWFLSA-N 372.446 1.794 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 14119007 PVRAEKCUDQRZPB-UHFFFAOYSA-N 365.455 1.189 0 40 FDAB COC(=O)c1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC)cc1 4649795 VJSBWJNRJPOCLH-DFHBCGBQSA-N 360.366 1.130 0 40 FDAB c1ccc(OCC[C@@H]2CCOC23CN(c2ccc4nncn4n2)C3)nc1 306139617 TVXBYLXGSLIEOK-CQSZACIVSA-N 352.398 1.584 0 40 FDAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 15699799 OHFUABOMJAHLFA-VIFPVBQESA-N 363.395 1.825 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2OC)c2ccccc2O1 7826116 USSONGJOGRXFBE-QGZVFWFLSA-N 356.378 1.614 0 40 FDAB Cc1cc(NC(=O)CNc2ccccc2C(=O)NC[C@H]2CCCO2)no1 8156645 ORQDLYXFUWBNMG-CYBMUJFWSA-N 358.398 1.942 0 40 FDAB CO[C@H](C(=O)N1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1 82120280 ZRHWJRCGRRRWPE-SFHVURJKSA-N 358.442 1.476 0 40 FDAB COc1cc(NC(=O)CNC(=O)C(=O)NCc2ccccc2)cc(OC)c1 69923831 OBORJVSDVDCNBA-UHFFFAOYSA-N 371.393 1.075 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nc2ccccc2s1 8994092 BGCUUAANJLBMKF-UHFFFAOYSA-N 352.375 1.938 0 40 FDAB COCCS(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 72273684 OVGYFODYHKYEGI-UHFFFAOYSA-N 352.456 1.519 0 40 FDAB O=C1CC(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC(=O)N1 95957435 HMSKIUZMQUPNSB-UHFFFAOYSA-N 370.365 1.517 0 40 FDAB COc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224228010 VEYYBRQQLOSZNE-UHFFFAOYSA-N 357.414 1.952 0 40 FDAB O=C(c1cnccn1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 22956733 ASHWHFBKGXVVJG-CYBMUJFWSA-N 365.393 1.535 0 40 FDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnco2)c1 24735565 PVJDADCKOSIPOZ-UHFFFAOYSA-N 369.381 1.930 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 62022713 UHYUAUNARHLWOK-AWEZNQCLSA-N 352.398 1.788 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NC[C@@H]1CCCO1 409171874 CHZJMZUEPDRIPV-JTQLQIEISA-N 367.254 1.567 0 40 FDAB CCOC(=O)Cn1nnnc1[C@H](C(C)C)N1CCN(c2ccccc2)CC1 35310719 QFLVSHPIHGKBMV-SFHVURJKSA-N 372.473 1.756 0 40 FDAB CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3ccc4c(c3)CCO4)c2C1 558945663 GBGYCNLWHVAAAR-OAHLLOKOSA-N 368.437 1.447 0 40 FDAB COC(=O)CCNC(=O)CCNC(=O)Cc1coc2cc(C)c(C)cc12 72427711 JECGIYBZMFSCSC-UHFFFAOYSA-N 360.410 1.778 0 40 FDAB COCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 223215473 SMGYSZPEQMHXLM-QINSGFPZSA-N 374.393 1.830 0 40 FDAB CN1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)CC1 224253562 RYXVFTBFVULXCF-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB CNC(=O)CN1CCC2(CC1)CN(C[C@H]1CCCO1)C(=O)c1ccccc12 96080092 HMZYWILPFHWHOY-MRXNPFEDSA-N 371.481 1.401 0 40 FDAB C[C@@H]1CN(S(=O)(=O)C2CC2)CC[C@@]12CC[C@H](C(=O)N1CCCC1)O2 96087387 AKQOZVKNUIURLE-UNEWFSDZSA-N 356.488 1.361 0 40 FDAB Cn1ccnc1CN(C(=O)COC[C@H]1CCCO1)[C@@H]1CC12CCNCC2 582885092 NTYFSJBNWLLWTK-HZPDHXFCSA-N 362.474 1.086 0 40 FDAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C(=O)CC2CC2)C1 96244606 GVDJYVBZBVZNGU-HXUWFJFHSA-N 372.469 1.422 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101381 PSTXTNUXOQBKLG-IDHHARJASA-N 359.426 1.800 0 40 FDAB CC(=O)N1C[C@]2(CO[C@H](C(=O)NCCc3cccnc3)C2)c2ccccc21 96144479 OIVSCXTWFRERDL-PZJWPPBQSA-N 365.433 1.834 0 40 FDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2cncs2)C1 257250994 JOXRSEWGQYMOJQ-SNVBAGLBSA-N 354.457 1.365 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)c4ccccn4)C3)ccnc12 257241298 HXNUYPXJVLFLCL-ZDUSSCGKSA-N 364.409 1.504 0 40 FDAB Cc1nc(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cs1 252511290 ZWYNVIHWTVUXJQ-UHFFFAOYSA-N 353.425 1.569 0 40 FDAB Cc1ncc(CNC(=O)CN2CCCCCC2=O)c([C@@H]2CCCN2C)n1 257264169 LTFBTTOMZJGQGM-INIZCTEOSA-N 359.474 1.571 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257224214 FATIJAHBIMGVBT-RDJZCZTQSA-N 369.462 1.588 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)C 257229308 FXOWJWNOLUTKDM-MRXNPFEDSA-N 358.442 1.457 0 40 FDAB Cc1ccnc([C@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 257312573 UOOYTPIKCPFTKW-QGZVFWFLSA-N 355.442 1.602 0 40 FDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CCc2c(C)noc2C)n1 257219411 DGRGIYQXKLFGJT-OAHLLOKOSA-N 359.430 1.964 0 40 FDAB CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CCCc2ccc(OC)cc21 1685793121 WXOGHLRBKLBPQL-BBRMVZONSA-N 369.487 1.700 0 40 FDAB CCn1nnc2c(N3CC(C(=O)Nc4cc(C)ccc4OC)C3)ncnc21 96096790 PWTPYGKOTUORLO-UHFFFAOYSA-N 367.413 1.633 0 40 FDAB COC(=O)c1cnn(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1 599229762 ZOVIGKKANAUYSD-UHFFFAOYSA-N 370.409 1.853 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585275932 BFBSFKLLWPJBSF-IBGZPJMESA-N 359.401 1.872 0 40 FDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ccc(N(C)C)nc3)CCO2)c1 585279666 WWXSBDOALLTFBK-NRFANRHFSA-N 369.465 1.902 0 40 FDAB Cc1cccc(C(=O)NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)c1 685942850 RNTOKCPGYSQNOZ-ARFHVFGLSA-N 356.426 1.401 0 40 FDAB C[C@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccc(F)cc1 35310649 MEPVYPSPSQCJMH-SCLBCKFNSA-N 355.413 1.915 0 40 FDAB O=C(c1ncc[nH]c1=O)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995157 FUGXWVLSPRKYGU-UHFFFAOYSA-N 369.425 1.370 0 40 FDAB NC(=O)Cc1ccc(N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 55119400 AHSCPFJTOKRTJP-QGZVFWFLSA-N 369.396 1.636 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 1615161444 XSGHMDPHHXHACX-LJQANCHMSA-N 354.410 1.458 0 40 FDAB CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](c2ccco2)NS(=O)(=O)N1C 12130051 SVUWAVBEUMTSMP-LSDHHAIUSA-N 363.439 1.518 0 40 FDAB Cn1nnc2c(N3CCN(C(=O)c4ccccc4Cl)CC3)ncnc21 13532510 TZKIOSIYZGIHKY-UHFFFAOYSA-N 357.805 1.374 0 40 FDAB C[C@@H](C(=O)NCCCN1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13673518 GYCJMOUZGBWARV-INIZCTEOSA-N 367.515 1.833 0 40 FDAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2ccno2)cnn1-c1ccccc1 19374444 NBMLTJUKAWCWQY-AWEZNQCLSA-N 351.366 1.930 0 40 FDAB COc1cccc(C(=O)N2CCC[C@H](c3nnc4n3CCNCC4)C2)c1 19709266 YRAODNXYHTVAGV-HNNXBMFYSA-N 355.442 1.452 0 40 FDAB Cn1nc2c(c1C(=O)N1CCO[C@](C)(C(=O)NC3CCCC3)C1)CCCC2 19746941 MYZYXKPKMAJEOQ-FQEVSTJZSA-N 374.485 1.589 0 40 FDAB Cc1nc([C@H]2CCCCN2C2CCOCC2)ncc1C(=O)N1CCOCC1 19751822 WNRVSKKCRRMDBE-GOSISDBHSA-N 374.485 1.963 0 40 FDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NC[C@@H]1CCCO1 225550106 NUHZZBIWYUCWAE-ZDUSSCGKSA-N 369.443 1.536 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccnc2)C1 4057121 NHDMSQKMSJNLFQ-CYBMUJFWSA-N 364.427 1.726 0 40 FDAB C[C@H]1C[C@H](C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 13040325 XXQCWQLDWWSACD-GJZGRUSLSA-N 352.504 1.500 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 24689766 MZVAYWVQGXFPEY-LLVKDONJSA-N 362.854 1.952 0 40 FDAB O=S(=O)(NC[C@](O)(c1ccoc1)c1cccs1)c1cccnc1 244970206 HNZBHDBKZMDVGP-HNNXBMFYSA-N 350.421 1.951 0 40 FDAB O=C1COC[C@@]2(CN(Cc3ccccn3)CCO2)CN1c1ccccc1 2037978268 MEEDPLCTNUMRIY-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB COc1cnc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 2056223411 KCOHNUWOOFGQPQ-LJQANCHMSA-N 368.441 1.798 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1csnn1)C2 1614937892 SRWSIBOFWUBMNZ-OAHLLOKOSA-N 363.468 1.163 0 40 FDAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(CCn4nccn4)[C@H]3C2)c1 2087122276 QBOJUMRIKDFXCH-JSGCOSHPSA-N 352.364 1.903 0 40 FDAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 1565554116 KKZFMSXVPNXJCO-GOSISDBHSA-N 353.382 1.800 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]32)cs1 1565544820 SLDNQQXIJXDYMS-KGLIPLIRSA-N 357.426 1.908 0 40 FDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495984 KLRHCGMCXQQKSN-CYBMUJFWSA-N 371.368 1.844 0 40 FDAB CCN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21 22732737 PMYAGJUKXBPKCW-KRWDZBQOSA-N 359.470 1.413 0 40 FDAB Cc1nnsc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38947022 XUOCHQXDGWTZQM-NEPJUHHUSA-N 362.480 1.996 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cn1 575610796 AVLWHKSNUXDREP-QGZVFWFLSA-N 365.455 1.013 0 40 FDAB COc1cc(CNC(=O)Cn2nc(C)cc2C)ccc1OCC(=O)N(C)C 40106850 GTYFCMXTCOQZBN-UHFFFAOYSA-N 374.441 1.292 0 40 FDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 32442948 NKDBULAAOAICBD-UHFFFAOYSA-N 354.428 1.387 0 40 FDAB COc1ccc(CNC(=O)c2nn(-c3ccccc3F)nc2CO)cc1 21149073 AHESZRFKNBCWPZ-UHFFFAOYSA-N 356.357 1.837 0 40 FDAB NC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 21448616 OSEFZWWJSYUFBU-HKUYNNGSSA-N 366.417 1.847 0 40 FDAB COc1cc(Br)c(OC)c(C(=O)N2CCN(C(C)=O)CC2)c1 32901455 PTLKEBLOUHYDMR-UHFFFAOYSA-N 371.231 1.771 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCCC1 102770454 BFSJUKQTWLTOME-DSIZOQBWSA-N 374.437 1.176 0 40 FDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(OC)c2)c1 53868165 GCMKLMZTZOFISC-UHFFFAOYSA-N 357.362 1.955 0 40 FDAB O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1ccccn1 2501583 OUCLTTFLTHZOSI-UHFFFAOYSA-N 368.418 1.625 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCc4cc(Cl)ccc43)cnc21 55734626 YPLJSJPGDYOMCV-AWEZNQCLSA-N 357.801 1.587 0 40 FDAB Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1C 4720914 LUAJMPQKLHGVMY-YJMBLLCNSA-N 374.477 1.488 0 40 FDAB C[C@@H](NC(N)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 56252946 VXDUYNRLXZLKGE-LLVKDONJSA-N 373.375 1.927 0 40 FDAB CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NS(C)(=O)=O 10382185 XSKDBWOGNSVZBD-UHFFFAOYSA-N 353.404 1.136 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)NCC12CC3CC(CC(C3)C1)C2 57290120 QCPCLFDTZPESMJ-UHFFFAOYSA-N 369.513 1.931 0 40 FDAB Cc1nn(CCC(=O)NCCN2CCOCC2)c(C)c1Br 27969255 AKGLCZWULITIHC-UHFFFAOYSA-N 359.268 1.101 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2094518 SYUDRJAFDXATKU-ZACQAIPSSA-N 370.449 1.716 0 40 FDAB biogenic CN(C)S(=O)(=O)c1ccc2oc(SCc3nccc[n+]3[O-])nc2c1 58159199 AAMXWYIDLJHJRA-UHFFFAOYSA-N 366.424 1.399 0 40 FDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCC(C)CC1 58218417 LVEOEDHRCSJWQS-UHFFFAOYSA-N 353.488 1.413 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 28207872 GIMRBDWFSLKDHS-UHFFFAOYSA-N 372.830 1.879 0 40 FDAB COc1ccnc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 11008614 KULSDUITHBXLJF-LBPRGKRZSA-N 355.398 1.685 0 40 FDAB CCc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11559939 ZFYZTBAGRKKNGZ-GFCCVEGCSA-N 368.393 1.507 0 40 FDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 46109042 ODJAGHBUGDPKOH-SECBINFHSA-N 359.831 1.693 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)c(C)c1 24688737 LONAIGUXDBMFGV-UHFFFAOYSA-N 367.515 1.396 0 40 FDAB O=C1O[C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)Cc2ccccc21 46422522 NWGGMDGJHCUOIA-GOEBONIOSA-N 352.394 1.343 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1ccccc1 102149482 RSCGGEJUXVCNAR-UJWMZTGESA-N 350.418 1.746 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccccc1OC 2624918 YTOKDZGMHOHEDN-INIZCTEOSA-N 352.475 1.809 0 40 FDAB Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)Nc1nc2c(s1)CCCCC2 100770263 CEKAKIDMXYIFJO-UHFFFAOYSA-N 372.454 1.941 0 40 FDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 46831766 ZRRWTQWLYIPOSU-SFHVURJKSA-N 357.454 1.158 0 40 FDAB CCN1CCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 22037432 GBPSMZOVQPUGMC-INIZCTEOSA-N 371.485 1.449 0 40 FDAB O=C(Cn1nc2ccccn2c1=O)NCCc1nc2c(s1)CCCC2 84606591 LTOIWMDSVOTBEB-UHFFFAOYSA-N 357.439 1.190 0 40 FDAB COc1ccccc1NC(=O)[C@@H](O)[C@@H](O)C(=O)Nc1ccccc1OC 13150490 CVKQGYZPPOLIEB-IYBDPMFKSA-N 360.366 1.003 0 40 FDAB CCc1nc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cs1 96000203 OTKPQNQLOCKOLM-UHFFFAOYSA-N 365.480 1.650 0 40 FDAB CCN(CC)CCn1c(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc21 49765558 QFENOXIBBFRYKZ-UHFFFAOYSA-N 368.441 1.724 0 40 FDAB C[C@@H](C(=O)NCCC1=CCCCC1)n1cnc2c1c(=O)n(C)c(=O)n2C 6033808 DWGGLRQYAVMJCD-LBPRGKRZSA-N 359.430 1.001 0 40 FDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1 5060979 DSGOBNNBWJXQPU-UHFFFAOYSA-N 358.350 1.372 0 40 FDAB CC1CCN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)CC1 4486764 NQJVUCXNPXJXJE-UHFFFAOYSA-N 354.428 1.473 0 40 FDAB CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 14093173 WANFGDDCYOSWCL-INIZCTEOSA-N 364.398 1.870 0 40 FDAB CCCNC(=O)C(=O)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 9338712 ROIJECGRSGQGNW-UHFFFAOYSA-N 360.458 1.648 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1OC 6672220 PBTPESWEONGJDC-WCQYABFASA-N 356.469 1.799 0 40 FDAB CC(C)SC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 9418380 ZTPCUFKNBYJAQN-NEPJUHHUSA-N 354.453 1.899 0 40 FDAB CCC(C)(C)NC(=O)CONC(=N)[C@@H]1COCCN1C(=O)OC(C)(C)C 95449562 DVUOAUPZULVSHZ-LBPRGKRZSA-N 372.466 1.426 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1O 7338679 ACIHYGXJEVOJHC-UHFFFAOYSA-N 374.418 1.595 0 40 FDAB Cn1ncc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 8706006 YRBQHEFYJOVKOW-UHFFFAOYSA-N 352.398 1.414 0 40 FDAB C[C@@H]1NC(C(=O)N[C@H]2CCCCC[C@@H]2CO)=NN(c2ccccc2)C1=O 89919826 AYEUOORFKUQZBW-LZWOXQAQSA-N 358.442 1.382 0 40 FDAB c1cc(COCC[C@H]2CCOC23CN(c2ccc4nncn4n2)C3)ccn1 306131971 KUFOODXHORWTDI-INIZCTEOSA-N 366.425 1.722 0 40 FDAB CN(C)C(=O)CN1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1 72358880 SCZJQULQKISDJS-MRXNPFEDSA-N 367.453 1.510 0 40 FDAB Nc1nnc2nc(CC(=O)c3ccccc3)/c(=C/C(=O)c3ccccc3)n12 31772527 PLXMGOVXSKQRMT-VBKFSLOCSA-N 357.373 1.514 0 40 FDAB Cc1nn(C)cc1CNC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 28234409 UQDXNQFBYRIBHE-UHFFFAOYSA-N 361.837 1.828 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1 61717813 JCQFUZQOQADRPC-HNNXBMFYSA-N 353.426 1.940 0 40 FDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(N2CCN(C)CC2)cn1 124215810 LBVYTCCGJUHAMI-UHFFFAOYSA-N 358.446 1.201 0 40 FDAB O=C(Cc1ccccc1Cl)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 39558584 DGGVSWOEMDRKSK-UHFFFAOYSA-N 358.785 1.807 0 40 FDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218110978 PBJGCISNFYSCRO-ZWKOTPCHSA-N 362.447 1.914 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCc2nc3ccccc3s2)C[C@@H](C)O1 73437789 ZSGVCNINFIWTBZ-TXEJJXNPSA-N 355.485 1.782 0 40 FDAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCCO)n2)cc1 32072121 TXMSLBFRJKPCHJ-UHFFFAOYSA-N 371.349 1.299 0 40 FDAB COCCn1ccc2c(NC(=O)CNC(=O)c3cnccn3)cccc21 72402517 JGRSRLJLOWBFCE-UHFFFAOYSA-N 353.382 1.446 0 40 FDAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 44379216 AIICTNVPVPNSDQ-GXTWGEPZSA-N 368.455 1.307 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2nc(C)cs2)cc1C 226743864 FCMZWAOZPSROES-UHFFFAOYSA-N 369.468 1.363 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 248051687 XPHBOXLEDQHGRG-OAHLLOKOSA-N 362.426 1.254 0 40 FDAB Cc1cc(N2CC[C@@](O)(CNC(=O)CCCC(=O)O)C2)c2cnccc2n1 257328356 XFGSEOBMIDXMKW-LJQANCHMSA-N 372.425 1.251 0 40 FDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc(C)n3nccc3n2)CC1 257260106 LBHXLWJZBWRLMS-QGZVFWFLSA-N 355.442 1.755 0 40 FDAB CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)O)cc1 279752239 LFUAMLLJXBUBJB-RHSMWYFYSA-N 368.499 1.892 0 40 FDAB O=C1[C@@H]2Nc3nc(N4CCCCC4)nc(O)c3[C@H]2C(=O)N1c1ccccc1 618257481 XIXUVUSILNNJTF-TZMCWYRMSA-N 365.393 1.624 0 40 FDAB CCOCc1cc(CN2CCC[C@](O)(CC(=O)NC)C2)ccc1OC 643756587 YIKMNVNBILUFMI-IBGZPJMESA-N 350.459 1.695 0 40 FDAB Cc1nc(CN(C)C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)no1 644418981 RVQSSTGVXFOVJP-LJQANCHMSA-N 358.442 1.754 0 40 FDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1S(=O)(=O)CCC1CCCCC1 1615590950 NDECXORZZGEIJA-JYJNAYRXSA-N 358.504 1.607 0 40 FDAB COCCn1ccc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n1 575405087 RXHOYBRNJQFNHI-OAHLLOKOSA-N 374.466 1.704 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21 585112551 RCQNKVXUTYUPPK-ZDUSSCGKSA-N 372.853 1.782 0 40 FDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)[C@@H]1Cc3ccccc3O1)CC2 585096429 NDXSFCAXFYGIOD-DYVFJYSZSA-N 368.437 1.928 0 40 FDAB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 5975439 JEQVPLRARQDKGG-LFIBNONCSA-N 350.330 1.954 0 40 FDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)c2cccnc2n1 13228039 IGWPNOCVTBWZPR-ZIAGYGMSSA-N 374.466 1.474 0 40 FDAB O=C(Cc1ccc2c(c1)OCO2)NCCn1nc2c(cc1=O)CCCCC2 19345727 NOECPJLCEKZHHL-UHFFFAOYSA-N 369.421 1.600 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 19739082 SGZJBVVFBGNNBB-MRXNPFEDSA-N 368.485 1.505 0 40 FDAB CNc1cc(CN(C)C(=O)Cc2csc(C)n2)nc([C@H]2CCCN2)n1 19759914 IIJNSOSXTBWCKJ-CQSZACIVSA-N 360.487 1.909 0 40 FDAB Cc1ccc([C@H]2N=C(NC[C@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 104138209 CSKUUUAXGAGGTK-WBVHZDCISA-N 353.426 1.957 0 40 FDAB C[C@@H]1Cc2cc(-c3cc(CC(=O)N4CCC(C(N)=O)CC4)no3)ccc2O1 35592885 ZCSVKSXMEHSRLK-GFCCVEGCSA-N 369.421 1.931 0 40 FDAB Cc1oncc1CN1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1 1888869465 XOZXILMWOYULCV-ROUUACIJSA-N 361.467 1.877 0 40 FDAB COCCN1C(=O)CN(C2CCN(c3cnc4ccccc4n3)CC2)C1=O 1888875617 UFCIHEUHCLHEFI-UHFFFAOYSA-N 369.425 1.509 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1cc(F)c(F)cc1F)CCO2 2037983667 BQXSSBHWWKISOY-GOSISDBHSA-N 372.387 1.942 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)Cn3ncccc3=O)C[C@H]2c2ccccc2)n1 253473200 SOJFTNGBWUAPCW-JKSUJKDBSA-N 365.393 1.345 0 40 FDAB O=c1ccc(N2CCN(c3ncc(F)cn3)CC2)nn1Cc1ccccc1 2086992646 ZNXLTPMWZZALQI-UHFFFAOYSA-N 366.400 1.547 0 40 FDAB CC(C)Cc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 4271714 BVRIOPXRFVQQOS-UHFFFAOYSA-N 371.466 1.913 0 40 FDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 4524327 VCENDNXOYISHKH-LKFCYVNXSA-N 355.272 1.086 0 40 FDAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)C(=O)NC1CCCC1 5250729 XMWAFYAGWZLMHR-UHFFFAOYSA-N 365.455 1.614 0 40 FDAB Cc1cc(C)c(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)c(C)c1 11693983 FSVZGDSKUUKRHU-UHFFFAOYSA-N 371.397 1.187 0 40 FDAB CCc1nnc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)s1 13701959 KVPKQWJXBFRUEY-UHFFFAOYSA-N 364.456 1.970 0 40 FDAB O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@H](c2ccccc2)C1 16847441 IXUJGFHMJJDMAO-KRWDZBQOSA-N 360.435 1.565 0 40 FDAB O=C(CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O 29133315 HMTXKMLDWQXOBR-VIFPVBQESA-N 358.259 1.246 0 40 FDAB COCCn1/c(=N/C(=O)C2CC2)sc2cc(S(C)(=O)=O)ccc21 100872828 UMJOARSVMBJJPP-NXVVXOECSA-N 354.453 1.590 0 40 FDAB CCn1cnc2c(N3C[C@@H]4CN(c5ccnc(C)n5)C[C@@H]4C3)ncnc21 2086865243 ZQPCIKPSEBZDIH-OKILXGFUSA-N 350.430 1.517 0 40 FDAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1[C@@H]1CCS(=O)(=O)C1 6345170 PICKYUFUJNEXMX-MEBBXXQBSA-N 359.407 1.044 0 40 FDAB biogenic CCOC(=O)N1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 40120611 YXUVTDMJZZKBAL-UHFFFAOYSA-N 359.390 1.277 0 40 FDAB CCS(=O)(=O)NCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 40151314 GTSVGAPZARHXRU-UHFFFAOYSA-N 355.460 1.939 0 40 FDAB CCOC(=O)c1nc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cs1 40154104 GKNBOPMUGWJQDN-NSHDSACASA-N 361.489 1.081 0 40 FDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCCCn4ccnc4)C3)nn12 31811133 PRWNBJFQHZBONH-HNNXBMFYSA-N 368.445 1.052 0 40 FDAB O=c1nc(NCCCN2CCOCC2)[nH]nc1Cc1ccc(Cl)cc1 20624082 FOSZRUQUDKYWAF-UHFFFAOYSA-N 363.849 1.543 0 40 FDAB COc1ccc(OCCCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 21473628 WDHHUZXRFFWDJE-UHFFFAOYSA-N 361.398 1.055 0 40 FDAB Cn1c(SCc2nc(C(C)(C)C)no2)nnc1[C@H]1CCS(=O)(=O)C1 32908885 BIUUTZACHFFJBI-VIFPVBQESA-N 371.488 1.690 0 40 FDAB CC(=O)Nc1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1 33324533 HJEAWSQKUMKPMA-UHFFFAOYSA-N 363.377 1.902 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 41776438 JUTVGZXWCOVODT-UHFFFAOYSA-N 354.454 1.252 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 810376 FUMCKRUUMLCKOY-UHFFFAOYSA-N 362.407 1.498 0 40 FDAB CC[C@H]1Oc2cc([C@H](C)NC(=O)NCc3nncn3CC)ccc2NC1=O 78953529 FUQCKERHGNNKGX-SMDDNHRTSA-N 372.429 1.968 0 40 FDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 24888392 JWGREDZLNCBVSX-UHFFFAOYSA-N 358.383 1.286 0 40 FDAB CCOc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 4361485 QQELCMYFWLKFDG-NSHDSACASA-N 362.382 1.530 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4906329 NVVNHYDQXQRFEH-KNDBQHFLSA-N 356.400 1.478 0 40 FDAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c1 7581338 ZODGLEJHMXCXBV-UHFFFAOYSA-N 373.361 1.608 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683738 HDXUYBQLEMAVOH-AWEZNQCLSA-N 360.863 1.646 0 40 FDAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1 8037456 WDSBNTQWCWJGFG-CYBMUJFWSA-N 357.366 1.826 0 40 FDAB CCCCNC(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 8185535 DPZPHFQVTRMKNZ-UHFFFAOYSA-N 355.508 1.779 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1ccccc1 25873254 AWYQZALKWRGCID-UHFFFAOYSA-N 351.428 1.220 0 40 FDAB CCCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 57766706 GNUMCNJTWSDGRN-CYBMUJFWSA-N 369.439 1.506 0 40 FDAB CCOC(=O)Nc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 44605347 NZWQXQZWBDYNNA-UHFFFAOYSA-N 369.443 1.865 0 40 FDAB NC(=O)NC(=O)CCN1CCC[C@@H]1C1CCN(Cc2ccccc2)CC1 58008142 BOQRRDGCEHORNG-GOSISDBHSA-N 358.486 1.948 0 40 FDAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 58185873 MZRSSKXLAWYCME-QGZVFWFLSA-N 372.381 1.862 0 40 FDAB CCCc1n[nH]c(SCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 58171702 DLCWEJVJTPZYAM-UHFFFAOYSA-N 369.491 1.929 0 40 FDAB C[C@H](CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 58181647 NNYZYWIYVQWLAJ-CYBMUJFWSA-N 368.480 1.806 0 40 FDAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1 58267256 AZWYKPURHQXJAX-UHFFFAOYSA-N 373.478 1.517 0 40 FDAB COC(=O)c1cccnc1C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 95445141 WGLCGTDSDJFMSL-CYBMUJFWSA-N 361.442 1.881 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 27906915 CWFUVWDXRYJATH-KRWDZBQOSA-N 360.435 1.808 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1 36392137 KMRUPMAOIRRNBV-UHFFFAOYSA-N 367.515 1.990 0 40 FDAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1C(=O)O 3230498 GFFZIKLJOXAWBJ-UHFFFAOYSA-N 362.407 1.912 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(F)cc1)C2=O 2619772 UZJVJQJZOKBZNE-ORAYPTAESA-N 361.417 1.985 0 40 FDAB C[C@H](C(=O)N1CCN(C=O)CC1)N1c2cccc3cccc(c23)S1(=O)=O 10284347 SHTNLLYZIQPKGH-CYBMUJFWSA-N 373.434 1.038 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(S(C)(=O)=O)cc1 12796328 FCTQRTUIBWBKTR-LLVKDONJSA-N 374.418 1.912 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 3369222 IVVMZYSAOPFGBH-CHWSQXEVSA-N 367.446 1.335 0 40 FDAB CC[C@H](C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12825471 DOIDSELSXIRWSO-AWEZNQCLSA-N 354.472 1.511 0 40 FDAB CC1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)CC1 13371070 XWEGQTWTTIQUBC-STQMWFEESA-N 363.526 1.419 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(s1)CCCCCC2 25024179 BERZUGSYALPSBY-CYBMUJFWSA-N 364.467 1.911 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(F)cc1 4414394 CFLXKKYCJVCBQQ-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@@H](C)O1 15341404 YLHGJEZQDFHTHD-BETUJISGSA-N 372.512 1.785 0 40 FDAB COc1cccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 7682231 RUMKIJDPONTTBR-GFCCVEGCSA-N 356.378 1.907 0 40 FDAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 69369188 VEEVCVZCWYANDQ-ZFWWWQNUSA-N 370.471 1.137 0 40 FDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc2c(cc1Cl)OCCO2 97013461 LRSWFGXICKICLV-SNVBAGLBSA-N 370.818 1.516 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 22464863 CFCQFNWFOPZZQH-UHFFFAOYSA-N 358.398 1.866 0 40 FDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 306127317 FVIBWSMRUQIWLJ-BZUAXINKSA-N 358.467 1.723 0 40 FDAB O=C(O)c1ccccc1C(=O)NCCNC(=O)c1ccccc1C(=O)O 9095223 VDGWBERLBOLCGW-UHFFFAOYSA-N 356.334 1.243 0 40 FDAB Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1NC(=O)c1ccccc1 75094160 FZQPOOMHLWXJMO-HNNXBMFYSA-N 362.451 1.758 0 40 FDAB O=C(NC1(c2ncon2)CCOCC1)[C@@H]1CCCN(Cc2cccnc2)C1 545894637 HTZNNEOLOQPXSV-MRXNPFEDSA-N 371.441 1.499 0 40 FDAB O=C(NCCCn1ncccc1=O)c1csc(Nc2cccnc2)n1 62022587 HFXYROXYWDWGBL-UHFFFAOYSA-N 356.411 1.659 0 40 FDAB O=C(O)[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cccs1 547546272 DPZAOTPOEXIGMU-BXKDBHETSA-N 357.413 1.010 0 40 FDAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408622981 OLFGNIGGQCZFQX-UHFFFAOYSA-N 370.471 1.311 0 40 FDAB CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 38544552 CACPBYLJPWUZMR-UHFFFAOYSA-N 365.499 1.008 0 40 FDAB CC(=O)N1CCN(Cc2ccccn2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355083 VKGFFRDRTWCCRE-KRWDZBQOSA-N 368.485 1.461 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 218108136 MHMRORRQEJMFBI-QZTJIDSGSA-N 360.479 1.847 0 40 FDAB NS(=O)(=O)c1cc(C(=O)NCc2c(F)cccc2N2CCCC2)co1 560708835 MFBOTJIZLPBHFS-UHFFFAOYSA-N 367.402 1.596 0 40 FDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCSc2ccc(Cl)cc21 40013536 OGXKMXNJMYIWIU-WDEREUQCSA-N 353.831 1.981 0 40 FDAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(N2C(=O)CCC2=O)C1 225695048 ZEQSGQLQQXWGPZ-UHFFFAOYSA-N 351.362 1.847 0 40 FDAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1cccc(Cl)c1 224223326 XNCPZIBDVMPLFI-UHFFFAOYSA-N 368.846 1.445 0 40 FDAB CCCn1c(=O)sc2cc(S(=O)(=O)NC3CCN(C)CC3)ccc21 225735331 GKNZSOBYOCDAGK-UHFFFAOYSA-N 369.512 1.846 0 40 FDAB CCC(=O)N1CCc2cc(S(=O)(=O)N(C)[C@@H]3CCCC[C@H]3O)ccc21 225189184 CZUCKPNDUWJIMV-IAGOWNOFSA-N 366.483 1.910 0 40 FDAB Cn1cccc1[C@H](O)CCNC(=O)CCS(=O)(=O)c1ccccc1 225592610 IAUZDJZLLGCMDZ-MRXNPFEDSA-N 350.440 1.429 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224230624 RGNSPIJMMJSJQE-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ncc(F)cn1 585138296 CLAKIECNHMAKFQ-UHFFFAOYSA-N 357.389 1.280 0 40 FDAB O=C1CN(C(=O)NCc2ccc(OC(F)F)cn2)[C@H]2CCCC[C@@H]2N1 332124283 GPJFIUFMOSAZGL-STQMWFEESA-N 354.357 1.636 0 40 FDAB O=C([C@@H]1CN(Cc2cccs2)CC12CCOCC2)N1CCOCC1 96052206 FXDAQKOORFIHHI-INIZCTEOSA-N 350.484 1.836 0 40 FDAB O=C(O)[C@@H]1COCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 584908030 JMCWOXYBMIRDQX-ZDUSSCGKSA-N 353.806 1.263 0 40 FDAB COc1cccc2c1ccn2CCNC(=O)Cn1c(C)cc(O)cc1=O 96231086 WYQPCDJLYCXONP-UHFFFAOYSA-N 355.394 1.642 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)n1 96206069 DFSFPCXRKKIUDJ-UMVBOHGHSA-N 357.414 1.400 0 40 FDAB CC(=O)N[C@@H]1[C@H](Oc2ccccc2Cl)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 247971515 YPELKAVYIVSDQP-OLMNGRFOSA-N 371.817 1.461 0 40 FDAB O=C(NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn21)c1cccnc1 247469433 DWRQFACSOIIFJB-SFHVURJKSA-N 369.469 1.882 0 40 FDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)no1 248007088 CIYKHZXXKORDHH-AWEZNQCLSA-N 359.430 1.128 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCOc1ccccc1 257342048 ZMVTUEDGWVQQAF-LJQANCHMSA-N 356.426 1.345 0 40 FDAB Cc1noc([C@H]2CN(C(=O)Cn3ncccc3=O)C[C@@H]2c2ccccc2)n1 253473197 SOJFTNGBWUAPCW-CVEARBPZSA-N 365.393 1.345 0 40 FDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C2CCCC2)C3)n1 253479466 QNJCQWSAKWCMDZ-CQSZACIVSA-N 351.472 1.596 0 40 FDAB O=C(CCCn1ccnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257305585 SQQAENVVYGEJCR-MRXNPFEDSA-N 356.417 1.358 0 40 FDAB Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2ccncc2)CCC(=O)N1C1CC1 621006562 VPKUEJJVTKLSOG-PBHICJAKSA-N 353.426 1.687 0 40 FDAB NC(=O)C[C@]1(O)CCCN(C(=O)C2(c3c(F)cccc3F)CCC2)C1 643995869 QKTVYTIBQZPXEI-QGZVFWFLSA-N 352.381 1.615 0 40 FDAB CN(Cc1cnccn1)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644365243 SHFPNZOMRZOCMV-FQEVSTJZSA-N 354.454 1.852 0 40 FDAB Cn1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(C2CCOCC2)n1 644365792 AHYWCTMIRQXAHY-AWEZNQCLSA-N 358.446 1.458 0 40 FDAB OC[C@@]1(CN[C@@H]2CCCn3ccnc32)COCCN1Cc1ccccc1 658288910 RYVGUJKEINKPMX-QUCCMNQESA-N 356.470 1.571 0 40 FDAB CNC(=O)c1cc2n(n1)CC1(CCN(C(=O)C[C@H]3C=CCCC3)CC1)OC2 1775962790 FZLPWEXUIKXFQI-HNNXBMFYSA-N 372.469 1.881 0 40 FDAB O=C1CCc2cc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)ccc2N1 96025641 ZHBJOSRUQBAYHP-UHFFFAOYSA-N 359.363 1.807 0 40 FDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNC2CCCC2)[C@@H](O)C1 585282588 HNKCOTUBEJRLTE-WMZOPIPTSA-N 352.862 1.810 0 40 FDAB CNC(=O)C1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585290390 VUUBXEQNLRBUMR-RCCFBDPRSA-N 350.434 1.945 0 40 FDAB CN1C[C@@H](CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CC1=O 1776009359 XDMVXSAPDQGGKX-NSHDSACASA-N 358.364 1.817 0 40 FDAB CNC(=O)Cc1noc(CN2CCC(CCc3ccc(O)cc3)CC2)n1 75104970 AWCMEGJZHWHBSQ-UHFFFAOYSA-N 358.442 1.909 0 40 FDAB CCc1noc(CC)c1CNC(=O)c1ccc(CNS(C)(=O)=O)o1 87431865 CXLRNBQIWAHAIY-UHFFFAOYSA-N 355.416 1.372 0 40 FDAB CN(C)c1ncccc1CNC(=O)Nc1ccc(N2CCCC2=O)cn1 96013152 CJVOGUZOASNZOF-UHFFFAOYSA-N 354.414 1.991 0 40 FDAB COc1ccc2[nH]ccc(=NCc3nc([C@@H]4COCCN4C)n[nH]3)c2c1 1553918499 MNTSWOFGPXMLJW-INIZCTEOSA-N 354.414 1.399 0 40 FDAB O=C(c1ccncc1)N1C[C@H]2Cc3cnc(N4CCOCC4)nc3[C@H]2C1 12120651 OCFAYSZPXRJPHS-CVEARBPZSA-N 351.410 1.120 0 40 FDAB CCn1nnc2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncnc21 13533129 VZBURSCRKJOHFG-UHFFFAOYSA-N 355.377 1.343 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 17073930 OYSONYPLTCCTHY-SLZITWOASA-N 358.394 1.264 0 40 FDAB CS(=O)(=O)c1nc2ccccc2n1CCN1C(=O)c2ccccc2C1=O 18380057 FFYSIHRKZPOBBM-UHFFFAOYSA-N 369.402 1.736 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 19019589 XJUVPMHRUASBSL-HIFRSBDPSA-N 368.455 1.335 0 40 FDAB O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCNCC1)c1ccc(Cl)cc1 19364447 KFCVGEQJNNKFAJ-HZPDHXFCSA-N 357.907 1.835 0 40 FDAB CCc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1C 19521468 SAHYLGYIFSFWPJ-CYBMUJFWSA-N 369.421 1.790 0 40 FDAB Cc1nc(C)c(CC(=O)NCc2cc(=O)[nH]c(-c3ccncc3)n2)s1 19560529 TZHMGCYUHSCLTL-UHFFFAOYSA-N 355.423 1.764 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19583528 LOHDJHACKAAEAO-MRXNPFEDSA-N 364.409 1.851 0 40 FDAB COc1cccc([C@@H](CNS(=O)(=O)c2cnn(C)c2)N2CCCC2)c1 19662829 YLVSHZQBHBIJJI-QGZVFWFLSA-N 364.471 1.544 0 40 FDAB Cc1nnsc1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19747412 AFDLRKMORQRIAN-UHFFFAOYSA-N 371.466 1.267 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)n1 225406444 ZPKSVLCGVWBQGW-IRXDYDNUSA-N 368.437 1.664 0 40 FDAB O=C1[C@H](O)CCCCN1CC(=O)N(Cc1c(F)cccc1F)C1CC1 644449851 RARPHLSARVJWOQ-MRXNPFEDSA-N 352.381 1.829 0 40 FDAB Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)ccnc2n(C)c1=O 10217059 WOTDNHHLKWQMTI-UHFFFAOYSA-N 362.455 1.173 0 40 FDAB O=S(=O)(C1CC1)N1CCC(CN=c2[nH]c3cnccc3s2)CC1 1848780776 AMBZTKUTZOGFLO-UHFFFAOYSA-N 352.485 1.729 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC2CCCC2)cc1 4285588 NAFQGVKHJNDTSJ-UHFFFAOYSA-N 353.440 1.761 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ncccc2Br)C1)C1CC1 1888866833 DGGXDVSIEWHGMD-JTQLQIEISA-N 360.277 1.895 0 40 FDAB c1cnn(-c2ccc(N3CCN(c4ncnc5cnccc45)CC3)nn2)c1 1889212090 YFJRVASVOJLZBF-UHFFFAOYSA-N 359.397 1.327 0 40 FDAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)O1 1614929630 LCZACQSZCAUWOM-VQIMIIECSA-N 354.491 1.408 0 40 FDAB CCOC(=S)SCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 4629726 LSXJNMWBZKRWOV-UHFFFAOYSA-N 370.481 1.501 0 40 FDAB COc1cc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3ccccc3)C2)on1 2055745755 YASLBEPLPMSFLD-UMVBOHGHSA-N 357.366 1.551 0 40 FDAB CCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1 2055754558 AKQSKZFTNGAPSM-UHFFFAOYSA-N 369.487 1.045 0 40 FDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)NCc4ccccn4)O[C@@H]3C2)C1 2055729649 IWPKKEVLTNDPRC-FPGSVUAMSA-N 357.454 1.750 0 40 FDAB CCn1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1=O 23136323 OMPYDGVBCTYBAK-UHFFFAOYSA-N 373.438 1.665 0 40 FDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1 225432145 DTIMKKGWOHGCGP-AWEZNQCLSA-N 361.423 1.562 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575608769 YGRPGWDAMJCECA-UHFFFAOYSA-N 364.475 1.099 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4nn(C)c5ccccc45)C[C@H]3C2)n1 2298233195 LSSOBRYFVXFFLU-GASCZTMLSA-N 362.437 1.880 0 40 FDAB COc1cc(C(=O)O)cc(Br)c1OCC(=O)N1CCOCC1 8470060 OYBOQCUKYXDINI-UHFFFAOYSA-N 374.187 1.394 0 40 FDAB Cc1ccc(Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 9748799 CRDLLDPNXMMNOK-UHFFFAOYSA-N 365.393 1.876 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 29572603 KVOQBXJQPBCCNY-CQSZACIVSA-N 361.446 1.525 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 101448965 JJCSKAXFNIOCSI-WIRSXHRWSA-N 361.401 1.684 0 40 FDAB CC(=O)N[C@H](CC(=O)NCc1nnc2n1CCCCC2)c1cccs1 40043356 SULOLNCRABKIRM-CYBMUJFWSA-N 361.471 1.950 0 40 FDAB COC(=O)C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 40009890 RVBXREAEJWNYFN-INIZCTEOSA-N 365.389 1.968 0 40 FDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2cccc(C)c2)C1 40091936 CBQYUCIUJKLLJL-MRXNPFEDSA-N 368.499 1.942 0 40 FDAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO 32069542 SGMTWHGKRYJKPN-LBPRGKRZSA-N 372.450 1.704 0 40 FDAB COC(=O)CCCNC(=O)CCNC(=O)c1nc(SC)ncc1Cl 41156250 NEMKXUSVRDDWSN-UHFFFAOYSA-N 374.850 1.041 0 40 FDAB O=C(CCN1CCSC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 32843019 PNEIYCSAMOKCNP-UHFFFAOYSA-N 373.360 1.923 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102553411 XPIDJFNFPXORRP-FPMFFAJLSA-N 356.378 1.736 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2Cc2ccccc2)CC1 22025336 WJTZXBVMJUUOQI-CQSZACIVSA-N 360.487 1.366 0 40 FDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)N1CCN(Cc2ccccc2)CC1 23641240 KOLXRBDFVCELIU-UHFFFAOYSA-N 370.453 1.400 0 40 FDAB Cn1nc2c(cc1=O)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 78621792 ASBSJZZIRUFUEA-UHFFFAOYSA-N 362.474 1.786 0 40 FDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3190346 RMXLGUZSFUHRAL-CYBMUJFWSA-N 356.444 1.001 0 40 FDAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1 4217827 KRMCHMRHXFPHLM-UHFFFAOYSA-N 362.353 1.207 0 40 FDAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 25099945 DRSFGUKYQBMZOO-CKEIUWERSA-N 366.483 1.213 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1 34800027 HJNYMWYJVYATQT-CYBMUJFWSA-N 357.501 1.065 0 40 FDAB CC(C)[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4966888 UNPIBARUCYLQBW-QGZVFWFLSA-N 372.421 1.909 0 40 FDAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 7097627 CIRNXBLHWPILLX-CQSZACIVSA-N 373.482 1.700 0 40 FDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 56990813 BJMXLRNOXMEPLB-MRXNPFEDSA-N 354.447 1.090 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-n2cccn2)cc1 57372018 TXECJJXQBLBPSF-OAHLLOKOSA-N 365.480 1.409 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C 36056158 SIUXWRARQLHTFJ-HNNXBMFYSA-N 365.499 1.277 0 40 FDAB CC(C)COC(=O)N1CCN(C(=O)CNC(=O)c2ccsc2)CC1 58226634 OKCRVHBDPLWTEA-UHFFFAOYSA-N 353.444 1.415 0 40 FDAB CCc1nc(CN2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)cs1 104322073 SISBDHPOINCVGP-UHFFFAOYSA-N 370.482 1.945 0 40 FDAB CCc1nc(NC(=O)Cn2nc3c(cc2=O)CSCC3)sc1C 71284746 VYBKKGAWUHXXRQ-UHFFFAOYSA-N 350.469 1.999 0 40 FDAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)NCCNc1ncccn1)(C3)C2 101468752 SECUQNAXJWYJSY-GKVPXEHWSA-N 357.458 1.480 0 40 FDAB COCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 29171823 JFUHNHQAFJOTAH-UHFFFAOYSA-N 367.361 1.750 0 40 FDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)NC1CCCC1 57740007 CJGRHYSIIKXSMC-HXUWFJFHSA-N 370.453 1.610 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 12693933 LGNIAJPYOPZFQG-HZPDHXFCSA-N 355.394 1.925 0 40 FDAB NC(=O)c1cc(-c2csc(NC(=O)CCN3CCSC3=O)n2)c[nH]1 48278872 JXIJNLGIFVWTOJ-UHFFFAOYSA-N 365.440 1.735 0 40 FDAB CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 48310579 XXECQTPQJBDTJX-CQSZACIVSA-N 367.471 1.572 0 40 FDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12931150 KGNHNKVPMRAVDX-IIANPFDCSA-N 374.393 1.801 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc(F)c(F)c1 12919482 JCFXGGUGMUHTQV-NSHDSACASA-N 365.380 1.811 0 40 FDAB CCOC(=O)C1=C(Cn2c(=O)c(C)nc3ccccc32)NC(=O)N[C@H]1CC 12985814 MMXXEWOMQWCZBA-LBPRGKRZSA-N 370.409 1.614 0 40 FDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)OC 9157778 XJJKGQTURKJCMD-UHFFFAOYSA-N 367.446 1.752 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cnccn2)c1 6048674 CAZBXYDSSTZHIS-UHFFFAOYSA-N 364.427 1.768 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)c1ccccc1 4454219 AZHKMVBZUPPNSP-AWEZNQCLSA-N 369.425 1.147 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC(C)CC3)C2=O)cc1 14120007 OPQLIMGYFHMOSS-IBGZPJMESA-N 374.441 1.225 0 40 FDAB O=C(COC(=O)Cc1ccsc1)NCC(=O)Nc1ccc(F)cc1 6423716 OZNHPRBIBSEXOE-UHFFFAOYSA-N 350.371 1.728 0 40 FDAB COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1nc(C2CC2)no1 21453656 FSQXYKYTYHDYBU-UHFFFAOYSA-N 364.789 1.769 0 40 FDAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc2c(c1)OCCO2 5474409 UQBOZBZNGSFOSN-GFCCVEGCSA-N 367.365 1.840 0 40 FDAB Cn1nnnc1-c1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1 14519443 WTVPYWIVZZZDGD-OAHLLOKOSA-N 365.397 1.615 0 40 FDAB O=C(O[C@@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5571980 PLSSMFYHYUYGRU-CQSZACIVSA-N 371.386 1.085 0 40 FDAB NC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 6841041 ZTKCXAPEYRENLA-UHFFFAOYSA-N 358.211 1.724 0 40 FDAB CC(C)CC(=O)NCCCN1CCN(CCCNC(=O)CC(C)C)CC1 19850942 SNWDXCXBJYBUDY-UHFFFAOYSA-N 368.566 1.709 0 40 FDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(CCC)cc2)C1=O 7127103 YELGMWUSAQWHOL-IBGZPJMESA-N 374.441 1.642 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 408592792 LSWGHKYFQUOUNY-CQSZACIVSA-N 372.487 1.459 0 40 FDAB COc1ccc(CCNc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 22767683 LHGRHGZIWZOKFT-UHFFFAOYSA-N 354.410 1.604 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2CCN(CC(F)(F)F)CC2)c1 96536879 NELFSQHPVSXGTC-UHFFFAOYSA-N 373.375 1.900 0 40 FDAB CC(C)[C@@H]1OCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)COC2 408497735 JSJTXYMFLNBMSI-HOTGVXAUSA-N 353.440 1.973 0 40 FDAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(C4CC4)C3=O)n2)cc1OC 8745377 IBXRBEMARJFYSJ-GOSISDBHSA-N 372.381 1.974 0 40 FDAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 95473742 IAPGJRFCOWHVIW-ROUUACIJSA-N 352.390 1.886 0 40 FDAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)n[nH]1 95469145 UJBIUSFZQSVIIT-UHFFFAOYSA-N 355.372 1.404 0 40 FDAB Cn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cn1 21006437 DPTDBQOSBATTAJ-UHFFFAOYSA-N 350.400 1.163 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)o1 95956894 ZTEIAOZKXOEDDA-UHFFFAOYSA-N 360.432 1.731 0 40 FDAB CCOCCCNC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 409112790 BYNDNTBQYFZTDL-AWEZNQCLSA-N 372.487 1.783 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)N[C@H](Cc1ccccc1)C(=O)O 2097539 WXYDMCJVPXMMKH-MRXNPFEDSA-N 367.357 1.984 0 40 FDAB biogenic COCCNC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1C 408601314 FKYKSINLFXTYMH-UHFFFAOYSA-N 354.472 1.982 0 40 FDAB COCCNC(=O)[C@H](CCSC)n1c(O)nc2ccccc2c1=O 524733998 LIIMMLRXADABCL-ZDUSSCGKSA-N 351.428 1.159 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)NC[C@H]3CCCO3)cc2C[C@@H]1C 215878578 SUKNZUKMCRBZBO-SWLSCSKDSA-N 352.456 1.696 0 40 FDAB COc1cccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 34858852 NOJJDWFMGANOGI-UHFFFAOYSA-N 358.398 1.388 0 40 FDAB C[C@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)Nc1ncnc2nc[nH]c12 26239387 JEYDJCMVZJQXQT-PWCHPLFNSA-N 358.185 1.807 0 40 FDAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@](O)(Cn2cccn2)C1 72354533 VIRNBKUUBVMPCX-IBGZPJMESA-N 360.433 1.160 0 40 FDAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)C1CCCC1)C2 72345610 KQYKGBDNQSLSMW-QGZVFWFLSA-N 367.453 1.748 0 40 FDAB O=C(O)c1[nH]c(=O)n(CCc2ccccc2)c(=O)c1CN1CCCCC1 222655566 MQWPQKGKEQTXPM-UHFFFAOYSA-N 357.410 1.463 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 40122675 YHEMBCBBUCIDBT-ZDUSSCGKSA-N 356.378 1.995 0 40 FDAB Cc1cc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c2c(C)nn(C)c2n1 573421553 LINHZILSGAOXQY-UHFFFAOYSA-N 367.457 2.301 0 40 FDAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccccc4)C3)N2C1 514290356 XUJAYNJVJLZHGO-LEWJYISDSA-N 364.493 1.587 0 40 FDAB biogenic,in-vitro COc1ccc(CC(=O)N2CC[C@@H]3CN(C)S(=O)(=O)[C@@H]3CC2)cc1 96145574 RYZVRLJCQIWULK-GDBMZVCRSA-N 352.456 1.120 0 40 FDAB Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)c1 96240968 KOPXNFRQGAIRJH-SFHVURJKSA-N 372.465 1.723 0 40 FDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ccc(C)nn3)C2)C1 96229194 MLMRLOACPPNRML-INIZCTEOSA-N 354.476 1.054 0 40 FDAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96058390 ZDYGSMJIYZONKA-QGZVFWFLSA-N 366.421 1.768 0 40 FDAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(c4cnccn4)C3)C2)nn1 96078499 QYDVIHZDOVWOEI-QAPCUYQASA-N 356.430 1.299 0 40 FDAB NC(=O)CN1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(C(F)F)n1 257234488 GTSJRBCDWBPSJC-CHWSQXEVSA-N 355.389 1.223 0 40 FDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1cccn1 604418797 FEYPZSXVQOUPPQ-QOKNQOGYSA-N 354.410 1.499 0 40 FDAB O=c1c2ccccc2cnn1CN1CCn2c(nnc2C(F)(F)F)C1 604418861 LBOVXFNBQMBDJP-UHFFFAOYSA-N 350.304 1.480 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 643952059 QEKJRWZWECNAGZ-IBGZPJMESA-N 356.426 1.299 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccc3c[nH]nc3c2)c1 657226036 SOMIJOOFODXRHY-UHFFFAOYSA-N 360.439 1.803 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cc(-c2ccccc2F)on1 666944527 HEQOWRIFLXQULU-WCQYABFASA-N 369.374 1.414 0 40 FDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)NC[C@@H]1CCCN1c1cccnn1 673743573 VALQBIRZSINNPM-JTQLQIEISA-N 354.336 1.926 0 40 FDAB O=C1CCC(C(=O)N[C@@H]2CC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)=NN1 72430843 LBPYMMGAIWNQFQ-GXFFZTMASA-N 362.817 1.829 0 40 FDAB CN(C)N(C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575421835 RWHMIEMNYPPZIM-ZWKOTPCHSA-N 360.479 1.713 0 40 FDAB O=C(NCCn1ccnc1-c1cnccn1)NCc1ccc2c(c1)OCO2 575610076 SALWFTOBBURWEY-UHFFFAOYSA-N 366.381 1.568 0 40 FDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)Cc3cccnc3)C2)cc1 585269344 PVICFJKWZZYEMX-FQEVSTJZSA-N 356.422 1.601 0 40 FDAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)COc2ncccn2)C1 585276946 QFQOGCKNFZXWJI-IBGZPJMESA-N 357.410 1.596 0 40 FDAB OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H]1O 5492497 ZKWSVFAALQBHRF-LJISPDSOSA-N 355.184 1.420 0 40 FDAB CCn1ncc(S(=O)(=O)NC[C@H](O)COc2ccc(C)cc2)c1C 12239009 CEBHXPBMCFASLT-AWEZNQCLSA-N 353.444 1.238 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOCC1 15420871 ZXFRUWATNJAARP-UHFFFAOYSA-N 352.456 1.642 0 40 FDAB C[C@H](NC(=O)c1cccc(F)c1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1 19458390 OHLJAOFDISQECN-LBPRGKRZSA-N 359.405 1.152 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@H]21 19502069 KAQGEQOXRPWPJX-XLPNERPQSA-N 360.410 1.282 0 40 FDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 19936807 YRCZUYOMURIQEU-UHFFFAOYSA-N 361.379 1.514 0 40 FDAB COCc1cn([C@H]2CCN(C(=O)c3ccc(Br)o3)C2)nn1 585149689 QGBDFFDZYRWRCW-JTQLQIEISA-N 355.192 1.867 0 40 FDAB Cc1cc(N2CCN(c3ncnc4cnccc34)CC2)nc(N(C)C)n1 1889148961 CNBFVRDALPBLCB-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCn4nc5c(c4C3)CCC5)cc21 245039096 OEZXISUXFLFFHE-UHFFFAOYSA-N 374.422 1.021 0 40 FDAB O=C1COC[C@@]2(CN(Cc3cccnc3)CCO2)CN1c1ccccc1 2037980640 CIAPNRQBMBFUTR-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB CC(C)CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007682 DSXWRZJDSILKRK-UHFFFAOYSA-N 371.437 1.455 0 40 FDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 4274081 MGKNSGSIQMMBMT-UHFFFAOYSA-N 366.768 1.923 0 40 FDAB O=C(N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1)c1ccncc1 2055739360 SPHDXCDRJZVWHV-CYBMUJFWSA-N 366.377 1.880 0 40 FDAB O=S(=O)(CCC(F)(F)F)NCC1CCN(c2ncc(F)cn2)CC1 618254916 HCTDPSXHEUVZNA-UHFFFAOYSA-N 370.372 1.704 0 40 FDAB Cc1csc2nc(O)c(C(=O)NCc3c(F)cccc3F)c(=O)n12 10166738 UCPDWRUFESBEHG-UHFFFAOYSA-N 351.334 1.978 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCc1nnc2n1CCCCC2)c1cccs1 40043354 SULOLNCRABKIRM-ZDUSSCGKSA-N 361.471 1.950 0 40 FDAB C[C@H](CC(=O)NCCC(=O)Nc1ccccn1)NC(=O)c1ccccc1 40154445 VZVBUTOSSRCDJL-CQSZACIVSA-N 354.410 1.735 0 40 FDAB COCCNC(=O)NC(=O)COC(=O)c1cc2c(ccc3ccccc32)[nH]1 31406710 QCRWQQMOPFOTAU-UHFFFAOYSA-N 369.377 1.950 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3c(C)cc(C)cc3C)C(=O)[C@H]12 101021973 CBDNZKUELLGRAB-RISCZKNCSA-N 358.354 1.386 0 40 FDAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)NCCN1CCOCC1 20590973 MYQQGOVZFAWHNF-UHFFFAOYSA-N 353.806 1.086 0 40 FDAB COc1ccc(CNC(=O)C(=O)N[C@@H]2C(=O)N(C)c3ccccc32)cc1 101440494 OZAJBEKIWQOMBS-INIZCTEOSA-N 353.378 1.145 0 40 FDAB Cc1cc(C)nc(NN[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)n1 101744292 XGFAYOBMVGWXHA-AWEZNQCLSA-N 359.817 1.991 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc2ccccc12 33039561 RJAQXQQMOSZQJR-CYBMUJFWSA-N 356.426 1.944 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2ccccc2c1=O 22666594 IDJNZGJTMGAOFA-UHFFFAOYSA-N 351.362 1.784 0 40 FDAB CS(=O)(=O)/N=C(\O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 42278682 OSEDRPRPOZQGOH-UHFFFAOYSA-N 372.402 1.790 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1ccccn1 23157219 DMRMDHWBXWOSDB-HXUWFJFHSA-N 364.405 1.134 0 40 FDAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(C)=O)sc2c1CCC2 3117188 OHIGQYLYCVWHPD-UHFFFAOYSA-N 368.411 1.031 0 40 FDAB biogenic COC(=O)C1=NN[C@@]2(CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 1247588 JZFZKOAZAIJOHW-CQSZACIVSA-N 356.165 1.518 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482442 QZVAOHRCYQYQBX-HNNXBMFYSA-N 351.314 1.960 0 40 FDAB Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(C)n1C 3533201 JODPTVXAEMNYEE-UHFFFAOYSA-N 353.378 1.929 0 40 FDAB CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(F)c1 12532713 DGORPXMDJWKNNL-UHFFFAOYSA-N 364.421 1.385 0 40 FDAB CN(C)S(=O)(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101322938 DBVIGTPCPCYFFO-CHWSQXEVSA-N 358.485 1.262 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCCCCC1 105922587 BFSJUKQTWLTOME-RPLLJCPNSA-N 374.437 1.176 0 40 FDAB Cc1ccc(Br)cc1NC(=O)CCNS(=O)(=O)N(C)C 58185351 RFVOZYRXEKNDIR-UHFFFAOYSA-N 364.265 1.482 0 40 FDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 58181490 MPULWPDXUBLAMF-OKILXGFUSA-N 352.456 1.920 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@@H]3CCCCN3C2=O)c1 9602602 AUMSDDHAMHZDRH-AWEZNQCLSA-N 359.382 1.537 0 40 FDAB CCCCn1c(N)c(N(C)CCOc2ccccc2F)c(=O)[nH]c1=O 10432189 XIVMQMBBANQUKR-UHFFFAOYSA-N 350.394 1.573 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404183 FDLJQGSZAWXIGH-ZFWWWQNUSA-N 362.393 1.084 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 48171375 LSOCUYMLKYJPAE-ZDUSSCGKSA-N 367.475 1.227 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cnccn1 11919184 CXCJVDNPERKQMK-GFCCVEGCSA-N 353.382 1.313 0 40 FDAB COc1ccc(CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1OC 12321323 AKPMAILBHPEHBS-UHFFFAOYSA-N 357.345 1.749 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCCC2)c1 3332789 CSZJQSYLNHBDHT-UHFFFAOYSA-N 354.428 1.106 0 40 FDAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 20026847 QHHASEVZNXSQIW-UHFFFAOYSA-N 365.499 1.251 0 40 FDAB C[C@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)NC(C)(C)C 12881057 ZGLYJFXFTGUOCO-JTQLQIEISA-N 351.428 1.695 0 40 FDAB CCn1cnnc1CNS(=O)(=O)c1ccc(Br)c(C)c1 48667427 DFUVQCKWZRACHM-UHFFFAOYSA-N 359.249 1.847 0 40 FDAB O=C(CSc1nncs1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13394590 CMZDFBWEFZJIPA-LBPRGKRZSA-N 362.436 1.924 0 40 FDAB C[C@@](O)(CNC(=O)CC(=O)NCC(F)(F)F)c1ccc(F)cc1F 96000715 MTAVROBDPCLENW-CYBMUJFWSA-N 354.275 1.357 0 40 FDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)NC(Nc2ccc(F)cc2)=N1 9227060 JTCHCVMBWFQDPM-ZDUSSCGKSA-N 370.340 1.850 0 40 FDAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20105064 MSOCMHNGEBQVIU-INIZCTEOSA-N 353.488 1.472 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1 4414074 HCLYYKHCVWUPKD-UHFFFAOYSA-N 363.439 1.417 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)s1 14093597 WZNIIRRAOODYIL-PSLIRLAXSA-N 351.432 1.540 0 40 FDAB CCN(CC)C(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28210069 CKGUBPMMYUZCEL-CQSZACIVSA-N 368.455 1.552 0 40 FDAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NC[C@@H]3CCCO3)C2=O)cc1 6561949 YHMAJDHDTPDWIT-AYYGCFCKSA-N 359.382 1.321 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 7553106 RVPJSEGYVVWDRB-UHFFFAOYSA-N 361.398 1.924 0 40 FDAB CCCn1nc(C(=O)N2CCC(C(=O)OC)CC2)c2ccccc2c1=O 15924887 PDUUAPHYWWGNOM-UHFFFAOYSA-N 357.410 1.832 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8152283 IOFDZWASIBYWFW-MRVPVSSYSA-N 361.229 1.708 0 40 FDAB CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)c1 83884175 MBCQQIHZXYLLFZ-KRWDZBQOSA-N 373.434 1.404 0 40 FDAB CC[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(OC)cc1 8754621 OZUMQOYGFNMIGC-MRXNPFEDSA-N 367.405 1.966 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NCC(C)C)CC1 22791064 KVIRBZIINSKQRS-UHFFFAOYSA-N 360.502 1.632 0 40 FDAB CCc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c1c(=O)n(C)c(=O)n2C 9043211 YTKGMFUOLIWIBP-LLVKDONJSA-N 356.382 1.360 0 40 FDAB CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1cccc(S(N)(=O)=O)c1 97001473 KCTJOWIJOGJABI-GDBMZVCRSA-N 370.471 1.487 0 40 FDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cnc1N 97020794 MCTFPKJYAWJCKU-VIFPVBQESA-N 356.839 1.285 0 40 FDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)s1 97015097 SBDZWPILJKSXES-MRVPVSSYSA-N 362.864 1.953 0 40 FDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccnn1C1CCCC1 72309198 ONHAMNNLOVJERM-UHFFFAOYSA-N 357.414 1.965 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(C(N)=O)o2)CC1=O 72310298 DPBLILHQZYRXON-LBPRGKRZSA-N 371.393 1.365 0 40 FDAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC(C)(C)C)cc1C 28209728 JZNFTISAILDOII-ZDUSSCGKSA-N 368.455 1.598 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(C3CCC3)C[C@H]1C2 306130904 JSIHTVIVEOMYFY-CVEARBPZSA-N 351.454 1.865 0 40 FDAB COc1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCN(C(C)=O)C3)c1 72373902 YQXFCLNKEQTMED-INIZCTEOSA-N 369.425 1.626 0 40 FDAB CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218611736 NQOYUQOQQJGVHR-DAYGRLMNSA-N 368.499 1.982 0 40 FDAB COCCNC(=O)c1nnn(-c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)n1 71002591 OSYGODSDGOXCHY-CYBMUJFWSA-N 370.413 1.333 0 40 FDAB COc1ccc([C@H]2CCCN2C(=O)CCN2C(=O)CCC2=O)cc1OC 32904677 VXUBUPCKGBOSBC-CQSZACIVSA-N 360.410 1.906 0 40 FDAB CN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 72241388 QNZGJXRKTJYSRQ-HOTGVXAUSA-N 351.834 1.012 0 40 FDAB O=C(COc1coc(CN2CCSCC2)cc1=O)NCc1ccccc1 40287024 XFAZPVYPWWVTNU-UHFFFAOYSA-N 374.462 1.884 0 40 FDAB Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NC3CCC3)CN(C)C(=O)C2)no1 225406497 SPXKZBDMGSLIGH-GDBMZVCRSA-N 362.474 1.759 0 40 FDAB biogenic,in-vitro O=C1CCC(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)=NN1 225754979 FACBPJOABXXAPK-UHFFFAOYSA-N 372.454 1.489 0 40 FDAB O=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224835947 UUVYBOAWPUYSQE-UHFFFAOYSA-N 367.354 1.877 0 40 FDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 85419026 MYTHDDPRIDIHPS-BOSXTWCSSA-N 367.405 1.210 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NC3CC3)cn2)cc1 223386067 ZQUDEIHLQZSLJB-UHFFFAOYSA-N 360.439 1.498 0 40 FDAB COCCN1CC2(CCN(C(=O)C3CCOCC3)CC2)C[C@@H]1COC 96207480 JKDRCWLDUKQQKZ-QGZVFWFLSA-N 354.491 1.389 0 40 FDAB CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(C1CCOCC1)CC2 96187434 IGRGLNUVZRFHRR-UHFFFAOYSA-N 355.442 1.614 0 40 FDAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccco1)CCN(C(=O)C(C)C)C2 97952794 ZOYLZTFVXZGKNA-IBGZPJMESA-N 361.442 1.459 0 40 FDAB CCCS(=O)(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159084 LHINMKLJPSMIAW-UHFFFAOYSA-N 358.439 1.027 0 40 FDAB Cc1ccc(CN2C[C@@H]3[C@H](C2)c2nc(N(C)C)ncc2CS3(=O)=O)cc1 96083413 DKVJGWYUJPTTNW-DLBZAZTESA-N 372.494 1.747 0 40 FDAB Cc1nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c2cnn(C)c2n1 583617777 QYRINJFQMGZTJR-SMDDNHRTSA-N 354.418 1.037 0 40 FDAB CC(=O)N1CCc2nn(CC(=O)Nc3ccccc3Cl)c(=O)cc2C1 96105705 XHCVBHBMEDOJKW-UHFFFAOYSA-N 360.801 1.440 0 40 FDAB COCCCNC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96183135 WHYUJUMHNWBEDN-UHFFFAOYSA-N 361.398 1.080 0 40 FDAB O=C(CN1Cc2ccnn2[C@H](COCC2CCOCC2)C1)N1CCCC1 247806504 ZRWAAGWUBZNBOY-SFHVURJKSA-N 362.474 1.305 0 40 FDAB CN(C)CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ncccc1F 248024765 RZYMYZGMTHHIFN-HNNXBMFYSA-N 365.449 1.949 0 40 FDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccc(C)nc1 257231250 GFXYGXFCYXAJJU-LJQANCHMSA-N 366.465 1.505 0 40 FDAB C[C@H]1CN(c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)C(=O)O1 257293452 QPMFVSLKIGBEIE-NSHDSACASA-N 354.432 1.036 0 40 FDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3cccc(C(=O)O)c3)cn2)C1 257219990 DJCOGAAYWWPGHO-CYBMUJFWSA-N 355.394 1.879 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1OC 257311210 UIKMPAHSSJGJFK-QAPCUYQASA-N 364.442 1.072 0 40 FDAB CCN(CC)C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccnn2C)CC1 257239042 HNRDMXYEWGEYJF-UHFFFAOYSA-N 358.446 1.645 0 40 FDAB Cc1cc(C(=O)N2CC[C@H](Cc3cc(-c4nccn4C)ncn3)C2)no1 257344486 ZXMJFUQMTXEQJE-CYBMUJFWSA-N 352.398 1.878 0 40 FDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC)CC1 252488600 IVIWPVCOURXJTL-UHFFFAOYSA-N 351.472 1.312 0 40 FDAB C[C@@H](Oc1cccnc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1606729698 IVKDNMFMWJBXMA-CYBMUJFWSA-N 363.439 1.245 0 40 FDAB CCSCCC(=O)N(C)[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1614701806 OCNARBHELUDOLK-KBPBESRZSA-N 355.504 1.105 0 40 FDAB 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1.548 0 40 FDAB COCCNC(=O)CCNC(=O)c1ccccc1NC(=O)NC(C)C 56189086 IBDJNMPDMIRXRB-UHFFFAOYSA-N 350.419 1.099 0 40 FDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1C(N)=O 74069534 ZAQULLMSHXDPGQ-CQSZACIVSA-N 354.410 1.154 0 40 FDAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCC[C@H]1CN1CCOCC1 635618127 KOLVDTLXWXDNMH-LBPRGKRZSA-N 359.348 1.743 0 40 FDAB O=C(O)CN1C(=O)C2(CCN(CC(F)(F)F)CC2)Nc2ccccc21 1908509098 POUVFKOJUIPWLO-UHFFFAOYSA-N 357.332 1.927 0 40 FDAB O=C(c1cncc(O)c1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615155440 HWXTZASRCHGSEB-HXUWFJFHSA-N 367.405 1.825 0 40 FDAB COc1cc(N2CCOCC2)ccc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 5879756 JQNHBMMRERJNKO-QIPHDZALSA-N 371.437 1.734 0 40 FDAB CCOC(=O)C(NC(=O)c1ccccc1)(C(=O)OCC)c1ccccn1 13213388 YCBXSJVJEZZVMO-UHFFFAOYSA-N 356.378 1.833 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 13727642 CAVJMMKLVBWLAN-UHFFFAOYSA-N 374.484 1.324 0 40 FDAB CN(C)CN1C(=O)[C@]2(N=C(N)Nc3nc4ccccc4n32)c2ccccc21 14608231 HYRRFEBTBRQKRO-IBGZPJMESA-N 361.409 1.343 0 40 FDAB 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CCn1cnc2c(N3C[C@@H]4CN(c5ncncc5F)C[C@H]4C3)ncnc21 2087035479 GTWXTYCNZBIKKN-RYUDHWBXSA-N 354.393 1.348 0 40 FDAB NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ncccc3c2=O)cc1 2959785 ZIAXYLDLWONNKG-UHFFFAOYSA-N 362.436 1.344 0 40 FDAB CCCc1cnc2c(c1S[C@H](C)C(=O)OCC)c(=O)n(C)c(=O)n2C 10216847 MUNKBIVNMISQTG-SNVBAGLBSA-N 365.455 1.628 0 40 FDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1cccs1 10704993 ODPDVTHQXIHQBD-UHFFFAOYSA-N 350.465 1.866 0 40 FDAB CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccnc1 100149720 QZSPYIDISPEVBP-ZDUSSCGKSA-N 358.350 1.173 0 40 FDAB biogenic,in-vitro C[C@H](C(=O)NCc1nnc2ccc(-c3cccs3)nn12)n1cccn1 225763484 VAGNKABVDKWSOM-LLVKDONJSA-N 353.411 1.927 0 40 FDAB Cn1cnc2c(N3CCN(c4cccc(-n5cccn5)n4)CC3)ncnc21 2298080861 SSJARYQZPFEORI-UHFFFAOYSA-N 361.413 1.271 0 40 FDAB O=S1(=O)CC[C@@H](NCCn2cncc2-c2cnn(-c3ccccc3)c2)C1 19719557 FZYYYLAZTKZZHZ-MRXNPFEDSA-N 371.466 1.513 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)o1 8782751 NCBUCEUOCSORHU-UHFFFAOYSA-N 364.379 1.912 0 40 FDAB O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccc(Br)cc1 20022545 LZFSGYJBDFHPPH-UHFFFAOYSA-N 351.156 1.948 0 40 FDAB O=C(NCc1cccnc1OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 40121610 NXWQTOMHUFAWPZ-MRXNPFEDSA-N 360.435 1.712 0 40 FDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(N)=O 32739215 GHDQOMHQGFNBQO-MRXNPFEDSA-N 374.441 1.597 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)n1 54120767 HOPHJFLMUUJEBY-AWEZNQCLSA-N 353.386 1.302 0 40 FDAB COc1cc(OC)c([C@@H]2CCN(C)C[C@@H]2OC(C)=O)c(O)c1C(C)=O 34453314 IGPSCQDNVKUGLW-DOMZBBRYSA-N 351.399 1.963 0 40 FDAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3234351 QOPWTURAKHPMGJ-UHFFFAOYSA-N 362.407 1.068 0 40 FDAB CCn1c(SCC(=O)NCCOC)nc2sc(C)c(C)c2c1=O 3374051 PZLJWOQVNIKMNB-UHFFFAOYSA-N 355.485 1.949 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nnc(C2CC2)s1 24969918 AJLWULRHMNGBEJ-MRVPVSSYSA-N 370.431 1.860 0 40 FDAB Cc1nnc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)s1 4393262 WUAXYCQUAVWMLP-YOQJGNTNSA-N 371.415 1.182 0 40 FDAB 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Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1nc(N)nc(N(C)C)n1 24893154 GQEHWNCYQURDMQ-SNVBAGLBSA-N 365.821 1.992 0 40 FDAB CCn1cc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)c(C)n1 2037985611 POTVTUISXUCWON-LJQANCHMSA-N 362.474 1.844 0 40 FDAB O=C(c1ccc(O)nn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1614934655 LKMXWVYZHOJIQI-VYDXJSESSA-N 356.382 1.166 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565546508 DQUWPLLYTHJUMP-UWVAXJGDSA-N 369.421 1.219 0 40 FDAB NS(=O)(=O)c1ccc(CCn2c3c(c(=S)[nH]c2=O)CCC3)cc1 10509842 TUAUHPAYBDDRRE-UHFFFAOYSA-N 351.453 1.285 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)no1 12069409 ZYKULMNOZVSFMA-UHFFFAOYSA-N 371.441 1.250 0 40 FDAB CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 13716984 YJHQFIYKLRCOBT-OAHLLOKOSA-N 351.406 1.967 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cccs2)CC1 2055746353 RXFAJLUICWBSSS-UHFFFAOYSA-N 361.471 1.657 0 40 FDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cc(O)ncn2)C1 2055751436 XIOIZOHDNMLPCG-LJQANCHMSA-N 369.425 1.357 0 40 FDAB c1cnc2ncnc(N3CCN(c4cc(-n5cccn5)ncn4)CC3)c2c1 2086889384 QDNRPEUSGJFXKY-UHFFFAOYSA-N 359.397 1.327 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(OC2CCCC2)nc1 585150102 ANQYQDKKVBDAJM-UHFFFAOYSA-N 368.437 1.878 0 40 FDAB Cc1cc(C(=O)NCCn2nc([C@@H]3CCNC3)c3nccnc32)cs1 19571998 XDHRRMLXADEJKE-GFCCVEGCSA-N 356.455 1.703 0 40 FDAB CCOc1c(Br)cc(CNCCS(C)(=O)=O)cc1OC 37740761 VECYIOKHQJLONX-UHFFFAOYSA-N 366.277 1.991 0 40 FDAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)N1CCc2ccccc21 30587918 PUJJUTAFZAMAGH-UHFFFAOYSA-N 357.435 1.824 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2c(C)cccc2C)o1 40113787 SJQSHNOKLYQGCK-UHFFFAOYSA-N 352.412 1.613 0 40 FDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)NCc2ccco2)c1C 50515876 KSXGAIOPUPCRJO-UHFFFAOYSA-N 368.459 1.440 0 40 FDAB Cc1sc2c(c1C)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC(N)=O 41090964 YUGXVBQQODCFMG-UHFFFAOYSA-N 363.826 1.969 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 41166129 SIKCRZMQEHDADV-APHBMKBZSA-N 354.447 1.717 0 40 FDAB Nc1c(C(=O)CN2CCC[C@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 53779964 ZVJKJKHTCFIQMU-NSHDSACASA-N 360.439 1.535 0 40 FDAB CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 23151843 SBXIDOZMFPEXNQ-UHFFFAOYSA-N 359.411 1.874 0 40 FDAB CCc1ccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)cc1 54201818 KHCRUHPVZPGTAW-UHFFFAOYSA-N 355.446 1.457 0 40 FDAB O=C(O)CCNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 61718445 GVDOTQRWSUEAIL-UHFFFAOYSA-N 351.362 1.654 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1c2ccccc2C[C@H]1O 79158317 RROGOMRSKVHBSO-NILFDRSVSA-N 357.376 1.828 0 40 FDAB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(C)cc1 4275852 VVSILPIHCMHNLR-QEOTZNIISA-N 351.399 1.116 0 40 FDAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 6951376 PCVCREWZKMGDDS-UXBLZVDNSA-N 369.171 1.825 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cnn(C)c3C)CC2=O)cc1 25004186 GDLMHXMPEQBWBD-JSGCOSHPSA-N 356.426 1.967 0 40 FDAB CCn1cc(C(=O)n2nc(C)cc2C)c(S(=O)(=O)N2CCCCC2)n1 57478113 MMRLTOFMAUNSLE-UHFFFAOYSA-N 365.459 1.579 0 40 FDAB CNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233367 UIVHYSUSGJEVIG-UHFFFAOYSA-N 366.414 1.917 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2csc(-c3cccs3)n2)n(C)c1=O 9154845 DTEVIEJHCXYCHP-UHFFFAOYSA-N 359.436 1.667 0 40 FDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)C[C@@H](C)O1 58229440 OQOCMGYSRWNGOM-JEWRLFTDSA-N 360.454 1.927 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N(C)C1CCNCC1 36300179 PUHGASMVFBZSTC-UHFFFAOYSA-N 363.277 1.830 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C 36389830 HUGRFJXKUOYCBC-UHFFFAOYSA-N 367.515 1.524 0 40 FDAB O=C([C@@H]1COCCO1)N1CCN(CCOc2ccc(Cl)cc2)CC1 48099615 FAVDTVBMTMUIKL-INIZCTEOSA-N 354.834 1.278 0 40 FDAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(CN2C(=O)CNC2=O)cc1 28666000 UHRVBWBNHXNPJS-INIZCTEOSA-N 365.389 1.992 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C 12196919 DLTVQFCHZYCAPR-ZDUSSCGKSA-N 367.427 1.601 0 40 FDAB CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 12875680 FEHHWIBHLFDCOX-MRVPVSSYSA-N 367.290 1.800 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 3595953 OTZRLQDVYPZBBP-CWTRNNRKSA-N 373.409 1.912 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 13012386 HMVVFYXWKUNEGG-UHFFFAOYSA-N 362.451 1.850 0 40 FDAB Cc1cc(N2CCC[C@H](NC(=O)c3cc4ccccn4c3)C2=O)n(C)n1 72539896 MUEOKOORAGDEIA-INIZCTEOSA-N 351.410 1.907 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1OC 4351997 TYAYFFWGBJRVMX-UHFFFAOYSA-N 370.471 1.629 0 40 FDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C[C@@H](C)O1 4469019 CHDVPXGEGKCDTQ-JZKQVHKSSA-N 371.437 1.406 0 40 FDAB CCn1c(-c2ccco2)nn(CN2CCN(S(C)(=O)=O)CC2)c1=S 14138415 HFYUSXUFJFPIOY-UHFFFAOYSA-N 371.488 1.229 0 40 FDAB CN(C(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6551398 FABFGWGSWHTDRG-MDZDMXLPSA-N 366.377 1.436 0 40 FDAB Cc1cc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)o1 6552678 AXOAIISJHIOXIR-UHFFFAOYSA-N 368.393 1.654 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)c3nc4nccc(C)n4n3)CC2)cc1 14786090 GVPLRVRGYPPLOT-UHFFFAOYSA-N 364.409 1.598 0 40 FDAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1C1CC1 4829883 FOLJHSXQCQQYAZ-UHFFFAOYSA-N 355.398 1.070 0 40 FDAB COc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)N(C)C)o1 6848916 ZKYRWLHQIONFPV-UHFFFAOYSA-N 364.427 1.384 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccnc1)n2CC 7193661 NFVRYCVBZNMNDA-UHFFFAOYSA-N 371.397 1.458 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCCCCC2)c(=O)[nH]c1=O 7339528 YMRGQUUGJYTJAE-UHFFFAOYSA-N 365.478 1.148 0 40 FDAB CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 7782933 VQZMWUIMFCOSOM-UHFFFAOYSA-N 369.487 1.902 0 40 FDAB CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1cccc(C(N)=O)n1 95461438 WESOOROHSNOSTD-UHFFFAOYSA-N 364.764 1.570 0 40 FDAB O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897549 DXOLCCFTWXHYDU-SJORKVTESA-N 355.369 1.473 0 40 FDAB biogenic,in-vitro CCN(CC(=O)NCc1cccs1)C(=O)c1nc2nc(C)cc(C)n2n1 9834104 XHQISPWMSNMCCI-UHFFFAOYSA-N 372.454 1.581 0 40 FDAB Nc1nc(Cl)cc(NNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 97165055 DTAMPDPSTKZGOC-UHFFFAOYSA-N 353.835 1.896 0 40 FDAB CN1CCN(c2cc(NC(=O)COc3ccccc3Cl)ncn2)CC1 75166221 SUFDZLDDQQCMPU-UHFFFAOYSA-N 361.833 1.899 0 40 FDAB CC(=O)N1CCC[C@]2(C1)CN(S(=O)(=O)Cc1ccccc1)CCO2 63527718 XTOYZVGASVZHGJ-KRWDZBQOSA-N 352.456 1.230 0 40 FDAB Cn1c(=O)c2c(nc(Oc3cccc(Br)c3)n2C)n(C)c1=O 4386727 WKQFGNBJLCCZJR-UHFFFAOYSA-N 365.187 1.526 0 40 FDAB COc1ccc(N([C@H](C)C(=O)NCc2ccccn2)S(C)(=O)=O)cc1 20239263 OTPLZUNJLPUNIE-CYBMUJFWSA-N 363.439 1.561 0 40 FDAB COCCCNC(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 306132193 LBFHSIRJXDVVOT-OAHLLOKOSA-N 373.457 1.919 0 40 FDAB O=C(CSc1ncccn1)Nc1ccc(C(=O)N2CCOCC2)cc1 35312777 LFCBCSXTPNAVHN-UHFFFAOYSA-N 358.423 1.680 0 40 FDAB COc1ccc(CC(=O)N2CCNC[C@H](COc3ncccn3)C2)cc1 72354490 LTIRGLZQFFZVCE-INIZCTEOSA-N 356.426 1.155 0 40 FDAB COc1ccccc1CC(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238828512 FIKTYNUMUXQIPI-IYBDPMFKSA-N 354.406 1.400 0 40 FDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(CCn2ccnc2)CC1 75158044 SFPUKBJKUUNZOG-UHFFFAOYSA-N 356.398 1.168 0 40 FDAB CC(=O)N[C@H](CC(=O)NCCNc1ncccn1)c1ccc(Cl)cc1 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O=C([C@@H]1CCOC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256999 NNXGWFDKACTRCO-LSDHHAIUSA-N 354.410 1.987 0 40 FDAB O=C(CSc1nnnn1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 12882647 BDHMWHKQPDSUGE-AWEZNQCLSA-N 358.471 1.491 0 40 FDAB COc1ccc([C@H](O)c2nnc([C@H](O)c3ccc(OC)cc3)nn2)cc1 17002017 FMQXGLIVUSTSAB-IYBDPMFKSA-N 354.366 1.447 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 17075864 BRHKBAWPRUMKJO-CQSZACIVSA-N 370.413 1.957 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCn1nnnc1C 19130384 DENAAACGXCFPEL-OCCSQVGLSA-N 352.402 1.011 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19376671 VTMWUCRJISENSO-SFHVURJKSA-N 362.437 1.836 0 40 FDAB CCCn1cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c(C)n1 19526054 XASGSBJZMBNQEP-UHFFFAOYSA-N 363.487 1.503 0 40 FDAB Cc1cc(C)c2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)n(C)c2n1 19625524 FFXWSIVTAXYWEF-UHFFFAOYSA-N 366.421 1.071 0 40 FDAB Cc1cc2ncc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)c(N)n2n1 19664236 KGAPBXGGHQCJMV-INIZCTEOSA-N 364.453 1.839 0 40 FDAB Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)c2ccc(F)cc2)n1 19696574 QWKOMBATVVFOJM-UHFFFAOYSA-N 372.400 1.369 0 40 FDAB CC(=O)N1CCC[C@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1 19698019 IDQZURJWDMHGDJ-IBGZPJMESA-N 373.501 1.284 0 40 FDAB Cc1ncncc1C(=O)N1CCC([C@H]2CCCCN2S(C)(=O)=O)CC1 19746997 QYHYRYLBGWEUGZ-MRXNPFEDSA-N 366.487 1.451 0 40 FDAB NC(=O)Cn1cccc(C(=O)Nc2cc(F)ccc2N2CCCC2)c1=O 19750106 SVRDJJAZDDAUCF-UHFFFAOYSA-N 358.373 1.325 0 40 FDAB O=C1NC(=O)C2(CCCCC2)N1CCS(=O)(=O)Oc1ccccc1 3176883 PTCQMCBQIZEPPV-UHFFFAOYSA-N 352.412 1.650 0 40 FDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H](C(N)=O)c2ccccc2)C1 10268518 RAHGGYIUQVSLFI-CABCVRRESA-N 361.442 1.976 0 40 FDAB O=C(NC1CCCC1)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888856935 XMEXQBJGMXXGDV-MRXNPFEDSA-N 367.453 1.999 0 40 FDAB Cc1cc(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)ncn1 1888866658 ZDMJVUSNXHTDQQ-IAGOWNOFSA-N 358.467 1.683 0 40 FDAB O=S(=O)(NC1CCN(c2ncnc3ccc(F)cc23)CC1)C1CC1 1888882094 JJTNEYIUZFWBGN-UHFFFAOYSA-N 350.419 1.820 0 40 FDAB CN1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]2CO3)[C@H](c2ccccc2)C1 1262501515 NNFCAQIEZMRCPX-VJANTYMQSA-N 371.481 1.433 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 16599233 HAVXFBBZFOSTTM-OAHLLOKOSA-N 356.451 1.877 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565546023 UJIOHBYUMQFKLY-INIZCTEOSA-N 361.490 1.769 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCN2CCc3c(ncn3CC3CCCC3)[C@H]2C1 1565551763 RPWYKAWPERGLEX-JFRXWTBNSA-N 370.497 1.707 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23106696 GGNHNFDQQOFDKA-MRXNPFEDSA-N 373.478 1.554 0 40 FDAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)NCC(F)(F)F 49509439 BIFFKOHBCZVACR-UHFFFAOYSA-N 357.376 1.693 0 40 FDAB O=C(c1cc(Br)cs1)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585386534 DBEFSQFNDQSQSP-DTORHVGOSA-N 355.213 1.340 0 40 FDAB O=C(Nc1ccc(N2CCN(c3ccc4nncn4n3)CC2)cn1)C1CC1 2298078359 MDJUCQQATSWQQG-UHFFFAOYSA-N 364.413 1.194 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(OCc2ccc(F)cc2)c1 30391836 LYBARMHNIZZSMJ-UHFFFAOYSA-N 369.352 1.893 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)NC1CCN(C(=O)C2CC2)CC1 40120615 HYCYSWLPOHXELV-UHFFFAOYSA-N 369.429 1.493 0 40 FDAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 30959161 IOAKKVLRSYOJTB-UHFFFAOYSA-N 366.414 1.884 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)NCCN3CCOCC3)c(C)c2oc1=O 20533639 UYIYHDUQGNXLNP-UHFFFAOYSA-N 374.437 1.545 0 40 FDAB NC(=O)[C@@H]1CCCN1C(=O)c1nnc(-c2cccc(Br)c2)o1 20745707 VJNDDDZWBFFYDR-JTQLQIEISA-N 365.187 1.589 0 40 FDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 102068445 XMRGTCFNMBVSFI-STEAMIEHSA-N 367.401 1.836 0 40 FDAB CC(C)[C@H](CO)NC(=O)c1cc(Br)ccc1-n1cnnn1 41098078 KSCDMDPYKXFZNQ-NSHDSACASA-N 354.208 1.172 0 40 FDAB COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32795763 LJUSTJHJPVRDMJ-SECBINFHSA-N 355.188 1.091 0 40 FDAB C[C@@H](OC(=O)c1ccc(N(C)C)nc1)C(=O)NC(=O)NC1CCCCC1 32831408 KNMNAVQTBGKCCF-GFCCVEGCSA-N 362.430 1.851 0 40 FDAB CCCn1nc(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)ccc1=O 32999558 GQXBOWUNSXLGMF-UHFFFAOYSA-N 359.382 1.379 0 40 FDAB CCN(CC(=O)NC(C)(C)C)C(=O)CCn1ncc(=O)c2ccccc21 52936695 JAWQOHSPSIVDGW-UHFFFAOYSA-N 358.442 1.550 0 40 FDAB COC(=O)c1ccccc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1=O 103532611 HFNKGRNPSHGJEK-GOEBONIOSA-N 368.320 1.905 0 40 FDAB C[C@H](OC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(N)=O 12426416 JSMKPNWOYZEZQC-QUBYGPBYSA-N 362.329 1.925 0 40 FDAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)n1 79494735 VGLJWILZQIIXGR-HNNXBMFYSA-N 360.439 1.754 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4008911 XYZJRDWLOIGRFN-BQHCWPDZSA-N 355.390 1.832 0 40 FDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(N2C(=O)CCC2=O)c1 56951775 JSIURINHIQSCRL-MRXNPFEDSA-N 368.393 1.968 0 40 FDAB CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)Nc1ccc(OC)cc1 84789079 XTIXRBFWWFLKAT-CVEARBPZSA-N 360.458 1.902 0 40 FDAB c1ccc(-n2nnnc2CSc2nnc(N3CCOCC3)s2)cc1 58163742 BOYDFAITKJFDPW-UHFFFAOYSA-N 361.456 1.643 0 40 FDAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(O)CC2)Oc2ccccc21 100179815 FBLLSGFZTOAHFL-QCBOUXAHSA-N 370.449 1.925 0 40 FDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C(C)C)C(C)C 9459884 MRTWVXGQNQOFEQ-UHFFFAOYSA-N 358.460 1.791 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(N2CCOCC2)cn1 58357499 CCPUJCIDTXGPIX-UHFFFAOYSA-N 370.409 1.783 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 27967207 OZZUKGLCDNXTCX-OAHLLOKOSA-N 365.499 1.858 0 40 FDAB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC[C@H]1CCCO1 11592060 OQPDXIFNOOVOBA-NXEZZACHSA-N 353.473 1.496 0 40 FDAB Cc1ccc(-n2nnnc2Sc2ccc(S(N)(=O)=O)cn2)c(C)c1 12542909 FYHUOZMUZNJAIH-UHFFFAOYSA-N 362.440 1.473 0 40 FDAB Cc1cccc(C(=O)OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1N 29451225 WRVCRYUAJQRUSI-HNNXBMFYSA-N 369.377 1.014 0 40 FDAB Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)CC2)c1C 100686330 MQFAJDVHISGRMJ-FJIDUMEYSA-N 358.438 1.830 0 40 FDAB CCCNC(=O)NC(=O)COc1ccc(C(=O)OC)cc1Br 12729330 FUEPRNIAXQSXFZ-UHFFFAOYSA-N 373.203 1.850 0 40 FDAB Cn1c(CCC(=O)OCC(=O)NCC(F)(F)F)nc(=O)c2ccccc21 3365694 MPRXNEJHFZVNDZ-UHFFFAOYSA-N 371.315 1.088 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1nnc2ccccn12 48374438 KZVZZFFJZLZBJQ-LBPRGKRZSA-N 358.423 1.932 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4ccccn34)CC2=O)cc1 12809817 PZNZUCVFBNHRNP-HNNXBMFYSA-N 363.421 1.750 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95998009 AOYHIIZKUSRZSR-ZDUSSCGKSA-N 365.393 1.740 0 40 FDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1Cl 5016309 BBBFSKRCQDJRHN-UHFFFAOYSA-N 353.835 1.575 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2[nH]ncc2C(N)=O)c(Br)c1 95941740 ULHHTLQJNKUGAB-UHFFFAOYSA-N 359.205 1.380 0 40 FDAB CC(C)CCn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 6166758 RDVAOCACCGVCAO-AWEZNQCLSA-N 361.490 1.854 0 40 FDAB COc1ccccc1CCNC(=O)Cn1cc(Br)ccc1=O 14142412 JEHUMXAVNGMZGB-UHFFFAOYSA-N 365.227 1.978 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nccs3)C2=O)cc1 9419983 DBQSWPHZUWTXIH-ZDUSSCGKSA-N 374.422 1.991 0 40 FDAB C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-n2cncn2)cc1 14241117 ZLMGTWONZQOBBC-CYBMUJFWSA-N 353.382 1.858 0 40 FDAB C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 6646026 UKRITCXKHZUBSA-MBHQQJFWSA-N 373.384 1.952 0 40 FDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 7053677 VNGLVOJDBRJXTC-UHFFFAOYSA-N 352.437 1.624 0 40 FDAB CN(Cc1ccsc1)C(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 7143608 MNIXOMRKPSHBPE-UHFFFAOYSA-N 356.411 1.159 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)cc1 21110584 XYKPZKFJFWGRMY-LBPRGKRZSA-N 355.394 1.793 0 40 FDAB COCc1nc2nc(SCC(=O)OC)nn2c(N)c1-c1cccs1 20676220 KPHXJRZTCOJRQR-UHFFFAOYSA-N 365.440 1.847 0 40 FDAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592307 LACFTFGEZZQLLS-IUCAKERBSA-N 369.270 1.811 0 40 FDAB Cn1cccc1[C@H]1CCCN1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 7854555 SOKDKIAPGXSXMZ-OAHLLOKOSA-N 373.457 1.448 0 40 FDAB CC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@](O)(C(F)(F)Cl)C1 17073720 OIXMGWNMFORUGJ-SNVBAGLBSA-N 356.782 1.327 0 40 FDAB Cc1ccsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 306125182 CIJROKDDSALLLA-BZUAXINKSA-N 358.467 1.723 0 40 FDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 69922921 PMTMXOAUOGCENF-CYBMUJFWSA-N 354.476 1.269 0 40 FDAB CCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)n[nH]c1=O 8941327 CIYHABMESSKLGJ-JTQLQIEISA-N 355.464 1.621 0 40 FDAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 9047128 HATMXJGENIQLCJ-UHFFFAOYSA-N 351.391 1.862 0 40 FDAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 95940137 DBPPPOCMQMNVLN-SFHVURJKSA-N 365.389 1.639 0 40 FDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(CC(F)(F)F)CC1 64023565 FUZODSGJGDOUQO-UHFFFAOYSA-N 357.376 1.843 0 40 FDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)n1cncn1 548021528 CYFOFMZPEKETFO-UBHSHLNASA-N 350.398 1.173 0 40 FDAB CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cnccn1)C2 306138814 SICNGGYSRRWBOU-KRWDZBQOSA-N 367.453 1.625 0 40 FDAB Cc1ccc(S(=O)(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1 67240855 JAQREAKOMLEHJS-UHFFFAOYSA-N 371.422 1.640 0 40 FDAB C[C@@H](Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)O)c1ccccc1 217590166 YLFXERAHUVEIMH-GFCCVEGCSA-N 364.423 1.829 0 40 FDAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)N(C)C1=S 75280251 JITXMUSMXKLRBU-XFFZJAGNSA-N 350.396 1.578 0 40 FDAB Cc1cccc(OCc2cn(CC(=O)NCc3cc(C)n(C)n3)nn2)c1 227161306 QGTYYQKOPJNROY-UHFFFAOYSA-N 354.414 1.524 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)NCc1ccnc(N2CCCC2)n1 224203516 IOHMRGWLEKNPOF-UHFFFAOYSA-N 362.455 1.872 0 40 FDAB COc1ccc(-c2ncc(C(=O)N3CCC(C(N)=O)CC3)c(C)n2)cc1 223144406 VKYGDZDZUGPKAB-UHFFFAOYSA-N 354.410 1.798 0 40 FDAB CCOC(=O)N1CCN(C(=O)C[C@@H](CC(=O)O)c2cccs2)CC1 223125665 YZJVVSKQYIKVMT-LBPRGKRZSA-N 354.428 1.997 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCOC[C@@H]1c1nc[nH]n1 585081490 XTZOVOHKJVCEOO-CYBMUJFWSA-N 373.804 1.561 0 40 FDAB c1cncc(CN2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)c1 96244150 DLFKACFZZJPKIC-HXUWFJFHSA-N 367.453 1.382 0 40 FDAB Cn1cc([C@H]2CC3(CCN(C(=O)c4cccc(F)c4)CC3)NC2=O)cn1 96069617 GWZMVGZCLVJRGI-MRXNPFEDSA-N 356.401 1.838 0 40 FDAB Cn1nccc1-c1cnc2n1CCNC21CCN(Cc2nccs2)CC1 96145045 KSOVCMRKYAASQV-UHFFFAOYSA-N 369.498 1.835 0 40 FDAB O=C(CCO)N1CC[C@@]2(c3ccccc3)CN(c3ncccn3)C[C@H]2C1 96083340 ULQKCPKWJRQHGG-XLIONFOSSA-N 352.438 1.466 0 40 FDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1cccc(F)c1 96069072 DQAHWLLXTULHRE-HZPDHXFCSA-N 350.390 1.145 0 40 FDAB C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nnc2ccccn12 95478207 LMKPQUJACJBHKD-ZDUSSCGKSA-N 366.425 1.432 0 40 FDAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC2CCOCC2)CN(C)C(=O)C1 96113420 XQDCICXPUBHGFC-NVXWUHKLSA-N 353.507 1.641 0 40 FDAB biogenic,in-vitro CCS(=O)(=O)N1CCC2(CC1)CO[C@H](COCc1ccncc1)C2 96110798 JHPGXEUXRCVFBX-INIZCTEOSA-N 354.472 1.819 0 40 FDAB Cc1ncoc1C(=O)N1Cc2cncn2[C@H](COCc2ccncc2)C1 248011054 GGUITYLRKVKZKI-INIZCTEOSA-N 353.382 1.988 0 40 FDAB O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257280785 OMLMVJHWVFOAQX-MSOLQXFVSA-N 372.465 1.644 0 40 FDAB CN(C)c1cc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 257335453 YKFPNDILJKAGRS-INIZCTEOSA-N 352.504 1.709 0 40 FDAB CN(C(=O)CCn1ccccc1=O)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257209610 BRBMEZKYZZLZAX-UWVAXJGDSA-N 356.422 1.668 0 40 FDAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cncc(C(=O)O)c3)nc2)C1 257263636 LQUWTFNSHTTWGQ-ZDUSSCGKSA-N 361.423 1.666 0 40 FDAB COC(=O)[C@H]1C[C@H](O)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 592193530 BDWDISMSCPBQOO-ONGXEEELSA-N 361.225 1.788 0 40 FDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1COCCN1CC(F)(F)F 282938715 KAAFXAVTSVJNIK-OLZOCXBDSA-N 374.359 1.548 0 40 FDAB CCN1CCN(C(=O)CC2CCN(c3ncnc4c3ncn4C)CC2)CC1 595539995 ZMRHRCFTBKWUFX-UHFFFAOYSA-N 371.489 1.134 0 40 FDAB CCn1nc(C)c(CNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)c1C 605271654 XEJMYQUMFYKYOQ-GOSISDBHSA-N 367.457 1.915 0 40 FDAB CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)ccn(C)c2=O)C1 626431285 MVMTXAVOJQZOAE-HRCADAONSA-N 362.474 1.799 0 40 FDAB Cn1ccnc1CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CC12CCNCC2 638189802 LIIMCMLHDPGJOX-AWEZNQCLSA-N 362.865 1.441 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2OC)c(OC)c1C(=O)O 567796639 FPTHMZBGMGMGRO-QWRGUYRKSA-N 373.427 1.638 0 40 FDAB O=C(c1cnccn1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 575405787 IYRFYNJPQKUXNL-ZVZYQTTQSA-N 354.410 1.566 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 585108694 AQGWPSDBMHBTPM-BZUAXINKSA-N 361.417 1.739 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@@H]21 585109547 WLYICAAJGZUYAD-SOLBZPMBSA-N 371.462 1.618 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)nc1)NC[C@@H](O)c1cccc(F)c1 69106321 XQPZEOATDUKPHZ-MRXNPFEDSA-N 355.373 1.939 0 40 FDAB Cc1nc2ccccc2nc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 40024830 OMUFKDBYCFKTSW-OAHLLOKOSA-N 353.470 1.723 0 40 FDAB O=C(Cc1ccc2ccccc2c1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 84605834 IMGLEOFKGXEBLT-RTBURBONSA-N 372.490 1.760 0 40 FDAB CN(C)c1ncc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccccc2)cn1 1615087540 VBHGSTVXXBLFIH-ROUUACIJSA-N 353.470 1.978 0 40 FDAB Nc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1 5082300 XRZXUYWFRWCSED-UHFFFAOYSA-N 374.344 1.708 0 40 FDAB CC(C)NC(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12086699 DNSUTGZERJWVFC-HXUWFJFHSA-N 373.453 1.427 0 40 FDAB O=C(c1cnccn1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267392 YIHCTZRDTCXUAT-INIZCTEOSA-N 373.438 1.059 0 40 FDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccnn2C)CCO1 19705459 LPQXSXLYWQRLEU-CQSZACIVSA-N 371.466 1.963 0 40 FDAB COc1ccc2[nH]c(C(=O)NC[C@H](C)N3CCOCC3)c(NC(C)=O)c2c1 19719867 ULQRFKHCXGGRKC-LBPRGKRZSA-N 374.441 1.585 0 40 FDAB CNc1cc(CN(C)C(=O)Cc2csc(C)n2)nc([C@@H]2CCCN2)n1 19759912 IIJNSOSXTBWCKJ-AWEZNQCLSA-N 360.487 1.909 0 40 FDAB COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(N)s2)cc1OC 3671874 XMKWJOPHWLPWGY-VIFPVBQESA-N 368.484 1.977 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN(c2ncc(F)cn2)CC1 244969084 GXMOKTMGDFVUIJ-UHFFFAOYSA-N 369.422 1.415 0 40 FDAB O=C(O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 35126638 BXAJATRUIHBNFV-UHFFFAOYSA-N 353.227 1.384 0 40 FDAB O=C(COC(=O)/C=C/c1ccc(I)o1)NC1CC1 3238941 MXHWUKHRQHNHBI-GQCTYLIASA-N 361.135 1.719 0 40 FDAB CCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 5560422 QJJPEHNQDRDRQB-UHFFFAOYSA-N 363.892 1.667 0 40 FDAB Cc1cc(Br)cnc1N1CCO[C@H](C(=O)N2CCCC2)C1 1888849678 HYRMWIKORNKPHD-ZDUSSCGKSA-N 354.248 1.980 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)nc1 1888870196 XHVAJXFONRHUML-ACJLOTCBSA-N 355.398 1.602 0 40 FDAB COC1(CNC(=O)c2ccc(Cl)s2)CCN(S(C)(=O)=O)CC1 1888879063 MSOYWIFMJZXMFJ-UHFFFAOYSA-N 366.892 1.572 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc[n+]([O-])c1 16495675 FDWTTZPCWMCREZ-UHFFFAOYSA-N 363.395 1.062 0 40 FDAB CC(=O)Nc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)ccc1O 16626354 JMKIYJVLVCNXHY-GOSISDBHSA-N 371.345 1.917 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)c1cccnc1O[C@H]1CCOC1 240002213 PPCZQYTVWFJEBT-LBPRGKRZSA-N 351.403 1.504 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565550270 WZTKOKZTDBXURW-GJYPPUQNSA-N 355.394 1.081 0 40 FDAB CN(C)CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941603 HISUPGQRVWCITQ-UHFFFAOYSA-N 373.482 1.626 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)on3)n2)cc1OC 5388691 NLNVIFFOYFECHX-UHFFFAOYSA-N 370.365 1.863 0 40 FDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1cccc(F)c1 2055734730 PENLHJHCKBEWOA-OAHLLOKOSA-N 359.401 1.933 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38946844 ROOARJKDDAWADH-CVEARBPZSA-N 368.437 1.517 0 40 FDAB CO[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 121724653 CGYSNXOTGOFPKI-OAHLLOKOSA-N 374.890 1.815 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN([C@@H]2CCCC[C@H]2O)CC1 585501184 BNROBEKCOKCXJQ-IAGOWNOFSA-N 357.458 1.445 0 40 FDAB CCN1C(=O)C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C1=O 40156716 RCAKGRTYKNLUTO-INIZCTEOSA-N 357.454 1.256 0 40 FDAB O=c1c(NCc2ccccn2)c(NC[C@@H]2CCCN3CCCC[C@H]23)c1=O 100794856 JGBGBTDWLACABX-GOEBONIOSA-N 354.454 1.966 0 40 FDAB biogenic Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 102068449 XMRGTCFNMBVSFI-ILRDRHFLSA-N 367.401 1.836 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 22371029 TZYVTSCOLDNPBS-UHFFFAOYSA-N 362.393 1.417 0 40 FDAB O=C(NCCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 23874600 NOHRIWGGKNJBRZ-UHFFFAOYSA-N 373.478 1.841 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)NCc1ccco1 55050157 GDGVGYCBDUHTLK-NSHDSACASA-N 367.814 1.920 0 40 FDAB Cc1nn(Cc2ccc(C(=O)Nn3cnnc3)o2)c(C)c1Br 2777759 MFUMTTXNFUHPDI-UHFFFAOYSA-N 365.191 1.879 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(OC)cc1 3903504 KWCBKJHLPZHEKH-LUXYFRNMSA-N 350.367 1.081 0 40 FDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 4065820 RIMPTBZGDBXUFE-NIFPGPBJSA-N 361.195 1.901 0 40 FDAB CCCS(=O)(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 4222828 ACVZVMNKTRMQMX-GBJTYRQASA-N 370.427 1.099 0 40 FDAB biogenic,in-vitro CC(C)[C@@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC(C)(C)C 4898656 FKKLVFSKHDAOQC-QGZVFWFLSA-N 362.426 1.895 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(F)cc1 6049574 JXIRBWVXLWNLJT-HNNXBMFYSA-N 352.406 1.926 0 40 FDAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 10153620 LVDBQCWQBSHJMI-GFCCVEGCSA-N 360.439 1.610 0 40 FDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)C2 107326387 NUXSTKVWFSCXGJ-DEYYWGMASA-N 363.483 1.815 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 56780053 BSCDZAPJOQUOER-UONOGXRCSA-N 358.847 1.610 0 40 FDAB Cc1ccc(NC(=O)CNCc2ccccn2)cc1S(=O)(=O)N(C)C 57376073 CWZXCUQFTPHDNW-UHFFFAOYSA-N 362.455 1.369 0 40 FDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(CC(=O)NC2CC2)CC1 22931356 HOLGUSLUTVOWEX-HNNXBMFYSA-N 350.507 1.110 0 40 FDAB CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccn(C)n1 95461121 YSPFZCUHHNTSGY-UHFFFAOYSA-N 361.427 1.681 0 40 FDAB CCOc1ccc(CNc2nc3[nH]c(C)c(CC(=O)OC)c(=O)n3n2)cc1 100641668 VXKJLEQETCVSDA-UHFFFAOYSA-N 371.397 1.452 0 40 FDAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCC(=O)N1CCNC1=O 58191413 JSIOTZJBFWEELB-AWEZNQCLSA-N 358.442 1.973 0 40 FDAB C[C@H]1CN(CCCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 58229690 RBCIXUXRPLNELJ-HZSPNIEDSA-N 366.428 1.422 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(C)=O)C2)cc1 58215615 PPZPJPLRJAJPOT-CRAIPNDOSA-N 373.453 1.883 0 40 FDAB CCC1(CC)NC(=O)N(C[C@H](O)COc2ccc3c(c2)OCO3)C1=O 58304703 FRAFBHUZQOOFJV-NSHDSACASA-N 350.371 1.266 0 40 FDAB O=C(NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccccn1 45855908 PQFKKEVHOCFVGZ-UHFFFAOYSA-N 353.378 1.845 0 40 FDAB Cc1c([C@H]2NC(N)=Nc3nc4ccccc4n32)n(C)n(-c2ccccc2)c1=O 48356269 MWSRGBFJJFWIOC-KRWDZBQOSA-N 373.420 1.930 0 40 FDAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3595612 PGVBPQXOYUHXJQ-QGZVFWFLSA-N 367.352 1.677 0 40 FDAB Cc1c(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 9184162 JEAPYQPSPLZEBY-LLVKDONJSA-N 363.391 1.167 0 40 FDAB COC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCC2 4392540 KSDWKJJAAOZOFA-SECBINFHSA-N 357.453 1.787 0 40 FDAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(=O)n(C)c2ccccc21 14185048 QPLUGMFKGSIOJZ-UHFFFAOYSA-N 368.393 1.946 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)COC(=O)c2ccccc2C)c2ccccc2O1 9337849 QYXYZUJGUPZGLH-QGZVFWFLSA-N 368.389 1.692 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccco2)cc1 19796993 IITHFYNFGJGLES-HOTGVXAUSA-N 369.464 1.317 0 40 FDAB C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccccc1 5628592 ZLRIWSKMJJIVSF-ZDUSSCGKSA-N 357.410 1.640 0 40 FDAB CN1CCN(C[C@@H](O)COCCOc2ccccc2Br)CC1 22585140 ADJPNXBEWMCRAF-CQSZACIVSA-N 373.291 1.453 0 40 FDAB COc1c(C[C@@H]2CC(CO)=NO2)c(Br)c2c(c1OC)OCO2 15085824 KWCLENZEJFAOTP-QMMMGPOBSA-N 374.187 1.875 0 40 FDAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)N1CCOCC1 7660479 RSLDQERZLYOAAL-LBPRGKRZSA-N 373.862 1.445 0 40 FDAB CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7688499 QQJGCLBTCKGKSE-UHFFFAOYSA-N 356.426 1.710 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 16092330 RYNWMCROMOZPHS-UHFFFAOYSA-N 370.427 1.311 0 40 FDAB CNC(=O)c1sc(CN2C(=O)c3ccccc3S2(=O)=O)nc1C 7785903 AJBJWGHWCJXKQK-UHFFFAOYSA-N 351.409 1.156 0 40 FDAB COCCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965130 LRZAXKQXNRNDAZ-UHFFFAOYSA-N 364.414 1.664 0 40 FDAB CC(=O)N(C)c1nc(CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cs1 70007351 GYTWUBZJQFKMFV-LLVKDONJSA-N 369.472 1.482 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 96794672 AQKVTUJYPNMPJF-OAHLLOKOSA-N 369.469 1.722 0 40 FDAB CCN(CC(=O)NC(C)C)[C@H]1CCCC[C@@H]1N(CC)CC(=O)NC(C)C 95943813 PKSGBEZKJKKJTH-ROUUACIJSA-N 368.566 1.991 0 40 FDAB O=C(Cc1cccc(C(F)(F)F)c1)NCCN1CCS(=O)(=O)CC1 72280306 NPYICWCTXRDEAB-UHFFFAOYSA-N 364.389 1.095 0 40 FDAB CCc1ccc([C@@H](C)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 75478666 KUGHKPZOEGMJJO-CJNGLKHVSA-N 366.483 1.162 0 40 FDAB COCc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 25825082 DGZKHCUYNNLCLV-UHFFFAOYSA-N 360.391 1.616 0 40 FDAB Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)CCC2=O)c1Cl 25036273 SYZBHHZSIFXBQL-UHFFFAOYSA-N 373.192 1.933 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@H]12)c1ccccc1 306127314 FVGRNRPWPWEDPR-QXAKKESOSA-N 373.478 1.507 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 306130930 JSULYVOMSGLIJR-ZBFHGGJFSA-N 365.451 1.042 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)c(C)c1 408555306 WLIVOKSFCDFMHY-INIZCTEOSA-N 368.499 1.511 0 40 FDAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 85431269 AITSLWIMFFHSMY-LBPRGKRZSA-N 353.831 1.657 0 40 FDAB O=C(NCCSc1ncn[nH]1)c1cn2c3c(cccc3c1=O)CCC2 225859879 YDODGXHETKSYQD-UHFFFAOYSA-N 355.423 1.588 0 40 FDAB Cc1nnc([C@@H](C)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)o1 332602756 BCSRIHFTSZYJBV-SZEHBUNVSA-N 356.370 1.193 0 40 FDAB O=C(Nc1cccs1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514289112 UHBVGUNAUXDAMJ-GMXVVIOVSA-N 361.414 1.729 0 40 FDAB biogenic,in-vitro COCC(=O)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 96051673 PBRLEIWPXZVIIA-OAHLLOKOSA-N 352.456 1.383 0 40 FDAB CC(=O)N1CCC(C(=O)N[C@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@@H]32)CC1 96156981 VRXYSEKKFOWMPD-UFYCRDLUSA-N 369.465 1.678 0 40 FDAB CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)NCC4CC4)cn23)CC1 96156042 UQYRGKDIQJHHMI-UHFFFAOYSA-N 369.469 1.883 0 40 FDAB O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2 97953375 APNLLJWDXCBSOU-VQIMIIECSA-N 353.426 1.216 0 40 FDAB CN(C)C(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225257 HLNDDKSCNAGNGJ-GOSISDBHSA-N 359.430 1.333 0 40 FDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107572 LIGIAAAJHLNMTH-UGSOOPFHSA-N 358.373 1.853 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccccn2)C1 96057724 NMPJUBHULJFBGT-IAOVAPTHSA-N 355.394 1.611 0 40 FDAB CC(C)CC(=O)N1CCC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225121 JHKINRSRVSOHSW-LJQANCHMSA-N 358.442 1.881 0 40 FDAB Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(=O)NC2CC2)CC(=O)N(C)C1 96113413 DQPDKXZXMYFXMM-GDBMZVCRSA-N 362.474 1.677 0 40 FDAB biogenic,in-vitro Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2ccnn2C)C3)n1 248021023 HUPAWQNOGSLLDK-OAHLLOKOSA-N 371.441 1.609 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248159809 XDCQXSSPOXQACO-LTIDMASMSA-N 360.502 1.929 0 40 FDAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)c1cccnc1OC)CC2 247943263 OCESUYXSCLAVMS-HNNXBMFYSA-N 361.442 1.437 0 40 FDAB Cc1nc2cc(C(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)ccc2n1C 257224058 FADNPVNOXATBAF-YJBOKZPZSA-N 372.469 1.619 0 40 FDAB CCc1nccn1CC(=O)N1CCO[C@H](CCc2ccnc(NC)c2)C1 257310522 UFKLOPJFAHFPMS-MRXNPFEDSA-N 357.458 1.742 0 40 FDAB CCc1nccn1CC(=O)N1CCC[C@H](c2ccc3c(N)n[nH]c3n2)C1 257254359 KCSAOWNPYWUCLY-LBPRGKRZSA-N 353.430 1.705 0 40 FDAB COc1ccc(C)cc1CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1 257298860 RNNWCRDETOFLNU-LJQANCHMSA-N 356.426 1.094 0 40 FDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cc2ccncc2)C1 257283874 PAGFICMBDCBMEH-HXUWFJFHSA-N 357.429 1.859 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 643971243 FIJFTLCRVPPRBK-MRXNPFEDSA-N 356.444 1.003 0 40 FDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 666676798 AEPIEWAPLUOTHK-RWMBFGLXSA-N 358.464 1.424 0 40 FDAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1C[C@H](O)Cc2ccccc21 578836038 PDGZRNSAJTYWKS-LLVKDONJSA-N 353.421 1.867 0 40 FDAB CSCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095329 NILRYVQXBCPPLF-HNNXBMFYSA-N 366.487 1.062 0 40 FDAB C[C@H]1CN(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 28842748 JASZHNYVGJNDFJ-KBPBESRZSA-N 369.487 1.375 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3COc4ccccc4C3)ccc21 32927595 PIJPKQGWPHCJTK-LBPRGKRZSA-N 360.391 1.414 0 40 FDAB Cc1nc(CN2CCN([C@H](C)c3nnnn3-c3ccccc3)CC2)no1 95959665 CWKKYMITVLEFNA-CYBMUJFWSA-N 354.418 1.233 0 40 FDAB COc1cccnc1CC(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 672823205 LLSUCEPUBQNDFA-IAGOWNOFSA-N 360.502 1.650 0 40 FDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)OCCCO2 16098096 CXMQVXDSBLTCKW-UHFFFAOYSA-N 362.407 1.772 0 40 FDAB COCC(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C 19288603 OQWXYHWFZDTHTM-INIZCTEOSA-N 370.457 1.787 0 40 FDAB CN(C)c1ncccc1CN1CCc2nc(N3CCCC3)nc(O)c2CC1 19584142 VOIYVGOKFSXFCA-UHFFFAOYSA-N 368.485 1.844 0 40 FDAB CCCc1nnsc1C(=O)N1CCO[C@H](C(=O)N2CCCCC2)C1 19747139 BFYJGKWTYSCCJX-ZDUSSCGKSA-N 352.460 1.344 0 40 FDAB O=S(=O)(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1cccs1 575414630 OGUBJDXJVMJYEH-QMMMGPOBSA-N 366.390 1.943 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)nc1 1888854154 BIFKYSGTRKHFAE-ZRGWGRIASA-N 358.442 1.319 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)CC(C)C)C[C@@H]4C3)n1)CCC2 1888869723 WRCYMVGAQFIEOF-GJZGRUSLSA-N 364.515 1.628 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1 24442984 QRHIVVNXUVIFRB-UHFFFAOYSA-N 366.395 1.149 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 25520601 GUSLGDDCFIVHQE-UHFFFAOYSA-N 358.442 1.984 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(c2cccnc2)C(=O)CO3)o1 1614930747 YGWCWPFYOCXZGN-IBGZPJMESA-N 371.393 1.258 0 40 FDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 3612683 OLHPYAIGFWDZET-GJZGRUSLSA-N 366.483 1.826 0 40 FDAB COc1ccc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4504787 WNOZGGGDXARESJ-AWEZNQCLSA-N 355.456 1.746 0 40 FDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732567 OWOYVLYMKALAPG-MRXNPFEDSA-N 373.428 1.862 0 40 FDAB Cn1nccc1C(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055750987 VCBJIYQRNWZBJI-UHFFFAOYSA-N 367.453 1.739 0 40 FDAB COc1ccc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)c(OC)c1 2055713701 ZZGHDDDYCNGOEV-GOEBONIOSA-N 373.409 1.153 0 40 FDAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 21154106 OJLKWAOCEDSMOB-QGZVFWFLSA-N 367.446 1.516 0 40 FDAB CCN(C(=O)Cn1c(N2CCOCC2)nc(C)cc1=O)c1ccccc1 49411119 GKUMRYWQQCDWSJ-UHFFFAOYSA-N 356.426 1.441 0 40 FDAB C[C@@H](CN(C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 19455913 OMKCYIINUUUFDC-LSDHHAIUSA-N 364.490 1.157 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cc2nc3[nH]c(C)cc(=O)n3n2)cc1 101456205 KQZZXJSAUZUYIN-UHFFFAOYSA-N 355.354 1.084 0 40 FDAB Cn1c(N)c(C(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)sc1=S 138205839 VEFKGBKQCVDHFH-NXEZZACHSA-N 362.480 1.819 0 40 FDAB biogenic CC(=O)Nc1ccc(OC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 40062026 BFUAXKKFBRDNCK-KRWDZBQOSA-N 366.377 1.671 0 40 FDAB O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 100091719 VXJONFSHLVJOKQ-GFCCVEGCSA-N 360.744 1.819 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 40157488 SDIHSAMNAWQKOJ-ZDUSSCGKSA-N 353.378 1.822 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n(C)c1 30881773 LDFFBVVENUVAJA-UHFFFAOYSA-N 365.499 1.879 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCC(=O)NCc3ccco3)CC2=O)cc1 20739355 SVXUEEAUUVLBKU-CYBMUJFWSA-N 371.393 1.074 0 40 FDAB O=C(Nc1nncs1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 21215462 JPRGSQRTUZFFSW-NSHDSACASA-N 368.440 1.248 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 21487294 VMHYWXGWCHXCNM-UHFFFAOYSA-N 370.409 1.516 0 40 FDAB COc1ccc(COC[C@H](O)Cn2cnc3ncccc3c2=O)cc1OC 32895631 DPKUTUZBPIIBKF-CQSZACIVSA-N 371.393 1.386 0 40 FDAB COCCNc1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 21891494 VZMQFOULHKLMFE-UHFFFAOYSA-N 355.485 1.960 0 40 FDAB NC(=O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 23390917 QOTYGVZIZIRHTF-UHFFFAOYSA-N 352.334 1.471 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)CC1 71282893 YADUHQOADMKECW-JKSUJKDBSA-N 359.426 1.650 0 40 FDAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 79045061 SDXGHATZLQHWPT-UHFFFAOYSA-N 365.363 1.908 0 40 FDAB COc1cc(CC(=O)Nc2ccc(-n3cncn3)nc2)cc(OC)c1OC 24749601 DXMKBBPGQSOJLK-UHFFFAOYSA-N 369.381 1.869 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(C)o2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4476999 FRGMNIDCJNCNPN-AFIMGQEJSA-N 352.383 1.754 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(OC3CCCC3)c2)nn1 56970103 IYNYKRCJEYISSU-UHFFFAOYSA-N 357.414 1.940 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NCc2ccco2)s1 8474654 VYUKIKJUQCAVNL-UHFFFAOYSA-N 352.372 1.018 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57449370 YOQNOQXDWNSUPY-NSHDSACASA-N 358.364 1.672 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)n2[C@@H]1C 8724564 BZIRTJWXHMKVJH-CYBMUJFWSA-N 366.425 1.924 0 40 FDAB NS(=O)(=O)c1ccc(OCCN2CCC[C@H](C(F)(F)F)C2)cc1 27350634 YYCONZTYRNWOLP-NSHDSACASA-N 352.378 1.987 0 40 FDAB Cc1ccc(Br)cc1NC(=O)CNC(=O)CNC(=O)C1CC1 58244734 FUTIVNLNMZCRRD-UHFFFAOYSA-N 368.231 1.338 0 40 FDAB CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 100779274 ZVDLSJPOZVWMBQ-RBGFHDKUSA-N 369.506 1.508 0 40 FDAB Cc1c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cnn1C 100120939 MBMCWHPTRCVYAT-CRAIPNDOSA-N 354.458 1.617 0 40 FDAB CCn1c(=O)n(CC(=O)Nn2cnc3ccccc3c2=O)c2ccccc21 10708426 LJBSTEKFXCYLFY-UHFFFAOYSA-N 363.377 1.303 0 40 FDAB Cc1ccc2c(CN3CCC(NS(C)(=O)=O)CC3)cc(=O)oc2c1C 11104347 NZGPKTBTOIAUIN-UHFFFAOYSA-N 364.467 1.923 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20021473 JAGGADCHMHPXQV-UHFFFAOYSA-N 366.414 1.771 0 40 FDAB CCOC(=O)c1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1 60388808 ATOVJFMAXMOTGX-UHFFFAOYSA-N 358.379 1.819 0 40 FDAB CC(=O)N1CCN(c2c(Cl)cccc2[C@H]2C[C@H](C(N)=O)CC2=O)CC1 57328037 BBNNLXSMQPALJP-GXTWGEPZSA-N 363.845 1.557 0 40 FDAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccn1 47012819 NEKFZVLMBAWNDB-KDOFPFPSSA-N 371.466 1.646 0 40 FDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccnc1-n1cncn1 47122066 MPTNGXOYZYGWBP-MLGOLLRUSA-N 351.366 1.507 0 40 FDAB CCn1c(S[C@H]2C[C@H](C)OC2=O)nc2cc(S(N)(=O)=O)ccc21 12628210 KCEKVRXRMDKOAT-UFBFGSQYSA-N 355.441 1.500 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)NCCOc2ccccc2)cc1 12790857 DAOBVWPEFQIPSO-UHFFFAOYSA-N 363.439 1.255 0 40 FDAB Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 3322762 ATMKFGFJQLYERA-UHFFFAOYSA-N 366.450 1.731 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCCCCC1 3329567 RJTIBGBVWQYMAC-LJQANCHMSA-N 357.410 1.619 0 40 FDAB COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 20470381 WBQZTNXTTZOSLT-SSKCKEOISA-N 358.350 1.948 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCc4ccccc43)cnc21 12818393 BYVDBSKNKYFENX-MRXNPFEDSA-N 364.405 1.912 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1C 3416399 NZPHMYIWRYASEK-UHFFFAOYSA-N 367.365 1.850 0 40 FDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCCOc1ccccc1 3430860 OUZJPBWYFNTCEB-UHFFFAOYSA-N 360.391 1.347 0 40 FDAB CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=C(CCCO)NN21 13132361 JPAHSJHUZLMMDD-MRXNPFEDSA-N 357.414 1.247 0 40 FDAB C[C@@H]1c2nc(CC(=O)NCC3CCC3)cn2CCN1Cc1cnn(C)c1 306129965 ISRZNELEPRAUHP-CQSZACIVSA-N 356.474 1.652 0 40 FDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 14119143 YTNTVLTXYSHZOA-UHFFFAOYSA-N 365.437 1.561 0 40 FDAB CC(C)CCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703978 HTOZEHPQIURJBD-CYBMUJFWSA-N 370.471 1.775 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NCC1(c2ccncc2)CC1 95458403 BTODODIJNZXMQG-UHFFFAOYSA-N 352.437 1.940 0 40 FDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cnnn2)cc1 9460362 NGEQEXJXBLMBEL-UHFFFAOYSA-N 362.393 1.719 0 40 FDAB Cc1nnc([C@H](NC(=O)CNC(=O)C2CCCC2)c2ccccc2)n1C 71794512 MWEAYDURQRTLHN-QGZVFWFLSA-N 355.442 1.636 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(Cl)nc2)CC1 7785506 SIMAZANAGDMCNS-UHFFFAOYSA-N 355.778 1.193 0 40 FDAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N([C@@H](C)C(=O)NC2CC2)C1=O 8130808 ZQWGKCRQYBNSHV-JEOXALJRSA-N 357.410 1.446 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 306137662 RCPUDLCEBOXQFU-HNNXBMFYSA-N 359.455 1.471 0 40 FDAB O=C(CNC(=O)c1cnccn1)NCCc1c[nH]c2ccc(Cl)cc12 72406181 DJMRHCPEFHDMJE-UHFFFAOYSA-N 357.801 1.700 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(CC(F)(F)F)CC1 55208361 GQLUZWONLNARFE-UHFFFAOYSA-N 368.359 1.493 0 40 FDAB Nn1c(SCC(=O)Nc2ncccn2)nnc1-c1ccc(Cl)cc1 409175143 QPKZTQZWIKFBSP-UHFFFAOYSA-N 361.818 1.833 0 40 FDAB Cn1ccc(-c2nc(C(=O)NCCCN3CCOCC3)c3ccccn23)c1 306129567 IGZGZHSDHDFZKW-UHFFFAOYSA-N 367.453 1.792 0 40 FDAB O=S(=O)(C1CC1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 306130004 ITWGJAAFEGGJSS-CYBMUJFWSA-N 351.403 1.778 0 40 FDAB COc1ccc(C(=O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1OC 36646331 VWPLJCWJTKHHMZ-UHFFFAOYSA-N 354.362 1.600 0 40 FDAB biogenic,in-vitro CCN(CC)C(=O)[C@H]1CCCN1C(=O)Cn1c(=O)cnc2ccccc21 513480799 JDYFRDSMFZGLNH-MRXNPFEDSA-N 356.426 1.256 0 40 FDAB CC(C)CCN1CCO[C@H](Cn2nnc3c(NCC4CC4)ncnc32)C1 306144023 YTRRUKHMJNORIN-HNNXBMFYSA-N 359.478 1.790 0 40 FDAB CCn1cc(NC(=O)c2cnn(C)c2C(=O)Nc2cnn(CC)c2)cn1 36617905 KKWNIWDQFGFYKG-UHFFFAOYSA-N 356.390 1.358 0 40 FDAB O=S(=O)(Cc1ccccc1)NC[C@H](c1ccco1)N1CCOCC1 36079001 WUPHSNKMIRKMJF-MRXNPFEDSA-N 350.440 1.773 0 40 FDAB C[C@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1nc2c(s1)CCC2 560554185 JSOOICQZPQWDST-NSHDSACASA-N 351.476 1.702 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217666605 DEYGVGFPOVSUJK-NEPJUHHUSA-N 372.443 1.289 0 40 FDAB CC1CCN(c2ccc(NC(=S)NCCN3CCOCC3)cn2)CC1 223893157 VTIYGIRCXARNIO-UHFFFAOYSA-N 363.531 1.937 0 40 FDAB O=C(c1ccc(O[C@H]2CCSC2)nc1)N1CCC2(CC1)OCCO2 225712446 AHBYLIWWLAJBQU-AWEZNQCLSA-N 350.440 1.945 0 40 FDAB NC(=O)C1CCN(C(=O)c2cc(F)ccc2NC(=O)N2CCCC2)CC1 49547034 LDMWEOFLKAHDOC-UHFFFAOYSA-N 362.405 1.791 0 40 FDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1 226687203 KIEIIVRBKCJAMG-UHFFFAOYSA-N 355.441 1.055 0 40 FDAB C[C@@H](C(=O)NCCOc1ccc(F)cc1)n1nnc2ccccc2c1=O 44450423 QQAHKURZVNQLES-LBPRGKRZSA-N 356.357 1.687 0 40 FDAB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 222323751 JUXBTDMKFADEDD-KOZAUXTDSA-N 364.195 1.645 0 40 FDAB O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 225707385 TXOXZPIGFGMWIT-LVQVYYBASA-N 364.829 1.867 0 40 FDAB Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 225430806 XWVNARRXUBSBHI-CQSZACIVSA-N 356.382 1.877 0 40 FDAB O=S(=O)(NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)C1CC1 96206723 JUGFGKHGFAHJTN-XJKSGUPXSA-N 352.460 1.076 0 40 FDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccccn2)CC3)C1=O 96036505 BQXNARGKSCSAFC-OAQYLSRUSA-N 370.497 1.765 0 40 FDAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)c3cccnc3)O2)o1 97953585 NPARQRNPMCKGBQ-MCIONIFRSA-N 350.400 1.456 0 40 FDAB O=S(=O)(C1CC1)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 96055188 WAVJSPCYVWQSAM-NVXWUHKLSA-N 351.472 1.097 0 40 FDAB O=C(NCc1cccnc1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201825 YELUFFQMDYCOCT-FXAWDEMLSA-N 350.422 1.897 0 40 FDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107407 LIGIAAAJHLNMTH-ACJLOTCBSA-N 358.373 1.853 0 40 FDAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 583652528 SQBJNHAMLRAQMU-KZULUSFZSA-N 373.482 1.980 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(Cc4cccnc4)C3)ccnc12 257220888 DMQJYZVQFAOPJA-HNNXBMFYSA-N 350.426 1.864 0 40 FDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)COc2cccnc2)C1 257235817 GZPXNNMSIVQKMR-HNNXBMFYSA-N 355.442 1.798 0 40 FDAB Cc1noc(CNC(=O)c2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)cc2)n1 257291733 QIJXCJAPODMIDC-QRTARXTBSA-N 371.397 1.415 0 40 FDAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c2c(C)noc2n1 257213156 CGJSWTFVGLXQOJ-IIAWOOMASA-N 355.398 1.921 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)c1 257204393 AUJJVZFABZTTHC-MRXNPFEDSA-N 355.442 1.332 0 40 FDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2ccccc2F)CC1 591064648 ZWZGUUDIADJAGB-UHFFFAOYSA-N 369.400 1.361 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CN3CCC2CC3)c1C 601446224 WQNSCDIKGOCWFP-OAHLLOKOSA-N 352.456 1.496 0 40 FDAB COC(=O)Cn1cc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nn1 598991751 FXRFNOFZXFLTQZ-IUODEOHRSA-N 370.331 1.475 0 40 FDAB CS(=O)(=O)N(Cc1cc(F)ccc1F)Cc1nnc2n1CCOCC2 1615548088 BJLSCIPCKRZQIC-UHFFFAOYSA-N 372.397 1.091 0 40 FDAB O=C(O)CCNC(=O)c1ccc(NC(=O)c2cnc3n2CCCC3)cc1 630134231 SMQCZSQRVYMYHS-UHFFFAOYSA-N 356.382 1.676 0 40 FDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1C 663057586 SINOUSKURFZFLU-ZNMIVQPWSA-N 351.424 1.117 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 585108691 ZZXIRGNHHUHWHP-VKJFTORMSA-N 373.384 1.220 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccccc3OC)C2)OC1 585105563 ZZEJOIQYHGZNBT-OAHLLOKOSA-N 368.499 1.616 0 40 FDAB COCCn1nc(C)c(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c1C 684119648 VUTLUBNIGQXOGX-CYBMUJFWSA-N 366.462 1.948 0 40 FDAB Cc1nc([C@H](NS(=O)(=O)c2cc(C)c(C)s2)c2cnn(C)c2)no1 1663559731 LXZCRZKFLPYJOM-CYBMUJFWSA-N 367.456 1.858 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccccn1 5693314 UDKLKZHNNDQGCF-UHFFFAOYSA-N 361.785 1.989 0 40 FDAB CCc1cc(C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)no1 12276624 AXXPGKJDWJWTNC-UHFFFAOYSA-N 352.354 1.388 0 40 FDAB CS(=O)(=O)NC1=NC2=N[C@@H](c3ccccc3)C[C@@H](c3ccccc3)N2N1 13122573 KISCFENOGNFEAC-CVEARBPZSA-N 369.450 1.954 0 40 FDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCC3)c3nonc23)C[C@@H](C)O1 19497465 MSDQCQXGGLVGSJ-BETUJISGSA-N 359.430 1.871 0 40 FDAB C[C@H](NC(=O)c1cnn2cc(CCO)cnc12)c1ccc2c(c1)OCCO2 19655272 JWAFLOQDSNYKJE-LBPRGKRZSA-N 368.393 1.526 0 40 FDAB CC1(CNC(=O)Cn2c(CN3CCOCC3)nc3ccccc32)COC1 19659579 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NTGVHWSLYJIHFO-SFHVURJKSA-N 351.491 1.348 0 40 FDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccc(Cl)cc3)nnc12 1419245 FGZMZNDZTZJCRD-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB NC(=O)Cn1c(CO)cnc1SCc1ccc(Br)cc1 9827671 CYSKCKIWERNTBA-UHFFFAOYSA-N 356.245 1.916 0 40 FDAB C[C@H]1CN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)C[C@@H](C)O1 17246937 DDUMADGJYDMULI-OKILXGFUSA-N 366.421 1.925 0 40 FDAB O=C(NCC(F)(F)F)[C@@]1(n2ccnc2)CCCN(Cc2cn[nH]c2)C1 2055771655 PEVAAWURCPOHKZ-CQSZACIVSA-N 356.352 1.276 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)c1C 2055746467 JVUOHKHRKYDCBT-MUJYYYPQSA-N 351.410 1.835 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N[C@H]1CCN(c2ccccn2)C1 206829402 SYNQJUVBRMMPLY-ZDUSSCGKSA-N 351.403 1.787 0 40 FDAB COc1ccc(C(=O)C2=NN[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 18163582 REWPTOFOEQDDKY-DOTOQJQBSA-N 363.373 1.704 0 40 FDAB O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(-n2cnnn2)cc1 51418186 UEJSKQQJBZGREM-UHFFFAOYSA-N 360.381 1.749 0 40 FDAB COc1cccc(CN(C)C(=O)Cn2nnc(COc3ccccc3)n2)c1 51527960 JXVMVCJPXHVMTR-UHFFFAOYSA-N 367.409 1.919 0 40 FDAB O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 922563 OSQYMKOYUIIFFA-UHFFFAOYSA-N 370.452 1.543 0 40 FDAB Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1CN(C2CC2)CCO1 106380723 FIUHVNMESHEPJW-ZDUSSCGKSA-N 362.396 1.622 0 40 FDAB C[C@H]1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C)CC1 4895362 URXLDHINOKWZPK-ROUUACIJSA-N 364.534 1.406 0 40 FDAB COc1ccc(OC)c(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1 6325660 LIONKWJNPDEWOV-UHFFFAOYSA-N 358.460 1.632 0 40 FDAB C[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)n1cccn1 56304372 IKWDNUBTDRWMIW-HNNXBMFYSA-N 362.455 1.367 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1 8328469 XZALGRZPGBSULX-GFCCVEGCSA-N 352.412 1.523 0 40 FDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc2cccnc12 117904036 WUOYCWLBDZMKBU-CQSZACIVSA-N 354.453 1.184 0 40 FDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C 58304762 DBZDWISBURTNDX-HXUWFJFHSA-N 361.486 1.951 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C)CC)c1 36784588 PXIMIFDRSQYLAU-UHFFFAOYSA-N 357.476 1.184 0 40 FDAB Cn1nc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)ccc1=O 11535289 LTEGQXWWQQDTES-UHFFFAOYSA-N 352.350 1.556 0 40 FDAB CN1CCc2nc(NC(=O)[C@H]3CCCN(c4cnccn4)C3)sc2C1 29756509 JZPTXCMLRIREFA-LBPRGKRZSA-N 358.471 1.776 0 40 FDAB CCNC(=O)c1ccccc1NC(=S)NC(=O)CCC(=O)OCC 12137188 YTGRSYUFLIZGSZ-UHFFFAOYSA-N 351.428 1.593 0 40 FDAB CN(C)C(=O)c1ccc(CNC(=O)N2CCN(C3CCOCC3)CC2)cc1 83184740 GXGLRDJOLCMINH-UHFFFAOYSA-N 374.485 1.395 0 40 FDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCCC(=O)O)n1 49549562 LMLGEHSMMQPIRU-UHFFFAOYSA-N 363.345 1.039 0 40 FDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N(C)C 5020784 LFFKQPUNEIQFFX-WCQYABFASA-N 354.428 1.383 0 40 FDAB O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@H]1CCS(=O)(=O)C1 95957289 YRQPAVNWGMQUSY-AWEZNQCLSA-N 370.434 1.693 0 40 FDAB CCc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1 20634358 YDCRZCFSLGEVEA-UHFFFAOYSA-N 368.489 1.251 0 40 FDAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N(C)CC(=O)NC2CC2)c(C)c1 14184854 VHYYBSMUXRDJLE-UHFFFAOYSA-N 374.485 1.219 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)ccc2OC)c1 115097361 GCHXAZTWDMZBDW-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)N1CCc2ccccc21 15980560 MMKSDIPEZSSWOL-GJZGRUSLSA-N 370.405 1.294 0 40 FDAB Cc1ccccc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 7680778 SGCNWPBPWQWQSA-UHFFFAOYSA-N 358.442 1.713 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cnn(C)c2)s1 25309481 UWMOBQNFURYMLH-GFCCVEGCSA-N 354.457 1.582 0 40 FDAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 70635755 CSMBAMXQVNXEPX-LBPRGKRZSA-N 355.437 1.840 0 40 FDAB CCCc1noc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)n1 29340376 VLGUPCBWRRWBHK-KRWDZBQOSA-N 358.354 1.718 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)on1 62022867 ZUHNZECIHCFHPD-ZDUSSCGKSA-N 353.386 1.814 0 40 FDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN([C@H](C(N)=O)c2ccccc2)C1 548009176 YBHQCFRPZLGBMO-MAUKXSAKSA-N 358.467 1.715 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3S2(=O)=O)cs1 306126887 FIBGUEFFVVZQOF-YPMHNXCESA-N 370.525 1.554 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COC1(c2nc(C3CC3)no2)CCN(CC(=O)Nc2cc(C)no2)CC1 583615944 UATZIVFLWUAQFD-UHFFFAOYSA-N 361.402 1.820 0 40 FDAB Cn1nnc(-c2ccc(OCC(=O)NCc3c(F)cccc3F)cc2)n1 96232287 GPWYVYLOBGIVRD-UHFFFAOYSA-N 359.336 1.851 0 40 FDAB Cc1cnc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)cn1 257228978 FWBKMEDLZCEHGU-MRXNPFEDSA-N 355.442 1.720 0 40 FDAB Cc1ccc(C(=O)N[C@@H]2CC[C@H]3Oc4ccccc4N(C)[C@H]3[C@@H]2O)nc1 257300293 RTTBRWANUJOFBP-BYNBJNPRSA-N 353.422 1.909 0 40 FDAB Cc1cc(-c2cc([C@H]3CCCCN3S(=O)(=O)N(C)C)nc(C)n2)[nH]n1 257283192 OXDJAJGQDIIYIV-MRXNPFEDSA-N 364.475 1.817 0 40 FDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3cnn(C)c3)ccnc12 257310262 UEKKLWCFIPTBMI-AWEZNQCLSA-N 367.413 1.190 0 40 FDAB O=C(Nc1cccc2cccnc12)c1c[nH]c(=O)n(Cc2ccco2)c1=O 85554712 VLGRDFIECIZGQA-UHFFFAOYSA-N 362.345 1.978 0 40 FDAB Cc1ncc(CNC(=O)c2cnn3cccnc23)c([C@H]2CCCN2C)n1 257303653 SICBOTVDXOEBEV-OAHLLOKOSA-N 351.414 1.524 0 40 FDAB CCCn1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)n1 257280416 OKTFPCIFFVYBOT-GOSISDBHSA-N 358.446 1.187 0 40 FDAB 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O=C1CCCN1CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585276422 JOLDGBACLBFBER-GOSISDBHSA-N 350.390 1.180 0 40 FDAB Cc1ccc(NC(=O)C2CCN(CC3(CS(C)(=O)=O)CC3)CC2)nc1 677480562 ZRMRUMCYKNBUQQ-UHFFFAOYSA-N 365.499 1.865 0 40 FDAB CCCc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1 585270373 BYWDICPAASMVTC-UHFFFAOYSA-N 365.367 1.077 0 40 FDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)COc2ncccn2)C1 585275653 FSYWHNXQPZHLMC-LJQANCHMSA-N 357.410 1.860 0 40 FDAB CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)C(=O)c1nn(C)c2ccccc12 1775958128 FXQPDLUOQSCYSU-CMPLNLGQSA-N 357.393 1.336 0 40 FDAB C[C@H]1C[C@H](N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)O1 53944434 VGVYIHJZSOWJDD-CMIZMYSDSA-N 350.440 1.309 0 40 FDAB Cc1csc(=O)n1CCC(=O)NCCS(=O)(=O)Cc1ccccc1 40154336 BHUPCVBOFAPENV-UHFFFAOYSA-N 368.480 1.340 0 40 FDAB CN(CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1 662010750 UIPRXYCCHSRWJK-KRWDZBQOSA-N 359.474 1.712 0 40 FDAB COCCOc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccn1 179787387 RXZGSPPZHNEKTO-UHFFFAOYSA-N 356.426 1.460 0 40 FDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2nccs2)CC1 11368218 HRBVAAVHVWAJDW-UHFFFAOYSA-N 354.439 1.745 0 40 FDAB CC(=O)N1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 12824780 LYWVJZZRWDKPOF-UHFFFAOYSA-N 351.834 1.541 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)O)cc2)cc1 13166626 OKGSUQLNBAJZSS-UHFFFAOYSA-N 362.407 1.952 0 40 FDAB COc1ccc(S(=O)(=O)NCCCn2nc(C)cc2C)cc1OC 14238221 NZKATZKDKPCDEH-UHFFFAOYSA-N 353.444 1.886 0 40 FDAB CC(C)N1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 15006998 PAWLNVCGMKWBRK-HNNXBMFYSA-N 357.454 1.992 0 40 FDAB CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 16601491 MLBJBGXOTKPPOW-HNNXBMFYSA-N 368.499 1.945 0 40 FDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 17073928 OYSONYPLTCCTHY-GZFHQYITSA-N 358.394 1.264 0 40 FDAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC)CC2)cc1 19503745 UCEARFREPQKBLE-UHFFFAOYSA-N 367.515 1.472 0 40 FDAB CCOc1ccc2c(c1)cc(C(=O)NCCC(=O)N1CCOCC1)n2C 19519966 HQLQEBTZWNBSIJ-UHFFFAOYSA-N 359.426 1.556 0 40 FDAB COc1ccccc1C(=O)NCCn1nc([C@H]2CCNC2)c2cccnc21 19568999 DPHMUHIIBKMBJK-AWEZNQCLSA-N 365.437 1.947 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCO 19696589 JOEFOUABODVZBO-LJQANCHMSA-N 357.410 1.374 0 40 FDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)N[C@H](C)CO 19696614 FCOUCMXMFKIJBT-JLTOFOAXSA-N 371.437 1.762 0 40 FDAB COc1ccccc1CC(=O)N1C[C@@H]2CN(c3ccc(C)nn3)C[C@@H]2C1 1888873106 OOZNDMMZBMOXFD-CALCHBBNSA-N 352.438 1.931 0 40 FDAB Cn1c(N2C[C@H]3CN(S(=O)(=O)c4cnc[nH]4)C[C@@H]3C2)nc2ccccc21 1888908436 REKPPXOGTCTJJJ-STQMWFEESA-N 372.454 1.053 0 40 FDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1cccc2nsnc12 238826029 DTPLFROUPPHLCW-NSHDSACASA-N 352.445 1.286 0 40 FDAB CCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@H]2COCC1CC1 1565548654 HGCPOUBVIONCDJ-KRWDZBQOSA-N 373.432 1.927 0 40 FDAB O=C(NCCCc1ccccc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 9623345 RWFAJWVFEICUCS-UHFFFAOYSA-N 364.405 1.288 0 40 FDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c1 10331247 XWJOSORXFSVHBX-OAHLLOKOSA-N 358.398 1.596 0 40 FDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1cc(F)ccc1F 10594550 HNYDUWMUUPOQBW-UHFFFAOYSA-N 351.338 1.419 0 40 FDAB Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)ccc1F 13846259 WXFOYSSHAZNEAS-UHFFFAOYSA-N 365.390 1.238 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)c1 17244024 KHCCSPPWDHLLAM-AOOOYVTPSA-N 352.412 1.521 0 40 FDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(C)c(F)c2)CC1 2055745962 VNFISMFVHCLIEW-UHFFFAOYSA-N 373.432 1.122 0 40 FDAB COc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c(OC)c1 43979923 CYMZVZZIGSWVPQ-UHFFFAOYSA-N 356.444 1.105 0 40 FDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1nc2c(cc1=O)CCC2 575619724 KSYQAJURBYLDCO-LBPRGKRZSA-N 371.393 1.044 0 40 FDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCCCn2cccn2)cc1 30166288 TUHXHSYSKNPCLI-VSGCLNPGSA-N 356.426 1.616 0 40 FDAB COc1ccccc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 40072507 LYGHHXFPRMTSJB-UHFFFAOYSA-N 352.394 1.604 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)NC1CC1 32243048 FUUSAASWHGPLMB-UHFFFAOYSA-N 355.360 1.742 0 40 FDAB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102403531 GGDXIHVXUFDGFN-GASCZTMLSA-N 374.393 1.352 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)N1CCCC[C@@H]1C 102475663 NSTCCQJBMNONHI-HRCADAONSA-N 372.469 1.336 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3nc2C)n(C)c1 32850546 KUVIYAAKULMWPP-UHFFFAOYSA-N 374.422 1.542 0 40 FDAB Cc1nc2ccccc2nc1NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 42108091 SYBRROIGJPAVIM-BETUJISGSA-N 364.471 1.789 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(C)on2)cc1 22977662 MCFSZNBSQMMOTM-UHFFFAOYSA-N 366.395 1.550 0 40 FDAB O=S(=O)(NCC[C@H]1CCNC1)c1ccc(F)cc1Br 104367251 LUOTULGZLRILKT-SECBINFHSA-N 351.241 1.866 0 40 FDAB C[S@](=O)CCNC(=O)c1ccc(I)c(F)c1 78765076 YHFPCSFPMFHZNC-MRXNPFEDSA-N 355.172 1.539 0 40 FDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(F)c2)s1 61717852 OPWGIQKSDXXJJT-FZMZJTMJSA-N 364.402 1.982 0 40 FDAB O=C(COC(=O)Cc1ccc2c(c1)OCCO2)NCCc1ccccc1 7556799 FYVFSFCKDRCJMG-UHFFFAOYSA-N 355.390 1.902 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 7645722 KYQPGXQSIQGRGR-UHFFFAOYSA-N 350.440 1.522 0 40 FDAB Cn1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 25307349 ZITLJXGUSJUGAY-UHFFFAOYSA-N 362.455 1.776 0 40 FDAB Cc1c(CC(=O)N2CCN(CC(F)(F)F)CC2)nnn1-c1ccccc1 57152451 YSWSTEJTRFZCQJ-UHFFFAOYSA-N 367.375 1.825 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 3094565 FWYTWHRIBFIISO-OAHLLOKOSA-N 370.471 1.367 0 40 FDAB NC(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)nc1 108454050 WTQHLGFCGHDCTC-KRWDZBQOSA-N 357.385 1.905 0 40 FDAB CCCN(C(=O)[C@H](NC(=O)c1ccco1)C(C)C)[C@H]1CCS(=O)(=O)C1 10025102 VLGYSMXWVDRWKU-DZGCQCFKSA-N 370.471 1.460 0 40 FDAB O=C([C@H]1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]1O2)N1CCOCC1 108707998 CPIPYSIYNVWBAF-YESZJQIVSA-N 350.846 1.788 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)NCC1(c2ccccc2)CCC1 28649538 LTFIBHROHHCODT-UHFFFAOYSA-N 369.450 1.729 0 40 FDAB O=C(COC(=O)COc1ccc2ccccc2c1)N[C@@H]1CCCCNC1=O 46213111 JGOVKUYYCYWXAO-QGZVFWFLSA-N 370.405 1.547 0 40 FDAB 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356.363 1.756 0 40 FDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)C[C@H]1CCS(=O)(=O)C1 70770275 ZLLJEFWIRGRHDN-ZIAGYGMSSA-N 374.503 1.717 0 40 FDAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccco1)Nc1ccc(O)cc1 84429409 NCABTNPTXTWBPF-AWEZNQCLSA-N 358.350 1.772 0 40 FDAB CN(C)CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 95365110 AUZJQTIDIHWWOQ-UHFFFAOYSA-N 365.499 1.924 0 40 FDAB COC(=O)CCN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1C 95983931 ANVXQCBZJOJNSJ-ZDUSSCGKSA-N 362.405 1.945 0 40 FDAB COc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3)cc2)cc1 67896878 WYZGUIRDKFUXDG-YLJYHZDGSA-N 370.405 1.425 0 40 FDAB biogenic,in-vitro C[C@@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 89478874 YGJDTYBBIPCVMV-YBVXAUJNSA-N 370.541 1.934 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)NC2(C(=O)OC)CCCCC2)CC1 25174615 KSNSCUMRAABMQI-UHFFFAOYSA-N 360.476 1.040 0 40 FDAB NC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)o1 548678603 RPOQKMOTIAZODG-QWRGUYRKSA-N 351.403 1.782 0 40 FDAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408707420 AMCQLPZQODZJFY-UHFFFAOYSA-N 373.409 1.691 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(CC(F)(F)F)CC1 54189628 RIMMPWRZFOPEOI-UHFFFAOYSA-N 350.362 1.490 0 40 FDAB C[C@H]1Cc2c(NC(=O)c3cc(=O)c4ccccc4o3)nn(C)c2NC1=O 35597746 VGEFHBVVNZLMMV-VIFPVBQESA-N 352.350 1.910 0 40 FDAB Cc1c(C(=O)N2CCN(C3CC3)c3ccccc32)nnn1-c1cnn(C)c1 560254439 VMOIHDVEVGPZRH-UHFFFAOYSA-N 363.425 1.938 0 40 FDAB Cc1ccc(-c2cnc(NC(=O)CCN3C(=O)COCC3=O)n2C)cc1C 36752491 LWVNIXSFFDMZQI-UHFFFAOYSA-N 370.409 1.418 0 40 FDAB C[C@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)N1CCOCC1 72393289 HOIFNLCUNFYTJE-CQSZACIVSA-N 371.441 1.558 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)nc1 46819760 MAGMGBQOSZWVOL-CQSZACIVSA-N 364.409 1.924 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCOCC2)cc1 329236651 OLGKKOBPIWHXAT-INIZCTEOSA-N 373.496 1.670 0 40 FDAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCCN1CCOCC1 41184810 DLFRQMMQPVLQJN-UHFFFAOYSA-N 364.833 1.771 0 40 FDAB Cn1c(Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)n[nH]c1=S 41105036 FDOOIWSMLGWIDY-UHFFFAOYSA-N 361.471 1.843 0 40 FDAB CN1CCN(c2ncc(NC(=O)Nc3ccc4c(c3)OCCO4)cn2)CC1 224267477 HSEQAUIBADDVTL-UHFFFAOYSA-N 370.413 1.644 0 40 FDAB COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)n(C)c2c1 85876152 HWWROTBVETUCLR-CYBMUJFWSA-N 366.373 1.985 0 40 FDAB biogenic CC(C)(Cc1ccccc1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 225850628 SWHASKNGSCWDSX-UHFFFAOYSA-N 372.446 1.969 0 40 FDAB Cc1cccc(CN2CC[C@H]3O[C@H](C(=O)Nc4cnccn4)CC[C@H]32)n1 96040903 HELDIDZWXGQUBW-ZACQAIPSSA-N 353.426 1.941 0 40 FDAB CCN(C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O)[C@@H](C)Cc1ccsc1 333613391 XCZOQRKUPZERKS-AEGPPILISA-N 374.528 1.577 0 40 FDAB CO[C@@H]1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1(C)C 332614325 LDMYWJVVLXYMLW-CYBMUJFWSA-N 358.391 1.696 0 40 FDAB Cc1ccoc1C(=O)N1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96052229 YHHIAXUIOPPNGY-OAHLLOKOSA-N 362.426 1.316 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)Cc2ccccc2)C[C@]2(CNC(=O)C2)C1 96262015 LJXYZDAVSDKMAM-FQEVSTJZSA-N 357.454 1.062 0 40 FDAB COc1ccc2nnc(CNC(=O)c3cnn(-c4ccccc4)c3C)n2n1 252509794 YVXBMTCUTKYUCE-UHFFFAOYSA-N 363.381 1.557 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1 257308875 TYOXGUGJFRUBBC-LLVKDONJSA-N 362.411 1.376 0 40 FDAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2c[nH]cn2)CCO1 257308092 TVJALTGTVZHSQJ-KRWDZBQOSA-N 364.833 1.589 0 40 FDAB Cn1nccc1CCC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257226062 FIZJEPRATKPZBN-MRXNPFEDSA-N 356.417 1.047 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc2cccnc12 257309020 TZFWUJOLTWKKEK-ZHALLVOQSA-N 355.438 1.579 0 40 FDAB CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257261634 LIFBMRNDONWBGK-ZHALLVOQSA-N 353.426 1.846 0 40 FDAB Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc(Cl)s2)c1=O 85470714 OZTMNLBGTUJPKP-UHFFFAOYSA-N 363.830 1.789 0 40 FDAB CCOC(=O)CN(C)C(=O)Cn1nc(-c2c(F)cccc2F)ccc1=O 600601911 XFYDNGPMPXGBQB-UHFFFAOYSA-N 365.336 1.210 0 40 FDAB O=C1[C@H](N2CC[C@@H](c3cc(O)nc(O)n3)C2)CCN1c1ccccc1F 639716837 RDCHFYMVYMRFGQ-IAQYHMDHSA-N 358.373 1.622 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 681943648 ZRVBXARBFXOUOH-OAHLLOKOSA-N 371.393 1.009 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 96098235 XMXMDWTVNXBMGY-UHFFFAOYSA-N 351.421 1.032 0 40 FDAB C[C@H](C(=O)OCC(=O)OCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 725421449 APGGNJLOKYOUBN-SWLSCSKDSA-N 362.378 1.873 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1C 575423139 OMBKKDPOPGXYOH-CQSZACIVSA-N 360.501 1.266 0 40 FDAB O=C(CCc1cccnc1)N1CCC2(CC1)CO[C@H](CN1CCOCC1)C2 585105153 ZRDADYDACFAUFG-IBGZPJMESA-N 373.497 1.744 0 40 FDAB Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CNCCO2)ccc1Cl 585271992 ICLIDOIFMIQXEX-GOSISDBHSA-N 368.861 1.635 0 40 FDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 36647513 RRUSTUSQDIXUQP-QGZVFWFLSA-N 372.494 1.582 0 40 FDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)C[C@@H](C)O1 40081052 PRTXSSPJFSXPPP-GASCZTMLSA-N 373.519 1.065 0 40 FDAB Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C[C@H]4CCCO4)c3n2)c1 12145912 ZNHXDFYAPSXHKN-GFCCVEGCSA-N 353.382 1.373 0 40 FDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)c2n1 12337302 FADIFWKGTGQNFN-GFCCVEGCSA-N 370.388 1.927 0 40 FDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2N1 19345443 JOOZRCSPURTXHM-INIZCTEOSA-N 358.394 1.618 0 40 FDAB O=C1NCCN1C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 19402576 GCPXCBYWGFNMRB-UHFFFAOYSA-N 358.423 1.812 0 40 FDAB CCOc1cc(F)ccc1NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1 19747510 GUJZUORNOZLLPW-UHFFFAOYSA-N 363.433 1.963 0 40 FDAB Cc1nnc(N2CC(NC(=O)c3cnn(-c4ccccc4)c3C)C2)s1 1888883427 OUIOKRWBGDFPJY-UHFFFAOYSA-N 354.439 1.959 0 40 FDAB O=C(NCc1ccccc1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888921910 MPBXDNSSWPMFHT-HZPDHXFCSA-N 363.425 1.402 0 40 FDAB COC(=O)c1cc(CNC(=O)c2ccc(-n3cncn3)cc2)ccc1OC 15723126 MKSQQXWWUMFEJF-UHFFFAOYSA-N 366.377 1.993 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3OCCN(c4ccnc(C)c4)[C@H]3C2)n1 2056224947 HYPFDDWJNZGJDX-IRXDYDNUSA-N 354.410 1.523 0 40 FDAB Cc1ncnc(N(C)CC2CCN(c3ncnc4n[nH]cc34)CC2)c1F 2087044510 IBAANGWLPVRBEP-UHFFFAOYSA-N 356.409 1.943 0 40 FDAB Cc1ccc(=O)n(CC(=O)N2CCC(COc3ncnc(C)c3C)CC2)n1 1565522393 HFONFKDDAPFUSF-UHFFFAOYSA-N 371.441 1.276 0 40 FDAB COCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305650 DKLDVADUOWSJGT-INIZCTEOSA-N 373.478 1.731 0 40 FDAB O=C(COc1ccccc1)NCCn1nc(-c2cccnc2)ccc1=O 11743685 YMUQKWLKGDRHIE-UHFFFAOYSA-N 350.378 1.501 0 40 FDAB COCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]2OCC[C@H]21 2055746527 SVOYRYAQHMFSTE-HRCADAONSA-N 366.845 1.580 0 40 FDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cocn2)CC1 2055732283 ABFJUGUIBPNGMX-UHFFFAOYSA-N 360.389 1.989 0 40 FDAB COCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(F)c2)CC1 23127573 RXFXNBRDQFZKJV-UHFFFAOYSA-N 360.451 1.471 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@@H]1CCCN(c2nccs2)C1 206834457 RQYYXQZFTDRNGV-AWEZNQCLSA-N 358.467 1.906 0 40 FDAB O=C(NCc1cncc(N2CCCC2=O)c1)c1cnn(-c2ccccc2)n1 575621241 ZDIJSKZIKWLSND-UHFFFAOYSA-N 362.393 1.719 0 40 FDAB CCN1CCN(C(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CC1 20647913 BLQHCCRXYLAPLM-UHFFFAOYSA-N 362.426 1.679 0 40 FDAB O=C(NC1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 61718230 VNAWPODELMSJAV-MRXNPFEDSA-N 369.465 1.947 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 922555 BJXPWOHHHCVWAP-CQSZACIVSA-N 372.512 1.892 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1368221 WOVMYGIGZWUEOC-CHWSQXEVSA-N 360.501 1.889 0 40 FDAB C[C@H](CNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)N1CCOCC1 55300598 KRPKIAYIUKGCNH-ZYHUDNBSSA-N 357.863 1.731 0 40 FDAB NC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 25388660 VCVHEDOVBVRAMX-UHFFFAOYSA-N 372.450 1.244 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1 35490594 YTYKJHLBJCIGEN-UHFFFAOYSA-N 365.499 1.360 0 40 FDAB COC(=O)c1ccc2c(=O)n3c(nc2c1)N(CCc1ccccc1)C(=O)C3 57509331 XUQFQKOKINVIKX-UHFFFAOYSA-N 363.373 1.772 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)NC1CCCCCC1 9482608 QEPRPHRXTDOYQZ-CYBMUJFWSA-N 354.476 1.682 0 40 FDAB Cc1cccc2cc(/C=C3\NC(=S)NC3=O)c(N3CCOCC3)nc12 2285062 YSDRTZYYGJXPBN-UVTDQMKNSA-N 354.435 1.725 0 40 FDAB O=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2cccs2)cc1 28253721 HQGRVLKLFRNASB-UHFFFAOYSA-N 351.409 1.601 0 40 FDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(Cl)c2)n1 102015120 SOJOYKFGZBAKJA-XDQVBPFNSA-N 358.785 1.647 0 40 FDAB Cc1nc(C)c(CCC(=O)N2CCN(Cc3c(C)noc3C)CC2)c(=O)[nH]1 60627505 UAGQJJSPLVSGGO-UHFFFAOYSA-N 373.457 1.269 0 40 FDAB COc1ccc(-n2c(N)c(NC(=O)Nc3ccccc3)c(=O)[nH]c2=O)cc1 12371050 GWUNNPBSPLIYRW-UHFFFAOYSA-N 367.365 1.761 0 40 FDAB Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)on1 12679200 HRUAPKYYORCINJ-UHFFFAOYSA-N 365.411 1.565 0 40 FDAB COc1ccc(C)cc1CN(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 12733375 KIMXRRSSXIFBQA-QGZVFWFLSA-N 354.472 1.129 0 40 FDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1nnc2ccccn12 48398234 ZTIFPGUTQBKLMY-UHFFFAOYSA-N 374.404 1.312 0 40 FDAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)C1 48310679 QQZHCIAOKURZDF-CYBMUJFWSA-N 371.445 1.979 0 40 FDAB COC[C@@]1(C)NC(=O)N(Cc2cccc(C(=O)N3CCCCC3)c2)C1=O 66082928 JTYUSMKEZNUUIE-LJQANCHMSA-N 359.426 1.770 0 40 FDAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)O 12925152 LSGCTCHYQAFRQC-JTQLQIEISA-N 374.846 1.718 0 40 FDAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 63829125 FEAVCNVSPOMRAX-AWEZNQCLSA-N 362.389 1.910 0 40 FDAB CC(C)C(=O)N1CCN(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 14168528 NPFXOHNQDYORHB-KDOFPFPSSA-N 350.463 1.245 0 40 FDAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCNC2=O)n1 6463811 YQCZVTOAEDNYNY-UHFFFAOYSA-N 367.818 1.778 0 40 FDAB CCOC(=O)Cc1sc(NC(=O)CSc2nncn2C)nc1C 4594014 OQUBROYBIVVFBR-UHFFFAOYSA-N 355.445 1.416 0 40 FDAB CCN(C(=O)CSc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4830100 WTPGRNWFNBYIEB-LLVKDONJSA-N 353.469 1.691 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nc(C)cc(N)n1 7049366 ZPTXLLICZIMPJI-CQSZACIVSA-N 372.450 1.586 0 40 FDAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)c1C 19939171 WVKQLQPQEKTSJP-UHFFFAOYSA-N 363.421 1.923 0 40 FDAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccco2)c1 8180737 QEEALXJBSQCVLW-UHFFFAOYSA-N 359.201 1.620 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 9748184 FMIDHBKCTNQEJX-LLVKDONJSA-N 357.453 1.722 0 40 FDAB O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(F)cc1 18193965 QMYSFTWXPQEQKD-ZBFHGGJFSA-N 351.337 1.521 0 40 FDAB CCc1nc(CC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cs1 89289910 GDGUSBVFNKSVRV-DLBZAZTESA-N 359.495 2.000 0 40 FDAB CCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408596823 SJSPPHQGYZQODE-AWEZNQCLSA-N 370.471 1.391 0 40 FDAB Cn1cnnc1SCCNC(=O)c1coc(NC(=O)c2ccccc2)n1 62022991 MDHHJXZKYBHAGM-UHFFFAOYSA-N 372.410 1.578 0 40 FDAB CS(=O)(=O)c1ccc(CCC(=O)N2CC(Nc3cccnn3)C2)cc1 675007905 BXGQRLTYHJQWRQ-UHFFFAOYSA-N 360.439 1.136 0 40 FDAB CSCC[C@@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)O 4762205 PDKUVMRFXXBMEN-CYBMUJFWSA-N 354.428 1.578 0 40 FDAB Cc1ccnn1CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12 36619430 MPPDZBFEAKWEET-UHFFFAOYSA-N 365.372 1.865 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 32096604 BVKKAYVCTAOKGD-SNPRPXQTSA-N 367.471 1.526 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC(CO)(c2ccccc2)C1 556839059 XJCWJDQBSIBRIJ-INIZCTEOSA-N 350.418 1.812 0 40 FDAB COc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)c1 32088521 HXYGZJLSJSUARB-ZDUSSCGKSA-N 352.398 1.988 0 40 FDAB COCCNS(=O)(=O)c1ccc(I)c(C)c1 72414314 LLPNWECZEFXHFQ-UHFFFAOYSA-N 355.197 1.524 0 40 FDAB O=C(O)[C@H](c1ccc(Br)cc1F)N1CCn2ncnc2C1 566567386 NYWSIXUCOZTAHI-LBPRGKRZSA-N 355.167 1.821 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 79313587 HTLJIRVYNAJEFE-LSDHHAIUSA-N 358.446 1.426 0 40 FDAB COc1cccc(N2CCN(C(=O)COc3c(C)[nH]ccc3=O)CC2)c1 40285995 ATKZAICHSUMJMQ-UHFFFAOYSA-N 357.410 1.420 0 40 FDAB CCOC(=O)N1CCN(c2nc(N3CCOCC3)c3ccccc3n2)CC1 41149028 YPPZKTKHPVPERF-UHFFFAOYSA-N 371.441 1.745 0 40 FDAB O=C(O)c1cccc2c1CCCN2Cc1nnnn1CC1CCOCC1 570383902 KYEZTIPWJGAEDJ-UHFFFAOYSA-N 357.414 1.751 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1ccc2ncsc2c1 225794790 MLFFMOJOIHPMFJ-UHFFFAOYSA-N 367.390 1.125 0 40 FDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225151098 JMBDEADZIVDXGL-JQWIXIFHSA-N 362.398 1.415 0 40 FDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1CC(=O)N(Cc3ccccc3)C1)C2 225522344 CMGCXDIBAIJFLP-HOTGVXAUSA-N 352.438 1.740 0 40 FDAB CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225206371 NCOVTFZQXZBQIB-QWHCGFSZSA-N 370.471 1.773 0 40 FDAB COC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)N1S(C)(=O)=O 96217429 KPBUPADJQFYDMG-INIZCTEOSA-N 353.488 1.487 0 40 FDAB COc1ccc(NC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)cn1 95480798 BMFCYTOZHCSYTJ-HNNXBMFYSA-N 368.393 1.786 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCNC1=O 50392920 VPHKOGAZHAZYEP-VIFPVBQESA-N 363.233 1.015 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCn3nnc(Cn4cccn4)c3C2)cc1 96259548 IIXKGKCKDJJGLP-UHFFFAOYSA-N 372.454 1.426 0 40 FDAB CCCS(=O)(=O)N1CCO[C@]2(CCCN(c3ccc(C)nn3)C2)C1 96226562 XPTQTXFMGPQOIC-INIZCTEOSA-N 354.476 1.196 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(C)s3)C[C@@H]12 96057193 FSMIERGWIHYBKD-INMHGKMJSA-N 352.500 1.904 0 40 FDAB CN1C[C@H](NCc2nccs2)CCC[C@@H](C(=O)NC2CC2)CC1=O 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C[C@@H]1O[C@H](C)[C@H](C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C 637178858 QCNRMVMZRZAZPA-OQMKEHIESA-N 354.472 1.959 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1 648048897 CRFSWEPTUBTKJT-OAHLLOKOSA-N 374.359 1.839 0 40 FDAB CCN(C)[C@H]1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 1230599923 BWVOSOFCUAANMV-ZDUSSCGKSA-N 374.532 1.104 0 40 FDAB COc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCOC2)c(Cl)cc1C(=O)O 281093724 VPWDZKPPHREOTD-IUCAKERBSA-N 363.819 1.750 0 40 FDAB O=C(NC[C@H]1COCCN1C(=O)C[C@@H]1CCOC1)C1CC2(CCC2)C1 1775992975 WBLOJSWRDIQUHJ-HOCLYGCPSA-N 350.459 1.337 0 40 FDAB NC(=O)c1ncn(C2CCN(C(=O)c3sccc3C3CC3)CC2)c1N 646115969 QJFSXCJCSLTHTB-UHFFFAOYSA-N 359.455 1.980 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 575426058 LSHMZWFINMSFLW-GFCCVEGCSA-N 366.892 1.303 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 44000216 BWGFLQOZDJQIPM-UHFFFAOYSA-N 359.517 1.489 0 40 FDAB Cc1cccc2nc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)cn12 59119785 NWGCAFZQUBAARA-CYBMUJFWSA-N 350.444 1.044 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 83984927 XYLGRONKQWAZGL-BNOWGMLFSA-N 358.410 1.609 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc2C1 5272556 PAYKSTKKAPBZKH-UHFFFAOYSA-N 370.430 1.806 0 40 FDAB Cc1ccc(C(=O)N2CCN(C)CC2)cc1N1CCCCS1(=O)=O 5439527 DXADZFNZCXJCKV-UHFFFAOYSA-N 351.472 1.313 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2CC)C1 12145815 DITSUWNGEQLMRE-CQSZACIVSA-N 358.442 1.952 0 40 FDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CSc1ncnc3ccccc13)C2 12155806 FPIBISBTZZLGIP-UHFFFAOYSA-N 367.434 1.699 0 40 FDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N2N1 14607179 JVZOAEJCJWOFGI-LLVKDONJSA-N 367.331 1.960 0 40 FDAB Cc1n[nH]c2nc3c(c(OC(=O)c4ccccc4)c12)c(=O)n(C)c(=O)n3C 15988058 RYBWDGAALCAZQR-UHFFFAOYSA-N 365.349 1.036 0 40 FDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(Br)cc1 17075389 YQVCXTKKZUFZCH-LLVKDONJSA-N 367.199 1.971 0 40 FDAB CCC(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19499238 RZCXXKOAVIBPDW-MRXNPFEDSA-N 374.416 1.556 0 40 FDAB Cc1c([C@H]2CCCN(C(=O)CCCn3cncn3)C2)n2c(nc1=O)CCC2 19554777 SURVIVUDMNXNNU-HNNXBMFYSA-N 370.457 1.276 0 40 FDAB Cc1ncc(C(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)c(C)n1 19554878 AWKHWCWDYTYNKP-OAHLLOKOSA-N 367.453 1.925 0 40 FDAB CCN(C(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)C1CCN(C)CC1 19665096 HVXAHTLEDZPRSX-UHFFFAOYSA-N 358.486 1.752 0 40 FDAB CCN(C(=O)COc1ccc(-n2nc(C)cc2C)nn1)C1CCN(C)CC1 19665526 KHOMTGCNXXDAHN-UHFFFAOYSA-N 372.473 1.601 0 40 FDAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)CN3CCOCC3)c2)C1 19712269 QBVSROSHTCBCQI-ZWKOTPCHSA-N 361.442 1.314 0 40 FDAB Cn1cnc2cc(C(=O)N3CCC(CC(=O)N4CCOCC4)CC3)ccc21 19748442 NDMKAHRAICMBFZ-UHFFFAOYSA-N 370.453 1.674 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)cc(C)c2O)C1=O 6424901 ZTVAJAATRHCWQS-BJMVGYQFSA-N 369.171 1.529 0 40 FDAB C[C@@H]1C(=O)NCCCN1C[C@@H](O)COc1cccc(Br)c1 249089360 UKCLYFBMVOSLGQ-DGCLKSJQSA-N 357.248 1.399 0 40 FDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3c2nccc(C(F)(F)F)n2)OCC1=O 1888844066 VDHLUKBVXKONPQ-YWXMQNBFSA-N 356.348 1.854 0 40 FDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@@H]4C3)nn12 1888890375 GKPJZJBNYCJXLJ-GJZGRUSLSA-N 366.400 1.780 0 40 FDAB CC1CCN(C(=O)CN2CCN(c3nccc(N4CCCC4)n3)CC2)CC1 1889119380 CDGDUKBULBBUNB-UHFFFAOYSA-N 372.517 1.457 0 40 FDAB O=C(CN1CCCCC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839947 GGGBFGRWAYLMQA-FQEVSTJZSA-N 357.454 1.507 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 1614936453 YJWALIAMFBEJRB-INIZCTEOSA-N 372.410 1.323 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@H](CNC(=O)C1CC(F)(F)C1)OC2 1565546593 AKZXJQYJNCZHDG-SNVBAGLBSA-N 356.373 1.151 0 40 FDAB CC(C)N(C)CC(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 1565552118 KXOFZVCYPYAJJG-HXUWFJFHSA-N 358.486 1.763 0 40 FDAB O=C1CC(=O)NC(SCC(=O)Nc2nc(-c3ccccc3)cs2)=N1 3664371 WIKILJOUGWCSMV-UHFFFAOYSA-N 360.420 1.884 0 40 FDAB COc1ccccc1CCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 5352617 VNSABQFIKLVVLP-HNNXBMFYSA-N 362.426 1.156 0 40 FDAB CCc1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)s1 13846187 MSVWYWSOUQKGHN-UHFFFAOYSA-N 367.456 1.414 0 40 FDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055738814 SHVZONPWGZEJRG-LBPRGKRZSA-N 358.398 1.707 0 40 FDAB CCc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc2)no1 44094465 ZNNVZZRXKWDEBR-CQSZACIVSA-N 357.414 1.522 0 40 FDAB O=C(c1nc(-c2cnccn2)no1)N1CCN(Cc2ccccc2)CC1 44122345 DQJUHLHXXLWEKD-UHFFFAOYSA-N 350.382 1.485 0 40 FDAB CN(C(=O)[C@H]1CCOC1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594106 SKSPUUZZIKMWRB-ZDUSSCGKSA-N 356.430 1.075 0 40 FDAB O=C1NC2(CCOCC2)C(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 2298053048 IUVOBVQABKQQER-UHFFFAOYSA-N 359.361 1.067 0 40 FDAB Cc1ccccc1NCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 10049327 KCZCJBRETDCPLR-UHFFFAOYSA-N 366.425 1.415 0 40 FDAB CC(=O)Nc1cc(NC(=O)c2csc(S(N)(=O)=O)c2)ccc1F 31970653 GFJHFWJLVDKNFV-UHFFFAOYSA-N 357.388 1.745 0 40 FDAB O=c1c(NCc2ccccc2F)c(N2CCN(c3ccccn3)CC2)c1=O 101711888 RQQLLOXJXDBRDS-UHFFFAOYSA-N 366.396 1.755 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 32667975 ASGNHSBIVMHZHS-HNNXBMFYSA-N 357.414 1.450 0 40 FDAB O=C(c1ccccc1)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 32899985 GXXFCLASBXUIBJ-UHFFFAOYSA-N 362.389 1.293 0 40 FDAB CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 839505 WDENMYGZHHHREL-UHFFFAOYSA-N 358.423 1.461 0 40 FDAB biogenic,in-vitro C[C@@H]1CN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 78477928 HVLGOXOCPHMYAZ-BFYDXBDKSA-N 372.531 1.444 0 40 FDAB CCN(CC)[C@@H]1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1 78575134 XPEUYEQWPYVHDH-OAHLLOKOSA-N 352.504 1.690 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cnn1C 2732280 ZUXAXQYOJASGIO-OAHLLOKOSA-N 368.503 1.388 0 40 FDAB CCN1CCN(C(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1 6318751 NYTCTLWVMYOBAR-UHFFFAOYSA-N 370.544 1.580 0 40 FDAB COCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 6545279 ZTSXVCQCRIQZTF-UHFFFAOYSA-N 355.243 1.377 0 40 FDAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCO 6889156 XKIYNYUENHDVOE-UHFFFAOYSA-N 370.471 1.175 0 40 FDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC#N)c(OC)c1 7553152 RNXSGTZTZZJVJN-HNNXBMFYSA-N 361.423 1.953 0 40 FDAB N[C@H](CC(=O)O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 8701476 NXEFIRFPRVLDOA-LLVKDONJSA-N 356.791 1.405 0 40 FDAB CCc1nn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)nc2s1 12599325 TWKOIBMGUKQFQZ-MRXNPFEDSA-N 373.394 1.274 0 40 FDAB Cc1cc(N)nc(SCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 58163739 KTQSZPOCMPIFOY-UHFFFAOYSA-N 367.475 1.539 0 40 FDAB CCNC(=O)CN(CC)C(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1 58214054 RIDGVUSGQOJMKC-UHFFFAOYSA-N 363.414 1.792 0 40 FDAB COCCn1nc(C)c(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)c1C 58214449 BFFXKONUSMGRJE-SFHVURJKSA-N 356.426 1.956 0 40 FDAB Cc1ccn2cc(CNC(=O)CCNS(=O)(=O)c3ccccc3)nc2c1 58218357 KNZQPFPSCNXIIR-UHFFFAOYSA-N 372.450 1.628 0 40 FDAB NC(=O)c1cccc(CCNC(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 178886144 RMKSORUCANMOOO-PKOBYXMFSA-N 370.497 1.986 0 40 FDAB O=C(CN1CCCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCC1 28038334 OGILQMFGBHKYRP-UHFFFAOYSA-N 369.462 1.145 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)NCCC(=O)N1CCN(C)CC1 36397882 JKFSPBUGJBAOPL-UHFFFAOYSA-N 359.879 1.091 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1 60925280 NNQPEKJDOMFFBF-ZDUSSCGKSA-N 360.501 1.514 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1C(=O)O 12651253 UXRKGCCHGBNTRZ-UHFFFAOYSA-N 373.394 1.685 0 40 FDAB CCCCn1c(=O)c2c(nc3n2CCN3c2cccc(OC)c2)n(C)c1=O 12647588 LPEPYAVNOQLIKF-UHFFFAOYSA-N 369.425 1.857 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(C(N)=O)cc3)cnc12 12605388 WBWBKQZOQRCAHB-UHFFFAOYSA-N 350.378 1.833 0 40 FDAB Cc1ccc(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1C 12733869 JYCYHTHRZUEAQM-UHFFFAOYSA-N 354.453 1.893 0 40 FDAB CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 74447857 MLRODWMSGXXSIA-IAGOWNOFSA-N 350.484 1.544 0 40 FDAB CCCCn1c(N)c(C(=S)NC(=O)c2cccc(F)c2)c(=O)[nH]c1=O 3313295 FPRPTVFEEAMFEA-UHFFFAOYSA-N 364.402 1.164 0 40 FDAB COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccco2)cc1OC 3585554 QPZVIINFHKGCLF-UHFFFAOYSA-N 361.398 1.755 0 40 FDAB CCc1ccc(CN(C)C(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12905064 CXWQEHFBLGDHTP-UHFFFAOYSA-N 351.410 1.650 0 40 FDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 13000257 QYTVFCCYTKKHHN-KBXCAEBGSA-N 361.467 1.846 0 40 FDAB Cc1ccccc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 14491712 GSBIPAMPAYIUOJ-UHFFFAOYSA-N 370.453 1.472 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC(=O)NCc1ccco1 4704303 TYSBRCKZAUEADH-KRWDZBQOSA-N 372.421 1.967 0 40 FDAB COc1ccc([C@@H](CNC(=O)Cn2ccccc2=O)N2CCOCC2)cc1 69352319 ISXHJEHWSYZJTC-GOSISDBHSA-N 371.437 1.047 0 40 FDAB COc1ccc(CCNC(=O)CNc2nc(Cl)nc3[nH]cnc23)cc1 9576693 KIQKDTMBALEDBD-UHFFFAOYSA-N 360.805 1.786 0 40 FDAB CN(C(=O)CSc1ncnc2sccc12)[C@@H]1CCS(=O)(=O)C1 8395044 KXNYLRSVAAXSGD-SECBINFHSA-N 357.482 1.429 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1 89954572 BSTALUTWZZGFLS-IBGZPJMESA-N 373.497 1.781 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1 28208005 ZMFHRLGOMIWEGJ-UHFFFAOYSA-N 360.863 1.982 0 40 FDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2cc(C)nc4ncnn24)C3)n1 306130017 IUAUGHYPMQCOPN-AWEZNQCLSA-N 367.413 1.348 0 40 FDAB Cc1ccc(S(=O)(=O)/C(=C\N(C)C)C(=O)N2CCOCC2)c(F)c1 67172833 ZIFDHUWVIFHGMA-PTNGSMBKSA-N 356.419 1.170 0 40 FDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217635829 HLBSKKFMRVRACK-NEPJUHHUSA-N 372.443 1.289 0 40 FDAB COc1nn(C)cc1C(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1 38486374 SYSXJUUTUIGQSG-UHFFFAOYSA-N 371.372 1.834 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)/N=c2\sccn2C)c1 30992936 BTCIUXKFAFRTGC-ICFOKQHNSA-N 367.452 1.085 0 40 FDAB CCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(C3CC3)c2C)CC1 39990642 DFSVQNWBUZDHKZ-UHFFFAOYSA-N 360.502 1.766 0 40 FDAB CCN(Cc1ccccc1C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 42160201 BLYXQWGRHAXZCU-UHFFFAOYSA-N 373.434 1.736 0 40 FDAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN(C)C)ccc21 225727718 BIXHIPNPECRXKP-UHFFFAOYSA-N 357.501 1.703 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(O)CCSC 75157593 HTYUTTMMXMXEEU-GFCCVEGCSA-N 353.487 1.317 0 40 FDAB COc1cncc(O[C@H]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)C2)n1 225393308 QTJYMFBHOZDRKQ-AWEZNQCLSA-N 373.409 1.725 0 40 FDAB CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC 135891404 SUJCDMBYNNJRJV-PBHICJAKSA-N 361.490 1.378 0 40 FDAB O=C(NCCOc1ccccc1)c1c[nH]c(=O)n(Cc2cccs2)c1=O 77099311 WHBYYRJQOFQWPI-UHFFFAOYSA-N 371.418 1.455 0 40 FDAB COc1ccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cn1 85436182 YHPOIVNOWYQZCF-QGZVFWFLSA-N 353.426 1.607 0 40 FDAB biogenic,in-vitro Cn1cc(C(=O)N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)cn1 96228134 WQKTZWLEMIQUMR-UHFFFAOYSA-N 359.474 1.113 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 96223514 VEQNFULINXQBTL-QWFCFKBJSA-N 359.470 1.843 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 247884889 SMHPQXIBSFJITF-INIZCTEOSA-N 354.410 1.770 0 40 FDAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1)N1CCCC1 247729077 FNVUNVZAFXLFCM-OTWHNJEPSA-N 359.470 1.700 0 40 FDAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(CCC(N)=O)C1 257231769 GICRUAJJHLDJTG-CQSZACIVSA-N 372.473 1.869 0 40 FDAB CN1CCCN(C(=O)C2(C)CCN(c3ccc(N(C)C)nn3)CC2)CC1 257223290 DWRHUSUXKIVYRI-UHFFFAOYSA-N 360.506 1.313 0 40 FDAB COc1cc(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)nc(OC)n1 257237902 HITAGOVDSZGTJO-CQSZACIVSA-N 357.414 1.932 0 40 FDAB CC(C)c1nccn1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257209485 BQPAZZCACQZVGC-IBGZPJMESA-N 357.458 1.549 0 40 FDAB c1cc2nncn2nc1N1CC2(C1)OCC[C@H]2CCOCC1CCOCC1 253596224 ORBQOPZLJUIFGH-MRXNPFEDSA-N 373.457 1.553 0 40 FDAB O=C1CNC(=O)c2ccc(C(=O)NCC3CCN(CC4CC4)CC3)cc2N1 620936386 IKSJTZOFUOTRPJ-UHFFFAOYSA-N 370.453 1.220 0 40 FDAB O=C1COC2(CCN(C(=O)NCc3ccsc3Br)CC2)N1 1615589190 JOJKSTYGQPLHOS-UHFFFAOYSA-N 374.260 1.659 0 40 FDAB Cn1nnc2c(N3CCC[C@H](CNC(=O)c4ccccc4)C3)ncnc21 663689240 ICYJZVCAPZYXEI-CYBMUJFWSA-N 351.414 1.405 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCc2nn(C)c(=O)cc2C1 667677557 VQBZQFGYSXLGPC-IFXJQAMLSA-N 357.458 1.523 0 40 FDAB O=C(O)CN1CCCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O 643873840 IBLDCPSHRVEARE-MRXNPFEDSA-N 365.861 1.928 0 40 FDAB CC(C)N1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585103911 GWNYWAQMOKSPGH-HNNXBMFYSA-N 358.364 1.959 0 40 FDAB 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0 40 FDAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1cnc(C(F)(F)F)nc1 623003163 JMMBZKSDBRWKFV-LBPRGKRZSA-N 371.340 1.895 0 40 FDAB N=c1ccc(C(=O)NC[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c[nH]1 643585012 FKRNUTBWOZRVFW-XHBKTUGNSA-N 359.401 1.972 0 40 FDAB Cc1c(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cnn1C 12185141 VVRIQWXISOXILA-ZDUSSCGKSA-N 356.474 1.606 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 15756590 JOWKPVMXYYKCBI-UHFFFAOYSA-N 373.434 1.756 0 40 FDAB O=C(NCC(=O)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1)OCc1ccccc1 1888941699 BQXGFMZCPJGREX-IRXDYDNUSA-N 357.454 1.856 0 40 FDAB O=S1(=O)CC[C@@H](N2CCN(Cc3cc(-c4ccco4)on3)CC2)C1 23257427 IAKBCQHOBIIWOI-CQSZACIVSA-N 351.428 1.239 0 40 FDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 39986628 QHJWKXZOYNWZJD-UHFFFAOYSA-N 363.277 1.938 0 40 FDAB Cc1ncnc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)c1C 1614948318 YUMIWGNFCHMSPE-OAHLLOKOSA-N 360.458 1.629 0 40 FDAB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)C(=O)NC1CC1 4518958 RTEOOQUFUIORHN-OAHLLOKOSA-N 362.407 1.189 0 40 FDAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccccc1 17178649 KZLCECKRRDETSW-SFHVURJKSA-N 353.422 1.815 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccnc2OC)CC1 2055746365 UHIZYRWRDNGGRE-UHFFFAOYSA-N 358.446 1.016 0 40 FDAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1c(C)noc1C 225711846 PNEANOYLXPROGU-QGZVFWFLSA-N 366.439 1.802 0 40 FDAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cncc(N)c4)C3)cc2n1 100138296 RAZLXTITVHPUAO-LBPRGKRZSA-N 366.425 1.994 0 40 FDAB O=C1C[C@H](C(=O)NCc2cccnc2-n2cncn2)c2ccc(F)cc2N1 40108934 FDMMAMYZQAEPEP-AWEZNQCLSA-N 366.356 1.544 0 40 FDAB CN(C)C(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20720553 IWNFLDSUFDTQTL-QGZVFWFLSA-N 362.405 1.139 0 40 FDAB CCOc1ccc(N2C(=O)C[C@H](NNc3nc(C)cc(C)n3)C2=O)cc1 101744281 PODJHVRJZJWYDX-HNNXBMFYSA-N 355.398 1.741 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(OC(F)(F)F)cc1 32689066 UTDZCUIOVZPOPS-UHFFFAOYSA-N 371.271 1.477 0 40 FDAB CCN1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 32770479 AQAVTMGADQPMBH-UHFFFAOYSA-N 359.499 1.914 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1 22410899 FWTHNMKLRBQNGL-UHFFFAOYSA-N 363.420 1.683 0 40 FDAB CN(CC(=O)OCC(=O)Nc1cccc2ncccc12)c1ncccn1 23199491 WSHXFYRWQFFVPP-UHFFFAOYSA-N 351.366 1.643 0 40 FDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 3001589 MZEQOECHRBQKRG-XCMFGDQWSA-N 352.390 1.976 0 40 FDAB O=C(O)[C@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1 6272493 MSVFCXYIAXSPDM-HNNXBMFYSA-N 359.407 1.927 0 40 FDAB COCCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 12550277 SIYCIHSTTKFGLK-UHFFFAOYSA-N 367.409 1.402 0 40 FDAB COc1cc(OC)c([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc1OC 101414241 ILJAESZZSIXHAH-LBPRGKRZSA-N 357.362 1.872 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c[nH]c3ccccc23)NC(=O)N[C@@H]1C 8394776 UQRDUFOPIWRDBF-SNVBAGLBSA-N 357.366 1.843 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)CCc3ccccc3)CC2)on1 58215295 SNLIYEALWQCHGE-UHFFFAOYSA-N 356.426 1.699 0 40 FDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CN1CCC[C@H](C)C1 58298442 DDRPTEKVHQQNDO-LSDHHAIUSA-N 356.470 1.942 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1 9926911 QAAIDWGJUYCOLY-NEPJUHHUSA-N 356.831 1.832 0 40 FDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccc(C(=O)O)cc1 27976392 ULNWUGIXJCBREJ-GFCCVEGCSA-N 367.365 1.444 0 40 FDAB COc1ccc([C@@H](CNC(=O)CN2CCCCC2=O)N2CCCC2)cc1 97262581 OHCHYWULMJCVKJ-GOSISDBHSA-N 359.470 1.961 0 40 FDAB COc1cc(OC)cc([C@@H](NC(=O)c2ccc[n+]([O-])c2)c2nccn2C)c1 29130732 GUNPIZSXACJOOK-QGZVFWFLSA-N 368.393 1.590 0 40 FDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 29203099 NODZWGKCWYVLGZ-ZDUSSCGKSA-N 366.418 1.370 0 40 FDAB Cc1cc2nc([C@@H](C)NC(=O)c3c(C)cc(C)n(C)c3=O)cc(O)n2n1 100217879 DKUDDQNIKLSMIR-GFCCVEGCSA-N 355.398 1.550 0 40 FDAB C[C@@H]1CCCN(CCNC(=O)Cc2csc(N3CCCC3=O)n2)C1 46880550 PVEGYBYDAQWFOV-CYBMUJFWSA-N 350.488 1.661 0 40 FDAB NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 58144051 LBQAJOBTIGCNIE-CQSZACIVSA-N 365.455 1.232 0 40 FDAB Cc1ccc(F)cc1NC(=O)NCCN1CCN(c2ncccn2)CC1 47336301 NAFLGNCCUMZYCA-UHFFFAOYSA-N 358.421 1.868 0 40 FDAB CCC[C@H]1NC(=O)N(C[C@@H](O)COc2cccc(C(=O)OCC)c2)C1=O 12770058 GVCOAEXMUONRCM-UKRRQHHQSA-N 364.398 1.324 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3379470 XEIXJQMSGLVRAZ-LBPRGKRZSA-N 355.394 1.698 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccccc1Cl 22931744 CADMONQSVWGHDX-UHFFFAOYSA-N 350.850 1.175 0 40 FDAB CSc1cccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1 23074978 PNPAAYFQFKELPR-UHFFFAOYSA-N 362.499 1.243 0 40 FDAB O=C(c1nn(-c2ccccc2)cc1O)N1CCN(Cc2ccncc2)CC1 72857309 GNAGOEWOMSHKEI-UHFFFAOYSA-N 363.421 1.931 0 40 FDAB CC(C)CN(C(=O)C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3443605 DSJUTLPGNKIQJG-UHFFFAOYSA-N 350.463 1.954 0 40 FDAB COCCn1cc2c(n1)[C@@H](NC(=O)C1(O)Cc3ccccc3C1)CCC2 96002903 HVWONMQLEVKCIX-KRWDZBQOSA-N 355.438 1.553 0 40 FDAB Cc1cc(C(F)(F)F)nc(NCCS(=O)(=O)NCC2CCC2)n1 96006388 VYRGWXKCMPYQHR-UHFFFAOYSA-N 352.382 1.935 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 20452394 FWWCILWFYYHTHA-UHFFFAOYSA-N 359.426 1.723 0 40 FDAB 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CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CCN(Cc1ccco1)C2 306144878 ZRFZAXQUYBWEAR-IBGZPJMESA-N 370.457 1.244 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1c(NC(=O)C2CC2)sc(C)c1C 7283277 JNKPMCVZFYWVJI-QMMMGPOBSA-N 367.427 1.714 0 40 FDAB COc1ccc(OC)c([C@H]2C/C(=C3/C(=O)N(C)C(=S)N=C3O)NN2)c1 15834720 GPERYPTWSOLBGA-QGDAWOFLSA-N 362.411 1.210 0 40 FDAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1N1CCOCC1 7722991 TYKGCHQOHGTQDA-KGLIPLIRSA-N 367.519 1.922 0 40 FDAB C[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C 7825085 OTLZEDOPSXESEJ-NSHDSACASA-N 359.419 1.836 0 40 FDAB Cc1nnnn1CCNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 95945618 WYRBGWAGWMWEHH-UHFFFAOYSA-N 357.393 1.860 0 40 FDAB CS(=O)(=O)N1CCN(c2nc(C(F)(F)F)nc3ccsc23)CC1 95948991 XYKJOROEXUYPDM-UHFFFAOYSA-N 366.390 1.792 0 40 FDAB Cn1cc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)CC2)cn1 74392008 AKXYWPFDOVCNKW-INIZCTEOSA-N 361.490 1.496 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)c3nnc(C)n3c3ccccc32)cc1 64871418 RVKHEJOQWOCECT-UHFFFAOYSA-N 363.377 2.000 0 40 FDAB NC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 408963750 OYLXGBGQUOMPJU-YBEGLDIGSA-N 351.362 1.644 0 40 FDAB CC(C)C[C@H]1COCCN1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 554306602 MWGJBRXGUOSMTA-CABCVRRESA-N 361.508 1.257 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCO1 520523105 GERGEDOYISEMPM-SECBINFHSA-N 373.736 1.833 0 40 FDAB O=C(Cc1noc(C(=O)NCc2cccnc2)n1)NCc1ccccc1 36352713 BFQZKNPNILZGIH-UHFFFAOYSA-N 351.366 1.254 0 40 FDAB Cn1nc2c(c1NC(=O)CCS(=O)(=O)c1ccc(F)cc1)CCC2 38510616 AODDWSWIISTJHL-UHFFFAOYSA-N 351.403 1.850 0 40 FDAB CN1CCN(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)CC1 71283620 YTUHMCNWLQGWGF-GFCCVEGCSA-N 373.375 1.982 0 40 FDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2nnc3n2CCC3)C1=O 48279462 MAUIOZARUNFKNJ-LBPRGKRZSA-N 355.398 1.045 0 40 FDAB C[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1nnc2ccccc2c1=O 71334993 IHEFMDHYYOYHJI-RDTXWAMCSA-N 364.405 1.953 0 40 FDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCCS1(=O)=O 570524931 BPRFYIKXERPHRD-OAHLLOKOSA-N 364.398 1.551 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@@](O)(c2cccs2)C2CC2)CC1 77173595 RQZDYQDLDFCERI-INIZCTEOSA-N 372.512 1.134 0 40 FDAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)C2CCC2)CC[C@@]1(C)O 514289796 GHNYDVIYFFJYOA-XYJFISCASA-N 366.483 1.704 0 40 FDAB biogenic,in-vitro COc1ccc(CN2C[C@H]3CN(C(=O)c4cncnc4)CCN3C2=O)cc1 85436077 ZUYKBOSKAAHJIP-MRXNPFEDSA-N 367.409 1.247 0 40 FDAB biogenic,in-vitro CC(C)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@@]21CCNC1=O 96262532 WYJDHGGWBWFSLN-OAQYLSRUSA-N 370.497 1.668 0 40 FDAB CN1CCN(C(=O)[C@@H]2CC3(CCN(C(N)=O)CC3)c3ccccc32)CC1 96079366 IKTMXODDOTZVGB-MRXNPFEDSA-N 356.470 1.360 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158842 CVPFRCDTHDDTTM-UHFFFAOYSA-N 353.426 1.379 0 40 FDAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2nccn2CC(F)(F)F)C1=O 535127269 DNGNJSYZHXMINC-AWEZNQCLSA-N 370.335 1.536 0 40 FDAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1cccnc1)C2 96251142 YMBXFZGFAIUAER-YLJYHZDGSA-N 366.469 1.431 0 40 FDAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(C2CC2)n1 604382084 CQRURKZFMHIGMW-NCXUSEDFSA-N 354.454 1.439 0 40 FDAB biogenic,in-vitro CN1CCC[C@@H]2N(C(=O)Cn3c(=O)n(C)c4ccccc43)CCC[C@@]21C 257238131 HJSHUQSHOVYDJU-PXNSSMCTSA-N 356.470 1.815 0 40 FDAB O=C(CN1CCCCCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257209791 BRXAMBMTDXTCTN-QGZVFWFLSA-N 359.461 1.557 0 40 FDAB O=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2n[nH]cc2c1 1644505986 VQTIZQROLTTYDA-UHFFFAOYSA-N 350.378 1.714 0 40 FDAB COc1c(C(=O)Nc2n[nH]cc2C(=O)N(C)C)cnn1-c1ccccc1 1645095165 KKUFIKJGPGDFSG-UHFFFAOYSA-N 354.370 1.558 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2nnc3n2CCOCC3)c1C 1775960922 URJSBIIGUMAJOL-CYBMUJFWSA-N 373.457 1.702 0 40 FDAB Cn1cc(CN2CC[C@@H](N[C@H]3CCc4ccc(F)cc43)C2)c(C(N)=O)n1 1775961703 TUSPOTDONCPRQP-WBVHZDCISA-N 357.433 1.510 0 40 FDAB COC(CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCSCC1)OC 1776111239 HWAKYFLTONLYLE-UHFFFAOYSA-N 371.455 1.544 0 40 FDAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4cn(C)cn4)C[C@@H]23)n1 585094053 ZNEATBBVPABCHH-IEZWGBDMSA-N 370.453 1.817 0 40 FDAB O=C(CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1)Nc1ccccn1 585278318 RVMMTOIURYEWMV-IBGZPJMESA-N 359.401 1.465 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)CCC1CCOCC1 685942882 XOAJKIZHALMIEF-HUUCEWRRSA-N 350.463 1.945 0 40 FDAB CCOc1ccc(OCCNC(=O)CN[C@@](C)(CC)CC(=O)OC)cc1 75110466 BBIUMIYKLUKLBP-IBGZPJMESA-N 366.458 1.902 0 40 FDAB CO[C@H]1[C@H](COC(=O)c2ccccc2)O[C@H](OC(C)=O)[C@@H]1OC(C)=O 5664610 WPKMEYBOQBQROJ-MPTYRVRUSA-N 352.339 1.078 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)NCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 5027334 HTVDMLDHTTWATO-IETPZCKNSA-N 363.410 1.699 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCn1ccnc1)CC3 12221538 LGYKDMXOWPMURP-UHFFFAOYSA-N 357.439 1.438 0 40 FDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 13152984 HXAFKQFUZSHYEW-MROQNXINSA-N 354.200 1.944 0 40 FDAB CC(=O)c1ccccc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 15321891 AKITZXONTJULJS-UHFFFAOYSA-N 372.425 1.283 0 40 FDAB COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1ccccc1 15676496 XSGUIZJFXBQALZ-HNNXBMFYSA-N 363.439 1.753 0 40 FDAB biogenic,in-vitro CCc1ccccc1N1C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C1=O 101273611 QAGMTQJEGQWSIB-GXTWGEPZSA-N 364.423 1.203 0 40 FDAB Cc1cccc(CC2(O)CCN(C(=O)N[C@H]3CC[S@@](=O)C3)CC2)c1 525984239 MRTYAGHXCGJJDJ-UPCLLVRISA-N 350.484 1.595 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(c2nc(-c3ccncc3)nc(C)c2C)C1 643720394 CVWPSSAYPYNNPG-LJQANCHMSA-N 355.442 1.623 0 40 FDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(Oc2ccccc2)nc1 643943639 HDBMEYBHOHNJQT-IBGZPJMESA-N 355.394 1.980 0 40 FDAB CCN(CC)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 12233701 RGYOLDMRJCTTDX-UHFFFAOYSA-N 370.457 1.170 0 40 FDAB O=c1c2ccc(F)cc2ncn1CC1CCN(C[C@@H]2COCCO2)CC1 1849427434 WRRLNAPDXXLLED-MRXNPFEDSA-N 361.417 1.663 0 40 FDAB CCN=c1nc(N2CCN(c3ncc(Br)cn3)CC2)cc[nH]1 1888843609 GLTFGJQAVIXDDY-UHFFFAOYSA-N 364.251 1.209 0 40 FDAB Cc1cc(C)c2ccc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc2n1 1889122748 YQPNILLDQOXBRH-MRXNPFEDSA-N 356.426 1.311 0 40 FDAB Cc1cc(N2CCN(c3nccn4nccc34)CC2)nc(N2CCCC2)n1 1889148813 VERFYKJMZVVCDJ-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB COc1cnc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)cn1 2056223502 OUEJJORXLWGOIF-IBGZPJMESA-N 368.441 1.798 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542589 PRHHRXFJSBCQSQ-DNVCBOLYSA-N 355.394 1.416 0 40 FDAB CN1C(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2C1=O 5189771 JOAGGFZQEJVOMC-UHFFFAOYSA-N 358.375 1.325 0 40 FDAB Cn1nnc2c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)cnc21 12443929 WIKMOVACFCWXDC-UHFFFAOYSA-N 352.276 1.183 0 40 FDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738639 GBPFHCOPQGBQHI-GFCCVEGCSA-N 358.398 1.803 0 40 FDAB Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 585147432 YFNFSBWZZGBNAX-CQSZACIVSA-N 366.443 1.930 0 40 FDAB CC(=O)N[C@]1([C@H](O)c2c[nH]c3ncccc23)C(=O)N(C)c2ccccc21 40310346 BHQZXJJWCICVHM-VQIMIIECSA-N 350.378 1.604 0 40 FDAB biogenic CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)CC1 32710615 TYDLYIPCZQOOGW-RMKNXTFCSA-N 372.469 1.329 0 40 FDAB CCOc1ccc2nc(N3C(=O)C[C@@H]4CS(=O)(=O)C[C@@H]43)sc2c1 32831688 NAYSQHNDRSRZJC-SKDRFNHKSA-N 352.437 1.845 0 40 FDAB COc1ccccc1CNC(=O)C1=NN(c2ccc(C)cc2)C(=O)CN1 24649270 LOJLBWIVLKMMJQ-UHFFFAOYSA-N 352.394 1.570 0 40 FDAB COCc1nc2[nH]c(=O)c3c(n2n1)NC(=O)C[C@H]3c1ccc(SC)cc1 61717954 KHZVMUFDDULIPC-NSHDSACASA-N 371.422 1.760 0 40 FDAB CC1(C)OC[C@@H]([C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]2COC(C)(C)O2)O1 4758582 QWWCXQXIXFIHQA-YHUYYLMFSA-N 366.410 1.876 0 40 FDAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4906327 NVVNHYDQXQRFEH-CDPPZIPSSA-N 356.400 1.478 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 25777575 DQXKHXYTSTTWQR-AWEZNQCLSA-N 367.496 1.689 0 40 FDAB Cc1occc1C(=O)N1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 56864867 LZVZVZSYPRRIRW-HNNXBMFYSA-N 362.474 1.787 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCC1CCN(c2ccncc2)CC1 93191347 HSZMBOCJMWRXIO-UHFFFAOYSA-N 352.438 1.844 0 40 FDAB Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1 1854808 FZMKKCQHDROFNI-UHFFFAOYSA-N 350.356 1.302 0 40 FDAB in-vitro COC1(OC)[C@]2(Cl)[C@@H]3C(=O)[C@H]4[C@H]5C(=O)[C@@H]3[C@]1(Cl)[C@]5(Cl)[C@]42Cl 100019720 IXQXXDRHGCNCJI-NSVRRBTPSA-N 372.031 1.557 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)o1 58180343 QNYFNUJVVRKMGF-IBGZPJMESA-N 353.378 1.944 0 40 FDAB COC(=O)c1c(CC(=O)N[C@@H]2COc3ccccc3C2)[nH]c(C(C)=O)c1C 58203306 GFCGEXPNMKHYSY-AWEZNQCLSA-N 370.405 1.975 0 40 FDAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)s1 9366963 NQIDROPFSJOUDG-UHFFFAOYSA-N 356.458 1.777 0 40 FDAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2cnc3ccccc3c2=O)o1 36366479 RCEKWMMIXCIETJ-CYBMUJFWSA-N 353.378 1.947 0 40 FDAB COc1cccc(CN(C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 11184471 UAGNUXWOYIFRLR-SFHVURJKSA-N 369.421 1.407 0 40 FDAB COCCn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57485944 HMRPQKAOOQVGFP-UHFFFAOYSA-N 373.434 1.534 0 40 FDAB CC(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 46143924 VOUQUQVKUMMKOG-AWEZNQCLSA-N 372.252 1.850 0 40 FDAB CCc1nnsc1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 29675834 MTBROTSOZKRYNN-UHFFFAOYSA-N 367.394 1.775 0 40 FDAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)CN2CCN(c3ccccc3)CC2)C1=O 60358237 MEANVTUQMIYMSX-PXNSSMCTSA-N 374.485 1.136 0 40 FDAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 22604667 FQEWBFKZRZQBHM-GOSISDBHSA-N 372.465 1.652 0 40 FDAB CCOc1ccc2nc(NC3=N/C(=C/C(=O)OC)C(=O)N3)nc(C)c2c1 100247566 BISUXGAQNZSQTK-MDWZMJQESA-N 355.354 1.292 0 40 FDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(Cn2cncn2)cc1 48236535 JZTMHJZNUHBTQN-UHFFFAOYSA-N 360.381 1.232 0 40 FDAB CCCN(C(=O)COc1cccc(C(=O)O)c1)[C@@H]1CCS(=O)(=O)C1 13033605 DHCXFSWVGFAMTB-CYBMUJFWSA-N 355.412 1.189 0 40 FDAB COc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)cc1 49399732 BBOVEQIZUOAVNQ-UHFFFAOYSA-N 368.397 1.139 0 40 FDAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)O)C1CC1 9218055 MIKZTINPZMYEBF-JTQLQIEISA-N 361.423 1.488 0 40 FDAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)=NN1 4348914 JJPHMWSXIPRANU-UHFFFAOYSA-N 357.338 1.749 0 40 FDAB COc1ccccc1NC(=O)c1n[nH]nc1NS(=O)(=O)c1ccccc1 4389111 ZBANEJXOOGGZRA-UHFFFAOYSA-N 373.394 1.866 0 40 FDAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 21187670 UTHJCIAAPDXKCL-LBPRGKRZSA-N 374.418 1.717 0 40 FDAB Cc1ccccc1CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842442 JCOFYPNLDZOWHM-UHFFFAOYSA-N 358.419 1.992 0 40 FDAB CCC(=O)c1ccc(OCC(=O)OCn2nnc3ccccc3c2=O)cc1 7990131 UIPBDPXVCPDRON-UHFFFAOYSA-N 367.361 1.964 0 40 FDAB COCCCNC(=O)CSc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1 8013012 JBAQHULEQNPXDL-UHFFFAOYSA-N 371.440 1.236 0 40 FDAB Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C(=O)N(C)C)n(C)c3)ccc12 91578425 MTKSGNCHQSMDMS-UHFFFAOYSA-N 361.427 1.712 0 40 FDAB Cc1nc([C@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCO2)no1 95958057 UBHKYZDYLWDYMV-OAHLLOKOSA-N 356.382 1.438 0 40 FDAB C[C@H]1CCc2ccccc2N1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 8720689 MRRKZPFWGHHYQE-AWEZNQCLSA-N 373.478 1.792 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 9883255 JECODRMTGCWXFM-LBPRGKRZSA-N 361.261 1.690 0 40 FDAB CCN(CC)[C@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)C1 72303385 HXIBEFKKXAOOMP-KGLIPLIRSA-N 368.503 1.986 0 40 FDAB CN([C@H]1CC(=O)N(Cc2ccccc2)C1=O)S(=O)(=O)c1cccnc1 72313982 QZFIVPVIBRSLIA-HNNXBMFYSA-N 359.407 1.030 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCCC[C@@H]2CNS(C)(=O)=O)cs1 76176529 RJUFNVYIFJUXSD-CQSZACIVSA-N 374.532 1.420 0 40 FDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cn(Cc2ccccc2)nn1 26257742 GXOLLVRIWGUIAU-UHFFFAOYSA-N 368.397 1.226 0 40 FDAB COc1ccc(CN2CCO[C@@]3(CN(C)C[C@@H]3c3cccnc3)C2=O)cc1 306135965 PFESAZDELHOKKL-TZIWHRDSSA-N 367.449 1.917 0 40 FDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cnn2ncccc12 547325924 OJATWDXTEGMIIA-HNNXBMFYSA-N 365.441 1.065 0 40 FDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 306137836 RHSUYPVYLRCXBN-LSDHHAIUSA-N 352.442 1.260 0 40 FDAB COCc1nc(C)cc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1 548334150 NZYZEXAEYKTRKS-KRWDZBQOSA-N 361.471 1.938 0 40 FDAB COCc1nnc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)s1 524734541 PSROYTPICDKJQY-SECBINFHSA-N 351.417 1.351 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1C 524735648 PTOAWYMHBAIFLZ-UHFFFAOYSA-N 370.394 1.924 0 40 FDAB Cn1c(=O)nc(O)c2c(C(=O)NC3(C(=O)O)CCCC3)cc(C3CC3)nc21 532863015 OWXKWYRBCAVBQP-UHFFFAOYSA-N 372.381 1.039 0 40 FDAB COc1ccc2[nH]c(=O)c(C3N4CC5(C)CN3CC(C)(C4)C5O)cc2c1 79196032 JNUHCAALXYTVPB-UHFFFAOYSA-N 355.438 1.554 0 40 FDAB biogenic NC(=O)COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 31284586 QPTGJUSJKRQKLF-GFCCVEGCSA-N 357.366 1.131 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 71283342 XLAFSXXHMPZZBR-SQNIBIBYSA-N 368.481 1.847 0 40 FDAB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccco3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13410169 OBTBBJPBCHWTRO-MCZMQQNQSA-N 353.371 1.406 0 40 FDAB biogenic O=C(O)CCCCCN(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 217375888 CSZIXIFYALUMAN-INIZCTEOSA-N 367.467 1.890 0 40 FDAB CC(=O)Nc1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 85436224 MWBNJMJSOPZRGU-LJQANCHMSA-N 372.469 1.746 0 40 FDAB biogenic,in-vitro O=C(CCS(=O)(=O)c1ccccc1)N1CCC2(CC1)OCCCO2 75156643 PCNPXGWDSLKDLW-UHFFFAOYSA-N 353.440 1.606 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 227169412 YXUSCYLHLBZCCC-CYBMUJFWSA-N 365.455 1.572 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 48230107 NHHVYROCIUIXFU-UHFFFAOYSA-N 364.471 1.286 0 40 FDAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCO)c2ccccc2)cc1 223540652 CVNQMNAEFOKZRB-IBGZPJMESA-N 356.422 1.894 0 40 FDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)OC)c2C)C1 222611212 BTPUCXPYCNVPFC-CYBMUJFWSA-N 368.455 1.782 0 40 FDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)COc1ccccc1 224359514 WUPBTLGRUXRXDW-UHFFFAOYSA-N 357.414 1.397 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 97953834 ZZWPJHUXVXONEM-UAGQMJEPSA-N 353.426 1.514 0 40 FDAB O=C(Cc1ccccc1)N1CCOC2(CCN(c3ncccn3)CC2)C1 96158976 BZHKAMQGCDSKMF-UHFFFAOYSA-N 352.438 1.917 0 40 FDAB CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O 514288409 CWYYBLFGCHUQKZ-YESZJQIVSA-N 356.488 1.134 0 40 FDAB biogenic,in-vitro Cc1ccc([C@H]2[C@H](C(=O)Nc3c(C)nn(C)c3C)OCC(=O)N2C)cc1 96181402 RYDZDGREMDDDAJ-ZWKOTPCHSA-N 356.426 1.882 0 40 FDAB CNC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cn1 333073125 PDEMZYASHDYUMS-HIFRSBDPSA-N 358.442 1.352 0 40 FDAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96042866 KOIKHQFWOTVOOS-KFKAGJAMSA-N 359.470 1.399 0 40 FDAB O=C(OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O 245240329 PDZQDZYDKNSOJM-MQYQWHSLSA-N 370.398 1.855 0 40 FDAB O=C(N[C@H](c1nnn(C[C@@]2(O)CCCOC2)n1)C1CC1)c1ccccc1 585091652 GOXCQUOBRVIAID-YJBOKZPZSA-N 357.414 1.096 0 40 FDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CO)cc1 242750359 ZNPNBRPOGYECEM-ZACQAIPSSA-N 367.854 1.978 0 40 FDAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)cs1 248012404 GJJLCHJUAUSUTN-MRXNPFEDSA-N 365.499 1.824 0 40 FDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4ccncc4)CC2)[C@H]3C1=O 249698249 VSEZDCVWCRRUNX-DCXXXQMHSA-N 367.449 1.590 0 40 FDAB COCC(=O)N1CC[C@@H](Cc2cncc(-c3cccc(C(=O)O)c3)n2)C1 257235327 GXIQLPTUNNQHJJ-ZDUSSCGKSA-N 355.394 1.879 0 40 FDAB CS(=O)(=O)c1ccc(Sc2ccc(S(C)(=O)=O)cc2N)c(N)c1 255190155 VHXVNTBNFMJHEF-UHFFFAOYSA-N 372.493 1.809 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCOc1ccccc1 257325822 WUOIYWDCBLGSJD-CQSZACIVSA-N 351.428 1.266 0 40 FDAB NC(=O)CN1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257235028 GWCQIJPOODHRBL-SNVBAGLBSA-N 366.347 1.909 0 40 FDAB C[C@@H](Cc1ccccn1)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 253608690 URFGMBNNILHMLY-TZUPDSNESA-N 355.438 1.550 0 40 FDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3)nc2n(Cc2ccccc2)c1=O 257289652 PZPSGYMAEVIVAE-INIZCTEOSA-N 350.422 1.958 0 40 FDAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC[C@@H]1O 257268024 MJXRCKWMJNOCQJ-YJBOKZPZSA-N 370.453 1.814 0 40 FDAB CCCN(CC(=O)NC)C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 620009365 VABVFCMCHCCELL-UHFFFAOYSA-N 359.474 1.811 0 40 FDAB Cc1nnc(CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)s1 1678392671 OBFGMPZDKCOFOD-UHFFFAOYSA-N 359.458 1.096 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)O 653496638 ACCZTNPMQVAYFB-CYBMUJFWSA-N 350.396 1.373 0 40 FDAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2cccc(F)c2)c2cccc(O)c2)C1 575422301 URODARMXZOUZCD-IRXDYDNUSA-N 351.399 1.696 0 40 FDAB O=S(=O)(NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 585111949 FGZVBBCRQYHSOZ-OAHLLOKOSA-N 366.512 1.973 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)NC(=O)CO2 55449559 ZUXCAGVLZWNBJN-UGFHNGPFSA-N 358.394 1.964 0 40 FDAB CSc1nc(C(=O)NCCS(=O)(=O)C(C)(C)C)c2ccccn12 78679404 MDSJXGVLROKNLT-UHFFFAOYSA-N 355.485 1.999 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCc1ccccn1 104048321 XZNNMBDLBJZIGL-UHFFFAOYSA-N 359.451 1.902 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCc3c(cnc4cc(C)nn34)C2)c1 218870091 YGKXDYNYZPVLPC-UHFFFAOYSA-N 370.434 1.987 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3ccc(C4CC4)n3)CCO2)c1 1615085773 UXTPACZAMNTDJS-OAQYLSRUSA-N 369.465 1.902 0 40 FDAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)N1CCCC1=O 5991449 LKCROZPCKOCATO-UHFFFAOYSA-N 373.192 1.415 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 15756139 RXLNNUDKIRPWDR-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB Cc1nonc1CC(=O)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 19558992 KDBOKQOQCGIDQG-OAHLLOKOSA-N 366.381 1.430 0 40 FDAB Cc1noc(C)c1C(=O)N1CCO[C@H](C(=O)N(C)CCc2ccccn2)C1 19747348 COACQEFLLWSCPQ-INIZCTEOSA-N 372.425 1.229 0 40 FDAB COCCN(C(=O)/C=C/c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 4392154 KUAFUDGPXRBIBH-PXTSUWAFSA-N 353.440 1.371 0 40 FDAB C[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H](c2nc(C3CC3)no2)O1 623173482 JDLKDHUHBWHRBJ-BXKDBHETSA-N 351.794 1.786 0 40 FDAB O=C(CCC1CCCC1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583337 QFZBFGXUIQCLQR-UHFFFAOYSA-N 373.501 1.932 0 40 FDAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)cc1 19670427 XGACPAKNHCVIDK-QGZVFWFLSA-N 372.513 1.816 0 40 FDAB Cn1ccc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1=O 1888850250 BOASWQVVYKVXDU-IRXDYDNUSA-N 351.406 1.002 0 40 FDAB CNC(=O)[C@@]1(C)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 2037655569 GNFQROAEHVNHRE-LJQANCHMSA-N 358.394 1.982 0 40 FDAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 1565544691 OCRPMIDWYSALCD-QAPCUYQASA-N 373.482 1.829 0 40 FDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1 2720360 PRMDTYKXDMRXGN-UHFFFAOYSA-N 366.399 1.722 0 40 FDAB CC(C)NC(=O)CSc1nc(O)cc(CC(=O)NCc2ccccc2)n1 22629241 OTRGLVXGZVLKTQ-UHFFFAOYSA-N 374.466 1.658 0 40 FDAB O=C(c1ccc(O[C@@H]2CCSC2)nc1)N1CCN(c2ncccn2)CC1 225715108 LPMTWXLUIKGDRM-OAHLLOKOSA-N 371.466 1.718 0 40 FDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)cs1 31669018 VEWJGUVJYSIFEZ-UHFFFAOYSA-N 354.409 1.517 0 40 FDAB Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101855435 FIJUQUJXUAZFNO-GREKMHCPSA-N 360.797 1.866 0 40 FDAB COc1cccc(C(=O)NCCNC(=O)c2cnc3c(c2)c(C)nn3C)c1 32909862 WWDADGWEGMBHDN-UHFFFAOYSA-N 367.409 1.445 0 40 FDAB Cc1ccc(-c2nnc(SCc3cc(=O)n4nc(N)[nH]c4n3)n2C)cc1 103936758 JNVSUNMPAJSPTE-UHFFFAOYSA-N 368.426 1.396 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@H](C)O1 42697330 DTKYHDPAXXOXOH-GJZGRUSLSA-N 357.458 1.885 0 40 FDAB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 1091559 JUXBTDMKFADEDD-NOXHYTERSA-N 364.195 1.645 0 40 FDAB O=C(Cc1ccc(F)c(F)c1)NS(=O)(=O)N1CCc2ccccc21 79075420 RBJGESOJLOPRLY-UHFFFAOYSA-N 352.362 1.931 0 40 FDAB CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[C@H]1S(C)(=O)=O 79110782 HDKWOZURGSJGEI-ZIAGYGMSSA-N 374.484 1.520 0 40 FDAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1 24970390 GSOVXFVRBBNQSP-ZFWWWQNUSA-N 364.423 1.387 0 40 FDAB CCOc1cc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)ccc1O 4908604 BZSJGXXUXHBPLL-DHSIGJKJSA-N 362.382 1.448 0 40 FDAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)CNC(=O)NC1CC1 56378144 HQDKQLKAYMXBRQ-ZIAGYGMSSA-N 368.478 1.790 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c(C)c1 7833908 FPYUBMVVGDXEPD-UHFFFAOYSA-N 359.426 1.709 0 40 FDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 101083643 JSEHDOFELMGHLB-UHFFFAOYSA-N 374.241 1.648 0 40 FDAB C[C@H](C(=O)Nc1ccc2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 107355152 DEYLZSSVDTVPFE-ZPWNPBNNSA-N 365.389 1.724 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)nc2n1 29074902 AVQOQPCSSLYHCB-CYBMUJFWSA-N 362.397 1.761 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1OC 2636953 LIBKNWGVTFHIBH-SFHVURJKSA-N 364.398 1.813 0 40 FDAB Cn1c(NC(=O)/C=C/c2ccc(Br)cc2)cc(=O)n(C)c1=O 2737369 AGGMOCAEAIQGGZ-VMPITWQZSA-N 364.199 1.498 0 40 FDAB C[C@H](C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)n1ccnc1 46901454 AFWNHXNNFZBOTD-ACJLOTCBSA-N 355.398 1.419 0 40 FDAB O=C1COc2ccc(C(=O)NC3CCN(c4ccccn4)CC3)cc2N1 47123586 NFWPDZYKYDOYGA-UHFFFAOYSA-N 352.394 1.811 0 40 FDAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nc2cc(S(N)(=O)=O)ccc21 12628201 KCEKVRXRMDKOAT-PRHODGIISA-N 355.441 1.500 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3cn[nH]c23)cc1 48250414 PFQHLTMQHIIYAA-UHFFFAOYSA-N 358.423 1.743 0 40 FDAB COc1ccc(CNC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3306729 OQMKTQCCEQKOPW-UHFFFAOYSA-N 353.378 1.905 0 40 FDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)CC1 13088773 BOPUWBSLZBYINP-UHFFFAOYSA-N 368.455 1.193 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 14135353 BTOGXGNMYDIURE-UHFFFAOYSA-N 351.472 1.294 0 40 FDAB Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 6590721 SBKKTBHQSBBTHB-UHFFFAOYSA-N 356.378 1.963 0 40 FDAB COc1ccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1F 6553437 YGGDTYZQRJBVNI-UHFFFAOYSA-N 352.753 1.283 0 40 FDAB COC(=O)c1cc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc(C(=O)OC)c1 66280816 FHRWCJHRGBFDMJ-ZDUSSCGKSA-N 365.386 1.281 0 40 FDAB COC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCC3 6760451 CRMQWWJDEDAWQI-UHFFFAOYSA-N 370.430 1.935 0 40 FDAB Cc1ccc2c(c1)CC[C@H](C(=O)NS(=O)(=O)c1c(C)noc1C)O2 408478951 FDFPVLIPFUVFJB-CQSZACIVSA-N 350.396 1.799 0 40 FDAB COc1ccc(-c2cnc3n2CC2(CCN(CC(=O)N(C)C)CC2)C3)cn1 306144052 YUMNXFQGYZBKPE-UHFFFAOYSA-N 369.469 1.680 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 16206248 CIVGSXIWNWWOQD-CQSZACIVSA-N 357.410 1.507 0 40 FDAB COc1ccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 8035445 IAAUPFKTIUUUGZ-UHFFFAOYSA-N 373.434 1.440 0 40 FDAB C[C@H]1CCCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)C1 8132673 YHTBTGGLBJOBKQ-RYUDHWBXSA-N 373.500 1.397 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)Cc1ccccc1 8314294 JEZCADULHKTHTM-UHFFFAOYSA-N 357.385 1.582 0 40 FDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306134671 NVBBDTKDILQJLC-OAHLLOKOSA-N 354.410 1.710 0 40 FDAB COc1ccccc1NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1 8752332 UOLVOBBZPWDVPI-UHFFFAOYSA-N 357.366 1.659 0 40 FDAB COc1ccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 408620377 IMDYNSAOZKEKBX-ZWIFTTPZSA-N 353.374 1.897 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NC3(C(=O)O)CCCCC3)CC2=O)cc1 72276978 IIRVWAOSXCDFHW-ZDUSSCGKSA-N 360.410 1.952 0 40 FDAB COc1ccc(CN(C)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 72303983 HKTRKOGOIBWYKE-UHFFFAOYSA-N 366.443 1.600 0 40 FDAB Cc1cc(C(=O)N2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)[nH]n1 95998262 NCLGKWHTIMLMOE-ZDUSSCGKSA-N 373.379 1.029 0 40 FDAB O=C(Nc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998788 RLAFFORNGJZNTL-OAHLLOKOSA-N 353.444 1.345 0 40 FDAB CCN(CC)C(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252854 RLVAZJYASSDLGY-UHFFFAOYSA-N 358.460 1.972 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NC1(C(=O)O)CCCCC1)C2=O 89657332 RIBRLOGEMFRAIQ-UHFFFAOYSA-N 358.394 1.885 0 40 FDAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)OC2=O)c(OC)c1OC 89917866 HJVQKPYQXQSBMA-GFCCVEGCSA-N 351.399 1.855 0 40 FDAB O=C(Cn1c(S)nnc1-c1cccs1)N1CCC2(CC1)OCCO2 24998378 GNEGUELVTAAAGJ-UHFFFAOYSA-N 366.468 1.661 0 40 FDAB Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1 24543578 MSKDGSFBRKMZBM-ZPHPHTNESA-N 357.391 1.634 0 40 FDAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)cc1 60049644 AJELNNGYLAEKQK-UHFFFAOYSA-N 351.380 1.984 0 40 FDAB COc1cc2nc(CSCCNC(=O)C3CC3)[nH]c(=O)c2cc1OC 36359183 AXPHHKKHKVXVLR-UHFFFAOYSA-N 363.439 1.700 0 40 FDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 74192898 LCVPDFSLYKIUOG-LBPRGKRZSA-N 360.382 1.376 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCn2cnc3sccc3c2=O)n1 48299724 RVNNSGNFOPZMEJ-UHFFFAOYSA-N 359.455 1.868 0 40 FDAB 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O=C(CCc1c[nH]c2ccccc12)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91656819 PMDIEISULWMMTA-NRFANRHFSA-N 369.465 1.934 0 40 FDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@H]1COCCO1 95365206 UJRSCXLUSABVLY-SFHVURJKSA-N 354.406 1.615 0 40 FDAB Cc1ccc(N([C@@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1C 409411746 ZLBSKCUCOUXXEK-GOEBONIOSA-N 354.472 1.753 0 40 FDAB CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 8936918 FHLJJOUBYOYJAC-LLVKDONJSA-N 364.345 1.561 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 24725954 NPYDIIDAVNRPES-OAHLLOKOSA-N 360.410 1.653 0 40 FDAB CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 35877048 XEPMBUIGQIHSGV-GBESFXJTSA-N 373.497 1.527 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCC(C)CC1 408597809 YKNQNOGPVJZTQU-CQSZACIVSA-N 354.472 1.929 0 40 FDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)N1CCc2ccccc21 32647290 AREIGXWERHWILE-UHFFFAOYSA-N 364.361 1.152 0 40 FDAB CN1C(=O)c2ccc(C(=O)NC[C@H](O)c3ccc(F)c(F)c3)cc2C1=O 31296391 XPDWWEMEYYIKON-HNNXBMFYSA-N 360.316 1.654 0 40 FDAB COC(=O)c1ccc(C(=O)NCC2CCN(c3ncccn3)CC2)cc1 43977155 LLWLWNZJCWIXAW-UHFFFAOYSA-N 354.410 1.910 0 40 FDAB O=C(/C=C/c1ccco1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330190 LKWFWKDOKUFCOR-ONEGZZNKSA-N 369.425 1.268 0 40 FDAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCN1CCOCC1 222905653 IICCGYKNFNUBHL-OAHLLOKOSA-N 365.449 1.401 0 40 FDAB Cn1nc(OCCC(=O)N2CCOCC2)c2cc(Br)ccc21 226865298 MPSIJIBHAJQZGP-UHFFFAOYSA-N 368.231 1.964 0 40 FDAB Cc1cccc(CN2Cc3ncn(C)c3[C@H](COCC(=O)N(C)C)C2)n1 96044878 FTKBFLSGJMLSON-HNNXBMFYSA-N 357.458 1.328 0 40 FDAB Cc1ccc(N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)nn1 96065366 VXJNDSPXUDHTBC-ZACQAIPSSA-N 353.426 1.623 0 40 FDAB O=C(NCC1CC1)[C@H]1CN(C(=O)NCc2ccccc2)Cc2cncn2C1 96260688 WUYDLKHVIBFXQP-KRWDZBQOSA-N 367.453 1.751 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccsc1)C2 96050358 ICKFEPKEEFGAHC-QGZVFWFLSA-N 359.455 1.045 0 40 FDAB O=C1NCC[C@]12CN(Cc1cccnc1)CC21CCN(CC2CC2)CC1 96036349 VAKAIYVGNPDGPW-NRFANRHFSA-N 354.498 1.896 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@@H](O)C=C4[C@H](C2)N(C)CC[C@@]431 96316398 LQIKGKFOKAXCRM-QPOHIBMRSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)c2ccco2)CC3)C1=O 96036508 VZSOCYHQKHAZLP-FQEVSTJZSA-N 373.453 1.603 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCN(C(=O)c4ccncc4)C3)ccnc12 257265763 MADYRMBMALVECO-AWEZNQCLSA-N 364.409 1.456 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257207274 BHAYIHRYVWONJG-LBPRGKRZSA-N 357.414 1.115 0 40 FDAB Cc1n[nH]c(C)c1CC(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257225368 FFXKQLPBYIHKBE-UHFFFAOYSA-N 356.474 1.560 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)N2CCN(C(=O)N(C)C)CC2)c1 611737554 DIVLVSSOPCROMA-CYBMUJFWSA-N 364.446 1.774 0 40 FDAB CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C 1645152177 ULZWNLPZVHTKFT-OAHLLOKOSA-N 369.425 1.951 0 40 FDAB C[C@@H](C(=O)N1CCCN(c2nccs2)CC1)n1cnc2c(N)ncnc21 667221441 QWUIFNHKUZDKSG-NSHDSACASA-N 372.458 1.165 0 40 FDAB Cc1c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)cnn1C 291951425 QOEYTTMZBCHPJA-UHFFFAOYSA-N 351.384 1.577 0 40 FDAB COCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@@H](C)C2 585097361 JJWRQXFVUHPKLP-LBPRGKRZSA-N 354.414 1.398 0 40 FDAB CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)c3ncn(C)n3)CC2)c2ccccc21 585109825 YASZTGBCASAXTP-OAHLLOKOSA-N 369.425 1.106 0 40 FDAB O=C(CCc1cncnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108858 YCSHBIUVSWLICM-BJLQDIEVSA-N 368.437 1.779 0 40 FDAB Cn1cnc(C(=O)N2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)n1 585109317 IOKXZODOXXWGAC-ULQDDVLXSA-N 353.426 1.058 0 40 FDAB CC(C)n1cnnc1SCC(=O)N1CCN(c2nccs2)CC1 28507311 AAUIGYJOLWFISR-UHFFFAOYSA-N 352.489 1.756 0 40 FDAB Cc1nc(C)c(C)c(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)n1 685941424 WSIQMYJUYQPYKV-RRFJBIMHSA-N 358.446 1.490 0 40 FDAB Cc1ccc(-c2nnn(CC(=O)N(C)C3CCN(C(C)C)CC3)n2)cc1 74055229 DERURIMMWPPTKY-UHFFFAOYSA-N 356.474 1.980 0 40 FDAB O=C(CN1CC[C@H](c2cc(O)nc(O)n2)C1)N1CCC[C@@H]2CCCC[C@H]21 639731696 OPQLMWNQSQEKDW-OFQRWUPVSA-N 360.458 1.858 0 40 FDAB O=C(NCc1cccnc1)c1cc(S(=O)(=O)NCc2cccnc2)c[nH]1 12657617 JGRNQIYQYZVIGB-UHFFFAOYSA-N 371.422 1.213 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 13633203 GBNMMILRWHOBDL-UHFFFAOYSA-N 358.460 1.249 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 17296108 AJISAVXKDVNSLW-UHFFFAOYSA-N 363.425 1.706 0 40 FDAB Cc1ccnn1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19238442 QRQQXSGPASKJGZ-MRXNPFEDSA-N 368.485 1.766 0 40 FDAB C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCN2CCOCC2)nn1 19458708 LUPHZQCXHMPVGM-CQSZACIVSA-N 361.421 1.479 0 40 FDAB CC(=O)N1CCC(Cc2nc(C)ncc2C(=O)NCc2ccccn2)CC1 19754028 YEQJZQBLGDZLPQ-UHFFFAOYSA-N 367.453 1.911 0 40 FDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cnn(-c2ccccc2)n1)C3 208036501 ROXNTJMUCAAMRV-UHFFFAOYSA-N 359.393 1.817 0 40 FDAB O=C(C[C@H](NC[C@@H]1CCCO1)C(=O)O)Nc1ccc(Br)cc1 10186520 UJYDRZAIAZUBCH-STQMWFEESA-N 371.231 2.000 0 40 FDAB CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1 583615052 JGRWOFIRVNJWJY-FZMZJTMJSA-N 358.364 1.819 0 40 FDAB C[C@H]1COC(=O)N1c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 1848356163 GWWVWRJLWYTKSZ-NSHDSACASA-N 354.432 1.036 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(C)Cc2ccco2)c1 5959641 KMZXYVGOJUCSFT-UHFFFAOYSA-N 367.379 1.674 0 40 FDAB NC(=O)C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12771323 MKBBDTXDGQQAOG-UHFFFAOYSA-N 365.282 1.964 0 40 FDAB COC(=O)c1c(NC(=O)COC(=O)c2cnn(C)c2C)sc(C)c1C 13297085 ZAKYJPKXNGFJKB-UHFFFAOYSA-N 365.411 1.989 0 40 FDAB O=S(=O)(c1cnoc1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888875855 PVLOBSWZBXRMDG-NHYWBVRUSA-N 368.390 1.474 0 40 FDAB Cn1cc(CCC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 2037908897 FIGDVJOTGQSUAS-IBGZPJMESA-N 361.417 1.924 0 40 FDAB COc1ccccc1CC(=O)N(C)C1CN(c2ccc3nncn3n2)C1 1565519359 MQROBGHTABYPDN-UHFFFAOYSA-N 352.398 1.023 0 40 FDAB Cn1ccc(N2CCC3(CCN(C(=O)C4CC(F)(F)C4)CC3)C2=O)n1 1565544771 QSFZISWWDHURGQ-UHFFFAOYSA-N 352.385 1.811 0 40 FDAB Cc1cnc(CNC(=O)[C@H]2CN(c3ncccn3)CC23CCOCC3)nc1 1565541738 WPDZRWBPYJFNGS-OAHLLOKOSA-N 368.441 1.124 0 40 FDAB O=C(CC1CCOCC1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732360 DJTRCBOPEOYVGQ-OAHLLOKOSA-N 363.458 1.297 0 40 FDAB O=C(CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)NCc1ccco1 30554451 ZQQARGMLFKFQAN-QGZVFWFLSA-N 358.394 1.884 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1ccc(Cn2cccn2)cc1 40108928 SMZBEWDRBCXDMM-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB Cn1c(SCC(=O)NCCc2cccs2)nnc1N1CCOCC1 30974796 ZOWUYROIUBVWJN-UHFFFAOYSA-N 367.500 1.164 0 40 FDAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCCCN(C)C)C2=O)cc1 20292485 ULLAZYADQCEZEQ-NTCAYCPXSA-N 360.414 1.093 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 101017566 LNBHNJBXJRJWQB-ZYHUDNBSSA-N 364.745 1.423 0 40 FDAB Cc1ccc(OCCCN2CCN(S(=O)(=O)N(C)C)CC2)cc1C 32825347 PGQKYFCOGXHJOR-UHFFFAOYSA-N 355.504 1.496 0 40 FDAB COc1ccc(OC)c2c1CN(c1nnnn1-c1ccccc1)C[C@H]2O 32808465 KWRRJUSDWKKETG-CQSZACIVSA-N 353.382 1.733 0 40 FDAB CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 22412563 SCUJQEFBDRTKEQ-UHFFFAOYSA-N 358.416 1.688 0 40 FDAB C[C@@H](OC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)NCc1ccco1 22671723 QGHCVZJBILZEAZ-GFCCVEGCSA-N 365.407 1.686 0 40 FDAB COc1ccccc1OCC(=O)NS(=O)(=O)c1ccc(F)cc1F 42255955 KFHOYWHHXMSLQV-UHFFFAOYSA-N 357.334 1.857 0 40 FDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cccc(Cl)c1 22915595 WYKJORANUOWYGP-UHFFFAOYSA-N 364.877 1.519 0 40 FDAB Cc1ccc([C@@H](C)NC(=O)COC(=O)CN(C)c2ncccn2)cc1C 23173837 BTZJXKSGQWPCKP-OAHLLOKOSA-N 356.426 1.950 0 40 FDAB C[C@H]1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)C[C@H](C)O1 12417908 JNTXCEKLJNFOJF-QWRGUYRKSA-N 356.386 1.304 0 40 FDAB O=C1CCc2cc(C(=O)COC(=O)[C@H]3CC(=O)N(CC4CC4)C3)ccc2N1 47727738 RCCXABIGNRTQSM-HNNXBMFYSA-N 370.405 1.556 0 40 FDAB Cc1ccc(C(N)=O)c(OCC(=O)N(CCC(N)=O)c2ccccc2)c1 24879270 NVYPFTHRSQCDFI-UHFFFAOYSA-N 355.394 1.381 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccccc2)cc1OC 3058061 HIZABQIIIWRJSE-UHFFFAOYSA-N 356.422 1.721 0 40 FDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 4112490 LDXMVMBHJUGHRZ-LMOYCYGVSA-N 364.195 1.909 0 40 FDAB O=S(=O)(c1cccc(CSc2nncs2)c1)N1CCOCC1 7195083 ZABRCWYWNZTVGK-UHFFFAOYSA-N 357.482 1.851 0 40 FDAB CCCc1noc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)n1 26131750 OYJXNLOKRYKWNV-UHFFFAOYSA-N 369.303 1.498 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 8549800 GWCGSGCDSPMPTQ-AWEZNQCLSA-N 354.472 1.929 0 40 FDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 58203529 QAGVNYVSMUZQLB-UHFFFAOYSA-N 350.444 1.333 0 40 FDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 58215943 KAFJMBTVIXABEH-UHFFFAOYSA-N 363.457 1.052 0 40 FDAB Cc1cc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 9112628 BUWSTDXTDJTNPZ-NEPJUHHUSA-N 357.501 1.692 0 40 FDAB COc1ccccc1CN(C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 11200764 RKZKOGDEMQCVJY-GOSISDBHSA-N 369.421 1.407 0 40 FDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1=O 45750573 VUSGTOHRFOQPFW-QGPMSJSTSA-N 369.465 1.866 0 40 FDAB Nn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O 11519018 NFCHHTXPYWLRGO-UHFFFAOYSA-N 352.419 1.792 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769287 LQOMGXFSPVGZKA-MRXNPFEDSA-N 357.410 1.086 0 40 FDAB CCNC(=O)NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262120 MNERJUKJYSIZCM-NSHDSACASA-N 367.837 1.231 0 40 FDAB CCn1cc(C(=O)NCCc2c[nH]cn2)c(=O)c2cc3c(cc21)OCO3 12323723 BNRFPUFGOAXHLG-UHFFFAOYSA-N 354.366 1.446 0 40 FDAB CCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3420948 BRBIPJYYOAKTJV-UHFFFAOYSA-N 358.435 1.765 0 40 FDAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCNC(=O)C3)c12 13002826 NXQSXDRUDJBFEN-UHFFFAOYSA-N 354.341 1.909 0 40 FDAB CCOC(=O)c1cn([C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)nn1 38534523 DUKVLBYVDIGTBA-ONGXEEELSA-N 354.363 1.090 0 40 FDAB C[C@H](C(=O)c1ccc2c(c1)CCC2)n1cnc2c1c(=O)n(C)c(=O)n2C 6033740 ISEZWTBITMNQQE-LLVKDONJSA-N 352.394 1.366 0 40 FDAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(OC)OC)C3)cc1 9317354 AJZJAWNDWCVEEA-MRXNPFEDSA-N 361.398 1.154 0 40 FDAB CCOc1ccccc1-n1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12 4370526 GVNUYOHAGBKTRP-UHFFFAOYSA-N 353.382 1.681 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1C(=O)NC1CC1)CS2 14198519 BDWIGOTZIKEYFE-KSSFIOAISA-N 359.451 1.971 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N3CCOCC3)C2)cc1 4778698 OSTHMTCPLOEZDP-AWEZNQCLSA-N 353.444 1.100 0 40 FDAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835126 XIGYCLVMXOYEJP-ZDUSSCGKSA-N 362.382 1.282 0 40 FDAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccco1 19991071 JSWCRKSAXNTSFB-LJQANCHMSA-N 356.378 1.377 0 40 FDAB CC(=O)Nc1cc(C(=O)COC(=O)[C@@H]2COc3ccccc3O2)ccc1O 16626351 JMKIYJVLVCNXHY-SFHVURJKSA-N 371.345 1.917 0 40 FDAB COC(=O)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8184373 CPLHPXSPABOJEI-LBPRGKRZSA-N 364.398 1.126 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 8389315 FERHHRVJBFOZAJ-UHFFFAOYSA-N 365.411 1.289 0 40 FDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2ccccc2oc1=O 25290323 GQAWKDXFVXHDIQ-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccccc2F)cs1 18388910 PUAFQUSFCSZIPX-UHFFFAOYSA-N 372.399 1.008 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2cccs2)NC(=O)NC1 18321716 ACEFOYOAXDYSEQ-UHFFFAOYSA-N 366.395 1.384 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1nc(N)nc(N(C)C)n1 8988123 RBZZEQVEJOLAHZ-ZDUSSCGKSA-N 374.514 1.891 0 40 FDAB COCCOC[C@H](C)NC(=O)COc1nn(C)c2nc(C)cc(C)c12 72296748 CCKAEZXFWCWOOK-ZDUSSCGKSA-N 350.419 1.132 0 40 FDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccncc1 85432577 HTUICLSSYIEBGY-MRXNPFEDSA-N 367.453 1.936 0 40 FDAB CCc1ccc(NC(=O)c2nnc(CN(C)C[C@H](O)CO)s2)cc1 95983024 MWTMIUMPPIVGRG-ZDUSSCGKSA-N 350.444 1.138 0 40 FDAB O=C(NCCc1ccc(Br)s1)c1nnc(S)[nH]c1=O 95983145 VHUBKNHILIKLNW-UHFFFAOYSA-N 361.246 1.250 0 40 FDAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)c(OC)c1 89274533 LNEVRBBEWYZDDA-UHFFFAOYSA-N 371.440 1.653 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCO[C@H]1C1CC1 89793768 NGHVZXVVMVRXNT-ZBFHGGJFSA-N 372.874 1.692 0 40 FDAB O=C1CC[C@H](NC(=O)CCOc2ccc(Br)cc2)C(=O)N1 89755394 ZUXSJXHJJVUOEX-NSHDSACASA-N 355.188 1.139 0 40 FDAB NC(=O)CNC(=O)c1cccc(OC(=O)/C=C/c2ccc(Cl)nc2)c1 89780644 YFLRSTQPNNHGMG-FNORWQNLSA-N 359.769 1.569 0 40 FDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCCn2cnnc2)c1 76066847 XKRNEYUIHARUEB-UHFFFAOYSA-N 365.459 1.175 0 40 FDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)Nc1ccc(F)cc1 67317371 IKTQEHODNOELJK-UHFFFAOYSA-N 369.400 1.933 0 40 FDAB COc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cc1 306138176 RRQOMBJIQHBUBR-LSDHHAIUSA-N 367.453 1.483 0 40 FDAB CCn1cncc1S(=O)(=O)Nc1cc(CCC(=O)O)ccc1OC 547936928 VLZDOAIDKLSXMO-UHFFFAOYSA-N 353.400 1.730 0 40 FDAB COCC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC(C)C)cc1 67896646 SKFYSKOJOHQNSF-CRAIPNDOSA-N 350.415 1.188 0 40 FDAB biogenic,in-vitro O=C(NS(=O)(=O)Cc1cccc2c1OCCO2)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 408502335 QSDCYCHPZGUHMF-UHTWSYAYSA-N 365.407 1.019 0 40 FDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 36757979 PQRNSRHKFWVQND-ZDUSSCGKSA-N 368.455 1.590 0 40 FDAB CN1C(=O)COc2ccc(C(=O)NC[C@H](CO)Cc3ccc(F)cc3)cc21 528810915 SZDAZVBXXUKDQC-CQSZACIVSA-N 372.396 1.762 0 40 FDAB CC(C)CN1CCO[C@H](CNC(=O)N2CC(=O)Nc3ccccc3C2)C1 563368795 AGWVZTSGKLDNRX-MRXNPFEDSA-N 360.458 1.507 0 40 FDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225921328 WKKLCAYCSHIHOF-HNNXBMFYSA-N 354.472 1.467 0 40 FDAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1ccc(Cn2cnnn2)cc1 225414876 FIOPSNGSGPHISC-QZTJIDSGSA-N 354.458 1.716 0 40 FDAB biogenic O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1-c1ncn[nH]1 40398107 CXORYGGRYPXVGD-UHFFFAOYSA-N 364.756 1.867 0 40 FDAB COc1cccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)c1OC 40025557 JEZKXUFWAAEWNY-BQYQJAHWSA-N 368.455 1.257 0 40 FDAB O=S(=O)(Cc1cc(F)cc(F)c1)N1CC[C@H](Oc2cccnn2)C1 225419899 LNUSSVWMLYZEDC-AWEZNQCLSA-N 355.366 1.738 0 40 FDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cccc(F)c2)n1 224183570 WUGAWKGCLAJGGK-UHFFFAOYSA-N 366.418 1.239 0 40 FDAB O=C(C1CC1)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2Cc1cccnc1 96251628 ADDPQYJBCVZRCG-DLBZAZTESA-N 363.483 1.082 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1ccsc1)CC2 96059489 KPLSKJMGIZLUKA-UHFFFAOYSA-N 369.450 1.869 0 40 FDAB O=c1cc2c(nn1CN1CCn3c(nnc3C(F)(F)F)C1)CCCC2 95472682 GFELVZGFEYBLLK-UHFFFAOYSA-N 354.336 1.206 0 40 FDAB COc1ccc2onc(CC(=O)N3CCS(=O)(=O)[C@H]4CCC[C@@H]43)c2c1 584399353 WVUCPXZZKRBILE-HOCLYGCPSA-N 364.423 1.557 0 40 FDAB CO[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96207990 RLJFBCUTQMTXHU-JQHSSLGASA-N 355.442 1.177 0 40 FDAB CS(=O)(=O)NC[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247489406 AZNGNLUCQFPSKM-QGZVFWFLSA-N 364.471 1.006 0 40 FDAB COC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242750345 ZMQZTOVLBDASGG-KURKYZTESA-N 361.419 1.699 0 40 FDAB C[S@](=O)Cc1ccc(CNC(=O)c2cccc3c2OCC(=O)N3)cc1 585082673 GECJHPURFCREJK-VWLOTQADSA-N 358.419 1.826 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C=O)CC[C@]314 253504490 GKBIDJHSEALBDH-LEBLXQRQSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro Cc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)[C@H]1O 257203979 ASLPNQNYSOWENL-BZUAXINKSA-N 353.419 1.716 0 40 FDAB O=C(N[C@@H]1CN(CCCOc2ccccc2F)C[C@H]1O)c1ccccn1 257294673 QVGHCHVUWQPFPP-IAGOWNOFSA-N 359.401 1.465 0 40 FDAB CN([C@H](C(=O)NCCCN1CCCCC1)c1ccccc1)S(C)(=O)=O 260793328 NPIWCBFNJCSMEX-KRWDZBQOSA-N 367.515 1.611 0 40 FDAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1 630219421 MWWYPCYEGOAOMO-SWMGHYKJSA-N 364.423 1.280 0 40 FDAB CCCOc1cccnc1C(=O)N1C[C@@H](NC(C)=O)[C@H](c2nccn2C)C1 1615548221 NHMUQZOZVRUJAI-HUUCEWRRSA-N 371.441 1.348 0 40 FDAB CCc1nc(C2CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)n[nH]1 659759944 HIZHRIXMQFNTKI-UHFFFAOYSA-N 358.398 1.850 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2cncn21 585096007 KDTKXADKSVLKAZ-HNNXBMFYSA-N 370.438 1.224 0 40 FDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cnccn4)CC3)[C@H]2C1 585106247 ZBALCKXKKAKURN-CVEARBPZSA-N 371.485 1.175 0 40 FDAB Cc1cc(CN2CCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC2)no1 77717063 XSLMXKRREGJIHC-UHFFFAOYSA-N 372.429 1.430 0 40 FDAB Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 5255831 YCTJOPAQCCKCOI-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12 5968492 WTCFTRBMLGJKGV-UHFFFAOYSA-N 365.418 1.919 0 40 FDAB COC(=O)[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1c1ccc(F)cc1 12157310 PZLSUAMHTSNJIB-CVEARBPZSA-N 358.369 1.851 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1-n1cnnn1 12408491 ISXHFLOXVOGFKH-NSHDSACASA-N 369.834 1.340 0 40 FDAB COCCN1C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 14129360 DCWSTZPZBMHHDY-OAHLLOKOSA-N 362.382 1.633 0 40 FDAB COCCN1CCN(c2nc(O)cc(Cc3ccc(OC)cc3)n2)CC1 19593435 DMGXWSIIDBNIKB-UHFFFAOYSA-N 358.442 1.550 0 40 FDAB CC[C@H]1C(=O)NCCN1C(=O)c1[nH]nc(-c2cc(OC)ccc2OC)c1C 19718138 FHHOKTYXVOWGPK-AWEZNQCLSA-N 372.425 1.753 0 40 FDAB O=C(COc1ccnc2c1CCCC2)N1CCN(c2ncccn2)CC1 207012619 WIDDSWCRTWYWJH-UHFFFAOYSA-N 353.426 1.478 0 40 FDAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nn1 225429017 NVTKMZYFMVQSOT-SFHVURJKSA-N 368.437 1.915 0 40 FDAB Cc1nc(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)nc(O)c1F 1888864279 GDCNMWWJSGVWRB-TXEJJXNPSA-N 361.377 1.443 0 40 FDAB Cc1nc2ccccc2nc1N1CCN(c2ncnc3ncn(C)c23)CC1 1888922129 WDWIQQSDGWPGAC-UHFFFAOYSA-N 360.425 1.942 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ncc(-c2cccc(Cl)c2)o1 20943612 GSZBCBHSGVAUJS-CYBMUJFWSA-N 363.801 1.859 0 40 FDAB O=C(/C=C/c1cccs1)N1CCn2c(COc3ncccn3)nnc2C1 1565553374 WFHAFGIHRVVXRO-SNAWJCMRSA-N 368.422 1.764 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 1565548928 IXGHXFXVXGCDTF-UHFFFAOYSA-N 356.488 1.062 0 40 FDAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n(N)c1=O 717950 RAWDMUGVGBCOIF-UHFFFAOYSA-N 360.226 1.698 0 40 FDAB Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 4337600 BWGPBXMBXMAWHJ-UHFFFAOYSA-N 364.210 1.192 0 40 FDAB COCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 4341618 XZLMCMZHIRPCSE-UHFFFAOYSA-N 361.402 1.809 0 40 FDAB CC(C)Cn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 6309078 NNNSMMBMHMGFEU-KBPBESRZSA-N 361.490 1.568 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 10330841 ATDQENSJCHTKKA-MRXNPFEDSA-N 369.421 1.451 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccc(C)nc4)CC3)[C@@H]1CN(C)C2 2055795884 NQUAYPVPKSTRNS-LAUBAEHRSA-N 370.497 1.700 0 40 FDAB COc1ccc(CC(=O)N2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771847 FBUCRQAKGHMEAW-FQEVSTJZSA-N 370.453 1.540 0 40 FDAB COc1nc(CNC(=O)c2cnn(-c3ccccc3)c2C)nc(N(C)C)n1 575605723 DJMKUYTYRFADKZ-UHFFFAOYSA-N 367.413 1.370 0 40 FDAB Cc1cc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)ncn1 585593421 CEQGUMSAEZDLBJ-UHFFFAOYSA-N 350.430 1.815 0 40 FDAB O=c1cc2c(nn1CC1CCN(CC3(O)CCOCC3)CC1)CCCC2 585501354 WZLCYRSCIKCNIQ-UHFFFAOYSA-N 361.486 1.376 0 40 FDAB Cc1nccc(-c2ccc(-c3noc(CN[C@H]4CCOC4=O)n3)cc2)n1 72339990 SKXYEZATKAAMCP-HNNXBMFYSA-N 351.366 1.907 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 20045090 BXHIWULTZOIMFY-UHFFFAOYSA-N 352.435 1.374 0 40 FDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccnc1OCc1ccccc1 40121621 OJALSNJXMITGKK-HNNXBMFYSA-N 368.393 1.265 0 40 FDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 40108388 QBNJYRJWKAFZOA-OAHLLOKOSA-N 353.426 1.456 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100570993 YUERGOBAXHUBMQ-IGISWZIWSA-N 366.417 1.907 0 40 FDAB C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)C(=O)NC1CCCC1 31641371 ZXEGYKOGCJRQKA-GFCCVEGCSA-N 358.398 1.172 0 40 FDAB Cc1[nH]c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 53679731 NDFLBODXDXVVKS-INIZCTEOSA-N 356.444 1.504 0 40 FDAB COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc(OC)c1OCC(N)=O 23306395 MAHGLSJEQPDWLB-LLVKDONJSA-N 362.382 1.960 0 40 FDAB CN(Cc1ccsc1)C(=O)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O 78964994 JAGKSGDESJIVFW-CQSZACIVSA-N 360.439 1.058 0 40 FDAB N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2383057 JMCOUWKXLXDERB-AEFFLSMTSA-N 351.406 1.850 0 40 FDAB endogenous,in-man C[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)S(C)(=O)=O 106626291 JISBPQXXFOOVMT-UTUOFQBUSA-N 358.435 1.811 0 40 FDAB CCCNC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932721 TYRHBNFDEYIENB-UHFFFAOYSA-N 356.308 1.595 0 40 FDAB Cc1nc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 6527690 OKDMFTPDAKWODX-LLVKDONJSA-N 351.453 1.334 0 40 FDAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)c1 10111442 ZQMJBHQNSBBIDV-HNNXBMFYSA-N 355.504 1.526 0 40 FDAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCOCC1 25969013 LANYZHJZUYFJGG-AWEZNQCLSA-N 352.456 1.406 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 8488522 JIPAQBUUMUVERD-VIFPVBQESA-N 360.336 1.420 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)CCc2cccs2)c(=O)[nH]c1=O 8881714 HGWCNZMUMIPETL-UHFFFAOYSA-N 350.444 1.576 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)cc1 58192828 CEGSXEBRXKMSGW-SJCJKPOMSA-N 351.424 1.317 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 44859743 DOPQIQCWHVOVMH-AWEZNQCLSA-N 359.474 1.446 0 40 FDAB Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2113399 FGZQNHTYQBQYKR-UHFFFAOYSA-N 353.758 1.984 0 40 FDAB biogenic CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)[C@@H](C)COC 45535358 FGFHVDHILGGRQF-ZDUSSCGKSA-N 359.492 1.553 0 40 FDAB COc1ccccc1CN(C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 11200783 RKZKOGDEMQCVJY-SFHVURJKSA-N 369.421 1.407 0 40 FDAB O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCOCC1 60847415 IDZNFPHPWBHHSS-UHFFFAOYSA-N 374.872 1.869 0 40 FDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O)C1CC1 47356004 LSCKEBGLSSZVIP-XLFHBGCDSA-N 351.353 1.647 0 40 FDAB Cc1nn(CC(=O)NCc2nnc3n2CCCCC3)c(=O)c2ccccc12 12758125 ZSLNOWJJCFIBSD-UHFFFAOYSA-N 366.425 1.339 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2CN2CCCC2)C[C@H](C)O1 12976739 XGMSERRCVHTRLM-HOTGVXAUSA-N 367.515 1.726 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)NCC(F)(F)F)CC2)cc1 12922962 GGUUBYPWTRUZBH-UHFFFAOYSA-N 359.348 1.132 0 40 FDAB O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c(=O)c2ccccc12 12943753 KTINOXJIWZMKIO-UHFFFAOYSA-N 351.366 1.407 0 40 FDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 12981041 IZBJGZYWOYWHDZ-NSHDSACASA-N 350.444 1.317 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1c(=O)oc2ccccc21 12995655 XFRDKYZODUOSBH-CQSZACIVSA-N 352.394 1.899 0 40 FDAB CC1(C)CC(=O)c2ccc(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2O1 13692920 XQSPQSBWJYQEPT-LLVKDONJSA-N 365.407 1.236 0 40 FDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 5342067 HSEVBIKBHLVPEN-BUXKBTBVSA-N 373.409 1.912 0 40 FDAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)CC(=O)N1CCOCC1 14124203 VPZSLRNJHBICJR-GFCCVEGCSA-N 373.375 1.823 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2ccc(N3CCCC3)nn2)CC1 4571076 JPVOHNJZCNHFMG-UHFFFAOYSA-N 373.482 1.588 0 40 FDAB COCCCn1cnnc1SCC(=O)NC(=O)Nc1ccccc1F 6589109 INUOTGYVJMJWSP-UHFFFAOYSA-N 367.406 1.894 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 6994868 FXEUYZFMNZHBFA-UHFFFAOYSA-N 351.432 1.636 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N3CCOCC3)[C@@H]2C)cc1 4985902 LERQAYLUCXNVHR-LSDHHAIUSA-N 367.471 1.488 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 67559833 RDJPOUPBJLIDBD-QWHCGFSZSA-N 369.443 1.890 0 40 FDAB Cc1cnc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cn1 15700221 PWZKEHCAIDZBGD-HNNXBMFYSA-N 354.410 1.679 0 40 FDAB Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cnc1Cl 84101607 IWIXMTVOKXACSV-ZDUSSCGKSA-N 353.831 1.418 0 40 FDAB O=C(c1ccco1)N1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 18249493 SLFHWWOYTNVNHQ-HNNXBMFYSA-N 353.378 1.370 0 40 FDAB Nc1nc(NC2CCC(N3C(=O)CCC3=O)CC2)cc(-n2cccn2)n1 92925274 JTVPEOOKUBSEER-UHFFFAOYSA-N 355.402 1.117 0 40 FDAB O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccsc2)CC1 25397369 ICELCRDWKKYHAA-UHFFFAOYSA-N 373.478 1.588 0 40 FDAB O=C(COC(=O)c1ccccc1NCCO)Nc1ccc2[nH]c(=O)[nH]c2c1 23077535 CVMKDWXIOWRHNK-UHFFFAOYSA-N 370.365 1.056 0 40 FDAB CC(C)CC(=O)NCCn1cc(C(=O)O)c(=O)cc1[C@@H](O)c1ccccc1 31160891 YTPQOAKWPUOEEC-IBGZPJMESA-N 372.421 1.791 0 40 FDAB biogenic,in-vitro CCOc1cc(NC(C)=O)ccc1C(=O)NC[C@H]1CN(C(C)=O)CCO1 38931857 VOYHAACPSNQVHU-HNNXBMFYSA-N 363.414 1.021 0 40 FDAB in-vitro O=S(=O)(C1CC1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 306132361 LGHXIMVLEWVUPW-ZWKOTPCHSA-N 365.499 1.677 0 40 FDAB Cc1cc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(C)s1 32532608 GDNIUFIEJUAFPQ-CYBMUJFWSA-N 352.437 1.807 0 40 FDAB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N[C@@H]1CSC[C@@H]1O 36635280 LRSBSEDSEOGQGJ-GRYCIOLGSA-N 352.437 1.238 0 40 FDAB NC(=O)c1cnn2c(O)cc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)nc12 72352933 ZCOWKMKJFOCHEB-SECBINFHSA-N 355.329 1.193 0 40 FDAB COC(=O)CN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1 47628293 CZTZERFMSPPXJQ-UHFFFAOYSA-N 361.442 1.820 0 40 FDAB CCCC[Sn]1(CCCC)OC(=O)C[C@H](O)C(=O)O1 196003958 GGSRTHRSSCWGGK-SQGDDOFFSA-L 365.014 1.880 0 40 FDAB Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 95477374 DALATJBJJJKQDS-ZDUSSCGKSA-N 367.858 1.884 0 40 FDAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3coc(CC4CC4)n3)C2)nn1 583618980 PEOCGPOWYUIYIJ-SFHVURJKSA-N 359.430 1.923 0 40 FDAB CCN(C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O)[C@H](C)Cc1ccsc1 333613393 XCZOQRKUPZERKS-VHDGCEQUSA-N 374.528 1.577 0 40 FDAB COC(=O)c1nc(NC(=O)c2nn(C)c(=O)c3ccccc23)sc1C 96118589 KNFLWUOHGRIZHX-UHFFFAOYSA-N 358.379 1.737 0 40 FDAB O=C(c1ccccn1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061762 WZJWCZYMBLDDOJ-VWKPWSFCSA-N 360.417 1.879 0 40 FDAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1ccccc1)CC2 96219772 URDQDKKDRLEJIB-HNNXBMFYSA-N 352.456 1.247 0 40 FDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4cc(C)on4)CC[C@@H]3C2)nn1 96249810 HNYHBWLAMIUYBV-GDBMZVCRSA-N 357.414 1.449 0 40 FDAB O=C(Cc1cccnc1)N1CCC[C@@]2(COCCN(Cc3cc[nH]n3)C2)C1 96228852 RKZIVDUJGLHIEO-FQEVSTJZSA-N 369.469 1.488 0 40 FDAB Cn1ccnc1C(=O)NCC[C@@H]1CCOC12CN(Cc1ccsc1)C2 248166280 ZZFAINILPMXYCX-OAHLLOKOSA-N 360.483 1.893 0 40 FDAB Cc1ccc(CN2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)cc1 248051596 BEACZVFAJXPTBH-KRWDZBQOSA-N 373.478 1.853 0 40 FDAB O=C(c1cnc(C2CC2)nc1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257208983 BOJWBLIZSUXETH-GFCCVEGCSA-N 355.398 1.181 0 40 FDAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccc4)C3)nc2n(C)c1=O 257265242 LXVNGZHRYJMJRS-AWEZNQCLSA-N 364.405 1.262 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(c4ncccn4)C3)ccnc12 257342297 ZOAYEJDQLXIQST-ZDUSSCGKSA-N 351.414 1.605 0 40 FDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1C[C@H](O)[C@]2(CCCO2)C1 257234506 GTVARQMGIXUTEL-YOEHRIQHSA-N 353.802 1.406 0 40 FDAB Cc1cc(CCNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)nn1C 253405869 TWEWOUOHRMWONL-UHFFFAOYSA-N 374.466 1.085 0 40 FDAB C[C@](O)(CCc1ccccc1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 368484356 SGRCVENFHMIBST-PXNSSMCTSA-N 360.454 1.266 0 40 FDAB C/C=C(\C)C(=O)N1CCC[C@@H]2CN(C(=O)c3cncc(OC)n3)CC[C@H]21 1775993358 YZAAJEDOCMUQRR-RVHVEZKLSA-N 358.442 1.905 0 40 FDAB Cn1cnc([C@@H]2CN(Cc3nc(C4CCC4)no3)C[C@H]2C(=O)NC2CC2)c1 1614995891 NKHRZNXWGCPAND-HUUCEWRRSA-N 370.457 1.565 0 40 FDAB O=C(O)c1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c(F)c1 630261858 FBBNODBKYKVLOC-AWEZNQCLSA-N 350.346 1.034 0 40 FDAB C[C@@H]1[C@H](O)CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 297390765 KKWQWFFIUIZDLN-CXAGYDPISA-N 363.433 1.985 0 40 FDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1cc(=O)c2ccccc2o1 390830257 JTPQHQCLMVYQDN-UHFFFAOYSA-N 363.329 1.214 0 40 FDAB CN(C)C(=O)[C@@H]1CC[C@H](C(=O)O)N(Cc2ccc(-n3ccnc3)cc2)C1 685940336 FBENFKKQHXYLHX-NVXWUHKLSA-N 356.426 1.626 0 40 FDAB COc1ccc(-c2ncnc(N3CCN([C@@H]4CCNC4=O)CC3)c2F)cc1 1776001890 QBDMGYNKBSCDRH-OAHLLOKOSA-N 371.416 1.302 0 40 FDAB C[C@](O)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccco1 73443549 DMLZHDFDSOJYRY-SFHVURJKSA-N 365.474 1.821 0 40 FDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)c(=O)nc2O)cc1C 631799090 IOYOUJIEHPFUKY-CQSZACIVSA-N 363.439 1.629 0 40 FDAB COCCCNC(=O)CN1CCN(C[C@H](O)c2ccccc2Cl)CC1 95949332 OFYBCSPQCZEPQX-KRWDZBQOSA-N 369.893 1.144 0 40 FDAB CC(=O)CCC(=O)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160072 XQDVHQZEBPQKQX-IBGZPJMESA-N 362.401 1.919 0 40 FDAB Cc1nccn1CC1(O)CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 12143512 HKUWTKZKECHANR-UHFFFAOYSA-N 373.409 1.353 0 40 FDAB O=S(=O)(N1CCCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1 19342977 GIXUZLWSHJEHIA-CQSZACIVSA-N 359.517 1.130 0 40 FDAB CCc1ncc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cn1 19523381 ORWGOJBBMHNJEA-GFCCVEGCSA-N 367.500 1.674 0 40 FDAB CC(C)C(=O)N(C)Cc1nc([C@@H]2CC(=O)N(C(C)C)C2)cc(N(C)C)n1 19700856 MXLJFODDAWZTBH-CQSZACIVSA-N 361.490 1.881 0 40 FDAB CNc1ncc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cn1 19718561 OBJFIJGVGKRWFC-KRWDZBQOSA-N 355.442 1.630 0 40 FDAB Cc1cccn2cc(C(=O)N3CCO[C@@](C)(C(=O)NC4CCCC4)C3)nc12 19746910 JQUXVZPGCUTLJW-HXUWFJFHSA-N 370.453 1.933 0 40 FDAB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(C3CCCC3)C1=O)OCO2 8114061 WEPQKSWBZFZNOS-SDQBBNPISA-N 358.350 1.828 0 40 FDAB O=C(CN1C(=O)CCC1=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225732045 RSSKWTLYDJJOJJ-LLVKDONJSA-N 371.315 1.229 0 40 FDAB COc1cccc(CC(=O)N2CCn3c(nnc3[C@@H]3CCCN3C)C2)c1 19767321 NMCMXMJZBYDVLS-INIZCTEOSA-N 355.442 1.638 0 40 FDAB CCn1ccnc1CN1CCN(CC(=O)Nc2cc(F)ccc2F)CC1 592136974 DKRLLZOZSIJUST-UHFFFAOYSA-N 363.412 1.938 0 40 FDAB c1nc(C2CC2)cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1888869570 YGOPZUIYWUZJJP-UHFFFAOYSA-N 367.457 1.307 0 40 FDAB CN([C@@H]1CCN(c2ncc(F)cn2)C1)S(=O)(=O)Cc1ccccc1 1888869762 JOGJUAHHOXQMTA-OAHLLOKOSA-N 350.419 1.656 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccnc1N1CCOCC1 23184199 FRXWHTUGVBQXCQ-HNNXBMFYSA-N 369.421 1.830 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nnc(C)s3)CC2)n1 1859823375 DNWVMDYZTXJYSB-UHFFFAOYSA-N 361.475 1.108 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)on1 2037873596 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ZBOOUUKGDJKURE-UHFFFAOYSA-N 368.524 1.744 0 40 FDAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 31612002 LRZHUSPQUMXRDV-KBPBESRZSA-N 358.847 1.211 0 40 FDAB CCOC(=O)N1CCN([C@H]2OC(=O)c3c2ccc(OC)c3OC)CC1 31817474 ZEMDNUBBEHNGPM-HNNXBMFYSA-N 350.371 1.647 0 40 FDAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc2c(c1)OCCCO2 32777581 SJELOPPHZBYAJN-UHFFFAOYSA-N 373.394 1.624 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NCc1ccccc1 41624593 UYVJUEDTOSULCU-ULQDDVLXSA-N 373.453 1.819 0 40 FDAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 1686724 CEKNEBXDNNDNMN-IAGOWNOFSA-N 361.354 1.366 0 40 FDAB CCOC(=O)COC(=O)c1cc(C(=O)OCC(=O)OCC)c(C)nc1C 3106542 QTWUNGGFJAZQEQ-UHFFFAOYSA-N 367.354 1.138 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 24989110 UBZULQAJAHBMLL-KRWDZBQOSA-N 362.393 1.906 0 40 FDAB COCCn1nc(C(=O)N2CCC(COc3ccccc3)CC2)ccc1=O 55424455 QEPUOUKPOMUGTF-UHFFFAOYSA-N 371.437 1.821 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1 6276397 UMAMMGXILIWOHO-UHFFFAOYSA-N 359.455 1.914 0 40 FDAB Cc1oc(C(=O)NC[C@H]2CCCOC2)cc1S(=O)(=O)N1CCCC1 55925164 RAHRYBQISRQVJE-CYBMUJFWSA-N 356.444 1.529 0 40 FDAB O=C(Cn1ccccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25639061 UULYKBCWTBKYOK-UHFFFAOYSA-N 366.343 1.611 0 40 FDAB COCCN(CCOC)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 25947028 GAGLIXBGMZGDOM-UHFFFAOYSA-N 361.442 1.908 0 40 FDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 57272207 GURKANSJPNTSAY-UHFFFAOYSA-N 365.480 1.937 0 40 FDAB O=C(CCNC(=O)c1cccs1)NCc1ccc(-n2cncn2)nc1 58060099 IBUFBHFEGFLWDO-UHFFFAOYSA-N 356.411 1.160 0 40 FDAB COc1ccc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10049283 TZWIETWQMCXOBD-UHFFFAOYSA-N 368.397 1.105 0 40 FDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccc1Cl 9582216 QGODGNZRNOQHNF-GFCCVEGCSA-N 374.846 1.670 0 40 FDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C[C@@H](C)O1 12551108 CQTZZHSXCILGAH-LAPQFRIASA-N 371.437 1.102 0 40 FDAB C[C@H](CNC(=O)c1cn(CCN(C)C)c2ccccc12)N1CCOCC1 58390822 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O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)NCc1ccco1 6561663 LJUQUMHKIMZSPN-UHFFFAOYSA-N 370.361 1.515 0 40 FDAB CCN(C(=O)c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9364806 CELKHPKHECGCNK-UHFFFAOYSA-N 370.434 1.895 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(OC)c1 5523362 WGSLSOJAXOWOKW-AWEZNQCLSA-N 352.412 1.383 0 40 FDAB Cc1c(C)n(CCN2CCOCC2)c2ncn(Cc3cccnc3)c(=N)c12 6672222 JUSNXWNECMXHJJ-UHFFFAOYSA-N 366.469 1.710 0 40 FDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 8323535 KTNKRDKXRXFBEK-OAHLLOKOSA-N 362.382 1.633 0 40 FDAB COC(=O)c1ccccc1NC(=O)COc1ccccc1P(=O)(O)O 9547562 SKAIMZQRRYBJRU-UHFFFAOYSA-N 365.278 1.294 0 40 FDAB Cn1cnnc1[C@H]1CCCN(C(=O)CCc2nc(-c3cccnc3)no2)C1 69597036 JPDULYKEPYJEBE-AWEZNQCLSA-N 367.413 1.599 0 40 FDAB C[C@H](C(=O)NCC1(c2ccc(F)cc2)CCOCC1)N1C(=O)CCC1=O 83967320 BJXNHOJZMFMOCH-CYBMUJFWSA-N 362.401 1.528 0 40 FDAB COc1ccc(-c2ccc3nnc(C4CCN(C(C)=O)CC4)n3n2)cn1 306131187 JYKAFMSJZBCELN-UHFFFAOYSA-N 352.398 1.921 0 40 FDAB CCN1CCC[C@@]2(CN(S(=O)(=O)c3cccnc3)CC(F)(F)C2)C1=O 306135936 PEXSPCKTOGNBNF-OAHLLOKOSA-N 373.425 1.740 0 40 FDAB Cc1cc(-c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)no1 1501040491 UKADDQXZWCAGNX-SECBINFHSA-N 368.444 1.288 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2nnnc2O)cc1 507853699 AXRKSEPEFPLJCE-UHFFFAOYSA-N 373.394 1.332 0 40 FDAB CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1 408596707 XPEOYWCAUZYOEZ-UHFFFAOYSA-N 358.460 1.297 0 40 FDAB O=C(CN(Cc1cccnc1)C(=O)c1csnn1)NCc1ccccc1 35291487 CEQNYLJEZRKDLY-UHFFFAOYSA-N 367.434 1.892 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 408603867 GIMLYQUBFVULPM-VIFPVBQESA-N 369.270 1.911 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCC2)cc1OC 33567770 KITNGAWKVKUDLR-GFCCVEGCSA-N 370.471 1.820 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72354757 JAABFAWMGLDNFH-AWEZNQCLSA-N 365.434 1.808 0 40 FDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc2c(c1)OCCO2 71405409 ASTIISLWFSGESD-LLVKDONJSA-N 364.383 1.151 0 40 FDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3noc4ccccc34)C2)n1 225398767 WZKLZLUEUUKXKP-ZDUSSCGKSA-N 367.409 1.906 0 40 FDAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2csc3c2CCCC3)cc1 47217950 SEOQFTADVJSCGS-UHFFFAOYSA-N 371.462 1.772 0 40 FDAB CCO[C@@H]1C[C@@](O)(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)C1(C)C 191257326 OVHSLRBRUAGXLM-SPYBWZPUSA-N 362.474 1.526 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSc2ccccc2)s1 222843646 VKHKCDIEZTVQLV-UHFFFAOYSA-N 358.470 1.567 0 40 FDAB CCN1CCN(C(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 225826419 TZHNXTORDMXJNX-UHFFFAOYSA-N 374.441 1.851 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCN2CCSC2=O)C1=O 40007642 ZRACLJYCZAMNNP-INIZCTEOSA-N 362.411 1.044 0 40 FDAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccccc3O2)C1 332522654 MYOAAEQIUUPHEQ-ZBFHGGJFSA-N 352.456 1.263 0 40 FDAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1nnc4n1CCOC4)[C@@H]3C2 333301669 SYOZWAJLHNNRFT-HSMVNMDESA-N 352.460 1.149 0 40 FDAB Cn1ccnc1CN1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 96158940 FVFWEGVTWKLAIG-UHFFFAOYSA-N 355.442 1.322 0 40 FDAB COc1cc(N2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)ncn1 96158202 XFTPPHLXMNZBRR-SFHVURJKSA-N 354.414 1.408 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)CO[C@H](COc2cccnc2)C3)n1 96208971 ABFCNYLGOCHVIZ-INIZCTEOSA-N 356.426 1.905 0 40 FDAB CCS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 96207687 WRFUPESGSAYXEQ-OAHLLOKOSA-N 354.472 1.929 0 40 FDAB O=C(c1cccnc1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96226585 RNPUGOXPGPVSOI-SFHVURJKSA-N 357.389 1.522 0 40 FDAB Cc1ccc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)cn1 248065429 DXMJNUCRWKDAPD-MRXNPFEDSA-N 364.467 1.446 0 40 FDAB Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)o1 248120094 UVGZUIXWZUAXOA-OALUTQOASA-N 350.459 1.670 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(CC2CCC2)C3)n1 253478207 JVFMYSLXBKAMTQ-HNNXBMFYSA-N 351.472 1.453 0 40 FDAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)cs1 252492104 MCVYFJORWMZPHG-MRVPVSSYSA-N 353.425 1.649 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3cncs3)cn2)C1 257344220 ZWEPVPWLUZMMQG-LBPRGKRZSA-N 367.500 1.661 0 40 FDAB CN1CCC(Cc2cnc(CNC(=O)CCCn3cncn3)cn2)CC1 257309472 UBBJKEWRNHARIZ-UHFFFAOYSA-N 357.462 1.049 0 40 FDAB CSc1ccncc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 610657418 QQYNIGBCYXIDJM-UHFFFAOYSA-N 359.454 1.252 0 40 FDAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1ccc(OCC2CC2)cc1 644348934 OZTKJCWYWVJJSM-HNNXBMFYSA-N 352.456 1.533 0 40 FDAB O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1 390830094 IROSRFNOKLXRPC-UHFFFAOYSA-N 369.468 1.178 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc1 390829721 GCMPFHYXEOJQPJ-UHFFFAOYSA-N 361.423 1.752 0 40 FDAB CCOc1cc(C)nc(N2CCN(C(=O)Nc3ncccc3OC)CC2)n1 547466392 JYEUHHNOOLMCJG-UHFFFAOYSA-N 372.429 1.941 0 40 FDAB Cn1cc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615159407 WOOYEIZNZJDLQY-LJQANCHMSA-N 358.417 1.957 0 40 FDAB COc1ccccc1NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@]1=O 5824037 ZXVIFYTUOVPUQV-BZQUYTCOSA-N 358.375 1.331 0 40 FDAB C[C@H](CN(C)C)NC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12220701 VEMDVYBDOWZISY-SPYBWZPUSA-N 364.490 1.157 0 40 FDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13573420 GHLXWEHCRWFQQO-INQMYDFZSA-N 355.438 1.842 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2O)CC1)Nc1ccc(F)cc1 18125986 FPIAHBLFRNWREP-UHFFFAOYSA-N 357.385 1.928 0 40 FDAB O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(N2CCCCS2(=O)=O)c1 19660289 WGHKETOSKCKKGC-ZDUSSCGKSA-N 365.455 1.614 0 40 FDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CC(=O)N(C)C)C1 19695990 NRAJALAWMMVQME-HXUWFJFHSA-N 370.453 1.410 0 40 FDAB CN1CCC(c2nnc3n2CCN(C(=O)Cc2ccc(F)cc2)C3)CC1 19711258 RNZZHKNNWYFYAX-UHFFFAOYSA-N 357.433 1.811 0 40 FDAB CC[C@H](c1ccncc1)N(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101208816 FIDQPCJQNVSDMJ-HITLURFISA-N 353.422 1.798 0 40 FDAB CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)C4CC4)CC3)nc12 7599449 HRJPKBNTMSPMMQ-UHFFFAOYSA-N 365.480 1.758 0 40 FDAB C[C@@H]1CCCCN1CCCNC(=O)c1c(O)nc2sccn2c1=O 22852887 GXDOUWCAUDZPGY-LLVKDONJSA-N 350.444 1.456 0 40 FDAB NC(=O)NC(=O)CCSc1nnc(NCCc2cccs2)s1 10213151 BFRJKYMWYIFKLD-UHFFFAOYSA-N 357.486 1.931 0 40 FDAB O=C1NCCC[C@@H]1N1CCC(Oc2ncc(Br)cn2)CC1 1888834392 GGFXCTAKRRQMPG-LBPRGKRZSA-N 355.236 1.361 0 40 FDAB CCc1nnc2ccc(N3C[C@@H]4CN(c5ncnc(C)c5C)C[C@H]4C3)nn12 1888897434 BSSVYJLMRWECDG-HUUCEWRRSA-N 364.457 1.666 0 40 FDAB CN([C@@H]1CCN(c2ccc3nncn3n2)C1)S(=O)(=O)Cc1ccccc1 1888906368 VWUPANZVOLPNEQ-OAHLLOKOSA-N 372.454 1.165 0 40 FDAB C[C@]1(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)CC=CCC1 1614938679 BORBDWFTUBULJT-INIZCTEOSA-N 362.455 1.083 0 40 FDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)Cn2ccccc2=O)cn1 1614935734 RQWWTFMNGRBKOB-ZWKOTPCHSA-N 370.453 1.221 0 40 FDAB COc1cnccc1C(=O)N1C[C@@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565554284 MVUZWBZPWNDGMI-HOCLYGCPSA-N 365.437 1.892 0 40 FDAB Cc1nccn1CCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 4625336 MPUBNLJZCLYZNE-UHFFFAOYSA-N 355.354 1.790 0 40 FDAB COCCNC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 13717201 DAFZYRSTVMHYSY-UHFFFAOYSA-N 356.378 1.973 0 40 FDAB Cn1cccc1C(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745704 VWAIFSRRFBSVQQ-UHFFFAOYSA-N 373.482 1.847 0 40 FDAB Cc1cncc(C(=O)N[C@H]2CCc3onc(C(=O)N4CCCC4)c3C2)c1 2055745485 DCXNSMUMXMYAHS-AWEZNQCLSA-N 354.410 1.901 0 40 FDAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1 2055812559 YYGDSXIRIXZVMA-FQEVSTJZSA-N 365.437 1.348 0 40 FDAB COc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1F 575617999 GHMPYRWDLCYZFO-UHFFFAOYSA-N 368.415 1.955 0 40 FDAB Cn1ncc2c(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)ncnc21 585502053 IZCXNXMTWZFFQA-UHFFFAOYSA-N 365.441 1.714 0 40 FDAB Cc1ccc(/C=C/CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 84766373 JDEQBQNGDNYMPM-PHXNAMCJSA-N 371.481 1.448 0 40 FDAB c1nc2c3c4c(sc3nc(NCCCN3CCOCC3)n2n1)CCC4 20501872 XAINBHJJKZBMQR-UHFFFAOYSA-N 358.471 1.962 0 40 FDAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@@H]1CCS(=O)(=O)C1 32753516 MRKQRDSZFJAWQR-SNVBAGLBSA-N 357.382 1.825 0 40 FDAB CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1 79112638 KRGXINCFMXGHIJ-HNNXBMFYSA-N 360.501 1.327 0 40 FDAB N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)O 4894779 JUHAVNXIAQKYKZ-PSASIEDQSA-N 373.228 1.226 0 40 FDAB Cc1sc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCOCC1 6679787 XDCVAONLLLPVNS-UHFFFAOYSA-N 357.413 1.318 0 40 FDAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 57688600 IFJPKQARARZRGJ-CQSZACIVSA-N 359.861 1.957 0 40 FDAB CC(C)C[C@@H](CN(C)C)NC(=O)Cn1cc(Br)ccc1=O 58004746 ZFMKMXCTNHYVOY-ZDUSSCGKSA-N 358.280 1.703 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(F)cc(N4CCCC4)c3)cnc21 58191079 LNCWJEUURCCEHX-UHFFFAOYSA-N 370.388 1.508 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)CC[C@H]3CCCO3)ccc2c1=O 58184717 IDKPPSKNJLOKOF-TZMCWYRMSA-N 359.426 1.787 0 40 FDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCN(C[C@@H]2CCCO2)CC1 58174421 HGCNHRRVHGNMLU-ZDUSSCGKSA-N 360.426 1.840 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58247802 QQAYDWKOGLGLOP-QZTJIDSGSA-N 371.441 1.391 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 100117466 PZCSHKFGVWACGW-ICDONNSOSA-N 368.481 1.748 0 40 FDAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cnn(C)c1 55989753 XCLAZBYBTZSDFC-UHFFFAOYSA-N 350.444 1.077 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cc1 36615161 QIIFRYGRBSSPLL-GFCCVEGCSA-N 352.416 1.676 0 40 FDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1 11998405 YDPWNADMRHXIRY-GFCCVEGCSA-N 372.468 1.174 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O)C1CC1 47356003 LSCKEBGLSSZVIP-XYZCENFISA-N 351.353 1.647 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1c(=O)n(C)c2ccccc21 48324293 GDIFMEHWEOGMJS-UHFFFAOYSA-N 353.378 1.727 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)CSc1nc(N)cc(N)n1)OCO2 3447968 NRABRJMDVOBMHF-UHFFFAOYSA-N 361.383 1.303 0 40 FDAB COCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12901912 VQKUZTZDMRNXCD-UHFFFAOYSA-N 359.426 1.654 0 40 FDAB biogenic Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1S(N)(=O)=O 12946136 VROZZTJQNWRMAK-UHFFFAOYSA-N 357.391 1.736 0 40 FDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1cnccn1 6486488 ONJZUPGTCWZHKS-UHFFFAOYSA-N 356.382 1.658 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)[C@@H]2C)cc1 4778706 YYTVKYPYXJLXER-ZDUSSCGKSA-N 353.444 1.563 0 40 FDAB COc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 5668308 UYZAIYLJSCYLFU-UHFFFAOYSA-N 364.423 1.963 0 40 FDAB O=c1n(Cc2cccc(NS(=O)(=O)c3cn[nH]c3)c2)nc2ccccn12 84606601 HBUAAJPHKCPQPE-UHFFFAOYSA-N 370.394 1.068 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2Cl)c1C(=O)OC 4969601 HZNSEHLSKQZWHA-UHFFFAOYSA-N 366.761 1.452 0 40 FDAB CCN(CC)CCCNC(=O)CCNc1nc(Cl)nc2[nH]cnc12 9577178 DERIYAGAACZZSH-UHFFFAOYSA-N 353.858 1.656 0 40 FDAB CSCC[C@@H](NC(N)=O)C(=O)OCc1cc(=O)oc2cc(C)ccc12 18496024 USGOGDLFTKTUQT-CYBMUJFWSA-N 364.423 1.935 0 40 FDAB COC(=O)c1cn([C@H]2CCCN(C(=O)c3nc(C)n4c3CCCC4)C2)nn1 95941080 IXKXGOIHIXOESJ-ZDUSSCGKSA-N 372.429 1.383 0 40 FDAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 79476012 DLLVKMSJYLNNCT-GFCCVEGCSA-N 353.831 1.657 0 40 FDAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C[C@H](C)O1 72335493 MIBKVPKXJROZAF-KBPBESRZSA-N 355.442 1.749 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCSCC1 41128086 INLSPOSEKQVLEM-UHFFFAOYSA-N 365.474 1.830 0 40 FDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCN2CCCCC2)cc1 225084687 GYEJLXJYUNLKHW-UHFFFAOYSA-N 365.455 1.104 0 40 FDAB CCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224307495 PSEGJDJKUCJFDL-UHFFFAOYSA-N 355.442 1.904 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccc(F)cc2)o1 44357512 MAWXKRUVVOLPAR-LLVKDONJSA-N 354.363 1.238 0 40 FDAB O=C(NCc1ccccc1N1CCOCC1)c1ccnc(N2CCCC2)n1 573287959 DTBWKNNGUAAUJN-UHFFFAOYSA-N 367.453 1.843 0 40 FDAB O=C(C1CCCCC1)N1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514290205 VPSFTUQZPZFHNC-HIFRSBDPSA-N 350.440 1.517 0 40 FDAB biogenic,in-vitro CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)CCc1ccccn1)CC2 577657338 OGRJIXXQCBKWAH-HNNXBMFYSA-N 369.469 1.728 0 40 FDAB Cc1[nH]c(=O)c(C(=O)NC[C@@H](O)CN2CCCCCC2)c(C)c1Cl 97495539 LUBJGXPYUAGUNV-CYBMUJFWSA-N 355.866 1.612 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)CC(C)C)C3)C2)cn1 96225973 HUUUBNFXEBPODG-SFHVURJKSA-N 359.430 1.195 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)c1 96253009 LXXLSZYXKCRKBJ-HYVNUMGLSA-N 364.467 1.299 0 40 FDAB CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 230487189 KRDFPENFDWKNCS-GUTXKFCHSA-N 364.442 1.580 0 40 FDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccccc2)o1 96231571 PNUVQTCMTORCAX-MRXNPFEDSA-N 373.405 1.873 0 40 FDAB CC(C)CCN1C[C@@]23CN(C(=O)NC(C)C)C[C@@H](C[C@@H]2S1(=O)=O)O3 96264061 FBQFAESNNKKCJU-YCPHGPKFSA-N 359.492 1.008 0 40 FDAB CC(=O)NCC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 96218045 CLYWPFYXKQDDLK-LJQANCHMSA-N 358.442 1.091 0 40 FDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccsc3)C2)C1 96062366 KSUYHPWNFVYWHF-GOSISDBHSA-N 360.483 1.846 0 40 FDAB CC(C)N1C[C@@]2(CO[C@@H](C(=O)NCCN3CCOCC3)C2)c2ccccc21 96144458 PMWOXOJZCLLLLO-CTNGQTDRSA-N 373.497 1.390 0 40 FDAB O=C(COc1ccc(F)cc1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 247750139 VKCYORFTGMGUOJ-INIZCTEOSA-N 373.384 1.834 0 40 FDAB CO[C@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@@]12CCCO2 257218568 DDPFZCAEDQBDIZ-HKUYNNGSSA-N 361.442 1.853 0 40 FDAB CCOc1ncccc1C(=O)N1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 257299266 RPJACMNNSJXTHH-OAHLLOKOSA-N 359.430 1.479 0 40 FDAB Cc1cc(CC[C@H]2CN(Cc3cccc(OCCO)c3)CCO2)ncn1 257201886 AJMYRSPQWHQAOL-FQEVSTJZSA-N 357.454 1.990 0 40 FDAB Brc1cnc(OC[C@@H]2CCCN(Cc3ncon3)C2)nc1 1775995613 BJTMZAURUGJUCZ-SNVBAGLBSA-N 354.208 1.913 0 40 FDAB CCN1CC[C@H]2OCCN(C(=O)c3ccc(N4CCCC4=O)cc3)[C@H]2C1 293996435 WYHVFQRKGNACNS-ZWKOTPCHSA-N 357.454 1.749 0 40 FDAB CC(C)c1ncc(S(=O)(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)[nH]1 681567702 ZSYNEOHWXWZMTE-GFCCVEGCSA-N 359.354 1.916 0 40 FDAB COc1ccc(S(=O)(=O)NCCc2scnc2C)cc1C(=O)O 391106781 DGOQBWDSAJGQPQ-UHFFFAOYSA-N 356.425 1.679 0 40 FDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3coc(C)n3)cc2NC1=O 585281963 VRWYKCFTNOIIIJ-GFCCVEGCSA-N 365.367 1.211 0 40 FDAB CC(C)CC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585285384 YCDUKKRBJBTGBL-GOSISDBHSA-N 352.406 1.724 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccnn3C)C2)o1 585112189 KYWOXDPRKKBXMD-OAHLLOKOSA-N 368.441 1.895 0 40 FDAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(C)c(F)cc2Cl)C1 685941077 QCNWVSZVEOLSOP-ZANVPECISA-N 356.781 1.839 0 40 FDAB CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)[C@H]1CCCNC1=O 1776008736 OJHJHLDKVDAFMI-HNNXBMFYSA-N 373.407 1.821 0 40 FDAB C[C@H](NC(=O)CNC(=O)c1ccco1)c1cccc(NS(C)(=O)=O)c1 40090102 GATOGTINPDCDEA-NSHDSACASA-N 365.411 1.258 0 40 FDAB O=C(O)CN1CCCC[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1=O 643872553 CRELNXMQIOMFOM-KRWDZBQOSA-N 373.453 1.347 0 40 FDAB O=C(C1CCC1)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 1549162833 WRJVYPXYLWXOHW-AWEZNQCLSA-N 360.389 1.243 0 40 FDAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)Nc2ccc(Cl)cc21 12146345 RXZDAOMIEOOLMQ-UHFFFAOYSA-N 357.801 1.918 0 40 FDAB CC(=O)OC[C@H]1C[C@H](COC(C)=O)[C@H](COC(C)=O)C[C@@H]1COC(C)=O 18255780 GCCOZZKHVAOYJZ-TVFCKZIOSA-N 372.414 1.497 0 40 FDAB C[C@@H](Cn1cccn1)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 19457604 ANGTZARLHBEBRS-YOEHRIQHSA-N 354.458 1.709 0 40 FDAB CCc1nnc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)s1 8390921 PTVQTAKQVXAMBP-UHFFFAOYSA-N 351.432 1.684 0 40 FDAB COc1cc(OC)nc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 1888853188 PFNXUKKQRCXUOT-UHFFFAOYSA-N 371.445 1.211 0 40 FDAB Cc1nn(C)c(C)c1C(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238862713 LARIQNCWKQSBBY-UHFFFAOYSA-N 365.441 1.998 0 40 FDAB FC(F)(F)c1ccnc(N2C[C@H]3CCN(CCn4nccn4)[C@H]3C2)c1 2087122277 QBOJUMRIKDFXCH-OCCSQVGLSA-N 352.364 1.903 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccco3)CC2=O)cc1OC 4479813 DIQAULHCAXVNHF-LBPRGKRZSA-N 359.382 1.902 0 40 FDAB CCOC(=O)[C@@H](C)Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 4959696 QGJFULTZBNQORK-SSDOTTSWSA-N 352.372 1.241 0 40 FDAB COCCNC(=O)Cn1nc(-c2ccccc2)c2sc(C)nc2c1=O 8955053 XVZPTBAQLUDPDC-UHFFFAOYSA-N 358.423 1.591 0 40 FDAB CCOCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11693858 NNYDYGGPGRHZNL-UHFFFAOYSA-N 359.361 1.462 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C(C)(C)C)CC1 2055738939 BYEONGCBQCGSCS-UHFFFAOYSA-N 368.503 1.725 0 40 FDAB Cc1ncnc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1F 1775975447 HGXXICSABSELRL-UHFFFAOYSA-N 371.372 1.181 0 40 FDAB COc1cccc2sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 30607160 FQSFXLWCVTYMBB-SECBINFHSA-N 355.441 1.667 0 40 FDAB Cc1cc(OC2CN(C(=O)CSc3ccc(F)cc3)C2)n2ncnc2n1 618255872 KGKAAOJJNBZZHC-UHFFFAOYSA-N 373.413 1.954 0 40 FDAB C[C@@H](O)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 12346988 SPBGVRGAJXNYKV-UHLUBPPHSA-N 356.209 1.824 0 40 FDAB O=C1N[C@@H](CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C(=O)Nc2ccccc21 96113938 SDMWCRRCKPGDGU-RISOHXOYSA-N 371.437 1.281 0 40 FDAB biogenic Cc1nc2ccc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2nc1C 40033835 ONKOEYUIINVECU-UHFFFAOYSA-N 353.382 1.061 0 40 FDAB CC(C)c1nnc(NC(=O)Cn2nnn(-c3cccs3)c2=O)s1 40024434 XONSDQBPQKSYHM-UHFFFAOYSA-N 351.417 1.104 0 40 FDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 40005304 YJQZPOAOUNIOEC-KRWDZBQOSA-N 354.362 1.911 0 40 FDAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)c1 40013238 YMOJXPMQFUPLLG-GXTWGEPZSA-N 351.403 1.200 0 40 FDAB Nc1cc(N)nc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1 20059760 DMIPUDYUHPCSKH-UHFFFAOYSA-N 358.471 1.078 0 40 FDAB CC(C)CNC(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 32103173 QXZMHQVJOWFMGO-AWEZNQCLSA-N 353.444 1.381 0 40 FDAB O=CN1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 20746093 PPEQCBXEFOWTFM-UHFFFAOYSA-N 350.216 1.704 0 40 FDAB CCN(CC)C(=O)CN(C)C(=O)CN1C(=O)COc2ccc(Cl)cc21 32716276 FDXNSFAKKVETRR-UHFFFAOYSA-N 367.833 1.392 0 40 FDAB O=C(COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)NCc1ccco1 21966296 GXDIEIOJRRNJHV-INIZCTEOSA-N 370.405 1.530 0 40 FDAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cnn1C 22285265 WBAYIQMOVYXBQI-OAHLLOKOSA-N 356.426 1.623 0 40 FDAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)nc3)n2)c1 61721162 HRWJXUHHRCNYGQ-UHFFFAOYSA-N 366.377 1.961 0 40 FDAB CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1847342 JAYSVKFHIVDCNG-MRXNPFEDSA-N 361.423 1.020 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cnc(C)cn3)CC2)c1 25517064 KDHVWIBSAWYDHV-UHFFFAOYSA-N 370.409 1.400 0 40 FDAB COCCCNC(=O)C1CCN(C(=O)NCc2ccc(F)cc2)CC1 56355053 FKKGUSAOYCIWRQ-UHFFFAOYSA-N 351.422 1.900 0 40 FDAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1ccccc1F 8766928 MFLWRSYACKFKPY-JTQLQIEISA-N 351.334 1.028 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccnc(-n2ccnc2)c1 58139044 ZZRWSCOQTXSIOZ-UHFFFAOYSA-N 353.357 1.453 0 40 FDAB CCN(CC(=O)N(C)C)C(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 58332206 LSTCXQLKPZJACC-UHFFFAOYSA-N 359.405 1.834 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cnn(-c3ccc(O)nn3)c2C)n1 58314627 FMZFHORKEMWQRW-NSHDSACASA-N 369.429 1.556 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1SCC(F)(F)F 36725381 OHSJJIYIXUVCQB-QMMMGPOBSA-N 354.375 1.653 0 40 FDAB COc1ccccc1-n1cnnc1SCC(=O)NC(=O)NC(C)(C)C 2662562 LXDPCMRQWLNZQV-UHFFFAOYSA-N 363.443 1.992 0 40 FDAB CC(C)(CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)N1CCOCC1 46705131 BQNQRQPFAOEUSE-KSSFIOAISA-N 372.531 1.412 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1[C@@H]2CC[C@@H]1c1snnc1C2 100214758 MNPKCHSEWINYNS-UKRRQHHQSA-N 370.482 1.344 0 40 FDAB Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)c12 102014608 KQDWBQAGZRGCRP-AGNRWKBWSA-N 366.299 1.952 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 12617089 GNCMFQBAIYDRJG-OKILXGFUSA-N 357.410 1.482 0 40 FDAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1 3354989 FYWBITYCXWJRFZ-ZDUSSCGKSA-N 351.428 1.697 0 40 FDAB CN(C)CCNC(=O)[C@@H]1C[C@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 107263990 WAPQHQORIKXYIK-GVDBMIGSSA-N 366.506 1.186 0 40 FDAB COc1cccc(C(=O)N2CCN(c3ncnc4c(C)nn(C)c34)CC2)c1 28557360 JPPWCZYKFHHWES-UHFFFAOYSA-N 366.425 1.643 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(N)s1 3403946 VSFMVMWHRNAWQZ-UHFFFAOYSA-N 355.420 1.449 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O 3596117 ANGJRZBAKJIRJZ-LJQANCHMSA-N 374.441 1.716 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(F)ccc1F 12947422 FSFOQXBNAJIPOF-HNNXBMFYSA-N 366.389 1.826 0 40 FDAB COc1cc(OC)nc(NC(=O)Cn2nc(-c3cccs3)oc2=O)n1 12946941 KFMMIAYEWIYWMG-UHFFFAOYSA-N 363.355 1.011 0 40 FDAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)C[S@](C)=O)n2)cc1 96010496 NHDDJXAREPVOOO-APXPCNQMSA-N 351.428 1.561 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C(=O)OC)cc2)C1=O 4308326 AWKWTUYLENFHHK-UHFFFAOYSA-N 361.398 1.200 0 40 FDAB Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)n1C 14184370 CRPJDGYDAZMIFF-UHFFFAOYSA-N 367.862 1.966 0 40 FDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nccs1 14461762 ZZMDTAQNIDBDHV-UHFFFAOYSA-N 354.409 1.717 0 40 FDAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NC[C@H]1CCCO1 4682667 LDKQQJINWMAFAI-OAHLLOKOSA-N 363.433 1.550 0 40 FDAB Cc1cccc(N2C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)c1C 7737532 IQDSPSSTNVYNFS-KBXCAEBGSA-N 364.467 1.350 0 40 FDAB Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 16695307 XAXOAIJJDKODJH-INIZCTEOSA-N 356.426 1.868 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnnn1C1CC1 8231921 MXGLTSFGDCIYIR-UHFFFAOYSA-N 361.427 1.878 0 40 FDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)c1ccc[nH]1 9672550 CAXXHWURVLALQR-SFHVURJKSA-N 355.394 1.324 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N=c1[nH]c2ccccc2[nH]1 17304490 JDHMSBJTJXAODQ-JTQLQIEISA-N 362.386 1.429 0 40 FDAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCNC1=O 8762619 MWWZUJPYCPMCSX-UHFFFAOYSA-N 368.802 1.946 0 40 FDAB CC(C)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9803611 ANVWWDNGOGQYKL-UHFFFAOYSA-N 355.398 1.196 0 40 FDAB COc1cccc(-n2ccn3c(SCC(=O)NC(C)C)nnc3c2=O)c1 64593716 YMJJGRPDUIJYQN-UHFFFAOYSA-N 373.438 1.506 0 40 FDAB Cc1nn(C)c2c(N3CCN(C(=O)c4cccc(F)c4)CC3)ncnc12 28557347 UEGORVQHGNMPAA-UHFFFAOYSA-N 354.389 1.773 0 40 FDAB Cc1noc(N)c1C(=O)OCC(=O)NCc1cc(Br)cs1 50591603 YDEYXDIIUFNGAJ-UHFFFAOYSA-N 374.216 1.862 0 40 FDAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408556041 BZLJNNIPPPBAID-CYBMUJFWSA-N 350.440 1.659 0 40 FDAB Cc1nnc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)s1 70638040 ITNNDVDFECDXNY-UHFFFAOYSA-N 370.442 1.677 0 40 FDAB CN1CCC2(CCCN(Cc3nccs3)[C@@H]2CNS(C)(=O)=O)CC1 306140299 UPCDSWBUKUZMEB-CQSZACIVSA-N 372.560 1.369 0 40 FDAB Cc1cc(=O)c(OCC(=O)N[C@H](c2ccccc2)c2nccn2C)cn1C 524734518 MOGNFBAGLWJPIY-LJQANCHMSA-N 366.421 1.712 0 40 FDAB O=C(c1cccc(-n2cnnn2)c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 38489991 FDLJQGSZAWXIGH-DZGCQCFKSA-N 362.393 1.084 0 40 FDAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCC(C)C 409389710 INHYABZROKCIBS-UHFFFAOYSA-N 354.472 1.931 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21)C1CC(F)(F)C1 306136003 PGHVXSKABJWNPP-JHJVBQTASA-N 357.426 1.751 0 40 FDAB COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)COC)C=C1C 30880564 USPFTZJBTZFNOZ-ULQDDVLXSA-N 354.491 1.756 0 40 FDAB biogenic,in-vitro Cc1noc(C)c1CN1CC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 75876510 ATUOCUHMHUIQQM-INIZCTEOSA-N 359.474 1.965 0 40 FDAB Cc1csc(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 556294437 NQVBLJXSBGWDPS-RYUDHWBXSA-N 374.463 1.985 0 40 FDAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1 32655957 XZXPJQLCWHYOOA-UHFFFAOYSA-N 350.396 1.659 0 40 FDAB CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)COC[C@@H]1CCCO1)C2 72390827 GBGBTDLPZNTFDM-RDJZCZTQSA-N 360.458 1.324 0 40 FDAB O=C(O)c1cnc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]c1=O 224968781 HMROEHSUGXAEPW-NSHDSACASA-N 363.395 1.036 0 40 FDAB COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2)n1 225926651 WOEUESWJTQPQIR-UHFFFAOYSA-N 359.455 1.808 0 40 FDAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(Cc4ccc(C)o4)C3)C2)cn1 96225941 KNWLGUNMARWALJ-LJQANCHMSA-N 369.425 1.724 0 40 FDAB CNC(=O)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1 96263693 GWUWMCIGTMWBKS-UKRRQHHQSA-N 371.890 1.905 0 40 FDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(OC)cc3)C[C@@H]12 96057196 CHBKEGFWINXIKJ-LMMKCTJWSA-N 362.470 1.542 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1cccs1)CC2 96059498 GTLITHBFKQELTQ-UHFFFAOYSA-N 369.450 1.869 0 40 FDAB CNC(=O)NC1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 332626841 NWLUPOUSVCTOLG-UHFFFAOYSA-N 354.457 1.378 0 40 FDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257298735 RNBUHGAVMXTUSR-QGZVFWFLSA-N 357.414 1.624 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ncccc3c1)C2 253384482 OZZKVXYBTKDODO-INIZCTEOSA-N 374.462 1.901 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)c(C)c2)C1 643695533 QZKXIKLEVSJLOC-QGZVFWFLSA-N 354.472 1.096 0 40 FDAB Cc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)nc(-c2ccccn2)n1 643720052 TVJHRVWQHZHYKX-IBGZPJMESA-N 355.442 1.657 0 40 FDAB CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncn3ccc(C)cc23)cn1 685940213 HLVKRRMAMWKQEM-GOEBONIOSA-N 355.398 1.435 0 40 FDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2c(n1)OCCO2 629351601 AISLQJLQZYPTBL-UHFFFAOYSA-N 364.305 1.406 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 643850199 MNEQHDDCSXKKIR-KBXCAEBGSA-N 367.446 1.006 0 40 FDAB Cc1nnc2c(N3CCN(c4nccc(C(F)(F)F)n4)CC3)nccn12 585149373 MFYZPLWXRPSDNE-UHFFFAOYSA-N 364.335 1.568 0 40 FDAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)C1CC(F)C1 585098643 VYTBDQOIGILNSO-HSBZDZAISA-N 374.416 1.986 0 40 FDAB O=C(C1CC(O)C1)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 585108493 PBSPLIOUDVKDDN-QQGUTBHFSA-N 360.454 1.767 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC[S@@](=O)c1ccccc1 60755514 BDALHLYTSPGGKD-QFIPXVFZSA-N 350.465 1.504 0 40 FDAB CC(C)C[C@@H](O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 95093215 NEIDLJIPMZVISC-DOTOQJQBSA-N 356.426 1.298 0 40 FDAB in-vitro Cc1c(F)cccc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)O 548201842 VTTRHEOINPGYFF-GFCCVEGCSA-N 352.387 1.751 0 40 FDAB CCOC(=O)c1sc(NC(=O)CSc2nccc(=O)[nH]2)nc1C 5009374 AZCLDRWMGSYNGQ-UHFFFAOYSA-N 354.413 1.442 0 40 FDAB Cn1ncc2c1CCc1sc(NC(=O)CN3C(=O)CSC3=O)nc1-2 12327312 CPEUFZDVYQJUPS-UHFFFAOYSA-N 363.424 1.276 0 40 FDAB O=C(CCn1cccn1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19344712 CVDFJHLOKCNRMV-GFCCVEGCSA-N 359.411 1.985 0 40 FDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)CCN3CCOCC3)cc21 19655165 NPBGVLBDOOCQAD-UHFFFAOYSA-N 367.471 1.060 0 40 FDAB Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3S(C)(=O)=O)CC2)c1 19745740 YMVVFPYTPBSZJF-MRXNPFEDSA-N 368.503 1.244 0 40 FDAB NC(=O)c1ccc(C2CCN(S(=O)(=O)C3CCCC3)CC2)nc1N 19765774 VPYKBRDIEXWNHA-UHFFFAOYSA-N 352.460 1.215 0 40 FDAB Cc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 4583341 QWUBGOUFWPBASE-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB CC(C)(C(=O)O)C1(O)CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 558591066 DSYNZEJQGROUDH-UHFFFAOYSA-N 363.382 1.591 0 40 FDAB O=C([C@@H]1CCCCO1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888853383 PSPQZIVMHCXADY-LBPRGKRZSA-N 350.394 1.416 0 40 FDAB Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1I 6261635 HIFWOASWFQVWEA-UHFFFAOYSA-N 369.162 1.946 0 40 FDAB O=C(CN1CCCC1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984706 KZKPTKHWSPMNKS-OAQYLSRUSA-N 371.481 1.897 0 40 FDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1 4266896 GRCRLWYNJORZHK-UHFFFAOYSA-N 361.361 1.869 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 10330814 LLPXJUUCGDRXOB-OAHLLOKOSA-N 355.394 1.773 0 40 FDAB CC(C)NC(=O)C1=NO[C@@]2(COCC[C@H]2NC(=O)[C@H]2CC[C@H](C)CC2)C1 2055793350 SAPKNIQKXVREAN-NPNMTCQASA-N 365.474 1.758 0 40 FDAB COc1ccc2nc(CN3CCN(CC(=O)N4CCCC4)CC3)[nH]c2c1 38488291 DLMGGAOGDGPQOA-UHFFFAOYSA-N 357.458 1.312 0 40 FDAB C[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1nnc2ccccc2c1=O 95472457 HAMZPLPLMKEADP-KSMMKXTCSA-N 356.426 1.506 0 40 FDAB CCc1ccc(-c2noc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 40040000 GSQHNXTWDFWZHC-CQSZACIVSA-N 363.439 1.535 0 40 FDAB CN1CC(=O)N(CCCC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1=O 40039021 INQKKYTUQNHVMG-UHFFFAOYSA-N 371.437 1.782 0 40 FDAB CCN1CCN(Cc2ccc(CNC(=O)c3cnc(C)cn3)cc2)CC1 40115675 OITODMWVOOGZMY-UHFFFAOYSA-N 353.470 1.853 0 40 FDAB COC(=O)c1oc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C 40153653 BAYLXGQUILVEFG-CYBMUJFWSA-N 358.460 1.668 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2nc3c(s2)CCC3)=NN1c1ccc(F)cc1 30692147 XNFKGQDQXZRYCY-ZDUSSCGKSA-N 373.413 1.830 0 40 FDAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 21579440 CPUVWLMEHAJIDZ-OAHLLOKOSA-N 372.494 1.911 0 40 FDAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCOCC2)C1=O 22192325 JWMHYPMISIHNDB-HNNXBMFYSA-N 368.231 1.506 0 40 FDAB C[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)c1ccccc1 22389322 ZMSZTXGHHVFIKH-LBPRGKRZSA-N 350.378 1.373 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 22900682 BHSVLZDKXMZYAF-UHFFFAOYSA-N 365.430 1.915 0 40 FDAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O 23348485 UQDVAQLRLSACBF-SNVBAGLBSA-N 351.432 1.276 0 40 FDAB Cc1nn(C)c2ncc(C(=O)Nc3ccccc3NS(C)(=O)=O)cc12 24894244 ZQISXDOHKQSOLL-UHFFFAOYSA-N 359.411 1.901 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 6844476 MJFYPUDEEVEZMP-GFCCVEGCSA-N 351.403 1.711 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)s1 12547773 VBBMUDKKOZLFKH-UHFFFAOYSA-N 364.452 1.521 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1 58191348 VLRBSVIGIBKWGU-HXUWFJFHSA-N 367.405 1.940 0 40 FDAB Cn1ccn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c1=O 58298098 BZZRFIJUXVAMSD-UHFFFAOYSA-N 368.359 1.346 0 40 FDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 58433217 IGBLFIHBVUUXKL-HOCLYGCPSA-N 368.441 1.772 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1 2444184 QZIPLMGZYHUZDC-KRWDZBQOSA-N 366.377 1.514 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 11904843 MZPFJKMSGFGBGY-LBPRGKRZSA-N 372.468 1.174 0 40 FDAB CCN(C(C)=O)c1nc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cs1 48262011 VVMAAIVUKLIJHQ-GFCCVEGCSA-N 360.505 1.030 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccccc1 100748328 UHLFESIZBNNHMZ-CLJXZBEYSA-N 365.385 1.466 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 3347052 TXRYGDCHZVMZKT-XJKSGUPXSA-N 352.456 1.574 0 40 FDAB CCOC(=O)NC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 12862499 RRGULHMYEKQQMW-UHFFFAOYSA-N 357.366 1.791 0 40 FDAB O=C(NCC(=O)N1C[C@@H]2C[C@H](Cc3cccc(=O)n32)C1)c1ccccc1 100786634 MNGLPOCSJQTMFQ-YOEHRIQHSA-N 351.406 1.224 0 40 FDAB biogenic Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1C 3413395 CBJMDCHEMFLOJX-UHFFFAOYSA-N 353.378 1.778 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)O 71328772 JSNZFSOZHJIKPE-APPDUMDISA-N 361.373 1.665 0 40 FDAB O=C(NCc1ccncc1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13549603 YVPJDIADSKQHLQ-UHFFFAOYSA-N 371.832 1.934 0 40 FDAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@H]12)c1ccccc1 306135875 PDLFGKWSELGRED-KFKAGJAMSA-N 373.478 1.507 0 40 FDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(COC1=O)N2 4496015 ZANIACAJVOAWSE-CYBMUJFWSA-N 353.378 1.561 0 40 FDAB CC(C)c1ccc(CCNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 14110906 ARTGKIPSVWCWTK-UHFFFAOYSA-N 353.426 1.612 0 40 FDAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(CC)cc3)C2=O)C1 4995865 CIMJRGRZEKWBHC-IBGZPJMESA-N 371.393 1.422 0 40 FDAB NS(=O)(=O)c1ccc(CCN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 15471336 ONZGWEXSQFNKAF-GOSISDBHSA-N 373.478 1.486 0 40 FDAB CCNC(=O)c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 7980132 ORWSUVZXUIJHOQ-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 81700947 MKQVRVKGQWLMMC-QFBILLFUSA-N 354.406 1.590 0 40 FDAB Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(N)=O)cc2)o1 71972689 CJIQCTZYYRMWEH-UHFFFAOYSA-N 365.455 1.439 0 40 FDAB CCCn1c(SCC(=O)c2ccc(CCNC(C)=O)s2)n[nH]c1=O 17231616 DKTZDLSYLRUAAP-UHFFFAOYSA-N 368.484 1.697 0 40 FDAB CCCCOCCCNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 8736055 UMYNQBBBGGLTKG-UHFFFAOYSA-N 356.488 1.715 0 40 FDAB Cc1cc(N2CCC(Nc3cc(-n4cccn4)nc(N)n3)CC2)nc(C)n1 92919939 XGHVBJSRNUWMFN-UHFFFAOYSA-N 365.445 1.732 0 40 FDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 72242335 KDIHMGVGRBIDEP-TZMCWYRMSA-N 372.498 1.512 0 40 FDAB O=C(CN1CCOc2ccc(Cl)cc21)NC[C@@H]1CCS(=O)(=O)C1 72721487 FFKIOPVCWJDXQZ-NSHDSACASA-N 358.847 1.090 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 97674839 XXWZAVKZTAUQFB-LBPRGKRZSA-N 368.455 1.581 0 40 FDAB CCc1nsc(N2CCN(C(=O)C(F)(F)c3ccccn3)CC2)n1 89295588 HVACKWUWYUHISX-UHFFFAOYSA-N 353.398 1.936 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1C 22913232 LACSUCJHCXJVQQ-UHFFFAOYSA-N 358.486 1.482 0 40 FDAB Cc1nc(CN2C[C@H]3CN(Cc4ccncc4)C[C@@H]3S2(=O)=O)cs1 306143380 YASSUXNSMDKXHX-ZBFHGGJFSA-N 364.496 1.493 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(C3CCC3)C[C@@H]1C2 306130907 JSIHTVIVEOMYFY-JKSUJKDBSA-N 351.454 1.865 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1 36614821 KJPGERTUSCAKNE-VIFPVBQESA-N 365.381 1.558 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 32074028 JRMGRCDLJBZWFH-GFCCVEGCSA-N 365.405 1.820 0 40 FDAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c1 42631016 SNOCDWWNOAEEQJ-GFCCVEGCSA-N 361.423 1.951 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCCC2)s1 225266395 ZAAFEFRYHQZITK-UHFFFAOYSA-N 362.477 1.514 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3ccc(O)cc3)cc21 40287269 XYNDAGRNRWWZLQ-UHFFFAOYSA-N 369.377 1.045 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)n1 40286236 GEQSWXYVEMWUJG-PMPSAXMXSA-N 353.426 1.374 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159169 WIMRNBTVOAWHBN-UHFFFAOYSA-N 358.423 1.576 0 40 FDAB Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3c3ccccc3)C2)c1=O 583618247 ZJFRYILNJCDTAX-ULQDDVLXSA-N 352.438 1.669 0 40 FDAB Cc1cnc(N2C[C@H]3CN(S(=O)(=O)c4cccs4)C[C@H]3C2)nc1 96063679 MYODMDGGHSCPRH-BETUJISGSA-N 350.469 1.603 0 40 FDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCNC[C@H]1C(F)F 585088571 XSLYBVILJZWVCJ-LBPRGKRZSA-N 355.776 1.908 0 40 FDAB O=C(O)c1ccccc1-n1cc(CN2CCO[C@@H](c3cc[nH]n3)C2)cn1 257221615 DPVRUQZSHBBHEG-QGZVFWFLSA-N 353.382 1.867 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1ccc(OC)cc1 257343200 ZRWSMNRLLULXNF-MJGOQNOKSA-N 359.470 1.817 0 40 FDAB CCCn1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)n1 257242830 IEIZFYZXEOXEDW-SFHVURJKSA-N 358.446 1.187 0 40 FDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)ccn1 257335935 YMMAOCOLHWDGGN-GOSISDBHSA-N 355.442 1.895 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1occc1C)CC2 253480037 UNUPPPVMROLURG-CQSZACIVSA-N 370.471 1.348 0 40 FDAB CC(C)c1nnc(CCC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)o1 257251817 JSJFUYIZEXOWNT-AWEZNQCLSA-N 359.430 1.633 0 40 FDAB COC(=O)[C@@H]1CCc2nnc(CCN3CCN(c4ccccc4)CC3)n2C1 601044737 PFFQTZLEJVGVIZ-MRXNPFEDSA-N 369.469 1.378 0 40 FDAB COCc1nc(-c2cccc(NC(=O)c3cc(=O)c(OC)co3)c2)n[nH]1 604418810 FNCRUUKDJMWIPR-UHFFFAOYSA-N 356.338 1.832 0 40 FDAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@H](C(=O)O)C1(C)C 655583113 CEBIUGADENIFME-DDTOSNHZSA-N 353.440 1.955 0 40 FDAB CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2C(CNC(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1 1726170115 MKLLNVAFXQTMHK-ZYUBPSHWSA-N 366.465 1.972 0 40 FDAB 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Cc1nccn1CCNC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O 526052332 BNLRAXSQDBEUKR-OAHLLOKOSA-N 355.398 1.213 0 40 FDAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35374859 JUBVDOBRUVSYHR-ROUUACIJSA-N 355.438 1.751 0 40 FDAB COC(=O)[C@H](C)N(C(=O)Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 32641386 HARLPYRKPJMZCH-DZGCQCFKSA-N 353.440 1.115 0 40 FDAB O=C(C1CCN(c2cnccn2)CC1)N1CC[C@@H](OCc2ccncc2)C1 329326154 JERQIIDHDJODHY-GOSISDBHSA-N 367.453 1.906 0 40 FDAB CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCCC4)cn23)C1 96156267 BHCTWCQKEHAYHU-ZDUSSCGKSA-N 356.430 1.436 0 40 FDAB CN(C)C(=O)COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97654834 DLKLLJWBQKDKJR-RVDMUPIBSA-N 367.365 1.563 0 40 FDAB CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccn3)C[C@H]12 96250962 KLIHEQBGGAINLG-GVDBMIGSSA-N 365.499 1.089 0 40 FDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)N(C)C)C2 97952803 OYEZREYIVAUQLI-LJQANCHMSA-N 359.474 1.119 0 40 FDAB Cn1nnnc1COc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 96101280 FYXJSBBLIOVZAT-UHFFFAOYSA-N 357.399 1.770 0 40 FDAB CN(C)C(=O)CO[C@@H]1CCOC2(C1)CN(Cc1ccc(F)c(F)c1)C2 247968764 HBUPBPTVBJCCKZ-CQSZACIVSA-N 354.397 1.803 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccccc1C)C2 248154058 LCFVQJSTEMJDAA-INIZCTEOSA-N 351.468 1.590 0 40 FDAB Cc1ccccc1C(=O)N1CC2(CC[C@@H](CNS(C)(=O)=O)CO2)C1 248143725 GODNGIJXZDPOFX-AWEZNQCLSA-N 352.456 1.165 0 40 FDAB Cc1cc(F)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)cc1C(=O)O 585084053 FRISQSXIJXYBHD-UHFFFAOYSA-N 358.391 1.074 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C(C)C 257306190 STFPDNLWJUFEGJ-SFHVURJKSA-N 358.486 1.568 0 40 FDAB CN(C)c1cccc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257325320 WSLLJNUOCWVVBM-OAHLLOKOSA-N 352.398 1.404 0 40 FDAB NCCCCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 257277340 NXPIZZFDFJKRNY-UHFFFAOYSA-N 357.458 1.206 0 40 FDAB CO[C@@H]1CC[C@@H](N(C)C(=O)Cn2c(=O)cc(C)c3cccc(C)c32)[C@H]1O 257291729 QIJPQNYUYZIPSR-JXXFODFXSA-N 358.438 1.615 0 40 FDAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@@H](O)C=C4[C@@H](C2)N(C)CC[C@]431 253504759 LQIKGKFOKAXCRM-UGSUJBKMSA-N 371.433 1.577 0 40 FDAB biogenic,in-vitro CCO[C@H](CN1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@H](OC)C1)C1CC1 1213143142 CQJNXCJZUWEXQL-DJIMGWMZSA-N 369.893 1.923 0 40 FDAB Cc1nnc(N2CCN(C(=O)Cc3cccs3)CC2)c(C(N)=O)c1C 1115993384 AVQDHRDPCLETNZ-UHFFFAOYSA-N 359.455 1.145 0 40 FDAB CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630664394 FUIIYIYLFXAGCF-ZWKOTPCHSA-N 358.438 1.909 0 40 FDAB COc1cc(CN2CCCC[C@H](O)C2)ccc1OCCN1CCOCC1 1138535078 YFVGEPZAIDDRQP-SFHVURJKSA-N 364.486 1.753 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 651516685 BBWGQLHEHPZTOW-SECBINFHSA-N 370.855 1.181 0 40 FDAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccccn1 657076465 MKFMIBFUODLVSZ-XJKSGUPXSA-N 350.444 1.744 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@]1(C)CCS(=O)(=O)C1 575426598 WPXLIGLKSIWPNH-CYBMUJFWSA-N 351.877 1.846 0 40 FDAB Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCO2 685942391 OUOFMHNJVXVMRR-IUODEOHRSA-N 356.426 1.987 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)nc2n1 69404328 LALVRVBSSLLTBV-UHFFFAOYSA-N 371.832 1.752 0 40 FDAB CN(C)c1cnc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cn1 678346424 BDZQNNMBEKNYME-UHFFFAOYSA-N 351.414 1.605 0 40 FDAB Cn1ccc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)n1 1615156052 JSZZAUAIKMDSQS-LJQANCHMSA-N 372.400 1.597 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615154062 DGWYLAISJCVSKW-FQEVSTJZSA-N 368.437 1.941 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1C 5613725 OIVKMVVUZZTGTJ-JTQLQIEISA-N 366.801 1.944 0 40 FDAB CCOP(=O)(OCC)/C(=C/N1C(=O)CC(=O)N=C1S)C(=O)OC 5838423 QBRDMNLBBRNUEY-BQYQJAHWSA-N 364.316 1.312 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2cccnc2)n1 12088954 MAVNBPGZYFVILF-UFRUDQCGSA-N 354.454 1.895 0 40 FDAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 12597445 TYEMNDMVUHQWCT-LLVKDONJSA-N 361.423 1.976 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)OC)ccc1Cl 14673911 WBJIQSDBEMGZKV-UHFFFAOYSA-N 363.819 1.700 0 40 FDAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 17011605 WBJILZMLKKFEFW-AWEZNQCLSA-N 351.403 1.871 0 40 FDAB Cc1ncc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cn1 19287221 NXLFWGGJERLQSG-GFCCVEGCSA-N 353.473 1.420 0 40 FDAB O=C(N[C@@H](Cc1ccsc1)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 19337997 XKDIUJMEJPPZEL-CABCVRRESA-N 350.465 1.978 0 40 FDAB O=C(COc1ccccn1)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19402203 AEPDTPGRKVDMJA-OAHLLOKOSA-N 369.425 1.108 0 40 FDAB CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(CC)CC1 19500666 ADIIGDCAUDLQST-HNNXBMFYSA-N 358.446 1.539 0 40 FDAB CC1CCN(CC(=O)N2CCC[C@H](NC(=O)c3cnccn3)CC2)CC1 19749183 ACPKOWGJJJNNAB-INIZCTEOSA-N 359.474 1.319 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2ccc(C(N)=O)cc2)C1 583617622 PPOZOHWFRUNFKD-CABCVRRESA-N 352.398 1.185 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCCc2ccccc21 35728650 MLLDGZPIXHUNPK-GOSISDBHSA-N 351.454 1.792 0 40 FDAB CCC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 2640801 FUTPAGUCMHDYLD-CQSZACIVSA-N 363.414 1.844 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 3347048 TXRYGDCHZVMZKT-CJNGLKHVSA-N 352.456 1.574 0 40 FDAB O=S(=O)(c1cnoc1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888875854 PVLOBSWZBXRMDG-IAQYHMDHSA-N 368.390 1.474 0 40 FDAB Cc1noc(CN2CC[C@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888876261 XIKYAMGMUJPVFB-HNNXBMFYSA-N 350.444 1.414 0 40 FDAB CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCCN(c2ncnc3[nH]cnc23)C1 2037843560 FKJOIZSMMIETDQ-KRWDZBQOSA-N 354.418 1.336 0 40 FDAB O=C(CCF)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 1565556313 CKHYJFHEYGIZLL-UHFFFAOYSA-N 356.419 1.326 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 4785204 RDLRVEBACNLRHC-JTQLQIEISA-N 356.429 1.540 0 40 FDAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713796 MCRSWIBVDNQTJA-OAHLLOKOSA-N 362.474 1.614 0 40 FDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cccn2C)cc1 206698162 JOBMZYXBJDMRBZ-CQSZACIVSA-N 353.400 1.215 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N2CCOc3ccc(F)cc3C2)CC1 408277733 BLFANYLSDCRJDG-UHFFFAOYSA-N 356.419 1.218 0 40 FDAB C[C@H]1C[C@H](Sc2nc(C3CC3)nc3c2c(=O)nc(O)n3C2CC2)C(=O)O1 40040143 AWTKAAINXIXNJB-XVKPBYJWSA-N 374.422 1.901 0 40 FDAB Cc1cccc(C)c1OCCN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 40010026 LMUVVPZTWOJXJZ-CYBMUJFWSA-N 354.428 1.037 0 40 FDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccccc1Cl 40039686 XVHCTEYWWNIUMM-SECBINFHSA-N 358.785 1.766 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)COc1ccccc1Cl 30584071 UKMCVNCOKBSJIT-GFCCVEGCSA-N 360.863 1.649 0 40 FDAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(I)c1 40159407 VRDZUSHWZQKLCY-SNVBAGLBSA-N 361.183 1.923 0 40 FDAB CCc1ccccc1N1C[C@@H](C(=O)NCCCN2CCOCC2)CC1=O 40160351 FYCLKSRKKVTWTP-KRWDZBQOSA-N 359.470 1.440 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc21 40266237 WKYMBARJLJRXRT-UHFFFAOYSA-N 373.796 1.950 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CNC(=O)NCC1CCCC1 50585830 ZQJXFZKGKISBCM-PMPSAXMXSA-N 365.474 1.809 0 40 FDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc(-c3ccccc3)nn12 101317952 DWEBSVBOSHMPIB-BETUJISGSA-N 363.377 1.764 0 40 FDAB O=C(NCc1ccc(F)cc1)C1CCN(c2ccc3nncn3n2)CC1 20723660 XAGICADSPKRIBS-UHFFFAOYSA-N 354.389 1.796 0 40 FDAB O=C(/C=C/c1ccc(OCc2ccncc2)cc1)N[C@H]1CCS(=O)(=O)C1 32350034 ATEMKBNKBFAXPU-ZVVFDCPKSA-N 372.446 1.977 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(C3CC3)s2)c1 21293579 GPSLANWMLUSYTB-UHFFFAOYSA-N 352.441 1.884 0 40 FDAB CC(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)CC1 32645011 ZDHMKTSKDSZNMT-UHFFFAOYSA-N 357.454 1.257 0 40 FDAB CN1C(=O)c2ccc(C(=O)NCc3ccc(NC(N)=O)cc3)cc2C1=O 32899206 SBGDOGWYYOXQOD-UHFFFAOYSA-N 352.350 1.333 0 40 FDAB CNC(=O)c1ccc(CN(CCS(C)(=O)=O)Cc2ccco2)cc1 52530257 OYQJAROUXASSQH-UHFFFAOYSA-N 350.440 1.686 0 40 FDAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cn3cccnc3n2)CC1 47572852 UIZGVTNFJYDPEC-UHFFFAOYSA-N 371.347 1.606 0 40 FDAB O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC=CCC1 24008667 UUWVHSZREYAZNE-AWEZNQCLSA-N 351.424 1.969 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl 728179 HJHOWCNMHZDDRL-UHFFFAOYSA-N 369.606 1.888 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(N)nc(N(C)C)n1 9156169 DORFFMNKRCCHLR-NSHDSACASA-N 358.471 1.731 0 40 FDAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC(=O)O 2991824 MGEVVMKKIZTPCO-BAQGIRSFSA-N 371.143 1.101 0 40 FDAB COCCCNC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 6969558 LVNLUAQGODCDKG-UHFFFAOYSA-N 350.444 1.829 0 40 FDAB CCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 27664572 KHXVIMNIZUOJAK-QMMMGPOBSA-N 359.404 1.877 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1C 36648908 OPHASWDTYDPJII-UHFFFAOYSA-N 374.441 1.819 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@](C)(O5)[C@H]1O 100393652 WVIJKZGJRVKCQR-GQHLEUQBSA-N 373.449 1.634 0 40 FDAB biogenic,in-vitro Cc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)C(C)C)CC3)CC2=O)c1C 36728528 DAKXLLNBABWYSC-KRWDZBQOSA-N 371.481 1.983 0 40 FDAB CCOC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 11672479 KSRVTFXHMOHZQN-TZMCWYRMSA-N 369.439 1.276 0 40 FDAB COc1ccc(/C=C/C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1OC 3326120 LODMDABWOCGELS-VFADXPBXSA-N 350.371 1.480 0 40 FDAB Cc1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)nn1-c1ccc(F)cc1 12860400 SYZXOEOLUAZCQA-UHFFFAOYSA-N 369.356 1.831 0 40 FDAB NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O 12921720 QMXAESFJXQZVBA-NSHDSACASA-N 368.359 1.656 0 40 FDAB Cn1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)n1 12939159 QZTVVARFBMUXFB-UHFFFAOYSA-N 361.361 1.665 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@H]2c2cn(C)cn2)C1=O 306123867 AYXBFIXTFLPWMJ-LIRRHRJNSA-N 372.425 1.118 0 40 FDAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COCc2ccccc2OC)C1 13135948 GJUIMXNTZLFGBV-DOTOQJQBSA-N 351.443 1.848 0 40 FDAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)cc1 408550179 AXFRVGFHULGJBN-UHFFFAOYSA-N 369.377 1.557 0 40 FDAB CCN(CC)C[C@@H](O)COc1ccc(OC[C@H](O)CN(CC)CC)cc1 3900006 CSLQEEQKFLCTKP-QZTJIDSGSA-N 368.518 1.850 0 40 FDAB C[C@H](C[S@](C)=O)N(C)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 96012189 YFZGDHPWTDEBAI-KPVUDJQRSA-N 357.520 1.576 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1 19619201 UBSGFOLTTBQDOV-UHFFFAOYSA-N 374.462 1.964 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)OC 4077545 LSTXJQYFMFXCDR-UHFFFAOYSA-N 366.761 1.452 0 40 FDAB Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)N2CCOCC2)cc1 9238786 ZCIIVUBTOXKPOV-LSDHHAIUSA-N 359.455 1.513 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC1CCCC1 4166035 GAUKTBGYYWJNLN-UHFFFAOYSA-N 355.373 1.780 0 40 FDAB CC(C)N(Cc1ccccc1)C(=O)CCn1cnc2c(cnn2C)c1=O 39539804 DAAZVGCWGZDQNV-UHFFFAOYSA-N 353.426 1.957 0 40 FDAB CC1CCN([C@H](CN[C@H]2CS(=O)(=O)C[C@@H]2O)c2cccs2)CC1 22090889 KXHXZBSDLYIBHB-ZNMIVQPWSA-N 358.529 1.269 0 40 FDAB CCN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 14136082 SBEGAIUKPQGVDT-SFHVURJKSA-N 353.422 1.788 0 40 FDAB O=C(c1ccncc1)N1CCN(Cn2nc3ccccn3c2=S)CC1 14254005 XLLCVVUEDXXSEX-UHFFFAOYSA-N 354.439 1.676 0 40 FDAB COc1ccccc1CN(C)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 6580196 QEDIUHFEVISCCB-UHFFFAOYSA-N 373.409 1.387 0 40 FDAB Cc1cc(C)n(Cn2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)n2)n1 6922189 VSLYVNPHDDFLBW-ZDUSSCGKSA-N 356.308 1.285 0 40 FDAB CCC[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)N1CCc2sccc2C1 95396356 OHQULPQGLDQFFN-TZMCWYRMSA-N 361.471 1.770 0 40 FDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1OC 96765744 VAVZTRZQXXFGHG-IPPJXQLGSA-N 357.387 1.539 0 40 FDAB CCN(C(=O)CN1CCN(CCOc2ccc(OC)cc2)CC1)C1CC1 96795029 BWQKYTWPQPWLFC-UHFFFAOYSA-N 361.486 1.703 0 40 FDAB O=C(CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)NC1CC1 95397642 PVPVGXSWDQACIC-SFHVURJKSA-N 356.470 1.078 0 40 FDAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8746436 VVBQOUDKUGJYIZ-GOEBONIOSA-N 365.499 1.781 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCc2ccccc2C1 8987697 DWDBDJPZONEZGA-GOSISDBHSA-N 363.417 1.734 0 40 FDAB O=C1[C@H](N2CCN(CCn3ccnc3)CC2)CCCN1c1ccccc1 95999704 VAIBABJEAYZIBY-LJQANCHMSA-N 353.470 1.696 0 40 FDAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)O)C1)c1ccco1 95969489 OWPWXFFUAZHGAJ-JKSUJKDBSA-N 370.405 1.944 0 40 FDAB CC[C@H](CO)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 89943504 DSFBKIHXWOWFMT-GXTWGEPZSA-N 363.483 1.648 0 40 FDAB COCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409390921 MESCRVFXLLWZPX-QMMMGPOBSA-N 355.243 1.423 0 40 FDAB Cc1cc(=O)c(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)c[nH]1 511250123 XHCVNZTYKOXFDT-OALUTQOASA-N 355.438 1.827 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 32641384 HARLPYRKPJMZCH-UKRRQHHQSA-N 353.440 1.115 0 40 FDAB C[C@@H](CNC(=O)c1cccc(I)c1)N1CCOCC1 32817376 HSLPYHUBLJZMIT-NSHDSACASA-N 374.222 1.742 0 40 FDAB Cc1nn(CC(=O)N[C@H](C)C(=O)N2CCCCC2)c(C)c1Br 72249919 ORLWTGXCTILVFN-LLVKDONJSA-N 371.279 1.780 0 40 FDAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cc(N2CCCC2)ncn1 75166329 YAEXFPVISDAZDL-UHFFFAOYSA-N 366.381 1.532 0 40 FDAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c2c(C)nn(C)c2n1 223183391 QWIFIZQRIBXHBF-CQSZACIVSA-N 357.458 1.962 0 40 FDAB O=C(c1cccc(Br)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 48312820 WQAPNCNDYBOHMC-CQSZACIVSA-N 367.243 1.913 0 40 FDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 222664840 ZDLHMBUHSYQNGN-UHFFFAOYSA-N 351.790 1.719 0 40 FDAB CN(CC(=O)NCc1nccc(N2CCCC2)n1)C(=O)c1ccccc1F 224157823 MRNQQMFPGVUUPR-UHFFFAOYSA-N 371.416 1.604 0 40 FDAB CC(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 225888042 GBBLEUJABAHQOQ-UHFFFAOYSA-N 364.519 1.998 0 40 FDAB COc1ccc2onc(CC(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)c2c1 584399354 WVUCPXZZKRBILE-ZBFHGGJFSA-N 364.423 1.557 0 40 FDAB Cc1ccc(N2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)CC2=O)cc1 585082239 LEBYJWIJVWTLMX-UHFFFAOYSA-N 368.422 1.726 0 40 FDAB CN(C)c1cccc([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 257276296 NTDBBQAZSJKHTN-INIZCTEOSA-N 356.426 1.300 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1C 257240385 HTEHKQPGYWPXKZ-MJGOQNOKSA-N 360.454 1.780 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 85561028 DZPUBWLSCLIQFF-GFCCVEGCSA-N 354.384 1.422 0 40 FDAB Cc1cnn(C)c1S(=O)(=O)N(C)[C@@H](C(=O)O)c1c(F)cccc1F 285041745 JAVLCWPVUXKIDL-GFCCVEGCSA-N 359.354 1.453 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1ccc(C(=O)O)cc1C)C1CCOCC1 647123408 TVVOMRYSTSSYHD-OAHLLOKOSA-N 357.428 1.877 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)Nc1nc2c(s1)C(=O)NCCC2 96124403 HRQCLMWSZOSBHA-UHFFFAOYSA-N 374.422 1.684 0 40 FDAB O=C1CCCN1CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 585276229 LLSQLAXTBOAILV-HOTGVXAUSA-N 350.846 1.857 0 40 FDAB Cc1nc([C@H]2OCC[C@H]2CNS(=O)(=O)Cc2ccccc2F)n[nH]1 685940096 PJWFDJVMEFKYFX-FZMZJTMJSA-N 354.407 1.449 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCCN(C2CCC2)CC1 824226949 IKIBFFLTTBYYGU-UHFFFAOYSA-N 358.485 1.784 0 40 FDAB CN(C)C(=O)[C@H]1CC(=O)N(C2CN(c3ccncc3C(F)(F)F)C2)C1 685940967 MHKKHSJZOUGXFA-JTQLQIEISA-N 356.348 1.226 0 40 FDAB CCOC(=O)C1(NC(=O)CN2C(=O)COc3ccccc32)CCCCC1 40134637 DRZVYOXFWGFIKD-UHFFFAOYSA-N 360.410 1.794 0 40 FDAB C[C@H](Sc1nc2ccccc2o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14137744 HPNCCPXAHFLNBL-QWRGUYRKSA-N 354.453 1.954 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)CC1 15399189 SRPGWNXMCKGBLU-GOSISDBHSA-N 365.380 1.990 0 40 FDAB CC(C)N1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 15007000 PAWLNVCGMKWBRK-OAHLLOKOSA-N 357.454 1.992 0 40 FDAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2N)c2ccncc21 19290478 HLCIHCLKCIOJNL-UONOGXRCSA-N 362.480 1.750 0 40 FDAB CCN1CCN([C@@H](c2ccccc2)c2nnnn2C[C@@H]2CCCO2)CC1 19528052 HAPKXBOUGPLNIF-ROUUACIJSA-N 356.474 1.579 0 40 FDAB Cn1cc2c(n1)C[C@@H]1CC[C@H]2N1C(=O)CNC(=O)OCc1ccccc1 19717994 SRNHSENVZXHOLL-WMLDXEAASA-N 354.410 1.935 0 40 FDAB Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)N(C)C 19753706 AAVUAUHGBRPFBV-INIZCTEOSA-N 359.474 1.636 0 40 FDAB Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nn1 225466564 RQXGYJZNXVHCQD-CYBMUJFWSA-N 352.416 1.622 0 40 FDAB CCOCC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130227 XEBLPNAECVPGTR-UHFFFAOYSA-N 357.414 1.687 0 40 FDAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1)C1CC1 19400382 GFDWALOEZFLYIO-RHSMWYFYSA-N 353.426 1.924 0 40 FDAB Fc1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888882282 RJRDJUOYEOFQST-NSHDSACASA-N 355.377 1.836 0 40 FDAB Cc1cc2c(N3CCN(c4nccc(N5CCCC5)n4)CC3)nccn2n1 1889146238 DKXUEHULCQSJOP-UHFFFAOYSA-N 364.457 1.755 0 40 FDAB Cn1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037840635 PEEYBAGYMPWNGA-GOSISDBHSA-N 358.373 1.207 0 40 FDAB Cn1nccc1CN1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]2CC1 2056223473 NCXHVBDKDYHYII-HDICACEKSA-N 360.502 1.907 0 40 FDAB CC(C)N(C)CC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 1614930672 KXOFZVCYPYAJJG-FQEVSTJZSA-N 358.486 1.763 0 40 FDAB O=C(C1CC(F)(F)C1)N1C[C@H]2OC[C@@H](CC(=O)N3CCCCO3)[C@H]2C1 1565548936 MQDCRMSGNCICHX-MRVWCRGKSA-N 358.385 1.449 0 40 FDAB COc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)on1 1565548309 BCFVCNCVILMWLE-GJZGRUSLSA-N 358.398 1.194 0 40 FDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccccn3)cc21 5252427 FIWZNLOZECBDIC-UHFFFAOYSA-N 352.394 1.636 0 40 FDAB COc1cc(CNc2nnn[nH]2)ccc1Oc1nnnn1-c1ccccc1 12419632 YBJGRNJMMKXKAG-UHFFFAOYSA-N 365.357 1.588 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccnnc2)CC1 2055772386 FBUOXPGEFFULQJ-UHFFFAOYSA-N 357.389 1.449 0 40 FDAB O=C(NCCn1nc2c(cc1=O)CCCC2)c1cc(-c2cccnc2)on1 575621125 XYXDSWZPWWUIAV-UHFFFAOYSA-N 365.393 1.602 0 40 FDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1 30170987 JQTYBRVMTLFXPZ-MRXNPFEDSA-N 360.483 1.941 0 40 FDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 40017364 UIPWDHGMGDRUQA-CQSZACIVSA-N 352.412 1.288 0 40 FDAB O=C(CN(C1CC1)S(=O)(=O)c1cccnc1)NCCc1ccccc1 30587909 AAPWCPSWWOMZAO-UHFFFAOYSA-N 359.451 1.594 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100304231 LAZYXNJHFDLVPI-VJOHVRBBSA-N 353.374 1.608 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCC3)CC2)s1 20393139 ICMHDPVJCFWHHQ-UHFFFAOYSA-N 351.476 1.652 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)c1nc(COc2c(C)occc2=O)no1 31814646 XSLHOAWGGARMTM-GFCCVEGCSA-N 362.386 1.124 0 40 FDAB CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 32906205 DDYBWCSHDRBTDL-UHFFFAOYSA-N 368.480 1.496 0 40 FDAB Cc1cc(=O)oc(C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 21841578 NUISDACNMFILGB-UHFFFAOYSA-N 367.379 1.140 0 40 FDAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCOCC1 786193 LANMYNYNGKQELQ-UHFFFAOYSA-N 350.234 1.869 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1 812649 HNAIRVUTAOSNDL-UHFFFAOYSA-N 354.410 1.629 0 40 FDAB O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 23703246 MUROZOWUWOZWFN-MRXNPFEDSA-N 367.405 1.365 0 40 FDAB O=C(NCCNC(=O)C1CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2 54671480 MXWXOYPRKXDQJU-UHFFFAOYSA-N 356.401 1.756 0 40 FDAB CCC(=O)Nc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1OC 4171051 FEZYYZGXZKSQQL-UHFFFAOYSA-N 361.427 1.973 0 40 FDAB NC(=O)CSc1nc(SCC(N)=O)c2c3c(sc2n1)CCC3 4335563 WYKCEMDFCRUVIG-UHFFFAOYSA-N 354.482 1.335 0 40 FDAB COc1cc(Br)cc([C@H]2CC(=O)Nc3ncnn32)c1OC 6229826 ZBVXUJMZEXZXDP-SECBINFHSA-N 353.176 1.989 0 40 FDAB O=C(COc1nsnc1N1CCOCC1)Nc1ccc2c(c1)OCO2 1425512 DZXMCSCMQRHRGK-UHFFFAOYSA-N 364.383 1.121 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]2c2ccccn2)CC1 56599413 CABZCVJGDDHLJC-INIZCTEOSA-N 366.487 1.742 0 40 FDAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CN1CCS(=O)(=O)CC1 58197282 OOFQMMXDPPRNQY-HNNXBMFYSA-N 352.500 1.589 0 40 FDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N(C)Cc2ccco2)c1 58291335 USAFZDMFYZJFBD-UHFFFAOYSA-N 351.428 1.670 0 40 FDAB COC(=O)C1=C2C(=O)NCCN2C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 58420683 XZMAVVJKGALUPO-LLVKDONJSA-N 370.192 1.617 0 40 FDAB COc1ccc([C@@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1F 45565195 BIJLNQGTVDSXBY-DGCLKSJQSA-N 358.435 1.130 0 40 FDAB O=CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 2540776 KCXCSXLUYCTARV-UHFFFAOYSA-N 359.357 1.452 0 40 FDAB in-vitro COC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 95461144 KXFNFUVBHKLUBN-QMMMGPOBSA-N 355.322 1.010 0 40 FDAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)no1 23435876 CKHPHJYYEZEYHR-UHFFFAOYSA-N 370.475 1.754 0 40 FDAB O=C(CCNC(=O)NC1CCCCC1)NC[C@H]1COc2ccccc2O1 12909682 URSMPXWFTPYYRW-HNNXBMFYSA-N 361.442 1.965 0 40 FDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 12981040 IZBJGZYWOYWHDZ-LLVKDONJSA-N 350.444 1.317 0 40 FDAB O=C1Cc2cc(S(=O)(=O)N3CCc4cc(C(=O)O)ccc43)ccc2N1 13278489 RYLGKUXNKLFEEP-UHFFFAOYSA-N 358.375 1.631 0 40 FDAB CCc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 97296309 YFAOKMNZEBXELB-HNNXBMFYSA-N 361.467 1.658 0 40 FDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1 13691687 KRJKRLNLXNHJHD-UHFFFAOYSA-N 369.424 1.467 0 40 FDAB COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 13786388 SYIWDIVFSJQUIK-UHFFFAOYSA-N 372.381 1.594 0 40 FDAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 22227043 UUIDPADLDWHINC-UHFFFAOYSA-N 364.423 1.273 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)COC(=O)c2ccccc2C)c2ccccc2O1 9337850 QYXYZUJGUPZGLH-KRWDZBQOSA-N 368.389 1.692 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)Nc3ncc(C(N)=O)s3)CC2=O)cc1 14170106 NUNFFRNCEHXOFI-LLVKDONJSA-N 358.423 1.796 0 40 FDAB COc1cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc(OC)c1OC 14472796 NCHXKAWMCKUMQO-STQMWFEESA-N 374.393 1.602 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1c(F)cccc1F 6649301 GGNHCULLUWBUNI-UHFFFAOYSA-N 359.288 1.997 0 40 FDAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)o1 4738527 DKCQIJRZQYNLCI-IZZDOVSWSA-N 358.306 1.746 0 40 FDAB COc1ccc(CN(C)C(=O)CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 9516812 VKITZGOSGMSLOW-UHFFFAOYSA-N 363.414 1.383 0 40 FDAB O=C(CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)NCc1ccco1 7952796 CWEWFUNVZHNGIS-AWEZNQCLSA-N 359.407 1.515 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)NC1(C(=O)O)CCCCC1 95349575 WJDJCAFMCZOWDT-UHFFFAOYSA-N 351.428 1.716 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccccc2)NC(=O)N[C@H]1C 8346146 UKAGJWMNBVWGAB-LBPRGKRZSA-N 374.393 1.711 0 40 FDAB CCn1ncc(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)Cl)c1C 17073717 RGUQMYDZORARQS-SNVBAGLBSA-N 356.782 1.502 0 40 FDAB COc1ccc(N2C(=O)C[C@H](N(CCO)Cc3ccccc3)C2=O)cc1 17879285 FXHZKZLQWRFUKK-SFHVURJKSA-N 354.406 1.822 0 40 FDAB O=C(NCCc1c[nH]cn1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992839 JPXASYQHORFPEW-JTQLQIEISA-N 374.836 1.305 0 40 FDAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)N1CCc2ccccc21 9057912 FDOFHJRPADDPDJ-MRXNPFEDSA-N 359.357 1.047 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1 9060496 CAZAGJYCKZMKRM-UHFFFAOYSA-N 366.425 1.355 0 40 FDAB CC(=O)c1cccnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 75092271 FRNIHLKGNKMBHH-HZPDHXFCSA-N 358.486 1.911 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)C1=CCCCC1)CC2 306127006 FLJBLYDDPZMHGJ-INIZCTEOSA-N 370.515 1.633 0 40 FDAB O=C(Nc1ccccc1-c1nn[nH]n1)C1=NN(c2ccccc2)C(=O)CC1 1557790711 KGJNZINKIPFCLZ-UHFFFAOYSA-N 361.365 1.988 0 40 FDAB COc1ccc(-n2cnc3cc(C(=O)N4CCOCC4)ccc3c2=O)cc1 32071639 AEMYJWDFZBTFQW-UHFFFAOYSA-N 365.389 1.867 0 40 FDAB CN1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 409343585 HMCNABIWELDXKH-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1nnc([C@H]2CCCO2)s1 36360770 MRNUBUSWZRVOTD-GFCCVEGCSA-N 372.410 1.523 0 40 FDAB O=C(O)[C@@H](Cc1c[nH]cn1)NCc1cnc(NCc2ccccc2)nc1 218761026 SJQURSZAILLOTF-MRXNPFEDSA-N 352.398 1.597 0 40 FDAB Cc1nc2ccccc2n1CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 38534979 XPJXQLYVZYAVQA-UHFFFAOYSA-N 368.437 1.732 0 40 FDAB CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 38754985 WHBWVTMGLDFLNE-CQSZACIVSA-N 369.487 1.931 0 40 FDAB O=C(O)c1ccccc1CC1CCN(C(=O)c2nc3ncccn3n2)CC1 563451927 YNFNOGRCPDUGOT-UHFFFAOYSA-N 365.393 1.917 0 40 FDAB Cc1cccc(OCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 223960654 LURXQBJRYCXWAL-HNNXBMFYSA-N 354.472 1.470 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(SC)cc1 45896130 QHSKHWLYEJNVBU-AWEZNQCLSA-N 361.427 1.874 0 40 FDAB CC(C)C(=O)N1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225473009 QRRIWJWETXAITA-UHFFFAOYSA-N 366.531 1.357 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)CCc2c(C)n[nH]c2C)n([C@H]2CCS(=O)(=O)C2)n1 95474593 SJLKMUQOHVFIIE-ZDUSSCGKSA-N 365.459 1.462 0 40 FDAB CS(=O)(=O)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2 96071550 HGYRINIQPNNSKM-OAHLLOKOSA-N 358.485 1.265 0 40 FDAB CCCCN(CC)C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266095 GEJOZYABAQFBQM-UHFFFAOYSA-N 362.455 1.926 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96042872 ZBRDREUCMKTARS-QXAKKESOSA-N 359.470 1.399 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3nccs3)C[C@H]1CN(C(C)=O)C2 96056003 VHFRHNADJRWQNT-YOEHRIQHSA-N 351.472 1.767 0 40 FDAB O=C(COCC[C@H]1CCOC2(C1)CN(c1ncccn1)C2)N1CCCC1 247742188 OYCAVCAJENOCIH-INIZCTEOSA-N 360.458 1.491 0 40 FDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOCc2ccccn2)cn1 248141264 QFSAOQQDTJSVRV-MRXNPFEDSA-N 356.426 1.653 0 40 FDAB CCOc1ccc(-c2noc(CNC(=O)c3cn(C)nc3OC)n2)cn1 252536963 JYSGNLKHDHBYHG-UHFFFAOYSA-N 358.358 1.202 0 40 FDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc(Br)cs1 253472892 QJJWBCUXGMXBJI-SECBINFHSA-N 354.229 1.881 0 40 FDAB CCCn1ccc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)n1 257327203 XALNLDPKHRLLPF-RDJZCZTQSA-N 350.463 1.027 0 40 FDAB Cc1cc(-c2cc(CC3CCN(S(=O)(=O)N(C)C)CC3)ncn2)[nH]n1 257336293 YNULTMNBMKFNBS-UHFFFAOYSA-N 364.475 1.236 0 40 FDAB Cn1ccnc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257239786 HQTRFWWTSPBDDR-KRWDZBQOSA-N 355.442 1.625 0 40 FDAB COCC(=O)N1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C 253408483 XZKQLVSDCAPQRH-KRWDZBQOSA-N 374.485 1.150 0 40 FDAB biogenic,in-vitro Cn1cncc1-c1nccnc1C1CCN(CC2(O)CCOCC2)CC1 257238248 HKCSABZMBZROPO-UHFFFAOYSA-N 357.458 1.598 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)CC1 257334542 YGJHQVNRTJTPGN-MRXNPFEDSA-N 357.458 1.511 0 40 FDAB O=C(c1nccc2ccsc12)N1CC(S(=O)(=O)NC2CCCC2)C1 626411548 JCMWGHOVKRQTTG-UHFFFAOYSA-N 365.480 1.983 0 40 FDAB CC(C)N1CCC(NC(=O)Cn2cc(-c3ccc(CO)cc3)nn2)CC1 1119335951 RVMFWELKGJPBAQ-UHFFFAOYSA-N 357.458 1.426 0 40 FDAB O=C(C1=CCS(=O)(=O)C1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 635775458 DKVVYVOUKNXDHO-CQSZACIVSA-N 372.450 1.533 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 643937744 JCNDLUJYAUJDOF-OAHLLOKOSA-N 351.472 1.434 0 40 FDAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646663339 ZLRAXABJHSHLGY-BGTYHANMSA-N 350.418 1.889 0 40 FDAB O=C(NCc1cc(=O)n2ccccc2n1)N1CCC[C@@H]1CN1CCCC1 651433986 PTQIWCLBAYKYNM-MRXNPFEDSA-N 355.442 1.464 0 40 FDAB Cn1c(N2CCC(c3nc4c(s3)CCCC4)CC2)cc(=O)n(C)c1=O 664031658 HEAYIPOPIPSGHV-UHFFFAOYSA-N 360.483 1.803 0 40 FDAB CN1C[C@@H](NC(=O)c2cncn2-c2ccccc2)[C@H](c2cncn2C)C1 1775959844 BRBQMZKDXJVHKU-HZPDHXFCSA-N 350.426 1.433 0 40 FDAB Cn1c(O)nc(N2CC[C@H](Oc3ccncc3Br)C2)cc1=O 1776008499 IJKNKZZYJQNSQR-VIFPVBQESA-N 367.203 1.301 0 40 FDAB Cc1ccoc1C(=O)N1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 575406114 WABWRZAQOXGOEB-AWEZNQCLSA-N 370.409 1.429 0 40 FDAB CCCn1nccc1-c1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 585180165 ANEPAYAEGPWKLB-MRXNPFEDSA-N 364.475 1.693 0 40 FDAB Cn1cnc2c1C[C@H](COCc1cccnc1)N(C(=O)c1cocn1)C2 585094986 YGDLIQPDGSLTCI-CQSZACIVSA-N 353.382 1.587 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585273366 SUIJAWJPVCYVCB-FQEVSTJZSA-N 357.454 1.494 0 40 FDAB Cn1nncc1S(=O)(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 585091898 BIPGVEYFIGUSNB-CYBMUJFWSA-N 354.407 1.495 0 40 FDAB CCCn1nccc1-c1cncc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 585180164 ANEPAYAEGPWKLB-INIZCTEOSA-N 364.475 1.693 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1(OCCO)CCSCC1 828765326 GSMVTEJUYWJHTM-DUXPYHPUSA-N 365.451 1.819 0 40 FDAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ncccn2)CC1 36389894 UZXCIXDECPSAOR-HNNXBMFYSA-N 368.441 1.013 0 40 FDAB CN(C(=O)C[C@@H]1C=CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 57765046 NOEGZZZHTBZJRH-CYBMUJFWSA-N 354.410 1.486 0 40 FDAB CC(C)N1CC[C@H](N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)C1=O 661177750 RNNWTXOTQZJLPI-BBWFWOEESA-N 355.438 1.113 0 40 FDAB CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 5266381 JDVWBOMWYPUKRF-SFHVURJKSA-N 360.414 1.423 0 40 FDAB CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)N1CCOCC1 5414247 XBDZGJKMACLZGU-HOTGVXAUSA-N 353.463 1.036 0 40 FDAB biogenic,in-vitro Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cccnc1=O)CC1(CCOCC1)O2 12087054 MBLRUUPSGNPJMY-INIZCTEOSA-N 369.421 1.741 0 40 FDAB COc1cccc(CNC(=O)Cn2nc3c4ccccc4ncn3c2=O)c1 12329795 NDGDNLNMNNDUON-UHFFFAOYSA-N 363.377 1.369 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(OC(C)C)cc1 12422044 SOWPMENSPBQGID-UHFFFAOYSA-N 367.409 1.771 0 40 FDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1cn(C)nc1C)CC3 13226794 YOTGAPLLCCLGHK-UHFFFAOYSA-N 357.439 1.507 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc(F)cc1 13676264 NVJXNLVBZDGOQQ-UHFFFAOYSA-N 357.451 1.194 0 40 FDAB O[C@H]1CO[C@H](c2ccccc2)O[C@H]1[C@H]1O[C@H](c2ccccc2)OC[C@H]1O 14586407 NVEGGHPETXMRSV-XAWFRAJHSA-N 358.390 1.937 0 40 FDAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(S(=O)(=O)CC)C[C@@H]12 19528292 UOEKPRXCKHEYTN-PBHICJAKSA-N 350.440 1.385 0 40 FDAB NC(=O)[C@H]1CCCN1C(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 19656354 BQJFHVXNOVZRKF-QGZVFWFLSA-N 368.437 1.309 0 40 FDAB Cc1c(CN2CCC(C(N)=O)(N3CCOCC3)CC2)c2ccccc2n1C 19658482 JECXGESLJIUIJP-UHFFFAOYSA-N 370.497 1.639 0 40 FDAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1nc(C)ncc1C(N)=O 19697439 SWXPMGHQMOBEBK-HNNXBMFYSA-N 360.389 1.539 0 40 FDAB Cc1nnc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)[nH]1 19818947 WSCJUTGXKMMXEN-UHFFFAOYSA-N 358.365 1.830 0 40 FDAB Cc1nn(-c2ccccc2)nc1C(=O)OCc1cc(=O)n2ccccc2n1 18354588 HPDJGRGNWHFRJF-UHFFFAOYSA-N 361.361 1.941 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1 5559430 ZLORTGVUCMSRAZ-UHFFFAOYSA-N 364.467 1.912 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)nn2)n1 1889149234 XCZCDUSUYXEQMT-UHFFFAOYSA-N 362.441 1.576 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3noc4ccccc34)CC2)n1 238927342 UTJFBHRMLZQLKR-UHFFFAOYSA-N 367.409 1.960 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)n1 1565544895 UNGPIEFAOICUEJ-UHFFFAOYSA-N 354.414 1.008 0 40 FDAB O=C(Cc1cccs1)NCCS(=O)(=O)N1CCc2ccccc2C1 10704984 QOMGYYOXAUUOOA-UHFFFAOYSA-N 364.492 1.795 0 40 FDAB COc1cnc(C(=O)N2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)nc1 2055754613 IXCDELVQFPFRAK-CQSZACIVSA-N 357.414 1.385 0 40 FDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2)N1CCCCCC1 2055713464 SLFMRJRSSZPKEE-HNNXBMFYSA-N 360.458 1.321 0 40 FDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(-c2ccc(F)cc2)nn1 2298049975 IHQMFRPDHRQYTE-UHFFFAOYSA-N 361.402 1.724 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccs2)cc1 77115601 ASBVDDRVRGVICE-CYBMUJFWSA-N 362.407 1.713 0 40 FDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N[C@H]3CCCc4ccccc43)nc21 31874252 LEXKACYTVUBBPJ-AWEZNQCLSA-N 350.378 1.429 0 40 FDAB O=C(O)CNC(=O)CNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 20721495 MKTOUWKKWPSIGF-UHFFFAOYSA-N 367.814 1.323 0 40 FDAB CC1=NN(c2ccc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 52823155 VRUBYYZJCOQUCI-OAHLLOKOSA-N 364.471 1.426 0 40 FDAB COC(=O)c1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 103099098 NVSLYWLXTQHKIU-HZPDHXFCSA-N 372.421 1.607 0 40 FDAB Cn1nc(CC(=O)NCC(=O)OCc2ccccc2)c2ccccc2c1=O 22902922 QUBZHWYWUMAJBL-UHFFFAOYSA-N 365.389 1.336 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015769 KBYXYIFIPURIRX-UHFFFAOYSA-N 355.398 1.003 0 40 FDAB Cc1ccc(N(C)CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 78582482 UNRTURQEXOAHLG-UHFFFAOYSA-N 353.488 1.219 0 40 FDAB Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 6679953 ZWPJCFBEYKBXOE-UHFFFAOYSA-N 365.480 1.666 0 40 FDAB CO[C@H]1C[C@H]2C[C@H]1[C@@H]1C3=C(N[C@@H]21)[C@@]1(O)C[C@@H]2CN(CC3)[C@@H]1C[C@H]2[C@@H](C)CO 104097560 BPHRVANFPNGAEB-HAZQPKGGSA-N 374.525 1.357 0 40 FDAB CN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 108794826 JDWCVAZULBIDNA-SFHVURJKSA-N 359.470 1.329 0 40 FDAB COC(=O)c1c(C)nsc1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 58167443 ATGGTLMBPPWIGA-ZDUSSCGKSA-N 374.422 1.943 0 40 FDAB Cc1ccc(C(=O)NCCC(=O)NCC(=O)OCc2ccccc2)c(O)c1 58298340 RTRGBSGGWVRADR-UHFFFAOYSA-N 370.405 1.680 0 40 FDAB NC(=O)CN1CCCN(C(=O)CCc2ccccc2Br)CC1 58244799 ZJHRDPFHIJQTIG-UHFFFAOYSA-N 368.275 1.401 0 40 FDAB O[C@H]1C[C@](CNCc2ccc(Cl)cc2)(COc2cnccn2)C[C@H]1O 107430530 GCZCDEXHSFYJJN-ALXJQNPVSA-N 363.845 1.801 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)[nH]n1 108531910 DRWWGNAPHOLHHC-CQSZACIVSA-N 356.430 1.774 0 40 FDAB Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 95424425 SZBFGYAIZRALJC-ZMSDIMECSA-N 352.394 1.817 0 40 FDAB COCCOc1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 48367315 DRWGMSRQIMSHCM-SUMWQHHRSA-N 365.455 1.177 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)N[C@H]1CCOc2ccccc21 12914623 SDRUTYXSUUWCDN-LBPRGKRZSA-N 357.395 1.131 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1 38270961 RSIMIXJQLQMYJB-MRXNPFEDSA-N 365.499 1.251 0 40 FDAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O 4249296 SSYXTPXVWZWGQW-AWEZNQCLSA-N 367.453 1.963 0 40 FDAB CC(C)(C)C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 5229011 JXUALJMPJCJHJX-UHFFFAOYSA-N 358.485 1.810 0 40 FDAB Cc1ccc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)n2c1 6553362 QMVJLUJAYGYVMO-UHFFFAOYSA-N 361.405 1.871 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccs1 6818933 GMYMJQIKXPVDQG-UHFFFAOYSA-N 368.436 1.794 0 40 FDAB Nc1ccc(/C=C/c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O 5932945 CZXHDWYXINPKFH-OWOJBTEDSA-N 370.408 1.515 0 40 FDAB Cc1cccnc1CNC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 67304746 GZEQXNRWVPUDNZ-UHFFFAOYSA-N 365.393 1.980 0 40 FDAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7374772 WAGBDZWKWYRONO-UHFFFAOYSA-N 360.435 1.915 0 40 FDAB O=C(CSc1nnnn1C1CC1)N1CCN(c2ccccc2F)CC1 8026956 ICWBVPGJIAGCEZ-UHFFFAOYSA-N 362.434 1.588 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 8180883 DGRKFZDRURYFRK-ZDUSSCGKSA-N 373.434 1.634 0 40 FDAB NC(=O)CCn1c(SCC(=O)c2ccc(O)cc2O)nnc1C1CC1 23364528 QAHJPIQEGLSUAM-UHFFFAOYSA-N 362.411 1.417 0 40 FDAB CCn1c(=O)n(CC)c2cc(NC(=O)CN3C(=O)CSC3=O)ccc21 8391684 HTPGXKJQBUSEIO-UHFFFAOYSA-N 362.411 1.477 0 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Cn1nc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c(=O)c2ccccc21 530738969 NAQSQZWXBIHQEN-CQSZACIVSA-N 356.426 1.488 0 40 FDAB CNCCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 36358654 DRMHRCVNFWZPNJ-UHFFFAOYSA-N 357.336 1.256 0 40 FDAB CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C1CCCC1 216331943 JSWYUBQPKXPODE-UHFFFAOYSA-N 357.451 1.840 0 40 FDAB COc1ccc(CCNC(=O)C2(n3cnnn3)CCCCC2)cc1OC 36358774 PYWWQYZSUHXBOF-UHFFFAOYSA-N 359.430 1.709 0 40 FDAB COC(=O)c1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc1C 79485226 JPDMSFCDXWJEIU-LLVKDONJSA-N 361.427 1.883 0 40 FDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(F)c(F)c1)NC(=O)N2 72346481 LHBOGIXATLWNJB-OAHLLOKOSA-N 351.353 1.842 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)OC)s1 225531605 TZWZUTIOISHRFN-UHFFFAOYSA-N 370.412 1.474 0 40 FDAB NC(=O)c1cc(C2CCN(C(=O)Cn3cnc4ccccc43)CC2)n[nH]1 225557753 REOYQJWOWXKQED-UHFFFAOYSA-N 352.398 1.265 0 40 FDAB Cc1noc(-c2cccn3c(CNC(=O)c4cc(C5CC5)on4)nnc23)n1 225747979 DSPMLUYOQZHPTI-UHFFFAOYSA-N 365.353 1.883 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 224317167 KKQKCQVJFSVGJT-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)CC1CC1)CC2 96254933 NURBJVYHVNQEIT-UHFFFAOYSA-N 359.474 1.107 0 40 FDAB Cn1cc(C(=O)N[C@H]2CCO[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 96209273 WEMDHMFVPWZMNM-AZUAARDMSA-N 354.454 1.974 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 96041268 QQTJPJYXKRESRS-IPMKNSEASA-N 352.438 1.772 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn2C1 247864880 XDAOFSMICSCWAR-HNNXBMFYSA-N 362.861 1.931 0 40 FDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1 257327306 XAWNOSKIFCNJKE-OAHLLOKOSA-N 359.430 1.636 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85467039 MXXHGPHYSLXLQP-OAHLLOKOSA-N 354.472 1.081 0 40 FDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)CCc2cccnc2)n1 257218457 DDFGXQKLGCRPRQ-MRXNPFEDSA-N 355.442 1.779 0 40 FDAB Cc1nc(CC(=O)N2CCNC[C@H](Cc3cc(N(C)C)ncn3)C2)cs1 257246090 ISLBTKIPZNFBGR-AWEZNQCLSA-N 374.514 1.141 0 40 FDAB O=C(Cc1ccc2c(c1)CCC2)NC[C@]1(O)CCN(c2ncccn2)C1 257265911 MAWFSBUFEPEBAL-HXUWFJFHSA-N 352.438 1.265 0 40 FDAB COCc1c(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)noc1C 257260627 LDRCZORGWKPNAV-HUUCEWRRSA-N 350.346 1.533 0 40 FDAB C[C@H]1CN(c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)C(=O)O1 257251980 JTCUAGFMSNBTIN-LBPRGKRZSA-N 353.444 1.641 0 40 FDAB C[C@]1(c2ccccc2)CC(=O)N(Cc2nnnn2CC2CCOCC2)C1=O 277376445 ASQWLOAPNJRKOF-LJQANCHMSA-N 369.425 1.317 0 40 FDAB Cc1ccc(CS(=O)(=O)N2CC3(CCNCC3)[C@H]3COC[C@H]32)cc1C 1615592292 WPUHOEYYJUYOSJ-ZWKOTPCHSA-N 364.511 1.834 0 40 FDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)OCC 44074925 IPVQLZZIHOAWMC-LJIZCISZSA-N 368.474 1.941 0 40 FDAB biogenic O=C(NCc1cccc2c1CCCN2)[C@H]1C[C@@H](O)CN1c1ccncn1 638237724 VNAIIKIIELXIIT-RHSMWYFYSA-N 353.426 1.091 0 40 FDAB Cc1nnnn1-c1cccc(N2C(=O)N[C@H](c3ccccc3F)C2=O)c1 683612250 VOBPTCHAMXKQJW-OAHLLOKOSA-N 352.329 1.907 0 40 FDAB COCCn1ccnc1[C@H]1N(C(=O)c2c(OC)ccnc2O)CC1(C)C 1775961579 LAAHNSLBSDUJQW-CQSZACIVSA-N 360.414 1.862 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCN(C)C)CCSCC2)o1 1776111609 GVSZJRZDUALGJY-UHFFFAOYSA-N 354.472 1.487 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(CC(F)(F)F)CC1 730209656 UBHNPAWLCCRVCD-LBPRGKRZSA-N 373.350 1.885 0 40 FDAB CC(C)CCC(=O)N1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 575402935 FPXKJNNCYCAMNB-OAHLLOKOSA-N 360.458 1.650 0 40 FDAB Cc1nccc([C@@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 584907097 OIJUVWOYAYSCNT-OAHLLOKOSA-N 357.458 1.829 0 40 FDAB CO[C@@H]1CN(C(=O)c2cncnc2N)C[C@]12C[C@H](c1ccccc1)CO2 585288022 NCZHDANQTHSYER-ZSZQSSIHSA-N 354.410 1.473 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 585096052 PCGXTDYDDNMMCE-KRWDZBQOSA-N 366.377 1.695 0 40 FDAB CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3(F)CCC3)CC2)O1 585091851 UROAZQOXRUNKCT-ZDUSSCGKSA-N 364.421 1.080 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 585098740 YQIAKRVYEMREQE-XJKCOSOUSA-N 356.426 1.894 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(Cc4ncon4)CC3)n2)n1 1776001052 WQLMYJQQEDQCBY-UHFFFAOYSA-N 355.402 1.266 0 40 FDAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2n1 54389170 MUGQXZBCSDLFAD-LLVKDONJSA-N 368.319 1.414 0 40 FDAB Cc1cc(C)nc(N2CCN(C(=O)COc3c(C)nn(C)c3C)CC2)n1 95977860 FHMORORYHFQMLH-UHFFFAOYSA-N 358.446 1.171 0 40 FDAB Cc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5874514 FIXGJFFXAJEYFK-ZDUSSCGKSA-N 358.394 1.974 0 40 FDAB CCCn1c(C(=O)N2CCc3ccccc32)cc2c(=O)n(C)c(=O)n(C)c21 11845291 DWTPXEOBXBULOR-UHFFFAOYSA-N 366.421 1.652 0 40 FDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 12117074 NWVHEGVYXXFTHF-UHFFFAOYSA-N 364.427 1.947 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12118916 KPHWANMLVDBQIK-LLVKDONJSA-N 365.459 1.280 0 40 FDAB COc1ncc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cn1 19129395 LQQWHSIQKGLBTD-AWEZNQCLSA-N 353.430 1.798 0 40 FDAB O=C(CCn1cccn1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[nH]2)C1 19402532 VTDGOQITIBWPKA-AWEZNQCLSA-N 364.409 1.435 0 40 FDAB COc1nn(CC(=O)N[C@@H](C)Cn2nc(C)cc2C)c(=O)c2ccccc12 19573689 JNCOFPDUKZTSPV-ZDUSSCGKSA-N 369.425 1.423 0 40 FDAB C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 1570644 MPQWSYJGFLADEW-YVEFUNNKSA-N 372.421 1.864 0 40 FDAB in-man N[C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 16900023 KNEYGOJFOKQPQX-PSASIEDQSA-N 363.222 1.770 0 40 FDAB O=S(=O)(NC1CCN(c2cnsn2)CC1)c1ccc2c(c1)CCO2 585149002 WDPBFRFXMKQQGP-UHFFFAOYSA-N 366.468 1.420 0 40 FDAB O=C(NCCN1Cc2ccccc2C1)NCCn1c(=O)oc2ccccc21 592510532 FEVLDBNFWALOTD-UHFFFAOYSA-N 366.421 1.910 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NCc1ccccc1)C2=O 3595701 UQNNZVRBQMEIDG-DJJJIMSYSA-N 372.425 1.513 0 40 FDAB Cn1cnc(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)c1 1888843261 QMKSQBCGBURSSJ-QWRGUYRKSA-N 366.347 1.437 0 40 FDAB Cc1ccnc(N2C[C@H]3CN(S(=O)(=O)N4CCCCCC4)C[C@@H]3C2)n1 1888864064 FRKJHKGCHGYFMP-HOTGVXAUSA-N 365.503 1.274 0 40 FDAB O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCOCC2)ncn1 243842762 RBTACTYXTFWPCX-UHFFFAOYSA-N 351.410 1.767 0 40 FDAB CN[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 53203070 CMQUDRIAKCDTTN-NSHDSACASA-N 363.277 1.830 0 40 FDAB Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)c(C)n1 2056223476 NGQUZAHAENWJEK-CALCHBBNSA-N 368.485 1.811 0 40 FDAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)/C=C/c1cccs1)CC2 1614937989 PXGYOSUHCUHEIW-VUDGCMKMSA-N 374.466 1.465 0 40 FDAB COCC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 1142819058 ROAJQLYQAJEMEW-UHFFFAOYSA-N 359.451 1.647 0 40 FDAB O=C(C1CC(O)C1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 1565542171 AOTXNTIUXWAHAE-HWOWSKLDSA-N 361.442 1.272 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nncn1C 1422950 QGWMNAWELIVFTG-UHFFFAOYSA-N 366.399 1.350 0 40 FDAB COc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1OC 4499745 GZMAOCPDIXQUPY-UHFFFAOYSA-N 372.406 1.838 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2C)C1 2055772673 NOPJVUODIOETKO-QGZVFWFLSA-N 362.455 1.118 0 40 FDAB COc1cccc(CN2C[C@H]3OC[C@H](C(=O)NCC4CCOCC4)[C@H]3C2)c1 2055704340 OUHUYMFEIOEWPW-HSALFYBXSA-N 374.481 1.685 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 206719061 MTCOXDCPADQQBW-UHFFFAOYSA-N 363.443 1.919 0 40 FDAB CCn1c(=O)c2c(nc(NC[C@@H](C)O)n2Cc2ccc(C)cc2)n(C)c1=O 36693339 YOCKDACGOWSWHZ-CYBMUJFWSA-N 371.441 1.066 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OCCCO3)cc1 49705895 BRBLGUVRLYQVHD-UHFFFAOYSA-N 368.455 1.306 0 40 FDAB Cc1nccc(N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)n1 585593582 FZNBQCPAJMCDKX-UHFFFAOYSA-N 350.430 1.815 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2)CC1 101320658 DRFPPVZEUTZOOE-STEAMIEHSA-N 365.433 1.142 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 40013236 YMOJXPMQFUPLLG-OCCSQVGLSA-N 351.403 1.200 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(N2CCOCC2)nc1 21521481 HBNLZUCSUNGNED-UHFFFAOYSA-N 364.446 1.449 0 40 FDAB C[C@@H](CNC(=O)c1cccc(OCC(N)=O)c1)N1CCc2ccccc21 33057696 BVQHSGHDLPLYCG-AWEZNQCLSA-N 353.422 1.732 0 40 FDAB C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)N1CCc2ccccc2C1 23199711 YWYZFOUDMBRXNC-CQSZACIVSA-N 354.410 1.429 0 40 FDAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOc2ccccc21 24051626 KKUBOPUHRSOOHY-ZDUSSCGKSA-N 367.448 1.892 0 40 FDAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[nH]c1=O 79189222 FYCINCFIQRBUIU-CZUORRHYSA-N 353.330 1.937 0 40 FDAB biogenic CN(CC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ncnc2[nH]cnc12 79637562 KAIGDJNETSAPKV-UHFFFAOYSA-N 351.370 1.313 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C 2726417 JILVFLHTEOFOKN-UHFFFAOYSA-N 363.439 1.454 0 40 FDAB Cc1nn(C)c(C)c1CN(C)C[C@H](CC(=O)Nc1cccc(O)c1)C(=O)O 71281543 BNMZBURHBIQGRJ-AWEZNQCLSA-N 374.441 1.904 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4884839 VYHKUBZGMLCDIP-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)no1 6003520 HZJJESKNAPJONX-UHFFFAOYSA-N 352.368 1.490 0 40 FDAB COCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O 101129023 XINSSIWZHNUWKI-ULQDDVLXSA-N 353.378 1.575 0 40 FDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(C)C 8496607 KWQMYXUZJRKIRR-UHFFFAOYSA-N 356.488 1.819 0 40 FDAB COCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 57485904 PXUVGVOAPZSTEY-UHFFFAOYSA-N 373.434 1.188 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 43282933 XTXXZGCAQALIAI-INIZCTEOSA-N 363.439 1.859 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 58163511 INHAATJWATZZRL-HZPDHXFCSA-N 374.485 1.559 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(-c3cccs3)on2)c1 9691286 VZORXHRMHDNKCR-UHFFFAOYSA-N 365.436 1.863 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cccnc1-n1cncn1 58191461 FOPDAGYOLJFLNU-UHFFFAOYSA-N 364.287 1.482 0 40 FDAB COC(=O)c1ccc(N2CCN(Cc3nnnn3C3CC3)[C@H](C)C2)cc1 58218503 WXTHLVIXDKTCGI-CYBMUJFWSA-N 356.430 1.505 0 40 FDAB COc1ccc(CCC(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1F 58279252 SGIXVIRJYMUDJV-UHFFFAOYSA-N 372.400 1.542 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc(F)c1 2179216 YZEIJTCHGUGXCN-UHFFFAOYSA-N 350.415 1.951 0 40 FDAB COc1ccc(CCNC(=N)NCc2ccnc(N3CCOCC3)c2)cc1 58342025 BXOGHNOATCHPRK-UHFFFAOYSA-N 369.469 1.783 0 40 FDAB Cn1nccc1CN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)CCO2 108534394 HVJUTAUINJPEFQ-HNNXBMFYSA-N 358.442 1.957 0 40 FDAB CCn1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccn(CC)n2)n1 36617921 XYPWWROKGVNYBH-UHFFFAOYSA-N 356.390 1.358 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCSCC[C@@]56[C@H]2[C@H]43 104287656 LDQLPMQXZGNMGH-OFUAFVKMSA-N 365.458 1.916 0 40 FDAB CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 47102736 TUJCEEOCQPZSBK-OAHLLOKOSA-N 354.414 1.627 0 40 FDAB CCC[C@@H](c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1 57670010 UQCDKHBQAIXSND-SFHVURJKSA-N 374.489 1.992 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)NC1CC1 12743561 LWBUILHBTUEDDY-DOMZBBRYSA-N 368.455 1.200 0 40 FDAB Cc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 10110483 DJHDKPZCIFKOGN-UHFFFAOYSA-N 372.446 1.889 0 40 FDAB O=C(CNC(=O)c1ccccc1Cl)N[C@H]1CCCN(c2ncccn2)C1 48363916 JKFNOZXAAAHNGR-ZDUSSCGKSA-N 373.844 1.645 0 40 FDAB Cn1nc(C(=O)OCC(=O)NCc2ccccc2)c2ccccc2c1=O 3438434 HZIPKTUQAXLJES-UHFFFAOYSA-N 351.362 1.407 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccco1 3592504 VCYSXLAGPJJXTC-UHFFFAOYSA-N 357.395 1.905 0 40 FDAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 13061181 QJCOUEJGLFIFIM-AWEZNQCLSA-N 368.437 1.991 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CN2C(=O)CCOc3ccccc32)n1 13012169 YYIGQRJQVGPMRC-UHFFFAOYSA-N 356.426 1.822 0 40 FDAB COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13012214 JKLMCAVUZLUASU-VIFPVBQESA-N 355.188 1.091 0 40 FDAB CC[C@H](C)NC(=O)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(C)cc2)C1=O 9077033 RWYRFCLYFNINLP-ORAYPTAESA-N 374.441 1.776 0 40 FDAB Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)N(C)C 5020785 LFFKQPUNEIQFFX-AAEUAGOBSA-N 354.428 1.383 0 40 FDAB CCCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148206 DBMLWNRAXPLFII-UHFFFAOYSA-N 370.388 1.207 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14093289 ILJDRCCKEWOYTG-AWEZNQCLSA-N 372.352 1.762 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc21 14105751 YZIZUGAZTHWXGG-UHFFFAOYSA-N 366.421 1.815 0 40 FDAB NC(=O)c1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 7242150 ONHGNYTVDNLDEA-UHFFFAOYSA-N 373.434 1.210 0 40 FDAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 7411390 QTXRBVVPIGNVBY-IBGZPJMESA-N 361.442 1.711 0 40 FDAB CCC(=O)N(c1nnc(SCC(=O)N2CCCC2=O)s1)C1CC1 7672989 UWUCDFINMGYJFX-UHFFFAOYSA-N 354.457 1.685 0 40 FDAB C[C@@H]1Cc2cc(C(=O)OCC(=O)NC(C)(C)C)ccc2N1S(C)(=O)=O 7936154 YEZKEKZPPIAOBV-LLVKDONJSA-N 368.455 1.469 0 40 FDAB CN1CC(=O)N(CCCC(=O)OCc2nnc(-c3ccccc3)o2)C1=O 7933442 OJAAEKMNRMRXER-UHFFFAOYSA-N 358.354 1.454 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(C)(=O)=O)cc1 8216546 WGJGUOSCJSIPLU-UHFFFAOYSA-N 371.418 1.599 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306129029 HRWSXFJJOYCKLJ-IIAWOOMASA-N 364.467 1.270 0 40 FDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCCCC1 8747460 HVEQWPCDFSMYBR-AWEZNQCLSA-N 365.499 1.878 0 40 FDAB CS(=O)(=O)CC1(CN2CCC(NC(=O)C3CCCCC3)CC2)CC1 89484202 NWQHYTGIYBFMMI-UHFFFAOYSA-N 356.532 1.972 0 40 FDAB Cc1ccc(NC(=O)COCc2ncc[nH]2)cc1S(=O)(=O)N(C)C 89651135 NYERALAGYVYOAY-UHFFFAOYSA-N 352.416 1.124 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CN2CCC(c3nncn3C)CC2)o1 89761925 SBDSBQNLXNWRKE-UHFFFAOYSA-N 353.448 1.038 0 40 FDAB COCCN1C[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O 75613655 IDIMUWXPHAMYHF-SFHVURJKSA-N 373.497 1.305 0 40 FDAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1S(=O)(=O)N1CCCC1 408698110 NRZZPMOLQHEJDI-CYBMUJFWSA-N 370.471 1.635 0 40 FDAB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1OC 30854412 OVVSXGRIJNTBEU-UHFFFAOYSA-N 370.471 1.871 0 40 FDAB O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1COc2ccccc2O1 70930415 UHUSBZITURBMLF-QGZVFWFLSA-N 354.410 1.649 0 40 FDAB Cc1cc(NC(=S)NCCN2CCOCC2)ncc1Br 223892296 GCTZSRFAIAEFOR-UHFFFAOYSA-N 359.293 1.771 0 40 FDAB O=C(NCc1cc(Br)c2c(c1)OCO2)c1cccc[n+]1[O-] 63819743 PLXGKTDUYOPYEH-UHFFFAOYSA-N 351.156 1.741 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1ccc(F)cc1 96051313 DSSSNIXWWWNSIC-FQEVSTJZSA-N 371.412 1.855 0 40 FDAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 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268649831 ORVTWAFDOXDPGZ-KZULUSFZSA-N 361.446 1.913 0 40 FDAB O=C(Cn1cnnn1)N1CCN(Cc2csc(C(F)(F)F)c2)CC1 628278044 WAWAGPPGIKWSGN-UHFFFAOYSA-N 360.365 1.098 0 40 FDAB NCc1cn([C@@H]2CCN(Cc3ccn(-c4ccc(F)cc4F)n3)C2)nn1 631843715 ACTJMFSRBQCWOM-OAHLLOKOSA-N 359.384 1.648 0 40 FDAB C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1)n1ccc(C(F)(F)F)n1 638260200 OPCNMLORSUZLFK-SUHUHFCYSA-N 360.380 1.818 0 40 FDAB CN(C)c1ccc([C@@H]2CCCN2Cc2nnnn2CC(F)(F)F)nn1 643731401 QCWRMIATYKUSBW-NSHDSACASA-N 356.356 1.429 0 40 FDAB C[C@H](NC(=O)N[C@H]1CCc2c(nnn2C)C1)c1ccccc1-n1cccn1 654490321 BBRLWVMSUDOONU-KBPBESRZSA-N 365.441 1.919 0 40 FDAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1nnc2n1CCCCC2 679541835 QCQVDEFSOGERHT-MJBXVCDLSA-N 361.446 1.932 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3cccnc3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585096301 GOAYLMZOIHGPPW-VNHYZAJKSA-N 353.426 1.767 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2ccncc2)C1 585095737 GXQNQVMQNFTSPN-JLSDUUJJSA-N 367.453 1.566 0 40 FDAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3cscn3)CC2)C1 585104241 WYVWJOIJMMKMGX-CQSZACIVSA-N 353.488 1.590 0 40 FDAB Cn1ccc(CC(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)n1 585100905 DMVUQIMCAKVQJM-HXUWFJFHSA-N 367.453 1.399 0 40 FDAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccccn2)[C@@H](O)C1 585286203 XLFHGXHXGBMTRP-FPOVZHCZSA-N 369.465 1.128 0 40 FDAB COCCCn1ccc(NC(=O)C(=O)NC[C@H](C)c2cccs2)n1 75105804 LZWGMCYRKSXUHB-LBPRGKRZSA-N 350.444 1.840 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccccn3)C[C@@H]12 1549161861 OHJILTHNKMJZDL-QGZVFWFLSA-N 370.453 1.489 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615159976 QNRYFDOLZPKHJT-LJQANCHMSA-N 352.394 1.515 0 40 FDAB CCOP(=O)(OCC)[C@H](C(=O)OC)C(=O)C(=O)Nc1cccc(O)c1 5838902 JPCOBXXWQUIDQT-ZDUSSCGKSA-N 373.298 1.708 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(I)cc1 11566215 QIYCKKIYQNNHPG-UHFFFAOYSA-N 369.224 1.996 0 40 FDAB CC(C)(C)C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12118919 KPHWANMLVDBQIK-NSHDSACASA-N 365.459 1.280 0 40 FDAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)NCC3CC3)c(=O)n12 12145246 IUIDEFHJWOYDGA-UHFFFAOYSA-N 353.426 1.868 0 40 FDAB COc1cc(OC)cc(C(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)c1 12223618 URBIGBISCJWYCI-UHFFFAOYSA-N 372.425 1.773 0 40 FDAB COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C)sc3n2)CC1 15731808 BECXVFHZDCAQTG-UHFFFAOYSA-N 371.466 1.790 0 40 FDAB Cc1ccc(C(=O)N[C@H](C)c2ccco2)c(N2CCN(CCO)CC2)n1 19134553 LUJMGBVZIKODFG-OAHLLOKOSA-N 358.442 1.588 0 40 FDAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCCC2)cc1 19590929 LPKVZVDIVRZHFG-SFHVURJKSA-N 365.437 1.994 0 40 FDAB CCc1noc(CCC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1 19746919 RZJWDPPUNYZMSL-SFHVURJKSA-N 364.446 1.241 0 40 FDAB C[C@@H](NC(=O)c1cccn(CC(=O)N(C)C)c1=O)c1nc2ccccc2[nH]1 19751470 GPCDJWXDUDRNLJ-GFCCVEGCSA-N 367.409 1.304 0 40 FDAB COc1ccc(CC(=O)N2CC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 19758167 OBXMHKXGKLRKLN-AWEZNQCLSA-N 354.410 1.451 0 40 FDAB CCCCC[C@@H]1[C@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897390 DLUUCPGURIULFB-OLZOCXBDSA-N 371.430 1.357 0 40 FDAB Cn1nccc1/C=C/C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643551086 IRHYYONHPZODRU-MDRBYLPWSA-N 353.422 1.579 0 40 FDAB CCCc1nc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)co1 541841326 BYCDXTCQGMPNJM-UHFFFAOYSA-N 359.430 1.643 0 40 FDAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)c1F 244942670 CUFINOIKGBBDMX-VIFPVBQESA-N 371.356 1.913 0 40 FDAB CCc1ccc(N2C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)O)C2=O)cc1 16899747 NWCFXBHTDSKQPG-KBPBESRZSA-N 364.423 1.203 0 40 FDAB O=C(NC1=NCCS1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3171818 SWVMYVQJFXWJAZ-UHFFFAOYSA-N 372.427 1.896 0 40 FDAB COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1F 7135793 ISTLRSSXDFNISL-UHFFFAOYSA-N 352.387 1.454 0 40 FDAB Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)nn1C 1888869859 OMTKSMHGLOGGOJ-ACJLOTCBSA-N 359.405 1.979 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccncc5F)C[C@H]4C3)ncnc21 1888903856 AMGAJKWKRKMJDT-TXEJJXNPSA-N 367.388 1.106 0 40 FDAB COc1cccc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)c1 1888913920 SCECMEOVITWREE-GASCZTMLSA-N 364.409 1.341 0 40 FDAB Cn1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)n1 1565546718 IWEMXKOATYMFHB-UHFFFAOYSA-N 367.453 1.399 0 40 FDAB Cn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O 2711218 TVAJNCLGGXLZLZ-UHFFFAOYSA-N 372.606 1.752 0 40 FDAB CCOc1ccc(C(=O)Nc2c(N)nc(SCCOC)[nH]c2=O)cc1 4248908 QXZQKDXSCXWACQ-UHFFFAOYSA-N 364.427 1.742 0 40 FDAB COc1cc2c(cc1OC)CN1C(=S)N(C[C@@H]3CCCO3)C(=O)[C@H]1C2 4761255 JUZIJWUKWUGDFW-UONOGXRCSA-N 362.451 1.737 0 40 FDAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 6571971 IXBOUVNRBGHKAS-GFCCVEGCSA-N 367.409 1.274 0 40 FDAB COC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 10256423 BJDGYZJBVFTZKF-UHFFFAOYSA-N 369.385 1.108 0 40 FDAB COc1cc(COCC2CCN(C(=O)c3cn(C)nn3)CC2)cc(OC)c1 206599211 YYVWUQAWIHFBKO-UHFFFAOYSA-N 374.441 1.901 0 40 FDAB O=C(NCCc1ccccc1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003962 HAPUQNMKYAYXNG-UHFFFAOYSA-N 365.499 1.733 0 40 FDAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(N)=O)c2n1 49002084 BPRQMZVVGNJWFX-UHFFFAOYSA-N 354.341 1.582 0 40 FDAB Cc1c(Cl)ccc(S(=O)(=O)N2CCN(CCO)CC2)c1Cl 12998495 JIMGCZUDLMXBPL-UHFFFAOYSA-N 353.271 1.600 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 40159364 MCYUQTSCYHNQDP-MRXNPFEDSA-N 353.325 1.947 0 40 FDAB COC(=O)c1oc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1C 30756648 JAZPYGMANQLNIU-UHFFFAOYSA-N 356.334 1.897 0 40 FDAB COCCn1c(C(=O)NCCn2nc(C)cc2C)nc2ccccc2c1=O 32088049 OZBMPZGUOQCSIX-UHFFFAOYSA-N 369.425 1.286 0 40 FDAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)NC(=O)NC2CC2)cc1 52714697 UFCAKZSXNHAMAK-OAHLLOKOSA-N 360.414 1.086 0 40 FDAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 23197548 JWSWHLZNFSJVBS-IAGOWNOFSA-N 352.500 1.490 0 40 FDAB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(OC(F)F)cc2)s1)c1ccncc1 104548710 IVSYIXAXUQOZER-TYVLLQCESA-N 374.368 1.925 0 40 FDAB CN(CCNS(C)(=O)=O)C(=O)c1cc(Br)ccc1F 78694827 PHYRPLLKCZIMCT-UHFFFAOYSA-N 353.213 1.209 0 40 FDAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCCCC1 1344634 JSNWIXIZZRMQJL-UHFFFAOYSA-N 370.388 1.519 0 40 FDAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O)C(=O)O 1721147 BOYWLMZPQOQQHS-INIZCTEOSA-N 352.346 1.816 0 40 FDAB COc1ccc(-c2nnc(CN3CCCN(S(C)(=O)=O)CC3)o2)cc1 24925375 OKLIXXIIUOTSFK-UHFFFAOYSA-N 366.443 1.213 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 3483861 ONDBKOVISVOSNT-GHMZBOCLSA-N 366.414 1.601 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1C 3545315 XJANQJUKHPMKPG-UHFFFAOYSA-N 353.835 1.658 0 40 FDAB NC(=O)CCn1c(SCC(=O)N2CCc3ccccc32)nnc1C1CC1 25047942 JDZUCSUFNQMHKI-UHFFFAOYSA-N 371.466 1.712 0 40 FDAB CCN(CC)CCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 6949409 HMAWKZIJKOMGGY-SFHVURJKSA-N 373.428 1.869 0 40 FDAB CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 56099613 ZYVASZQYHLXEII-CQSZACIVSA-N 353.492 1.544 0 40 FDAB C[C@@H]1c2ccsc2CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 25605031 JTKQFUSNHWRGCJ-SECBINFHSA-N 356.407 1.443 0 40 FDAB COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCC(N)=O 9187988 HKQYLDUIRSPVLL-UHFFFAOYSA-N 374.418 1.753 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCN(C(C)(C)C)CC2)c1 58140114 RGHXVHQOLPMANP-UHFFFAOYSA-N 367.515 1.883 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1 9939404 UDJNBYJQOKNFLY-RYUDHWBXSA-N 374.821 1.971 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 108453491 MJUZBYJAUJXGTD-AYDFFVQHSA-N 357.410 1.809 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100552525 BTVMWZCLBJEHHI-DSIZOQBWSA-N 371.389 1.452 0 40 FDAB O=C(CN1CCCC1=O)NC[C@H]1CC[C@H](c2n[nH]c3nccnc32)CC1 100213925 REKCCVQOSRETRC-BETUJISGSA-N 356.430 1.365 0 40 FDAB CNC(=O)C1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 29164531 OIAUNFQIHSQXFN-UHFFFAOYSA-N 362.430 1.050 0 40 FDAB CCN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4ccncc4)CC2)[C@@H]3C1=O 100164743 VSEZDCVWCRRUNX-IIMDRIAPSA-N 367.449 1.590 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)s1 46992744 LJTMVWYNVQPWJN-UONOGXRCSA-N 371.528 1.196 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1ccccc1F 24034512 GNUQYFAFCWWTGQ-MRXNPFEDSA-N 355.369 1.605 0 40 FDAB COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(OC)cc2)cc1 3266797 DJJIAJRCMNPZBK-UHFFFAOYSA-N 357.362 1.955 0 40 FDAB CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1 3355896 KBPXIXLUNXZVCU-UHFFFAOYSA-N 373.478 1.899 0 40 FDAB COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1OC 3308958 WLXRQUIUSGVQEL-UHFFFAOYSA-N 371.418 1.980 0 40 FDAB C[C@H](C(=O)N1CCNC1=O)N1CCN(Cc2c(F)cccc2Cl)CC1 48345662 RODAYPDDJZAXJD-GFCCVEGCSA-N 368.840 1.537 0 40 FDAB Cc1cc(C(=O)OCC(=O)N[C@H](c2ccccc2)c2nccn2C)on1 21493066 LCPCWPMDPDONPH-MRXNPFEDSA-N 354.366 1.779 0 40 FDAB CN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)N1CCCCCC1 12949771 GCKYCLSCURAPAK-UHFFFAOYSA-N 356.473 1.537 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 13113018 BKAUYMVKWPACNY-OAHLLOKOSA-N 352.456 1.027 0 40 FDAB COc1ccccc1[C@@](N)(C(=O)NC[C@@H](O)c1ccco1)C(F)(F)F 96007102 KJDNZRWSJNRARU-IAQYHMDHSA-N 358.316 1.854 0 40 FDAB O=C(CCCc1nnc2ccccn12)N1CCN(c2ccccn2)CC1 72403336 UJCOXPYUCGJXPD-UHFFFAOYSA-N 350.426 1.796 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 408548248 FCNPNWBWIXVNRC-MDWZMJQESA-N 370.317 1.711 0 40 FDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 13591621 BAUVBXLDNZRGPD-QZHFEQFPSA-N 373.497 1.527 0 40 FDAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(OC)c1OC 39585143 MOXZGLXPGHYEHQ-NSHDSACASA-N 353.371 1.117 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCCCC1 9306711 JUZNRXSMJSQYIE-CQSZACIVSA-N 355.460 1.847 0 40 FDAB CCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)cn23)n(C)c1=O 4314058 DDUGMTDZFJWYLQ-UHFFFAOYSA-N 367.409 1.535 0 40 FDAB COC(=O)C1=NO[C@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 5399014 AFVPSXUIEBBIEV-AWEZNQCLSA-N 357.149 1.945 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1 408558053 IFMSWMWBELJCDZ-BBRMVZONSA-N 362.451 1.802 0 40 FDAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cn1 14801165 CLVXJMCVVSXIFM-UHFFFAOYSA-N 364.427 1.133 0 40 FDAB Cc1nn(CC(=O)NC(C)C)c(C)c1S(=O)(=O)N1CCC(C)CC1 7025439 YWGKTTIFMKDWNS-UHFFFAOYSA-N 356.492 1.445 0 40 FDAB COC(=O)C1CCN(C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1 7015396 HUCFZGKMQIOFDQ-MRXNPFEDSA-N 367.442 1.466 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 95369220 IHYWWUNQZXNBBH-KURKYZTESA-N 372.465 1.914 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN(C)C)C2)cc1 22258776 NSYJHMAGIVPZAQ-MRXNPFEDSA-N 367.515 1.464 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@@H](C)C2)c(=O)[nH]c1=O 7340604 RSFWPNUSTGJGQT-CYBMUJFWSA-N 365.478 1.004 0 40 FDAB COc1cc(CNCCO)ccc1OCc1nnnn1-c1ccc(C)cc1 7540323 VBNLMIXLPDWLIG-UHFFFAOYSA-N 369.425 1.640 0 40 FDAB Cn1nc(C(=O)NCCCN2CCCCCC2=O)c2ccccc2c1=O 7798127 POYOIMHKQUJDQA-UHFFFAOYSA-N 356.426 1.456 0 40 FDAB CCOC(=O)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 7946215 LGMVDANZXAOAQO-UHFFFAOYSA-N 354.428 1.753 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 8086937 GKGYCQDBDQFSDW-BLLLJJGKSA-N 350.440 1.378 0 40 FDAB O=C(COC(=O)CCOc1ccccc1)NCC(=O)Nc1ccc(F)cc1 8008907 GVFFUYJKGCDYPE-UHFFFAOYSA-N 374.368 1.893 0 40 FDAB C[C@@H]1CCCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)C1 8132674 YHTBTGGLBJOBKQ-VXGBXAGGSA-N 373.500 1.397 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)O)CC2)cc1 8428527 JNLCCEPFVYYUDK-AWEZNQCLSA-N 354.472 1.981 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)CSc1nc(C2CC2)n[nH]1 8924415 CSUHEWKKSQMCLH-UHFFFAOYSA-N 352.441 1.816 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c2ncccc12 97015108 XSELDJDFHMRFPJ-NSHDSACASA-N 362.415 1.114 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20110983 DMIRQPUSGHUFFI-UHFFFAOYSA-N 356.444 1.527 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCO 409235255 OLUIYVKNJVDLIC-UHFFFAOYSA-N 362.451 1.206 0 40 FDAB Cc1cc(NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)nc(O)n1 522020160 WVRWPNONPVDRGC-WBMJQRKESA-N 356.382 1.245 0 40 FDAB O=C(c1cccs1)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 72325116 HZXNSYDPVGHSMJ-LLVKDONJSA-N 361.452 1.857 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217466864 MOGOBABVBYQLBP-UHFFFAOYSA-N 374.459 1.537 0 40 FDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O 77266418 KREDNOREWQHNCY-OAHLLOKOSA-N 357.389 1.321 0 40 FDAB biogenic,in-vitro COc1cccc([C@@H](O)[C@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1OC 40267355 ROWAKELLCPMBIU-QUCCMNQESA-N 370.405 1.745 0 40 FDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccnc2)CC1 40033945 QUNHUNQRKKAJDF-SFHVURJKSA-N 370.453 1.773 0 40 FDAB O=C(c1ccco1)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 96051277 XWERWKADWGOIFQ-IBGZPJMESA-N 356.378 1.554 0 40 FDAB CCn1cc(Cc2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)cn1 585084162 BFDBFMSLAJPGCR-UHFFFAOYSA-N 353.430 1.691 0 40 FDAB CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 96069724 FOEGZCPXGHYUKQ-HNNXBMFYSA-N 351.472 1.650 0 40 FDAB O=C(NCc1nc(C2CCN(CCCO)CC2)n[nH]1)OCc1ccccc1 585138570 FGNYYEOGVOCRPK-UHFFFAOYSA-N 373.457 1.793 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(C4CCN(C)CC4)C3)ccnc12 257307019 SWXFTHWNFWALNC-AWEZNQCLSA-N 356.474 1.363 0 40 FDAB CC(C)n1nccc1NC(=O)CN1CCC2(CC=CCN(C)C2=O)CC1 257261071 LFPRFPGJYNOZEH-UHFFFAOYSA-N 359.474 1.903 0 40 FDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(N2CCOCC2)cn1 43484494 PPGLCUIWOSESCT-UHFFFAOYSA-N 355.320 1.772 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H](Cc3cc(-c4nccn4C)ncn3)C2)no1 257344487 ZXMJFUQMTXEQJE-ZDUSSCGKSA-N 352.398 1.878 0 40 FDAB CC(C)n1nccc1C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257229160 FWXHNBMHCKAJME-NSHDSACASA-N 351.432 1.220 0 40 FDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)[C@@H](C(N)=O)C1 257316453 VFQPSBNBUDGXSQ-GOSISDBHSA-N 353.422 1.653 0 40 FDAB C[C@@H]1CN(CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@@H](C)O1 547858900 PWHWBJBICYWAMJ-HZPDHXFCSA-N 350.459 1.939 0 40 FDAB CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C[C@@H](C)O)cc1 279752237 LFUAMLLJXBUBJB-PBHICJAKSA-N 368.499 1.892 0 40 FDAB CC(C)=C(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C2 1775990423 FSSBTJIPMHWKJU-LXTVHRRPSA-N 365.449 1.756 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 643826813 VTTQENSWFXGWGZ-MRXNPFEDSA-N 350.806 1.856 0 40 FDAB CO[C@@H](CS(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C1CCCC1 656967068 GAVWKZAIQBISOP-ZBFHGGJFSA-N 362.536 1.298 0 40 FDAB Cc1cncc(CCNC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)n1 661122760 HYXYYGFXJSQTKA-QAPCUYQASA-N 367.453 1.816 0 40 FDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)N1CCN(c2cnn(C)c2)CC1 661903936 IMHFXEQUCQKBDP-DLBZAZTESA-N 355.442 1.816 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCO1 572244466 IOVHARSDEPMIDB-LLVKDONJSA-N 353.318 1.266 0 40 FDAB O=C(Cn1ccc(C2CC2)n1)N1CC[C@](O)(COc2cccc(F)c2)C1 585276851 RVTMOKJWYLYOKR-LJQANCHMSA-N 359.401 1.942 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 57416264 WRECGNVBSYSIIB-ZDUSSCGKSA-N 359.879 1.811 0 40 FDAB O=C(Nc1cccc(N2CCOCC2)c1)N1CCC[C@H](n2ccnn2)C1 515468917 KMXYRNZWHGWUET-KRWDZBQOSA-N 356.430 1.984 0 40 FDAB O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCCC3)ncnc21 11665983 JWWIVVXWDITIAP-UHFFFAOYSA-N 368.416 1.925 0 40 FDAB COc1ccc(-c2ocnc2C(=O)N2CCN(C(C)=O)CC2)cc1OC 12115174 PEGJLQCBXPHRNG-UHFFFAOYSA-N 359.382 1.663 0 40 FDAB Nc1cc(-c2ccco2)nn(CC(=O)NCCOc2ccccc2)c1=O 12146640 JQDXYQWETKYQQJ-UHFFFAOYSA-N 354.366 1.281 0 40 FDAB Cc1ccc(CC(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1 12181459 QUPOKVLKMKEMQM-UHFFFAOYSA-N 352.438 1.806 0 40 FDAB COc1ccc(CC(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 12223639 RYMVDZZVGAPBCX-UHFFFAOYSA-N 356.426 1.694 0 40 FDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)CC1(CCOCC1)O2 12337441 IWLGNGLLNMORTB-GDBMZVCRSA-N 358.438 1.962 0 40 FDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)C1 17076214 QEMDEGFSODTGJP-NVXWUHKLSA-N 372.421 1.796 0 40 FDAB COCC(=O)N1CCC[C@H](c2ncc(C(=O)N3CCCCC3)c(C)n2)C1 19763257 VYVIGNKRGYMSSA-HNNXBMFYSA-N 360.458 1.764 0 40 FDAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N1CCC[C@@H](N2CCCC2)CC1 654638982 MMHWNGNIPJOLNW-HUUCEWRRSA-N 362.478 1.816 0 40 FDAB CCc1nc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)nc(O)c1F 1888864307 MQDMVIXJZOAXRL-CHWSQXEVSA-N 357.389 1.487 0 40 FDAB CCn1nnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@@H]2COCC1CC1 1614931930 HGCPOUBVIONCDJ-QGZVFWFLSA-N 373.432 1.927 0 40 FDAB CC(C)(C)OC(=O)NC(=N)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 5706898 OQWAHTOOZRMPBJ-SNVBAGLBSA-N 374.438 1.794 0 40 FDAB COc1cc(CSc2nc3c(cnn3CCO)c(=O)[nH]2)cc(OC)c1 7418412 HWSUSVZVLMLPDD-UHFFFAOYSA-N 362.411 1.421 0 40 FDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c1 10330882 BCMGJXDWYATICO-AWEZNQCLSA-N 361.398 1.654 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2)C1 2055771957 MMOVQHYAQDMFTI-KRWDZBQOSA-N 362.455 1.151 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@@H]2CCCCO2)CC1 585502936 YURRKORMYJZOBO-KRWDZBQOSA-N 357.458 1.710 0 40 FDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 40153440 YGBXFGBZKNQLAX-JTQLQIEISA-N 351.384 1.408 0 40 FDAB CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 40156808 FDZMRGCNJUHLOV-UHFFFAOYSA-N 362.407 1.628 0 40 FDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2ccn(C)n2)C(C)C)c1 50821169 IVMKTBJJSWQNEN-MRXNPFEDSA-N 360.414 1.830 0 40 FDAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2cccc(OC)c2)C1=O 101377373 GZNOAXBSPBUTHO-KAAZQUNHSA-N 360.366 1.635 0 40 FDAB CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 32780713 YEFRDTCQAWBZHC-GFCCVEGCSA-N 370.858 1.726 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716736 SCCMJYHISLSFQK-CRAIPNDOSA-N 359.470 1.960 0 40 FDAB COc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3cc(C)ccc32)cc1 21721064 SNKDRLPDHOBPMV-MRXNPFEDSA-N 362.407 1.445 0 40 FDAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)n2n1 52930177 CACSBFHZMAKIAL-CQSZACIVSA-N 364.471 1.233 0 40 FDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1COc2ccccc2C1 53045538 KNDURLYWWNJZHH-LBPRGKRZSA-N 352.312 1.987 0 40 FDAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 22145163 XKXCTUUQHRNMLJ-INIZCTEOSA-N 360.410 1.608 0 40 FDAB O=C(NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22383538 RALPDYRECNBAAC-UHFFFAOYSA-N 358.508 1.377 0 40 FDAB Cc1ccccc1[C@@H](OC[C@H](O)CN1CCNC(=O)C1)c1ccccc1 23389901 XAIYUULBXAOGRV-NQIIRXRSSA-N 354.450 1.894 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 24050974 XKIXBPJHDUOGKE-UHFFFAOYSA-N 351.449 1.837 0 40 FDAB O=C(Cn1nnc2ccccc21)NC[C@@H](c1cccs1)N1CCOCC1 24989352 YBBWSVBSEFXJRS-INIZCTEOSA-N 371.466 1.683 0 40 FDAB O=C1COc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2N1 25694622 NFZWYSNTABEPHG-UHFFFAOYSA-N 362.363 1.590 0 40 FDAB CC(=O)N1C[C@H](C(=O)O)CN2CCN(Cc3ccc(C)s3)C[C@@H]2C1 107201034 UYKJPGHRLUEEBX-HUUCEWRRSA-N 351.472 1.106 0 40 FDAB CCOC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 57499486 DSOBWLITHPOBQB-AWEZNQCLSA-N 362.401 1.980 0 40 FDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(-n2cnnn2)c1 10027420 OTFDZJOIVDCDJB-INIZCTEOSA-N 352.398 1.822 0 40 FDAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)OCCO 21712142 QJASQXDPWXGIHK-VMPITWQZSA-N 351.380 1.307 0 40 FDAB CCC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)OC 45097150 WDUCQVGYVDBSGC-MRXNPFEDSA-N 354.428 1.581 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 36392152 IZTZHEDGNZMDAK-IUODEOHRSA-N 370.471 1.965 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 36391733 FRZOIHNGFKBKNP-UHFFFAOYSA-N 355.442 1.433 0 40 FDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3262166 OOGFIFLOPBGMJC-UHFFFAOYSA-N 370.361 1.847 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 57478742 YGWRBLLRMMOQNT-UHFFFAOYSA-N 355.419 1.834 0 40 FDAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1)c1ccccc1 12324721 PCNCXCBSLSLSMP-INIZCTEOSA-N 366.421 1.689 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)C1=O 3369219 IVVMZYSAOPFGBH-OLZOCXBDSA-N 367.446 1.335 0 40 FDAB COC(=O)C[C@@H]1NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O 12979353 NREOEWHUSCAPNJ-LBPRGKRZSA-N 373.331 1.492 0 40 FDAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1C 13041177 CFSRTFAVTOURHW-CQSZACIVSA-N 358.442 1.327 0 40 FDAB COCCCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)n[nH]c1=O 49782990 BEHOQEUBBIPVQO-UHFFFAOYSA-N 368.434 1.498 0 40 FDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(=O)NCc1ccccc1 6077321 ANPOEXHTZYMXNY-UHFFFAOYSA-N 358.398 1.267 0 40 FDAB Cn1cccc1[C@@H](O)CCNC(=O)CCS(=O)(=O)c1ccccc1 225592580 IAUZDJZLLGCMDZ-INIZCTEOSA-N 350.440 1.429 0 40 FDAB CN(C)C(=O)COc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 66159968 UUHMSDIPLYWZKJ-INIZCTEOSA-N 360.458 1.856 0 40 FDAB CC(C)c1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4732097 GMIFFRBRKQRUDM-UHFFFAOYSA-N 369.425 1.586 0 40 FDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 4999951 OXNZSCWZXVCCCO-UHFFFAOYSA-N 359.426 1.259 0 40 FDAB CNC(=O)NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524064 PEWWHHHOWXJLON-UHFFFAOYSA-N 359.352 1.068 0 40 FDAB Cc1csc2nc(CSc3nnnn3C[C@@H]3CCCO3)cc(=O)n12 9512723 JKCSVNPUUROSEF-NSHDSACASA-N 364.456 1.522 0 40 FDAB CCN(C)C(=O)c1cnc2n1C[C@@H](NC(=O)c1cccc(N(C)C)c1)CC2 306131333 KCBOBUFIRKVBTP-HNNXBMFYSA-N 369.469 1.786 0 40 FDAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCNC(=O)c1ccoc1 96998205 HFMUENCBSBDRBU-SWLSCSKDSA-N 355.394 1.794 0 40 FDAB CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)NC1 18321132 WZKZXLSOEOLDKU-LBPRGKRZSA-N 351.186 1.244 0 40 FDAB CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 8779989 STEMRYHJJCAQJJ-UHFFFAOYSA-N 365.434 1.471 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)CNc1ccccc1CS(C)(=O)=O 71185497 ZIIQQUNZWUFTMW-UHFFFAOYSA-N 350.444 1.035 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC2(O)CCCCC2)n(-c2ccccc2)n1 89595772 RREIOXSTWYBQID-UHFFFAOYSA-N 356.426 1.931 0 40 FDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2nccs2)CC1 21379961 YUBXVMXHOXEWQI-SNVBAGLBSA-N 365.484 1.453 0 40 FDAB O=C(c1ccno1)N1CCO[C@@H](c2nnn3cc(N4CCCC4)ccc23)C1 306132673 LPBWRBVHAQKYAI-MRXNPFEDSA-N 368.397 1.531 0 40 FDAB CCn1cc(Br)c(CN(C)C(=O)c2c(C(=O)O)cnn2C)n1 36615521 UJGOQHINXWSEDM-UHFFFAOYSA-N 370.207 1.369 0 40 FDAB Cc1ccc(-n2nnc(CC(=O)N3CCN(c4ncc[nH]4)CC3)c2C)cc1 551997859 BXLRZQDCHHYGLD-UHFFFAOYSA-N 365.441 1.499 0 40 FDAB COc1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C(C)=O)C3)c1 72373903 YQXFCLNKEQTMED-MRXNPFEDSA-N 369.425 1.626 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@]1(O)CCCc2occc21 1565523215 JHQBGOFQWPMJDG-LJQANCHMSA-N 358.394 1.245 0 40 FDAB COc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1Cl 32647422 HWYURSDLXYMSJJ-UHFFFAOYSA-N 362.777 1.134 0 40 FDAB CCn1ncc(C(=O)N2CCc3nc4ccccc4c(=O)n3CC2)c1C 72347926 LODLRLXMLKOGHZ-UHFFFAOYSA-N 351.410 1.620 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N1CCCCC1 40149786 VCFXPSNBBJPAPN-GFCCVEGCSA-N 365.455 1.251 0 40 FDAB CSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)s1 224164657 DEGWTHBTAJJOQC-UHFFFAOYSA-N 358.470 1.519 0 40 FDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nnc(C2CC2)s1 40267636 KRKMFJOXFVVLNA-UHFFFAOYSA-N 356.411 1.939 0 40 FDAB Cn1cnnc1SCC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386216 LYYZFIMEFDHSKN-CYBMUJFWSA-N 371.422 1.085 0 40 FDAB O=S(=O)(Cc1cc(F)cc(F)c1)N1CC[C@@H](Oc2cccnn2)C1 225419934 LNUSSVWMLYZEDC-CQSZACIVSA-N 355.366 1.738 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccccc1F 225106206 HEMFNBFSQNTXHJ-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(C(=O)NCc3cccnc3)C2)C1 96225530 CDCUBFVHKLONNF-GOSISDBHSA-N 359.430 1.379 0 40 FDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)c1 96253305 ASTWHLBPAVFHCQ-HSALFYBXSA-N 367.449 1.996 0 40 FDAB Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)c2ccno2)C1 96244505 DBJAPXSCBYKAIR-IBGZPJMESA-N 369.425 1.909 0 40 FDAB Cc1occc1C(=O)N1CCOC[C@@]2(CCN(Cc3nccn3C)C2)C1 96062365 VUJPRWHGYSKTJG-LJQANCHMSA-N 358.442 1.686 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)CN1c1ncccn1 96051822 FWLIMGMLZAUYSC-INIZCTEOSA-N 368.441 1.414 0 40 FDAB Cn1cc(N2C[C@]3(COCCN(Cc4ccsc4)C3)OCC2=O)cn1 96051422 PAVDRYZBEPIQIU-QGZVFWFLSA-N 362.455 1.116 0 40 FDAB CO[C@H]1C(=O)C[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14OC)c1cc2c(cc13)OCO2 96023895 QJDYNQYLCIPODD-HVTWWXFQSA-N 373.405 1.533 0 40 FDAB biogenic Cc1cccc2nc(CN3CCC[C@H](c4nc(N(C)C)no4)C3)cc(=O)n12 585080284 YKWFGACYQPWQLQ-AWEZNQCLSA-N 368.441 1.832 0 40 FDAB Cc1nc(NCCNC(=O)OC(C)(C)C)sc1S(=O)(=O)N(C)C 255187725 GLLNOTYFIFBNNK-UHFFFAOYSA-N 364.493 1.638 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257258379 KTPMVRGYZRKGCN-INIZCTEOSA-N 359.430 1.017 0 40 FDAB CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(O)nc2)CC1 265506760 QUUMHAAVHPLPOY-UHFFFAOYSA-N 355.460 1.245 0 40 FDAB Cc1noc([C@H]2CN(C(=O)Cc3nn(C)c4ccccc34)C[C@@H](C)O2)n1 628863668 HWIJRCTZWYTLCN-BDJLRTHQSA-N 355.398 1.796 0 40 FDAB Cc1cncnc1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 96024443 CMEXCOMDFPPWQR-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB O=C(CN1CC[C@H](c2cc(O)nc(O)n2)C1)N1CCC[C@@H]2CCCC[C@@H]21 639731694 OPQLMWNQSQEKDW-DZKIICNBSA-N 360.458 1.858 0 40 FDAB COc1cc(NS(=O)(=O)c2cn(C)cn2)ccc1N1CCCC1=O 96025614 WOKSLHISUNGUQU-UHFFFAOYSA-N 350.400 1.356 0 40 FDAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O 96036607 JPDOVCBPAGDFAD-HXUWFJFHSA-N 362.518 1.714 0 40 FDAB COc1cccc(OCCN2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)c1 659313977 FHQCYYYPZVDCMG-UHFFFAOYSA-N 373.497 1.880 0 40 FDAB CN(Cc1nc([C@H]2C[C@H](F)CN2)n[nH]1)C(=O)Cc1cccc(F)c1F 1775958425 YLYLCXSYCUWXPH-CMPLNLGQSA-N 353.348 1.657 0 40 FDAB CCN1CCO[C@@H](CNc2nccn3nc(C)cc23)[C@@H]1c1cncn1C 1775959235 MPCCHZOJPSGLOD-IRXDYDNUSA-N 355.446 1.645 0 40 FDAB O=C(C1CC1)N1CCN(Cc2nnnn2C2CC2)CCC12CCOCC2 1775962728 ABOFHDXIWRGHIP-UHFFFAOYSA-N 360.462 1.002 0 40 FDAB CS(=O)(=O)CCN1C[C@@]2(CCCN(CC3CC(F)(F)C3)C2)C1=O 585099317 CUTMYJQXLRSWFB-AWEZNQCLSA-N 350.431 1.001 0 40 FDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccncc3)C[C@H]12 1549161938 RETYSDGGFWMCDC-KRWDZBQOSA-N 370.453 1.489 0 40 FDAB O=C1NC[C@@]2(CCCN(CC(=O)N3CCCCC3)C2)Oc2ccccc21 12087286 JRSVRLMZROIZGP-HXUWFJFHSA-N 357.454 1.656 0 40 FDAB C=COCCNC(=O)Cn1nc(CCC)n2c(cc3ccsc32)c1=O 12144896 LOULXWKEDFQOKJ-UHFFFAOYSA-N 360.439 1.940 0 40 FDAB CCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 12553302 LKWVIEVXMODUAO-UHFFFAOYSA-N 360.501 1.618 0 40 FDAB COc1ccc(OCC(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1 19287873 GCSBIGTVMBGXQS-UHFFFAOYSA-N 359.426 1.633 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704605 IHBQVGIPWILZER-GFCCVEGCSA-N 368.434 1.724 0 40 FDAB COc1ccc(CCC(=O)N2CC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 19758347 ZSSVPACCRLPMJG-OAHLLOKOSA-N 368.437 1.841 0 40 FDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC(=O)C(C)(C)C)n2)cc1 35315672 BVSCSMGHAMVOAL-UHFFFAOYSA-N 357.410 1.650 0 40 FDAB CCCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371598 PXGDBTPIGIDULS-GJZGRUSLSA-N 363.476 1.545 0 40 FDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888843905 WUJBNKGAZDLYSC-QWRGUYRKSA-N 361.389 1.961 0 40 FDAB Fc1cnc(OC[C@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888888198 ROLZFXOFRLBOMP-PIGZYNQJSA-N 355.377 1.968 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(OC2CCOCC2)nc1 245015151 LNWCALWVFXUMRG-UHFFFAOYSA-N 365.430 1.894 0 40 FDAB O=C1COC[C@@]2(CN(Cc3ccncc3)CCO2)CN1c1ccccc1 2037980914 MXSJXSIGZZMTDQ-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB O=C([C@@H]1CCOC1)N1C[C@H]2c3nc(NCCN4CCCC4)ncc3C[C@H]2C1 1565555023 OFYAJRMCKRTBDT-HYVNUMGLSA-N 371.485 1.119 0 40 FDAB OCCN1CCN([C@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22031140 KLNWXDQRLFKHDM-CQSZACIVSA-N 359.455 1.196 0 40 FDAB C[C@@]12C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)N1CCc1c2[nH]c2ccccc12 16041686 VKJLHLPVZYUVCS-ADLMAVQZSA-N 373.434 1.391 0 40 FDAB biogenic CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1 248087890 TUWPUOCSWFVTOY-AJNGGQMLSA-N 355.479 1.118 0 40 FDAB biogenic Cc1ccnn1-c1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 40024462 AKWQDYVYTAXARQ-UHFFFAOYSA-N 362.455 1.335 0 40 FDAB Cn1c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n(C)c1=O 20622034 YPIQGSAEXSYPMX-CQSZACIVSA-N 360.801 1.159 0 40 FDAB biogenic O=CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20729873 QRCWVWJOHKWGPO-AWEZNQCLSA-N 366.215 1.830 0 40 FDAB C[C@@H](C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O 102289003 ITWFGSHIRAUXNT-WWGRRREGSA-N 372.421 1.909 0 40 FDAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2nccs2)cc1 32936073 RHLDPUQKFAMKKN-UHFFFAOYSA-N 369.468 1.527 0 40 FDAB O=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)NC1CCCC1 22821478 WPSJONKEDBBINX-UHFFFAOYSA-N 374.485 1.451 0 40 FDAB Cc1ccc(Cn2c(SC[C@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 850089 XDUOUNVZBMSINZ-NSHDSACASA-N 360.439 1.253 0 40 FDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)N(C)c1ccccc12 989173 WBDNPGWFISZCIC-IBGZPJMESA-N 372.377 1.111 0 40 FDAB Cc1cc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)[nH]c2cc1C 969211 YRCCLHHHEDLOBE-UHFFFAOYSA-N 370.438 1.615 0 40 FDAB C[C@@H]1CCCN(C(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)C1 1344617 OSKWRPQGMDJQOX-GFCCVEGCSA-N 370.388 1.375 0 40 FDAB COc1ccccc1-c1n[nH]c(NC(=O)CNc2nc(C)cc(C)n2)n1 79498789 WZTUOUXYRHMUDF-UHFFFAOYSA-N 353.386 1.938 0 40 FDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cnn1C 2732687 RUWQLRCDOXIPAK-CQSZACIVSA-N 368.503 1.578 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4545575 KTPAOCHQVWUUSJ-JRRBAZMTSA-N 373.380 1.971 0 40 FDAB Cn1cc(CN2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cn1 107253158 NGILOTBBQSDZOT-UHFFFAOYSA-N 369.425 1.099 0 40 FDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57486032 WSIBSWKUSFPPQG-LBPRGKRZSA-N 365.455 1.176 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)C3=NN(C(C)C)C(=O)CC3)CC2)cc1 72271678 MAESTWVMZYHVPV-UHFFFAOYSA-N 370.453 1.925 0 40 FDAB NC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 58166146 VNTAFYANWFWSBJ-UHFFFAOYSA-N 354.248 1.011 0 40 FDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1 9939408 UDJNBYJQOKNFLY-NEPJUHHUSA-N 374.821 1.971 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C=C/c2ccc(C)o2)C1 58419938 HLKRTWYJHLITIR-FEAKQIBJSA-N 362.426 1.861 0 40 FDAB CCNC(=O)C1(NS(=O)(=O)c2ccc(C(=O)NC)cc2)CCCCC1 56094964 FADNFRVUJGHMNX-UHFFFAOYSA-N 367.471 1.164 0 40 FDAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nn2cc[nH]c12 84795689 MCRKINHQTFJLGJ-LBPRGKRZSA-N 368.349 1.559 0 40 FDAB CCNC(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 46250869 LKXHRJRZSOGOHM-UHFFFAOYSA-N 364.405 1.864 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccccc2O)s1 29775122 ILPCDCRNUHPSDE-UHFFFAOYSA-N 368.480 1.953 0 40 FDAB COc1ccc(CN(C)C(=O)c2ccccc2-n2cnnn2)c(OC)c1 60387305 FNHGGUUBSKUBPV-UHFFFAOYSA-N 353.382 1.952 0 40 FDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2cccnc2)cc1 28209451 IGCXXNXNWYDTQM-INIZCTEOSA-N 373.434 1.386 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1CN1CCOCC1 48149741 SMKFIQXYRWWTPJ-OAHLLOKOSA-N 371.437 1.547 0 40 FDAB COC(=O)C1CCN(C(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)CC1 48253495 KQYVGDUYDZEZEI-ONEGZZNKSA-N 361.394 1.891 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)s1 48366310 ZZQCSZZNDTWVLL-CYBMUJFWSA-N 359.455 1.362 0 40 FDAB CCN(CC(=O)NCCCCOC)S(=O)(=O)c1cccnc1Cl 95402765 IQGJHZUNMZVEDZ-UHFFFAOYSA-N 363.867 1.288 0 40 FDAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(=O)O 12941206 HWUJZSZIGCXQQE-IAQYHMDHSA-N 368.455 1.628 0 40 FDAB CC(C)OCCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 4045834 UYNMNIDJBGHXSF-YJBOKZPZSA-N 360.410 1.778 0 40 FDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1 13682195 UKTNKRDDRFAKJV-AWEZNQCLSA-N 367.471 1.570 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 5054099 OUSSJXBSQFYHGD-GXSJLCMTSA-N 350.718 1.114 0 40 FDAB COc1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCO)cc1 13721049 AYZGIGRCSQRVQE-AEFFLSMTSA-N 363.435 1.337 0 40 FDAB Cn1cnc2c1c(=O)n(C[C@H]1CC(c3ccccc3Cl)=NO1)c(=O)n2C 5206679 UGHQBFPUKUXNTO-SNVBAGLBSA-N 373.800 1.280 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 4495959 ZCXWINRVCOIYMU-ZDUSSCGKSA-N 353.378 1.623 0 40 FDAB CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OC 4488493 QMRGQRRXAAYEAF-UHFFFAOYSA-N 369.809 1.232 0 40 FDAB CN1C(=O)C(=C2C[C@H](c3cccc4ccccc34)NN2)C(=O)N(C)C1=O 5345884 MHWIHFZWGUBJEN-CQSZACIVSA-N 350.378 1.683 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)c2c(O)c3ccccc3oc2=O)cc1 6404581 NYAIMTPQKHAJGZ-UHFFFAOYSA-N 359.359 1.926 0 40 FDAB CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1I 4679623 LDTIWNMOAKSUNM-RMKNXTFCSA-N 358.135 1.870 0 40 FDAB Cc1nn2c(nc(N(C)[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c1C=O 5523609 RRVYHIYOBKUDIF-GFCCVEGCSA-N 358.423 1.627 0 40 FDAB Nc1cc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)ccc1Cl 9337652 QMUVTGKUNUBLRL-UHFFFAOYSA-N 353.684 1.467 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 14915481 QZTJICFPDRZOHI-RYUDHWBXSA-N 360.414 1.458 0 40 FDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797207 BMWIDRJKDNXXSH-KBPBESRZSA-N 365.904 1.669 0 40 FDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 6880431 DCTHVSVOEJWNCF-UHFFFAOYSA-N 357.395 1.459 0 40 FDAB COc1cccc(CNC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 7675958 IURFIBGNTYHLTL-UHFFFAOYSA-N 367.361 1.405 0 40 FDAB Cc1cc(=O)n2nc(CN(C)CC(=O)Nc3cccc(F)c3)sc2n1 7731801 QWWIKOBPOPMLKB-UHFFFAOYSA-N 361.402 1.669 0 40 FDAB Cc1ccc2cc(C(=O)N3CCS(=O)(=O)c4c3c(C)nn4C)[nH]c2c1 72306413 YSJYQQBBUJHQAE-UHFFFAOYSA-N 358.423 1.952 0 40 FDAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NCc1ccco1 68627444 ZFKPHLADHODPAX-AWEZNQCLSA-N 357.414 1.211 0 40 FDAB O=C(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)NCc1ccco1 7954335 KKTRHIQOSWFGBG-UHFFFAOYSA-N 355.394 1.382 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2 97206337 PTRUUGWCBNUXIX-UHFFFAOYSA-N 350.465 1.945 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCCc1ccc(F)cc1 8503922 SAVTUXAGTSAYCS-JTQLQIEISA-N 350.419 1.885 0 40 FDAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2nnnn2-c2ccccc2)no1 71801218 QQOGBDWVUXMHKH-FTJNGKRUSA-N 360.399 1.235 0 40 FDAB COC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1 2356096838 BABYCKOUDLVREW-UHFFFAOYSA-N 359.292 1.979 0 40 FDAB O=C(CN1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1)NC1CC1 20952350 BILOSQRWISTPLY-UHFFFAOYSA-N 365.861 1.507 0 40 FDAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(C)=O)C[C@H]2C3)cc1 306143458 YCSXIRQREOHZDP-OLZOCXBDSA-N 355.398 1.190 0 40 FDAB COCc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)o1 502158380 HRYSOLJKHWEDLD-CXAGYDPISA-N 358.398 1.394 0 40 FDAB Nc1ccc2c(N3CCC[C@@H](CNC(=O)c4ccco4)C3)ncnc2n1 509477545 HICWTIYJDWOXKL-LBPRGKRZSA-N 352.398 1.846 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218318716 HLRIKZJEWREQMT-STQMWFEESA-N 374.842 1.963 0 40 FDAB CCCCc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1 32647414 FPPLHNSDBPQOIJ-UHFFFAOYSA-N 354.414 1.815 0 40 FDAB COCCNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327602 ULQBLMHTGQLKTB-VBKZILBWSA-N 374.437 1.554 0 40 FDAB CC(C)NC(=O)CN(C)Cc1nc([C@@H](C)CNC(=O)c2ccccc2)no1 558332872 KGMMZEHHKLVJNQ-AWEZNQCLSA-N 373.457 1.560 0 40 FDAB CCn1cc(S(=O)(=O)NC2(CN3CCOCC3)CCCCC2)c(C)n1 36741451 XOMXKPUOQHYOJD-UHFFFAOYSA-N 370.519 1.525 0 40 FDAB COc1ccc(CCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182651 YJXXRVRWSFDWAO-UHFFFAOYSA-N 356.429 1.026 0 40 FDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(Cl)cc1 75162125 CYHJQPXCBYZJEM-UHFFFAOYSA-N 354.819 1.767 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCO1)c1cn(C)c2ccccc12 75149258 LNMSYQOHPFWUHF-RDTXWAMCSA-N 372.469 1.192 0 40 FDAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)c1 40070195 NASRVDXJTIFDAR-UHFFFAOYSA-N 350.382 1.648 0 40 FDAB CCCn1c(=O)sc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 225723322 BMHCJQQOBRPMGY-LLVKDONJSA-N 356.469 1.930 0 40 FDAB COc1ccc(N[C@H](C)C(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)cc1 140457729 DDKQILJENFJTMZ-JPQYHBGPSA-N 358.354 1.300 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc(C)c4nccn4c3)ccc21 502870950 IYJFWFHPEZJFAK-UHFFFAOYSA-N 363.377 1.918 0 40 FDAB C[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 245237815 XOANZKPCNNJQJO-MDZLAQPJSA-N 360.426 1.649 0 40 FDAB O=C(NCc1ncnn1-c1ccccc1)c1ccnc(NC(=O)C2CC2)c1 585082025 RLMJHPIJJXHEEP-UHFFFAOYSA-N 362.393 1.941 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 257235376 GXOSBXCYVFBXGA-ZDUSSCGKSA-N 359.451 1.861 0 40 FDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257212841 CFEARSCCUYDMBH-ZDUSSCGKSA-N 350.448 1.129 0 40 FDAB CCc1ncc(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)s1 65041844 LYGFECOPJBIUGH-UHFFFAOYSA-N 354.409 1.611 0 40 FDAB C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc(C(F)(F)F)n[nH]1 1304132574 TZVXHNZKFATUHU-ZETCQYMHSA-N 352.280 1.290 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccc3nn[nH]c3c2)C1 1775957411 SURASUBUJSUETO-DZGCQCFKSA-N 353.382 1.661 0 40 FDAB COc1ccc2occ([C@H](CC(=O)O)c3n(O)c(C)c(C)[n+]3C)c(=O)c2c1 604403982 HDKAYZHGAULWOB-ZDUSSCGKSA-O 373.385 1.888 0 40 FDAB biogenic O=C(O)c1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)C2 621554777 ZNNHUHWJCJKPTO-INIZCTEOSA-N 365.389 1.671 0 40 FDAB COc1cc(CS(=O)(=O)N2CCO[C@H](c3cccc(O)c3)C2)sn1 641384133 FHNHVNANKMPTJV-AWEZNQCLSA-N 370.452 1.761 0 40 FDAB Cc1nn(C)cc1C(=O)N1CCC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 1615611964 RXGCEFZDRXOUFU-AWEZNQCLSA-N 358.446 1.147 0 40 FDAB Cc1ccccc1[C@]1(C)NC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 678062659 ARTFXCNGLIZMIG-INIZCTEOSA-N 350.440 1.587 0 40 FDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CCO2)C1 575402518 BIUREGNDKQPOIZ-MRXNPFEDSA-N 354.472 1.880 0 40 FDAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccccc2)C1 575420632 DABGGBWUPPIGKD-ZDUSSCGKSA-N 355.437 1.658 0 40 FDAB Cc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)cc1 585285641 RKGZGICJGXYWGA-PZJWPPBQSA-N 354.450 1.723 0 40 FDAB CO[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Cc1ccccc1F 585275592 DMSOSYXLLLINER-RHSMWYFYSA-N 359.401 1.639 0 40 FDAB CC(C)CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O 585286626 NRCHTUOAJNGEEO-ZACQAIPSSA-N 359.426 1.296 0 40 FDAB Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN2CCOCC2)C[C@@H]1O 585290493 DWIHOKGLUJQDIS-FOPBSNOLSA-N 358.482 1.635 0 40 FDAB C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(F)cc1 35286945 LMUXEBDMKQPHPU-RHSMWYFYSA-N 363.433 1.326 0 40 FDAB O=C1NC(=O)[C@]2(CCC[C@@H]2CNC(=O)c2ncsc2C(F)(F)F)N1 684287479 XGFKWIXABATQSP-SREIQFSDSA-N 362.333 1.270 0 40 FDAB COCCNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 5060329 JYBKZLQGRZFEGI-UHFFFAOYSA-N 360.435 1.933 0 40 FDAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cn(C)nc4C)nc32)cc1 12114187 AJTUKFNOHPKIGW-UHFFFAOYSA-N 363.381 1.225 0 40 FDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)nc12 12145077 JPKHVWPDHSVFAD-ZIAGYGMSSA-N 355.442 1.975 0 40 FDAB COC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3C)cc1 13531841 XHFKUOWEIZUJHW-UHFFFAOYSA-N 358.383 1.276 0 40 FDAB CCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC[C@@H]2CCCO2)c1 19746340 AVNOKGKHKXUXKE-ZDUSSCGKSA-N 361.402 1.289 0 40 FDAB COC1(OC)[C@@]2(Cl)[C@H]3C(=O)[C@H]4[C@H]5C(=O)[C@@H]3[C@]1(Cl)[C@@]5(Cl)[C@@]42Cl 169795877 IXQXXDRHGCNCJI-SQZZOFAASA-N 372.031 1.557 0 40 FDAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1 800786 VFQXQOXQKGUNDR-UHFFFAOYSA-N 359.451 1.799 0 40 FDAB CCN(CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 15339655 OCWJHNRPWHKODM-UHFFFAOYSA-N 361.895 1.419 0 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COc1ccc(N2C[C@@H](C(=O)Nc3cscc3C(N)=O)CC2=O)cc1 618257042 PVJZBDLUISRPAI-JTQLQIEISA-N 359.407 1.847 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)NCc1ccco1 30197119 HLIAWDZAXONXAL-UHFFFAOYSA-N 359.401 1.422 0 40 FDAB CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 40062260 UTWFUWNIFCOCNM-ZFWWWQNUSA-N 364.467 1.702 0 40 FDAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)s1 40151160 KVIQVJOTDFKYPE-UHFFFAOYSA-N 360.443 1.447 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCO1 50843362 XLQGGOFONJUGHD-IBGZPJMESA-N 365.433 1.576 0 40 FDAB CC[C@H](C)N1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773706 YHUCJTRWLMAQNV-TUKIKUTGSA-N 356.875 1.953 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102080954 BTCTVOVUCWBAAI-GASCZTMLSA-N 357.362 1.372 0 40 FDAB COC(=O)c1cc(COC(=O)CNC(=O)COc2ccccc2)oc1C 32636245 LTUNAOHAPSBKPI-UHFFFAOYSA-N 361.350 1.613 0 40 FDAB NC(=O)NCCCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 32678536 OFNIRQIQCCMSQQ-UHFFFAOYSA-N 368.865 1.312 0 40 FDAB 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363.373 1.556 0 40 FDAB CC(C)CN(Cn1nc2ccccn2c1=S)[C@@H]1CCS(=O)(=O)C1 14135093 STVPQGKIOFAHJI-CYBMUJFWSA-N 354.501 1.968 0 40 FDAB Cn1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c1=O 19706998 HKOPEGBXRRLYCM-UHFFFAOYSA-N 357.439 1.654 0 40 FDAB COc1cccc(NC(=O)c2nnn3c2[nH]c(=O)c2cc(F)ccc23)c1 20727341 QHUFUVIZYQXIPV-UHFFFAOYSA-N 353.313 1.971 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCC(F)(F)F)CC2=O)cc1 7429449 USKVRJKKPGHAPF-NSHDSACASA-N 358.316 1.570 0 40 FDAB CNS(=O)(=O)CC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 83614277 CTTJKQZXQYQEND-LBPRGKRZSA-N 359.879 1.094 0 40 FDAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CCOCC1 16642816 VFHRJZCQUMYLNZ-UHFFFAOYSA-N 367.199 1.294 0 40 FDAB COc1ccc(NC(=O)c2ccc(CN3C(=O)C(=O)N(C)C3=O)cc2)cc1 8726822 FJOLWWDOIUPBGN-UHFFFAOYSA-N 367.361 1.868 0 40 FDAB COc1ccccc1N(CCC(N)=O)C(=O)[C@@H]1COc2ccccc2O1 8755917 QBQULMHXHJATRL-KRWDZBQOSA-N 356.378 1.744 0 40 FDAB O=S(=O)(c1ccc(Sc2nc3ncccn3n2)nc1)N1CCCC1 8705102 RPTKLQLFZBKVCT-UHFFFAOYSA-N 362.440 1.455 0 40 FDAB 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O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)c1ccco1)C2)C1CCC1 306125521 CTFQKGMBBYTRCO-BEFAXECRSA-N 369.425 1.765 0 40 FDAB CCOC(=O)/C=C/c1ccc(NC(=O)CCn2[nH]c(=O)ccc2=O)cc1 14114009 BYMQUFSMXAXUBH-BJMVGYQFSA-N 357.366 1.142 0 40 FDAB C[C@H]1CN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCO1 14161892 BWTDXGDGILKMJM-UHSVVUDUSA-N 361.442 1.424 0 40 FDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 4815902 XFHBHGXCXKTUOF-SECBINFHSA-N 350.375 1.815 0 40 FDAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 5981191 JJLSBAZKKWMKIC-NSHDSACASA-N 365.329 1.166 0 40 FDAB NC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc2c1CCC2 7454816 SGHBVIWUUGWHMR-UHFFFAOYSA-N 368.422 1.628 0 40 FDAB Cc1ccccc1CC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 7863025 MOGLKNHLUXMAAG-UHFFFAOYSA-N 362.407 1.367 0 40 FDAB Cn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1C1CC1 8036621 QLMPMZCCPOUENI-GFCCVEGCSA-N 360.439 1.741 0 40 FDAB CNC(=O)CNC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 8362264 RPGUYPDRECCNEO-UHFFFAOYSA-N 365.484 1.853 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2nsnc12 19079771 OUDQHXXUBZORJW-CYBMUJFWSA-N 374.447 1.292 0 40 FDAB COc1cc(C(=O)N(C)C[C@H](C)C(=O)O)c([N+](=O)[O-])c(OC)c1OC 95956968 RJVMJLPWBCCYKL-QMMMGPOBSA-N 356.331 1.413 0 40 FDAB Cc1ccccc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O 113967833 VLWPOTXRSJXJAD-UHFFFAOYSA-N 367.515 1.752 0 40 FDAB Cc1cc(F)c(CC(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)cc1F 1551460430 OGVFJYDPBQFKFL-IUODEOHRSA-N 350.369 1.965 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)c2n[nH]cc2Br)CC1 32611006 ZAJLEGGXBUFORF-UHFFFAOYSA-N 353.176 1.363 0 40 FDAB CN1CC[C@H](N2CCC(NC(=O)c3cnc4c(F)cccc4c3)CC2)C1=O 518760853 LDDHZTCGVRYKDO-KRWDZBQOSA-N 370.428 1.799 0 40 FDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c1C 524733233 IOYCZSZXGVYNQE-UHFFFAOYSA-N 370.394 1.924 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O 71287954 UPYSBGLRICVFOB-ZIAGYGMSSA-N 366.439 1.694 0 40 FDAB NS(=O)(=O)c1ccc(OCCOc2ccc(-c3nnco3)cc2)cc1 31705414 OTWGFPGOODSNIS-UHFFFAOYSA-N 361.379 1.842 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 563702440 IXRLLJCFQKIERH-LLVKDONJSA-N 372.351 1.404 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)CSCc3ccccc3)cc2)c1=O 75163097 BVGKCDZTEVUOOL-UHFFFAOYSA-N 355.423 1.838 0 40 FDAB CNC(=S)NC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 225228936 USSRHAYNUMXDNM-UHFFFAOYSA-N 353.488 1.771 0 40 FDAB O=C(Nc1ccncc1)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 41070563 YZVQZEHXHDHQIA-UHFFFAOYSA-N 369.406 1.386 0 40 FDAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)C4CC4)CC3)cs2)CC1 225472823 VXGYTYLOYQBXJE-UHFFFAOYSA-N 364.515 1.111 0 40 FDAB biogenic,in-vitro CCc1nn2c(nnc3c(=O)n(C(N)=S)ccc32)c1-c1ccccc1 40390805 VKKUMOUSVHQBPV-UHFFFAOYSA-N 350.407 1.760 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107569 AWPFIDFJNPLOCO-UGSOOPFHSA-N 358.373 1.853 0 40 FDAB Cc1cc(C(=O)N2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)[nH]n1 96074947 MNCGRWHVGCASHU-IBGZPJMESA-N 355.442 1.620 0 40 FDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1ccccn1 247888807 XXNAWIDTHCFDAO-IBGZPJMESA-N 369.469 1.768 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccc(C)nc2)C1 257294976 QWMNKBZVXRMVOR-FQEVSTJZSA-N 354.454 1.884 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc(N4CCCC4)nc(O)c3C2)CC1 257230618 GDBVJDIXEXIEIS-HDJSIYSDSA-N 360.458 1.872 0 40 FDAB Cc1ncc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)n1C 257249626 JJCSOGCAIVOXHO-UHFFFAOYSA-N 364.475 1.171 0 40 FDAB Cc1cccnc1C(=O)N[C@@H]1CC[C@H]2Oc3ccccc3N(C)[C@H]2[C@@H]1O 257218346 DCUKMCXEAMHQGI-ZQNRLITLSA-N 353.422 1.909 0 40 FDAB COCCN1C(=O)C[C@H](CNC(=O)c2coc(C)c2)[C@H]1c1cnn(C)c1 616777824 UMKYRDXFDLDLDV-DYVFJYSZSA-N 360.414 1.288 0 40 FDAB COc1cccc2c(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)c(C)cnc12 624423768 SZWUBACQORPVBQ-NVXWUHKLSA-N 354.410 1.914 0 40 FDAB Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)o1 1775991611 LEOBZNAIATZWSN-FVQBIDKESA-N 372.425 1.380 0 40 FDAB Cc1nn(C)c(C)c1CN1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O 585182032 LYVKILJQXZDXHL-AWEZNQCLSA-N 351.476 1.891 0 40 FDAB Cc1noc(C)c1C(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1 585110983 OFZPLSPICQTJHZ-UHFFFAOYSA-N 356.426 1.931 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 585102801 IEPPEHQJDJQXLM-FXAWDEMLSA-N 357.454 1.502 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)C3CC(F)C3)CC2)CN1S(C)(=O)=O 585103783 QCQVGSHRKAIVOB-JXQTWKCFSA-N 362.467 1.024 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCc3nc(C)no3)CCO2)cc1 585277301 HQDFYPUILSFOMF-LJQANCHMSA-N 359.426 1.452 0 40 FDAB O=C(Cn1ccccc1=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108780 CQVANSQVIADGNB-ZWOKBUDYSA-N 369.421 1.219 0 40 FDAB C[C@H]1CCCN(C(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 49389724 KREQJMMYRWUIFG-AWEZNQCLSA-N 359.426 1.958 0 40 FDAB CCc1n[nH]c(=O)c(CNC(=O)NCc2ccc3c(c2)OCO3)c1CC 83817648 INILOSUWXMKFPP-UHFFFAOYSA-N 358.398 1.623 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1C 5613722 OIVKMVVUZZTGTJ-SNVBAGLBSA-N 366.801 1.944 0 40 FDAB COCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C1CC1)C(=O)CC2 19698478 KDXSKIUXAFMVKS-OAHLLOKOSA-N 358.442 1.927 0 40 FDAB CC(=O)N[C@@]12CCN(Cc3cccc4cccnc34)C[C@@H]1CN(C(C)=O)C2 19713093 FZBUBLSRRACASN-TZIWHRDSSA-N 366.465 1.794 0 40 FDAB COCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc2nsnc2c1 19748933 UIOAJRJIPYBCKX-CYBMUJFWSA-N 362.455 1.839 0 40 FDAB O=C1CC(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)=CC=N1 2056224659 OSBIDFRGCSHCIW-HDICACEKSA-N 352.438 1.680 0 40 FDAB Cc1cccc(NC(=O)CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1 2087068925 LFSFOMFQCUOUER-UHFFFAOYSA-N 365.499 1.822 0 40 FDAB CC1CC(C(=O)N2CCC3(CC2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)C1 1565545745 NMSKBHNWPHXOHU-NRXISQOPSA-N 370.515 1.655 0 40 FDAB O=C(c1ccoc1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055704346 RMCLLMYWRVZXOA-UHFFFAOYSA-N 370.331 1.786 0 40 FDAB Cn1cccc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1=O 207996733 IKBGIGBWXMVSOZ-AWEZNQCLSA-N 366.377 1.674 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC2CCN([C@H]3CCSC3)CC2)no1 225574628 RSYZETKVBXFVRS-ZDUSSCGKSA-N 352.460 1.255 0 40 FDAB Cn1cc(-c2ncccc2CNS(=O)(=O)c2ccc3c(c2)CCO3)cn1 575618935 ROHHYSNYXVVHNF-UHFFFAOYSA-N 370.434 1.896 0 40 FDAB Cc1nc(NCc2nnc3ccc(N4CCCC4)nn23)c2cnn(C)c2n1 575617198 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MGYGUSCMCRYNGX-AWEZNQCLSA-N 359.430 1.756 0 40 FDAB COc1cccc(N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)c1 34886283 MCTKWMZAHUMJQR-UHFFFAOYSA-N 374.485 1.976 0 40 FDAB COCCN(CCOC)C[C@H](O)COCc1ccc(OC)c(OC)c1 6936812 MMNFODSDYVALMN-INIZCTEOSA-N 357.447 1.176 0 40 FDAB COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCNC(=O)C1 56114255 GABHIQDLSBIUJL-UHFFFAOYSA-N 374.418 1.931 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N[C@@H]1CCOc2ccccc21 35335089 XMODVDMIOIBTJD-QZTJIDSGSA-N 365.433 1.539 0 40 FDAB O=C(O)CCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101899546 GIJSWFPTKPCZDF-OKILXGFUSA-N 357.410 1.794 0 40 FDAB O=C(NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1cnccn1 75092682 SGDPVXUHRPSOQM-LBPRGKRZSA-N 355.316 1.956 0 40 FDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc2c(c1)OCO2 27385732 AMRIOOHOUXIFRS-NSHDSACASA-N 362.407 1.896 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cnccn2)CC1 10027699 LGDLXDHTURQUBR-UHFFFAOYSA-N 354.366 1.696 0 40 FDAB CCNc1nc(SCC(N)=O)nc(Sc2ccc(OCC)nn2)n1 27532577 ZJPXRGIZFPKDJD-UHFFFAOYSA-N 367.460 1.221 0 40 FDAB COCCOC(=O)c1c(C)[nH]c(C(=O)NCCc2nc(C)no2)c1C 58115738 AOBFJTIIYSSVDE-UHFFFAOYSA-N 350.375 1.099 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 36122887 ZFNIBTVLGSFRQI-UHFFFAOYSA-N 373.478 1.940 0 40 FDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1nccs1 9708795 GJQZGYXSQOMFRS-UHFFFAOYSA-N 354.438 1.985 0 40 FDAB COCCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 105041353 AXGPBFGIJPOVRJ-UHFFFAOYSA-N 354.472 1.428 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 55345098 OSZIMZHGKNWYFU-WMLDXEAASA-N 371.437 1.855 0 40 FDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 57426469 IECHUWFNCYNATH-UHFFFAOYSA-N 357.391 1.603 0 40 FDAB O=C1O[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)Cc2ccccc21 89857926 TURPRORZLUWYFQ-LBPRGKRZSA-N 363.167 1.858 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc12 102830727 XOYRNOMGKPDZOH-BNOWGMLFSA-N 367.409 1.555 0 40 FDAB O=C1CN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CCN1 12741399 PWUXVSWLTHZSMT-KRWDZBQOSA-N 350.374 1.713 0 40 FDAB CC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2cc(C)ccc2C)CC1 12781082 LCJBEDCKJCVPBC-UHFFFAOYSA-N 369.469 1.900 0 40 FDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20634650 RLHXLAPRBKCXQI-XHDPSFHLSA-N 366.364 1.872 0 40 FDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 4178277 ZHMOMHUTTHUUCX-LLVKDONJSA-N 350.176 1.898 0 40 FDAB COc1ccnc(N2CCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)n1 14017641 NWRDCBSFGMUQFX-UHFFFAOYSA-N 352.398 1.044 0 40 FDAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)CO)cc1 5346207 INCJVHIXRLNNSG-UHFFFAOYSA-N 357.410 1.442 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 4694584 AQHVKDDMBYELBG-UHFFFAOYSA-N 365.407 1.596 0 40 FDAB O=C(NCCCN1CCCC1=O)c1[nH]nnc1Nc1cccc(Cl)c1 67284136 SGBPRYBKNCBMCZ-UHFFFAOYSA-N 362.821 1.944 0 40 FDAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ncnc2nc[nH]c12 9513401 KMCFHQSKNWUQCP-ZCFIWIBFSA-N 362.444 1.898 0 40 FDAB CCN(CCO)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 98075467 BNQVCNODUMKNAT-UHFFFAOYSA-N 354.472 1.624 0 40 FDAB O=C(CCCCCCCCCCOCCO)NCCN1CCNCC1 19949791 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COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409134600 SKFSIAVZGWDHNN-IZZDOVSWSA-N 351.336 1.359 0 40 FDAB CCOC(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 56949892 NHTRCBXUXTYNTB-UHFFFAOYSA-N 372.421 1.904 0 40 FDAB O=C(Cn1cnnn1)Nc1ccnn1Cc1ccc(Br)cc1 32744758 QOBBCVICPZZFDP-UHFFFAOYSA-N 362.191 1.319 0 40 FDAB C[C@H]1C[C@@H](C)CN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]12 36056340 JSTMVLHPSFGDCC-AZTIJKHXSA-N 359.401 1.927 0 40 FDAB CN(CCN1CCN(c2ccccc2)CC1)C(=O)/C=C/c1ccncn1 1565973453 UYPDYVYKLYFYDO-BQYQJAHWSA-N 351.454 1.770 0 40 FDAB NS(=O)(=O)c1cccc(CNC(=O)NCCc2ccc(F)cc2)c1 32916634 IUBRZIJSTHADJS-UHFFFAOYSA-N 351.403 1.515 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 41249005 COBFBORDFWJGIB-INIZCTEOSA-N 373.478 1.702 0 40 FDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225406077 KFKIADGOPSNGCG-AWEZNQCLSA-N 358.446 1.495 0 40 FDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CCn2cccn2)CC1 64138515 QJPSDTBSMPXMMI-UHFFFAOYSA-N 372.853 1.682 0 40 FDAB 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354.765 1.959 0 40 FDAB CCCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943644 WHCWBRIKNZETCG-UHFFFAOYSA-N 356.444 1.878 0 40 FDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 95424423 SZBFGYAIZRALJC-YQQAZPJKSA-N 352.394 1.817 0 40 FDAB CC(C)NC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11371020 JXYJWKYXGFEPGW-UHFFFAOYSA-N 366.491 1.930 0 40 FDAB Cn1c(=O)c(C(=O)CN2CCCCCC2)c(N)n(Cc2ccccc2)c1=O 2638458 HNCYBMPEXQCOGW-UHFFFAOYSA-N 370.453 1.236 0 40 FDAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420268 YEZNKYFKDZHBMC-YGTYGHESSA-N 360.410 1.370 0 40 FDAB CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCC(C)C)n1 2804610 UPZLLTOHLTYRCE-UHFFFAOYSA-N 368.463 1.132 0 40 FDAB O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NC1CC1 3394140 CRLZXMYURUVPMA-UHFFFAOYSA-N 374.418 1.923 0 40 FDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)N2CCOCC2)CC1 24251477 VUVJQRCPMXISFX-INIZCTEOSA-N 372.469 1.034 0 40 FDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3430127 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RMFKLMSWKNFYFX-GUYCJALGSA-N 366.483 1.717 0 40 FDAB O=S(=O)(NC[C@H]1CC2(CCN(CC3CCOCC3)CC2)O1)C1CC1 306131457 KFCLDSFMBVKBGJ-OAHLLOKOSA-N 358.504 1.118 0 40 FDAB Cc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)cc1S(C)(=O)=O 532004935 TZJMYUYAVUGIIX-UHFFFAOYSA-N 355.412 1.104 0 40 FDAB C[C@@H](C(=O)O)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326481 ZLVHYSNXCHQSOG-FVMDXXJSSA-N 351.790 1.677 0 40 FDAB CCN(CC1CC1)S(=O)(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 184019221 OWSIBJPPZZYFRM-AWEZNQCLSA-N 372.512 1.998 0 40 FDAB CSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 223776895 VPQHTKZTFCSVIZ-UHFFFAOYSA-N 372.497 1.828 0 40 FDAB CN1C(=O)C[C@@H](CNCc2cccc3c2OCCO3)[C@@H]1c1nccn1C 570913661 MXHFPKYGCNLYRR-WMLDXEAASA-N 356.426 1.501 0 40 FDAB O=C(CCc1nc(-c2cccs2)no1)N1CC(=O)N(CC(F)(F)F)C1 571829969 OEEGNLWVDRNWIA-UHFFFAOYSA-N 374.344 1.921 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCn1nc(-c2ccco2)ccc1=O 42379632 DHSNRMNDLBFQLI-UHFFFAOYSA-N 364.383 1.087 0 40 FDAB CC(=O)c1c[nH]c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 40039157 PCIPFJQYIJUCGP-QGZVFWFLSA-N 354.410 1.202 0 40 FDAB O=C(CCN1C(=O)c2ccncc2C1=O)NCCc1c[nH]c2ccccc12 85877821 YMVCZGFZWBPOMV-UHFFFAOYSA-N 362.389 1.908 0 40 FDAB biogenic CCOc1cc([C@H](N)c2n[nH]c(CCN3CCOCC3)n2)ccc1OC 95534412 NQWPZHMNXGCNIA-KRWDZBQOSA-N 361.446 1.135 0 40 FDAB CN1CCC[C@@H](CNC(=O)c2cccc3nccn23)[C@@H]1c1cncn1C 583621150 FJTWCRWTZVHMLD-KBXCAEBGSA-N 352.442 1.881 0 40 FDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccn3)nc21)C1CCOCC1 96044469 BHBPPHYBWCHZPY-QGZVFWFLSA-N 356.426 1.483 0 40 FDAB CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C 96112996 NQZCZYREJXQXMT-DLBZAZTESA-N 352.523 1.166 0 40 FDAB biogenic,in-vitro O=C(c1cccs1)N1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240960 FIBCIPXRGIQYJR-AWEZNQCLSA-N 364.467 1.476 0 40 FDAB CN1CCN(c2cc(CNC(=O)c3cccc(C(=O)O)c3)ccn2)CC1 582785188 YBOTXAUMLOUBDO-UHFFFAOYSA-N 354.410 1.462 0 40 FDAB O=C(C1CC(F)(F)C1)N1CC[C@]2(CCC[C@@H](CN3CCOCC3)O2)C1 96208520 RGCBBHLYXSJVIB-DOTOQJQBSA-N 358.429 1.904 0 40 FDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@@]2(CC(=O)N(C)C2)C1 96143393 FTEQBQPFOATYHQ-GOSISDBHSA-N 363.845 1.493 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257288894 PWCIWXGIAQQTNC-ROUUACIJSA-N 358.442 1.405 0 40 FDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1CC(=O)N1CCCCC1 257296527 RDEYRCDESZXJEP-QGZVFWFLSA-N 359.474 1.571 0 40 FDAB O=C(N[C@@H]1CN(CC2=Cc3ccccc3OC2)C[C@H]1O)c1cscn1 257332156 XVYUVNTYVRIJJW-GDBMZVCRSA-N 357.435 1.394 0 40 FDAB Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(C(=O)CN)C1 257223255 DWOGAOPXKIXJFB-ZDUSSCGKSA-N 358.446 1.479 0 40 FDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 257318169 VMTLBVPFJAQESN-YOEHRIQHSA-N 365.430 1.990 0 40 FDAB Cc1ccc2c(c1)CN(C(=O)[C@H](C)n1cnc3c(N)ncnc31)CCO2 614731146 YPXPVIGRBOMFOZ-LBPRGKRZSA-N 352.398 1.699 0 40 FDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643670900 QNBKMEFQVUPADZ-CYBMUJFWSA-N 350.448 1.110 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(Cn3ccnc3)c2)C1 644035129 HHNDTNZFJUPJAT-LJQANCHMSA-N 356.426 1.035 0 40 FDAB Cc1cc(Br)cc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c1 644002432 MRQYIDHHBLQVJR-OAHLLOKOSA-N 355.232 1.600 0 40 FDAB C[C@H]1CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@@H](C)[C@@H]1O 661626669 KZCHHBJIBRICLR-QWHZDKJVSA-N 365.905 1.937 0 40 FDAB COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2c(C)cnn2C)cc1 671644577 PYUVQEMKWUCYEI-CYBMUJFWSA-N 353.400 1.231 0 40 FDAB O=C(NCc1nn[nH]n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 599335078 ZTFCJTRTXYGKRV-UHFFFAOYSA-N 352.383 1.439 0 40 FDAB CC(C)[C@H](NC(=O)c1nn(C[C@@H]2CCC[C@H](O)C2)c2ccccc12)C(N)=O 299817175 JPYMZGZGKXHPPL-KEYYUXOJSA-N 372.469 1.827 0 40 FDAB in-vitro O=C(C[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCc1ccco1 585095932 UMQCNOZQLVCXEV-CQSZACIVSA-N 366.381 1.170 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O 585093248 LPZMWHQRWQGWAK-OAHLLOKOSA-N 356.373 1.064 0 40 FDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2cn(C(C)(C)C)nn2)C1 671518789 MRLQVVLKAALBRJ-YPMHNXCESA-N 359.434 1.631 0 40 FDAB Cc1cc(C(F)(F)F)nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)n1 685941215 VDHFGEOINUJBLX-HBNTYKKESA-N 356.352 1.899 0 40 FDAB O=C(O)c1cn(C2CCN(C(=O)c3ccc4c(c3)CCOC4)CC2)nn1 659222426 RMXRZQXHMKZLER-UHFFFAOYSA-N 356.382 1.526 0 40 FDAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 8092045 NXFNDRNORQJAHW-IZZDOVSWSA-N 351.336 1.359 0 40 FDAB CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594963 LHKUNNOCWKJPNE-IIAWOOMASA-N 370.444 1.529 0 40 FDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 5240788 ISYBEIUFENFTPK-CYBMUJFWSA-N 372.377 1.819 0 40 FDAB COCCOc1ccc(C(=O)N2CCC(O)(Cn3ccnc3C)CC2)cc1 12143545 JXTUSNNYNAKJSH-UHFFFAOYSA-N 373.453 1.884 0 40 FDAB C[C@H]1CCCCN1C(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C)CC3 19496307 QIVMNFVIFAKKKZ-AWEZNQCLSA-N 354.454 1.899 0 40 FDAB Cc1nc2nc(-c3ccc(NC(=O)CN4CCCC4=O)cc3)cn2nc1C 19657397 PCFJUHLXNPWGHU-UHFFFAOYSA-N 364.409 1.969 0 40 FDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)C2)n1 225406625 GYHGBWFBQPVAHE-DNVCBOLYSA-N 368.437 1.836 0 40 FDAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccn[nH]2)CC1 12143445 YEZRLJZXXIPMHS-UHFFFAOYSA-N 368.846 1.881 0 40 FDAB NC(=O)Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 666263233 NKPONWILWACGBQ-UHFFFAOYSA-N 357.385 1.942 0 40 FDAB Cc1cnc(-c2cncc(C[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)[nH]1 1848352063 QVYKMYCIQYGKCZ-ZDUSSCGKSA-N 364.475 1.236 0 40 FDAB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)N1CCO[C@H](C)C1 10135150 UOZXCDBLLYMJJQ-OAHLLOKOSA-N 359.470 1.825 0 40 FDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccco1 14171689 DFXIZNGAQYUNDB-UHFFFAOYSA-N 360.395 1.356 0 40 FDAB Cc1cccc(N2CCN(c3ncnc4c3n(C)c(=O)n4C)CC2)c1C 2087043818 JGICHYBNRUNWIG-UHFFFAOYSA-N 352.442 1.610 0 40 FDAB Cn1nc2c(c1CN1CCN(c3cc(N4CCCC4)ncn3)CC1)CCC2 2087128965 OKXZVZKUOKSALP-UHFFFAOYSA-N 367.501 1.621 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@@]1(O)CSCc2ccccc21 2087142518 KMLCWHLQCZBOLT-OAHLLOKOSA-N 354.453 1.704 0 40 FDAB O=C(C1CC(F)(F)C1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565552595 OHYDAXQALBVGMF-HOTGVXAUSA-N 351.397 1.929 0 40 FDAB Cc1ccc(NC(=O)CSc2nc(=O)c3cnn(CCO)c3[nH]2)c(C)c1 15881210 YUIQFSPUEGIRJB-UHFFFAOYSA-N 373.438 1.460 0 40 FDAB CCOC(=O)[C@](NCCc1ccccc1F)(NC(C)=O)C(F)(F)F 19939238 GOMVVNFFLAEYBO-AWEZNQCLSA-N 350.312 1.916 0 40 FDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N(C)c1ccccc1C(=O)O 11635258 IDHOWSUICYSXAB-UHFFFAOYSA-N 361.379 1.688 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 248271478 ZRSUSFADMZKWGR-FOOGJVBNSA-N 355.438 1.842 0 40 FDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 40088270 OPQQVHSCZBZHFJ-CQSZACIVSA-N 362.455 1.486 0 40 FDAB C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 40061069 YJGMIDWNEIUKGJ-CQSZACIVSA-N 357.451 1.081 0 40 FDAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H](CNC(N)=O)C1 40151567 GOPHULANECPPMA-SECBINFHSA-N 355.420 1.150 0 40 FDAB Cn1ncc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C(=O)NCc1ccco1 101592441 LCQUJGWHPFNPDI-STQMWFEESA-N 356.382 1.623 0 40 FDAB CSCC[C@@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)O 41155364 VOTBPEBREHYDRZ-GFCCVEGCSA-N 358.847 1.782 0 40 FDAB O=C(NCCCCc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 32854783 WSRWXVAXELRSRQ-UHFFFAOYSA-N 359.451 1.623 0 40 FDAB Cc1nn(CC(=O)N2CCN(C(=O)CC(C)C)CC2)c(=O)c2ccccc12 32908600 SJQYRSAHJJJINP-UHFFFAOYSA-N 370.453 1.422 0 40 FDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@H](C)C(=O)N1CCNC1=O 22652032 TZUGRVUPCIBQEM-MNOVXSKESA-N 354.790 1.899 0 40 FDAB COc1ccc(C(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 42137776 POBPFVWZKBISFP-UHFFFAOYSA-N 356.165 1.515 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc(Cl)c1 803358 ORFFQLKXWUWSOD-UHFFFAOYSA-N 353.831 1.817 0 40 FDAB CN1C(=O)COc2ccc(NC(=O)CCc3nc4ncccc4[nH]3)cc21 79490207 WRSNTZIWNJQEOQ-UHFFFAOYSA-N 351.366 1.884 0 40 FDAB COc1ccc([C@@H]2C[C@@H](Cn3cc(C(C)=O)c(=O)[nH]c3=O)ON2C)cc1 1398068 PBYNLWQOCIVKCE-HOCLYGCPSA-N 359.382 1.125 0 40 FDAB Cc1ccccc1-n1cnnc1SCC(=O)NC(=O)c1cccn1C 4510146 LTYHCFCSFNOORE-UHFFFAOYSA-N 355.423 1.963 0 40 FDAB COc1cccc(CN(C)C(=O)CCSc2nnnn2C)c1OC 56119415 XRMQLDDOTHLDJC-UHFFFAOYSA-N 351.432 1.368 0 40 FDAB O=S(=O)(c1ccc(Cl)s1)N1CCN(C(=S)NC2CC2)CC1 6333980 OUWORGJBFZLCCU-UHFFFAOYSA-N 365.933 1.745 0 40 FDAB CCCCNC(=S)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 7679212 FBVCZYJHYQWQSO-INIZCTEOSA-N 350.444 1.641 0 40 FDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1F 7975270 KJDWOBINXSBOPU-NSHDSACASA-N 355.329 1.985 0 40 FDAB COCCOC(=O)c1cc(C(F)(F)F)cc(C(=O)OCCOC)n1 43804441 RXAULTRZEBMYSF-UHFFFAOYSA-N 351.277 1.707 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 11591624 AKWDBRIMPCGVAD-BFUOFWGJSA-N 357.410 1.475 0 40 FDAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCN(C)C)C1=O 54360910 VCPADPAWTFIKST-UVTDQMKNSA-N 363.439 1.409 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1 60348837 KQFNMXKHCMNLQB-OAHLLOKOSA-N 354.428 1.561 0 40 FDAB COc1ccc([C@H]2[C@@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)c(OC)c1 100805524 WJPKPUSNXPCASB-ULQDDVLXSA-N 354.362 1.838 0 40 FDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1 12634263 FMIAGNGDAGXPDJ-LJQANCHMSA-N 350.422 1.969 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3C(=O)c2ccco2)n1 100147595 MNDPGJPUOFDYAR-GJZGRUSLSA-N 357.410 1.733 0 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O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2C(=O)CCS2(=O)=O)cc1 19797392 KNLVNKQMSYDTJI-UHFFFAOYSA-N 374.374 1.734 0 40 FDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 7059618 UBGAPLVFUKKENO-UHFFFAOYSA-N 373.356 1.852 0 40 FDAB COC(=O)c1sc2nc(CSc3nnc(C)n3C)[nH]c(=O)c2c1C 9589428 PTQMVBKSONTMOS-UHFFFAOYSA-N 365.440 1.809 0 40 FDAB COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(C)[nH]c1=O 72405580 OTNRUZBCLZSVSD-GFCCVEGCSA-N 354.362 1.925 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(N)(=O)=O 8110993 MCJRWWACMYAJDK-UHFFFAOYSA-N 362.379 1.721 0 40 FDAB Cc1ccc(CCC(=O)NCC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 81706775 HCVITPBFDMISEF-NQIIRXRSSA-N 352.434 1.818 0 40 FDAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 69203364 ZDBLQLSIPPQBIK-BXKDBHETSA-N 366.361 1.225 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1C 9667960 CXDPDKAKIFFBKQ-ZIAGYGMSSA-N 370.471 1.356 0 40 FDAB O=C(Nc1cccc(Cl)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 8770342 IDTBXYNHJHKXCI-GFCCVEGCSA-N 369.830 1.444 0 40 FDAB CC1=NN(C(C)C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 8725051 FCGUYMTZCQGQGH-UHFFFAOYSA-N 366.425 1.549 0 40 FDAB O=C(NCC1(O)CCS(=O)(=O)CC1)c1ccc(-c2ccccc2F)o1 72297775 WTIIOHOPUBOIEK-UHFFFAOYSA-N 367.398 1.755 0 40 FDAB CCOC(=O)c1sc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1C 60388772 RCBRFTJINZVORO-UHFFFAOYSA-N 353.400 1.502 0 40 FDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cc1ccc2c(c1)OCCO2 28970009 ZGMRLXARWXTTKO-UHFFFAOYSA-N 371.418 1.957 0 40 FDAB CC(=O)N1CC[C@@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C1 531609079 YJMPGMRHDXMPLJ-GFCCVEGCSA-N 359.407 1.889 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCCn1cnc(-c2ccccc2)cc1=O 70655847 OQHXOOJNCWJAMS-UHFFFAOYSA-N 374.422 1.494 0 40 FDAB Cc1cccc2c1N(C1CC1)CCN2C(=O)Cn1ncn2nccc2c1=O 184710400 RZBCCUCYKXJXGK-UHFFFAOYSA-N 364.409 1.215 0 40 FDAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 72378546 QWVDXPXUCCUIEP-QGZVFWFLSA-N 355.442 1.571 0 40 FDAB Cc1cc(C)cc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)c1 224679951 VGARTASXUFOJPB-UHFFFAOYSA-N 355.504 1.527 0 40 FDAB Cc1ccc(-c2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)no2)cc1 40050115 WVWDABYREUQQNR-UHFFFAOYSA-N 374.422 1.505 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222010418 MSDMPJYASGGKHD-DEXNDLTESA-N 362.401 1.803 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 223294836 QMNLGOZSTAGJDN-UHFFFAOYSA-N 350.396 1.038 0 40 FDAB COC(=O)c1cn(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc12 222640248 QJZBPPHUUXNPFE-GFCCVEGCSA-N 364.423 1.740 0 40 FDAB COCC(=O)N1CCC2(CC1)COCCN(Cc1csc(C)n1)C2 96239929 YCCFFOSUUKCBTC-UHFFFAOYSA-N 353.488 1.539 0 40 FDAB CCCc1ncc(C(=O)N2CCC[C@H](c3nn(C)cc3C(N)=O)C2)s1 583622056 IJXGMQMRNDWOQT-NSHDSACASA-N 361.471 1.948 0 40 FDAB CCOc1ncccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583618932 JOYCVDXFQYJEEM-GOSISDBHSA-N 359.430 1.777 0 40 FDAB C[C@@]1(O)CN(Cc2ccc(F)cn2)CC[C@H]1n1cnc2c(N)ncnc21 257234648 GUNIFEFWCXBVGE-CXAGYDPISA-N 357.393 1.141 0 40 FDAB Cn1cncc1-c1nccnc1CC1CCN(C(=O)c2cncnc2)CC1 257274783 NMQLVXLPNRHKME-UHFFFAOYSA-N 363.425 1.762 0 40 FDAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccoc1)N1CCSCC1 253404450 RAXIQBXFMKUATA-OAHLLOKOSA-N 363.439 1.395 0 40 FDAB NCc1cccc(-c2cccnc2C(=O)NCCCN2CCOCC2)c1 257258697 KVCVUIKXJZPZDQ-UHFFFAOYSA-N 354.454 1.659 0 40 FDAB Nc1n[nH]c(C2CCN(C(=O)CCc3cc4ccccc4nc3O)CC2)n1 614992697 UBNDYVMLXBDKET-UHFFFAOYSA-N 366.425 1.980 0 40 FDAB O=C(NCCn1cnnn1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 1622327854 CTCCAKJYFKRFQB-HNNXBMFYSA-N 366.828 1.809 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3ccc(C)n3)cc2)C1 644034896 BHKCNFXDMBGHFA-IBGZPJMESA-N 356.426 1.284 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cn2cc(-c3ccccc3)nn2)C1 644119792 FQKXARUJGKGECH-ZBFHGGJFSA-N 352.398 1.657 0 40 FDAB COc1cc(CN2CCN(c3ncnc4c3nnn4C)CC2)cc(OC)c1 663684601 VGZODKOXCSPTPA-UHFFFAOYSA-N 369.429 1.098 0 40 FDAB COc1coc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1=O 684949457 FTIHBJZBKBNFDQ-GFCCVEGCSA-N 354.366 1.711 0 40 FDAB Cc1cc(C)cc(N2CCN(C(=O)c3ccc4nnnn4c3)CC2=O)c1 77486680 UWOMWWONONVXNC-UHFFFAOYSA-N 350.382 1.230 0 40 FDAB CCC(C)(C)NC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)COc1cccc(C)c1 1615612512 ZJJZESRGUAXNAH-SYNHAJSKSA-N 373.497 1.868 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575404970 PUYGDAISWDWXDF-MRXNPFEDSA-N 356.382 1.340 0 40 FDAB COCCN1C[C@@H](COC)C2(CCN(Cc3cc(C)nn3C)CC2)C1 585104328 ZCRKDRVMZKVPAV-KRWDZBQOSA-N 350.507 1.535 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3cnccn3)C2)o1 585112827 XEDBRPZUUWKOKY-HNNXBMFYSA-N 366.425 1.952 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@H]12 585109223 DBQSXICTKMEQST-QWFCFKBJSA-N 365.433 1.556 0 40 FDAB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2c(C)c(C)nn(C)c2=O)C3)n1 685943626 ZQFRYSQSOUJTEC-UGSOOPFHSA-N 357.414 1.282 0 40 FDAB Cn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cn1 1776009197 AQEHMZXUFKMAMJ-RYUDHWBXSA-N 355.851 1.827 0 40 FDAB Cc1cccc(C2(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)c1 56016392 WWGGQYDONLOFGX-UHFFFAOYSA-N 354.454 1.928 0 40 FDAB Cn1cnc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1 96103787 VIPAWPMIILIFGT-UHFFFAOYSA-N 363.365 1.491 0 40 FDAB CSc1nc(C)c(CCC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)[nH]1 96286615 RZMJGPONJSWDRL-CYBMUJFWSA-N 359.451 1.853 0 40 FDAB O=C1COC2(CCN(C(=O)Cc3ccccc3Br)CC2)N1 1615593124 YQPWXBZXYHSSIL-UHFFFAOYSA-N 353.216 1.457 0 40 FDAB O=C(c1ccc(O)nn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153122 AMZBWGMPECPBHV-IBGZPJMESA-N 368.393 1.220 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCc3ccccc3C2)C1 26744407 RRVZYGQMXPTSRG-MRXNPFEDSA-N 352.456 1.565 0 40 FDAB CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1N 5422507 DHTJCNAGJLPFCS-QGZVFWFLSA-N 369.421 1.289 0 40 FDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCN(c2ccccc2)CC1 12236367 OKCTUDJOJORABQ-MRXNPFEDSA-N 370.478 1.937 0 40 FDAB C[C@H]1N(C(=O)N2CCOCC2)[C@H](C)CN1S(=O)(=O)c1ccccc1 13119412 ONXOGCHUQUXFAR-ZIAGYGMSSA-N 353.444 1.180 0 40 FDAB CC(=O)NC(=S)Nc1ccc2nc(NC(=S)NC(C)=O)sc2c1 16320918 QCZVURZTQIZQQB-UHFFFAOYSA-N 367.481 1.962 0 40 FDAB COc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1OC 19173593 JSDWHOVKCIRQKV-UHFFFAOYSA-N 364.423 1.923 0 40 FDAB 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CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(C2CCCCC2)o1 13793186 GSXZUULAEHSWGK-GFCCVEGCSA-N 356.448 1.870 0 40 FDAB CCc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)cn1 2055750682 QEMIKYSHTULMPC-MOPGFXCFSA-N 352.438 1.764 0 40 FDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 2055725607 IVBXBHJXUIJXIH-DJIMGWMZSA-N 352.456 1.570 0 40 FDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738762 OSVWAWRRXWDKKW-LLVKDONJSA-N 370.365 1.781 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(NC(=O)c1cccnc1)C2 2055845169 DEKQJSKVZLIPDU-UHFFFAOYSA-N 358.486 1.923 0 40 FDAB CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 2055815419 NZWCYMNDVZTUTP-ZWOKBUDYSA-N 365.518 1.500 0 40 FDAB COc1ccc(-n2ccn(CC(=O)Nc3ccc(C)cc3)c(=O)c2=O)cc1 20488942 HNMGYYFCBHABCL-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1F 2086861230 WQEQCJVOUVPXHT-MRXNPFEDSA-N 354.447 1.611 0 40 FDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(c5ncccn5)C[C@@H]4C3)ncn2)n1 585613823 CNBLZALKKLDNQN-HOTGVXAUSA-N 362.441 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CS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 106795787 KVWUXFPELQYWLP-MRXNPFEDSA-N 359.403 1.742 0 40 FDAB COCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21 10157274 QJWJIQLAQZPMEC-UHFFFAOYSA-N 371.393 1.806 0 40 FDAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 8196810 ATXPADXQEUDAMS-UHFFFAOYSA-N 370.471 1.249 0 40 FDAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(O)c1 8378489 VAMCMEUGNRGQPN-UHFFFAOYSA-N 359.407 1.768 0 40 FDAB COc1ccc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2nccn2C)cc1 12525607 LCAHYIHJNAESAD-MRXNPFEDSA-N 353.382 1.042 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 58166709 CONUNKZLGXBXNH-INIZCTEOSA-N 354.472 1.571 0 40 FDAB O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)N1CCCCCC1 58161822 IAFCGHMGCRKJHW-UHFFFAOYSA-N 369.473 1.187 0 40 FDAB COC1=CC=C[C@]23[C@H]4[C@H]5[C@@H]6[C@H](n7c(=O)n(-c8ccccc8)c(=O)n74)[C@@]12[C@@H]3[C@@H]65 104283620 BOWYCMTYIOCWHB-DJQCHPPYSA-N 359.385 1.489 0 40 FDAB CCOCCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 2179196 FWZGJDIIEIOSGG-UHFFFAOYSA-N 362.879 1.957 0 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CC1=NN(C(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)[C@](O)(C(F)F)C1 6394712 QSFIEKFUFLGXKO-MRXNPFEDSA-N 364.308 1.981 0 40 FDAB CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 14094429 HKJKUTKOFRTXBD-UHFFFAOYSA-N 365.411 1.753 0 40 FDAB C[C@H](NC(=O)CSc1nnnn1C1CC1)c1ccc2c(c1)OCCO2 14183279 FWHBSYYALGFENH-JTQLQIEISA-N 361.427 1.749 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 6908230 NXRPDFPPIHQYLH-QGZVFWFLSA-N 365.389 1.366 0 40 FDAB C[C@H](Sc1nc2ccccc2n1C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7093947 LYYFPDPKHGCTGD-NWDGAFQWSA-N 367.496 1.699 0 40 FDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1 7262442 WMIQSLOUIHMGSZ-CYBMUJFWSA-N 369.487 1.112 0 40 FDAB Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(C)CC2)c1 19823557 WTVPCCLLGFCPIO-SFHVURJKSA-N 371.412 1.494 0 40 FDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1[nH]ncc1Br 68394087 FZQBEQLSSLBKEM-AWEZNQCLSA-N 363.215 1.766 0 40 FDAB O=C(NC1CCCCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 71890332 WLQWFCCTHWBZFB-UHFFFAOYSA-N 361.427 1.834 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C 8328618 BOFMXRFQFIBYIB-GFCCVEGCSA-N 352.387 1.212 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3c(c1)OCCO3)C2=O 9865947 WIBMAOJRVHHXNT-UHFFFAOYSA-N 359.382 1.603 0 40 FDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NC[C@H]1CCCO1 409171875 CHZJMZUEPDRIPV-SNVBAGLBSA-N 367.254 1.567 0 40 FDAB C[C@H](CN(C(=O)CCC(=O)N[C@H](C)C(=O)c1ccccc1)C1CC1)C(=O)O 95991934 VDTKQEIHOPFJLM-ZIAGYGMSSA-N 374.437 1.866 0 40 FDAB CC(C)NC(=O)CCN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999749 TXQTXPIODFYEJG-LJQANCHMSA-N 372.513 1.714 0 40 FDAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccnc1 9939784 BINPKYUGNBRYPC-HNNXBMFYSA-N 374.466 1.859 0 40 FDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1 408954833 NOPIETNTBHTBRP-SFUIVIKGSA-N 357.362 1.093 0 40 FDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(C(N)=O)CC2)c1C 72338503 VVVDUWFBIUNHSN-UHFFFAOYSA-N 353.430 1.448 0 40 FDAB CCOC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335746 CEEGFEZQJMOHFX-UHFFFAOYSA-N 353.382 1.828 0 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0 40 FDAB Cn1nncc1S(=O)(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 333355286 WMIJBMGGDCLGCM-ZDUSSCGKSA-N 352.391 1.380 0 40 FDAB COc1ccc(N2CCC[C@H](C(=O)NCc3nc4ccccc4[nH]3)C2)nn1 96232667 RAFDHVGXMYFRAL-ZDUSSCGKSA-N 366.425 1.894 0 40 FDAB COc1ccc(CN(C)CCO)cc1OC[C@@H](O)CN1CCCCC1 95528482 NACXTUBDRZGLQW-KRWDZBQOSA-N 352.475 1.345 0 40 FDAB O=C1OCCN1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 95385559 MCAZLROWNFGJLA-GOEBONIOSA-N 357.410 1.202 0 40 FDAB Cc1ccccc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC2CC2)C1 96253038 DIVYSAALIZGMNZ-OWCLPIDISA-N 364.467 1.299 0 40 FDAB Cc1nn(C)c(N)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 585080913 OXSYELVHGKFXNB-LBPRGKRZSA-N 374.464 1.693 0 40 FDAB O=S(=O)(Cc1ccon1)N1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 585080114 LHIVFEJCSKTWSX-CYBMUJFWSA-N 363.430 1.948 0 40 FDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1cccn1C)C2 96061957 XHYSMIIYHLJYJT-UHFFFAOYSA-N 366.425 1.146 0 40 FDAB Cc1ncsc1CCS(=O)(=O)N[C@@H]1Cc2ccccc2NC1=O 528541255 GUDRURCFUVOGEK-CYBMUJFWSA-N 351.453 1.477 0 40 FDAB CO[C@@H]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)Cc2cccc(F)c2)[C@H]1O 257282979 OWCVZXNQDDIDRL-BFYDXBDKSA-N 366.433 1.308 0 40 FDAB O=C(CCOc1ccccc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257283401 OYDPTBDTNMAKRL-KRWDZBQOSA-N 357.410 1.811 0 40 FDAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 257307115 SXHDXVGAHQWBEB-ZDUSSCGKSA-N 351.414 1.928 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 26983882 VMZXMSDYNBSQRU-INIZCTEOSA-N 370.496 1.360 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1ccccc1 257201680 AINPDNFAAWGERO-MJGOQNOKSA-N 370.453 1.544 0 40 FDAB CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@@H]1n1cccn1 624133046 GRRJEOKXJBSPOO-JONQDZQNSA-N 361.446 1.054 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cnn2cccc(Cl)c12 616433108 DALNRRUQQNQMQA-MRXNPFEDSA-N 350.806 1.355 0 40 FDAB O=C(Nc1cncnc1-n1cccn1)[C@H](C[C@H]1COCCO1)C(F)(F)F 622829047 RRFAYISHWJJNRT-QWRGUYRKSA-N 371.319 1.585 0 40 FDAB C[C@@H](NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C1CCC(F)CC1 624381480 QUTJXGZCURMXRA-PNESKVBLSA-N 366.441 1.640 0 40 FDAB O=C(c1ccnc(N2CCOCC2)n1)N1CCN(C2CC2)c2ccccc21 626531918 BSGMWCYUAIIBHU-UHFFFAOYSA-N 365.437 1.942 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)cc1 659129245 JHWNKCUHCYJXQP-IAGOWNOFSA-N 368.389 1.870 0 40 FDAB C[C@H]1CNC(=O)C2(CC=CCOc3ccccc3C(=O)N1)CCNCC2 1772770554 OFFOYGXTJFQLGE-HNNXBMFYSA-N 357.454 1.630 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC1CCCC1)CO2 575402849 DHAGQTIZMXIPKW-HNNXBMFYSA-N 361.442 1.172 0 40 FDAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 575405975 LPCPEQMMFZMMMF-AWEZNQCLSA-N 366.443 1.279 0 40 FDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 575420868 GCJWIJLTFIDMII-HNNXBMFYSA-N 361.485 1.591 0 40 FDAB CC(=O)c1cc(C(=O)N2C[C@@H]3CN(Cc4csc(C)n4)C[C@H]3C2)n[nH]1 585107583 IUKCKCXTDHDQMC-STQMWFEESA-N 359.455 1.581 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C(=O)O)c1cccc(C)c1 681566426 KROKQUFSHCPPHK-OAHLLOKOSA-N 365.455 1.958 0 40 FDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2cnccc2Cl)[C@H]2CO[C@@H]1O2 952844909 SDAFRPBCQJCAQG-DGXTUMSLSA-N 350.806 1.055 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccnc2N2CCCC2)C1 40142235 YMYPDDKNMBLWKJ-CYBMUJFWSA-N 352.460 1.292 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccn(Cc3ccncc3)n2)c2ccccc21 58156784 FBFSYMFFJPCZLR-UHFFFAOYSA-N 362.393 1.619 0 40 FDAB Cn1nc2c(c1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)CCCC2 675740495 LLSBQWMOYDSUDR-ZDUSSCGKSA-N 359.455 1.999 0 40 FDAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(CC(=O)N(C)C)C1 19695991 NRAJALAWMMVQME-FQEVSTJZSA-N 370.453 1.410 0 40 FDAB Cc1c(C(=O)N2CCN(C)CC2)nnc2c(-c3ccc(F)cc3)cnn12 19817163 AYOOJKUNEZLRFG-UHFFFAOYSA-N 354.389 1.626 0 40 FDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 19868844 HSLGLCQRRRZPRP-CQSZACIVSA-N 371.528 1.313 0 40 FDAB Cc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 165684289 STYMHWVDXIPRTC-LUVWLHFXSA-N 370.405 1.508 0 40 FDAB O=S(=O)(c1ccc(I)cc1)N1CCOCC1 5610699 CIUYBBOXOYPJSE-UHFFFAOYSA-N 353.181 1.312 0 40 FDAB Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)cc1 2056225668 XIMCDJFXHPOWQD-UYAOXDASSA-N 370.453 1.394 0 40 FDAB CC(=O)Oc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cc1 1565556244 ZRQRHGXBTMEDBI-KZNAEPCWSA-N 372.421 1.464 0 40 FDAB COC1(CC(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)CCC1 1565544274 CUHZKZFMXJZUGA-AWEZNQCLSA-N 374.503 1.035 0 40 FDAB O=C1C[C@@H](NS(=O)(=O)c2cccnc2)CN1c1ccc(Cl)cc1 4303442 RQIQCAXWICPZEL-GFCCVEGCSA-N 351.815 1.819 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 4497700 OPXQOOAGMKREER-HNNXBMFYSA-N 358.419 1.973 0 40 FDAB COc1cccc(N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)c1 5221968 TWXHEJKRTUIUSA-ZDUSSCGKSA-N 364.398 1.918 0 40 FDAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)C1CC(F)(F)C1)OC2 2055759234 AKZXJQYJNCZHDG-JTQLQIEISA-N 356.373 1.151 0 40 FDAB COC(=O)[C@@](NC[C@H]1CCCO1)(NC(=O)C1CCCCC1)C(F)(F)F 19856748 FOXPTPQAPFYJSG-IUODEOHRSA-N 366.380 1.883 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)no1 23106720 OHOYQGOVFWUBAQ-GFCCVEGCSA-N 364.427 1.173 0 40 FDAB O=S1(=O)CC[C@H](Nc2nc(Nc3ccc(F)cc3)c3nccnc3n2)C1 35681964 ZEEMNCHKDXWLIV-LBPRGKRZSA-N 374.401 1.902 0 40 FDAB COc1cncc(O[C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)n1 225500632 AKBKEVCRSLLSAF-IAGOWNOFSA-N 369.421 1.997 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccco2)c1 50077893 IYTAXCYXIRNYKW-UHFFFAOYSA-N 350.396 1.467 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2nc3c(s2)CCC3)=NN1c1ccccc1 30692131 VMCBRXJZMOWKBI-ZDUSSCGKSA-N 355.423 1.691 0 40 FDAB CC(C)NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 100788342 GIFLZIXZJZLAOF-ZIGSKRJUSA-N 356.378 1.226 0 40 FDAB biogenic COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(N)=O)cc1Br 101186038 LFMCNUHANARVBI-GFCCVEGCSA-N 370.203 1.580 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102915314 CZONBBNZRITUMS-HUUCEWRRSA-N 355.394 1.326 0 40 FDAB CCN(C[C@H]1CCCO1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 53438294 SJXCUXFGFWBKEI-HOSILWTGSA-N 355.504 1.740 0 40 FDAB O=C(Nc1nncs1)c1ccccc1S(=O)(=O)N1CCCCC1 54194781 BGMHXGPGCDLAPZ-UHFFFAOYSA-N 352.441 1.965 0 40 FDAB CN(CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)C1CCCC1 104573117 ZXXACDNQUQGCTH-GOSISDBHSA-N 371.485 1.738 0 40 FDAB COc1cc2c(cc1OC)CN(CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 24096914 KKTWEAZATOAFSF-UHFFFAOYSA-N 361.398 1.219 0 40 FDAB O=C(CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)NCc1ccco1 24180566 IBUWXSSZAJYGEE-MRXNPFEDSA-N 369.421 1.103 0 40 FDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccsc2)CC(O)=N3)CC1 61717942 ZYSKZDVFRGEAOY-NSHDSACASA-N 373.438 1.657 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1cccnc1)CCC2 78189540 CRHLKEVUBQZCHL-UHFFFAOYSA-N 359.451 1.854 0 40 FDAB CCn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2 2325976 SHQZQISHSBDUMF-UHFFFAOYSA-N 352.181 1.831 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 24986951 RHCLMKDOXSTKJV-GOSISDBHSA-N 365.433 1.975 0 40 FDAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cnn(C)c1 55425994 AWDFPPKLBRGOQF-GOSISDBHSA-N 358.442 1.598 0 40 FDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 4158680 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1.782 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC[C@H]2C)cc1 36394556 YMPPSWGTIPVOBN-CYBMUJFWSA-N 352.456 1.911 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)C[C@@H]1CCS(=O)(=O)C1 100142976 BERCSXXJWXQSIK-GZBFAFLISA-N 374.466 1.451 0 40 FDAB CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2F)cc1 3447937 ZEVSJCJWJKEWAF-UHFFFAOYSA-N 366.414 1.819 0 40 FDAB CCOCCCNC(=O)[C@@H](NC(=O)c1cnccn1)c1ccc(C)cc1 3626126 RJOOCIVIBNWMLA-KRWDZBQOSA-N 356.426 1.799 0 40 FDAB COc1cc(C(=O)N2CCC(C)CC2)c(N(C)S(C)(=O)=O)cc1OC 22251348 WVPXGOPJFDXGGM-UHFFFAOYSA-N 370.471 1.972 0 40 FDAB O=C(CCc1ccc(Br)cc1F)N[C@@H]1CCS(=O)(=O)C1 49463082 XGOGWOYRASLFFK-LLVKDONJSA-N 364.236 1.824 0 40 FDAB O=C(CN1CCCCCCC1=O)NCc1ccccc1N1CCOCC1 65487763 HRXZOTWVARQTEQ-UHFFFAOYSA-N 359.470 1.932 0 40 FDAB O=C(NCCC(=O)N1CCN(C2CC2)CC1)c1ccc(F)cc1Cl 65564187 PDSIMKHDTQVYAZ-UHFFFAOYSA-N 353.825 1.906 0 40 FDAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(C(=O)C2CC2)CC1 14184291 DBAWZUGXVUILCT-UHFFFAOYSA-N 372.494 1.809 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 7019394 OSTHUPUZKQHUJJ-GFCCVEGCSA-N 361.398 1.053 0 40 FDAB CCN(CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 68191004 LVIMFEOEQSIVQJ-GFCCVEGCSA-N 361.895 1.465 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccnn2C2CCCC2)CC1 39983210 UODWBHOZULHAPX-UHFFFAOYSA-N 354.476 1.998 0 40 FDAB CC[C@H](On1nnc2ccc(C(=O)OC)cc21)C(=O)Nc1cc(C)on1 9515074 LSCQGUAMGLJYDA-ZDUSSCGKSA-N 359.342 1.360 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccn3)[nH]c2=O)no1 69455228 UPOKTLACBCCGGT-LLVKDONJSA-N 368.349 1.917 0 40 FDAB CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 118929145 CEOUYEBWMNZTMV-BRNKUGCOSA-N 366.498 1.797 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 8752612 DILCVSLPZFSNKP-UFBFGSQYSA-N 355.847 1.784 0 40 FDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCc2ccco2)C1=O 25105918 UIKDJLTYXKCYCM-FQEVSTJZSA-N 367.405 1.852 0 40 FDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1 75109979 ZXCXIHHGWIRXJK-OKILXGFUSA-N 374.576 1.708 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2CCN(C(=O)c3ccnnc3)[C@H]2CC1 306133967 NAKFUFBJKOAGMN-BBRMVZONSA-N 352.398 1.034 0 40 FDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)o2)n(C)n1 38488067 CCXYATZLUMKNJE-QMTHXVAHSA-N 355.354 1.946 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)N(C)C)cc1C(F)(F)F 72356131 KLRQZDRFRVLVOB-HNNXBMFYSA-N 372.391 1.962 0 40 FDAB Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)nc1Cl 72203177 PXTJWGCKWMMYJO-SNVBAGLBSA-N 356.810 1.949 0 40 FDAB O=C(N=c1cc[nH]cc1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 559964621 FENQBORNUBVJRF-NSHDSACASA-N 356.308 1.263 0 40 FDAB COCC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 527730053 ZQYLEIFEUSQAQP-KRWDZBQOSA-N 366.506 1.330 0 40 FDAB NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 40399509 KSXXHIITCHMBCG-QMMMGPOBSA-N 368.180 1.731 0 40 FDAB O=C(O)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058364 YRPAEPXKEWAFHN-CQSZACIVSA-N 372.418 1.350 0 40 FDAB CCOC(=O)C1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 44841305 CQQUHPRELOHUKI-UHFFFAOYSA-N 357.410 1.507 0 40 FDAB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229853010 XBJPWUIUZSUXFV-YIFBXAAPSA-N 363.753 1.234 0 40 FDAB CCN(CC)CCCNC(=O)COCC(=O)Nc1ccc(OC)cc1 199406693 JVTLDOAKLMJTTI-UHFFFAOYSA-N 351.447 1.498 0 40 FDAB Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)o1 96052357 UVGZUIXWZUAXOA-MOPGFXCFSA-N 350.459 1.670 0 40 FDAB O=C(O)c1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(F)c1 578515564 YZBNGGDYHSWJIL-UHFFFAOYSA-N 370.446 1.914 0 40 FDAB Cn1cccc1C(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226000 ORZLLHXBPOFHMR-GOSISDBHSA-N 353.382 1.420 0 40 FDAB O=C(NC1CC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95474579 DUWDWNJTLSWFPZ-QMMMGPOBSA-N 363.215 1.957 0 40 FDAB Cn1ccnc1C(=O)c1cccc(NC(=O)CCNc2ncccn2)c1 95479812 PVFXEBQMFPYYSY-UHFFFAOYSA-N 350.382 1.882 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cnccn1)C2 96050228 PYUSATQZCKXDBC-LJQANCHMSA-N 351.410 1.040 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1CCOCC1)C2 96050237 PZNWXRWVKRAOAW-FQEVSTJZSA-N 357.454 1.363 0 40 FDAB CC(=O)N1CCO[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@@H]2C1 96249849 FQDOMMPTGLGTJN-IAGOWNOFSA-N 352.456 1.086 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)C[C@@H]1C(=O)N(C)C 257246019 ISBQGTNBLMWKKO-GOSISDBHSA-N 372.469 1.048 0 40 FDAB COC1(CNS(=O)(=O)c2cccc3nsnc23)CCSCC1 252549226 QWRXIAIUAUZBKS-UHFFFAOYSA-N 359.498 1.882 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cc(C)no3)CC2)cn1 257332146 XVXUXSHSLPFEOH-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)CCN1Cc1ccccc1 257332525 XXQZZXWVPVPRIF-GOSISDBHSA-N 370.453 1.293 0 40 FDAB CNC(=O)c1cc2cc(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)ccc2[nH]1 614250260 MHYJNJDAQBUGRX-SJKOYZFVSA-N 367.409 1.768 0 40 FDAB CN1CCCC[C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 624137430 LGRUJXRCPMIXLR-HUUCEWRRSA-N 365.499 1.589 0 40 FDAB C[C@H](C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)n1ccc(C(F)(F)F)n1 632489403 JLXORSDGABKQMY-PRHODGIISA-N 358.295 1.945 0 40 FDAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)N[C@@H](CO)c3ncc[nH]3)c2)C1=O 1672351039 CQBJTNDYNSJYHQ-OLZOCXBDSA-N 372.385 1.100 0 40 FDAB Cn1c(O)nc2cc(C(=O)N3CCN(c4ccccc4)C(=O)C3)ccc21 680940297 QRCQZOSQVDLZAZ-UHFFFAOYSA-N 350.378 1.768 0 40 FDAB Cc1cc(C)n2nc(CCCNS(=O)(=O)c3c(C)noc3C)cc2n1 53668168 HHNKOWQPWKSQFN-UHFFFAOYSA-N 363.443 1.862 0 40 FDAB CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595062 TZIXWOQGVIFQPT-FSPWUOQZSA-N 368.424 1.756 0 40 FDAB COCC(=O)N1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1 12365791 UVTJVANNBNJJPN-INIZCTEOSA-N 374.466 1.894 0 40 FDAB COc1ccc(C(C)=O)cc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 16117513 SNIQRXNMFZPZPD-UHFFFAOYSA-N 364.423 1.358 0 40 FDAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC1)CC1(CCN(C)CC1)O2 19218522 LOCZKAZHLJVRBC-UHFFFAOYSA-N 371.481 1.916 0 40 FDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O 8103594 PRTJYVZJGDUXGA-UVTDQMKNSA-N 364.423 1.884 0 40 FDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)CCC(=O)O)C=C1COC(=O)[C@@]12O 514288277 AHQLBRAJSCUBQQ-SNTIZLKRSA-N 366.410 1.824 0 40 FDAB biogenic,in-vitro COC[C@H](C)NC(=O)CN1CCC(c2ccc(C(=O)N(C)C)cn2)CC1 19705825 HTFXTOHWAXQHOZ-AWEZNQCLSA-N 362.474 1.114 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@@H]3C[C@@H]3C)ccc21 5186302 RKJOLNLWQMGHBV-SMDDNHRTSA-N 351.424 1.781 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 1614929412 AJLJHQIQHYWZIS-CQSZACIVSA-N 356.430 1.476 0 40 FDAB CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565552649 RDLPFMHLYDMCTI-UHFFFAOYSA-N 358.486 1.905 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C2CCC2)CC1 2055745713 WLUIZCDIKGPKJK-UHFFFAOYSA-N 366.487 1.479 0 40 FDAB CSc1ncc(Br)c(N2CCN(S(C)(=O)=O)CC2)n1 1889133891 CWACKIQQLAQITN-UHFFFAOYSA-N 367.294 1.043 0 40 FDAB COc1ccc(NC(=O)CN2CCN(Cc3ccccc3)C(=O)C2)cc1 2086868944 FYKMXWKVHLIPAN-UHFFFAOYSA-N 353.422 1.978 0 40 FDAB CCc1cnc2c(c1Nc1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C 12227156 YKLVHEBJGLKSSY-UHFFFAOYSA-N 354.366 1.667 0 40 FDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CC3)C2)n(-c2cccnc2)n1 2332241431 IVLVIIJBVGHDFM-NUEKZKHPSA-N 371.441 1.332 0 40 FDAB C[C@@H](OC(=O)CCN1CCSC1=O)C(=O)NCc1ccc(F)cc1 40009992 BCRIPABUURCRGX-LLVKDONJSA-N 354.403 1.933 0 40 FDAB COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CCOC1=O)N(C)CC3)OCO2 20111682 ZEBJLZFDIVCYJM-HXPMCKFVSA-N 361.394 1.865 0 40 FDAB biogenic CC/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20265648 XEUZSDOZKSVERU-FOCLMDBBSA-N 358.442 1.783 0 40 FDAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCOCC1 20390121 IBXWCRAIYYXIFL-UHFFFAOYSA-N 361.398 1.624 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N1CCN(C)CC1 101658917 SLDZWTJPSODZNF-CQSZACIVSA-N 351.882 1.020 0 40 FDAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(c2ncccn2)CC1 21528207 ZAECXHHJTZLQDT-UHFFFAOYSA-N 352.373 1.968 0 40 FDAB O=C(CNC(=O)c1ccco1)NCc1cccnc1OCC(F)(F)F 32830090 YYFNFIWXXCDCLM-UHFFFAOYSA-N 357.288 1.662 0 40 FDAB O=C(CCCn1cnc2ccccc2c1=O)NC[C@@H]1CCN(C2CC2)C1 32912045 DMXUUGPKLCNPCT-HNNXBMFYSA-N 354.454 1.777 0 40 FDAB COC(=O)[C@@H](CN1CCN(C)CC1)[C@H](O)c1ccccc1Br 22916226 WDMWPIJVZPESSG-DZGCQCFKSA-N 371.275 1.519 0 40 FDAB CCCNC(=O)CN1CCN(CC(=O)Nc2cccc(SC)c2)CC1 22914858 QIUTZSWKQXICNI-UHFFFAOYSA-N 364.515 1.491 0 40 FDAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)cc1C 23055513 GCWYPCHAQWJYDN-UHFFFAOYSA-N 350.382 1.648 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 807165 PGNKPXQYQQXEIN-AWEZNQCLSA-N 370.471 1.437 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N(C)C)CC2)cc1F 23249272 BLWAJOWAJBMFQX-AWEZNQCLSA-N 350.438 1.167 0 40 FDAB Cc1ccc2c(c1)CCCN2CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 9114291 YLMALQGYUHEODQ-UHFFFAOYSA-N 354.410 1.398 0 40 FDAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 12565711 IWHOIHUIJSXKEG-HOTGVXAUSA-N 372.421 1.906 0 40 FDAB CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1N 6764255 FEDRJBOFGBDYTO-UHFFFAOYSA-N 357.370 1.876 0 40 FDAB C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 7029443 NWSFLFIZTXXIIO-NSHDSACASA-N 367.361 1.705 0 40 FDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)N(C)C 7501572 QLANSFMYVHRZHS-NSHDSACASA-N 370.361 1.709 0 40 FDAB Cn1c(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(=O)n(C)c1=O 57378637 WAWXZHWTJLQESP-INIZCTEOSA-N 371.437 1.582 0 40 FDAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H]1c1cccs1 57381148 MDALPEDVXQVOEX-GHMZBOCLSA-N 362.455 1.136 0 40 FDAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NC1CCCC1 35483581 BBQJQOJLEIRESQ-UHFFFAOYSA-N 361.471 1.902 0 40 FDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1nc(N)nc(N(C)C)n1 26262810 JVWBJWSVKXCATI-UHFFFAOYSA-N 370.417 1.511 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CCSc1nc(C)cc(N)n1 8721053 DGOIYXFTSQKYHJ-GHXNOFRVSA-N 354.457 1.439 0 40 FDAB Cc1ccc([C@@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)N(C)C)cc1 58180947 ACUZXTZYJDLSKW-MRXNPFEDSA-N 358.442 1.032 0 40 FDAB O=C(c1ccc(C(F)(F)F)nc1O)N1CCN(c2ncccn2)CC1 58218744 UBVBUYOLQNJXPW-UHFFFAOYSA-N 353.304 1.558 0 40 FDAB O=C1NN(c2cccc(C(=O)N3CCOCC3)c2)C(=O)[C@H]2CC=CC[C@@H]12 58264953 YJZBKGOSDDCZFR-CVEARBPZSA-N 355.394 1.119 0 40 FDAB CC1(C)CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)c2ccccc21 58209465 YYXFLUDAZHZWRP-INIZCTEOSA-N 350.484 1.646 0 40 FDAB CSCC[C@H]1NC(=S)N(c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1=O 9607607 ZXGDSAUAWFYZQX-PSASIEDQSA-N 351.453 1.749 0 40 FDAB Cc1cc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)no1 27985773 OKDKCFNXTLJEHV-LLVKDONJSA-N 364.427 1.670 0 40 FDAB COc1ccc(-c2c3c(=O)n(-c4ncn[nH]4)ccc3nc3nc(C)nn23)cc1 36356848 NWRFJNUFLCHHTI-UHFFFAOYSA-N 374.364 1.531 0 40 FDAB CCc1nnsc1C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 29818030 OMBMSQHIGQAFOX-UHFFFAOYSA-N 356.429 1.733 0 40 FDAB NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 101982797 NONAFFPJNGHMCF-ZDUSSCGKSA-N 370.236 1.823 0 40 FDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(CCc2ccccc2)CC1 102844382 XDSVYMDGWXSUOL-OALUTQOASA-N 353.466 1.755 0 40 FDAB C[C@@H](C(=O)OCC(=O)N1CCCCCC1)N1C(=O)c2ccccc2C1=O 3294616 RRYSBQXHEAGODR-ZDUSSCGKSA-N 358.394 1.617 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 12773187 OKIMESIYHJQVPJ-ZDUSSCGKSA-N 357.435 1.473 0 40 FDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccsc1 48362331 MIFAOHYYZIISOD-VHDGCEQUSA-N 356.513 1.919 0 40 FDAB Cc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 13183245 SIDUYQPLTZYPIN-INIZCTEOSA-N 374.418 1.984 0 40 FDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 4065432 SABAMPQTLVPIKP-MRXNPFEDSA-N 364.398 1.911 0 40 FDAB Cn1c(=O)c2c(ncn2CCSc2nc3ccccc3s2)n(C)c1=O 9319086 LELHQJYISVZQGP-UHFFFAOYSA-N 373.463 1.836 0 40 FDAB COC(=O)c1cc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)ccc1OC 65591701 QCVWGIIDRIOECC-UHFFFAOYSA-N 371.349 1.550 0 40 FDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(F)cc1F)n2CCOC 6564553 BLKNENUVERLWBS-UHFFFAOYSA-N 364.352 1.888 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CC(=O)Nc2ccccc21 6578481 LAWSENFLSRCZFA-UHFFFAOYSA-N 370.384 1.681 0 40 FDAB Cc1cn2nnc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c(O)n1 85470489 CCKKNERVANPVDN-UHFFFAOYSA-N 366.425 1.533 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccnn3C)C2)no1 306139173 SRJYZWPOVWXQME-HNNXBMFYSA-N 369.429 1.290 0 40 FDAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1N1CCOCC1 7722990 TYKGCHQOHGTQDA-ZIAGYGMSSA-N 367.519 1.922 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 7979049 XGHKJCXTXOTBBG-CYBMUJFWSA-N 369.377 1.578 0 40 FDAB COC(=O)c1ccccc1NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O 17043195 GPZIOBNCFQEFCQ-NSHDSACASA-N 367.361 1.676 0 40 FDAB biogenic CC(C)c1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)O)cc1 69534017 NZLQPGQMAZQZOX-UHFFFAOYSA-N 357.370 1.375 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OCc2ccccc2)cc1 17305218 OXLIHYRINKSFQM-UHFFFAOYSA-N 351.362 1.754 0 40 FDAB CC(C)CNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 8766472 RXVPHUXNKGHCHA-UHFFFAOYSA-N 365.455 1.375 0 40 FDAB CCOc1c(Br)cc(C(=O)N2CCNC(=O)C2)cc1OC 8984682 NQXWQPZVZIYENG-UHFFFAOYSA-N 357.204 1.428 0 40 FDAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCN1CCCS1(=O)=O 84028859 HVSWHCOYWJPSMM-UHFFFAOYSA-N 359.451 1.822 0 40 FDAB CN(CCOc1ccccc1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 75612187 IDSPBXJYHPZVNY-GOEBONIOSA-N 364.442 1.894 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)o1 84199624 WXZZEXFQESJCGL-WDEREUQCSA-N 371.459 1.130 0 40 FDAB C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@@H](C)O1 95962847 SKOBHDUIYXYVCK-VXGBXAGGSA-N 355.385 1.616 0 40 FDAB O=C(O[C@H]1CCCCC1=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 84341025 XVUCXGGGGGBGQW-AWEZNQCLSA-N 355.387 1.935 0 40 FDAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCC(=O)O 409039869 XBVMDDKFEVHZGU-WQLSENKSSA-N 364.423 1.968 0 40 FDAB COCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244570 YHMMFIMIYWVAGP-UHFFFAOYSA-N 357.476 1.069 0 40 FDAB CCN(CC)C(=O)CN(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 32759478 BLSPKDNWEAROFB-UHFFFAOYSA-N 360.414 1.010 0 40 FDAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)COc2ccccc2)C1 72374033 PDJMZFLWGKFNTR-MRXNPFEDSA-N 355.442 1.856 0 40 FDAB Cc1nccn1-c1cccc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 72379153 HGIGTSYYBHTOBD-QGZVFWFLSA-N 369.469 1.614 0 40 FDAB COC(=O)CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 32641260 PFGIUDACKVWLCZ-ZDUSSCGKSA-N 359.831 1.071 0 40 FDAB O=C(NCc1ccco1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655973 XMGHJDPCTHZCBM-AWEZNQCLSA-N 352.398 1.788 0 40 FDAB COc1ccc(CNC(=O)CCCc2nnc3ccc(OC)nn23)cc1 71284710 QAAMRFVCKFYGGW-UHFFFAOYSA-N 355.398 1.781 0 40 FDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 26455340 LOSGGYFXWUWTSY-KDOFPFPSSA-N 359.451 1.971 0 40 FDAB Cn1cc([C@@H]2CN(C(=O)Nc3cc(-c4ccsc4)nn3C)C[C@H]2N)cn1 567675933 ZMQDTIYRYYZNJA-UONOGXRCSA-N 371.470 1.841 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)CC1 72322035 DZCUFDCVNXHEAG-SFHVURJKSA-N 355.442 1.856 0 40 FDAB biogenic,in-vitro COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 47328470 MHNNEWBUAZFYLV-UHFFFAOYSA-N 359.367 1.250 0 40 FDAB O=S(=O)(NC[C@](O)(c1ccco1)c1cccs1)c1cccnc1 225589151 GISBPLTZAYLNQN-HNNXBMFYSA-N 350.421 1.951 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCN2CCOCC2)ccc1Br 42646191 BMWSQWVRFQITLR-UHFFFAOYSA-N 370.247 1.144 0 40 FDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628600 DJQTYOPQIZTKNN-FPXQBCRKSA-N 357.362 1.093 0 40 FDAB O=C(Cc1cccs1)OCCNC1=NS(=O)(=O)c2ccccc21 95481969 JKBOKCOWRJQMRL-UHFFFAOYSA-N 350.421 1.573 0 40 FDAB CCS(=O)(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 97953885 JAHJGAGIGDPWEL-OAHLLOKOSA-N 353.488 1.969 0 40 FDAB COC[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)CN1c1ncccn1 96051820 UFROHMAXBBETGY-HNNXBMFYSA-N 368.441 1.414 0 40 FDAB COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)n[nH]2)cc1OC 95473354 KYKAGEGMDRJWCW-UHFFFAOYSA-N 360.414 1.156 0 40 FDAB CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96250964 FBFWRCCPEUUODS-GVDBMIGSSA-N 365.499 1.089 0 40 FDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2c[nH]c3ccccc23)n1 604382670 YKYVGWHRVGEJOS-VURPSTOHSA-N 366.465 1.957 0 40 FDAB biogenic,in-vitro Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)c2cocn2)C3)n1 253601547 TWBDBGHAZXTFJS-CQSZACIVSA-N 358.398 1.863 0 40 FDAB Cc1cc(F)ccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257256397 KLHVLKGDYXFTRQ-ZHALLVOQSA-N 350.434 1.359 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1C 257255465 KHORCSRCNFZZLA-QUCCMNQESA-N 373.497 1.743 0 40 FDAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc(Cn2cccn2)cc1 644072533 RAEMLWGJDXEPEM-QRVBRYPASA-N 354.454 1.649 0 40 FDAB CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cn(C)nc1C 657146234 ZNHBIFJIIJCERS-GXTWGEPZSA-N 353.448 1.001 0 40 FDAB Cn1cnc([C@@H]2CN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@H]2N)c1 685942812 ORWWWHNOYJVIGK-HZPDHXFCSA-N 353.426 1.114 0 40 FDAB CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCCS(=O)(=O)[C@@H]23 1776006430 VPHLCWGYYWSKGU-YQQAZPJKSA-N 366.439 1.455 0 40 FDAB CS(=O)(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 95545367 KHQBRKAWIQURCA-MRXNPFEDSA-N 367.446 1.831 0 40 FDAB CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cccs4)CC3)[C@@H]2C1 1615588568 CGADONLWHJSYAE-KGLIPLIRSA-N 363.439 1.404 0 40 FDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575406041 VSGCQRQOEBUXOK-HNNXBMFYSA-N 368.422 1.248 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@H]2C 585098157 VGBSQUWRGKPZPU-LBPRGKRZSA-N 354.414 1.918 0 40 FDAB Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O 585097488 MHFIZXBVZGHVIC-CQSZACIVSA-N 357.414 1.525 0 40 FDAB COC(=O)c1sccc1CN1CCc2ccc(S(N)(=O)=O)cc21 75110408 GOZOWBJBVWRPLE-UHFFFAOYSA-N 352.437 1.745 0 40 FDAB O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2)OCc1ccccc1 888107134 QAKMQZCFSVRMDC-HOTGVXAUSA-N 369.425 1.899 0 40 FDAB Cn1nccc1CN1CC2(C1)OC(=O)N1CCN(Cc3ccccc3)C[C@H]12 1549160885 BRYQVOUDVMCTOE-SFHVURJKSA-N 367.453 1.311 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152584 AZCOVUASFGARDF-LJQANCHMSA-N 372.400 1.597 0 40 FDAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 5831547 VFVHAFVHWNSVIJ-UHFFFAOYSA-N 350.415 1.983 0 40 FDAB O=C(O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCOCC1 12481147 RPZCHOHFOYUQKO-OALUTQOASA-N 374.481 1.891 0 40 FDAB biogenic,in-vitro Cc1occc1-c1nnc(SCC(=O)NC(=O)c2cccn2C)n1C 14068308 ACZQSURVZGOYLP-UHFFFAOYSA-N 359.411 1.771 0 40 FDAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccon1 17178458 ICAGUOOLUJXQHN-INIZCTEOSA-N 372.425 1.583 0 40 FDAB O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccc(-n2ccnc2)cc1 19657960 BYFHAMBKMYQFLA-UHFFFAOYSA-N 367.453 1.898 0 40 FDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)Cc1cc(C)ccc1OC 643586212 IQOALNGZHLSEDF-MDZRGWNJSA-N 351.443 1.153 0 40 FDAB Cn1cc(S(=O)(=O)NCC2CCN(C3CCSCC3)CC2)cn1 252507417 WKVYKJQCAOGEKM-UHFFFAOYSA-N 358.533 1.306 0 40 FDAB COc1ccccc1CNC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198289 HKIMYKPKPYVPDJ-UHFFFAOYSA-N 373.800 1.407 0 40 FDAB O=S(=O)(c1cccnc1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888869454 SPAMGCBCCLOXDY-CYBMUJFWSA-N 360.439 1.839 0 40 FDAB O=C([C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1)N1CCOCC1 1889136335 RLLXAESPISTGGA-CQSZACIVSA-N 351.790 1.545 0 40 FDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4cnc(C)nc4)C[C@@H]32)n1 2056223843 GVNFXZVVGRCXLO-ROUUACIJSA-N 353.426 1.214 0 40 FDAB O=C1[C@H](N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)CCN1CC(F)(F)F 2086918800 UHGZUNJPOJHKAN-YRGRVCCFSA-N 372.366 1.752 0 40 FDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O 1565542246 LLGGEAREUHBPQC-GHTZIAJQSA-N 365.433 1.478 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OC)c(C)c1 10256176 QHGQCXIVZBTDTB-MRXNPFEDSA-N 360.435 1.870 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 10330828 PJGUGLQYVXIYJF-INIZCTEOSA-N 369.421 1.815 0 40 FDAB O=C(Cc1ccccc1F)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731622 NPNZVMMWCRGUEN-LSDHHAIUSA-N 373.428 1.597 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccncc2)N2CCOCC2)cc1 23106969 OODNFIBHGPJPRW-GOSISDBHSA-N 368.437 1.518 0 40 FDAB FC(F)(F)c1ccnc(N2CCN(c3ccc4nncn4n3)CC2)n1 108947138 JKXCNVNLWSGNNB-UHFFFAOYSA-N 350.308 1.260 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)c1cccc(F)c1 40087809 SLPGPGHBBYMGQC-OAHLLOKOSA-N 357.389 1.054 0 40 FDAB NC(=O)Nc1ccc(CC(=O)OCCn2c(=O)oc3ccccc32)cc1 30779177 BZBCNSGUQFZDBG-UHFFFAOYSA-N 355.350 1.871 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@H](c1cccs1)N1CCOCC1 23745244 PAJWNYJQFICNMD-MRXNPFEDSA-N 373.478 1.668 0 40 FDAB COc1cccc(COCC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 106076995 FPRIYJDLOXJUIT-OAGGEKHMSA-N 350.459 1.826 0 40 FDAB CN(C)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3218019 GSXNKZCOBRMXEC-UHFFFAOYSA-N 361.467 1.803 0 40 FDAB C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 106545436 VDEVCBUUDDICFE-HNNXBMFYSA-N 374.464 1.447 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](C)C2)C1 107135953 HIBGSFUWXSWMEZ-BXUZGUMPSA-N 355.460 1.561 0 40 FDAB CS(=O)(=O)CCCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 56417689 SQVMSARFJCPLJT-SECBINFHSA-N 350.849 1.445 0 40 FDAB NC(=O)NCc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 57166127 CDPSURXNHHMJKC-UHFFFAOYSA-N 367.453 1.644 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H](C)N1 109067128 JPZUOMMHMLYUDK-NXEZZACHSA-N 366.892 1.114 0 40 FDAB COc1ccc(OC[C@H](O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 2094519 SYUDRJAFDXATKU-BRWVUGGUSA-N 370.449 1.716 0 40 FDAB biogenic c1ccc(-n2nnnc2CCCN2CCN(Cc3ccccn3)CC2)cc1 58167016 LAWHZJPHEMLSFO-UHFFFAOYSA-N 363.469 1.808 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1ccccc1-n1cnnn1 58202469 AEHDNQBYKJJPBG-UHFFFAOYSA-N 363.356 1.917 0 40 FDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3280602 LXVPBNIRLREUDL-IBGZPJMESA-N 367.361 1.821 0 40 FDAB C#CCN1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 72270399 FZDMQQXYIFHWLU-ZDUSSCGKSA-N 357.382 1.224 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc21 11615512 RBVYGKWYALZNDS-UHFFFAOYSA-N 352.803 1.726 0 40 FDAB NS(=O)(=O)NC[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 60371285 WAIRVGBKJHBUEH-MRVPVSSYSA-N 372.800 1.763 0 40 FDAB O=C(Cc1ccccc1F)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3217617 VIHHKKOBWGNXMB-UHFFFAOYSA-N 374.368 1.489 0 40 FDAB O=S(=O)(NCCSc1nnnn1Cc1ccco1)c1ccccc1 48189067 ICOCZEWSROFTHY-UHFFFAOYSA-N 365.440 1.385 0 40 FDAB O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1 3300375 KBGIAMKHJCOONE-UHFFFAOYSA-N 370.438 1.173 0 40 FDAB COCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 48366065 LTEXLVFPWTUTHX-UHFFFAOYSA-N 355.441 1.666 0 40 FDAB O=C(CCc1ccncc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005359 FYKIZKFFCOJWQU-QGZVFWFLSA-N 365.499 1.867 0 40 FDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 3882512 YSWNWJUKLUOERO-NWJSVONSSA-N 350.168 1.820 0 40 FDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(NC2CC2)nc1 63989784 HNVRZUHQTURBOZ-HZPDHXFCSA-N 359.426 1.983 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 13985606 PYEFLFDHAZDTJY-LLVKDONJSA-N 358.394 1.301 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495955 VMRRYQVKZPTZML-LBPRGKRZSA-N 357.341 1.454 0 40 FDAB COc1cc2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]c2cc1OC 5388948 ZWVASJZLLZFKJE-NSHDSACASA-N 352.412 1.444 0 40 FDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NCCc1c[nH]c2ccccc12 14169576 VSGSOJPFDLIBHL-UHFFFAOYSA-N 354.410 1.896 0 40 FDAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(-n2cnnn2)cc1 14230473 ZLHPKAQJBUJWFD-UHFFFAOYSA-N 351.370 1.813 0 40 FDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(OC)ccc1OC 6719150 BEMNAPZCJGNBSL-WCQYABFASA-N 356.469 1.799 0 40 FDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 9423273 XCUIMUYPTBUUMV-AAEUAGOBSA-N 360.407 1.629 0 40 FDAB CCOC(=O)N1CCN(C(=O)COc2cc(OC)ccc2C(C)=O)CC1 5938318 UPWDYELFZKBXNV-UHFFFAOYSA-N 364.398 1.577 0 40 FDAB NC(=O)c1ccc(-c2nnn(CC(=O)N(C3=CCCCC3)C3CC3)n2)cc1 7143661 SSOCSZPHEPJITM-UHFFFAOYSA-N 366.425 1.888 0 40 FDAB COCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)n[nH]c1=O 7347882 IAVLJOKEWLLPPY-UHFFFAOYSA-N 365.411 1.354 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@H](COCc3ccncc3)CCN2C)C1 306130863 JRKCSWNBHQIZAY-QGZVFWFLSA-N 367.515 1.733 0 40 FDAB CC(C)CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 8704995 GZNBOCBJJHVBON-UHFFFAOYSA-N 354.472 1.511 0 40 FDAB COc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1F 8748990 DKHZAPISYVYGNC-JTQLQIEISA-N 352.387 1.973 0 40 FDAB CC[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(OC)cc1 8754617 OZUMQOYGFNMIGC-INIZCTEOSA-N 367.405 1.966 0 40 FDAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O 9725177 VWHBBNYZHLFHNZ-LSDHHAIUSA-N 362.474 1.784 0 40 FDAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(C)n[nH]2)n1N 8969422 PKSBGACUDKNVHI-UHFFFAOYSA-N 357.443 1.984 0 40 FDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNS(=O)(=O)C4CC4)[C@H]3C2)s1 306139653 TWPLERZTPMFQFU-DAXOMENPSA-N 356.513 1.585 0 40 FDAB O=C(CNC(=O)NC1CCCCC1)NCCNC(=O)NC1CCCCC1 89818452 BKVQUDFHGXVKOS-UHFFFAOYSA-N 367.494 1.366 0 40 FDAB NC(=O)C1CCN(C(=O)CCOc2ccc(Br)cc2)CC1 24964914 LUCRJHWOYXZZHP-UHFFFAOYSA-N 355.232 1.942 0 40 FDAB Cn1nccc1S(=O)(=O)NC[C@@H](Cc1ccccc1Cl)C(=O)O 548210660 WNROEOHPTQFTSY-LLVKDONJSA-N 357.819 1.295 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)O)Cc1ccccc1Br 548545375 NVUDFIWSVCFMAX-UHFFFAOYSA-N 351.222 1.142 0 40 FDAB COCCn1nnnc1[C@H](C(C)C)N1CCN(c2ccccc2OC)CC1 35310991 FGUFDXDLDKDSSR-SFHVURJKSA-N 374.489 1.847 0 40 FDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 218167915 SKANLEXBWIVOHE-ZWKOTPCHSA-N 374.462 1.567 0 40 FDAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnn2cccnc12 72324382 IKLKUDSRUKPNLA-GFCCVEGCSA-N 351.366 1.846 0 40 FDAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2N)cc1 40448001 IDMRSIDLCAZURG-UHFFFAOYSA-N 366.395 1.630 0 40 FDAB CCOc1ccc([C@H]2C(C(=O)OC)=C(CC)Nc3nnnn32)cc1OC 45896033 KVWQOWOLOAUZRT-HNNXBMFYSA-N 359.386 1.932 0 40 FDAB Cc1ccccc1NCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 570658948 LIANEAQNZXCEJI-CVEARBPZSA-N 352.456 1.212 0 40 FDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC)c(NCC3CC3)nc2CC1 96086823 FZWVTXPPHFWUOI-UHFFFAOYSA-N 366.487 1.013 0 40 FDAB O=C(N1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)C1 96062884 QQMIQYBDLAXLKG-UHFFFAOYSA-N 350.488 1.883 0 40 FDAB CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(O)nn3)CC2)cn1 583621939 WKCMLGDRYDMUTP-CYBMUJFWSA-N 356.430 1.750 0 40 FDAB O=C(O)[C@H]1CN(Cc2ccco2)C[C@@H]2CN(Cc3ccco3)CCN2C1 247341232 ANVRRTZZSCHGDO-HOTGVXAUSA-N 359.426 1.575 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC2CCN(C)CC2)c1 257276219 NSVXNNJIUPCVQJ-UHFFFAOYSA-N 355.442 1.332 0 40 FDAB CC(C)(C(=O)NC[C@]1(O)CCN(c2ncccn2)C1)c1ccccc1F 257339465 ZBVWFASCGHPMEU-LJQANCHMSA-N 358.417 1.651 0 40 FDAB Cn1cc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c(=O)n(C)c1=O 640333670 RGRURNMSJFIUPC-HIFRSBDPSA-N 372.425 1.373 0 40 FDAB CC(=O)N[C@@]1(c2nc(C)no2)CCN(Cc2ccc3c(c2)ncn3C)C1 643722618 NJZQEQMRKQNRDU-SFHVURJKSA-N 354.414 1.502 0 40 FDAB Cc1cnc(OC(C)C)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2C)c1 644489823 FEUMMAYHCGCCKH-ZDUSSCGKSA-N 355.460 1.235 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)cc1 96103913 DVDZFVOSPWSFIY-UHFFFAOYSA-N 371.422 1.521 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccno3)C2)cc1 680510058 FVANLALZSVMVOA-CQSZACIVSA-N 363.439 1.700 0 40 FDAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 1775959025 CIRIWZBJGKFFEZ-INIZCTEOSA-N 355.442 1.977 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)c1 26969807 NDDAHBAOCDTZMM-CQSZACIVSA-N 370.496 1.226 0 40 FDAB COc1ccccc1N1CC[C@@H](CNC(=O)N2CCn3c(C)nnc3C2)C1 601297933 XAKYGWQDAUVNKM-HNNXBMFYSA-N 370.457 1.647 0 40 FDAB CCC1(N2CCOCC2)CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 626456512 DSORMPOOQFEGMD-UHFFFAOYSA-N 362.478 1.651 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3ccc(N4CCCC4)nc3)C[C@H]2O)cn1 628375646 QKFDESXBORWFBK-QZTJIDSGSA-N 357.458 1.522 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)NC[C@@H](C(=O)O)C2CCCCC2)CC1 630262116 IHIYHTGSFOZJOS-OAHLLOKOSA-N 353.463 1.777 0 40 FDAB CCc1cc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)n(C)n1 635447184 POSWLTDMCGFSRM-UHFFFAOYSA-N 372.425 1.716 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3cccn3C)C2)cn1 585111944 DYEDHOFHIHJTAF-INIZCTEOSA-N 367.457 1.332 0 40 FDAB NC(=O)C1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 29502317 FJRNEBIDLGNPIC-UHFFFAOYSA-N 354.204 1.512 0 40 FDAB Cc1nn(C)cc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153172 ARTKXULLTGQMNU-LJQANCHMSA-N 354.410 1.377 0 40 FDAB C[C]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 1560407460 BPAWFPDALWTRSQ-UHFFFAOYSA-N 360.365 1.383 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 5018568 JWSZKVRTBNPBCK-CQSZACIVSA-N 370.471 1.391 0 40 FDAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccsc4)nc32)c1 12114053 RBCUZFBOARKYOP-UHFFFAOYSA-N 367.390 1.945 0 40 FDAB CCc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 12276697 ASEZGHUHHIRADS-XEWABKELSA-N 369.469 1.462 0 40 FDAB COc1cc(C(=S)N2CCC(CCO)CC2)ccc1OCC(N)=O 13547129 NYMWUSCIUCARTO-UHFFFAOYSA-N 352.456 1.329 0 40 FDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)CC1 15674897 BUOBUZOVDWRSLU-SJORKVTESA-N 374.416 1.994 0 40 FDAB biogenic,in-vitro O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCN(C(=O)C4CC4)C3)nc2C1 19015093 WIBRJJOHJPWQRC-ZDUSSCGKSA-N 356.426 1.203 0 40 FDAB CC(C)c1noc([C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C2CCOCC2)n1 502669672 NLGNSHBOMJSRST-JSGCOSHPSA-N 350.419 1.255 0 40 FDAB CN([C@H]1CCCNCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 658403782 QXELMZDBEPXQEJ-LBPRGKRZSA-N 371.890 1.987 0 40 FDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 684530648 SGNGWWDRNPIPTL-MJBXVCDLSA-N 367.243 1.874 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C 3522654 LLKHAUFVWCWMQV-VIFPVBQESA-N 368.484 1.938 0 40 FDAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928218 WTSSRMJTPBRMJX-UHFFFAOYSA-N 366.830 1.277 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)n1)CCC2 1888866293 SUPFHPUYJMLRIY-OKILXGFUSA-N 352.442 1.216 0 40 FDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 1614941196 WNGYFDKLRPNLKM-AWEZNQCLSA-N 374.428 1.534 0 40 FDAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007647 UZYPFRBFJCRWNL-UHFFFAOYSA-N 371.437 1.551 0 40 FDAB O=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccccc1 4251624 GUIMLZOYZUWVJQ-UHFFFAOYSA-N 366.396 1.992 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 10511582 KSDNNLSYGOPDBK-UHFFFAOYSA-N 353.421 1.746 0 40 FDAB Cc1cc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)n[nH]1 2055713899 XIBZRCCIKFVBHZ-UHFFFAOYSA-N 368.441 1.815 0 40 FDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 2055830164 AVDTZVSWJZRIBR-IBGZPJMESA-N 366.425 1.646 0 40 FDAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 22769300 MJNWXSVOISNWKO-QGZVFWFLSA-N 371.437 1.394 0 40 FDAB Cc1cc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n2ncnc2n1 2298194484 GYIHRCXEYUXCAU-CYBMUJFWSA-N 364.400 1.907 0 40 FDAB CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cccc12 30836182 DHOZTIJMCYMTMJ-GFCCVEGCSA-N 366.395 1.112 0 40 FDAB COc1cccc([C@@H](O)[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1OC 40267356 ROWAKELLCPMBIU-UYAOXDASSA-N 370.405 1.745 0 40 FDAB COc1c2c(cc3c1[C@@H](c1c(O)[nH]c(=S)[nH]c1=O)N(C)CC3)OCO2 20412321 HUHLUSPAYUWBMW-NSHDSACASA-N 363.395 1.453 0 40 FDAB biogenic CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567839 URDCORQKCKZJGG-UHFFFAOYSA-N 357.476 1.231 0 40 FDAB CCCc1nnc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101420402 FYLBRTROSSXIEN-TXFQPVFDSA-N 360.439 1.626 0 40 FDAB COC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 102259717 YYURUUXFNFKDEK-AOOOYVTPSA-N 363.395 1.210 0 40 FDAB Cn1c(=O)ccn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1=O 32993310 MELBRBKAHVHSBK-SFHVURJKSA-N 363.417 1.647 0 40 FDAB Cn1cccc1C(=O)NCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 23003240 YMDBGPVMHNENPD-KRWDZBQOSA-N 371.437 1.743 0 40 FDAB C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1 23743373 JLYWZDOXMANYEZ-LLVKDONJSA-N 368.274 1.305 0 40 FDAB O=C(CNS(=O)(=O)[C@@H]1CCCOC1)Nc1ccc(F)c(F)c1F 95468741 NXNSMVURXHIARK-MRVPVSSYSA-N 352.334 1.141 0 40 FDAB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1 1587127 MVUUMBZAHAKPKQ-FQEVSTJZSA-N 363.373 1.662 0 40 FDAB C[C@H]1CCCCN1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 2628614 GSQCWOJAXXJTRP-HNNXBMFYSA-N 351.472 1.987 0 40 FDAB O=C(O)[C@H]1Sc2nc(O)sc2[C@@H]2c3ccc(O)cc3OC(=O)[C@H]12 4597812 XLLALKBLIJIEGD-WEDXCCLWSA-N 351.361 1.780 0 40 FDAB CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 8297587 NUTRHNNFSVCCQO-WDYCEAGBSA-N 369.469 1.656 0 40 FDAB biogenic,in-vitro CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(CCN2CCSCC2)cc1 57958431 NZADJBPORQHTSI-CQSZACIVSA-N 364.515 1.924 0 40 FDAB CCOC(=O)C1=C(N)OC2=C(C(=O)O[C@H](C)C2)[C@@]12C(=O)Nc1ccccc12 2294390 KYKFYHXAKITAHY-AYLIAGHASA-N 370.361 1.230 0 40 FDAB COc1cccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)cn2C)c1 28266132 AKOVNBHHPNPZSZ-UHFFFAOYSA-N 351.428 1.973 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 45750582 QMLCMYIGQGLHSJ-WBMJQRKESA-N 359.401 1.448 0 40 FDAB COc1cc(OC)c(C(=O)OCn2nnc3ccccc3c2=O)cc1OC 2631799 QYEOIYDHJSOUPP-UHFFFAOYSA-N 371.349 1.632 0 40 FDAB O=C(NCCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccccc2)C1 61089195 YEIBHYDQKADTDR-INIZCTEOSA-N 363.421 1.437 0 40 FDAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)o1)[C@@H]1CCS(=O)(=O)C1 12865645 AAFJIVUOPDRQHF-MWLCHTKSSA-N 359.473 1.463 0 40 FDAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnnn1C 12801987 SKHLXYVBSJGNMO-UHFFFAOYSA-N 371.444 1.500 0 40 FDAB NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 3423864 IMLPYBIFSUAYRB-UHFFFAOYSA-N 356.773 1.731 0 40 FDAB CCOC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nc1 12908678 CXHSCNGISUALOF-UHFFFAOYSA-N 373.413 1.315 0 40 FDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 12963760 IFIBRBBVQXKMBN-NSHDSACASA-N 359.407 1.841 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NC2CCC(O)CC2)c(F)cc1F 48649008 JUEQRKIKLFFKRB-UHFFFAOYSA-N 356.325 1.110 0 40 FDAB CCN1CCN(S(=O)(=O)c2cc(C)c3c(c2)C(C)(C)C(=O)N3)CC1 71196008 WKKTYICMXXCVEN-UHFFFAOYSA-N 351.472 1.551 0 40 FDAB Cn1ccnc1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6167935 HYANSQQGJNBRMM-UHFFFAOYSA-N 369.830 1.325 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5345288 YRSZYPUSIVCZEE-FRSQKNERSA-N 355.438 1.862 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1=O 6589012 QFIFJYBFRFIYNX-SFHVURJKSA-N 371.397 1.343 0 40 FDAB CCCn1nc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)ccc1=O 14642872 VYFQQFHDYOVPPP-UHFFFAOYSA-N 374.784 1.672 0 40 FDAB Cc1nc2ncnn2c(N2CCC(C(=O)Nc3cccnc3)CC2)c1C 84057744 FUGNUYOPCPFREW-UHFFFAOYSA-N 351.414 1.991 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)NC(=O)Nc2ccccc2)c2ccccc2O1 7255332 YLRPPKYKPITFMJ-INIZCTEOSA-N 368.393 1.348 0 40 FDAB CC(C)C[C@H](C(=O)O[C@@H]1C[C@H](C)OC1=O)N1C(=O)c2ccccc2C1=O 7392081 RVQACONCRXICFQ-NILFDRSVSA-N 359.378 1.945 0 40 FDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@@H]1CN1CCCCC1 68133173 UOEUTUFMYQKTOZ-OAHLLOKOSA-N 370.453 1.167 0 40 FDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1 25983435 HDWOAFUYCUQAGA-UHFFFAOYSA-N 362.451 1.859 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16034086 ONMRKVRBYOXMLX-WVNJSLPRSA-N 361.829 1.880 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)Cc2ccccc2OC)c(=O)[nH]c1=O 7764521 ULJZAIWPMCCXTN-UHFFFAOYSA-N 374.441 1.523 0 40 FDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@H](CCSC)C1=O 8129655 URSDGSLIBSOTCS-NSHDSACASA-N 351.428 1.616 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)n2N)n1 18806770 AMICLNXLIXJSSL-LLVKDONJSA-N 361.431 1.357 0 40 FDAB COc1ccc(NC(=O)CCc2nnc3ccc(OC(C)C)nn23)cn1 72403793 OKMRHRPWPIBGGY-UHFFFAOYSA-N 356.386 1.886 0 40 FDAB CNC(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 73648127 UHRDQQCNOOMRHL-VQIMIIECSA-N 372.513 1.224 0 40 FDAB CCOC(=O)N(C)CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 95350435 RSKGRXOBYADSOD-UHFFFAOYSA-N 366.437 1.152 0 40 FDAB O=C(Nc1ccccc1CN1CCC(O)CC1)c1cnn2c1OCCC2 556694663 BMSOSOPIOBXPIR-UHFFFAOYSA-N 356.426 1.875 0 40 FDAB CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 68191743 SWWSWLWLYZUWEH-LBPRGKRZSA-N 359.879 1.171 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn2C1 306139322 SURHMDZDJUKTOV-CQSZACIVSA-N 366.487 1.281 0 40 FDAB O=C(Cn1nc(-n2cccn2)ccc1=O)NCCc1c[nH]c2ccccc12 70655879 NYRZZOVVUSCBSG-UHFFFAOYSA-N 362.393 1.269 0 40 FDAB O=C(CCc1ccccc1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 39985494 XRYNDUOBPNEFEV-OAHLLOKOSA-N 370.902 1.604 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 78706799 WXJWPKMRYMZSCR-UHFFFAOYSA-N 355.369 1.973 0 40 FDAB Cn1cncc1C(=O)N1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1 72478189 IAIGXITYEXBNGL-UHFFFAOYSA-N 359.430 1.630 0 40 FDAB C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222927142 DMGAEEXBWZJQCX-HNNXBMFYSA-N 374.412 1.730 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106784 DUQILOWASGLXEP-OAHLLOKOSA-N 352.456 1.714 0 40 FDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 21699376 NHIDGNYJXTYZKW-UHFFFAOYSA-N 367.471 1.302 0 40 FDAB CCN1C(=O)[C@H]2CN(C(C)=O)C[C@H]2C12CCN(C(=O)c1ccncc1)CC2 96143641 SXMADPGDRJDCDO-DLBZAZTESA-N 370.453 1.013 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159425 XOLMDVWEDRPCQQ-FQEVSTJZSA-N 350.422 1.670 0 40 FDAB CN(C)C1CCN(C(=O)c2nc(-c3cn(C)cn3)n3ccccc23)CC1 96266846 DQAPMZSCXJYMEA-UHFFFAOYSA-N 352.442 1.901 0 40 FDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 96215002 STHAJBYDGZMPIN-KRWDZBQOSA-N 366.439 1.446 0 40 FDAB O=C(c1cnccn1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106096 MSXBOQNZOGEEFD-INIZCTEOSA-N 354.410 1.962 0 40 FDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2cccc3c2n(c1=O)CC3 95480823 BPXJDGBWNLYZNX-ZDUSSCGKSA-N 353.378 1.990 0 40 FDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1cccnc1 247866708 OUTGPOMWWNODMV-IBGZPJMESA-N 369.469 1.768 0 40 FDAB O=S(=O)(c1cccnc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247302554 FHFLRORLTXFZDC-AWEZNQCLSA-N 361.423 1.478 0 40 FDAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(S(C)(=O)=O)CC1 257310101 UDRNUDBAJJNVPN-UHFFFAOYSA-N 368.484 1.532 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257263730 LREJDTOLYUGFNF-AWEZNQCLSA-N 353.386 1.312 0 40 FDAB Nc1nccnc1[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CCO1 257254818 KEUPKYDXSZWXBH-CQSZACIVSA-N 354.414 1.268 0 40 FDAB CCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(Cl)s2)CC1 283504628 FZIXHIMRJQOWPD-UHFFFAOYSA-N 350.893 1.874 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(-c4nc(=O)o[nH]4)c3)C2)n[nH]1 612401946 YBKYTSPFFIDXEA-ZDUSSCGKSA-N 354.370 1.476 0 40 FDAB CCC(=O)N1CCCN(C(=O)CCc2nc(O)c3ccccc3n2)CC1 615091462 WJIDPVRSRJZWJU-UHFFFAOYSA-N 356.426 1.739 0 40 FDAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)O)C3CC3)CC2)cc1 635014753 GLQXZUALYUMWBS-KRWDZBQOSA-N 366.483 1.809 0 40 FDAB C[C@@H]1O[C@H](C)[C@@H](C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1C 637178857 QCNRMVMZRZAZPA-JFILPPLUSA-N 354.472 1.959 0 40 FDAB CCNC(=O)N1CC[C@H](NC(=O)c2cccc(Nc3ncccn3)c2)C1 675503889 SNZIIOCKHQEJMG-HNNXBMFYSA-N 354.414 1.754 0 40 FDAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)C2(C)CC2)CC1 585294301 WHLCZUQKKYVSAA-UHFFFAOYSA-N 366.458 1.207 0 40 FDAB O=C(C1CC(O)C1)N1CC[C@@]2(C1)CN(Cc1ccccn1)c1cccnc12 585106385 SYEXSSLHWJKRQG-AEJJIKPWSA-N 364.449 1.738 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NC[C@H]1COc2ccccc2O1 5170129 BIKBZEOHTFUHNW-ZDUSSCGKSA-N 371.345 1.528 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)s2)c1 12934886 LHSCAQQMVOUHMR-UHFFFAOYSA-N 360.844 1.696 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 19577145 STPJYZUYPANPCI-INIZCTEOSA-N 357.389 1.921 0 40 FDAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)[C@H]1CCCO1)CC2 19711255 IKFOLJNJOVGWJE-MRXNPFEDSA-N 359.474 1.391 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC1CC1)CC1(CCN(C)CC1)O2 19218413 YRPMBEPONZHTQE-HNNXBMFYSA-N 371.481 1.961 0 40 FDAB CCc1nnc2ccc(N3C[C@H]4CN(c5ncnc(C)c5C)C[C@@H]4C3)nn12 1888897433 BSSVYJLMRWECDG-GJZGRUSLSA-N 364.457 1.666 0 40 FDAB Cc1cc(CN2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)no1 1115931922 IYQCCVJNRWJHRT-UHFFFAOYSA-N 360.439 1.640 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888899166 PUGOLKXQANAUBV-GASCZTMLSA-N 372.450 1.168 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CCC[C@]4(COc4ncc(F)cn4)C3)ncnc21 1888903946 LITXHQSRJWHYDV-KPZWWZAWSA-N 369.404 1.978 0 40 FDAB O=C([C@@H]1CCCN(Cc2nnc(C(F)(F)F)o2)C1)N1CCSCC1 1889104387 JZPUIOXUHYYNMI-SNVBAGLBSA-N 364.393 1.876 0 40 FDAB Cc1cc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)nccn2n1 1889205708 VIHAPGZMAIDDGR-UHFFFAOYSA-N 361.413 1.340 0 40 FDAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-n2cncn2)cc1 21129046 HXBKSKHOYMNJDM-UHFFFAOYSA-N 370.438 1.808 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840201 JAVCQWISXYDNMN-HXUWFJFHSA-N 368.437 1.698 0 40 FDAB CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1cc(N)ncc1Br 694116245 IYVAXPYODWLLEV-QMMMGPOBSA-N 362.249 1.076 0 40 FDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cccn(C)c4=O)CC3)O2)n1 1565542951 MMPDYUPYKXZAIT-AWEZNQCLSA-N 358.398 1.603 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)COCCN(c1cccnc1)C2 1565552820 XYJNSGAQHXURQX-PIIMJCKOSA-N 357.454 1.419 0 40 FDAB COc1cc(NC(=O)CCCC(=O)OC[C@@H]2CCCO2)nc(OC)n1 4499380 FGVNEDJRFHIFRQ-NSHDSACASA-N 353.375 1.325 0 40 FDAB CCOC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 4519463 SMCLTRGTIVZCBE-CQSZACIVSA-N 367.448 1.942 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](Oc2cnccn2)C1 225477855 DFJVYTNPADJQEB-AWEZNQCLSA-N 361.423 1.644 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccco2)CC1 575414260 PPPZEPIERDIQFU-UHFFFAOYSA-N 364.427 1.024 0 40 FDAB Cn1ccc2ccn(CCNS(=O)(=O)c3ccc4c(c3)CCO4)c(=O)c21 575617312 NQJFMQWPBMGDTB-UHFFFAOYSA-N 373.434 1.253 0 40 FDAB CCOC(=O)c1sc(NC(=O)c2ccc(-n3cncn3)nn2)nc1C 96097906 DZWIALURMSQUEV-UHFFFAOYSA-N 359.371 1.251 0 40 FDAB CC(C)[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)O 36579955 NOEYHTAPSVFRQI-MRXNPFEDSA-N 372.425 1.745 0 40 FDAB C[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N(C)c1ccccc1 40108037 GBVZQVYQMAWIAD-HOCLYGCPSA-N 353.488 1.442 0 40 FDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2cccc(F)c2)n1 40286475 CHTFYLIOJLGEBS-UHFFFAOYSA-N 370.340 1.817 0 40 FDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN([C@H](C)C(=O)NC2CC2)CC1 22136605 DSMWBSOUFRYCCY-JKSUJKDBSA-N 364.534 1.499 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)COc2cc(OC)ccc2C(N)=O)c1C 22743562 WHMWSVZDLFNWMS-UHFFFAOYSA-N 360.366 1.787 0 40 FDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462453 KOCVNBNBJZXAAT-CQSZACIVSA-N 366.425 1.479 0 40 FDAB COCCn1cc(C(=O)Nc2nnc(COC)s2)c2ccccc2c1=O 71288070 QTDDKMSUADHFBV-UHFFFAOYSA-N 374.422 1.898 0 40 FDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(OC)c1 1432454 IUCDENRQHWGVAI-ZIAGYGMSSA-N 364.427 1.926 0 40 FDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(=O)NC1CCCC1 12526513 UKTHXFRICHCOST-GHMZBOCLSA-N 360.414 1.975 0 40 FDAB O=C(NCCC1=CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 25183650 JKUJFSIBMVXGQB-CQSZACIVSA-N 367.471 1.159 0 40 FDAB CSCC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc2ccccc2[nH]1 12540265 RHEMFVZRVFYTEW-CYBMUJFWSA-N 373.438 1.024 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 6818417 WAPUKYIFEIIUBZ-UHFFFAOYSA-N 354.457 1.953 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@@H](C)O1 25826450 NJDBLHUUNOIDFY-BRWVUGGUSA-N 373.497 1.905 0 40 FDAB COc1ccc2nnc(CCCC(=O)N=c3[nH]c4ccccc4[nH]3)n2n1 71285176 GSPWKNKLDGHLIU-UHFFFAOYSA-N 351.370 1.393 0 40 FDAB Cn1cc(S(=O)(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1C(N)=O 57021835 QQMFCETVKCEMGN-ZDUSSCGKSA-N 353.831 1.743 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1CN1CCOCC1 26358103 ZHNWOFQJBZOAQY-UHFFFAOYSA-N 365.455 1.602 0 40 FDAB CCc1nc2ccccc2n1CC(=O)N1CCN(CC(=O)NC2CC2)CC1 35334107 JEHMIXRKHZPZGN-UHFFFAOYSA-N 369.469 1.022 0 40 FDAB O=C(CN1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1)NC1CC1 35326448 SCUNCPYJHSRQCY-UHFFFAOYSA-N 371.416 1.048 0 40 FDAB O=C(c1cncnc1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108534753 WXDYLKHSFMKUML-HNNXBMFYSA-N 354.414 1.533 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCCc1ccccc1 57638179 MOHKWJLZSOTRJV-UHFFFAOYSA-N 366.465 1.877 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)NCCNC(=O)Cc2cccc(F)c2)C1 58180094 WJIORENGQMERBE-ZDUSSCGKSA-N 357.451 1.051 0 40 FDAB CCN1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1=O 58341688 KEAHRMWWYNWDHR-DOTOQJQBSA-N 363.433 1.184 0 40 FDAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1 11010671 WAFRVAUNLTVVAP-GHMZBOCLSA-N 359.831 1.953 0 40 FDAB COC(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)s1 11181583 NZDFWMXXUUKJSV-UHFFFAOYSA-N 361.383 1.007 0 40 FDAB Cc1nc2cc(C3CCN(C(=O)c4cnccn4)CC3)nn2c(O)c1C 100137283 ORLDSEOWSGPGST-UHFFFAOYSA-N 352.398 1.862 0 40 FDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29193340 HEGKKWNAYFAOLF-OAHLLOKOSA-N 370.519 1.239 0 40 FDAB C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)C1 36892259 LVUKMOSWBAEDTD-ZDUSSCGKSA-N 368.455 1.337 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C2=O 2649437 XDMMFHIIIHCUAP-BBATYDOGSA-N 358.398 1.225 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 107714610 MPDGXJQOVDZDJP-UHFFFAOYSA-N 358.460 1.213 0 40 FDAB CN1C(=O)N(CN2CCN(c3ccccn3)CC2)C(=O)C12CCCCC2 12745714 AAZBZTLAFVZTDG-UHFFFAOYSA-N 357.458 1.758 0 40 FDAB COc1ccc2nc(NC(=O)CSc3nnc(C)n3N)sc2c1 3370666 ZZLDGCWUWXASNS-UHFFFAOYSA-N 350.429 1.649 0 40 FDAB Cn1ccnc1[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 23774594 LPFQHKNRUPTMPQ-KRWDZBQOSA-N 359.393 1.915 0 40 FDAB CCN(C(=O)CSc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 3520667 XCSTZOLDDZBFMW-LLVKDONJSA-N 354.453 1.956 0 40 FDAB CCCCN1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)C(C(=O)OC)=C1C 9134715 WYLBERWLUYRCHQ-OAHLLOKOSA-N 362.348 1.903 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3F)n2N)C[C@@H](C)O1 13146403 GYIHWFLEJUGUQN-PHIMTYICSA-N 365.434 1.526 0 40 FDAB O=C(CNC(=O)c1ccccc1)OCC(=O)N1CCc2ccccc2C1 5061394 MGPMLYAILZEQTC-UHFFFAOYSA-N 352.390 1.545 0 40 FDAB C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(F)cc1 13985556 ZLCLEZMCNVLZEE-MRVPVSSYSA-N 370.178 1.316 0 40 FDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(COC1=O)N2 4495885 OAMNHZZRDZNOCH-ZDUSSCGKSA-N 353.378 1.325 0 40 FDAB Cc1[nH]c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)c(C)c1C(=O)OC(C)C 9314019 UGQMEILJEHKCOW-NSHDSACASA-N 365.386 1.294 0 40 FDAB Fc1cccc(-n2nnn(CN3CCN(c4ncccn4)CC3)c2=S)c1 14114550 QDIHNHPEDRXLPE-UHFFFAOYSA-N 372.433 1.507 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)NCCc2cccs2)cc1 21911685 IABOKDNMLPTPQE-UHFFFAOYSA-N 352.481 1.948 0 40 FDAB CNC(=O)c1ccc(C(=O)NS(=O)(=O)[C@H]2CC3CCC2CC3)cn1 408494792 NLKSOIPIKBOQDD-MGULZYLOSA-N 351.428 1.080 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2N)C[C@H](C)O1 6945951 PMTVIUXQSNSNLF-UWVGGRQHSA-N 353.473 1.448 0 40 FDAB COCc1cc(=O)n(CC(=O)NCc2ccc(C)cc2)c(N2CCCC2)n1 67256876 UMOPBXLMHSBXMH-UHFFFAOYSA-N 370.453 1.615 0 40 FDAB CC[C@@H](C)NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300865 AQXAGRAULVFCPU-GFCCVEGCSA-N 361.417 1.807 0 40 FDAB O=C(NCCc1cccs1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842467 RQXHFZSKHAEKBV-UHFFFAOYSA-N 364.448 1.787 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 7645716 IMZWLOQJRSRIHB-UHFFFAOYSA-N 373.434 1.431 0 40 FDAB C[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 28879156 XOANZKPCNNJQJO-NTZNESFSSA-N 360.426 1.649 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C[C@@H]1C 20448919 SUKNZUKMCRBZBO-WFASDCNBSA-N 352.456 1.696 0 40 FDAB NC(=O)c1cnn(CCc2nc3sc4c(c3c(=O)[nH]2)CCSC4)c1 97083572 AIEVPWUYQSBTTN-UHFFFAOYSA-N 361.452 1.312 0 40 FDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3CC(=O)N(C)C)c2C)c1 95999879 JJRJOESBERPFOP-GOSISDBHSA-N 372.469 1.959 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)cc1 22913850 KGCXFWNUCFYYJI-SFHVURJKSA-N 372.513 1.952 0 40 FDAB Cc1nnc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)s1 306135085 OHKDKVRLXRANHM-JHJVBQTASA-N 350.469 1.789 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)NCC(C)C)CC2)c1C 22783281 JOLADJFSCDEPEN-UHFFFAOYSA-N 360.502 1.632 0 40 FDAB CC(C)(C)NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 65213939 XYXBLYCMKRQCCB-UHFFFAOYSA-N 369.487 1.328 0 40 FDAB CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704729 RXSRNMZTCQPAGV-STQMWFEESA-N 370.471 1.917 0 40 FDAB O=C(COc1ccc(F)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1 32818269 JWANXDYOOGLELN-UHFFFAOYSA-N 357.341 1.895 0 40 FDAB O=C(O)C1(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 514731402 VTOUEWJVIYJSGJ-UHFFFAOYSA-N 358.847 1.511 0 40 FDAB Cc1cnn(-c2ccc(S(=O)(=O)N3CC[C@H](N)C[C@H]3C)cc2F)c1 521394644 MSFUVFGBDIHKSE-OLZOCXBDSA-N 352.435 1.820 0 40 FDAB C[C@@H]1CN(C)C[C@H](C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)O1 527546189 GTNGVMMISUYMNX-DGCLKSJQSA-N 354.414 1.621 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1 36575684 HHNBZVAUKUYJQQ-MRXNPFEDSA-N 351.366 1.176 0 40 FDAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CN2CCCC2)n1 72378800 PZQLMTDIYAWKAJ-INIZCTEOSA-N 354.458 1.984 0 40 FDAB O=C(c1cccs1)N1CC(C(=O)N2CCN(Cc3ccccn3)CC2)C1 62022614 HKQYIBUUHMDLSU-UHFFFAOYSA-N 370.478 1.560 0 40 FDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)NCCCn2cccn2)nn1 75164070 GYEVMPOIKROGAT-MRXNPFEDSA-N 370.413 1.037 0 40 FDAB C[C@H]1CN(CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@H](C)O1 329426481 JCYNQABZLBTIKI-GJZGRUSLSA-N 350.463 1.151 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1OC 47080900 PNGUAUVQAQAHPL-GFCCVEGCSA-N 356.444 1.383 0 40 FDAB CN(C(=O)CN1C(=O)N=C(O)C1(C)C)[C@@H]1CCN(Cc2ccccc2)C1 329991208 JSZNADXZQVLSCX-OAHLLOKOSA-N 358.442 1.890 0 40 FDAB CC[C@@H](C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 583621756 JKHMBMCOPIMIJN-ZIAGYGMSSA-N 355.442 1.799 0 40 FDAB COc1ccc(CC(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1F 580236775 LXKZCDFLIYQDFQ-CQSZACIVSA-N 361.417 1.548 0 40 FDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107512 LIPKTJUSOHNQRV-LPHOPBHVSA-N 354.410 1.852 0 40 FDAB Cn1nnc(-c2cccc(NC(=O)CCCc3nnc4ccccn34)c2)n1 96117931 BEBRBDDPQDZAAM-UHFFFAOYSA-N 362.397 1.881 0 40 FDAB COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C(=O)NCC[C@H]2C)C1 249381548 BERWYFHREGPXLH-CKEIUWERSA-N 360.458 1.345 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cccnc1OC)C2 247823445 DSHGNOZZNLRDKL-HNNXBMFYSA-N 369.487 1.011 0 40 FDAB CN1CCCC[C@@]1(C)C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257276094 NSHYUPAXHFIQFY-IRXDYDNUSA-N 359.461 1.555 0 40 FDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257271487 MYOBFITXVPVRFZ-OAHLLOKOSA-N 357.462 1.537 0 40 FDAB COCC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C(C)=O)n(C)n2)CC1 257290062 QBKZKJHRQXMBQH-WKILWMFISA-N 364.490 1.777 0 40 FDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(COc2ccc(F)cc2)on1 257344397 ZXAVQGIXIWWACR-FVQBIDKESA-N 350.346 1.397 0 40 FDAB CC(C)NC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381784 ODPAZNLNZYUERB-QGZVFWFLSA-N 372.469 1.016 0 40 FDAB biogenic,in-vitro CNC(=O)[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 666153271 RRQPTMSZINWTKB-SFHVURJKSA-N 373.501 1.461 0 40 FDAB Cc1nnc(CN(C)C(=O)Nc2ccn(CCN3CCOCC3)n2)s1 666124511 JXSGZGPFCLJATA-UHFFFAOYSA-N 365.463 1.039 0 40 FDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1cccs1)C2 585103179 LPTAOVLYWZFSPL-CYBMUJFWSA-N 365.480 1.606 0 40 FDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1csnn1 585112722 UMFPWZGPDAAKTL-HNNXBMFYSA-N 355.423 1.827 0 40 FDAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NC[C@@H]1CCCO1 75156413 JZNZUNBACIAJJB-INIZCTEOSA-N 356.426 1.355 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)NCc2cccs2)CC1 585322532 REDTXVWEHAOVQZ-UHFFFAOYSA-N 368.484 1.630 0 40 FDAB CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1 603154284 KDBAZDHZSCZYKT-LRRUEIKOSA-N 356.426 1.553 0 40 FDAB Cn1ccnc1COc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 96003380 WISFCTXSEXHRIX-AWEZNQCLSA-N 368.437 1.740 0 40 FDAB O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)c1ccco1 15674469 QSAPVDWHHFBRTB-UHFFFAOYSA-N 364.408 1.862 0 40 FDAB COc1cc(CCC(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)on1 19550403 BHFKCCRDYGVUEV-LBPRGKRZSA-N 368.393 1.868 0 40 FDAB CN(C)CCn1nc([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)c2cccnc21 19583130 PPTHBNQBGGWORX-HOCLYGCPSA-N 357.458 1.488 0 40 FDAB Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc([C@@H]2CCCN2)n1 19697998 VASIHLVMCITSLB-SFHVURJKSA-N 357.502 1.559 0 40 FDAB O=C(NC[C@H](O)Cn1ccccc1=O)C1(c2ccccc2)CCOCC1 206889380 JIOZJYBQXCFJJJ-KRWDZBQOSA-N 356.422 1.074 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c(C)c1 16849965 KTMTWDXXIVPTDC-UHFFFAOYSA-N 365.455 1.351 0 40 FDAB O=C(CNC(=O)OCc1ccccc1)NCC(=O)n1nnc2ccccc21 261828213 GRRPHHOVBGNVIG-UHFFFAOYSA-N 367.365 1.114 0 40 FDAB Cc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1C 18265374 RWANLFZODPUGJV-UHFFFAOYSA-N 360.801 1.587 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C2=O 2649438 XDMMFHIIIHCUAP-ADLMAVQZSA-N 358.398 1.225 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3scnc3C)CC2)OC[C@]1(C)O 2037849791 KOPVIPSCGIGDBT-IRXDYDNUSA-N 367.515 1.804 0 40 FDAB C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 1565553388 XAZICDMUHVYQJJ-AKCHCHLHSA-N 364.486 1.604 0 40 FDAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 1565554015 OLLZFBWODATCFO-WKILWMFISA-N 372.531 1.713 0 40 FDAB O=C(NCCCO)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305663 FMYWOARJVXRTPZ-MRXNPFEDSA-N 373.478 1.467 0 40 FDAB COc1ncccc1CN1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772806 HGJCZGYVKJZIGY-UHFFFAOYSA-N 355.442 1.510 0 40 FDAB COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1 40155695 HGGDEEAZEORMMH-HNNXBMFYSA-N 373.453 1.935 0 40 FDAB CCCn1nnnc1CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40120037 RBNFWDLWDCDEGY-UHFFFAOYSA-N 366.828 1.834 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nccs2)CC1 30981396 CZQJZAZIVXEIJP-UHFFFAOYSA-N 365.480 1.899 0 40 FDAB CCOC(=O)c1cnc2ccccc2c1N1CCN(CC(=O)N(C)C)CC1 50928759 WWECTCIPZSZJRA-UHFFFAOYSA-N 370.453 1.622 0 40 FDAB Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)OCCO4)NCC2=O)cc1 32632947 VQHULDSHXWHRNX-UHFFFAOYSA-N 366.377 1.655 0 40 FDAB NC(=O)Nc1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 21366050 PTVDRKSOTLYLJH-UHFFFAOYSA-N 366.377 1.971 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 21702727 ZUCFGAKHKBKGJT-IFXJQAMLSA-N 372.377 1.689 0 40 FDAB C[C@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32975607 XJDLRSOQIBBZBA-INIZCTEOSA-N 366.465 1.977 0 40 FDAB Cc1cc(=O)n2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1 32907709 OWSWWQMFYCCBJQ-UHFFFAOYSA-N 351.432 1.517 0 40 FDAB NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 794240 SHGIITXJVZZCPQ-CYBMUJFWSA-N 353.378 1.542 0 40 FDAB Cc1cc(C)cc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c1 23249255 DICHRCDZGUMRSV-UHFFFAOYSA-N 358.486 1.482 0 40 FDAB CCOC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 23381672 QVXIPYQRQFENAN-FZKQIMNGSA-N 351.447 1.720 0 40 FDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(Oc2ccccc2)cc1 938862 ZDXYTQVDGUQIPU-UHFFFAOYSA-N 370.390 1.981 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)cc1 940910 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372.450 1.884 0 40 FDAB COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186381 IMDZHVSIBMYYHW-CLCXKQKWSA-N 363.385 1.854 0 40 FDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccn(COc2cccc(Cl)c2)n1 28575310 CMWGVIQVHZPZJL-GFCCVEGCSA-N 369.830 1.490 0 40 FDAB CCN1C[C@H]2CCN(C(=O)c3cccc(OC)c3)CC[C@H]2S1(=O)=O 107183873 ZXUPURYTJBPMTO-GDBMZVCRSA-N 352.456 1.581 0 40 FDAB O=C(NC[C@@H]1COCCO1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 55847291 JXZLVTBLPQANFS-SNVBAGLBSA-N 353.318 1.125 0 40 FDAB CSc1ncc(Cl)c(C(=O)NCc2ccc(-n3cncn3)nc2)n1 46714234 YJILSBVRMQWSBA-UHFFFAOYSA-N 361.818 1.758 0 40 FDAB Cn1cc([C@H]2C[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 95424426 SZBFGYAIZRALJC-BFYDXBDKSA-N 352.394 1.817 0 40 FDAB CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCC(C(N)=O)CC1 57669795 SOPVSKLLCHFUCI-HNNXBMFYSA-N 360.437 1.854 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)cnc21 12830075 SGNJUFRWHCWLOU-UHFFFAOYSA-N 358.427 1.494 0 40 FDAB COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@](C)(O5)[C@@H]1O 100393643 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OKCKFYVSKSEMSD-QGZVFWFLSA-N 357.454 1.773 0 40 FDAB C[C@@H](NC(=O)c1ccc(-c2nnn[nH]2)cc1)c1ccc(-n2cncn2)cc1 14141937 ILKLUIBYGKDPIS-GFCCVEGCSA-N 360.381 1.938 0 40 FDAB CN(C)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccco1 14246067 UDMIVODXWRWQCS-ZDUSSCGKSA-N 352.416 1.351 0 40 FDAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCc2cccs2)CC1 4696039 UENGVWIIDWNGPW-UHFFFAOYSA-N 352.456 1.946 0 40 FDAB CC(C)CCC(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306127309 FUYAWZWYZXGDLE-HNNXBMFYSA-N 366.483 1.912 0 40 FDAB Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 96231771 HDLLIRGOHJTLCM-HNNXBMFYSA-N 374.828 1.805 0 40 FDAB O=C(C1CC1)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CCN(CC2CC2)C1 306128738 HJGZUXYQDOULFI-NRFANRHFSA-N 368.481 1.295 0 40 FDAB Cn1c(=O)c2c(ncn2Cc2csc(-c3ccsc3)n2)n(C)c1=O 7318402 RYCYBYUCEKLDHM-UHFFFAOYSA-N 359.436 1.667 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1F 7675893 ZNEVFQBJOIMHHX-UHFFFAOYSA-N 359.288 1.997 0 40 FDAB Cc1cc(C)nc(SCC(=O)OCC(=O)NC(=O)c2ccccc2)n1 7786810 DLBSYIZSPXLXAW-UHFFFAOYSA-N 359.407 1.685 0 40 FDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71802763 ZDIHOIMGHFHYPR-GFCCVEGCSA-N 374.393 1.672 0 40 FDAB NC(=O)c1ccccc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 18149072 BEVRHVZLMYUEFX-BETUJISGSA-N 355.394 1.455 0 40 FDAB O=C(NCCCN1CCCCCC1=O)NCc1ccc(-n2cncn2)cc1 69973754 MCTXSHIVJPQCRT-UHFFFAOYSA-N 370.457 1.859 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 95946546 AFIJFWGAEBYCCA-GFCCVEGCSA-N 369.468 1.382 0 40 FDAB COC(=O)CN1C(=O)N/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 408549652 WHNYAQQVRYNCFD-OQLLNIDSSA-N 370.361 1.923 0 40 FDAB C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N1CCOCC1 20896609 OAQRDYMSRNDCLJ-JTQLQIEISA-N 351.407 1.137 0 40 FDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 408595565 QTIDNCUMOVEBLE-AWEZNQCLSA-N 362.451 1.987 0 40 FDAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1ccc(F)cc1 56999886 LINPKOCAQOJVAQ-UHFFFAOYSA-N 373.432 1.035 0 40 FDAB C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)C[C@@H](C)O1 409412765 AGVNXTGLCTWUGG-GUTXKFCHSA-N 360.458 1.775 0 40 FDAB Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCc2cn(C)nc2C(F)(F)F)n1 527158149 YORDTPNIUGENNZ-NXEZZACHSA-N 374.323 1.148 0 40 FDAB CCOC(=O)Cn1nnnc1CN1CCN(c2cc(C)ccc2C)CC1 35290660 SWFOHNWCAVBHPR-UHFFFAOYSA-N 358.446 1.175 0 40 FDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nn12 32093132 ZVFUVTKGBFHXKL-MRXNPFEDSA-N 350.426 1.966 0 40 FDAB CCOC(=O)N1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 225752230 WTIIIMIBDDMGGX-UHFFFAOYSA-N 361.373 1.441 0 40 FDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 222664402 VMLBIPOHZJLJLK-UHFFFAOYSA-N 351.790 1.719 0 40 FDAB CCc1nsc(N2CCCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)n1 333533482 JOKIUEULNLBUAI-UHFFFAOYSA-N 373.486 2.512 0 40 FDAB O=C(C[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCc1ccccn1 96208179 GYRWYKRGGVEFIO-YTQUADARSA-N 352.438 1.772 0 40 FDAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)CC[C@H]2CCCOC2)CC1 583623184 REWPHXKXXUOVKV-HZPDHXFCSA-N 354.447 1.507 0 40 FDAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCc2cnccc21 583620123 AUCIUPJRDXYBJM-KUHUBIRLSA-N 351.406 1.787 0 40 FDAB Cn1ccnc1CN1CCOC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 96240117 JZNWDPQNSFTQCZ-LJQANCHMSA-N 374.416 1.194 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CCCCC3)C2=O)cc1 96232585 VTQVDABZICDZEO-INIZCTEOSA-N 359.426 1.955 0 40 FDAB O=C(Cc1ccccn1)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159424 XOLMDVWEDRPCQQ-HXUWFJFHSA-N 350.422 1.670 0 40 FDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 96225899 ASEDOIATXKNBES-SFHVURJKSA-N 361.398 1.070 0 40 FDAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 248121803 KKVBVKAFQWTRBZ-AWEZNQCLSA-N 356.463 1.947 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@@H](CC(=O)NCC2CC2)C1 247912364 YTXPSSBZGUWKQZ-KRWDZBQOSA-N 355.442 1.760 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)ncn1 257241290 HXMGZQGUVJHAEC-MRXNPFEDSA-N 356.426 1.266 0 40 FDAB O=C(NC[C@]1(O)CCN(c2ccc(F)cn2)C1)c1cnc(C2CC2)nc1 257249622 JJCHUKAXSHYSRY-GOSISDBHSA-N 357.389 1.259 0 40 FDAB COCC(=O)N1CCC(Cc2nccnc2-c2c(C)nn(C)c2C)CC1 257335248 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AJGBTUYODBCVDL-OAHLLOKOSA-N 350.438 1.426 0 40 FDAB CCn1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cn1 12239415 TUBUSDLZTLQYMO-AWEZNQCLSA-N 366.443 1.213 0 40 FDAB O=C(c1nc[nH]n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888860254 HCGSSRWHRJHFRG-AOOOYVTPSA-N 352.320 1.427 0 40 FDAB Cn1cnc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1 1888880093 ZWTQBVLHLHTJST-UHFFFAOYSA-N 351.414 1.755 0 40 FDAB Cc1cnc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)nc1 1888930486 WZHCYSSLHGMPOY-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB O=C(c1cncnc1)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984971 UBENCTGIHOHPDG-HXUWFJFHSA-N 366.421 1.905 0 40 FDAB CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 1614939043 KZQRHXGWWRGQTI-SFHVURJKSA-N 365.499 1.473 0 40 FDAB O=C(CCc1cncnc1)N1C[C@@H]2CCN(c3ccsc3)C(=O)[C@H]2C1 1565542569 AYBKKODXEPWWAN-HOCLYGCPSA-N 356.451 1.982 0 40 FDAB Cc1ncnc(OCC2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1C 1565519224 IRJBUKNSIBPHMS-UHFFFAOYSA-N 351.432 1.296 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)o2)NC(=S)N[C@]1(O)C(F)(F)F 4192792 TYGJYWAOSBTOMZ-HOTUBEGUSA-N 352.334 1.537 0 40 FDAB Cn1cc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O 4338514 KBQDGGPODICPAQ-UHFFFAOYSA-N 352.412 1.149 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 4359900 TWXCSPXBHRFRAA-CYBMUJFWSA-N 374.422 1.261 0 40 FDAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)C1CC(F)(F)C1)OC2 2055754564 BAQKJSKGYUMTIY-JTQLQIEISA-N 356.373 1.152 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1nccnc1-c1ccoc1 575619316 CYLYFBRPFWDSDX-UHFFFAOYSA-N 361.361 1.763 0 40 FDAB COC(=O)CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 40050984 QOWDANZXWYEGPT-UHFFFAOYSA-N 362.382 1.546 0 40 FDAB Nc1nc(Cl)cc(N2CCN(c3nnnn3-c3ccccc3)CC2)n1 30520513 JKHBNRRFFJAZAV-UHFFFAOYSA-N 357.809 1.015 0 40 FDAB CN1CCN(CCCNC(=O)c2nc(-c3cccc4[nH]ccc34)no2)CC1 20677419 YCNDZUSWTPKYLY-UHFFFAOYSA-N 368.441 1.585 0 40 FDAB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 20745953 RZDUMSSQIKJQRJ-SNVBAGLBSA-N 350.176 1.871 0 40 FDAB O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)N1CCCCC1 32443515 JBXPXHQKDRXLGF-UHFFFAOYSA-N 353.366 1.843 0 40 FDAB CCCCNC(=O)CN1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 32744683 ZSKPJMXJPZVEKQ-UHFFFAOYSA-N 357.454 1.523 0 40 FDAB COc1cccc(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 32818251 BMKYONREXVDCRB-UHFFFAOYSA-N 353.378 1.928 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)C(=O)NC2CCCCCC2)CC1 22136602 DSMWBSOUFRYCCY-CVEARBPZSA-N 364.534 1.499 0 40 FDAB C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)n1cccn1 41932926 QLVCROYJPIWPDP-LBPRGKRZSA-N 364.247 1.950 0 40 FDAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NC[C@H]1CCCO1 22780182 TWNRTSWTXMHAGP-OAHLLOKOSA-N 374.510 1.709 0 40 FDAB CN(C)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 947815 AERIMUBSDFJCHT-AWEZNQCLSA-N 350.465 1.952 0 40 FDAB O=C(c1ccccc1)N1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 23535483 QAMGFCYCZSXGLG-UHFFFAOYSA-N 369.465 1.620 0 40 FDAB COc1cccc(NC2=NN/C(=c3\ccc4c(c3)CC(=O)N=4)CS2)c1 104981464 JJJRVUMGHBHUFB-LFIBNONCSA-N 352.419 1.225 0 40 FDAB O=S(=O)(N1CCCCC1)N(CCO)c1ccc(Br)cc1 79104349 VYUOBMLXOUVRFG-UHFFFAOYSA-N 363.277 1.979 0 40 FDAB Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n(N)c1=O 2455508 NELCABNNRKLCDL-UHFFFAOYSA-N 359.333 1.410 0 40 FDAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 25331124 WDYDBACCBXDKDJ-KBPBESRZSA-N 354.472 1.886 0 40 FDAB COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044047 BSOQQWLMYGZOQB-PBPUNXIFSA-N 369.373 1.526 0 40 FDAB CN(c1ccccc1C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 6356995 TUOJYZSTGJJRCS-UHFFFAOYSA-N 362.407 1.741 0 40 FDAB COc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 6784592 NGHRGWUNWWJJFS-UHFFFAOYSA-N 351.409 1.874 0 40 FDAB CN(Cc1ccc(OCC(=O)NCc2ccccn2)cc1)S(C)(=O)=O 7504560 LDDKOKUYJSLFRU-UHFFFAOYSA-N 363.439 1.168 0 40 FDAB O=C(CN1CCN(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1 57290069 ZTYLFXVMZUVXQB-UHFFFAOYSA-N 370.428 1.703 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3cccc(F)c3)nn2)CC1 57511740 HBQLGSFRLDSAAS-UHFFFAOYSA-N 361.377 1.757 0 40 FDAB CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 108696578 LYNKFGMKLXXCNN-ROUUACIJSA-N 357.454 1.666 0 40 FDAB CC(C)NC(=O)CN(C)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12552329 DRQJWQJDLABVAC-UHFFFAOYSA-N 374.470 1.131 0 40 FDAB O=C(c1cnc2ccccn2c1=O)N1CCN(Cc2ccsc2)CC1 58166592 VWTKQSJNSZERHM-UHFFFAOYSA-N 354.435 1.714 0 40 FDAB CN1CCC(CCNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1 58171685 UKHQLLCUOJLAET-OAHLLOKOSA-N 362.396 1.408 0 40 FDAB CNC(=O)NC(=O)CCn1cnc2cc(-c3ccccc3)sc2c1=O 58247565 QHSGWTBDFWGIDA-UHFFFAOYSA-N 356.407 1.971 0 40 FDAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(CC(=O)N2CCOCC2)no1 44920639 BIWJWTDGNAMGGE-AWEZNQCLSA-N 372.425 1.222 0 40 FDAB CCC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209617 KRDQOXFNLXLTNK-UKRRQHHQSA-N 352.456 1.980 0 40 FDAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1-n1cnnn1 58894457 LVQNYXQWCWJEPB-MRXNPFEDSA-N 356.361 1.965 0 40 FDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccn(C)n1)C=C2 95475118 JVPOYLLAZGWMRG-UHFFFAOYSA-N 356.382 1.431 0 40 FDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)Nc2cn[nH]c2)c1 95446629 LGZJFMIZYQLHLZ-UHFFFAOYSA-N 357.370 1.374 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 11916568 CTLDYIYWRANEKR-IBGZPJMESA-N 370.409 1.472 0 40 FDAB Cc1cc(C)cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12687836 KXEUBPMFEZTHOK-AWEZNQCLSA-N 363.439 1.407 0 40 FDAB CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(F)cc2)n(C)c1=O 12647729 JPFCOZYGHBARDH-LLVKDONJSA-N 357.389 1.844 0 40 FDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(F)c1 3315554 VQKCNFJBWQFYJZ-UHFFFAOYSA-N 360.341 1.560 0 40 FDAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12817350 RCLZBSPATQIGAQ-UHFFFAOYSA-N 371.349 1.669 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3430882 VSDBLNYYQVLOPT-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB CC(C)OCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 12900320 LAUKLSHXGRMBLC-UHFFFAOYSA-N 359.426 1.653 0 40 FDAB biogenic Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(OCC(N)=O)cc1 13006312 RDEIONOSOMKGOZ-UHFFFAOYSA-N 351.366 1.692 0 40 FDAB O=C1C[C@@H](C(=O)NCCc2ccccc2)NC(Nc2ccc(F)cc2)=N1 9227064 LDIGBNHKVQVQJQ-INIZCTEOSA-N 354.385 1.841 0 40 FDAB Cn1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(CC1CC1)C2=O 306135070 OGYKSUZASTVXBB-OXJNMPFZSA-N 356.470 1.775 0 40 FDAB Cc1nn(CCO)c(N)c1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 6051752 IUJVTRCQHOBIPP-AWEZNQCLSA-N 357.197 1.261 0 40 FDAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(C)(C)C 39985518 ZVEQCRIUMGBLSP-MRXNPFEDSA-N 363.458 1.968 0 40 FDAB CNC(=O)c1c(NC(=O)C[C@@H]2SC(=O)NC2=O)sc2c1CCCC2 4318568 DVFYFWBDXXZBNL-VIFPVBQESA-N 367.452 1.667 0 40 FDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1F 14072168 MEIYWQVAOABKTR-JTQLQIEISA-N 359.332 1.845 0 40 FDAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 14235860 BSEFTHWJFUNAAN-IFXJQAMLSA-N 360.410 1.740 0 40 FDAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(Cl)cc2F)CC1 6552187 KLIVMMCZRJZDHG-UHFFFAOYSA-N 355.797 1.889 0 40 FDAB COC(=O)[C@H]1NS(=O)(=O)c2ccc(Cl)cc2[C@@]1(O)c1ccccc1 67244938 VSAUTXCFBDZUPA-ZBFHGGJFSA-N 367.810 1.409 0 40 FDAB O=C(c1ccc2c(=O)n(C[C@H]3CCCO3)c(=O)[nH]c2c1)N1CCCCC1 67341840 HYHJJHZMJNTTHJ-CQSZACIVSA-N 357.410 1.495 0 40 FDAB CN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7675882 IGVQCETZEWNVBO-UHFFFAOYSA-N 351.362 1.739 0 40 FDAB Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc4cccnc34)CCO2)cn1 97012885 MSMDELQKYCRXJI-KRWDZBQOSA-N 372.450 1.872 0 40 FDAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1OC 20121119 AJRGEJXQRBXVBX-QGZVFWFLSA-N 374.489 1.782 0 40 FDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 306144771 ZOGCBYBKQNQKTK-CABCVRRESA-N 357.433 1.860 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408617817 DIJURJWCMLZSTN-UHFFFAOYSA-N 370.471 1.172 0 40 FDAB O=C1CCN(CC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)C(=O)N1 512390872 CBNTXSQVZFPUPV-INIZCTEOSA-N 353.781 1.679 0 40 FDAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 32641395 CMRBYJKSHXCXME-HIFRSBDPSA-N 353.440 1.115 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NCCCO 217579440 MHBXBXJPJCBOLN-UHFFFAOYSA-N 356.444 1.790 0 40 FDAB O=C(CCN1C(=O)COCC1=O)Nc1nnc(-c2ccccc2F)s1 36752479 AYZQXMKGUSVXOF-UHFFFAOYSA-N 364.358 1.058 0 40 FDAB COC(=O)[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058343 OXOYRJMYMCUJTE-BXUZGUMPSA-N 372.418 1.047 0 40 FDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 45947787 NSPQUYLMEUHMNF-UHFFFAOYSA-N 369.420 1.297 0 40 FDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@]1(O)CCc2ccccc21 75155772 WPTAVCWWEVIPJZ-LJQANCHMSA-N 358.825 1.906 0 40 FDAB CN(C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)[C@@H]1CCCC[C@H]1O 223642064 HKIOIZKUPUSARB-OAGGEKHMSA-N 354.472 1.381 0 40 FDAB COCCOCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40134435 CGPPUFQIBJVQMS-UHFFFAOYSA-N 361.364 1.848 0 40 FDAB CCCS(=O)(=O)N1CCO[C@]2(CCCN(Cc3ccccn3)C2)C1 96226754 HEJKEFZPKDAHGQ-KRWDZBQOSA-N 353.488 1.488 0 40 FDAB Cc1ccc(CN2CCO[C@@]3(COCCN(CCN(C)C)C3)C2)s1 96229386 AWYHNNIXIJOMKF-GOSISDBHSA-N 353.532 1.521 0 40 FDAB Cc1ncsc1CN1C[C@H]2OCCN(S(=O)(=O)C3CC3)C[C@H]2C1 96108054 IYNJVSPMBKYCIC-TZMCWYRMSA-N 357.501 1.076 0 40 FDAB Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)c1 239578950 DCDKBFZIJJHGPL-HAQNSBGRSA-N 355.395 1.018 0 40 FDAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(CCOC)C2 96055966 IEMQNPFBXOGONH-ICSRJNTNSA-N 361.486 1.805 0 40 FDAB C[C@H]1CCCCN1C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147326 USRSWLQTYLEZNQ-LBPRGKRZSA-N 360.439 1.679 0 40 FDAB O=S(=O)(c1ccccc1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247300342 DUMPKFTYPDHFJC-HNNXBMFYSA-N 374.466 1.758 0 40 FDAB O=C(c1cnccn1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 253615573 DJTVNIFVDUCBBG-AWEZNQCLSA-N 353.357 1.916 0 40 FDAB COc1ccccc1C(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1 257248589 JEIBWEXPYQCOCN-LJQANCHMSA-N 356.426 1.555 0 40 FDAB c1cc(C[C@H]2COCCN(Cc3ccnc(N4CCCC4)n3)C2)ncn1 257236601 HCXPQPWKPRRYAN-MRXNPFEDSA-N 354.458 1.558 0 40 FDAB CCC(=CC(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)OC)CCO2)CC 1775989966 AZMYAQXVALDSCK-HNNXBMFYSA-N 352.475 1.988 0 40 FDAB CO[C@@H]1CN(Cc2nc(-c3ccc(F)c(C)c3)no2)C[C@H]1c1cnn[nH]1 621318878 GJVVMLDZFKZKNG-SWLSCSKDSA-N 358.377 1.917 0 40 FDAB Cn1cc([C@H](O)CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 96096532 ROULHDWEOQGFRY-GOSISDBHSA-N 369.396 1.783 0 40 FDAB O=S1(=O)CC[C@@H](CNC(=S)NCCc2c[nH]c3ccccc23)C1 575421606 KCYBZIKKFAMMTN-LBPRGKRZSA-N 351.497 1.609 0 40 FDAB Cc1noc(C)c1CN1C[C@@]2(COCCN(c3cnccn3)C2)CC1=O 585104405 LVRUBDCETRCLAK-GOSISDBHSA-N 357.414 1.337 0 40 FDAB Cc1ccc(C[C@H]2CCN(C(=O)/C=C/CN3CCOCC3)C[C@H]2O)cc1 585290308 BJSPPPLNHKENTN-HNPUZTMESA-N 358.482 1.635 0 40 FDAB Cc1ccccc1C[C@@H](CO)CNC(=O)c1cnc(C2CCNCC2)[nH]1 685943214 XQMOAHIZBBSOCZ-OAHLLOKOSA-N 356.470 1.766 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)NCCc2ccc(Cl)cc2Cl)nn1 56970059 VZCPUHSEGFFVNI-UHFFFAOYSA-N 370.240 1.646 0 40 FDAB COC(=O)c1cccc(NC(=O)NCc2cccnc2-n2cncn2)c1 57996412 LEDDXUMQLLIWSE-UHFFFAOYSA-N 352.354 1.771 0 40 FDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c2cccnc12 547763759 FVPAAWBIVRGLIW-HNNXBMFYSA-N 364.453 1.898 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(Cc4ccc(C)o4)C[C@@H]23)n1 1549161142 DQILNZDZYWNABG-MRXNPFEDSA-N 369.425 1.582 0 40 FDAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cn1ccnc1)c1ccccc1O2 12221362 NWZASRJGPCGMRN-OXJNMPFZSA-N 368.437 1.904 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)C1CCOCC1 13268263 QHEOIPGKVNDXLE-UHFFFAOYSA-N 351.410 1.877 0 40 FDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2cccc3nsnc23)c1C 13689998 CTUVORTVPXHHKL-UHFFFAOYSA-N 358.427 1.779 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccccc2)CC1 17306792 USAPPEZREKHTME-UHFFFAOYSA-N 364.427 1.097 0 40 FDAB O=C(c1nc[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 19344407 IVZSYNOWXWUBHQ-JTQLQIEISA-N 356.411 1.636 0 40 FDAB CSCC[C@@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1cnnn1 19585974 IOFYBSADHRZCHC-HOTGVXAUSA-N 361.471 1.740 0 40 FDAB CSCC[C@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1cnnn1 19585976 IOFYBSADHRZCHC-CVEARBPZSA-N 361.471 1.740 0 40 FDAB Cn1cnc(S(=O)(=O)Nc2ccc([C@@H]3CCc4nncn4C3)cc2)c1 19699176 HNYZDKUGJCANMF-CYBMUJFWSA-N 358.427 1.542 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)cc1)C2=O 8769174 DHEVYAXUJLPNBK-UHFFFAOYSA-N 362.405 1.561 0 40 FDAB Nc1nc(CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)nc2ccccc12 18325552 KBPUARBNZHVENE-JTQLQIEISA-N 358.427 1.568 0 40 FDAB Cc1nn(C)c(C)c1NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 7087442 BSBGZSUZBPOBDO-UHFFFAOYSA-N 369.381 1.079 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 20902634 WPGKJMIGAOMTPF-OAHLLOKOSA-N 353.440 1.647 0 40 FDAB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 25617584 CCRDGJXXIXFTLA-AWEZNQCLSA-N 365.441 1.955 0 40 FDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1nccc2ccccc12 244975184 IFNZRJCTJJEHIR-UHFFFAOYSA-N 363.352 1.909 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 245130832 UZUWUSVBHIEVFK-CYBMUJFWSA-N 356.473 1.082 0 40 FDAB O=C(Cn1cccn1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037841120 WUPQJBLYYRTMDS-SFHVURJKSA-N 358.373 1.057 0 40 FDAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 3272096 FDHLKBGJVHZTMY-UHFFFAOYSA-N 368.422 1.987 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 4940597 FUYKFFDGTIWUEO-UHFFFAOYSA-N 358.375 1.672 0 40 FDAB CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 13716982 YJHQFIYKLRCOBT-HNNXBMFYSA-N 351.406 1.967 0 40 FDAB O=C(COc1ccccc1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 16847350 VODADEINRXBOKS-SFHVURJKSA-N 354.406 1.782 0 40 FDAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccon1 17178455 ICAGUOOLUJXQHN-MRXNPFEDSA-N 372.425 1.583 0 40 FDAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(C(=O)c4ncc(Cl)cn4)C[C@@H]32)cn1 2055704374 ZPZBYLYHVLVJHA-APHBMKBZSA-N 374.828 1.999 0 40 FDAB COCCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)N(C)C)CC1 2055750892 JOGRWWOIQDQLMR-UHFFFAOYSA-N 363.458 1.593 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(C(=O)NCC4CC4)c3C2)c1 2055745504 FERIVUPVJWTGIJ-CQSZACIVSA-N 354.410 1.805 0 40 FDAB Cc1nc(C(=O)N2CCCn3nnc(C(=O)NC4CCC4)c3C2)cs1 2055844920 ZTVMFEPRYBYKTE-UHFFFAOYSA-N 360.443 1.371 0 40 FDAB COc1nccnc1O[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)C1 225389911 HAUVWLFSHNOXDZ-ZDUSSCGKSA-N 372.381 1.577 0 40 FDAB COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 101023622 MNHNNZZJJRVKLE-WCBMZHEXSA-N 371.136 1.377 0 40 FDAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c(C)c1 51529761 IXJOJHVLXWCILC-UHFFFAOYSA-N 364.423 1.872 0 40 FDAB COc1ccc(CCN(C)S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 32895411 KSPPYUNCUDZTHB-OKILXGFUSA-N 372.487 1.532 0 40 FDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 41673549 GZGKRIACSRHMJA-LLVKDONJSA-N 362.854 1.809 0 40 FDAB CCCCN(C(=O)[C@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24764279 LSUSMMIHMBLWTA-GFCCVEGCSA-N 352.435 1.087 0 40 FDAB COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 1675921 ALDQYCRVWHGEFT-HUUCEWRRSA-N 372.329 1.695 0 40 FDAB O=C(c1nnsc1[S@@](=O)c1ccc(Cl)cc1)N1CCOCC1 1401272 WMRWVWBYLXHASB-JOCHJYFZSA-N 357.844 1.831 0 40 FDAB O=C(NCC(F)(F)F)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 44565116 PUBNYKDYWNIGTP-UHFFFAOYSA-N 365.358 1.590 0 40 FDAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476154 UTKZNCMSFOUAND-UHFFFAOYSA-N 370.471 1.636 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 58182314 NMGXBHDPFGHZBB-OAHLLOKOSA-N 352.456 1.722 0 40 FDAB COc1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c(OC)c1 44803959 DIMZAZDYDCHQQS-UHFFFAOYSA-N 366.377 1.961 0 40 FDAB O=C(NCCNC(=O)c1ccc(O)cc1)NCCc1c(F)cccc1F 58363801 LTWXMEWUYHPCQG-UHFFFAOYSA-N 363.364 1.942 0 40 FDAB Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCO3)no1 11999422 DPIQKGJMXAUWNP-VIFPVBQESA-N 353.356 1.017 0 40 FDAB CNC(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 47102738 TUJCEEOCQPZSBK-HNNXBMFYSA-N 354.414 1.627 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 62001868 YSUUAOXSJOYRRK-OLZOCXBDSA-N 351.355 1.786 0 40 FDAB biogenic C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCC1 10795569 PCLIAUALHPPVSM-LLVKDONJSA-N 354.428 1.328 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCN1C(=O)c3ccccc3C1=O)C2=O 3572836 PHWQWLGLUMMUQP-CWTRNNRKSA-N 355.394 1.783 0 40 FDAB NC(=O)Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1 12987121 YWFCHNKERQGJHI-UHFFFAOYSA-N 361.383 1.025 0 40 FDAB CCOC(=O)CCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 13611381 HRCBCYYUVIWRGL-UHFFFAOYSA-N 370.453 1.901 0 40 FDAB O=C(Nc1cccnc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13720491 YYLXGYGDNXLPRO-ZDUSSCGKSA-N 360.439 1.769 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 6552707 CVAHVPUBIOFBMK-MRXNPFEDSA-N 374.418 1.295 0 40 FDAB CCN1CCN(C(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 67338656 SWRDIRRWAYQHRW-AWEZNQCLSA-N 369.487 1.014 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cccc(COC)c2)NC(=O)N[C@@H]1C 8394071 LCINWXITKXNLQV-LLVKDONJSA-N 362.382 1.508 0 40 FDAB COC(=O)c1ccc(OC(=O)c2cccc(-n3[nH]c(=O)ccc3=O)c2)cc1 69534478 RUQLTQQGLBUVJO-UHFFFAOYSA-N 366.329 1.532 0 40 FDAB Cc1cc(N2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)n(C)n1 97009998 ARZRTVXNRKYCQX-HNNXBMFYSA-N 362.455 1.344 0 40 FDAB CN(CCOc1ccccc1)C(=O)c1cnn(CCN2CCOCC2)c1 72284194 JVCOIAKKHCOYMX-UHFFFAOYSA-N 358.442 1.366 0 40 FDAB CC(=O)Nc1cccc(OCCNC(=O)CNC(=O)OC(C)(C)C)c1 97212348 CXTHIMIEYSFBQY-UHFFFAOYSA-N 351.403 1.665 0 40 FDAB Cc1nc(CN2CCN(C(=O)[C@@H]3CSc4ccccc4O3)CC2)n[nH]1 76017388 PZOXDABESHRQEH-AWEZNQCLSA-N 359.455 1.311 0 40 FDAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCCc1cccs1 62006790 PIPUBOFQCOQOAG-UHFFFAOYSA-N 350.469 1.995 0 40 FDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCc2nc(C)no2)cc1 60242130 DZNOBLXTTAVPBD-LLVKDONJSA-N 366.443 1.427 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccs3)C[C@H]1C2 306128718 HIYQVMRRYHAVFJ-ZFWWWQNUSA-N 358.467 1.496 0 40 FDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)cc1C 548204886 TYQJHORLQMBLSJ-STQMWFEESA-N 357.428 1.470 0 40 FDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306134670 NVBBDTKDILQJLC-HNNXBMFYSA-N 354.410 1.710 0 40 FDAB Oc1nnc([C@@H]2CCCN(c3ncc(I)cn3)C2)o1 555159164 KOXMRCMFGAZOCT-SSDOTTSWSA-N 373.154 1.554 0 40 FDAB Cn1cnc([C@H]2CN(C(=O)c3cnn(-c4ccccc4F)c3)C[C@@H]2N)c1 1553849145 TUWDFDCDPCSBJX-ZFWWWQNUSA-N 354.389 1.312 0 40 FDAB O=C(NCc1nnc2ccccn12)c1c(-n2cnnn2)sc2c1CCC2 524733407 PFJAGRGNVBJKGB-UHFFFAOYSA-N 366.410 1.185 0 40 FDAB O=C(c1cnccn1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 77265564 VUTXHIAICYOIPT-GFCCVEGCSA-N 368.315 1.810 0 40 FDAB biogenic,in-vitro COC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1C 32899226 RVAHHKKNRVRCNT-VXGBXAGGSA-N 351.447 1.647 0 40 FDAB CN(C)Cc1c(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n1C 36365532 JYWVPUOPKFXUTM-UHFFFAOYSA-N 357.454 1.674 0 40 FDAB COc1cccc(CN2C[C@@H]3Oc4ccccc4S(=O)(=O)N[C@@H]3C2)c1 514290380 ZNCMKDLPCMGOKK-WBVHZDCISA-N 360.435 1.619 0 40 FDAB biogenic,in-vitro COc1ccc(CN2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)cc1 96047830 SLHFVJNSWXRABF-GOSISDBHSA-N 362.470 1.924 0 40 FDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc[nH]c1=O 95474987 VYVLGDBBWCGFBA-AWEZNQCLSA-N 362.411 1.867 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96226008 SPVDIBDBQINPRX-GOSISDBHSA-N 351.366 1.476 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2ccsc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 96096216 GWLPVDHIZACNEG-OEUWWYETSA-N 354.424 1.914 0 40 FDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(F)c(F)c3)[C@@H]2C1 96220100 WUDYTDKWFZREAW-XKQJLSEDSA-N 354.397 1.773 0 40 FDAB O=C1CCCN1C[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn21 247955998 NLVGYOWPDRMDFI-OAHLLOKOSA-N 360.439 1.251 0 40 FDAB CN(C)C[C@@H]1CCC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)OC1 248134135 RDIXGCOHYBJUHG-INIZCTEOSA-N 352.500 1.633 0 40 FDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1 248101929 FANBHMYTIDQPJM-CQSZACIVSA-N 360.483 1.893 0 40 FDAB Cc1cc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)c(C)o1 248021559 LZSGWFZQGWPUMT-HNNXBMFYSA-N 367.467 1.952 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1cnn2cccnc12 257321884 WDRHMMPWVAQPBH-CQSZACIVSA-N 352.398 1.302 0 40 FDAB COc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)oc2ccccc12 252500494 SWUGCGRUXAFQJG-HNNXBMFYSA-N 358.394 1.905 0 40 FDAB Cc1nc([C@@]2(C)CCCN(C(=O)C3CCOCC3)C2)nc2c1CC(=O)N2C 257203191 AOZXQXGCQXFXKP-FQEVSTJZSA-N 372.469 1.611 0 40 FDAB COc1cccc(CC(=O)N2CC[C@@H](c3ncc(CNC(C)=O)[nH]3)C2)c1 257287260 PPEHWTPKDIUKRL-OAHLLOKOSA-N 356.426 1.613 0 40 FDAB CN1N=C(C(=O)N(CCC(=O)O)Cc2ccc(F)c(F)c2)CCC1=O 262486967 WQDKTHVGUQJDIF-UHFFFAOYSA-N 353.325 1.376 0 40 FDAB CC[C@H](C)[C@@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)n1cnnn1 604419270 FJHIVKZFRIPOMA-BPUTZDHNSA-N 353.430 1.900 0 40 FDAB CC[C@H]1OC2(CCN(C(=O)c3cccc(C(=O)N(C)CC)c3)CC2)NC1=O 1615590696 MAWSSIZSPKSNHA-MRXNPFEDSA-N 373.453 1.636 0 40 FDAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)O)CC1)CO2 630220230 MTDPOGDNTIZBKO-DZGCQCFKSA-N 362.426 1.254 0 40 FDAB O=C(N[C@@H](CO)C(=O)NC[C@H]1CSc2ccccc21)c1ccc(F)cc1 652374394 QJPMSHFGHGMXIW-BBRMVZONSA-N 374.437 1.922 0 40 FDAB Cn1cc([C@@H](O)CNC(=O)C(=O)NCc2cccs2)c2ccccc21 96096525 BSGQYUXBVCSTFZ-INIZCTEOSA-N 357.435 1.706 0 40 FDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC([C@H]2CCCNC2)CC1 658962144 WPRYIXCYNRENBO-KRWDZBQOSA-N 354.458 1.578 0 40 FDAB CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 679993749 IUQCEOFSLWRNQC-CYBMUJFWSA-N 355.412 1.217 0 40 FDAB O=C(O)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)nc1 642217021 RYEIKHUIXAPNDG-UHFFFAOYSA-N 354.410 1.332 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 585100894 APGJHLRBBPROGK-GOSISDBHSA-N 371.466 1.896 0 40 FDAB O[C@@H]1[C@@H](NCCN2CCOCC2)CCC[C@H]1Oc1ccc(Cl)cc1 585290672 ZVLMDEPFHLDVQE-RCCFBDPRSA-N 354.878 1.923 0 40 FDAB CCOc1cccc(C(=O)N2CCO[C@@](COC)(CC(=O)NC)C2)c1 585277187 GOZKIVAVGFYCQI-SFHVURJKSA-N 350.415 1.079 0 40 FDAB Cc1snnc1C(=O)N1C[C@H]2C(=O)N(Cc3cccnc3)CC[C@H]2C1 585107856 UFYFOVFPTXMQOK-UONOGXRCSA-N 357.439 1.362 0 40 FDAB COc1cc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)ncn1 302132604 BXKGGIOJRJCTCL-UHFFFAOYSA-N 352.402 1.127 0 40 FDAB O=C(c1ccc(O)nc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161728 OYMPAFDTUXXVCC-JKSUJKDBSA-N 352.431 1.322 0 40 FDAB Cn1cnc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615130596 PLSCRUQEUOXVIR-IBGZPJMESA-N 358.417 1.957 0 40 FDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 17635292 NIUOIXARSXMROL-SECBINFHSA-N 361.345 1.358 0 40 FDAB Cc1nonc1NC(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O 12145096 COIUIOCSRUBXDM-UHFFFAOYSA-N 367.369 1.498 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)n(CC)c3ncccc32)C1 12222286 GURFXIYFZSGTLR-CYBMUJFWSA-N 360.414 1.020 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12406920 XBXYQVVSXFTBBA-MFKMUULPSA-N 351.357 1.947 0 40 FDAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccc(O)cc2)N1)OCCCO4 12539405 KTOKFDYYCYTQLL-MRXNPFEDSA-N 351.366 2.000 0 40 FDAB COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 16206466 LFCKMOARDGLFOI-GFCCVEGCSA-N 355.412 1.580 0 40 FDAB CCc1cc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)no1 19522677 SFXZIWQGJDWOPP-UHFFFAOYSA-N 357.414 1.499 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 810051 IKPBYWHPDKYRME-OAHLLOKOSA-N 352.456 1.255 0 40 FDAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4332717 DDIHPCMHOVBGPD-AWEZNQCLSA-N 369.439 1.182 0 40 FDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NC(C)(C)C 9918034 ZVEQCRIUMGBLSP-INIZCTEOSA-N 363.458 1.968 0 40 FDAB COc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)c(C)c1 2037971240 GNTUZRJELGFHNW-JSXRDJHFSA-N 357.450 1.513 0 40 FDAB Cc1ccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)cc1 2056225665 XIMCDJFXHPOWQD-AZUAARDMSA-N 370.453 1.394 0 40 FDAB O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)[C@H]1CCOC1)CC2 1565548157 YLWSWGZVBOMSBQ-KRWDZBQOSA-N 367.449 1.839 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 1565544880 UHVXHQAANJNXSJ-BWTSREIZSA-N 371.481 1.415 0 40 FDAB CC1(C)N=C(O)N(CN(CN2C(=O)C(C)(C)N=C2O)c2ccccc2)C1=O 864337 GHTZVLLHULELPE-UHFFFAOYSA-N 373.413 1.478 0 40 FDAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1 4270546 TYVQUHJULWQWIF-UHFFFAOYSA-N 356.429 1.266 0 40 FDAB Cc1cccc(NC(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)c1 4570963 RRRMWBDFJMNNHZ-UHFFFAOYSA-N 373.438 1.010 0 40 FDAB Cc1cccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CC2)c1 9827468 CDHWLWOKDPZWGO-UHFFFAOYSA-N 374.466 1.693 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)NCc1ccco1 10256755 SWGZTOQNQOEPTR-UHFFFAOYSA-N 363.439 1.116 0 40 FDAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(C(=O)N1CCCC1)CC2 2055793236 CXWKAMOYNGFIRC-UHFFFAOYSA-N 371.466 1.829 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccc(C)cc2)C1 2055772053 SZMYGLSUOCBNHM-IBGZPJMESA-N 356.426 1.334 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 43979839 CDWUSRQUAXFBCY-UHFFFAOYSA-N 353.400 1.336 0 40 FDAB O=C(CSCc1ccccc1)N[C@H]1CCN(c2nccn3cnnc23)C1 575615766 GOYDSNRYIULDNQ-HNNXBMFYSA-N 368.466 1.753 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 40040240 WINHPRNFUYEGFC-UHFFFAOYSA-N 362.455 1.160 0 40 FDAB O=S(=O)(NCc1cccnc1-n1cncn1)c1ccc2c(c1)CCO2 40105127 JLSAXLNDPPTZDM-UHFFFAOYSA-N 357.395 1.076 0 40 FDAB O=c1c2ccccc2n(CCN2CCOCC2)c(=O)n1-c1ccccc1 31351497 RYVVTMBVDLOMOO-UHFFFAOYSA-N 351.406 1.485 0 40 FDAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1F 32072190 YJFRLNHHPJPGPB-FZMZJTMJSA-N 371.434 1.275 0 40 FDAB COc1cc2ncn(CC(=O)NCc3cccnc3)c(=O)c2cc1OC 20744485 VZRMJWYGDQHTKC-UHFFFAOYSA-N 354.366 1.125 0 40 FDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23078569 KPLWOMMUDDEPFR-GUYCJALGSA-N 365.430 1.677 0 40 FDAB COc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)o2)cc1 899708 FYFNVAWJQKSGFY-UHFFFAOYSA-N 365.411 1.608 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C 24807659 BXKVSBBIJRDSGX-UHFFFAOYSA-N 365.389 1.898 0 40 FDAB CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1 4355734 QMLMJSKTQYMHTC-KRWDZBQOSA-N 372.473 1.769 0 40 FDAB CCOC(=O)COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 6955034 DHHMSYCJUNLLCT-UHFFFAOYSA-N 359.444 1.722 0 40 FDAB C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N1c2ccccc2CC[C@@H]1C 107330293 JTEXTORZIWWVML-OBJOEFQTSA-N 373.409 1.274 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cn2)cc1 12516897 PUHGFLTWYIQJTL-GFCCVEGCSA-N 361.423 1.898 0 40 FDAB C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 35413566 RCSPDHFINXHASV-OAHLLOKOSA-N 351.472 1.004 0 40 FDAB Cc1cc(NC(=O)CNS(=O)(=O)N(C)C)ccc1Br 58186126 DNPHOCPHZJBRBZ-UHFFFAOYSA-N 350.238 1.092 0 40 FDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1c(C)nn(C)c1Cl 28924446 MYQNZCJQRJUUKD-MRXNPFEDSA-N 361.833 1.719 0 40 FDAB O=C(NCCOc1cccc(F)c1)N1CCN(C[C@H]2CCCO2)CC1 59322840 UNEVOQTYDFFOGX-QGZVFWFLSA-N 351.422 1.711 0 40 FDAB O=C(COc1ccccc1)NCC(=O)Nc1ccc2c(c1)OCCCO2 11763581 LNIUDZLTWHHFMZ-UHFFFAOYSA-N 356.378 1.982 0 40 FDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 100420648 UGHYKAZVRXKAKA-YGTYGHESSA-N 362.401 1.803 0 40 FDAB CC(=O)c1c(SCC(=O)NCCc2cccs2)nc(=O)[nH]c1C 10916265 XDCMUJHWSUZNDB-UHFFFAOYSA-N 351.453 1.793 0 40 FDAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C 27974716 RYRYIKDUKLYIHC-GFCCVEGCSA-N 353.378 1.643 0 40 FDAB Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2o1 64025314 IRTZFMKSUMMFOF-AWEZNQCLSA-N 372.425 1.255 0 40 FDAB COc1ccc(CCNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)cc1 49547688 CXTJIDNZWTUSHU-UHFFFAOYSA-N 365.393 1.573 0 40 FDAB CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2O)c1 13683559 ZVJFNMVREHGFNC-UHFFFAOYSA-N 369.381 1.886 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5068624 QPPRGLFVGFFXKF-KRWDZBQOSA-N 358.354 1.612 0 40 FDAB Cn1c(SCC(=O)NC(=O)NCC(F)(F)F)nnc1-c1ccncc1 7363739 RMKBWZGXGUNXIM-UHFFFAOYSA-N 374.348 1.357 0 40 FDAB COc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2N)cc1OC 9575967 RUOHWVMATLRIGV-UHFFFAOYSA-N 353.382 1.797 0 40 FDAB Cn1nnnc1SCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 7718098 HITWVOVCXAWUBY-UHFFFAOYSA-N 374.451 1.768 0 40 FDAB CCn1nc(C)c(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1C 17076197 QTNIHHISFANFRE-GFCCVEGCSA-N 372.344 1.489 0 40 FDAB COc1cccc(C[C@H](NC(=O)C(=O)Nc2cc(C)nn2C)C2CC2)c1 95461199 XXNKORGVKNVUCH-INIZCTEOSA-N 356.426 1.813 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 17914062 ICPYHZWDDQEUAY-UHFFFAOYSA-N 372.331 1.430 0 40 FDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)c(OC)c1 8775285 JCLFGZVWILMNRX-ZDUSSCGKSA-N 360.366 1.426 0 40 FDAB CC(C)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)on1 95998847 JHRUGBWYTQZPKJ-ZDUSSCGKSA-N 371.459 1.065 0 40 FDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(N2CCn3ccnc3C2)CC1 89598246 DMRAMNSXJGYQHI-ZDUSSCGKSA-N 360.487 1.647 0 40 FDAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 20045355 KUVNWXFYGQTTLP-ZDUSSCGKSA-N 368.459 1.102 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C(F)F)nc2C)C1 36614968 QYDVHAGOMOSYKQ-JTQLQIEISA-N 351.375 1.550 0 40 FDAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccco4)nn23)CC1 1501040056 AAQCQGSTICYCAF-UHFFFAOYSA-N 353.429 1.585 0 40 FDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306133797 MWNNVGDBWBCEIE-ZIAGYGMSSA-N 355.417 1.614 0 40 FDAB Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2C)c(C)c1 32508618 XPVIDEJJXJVFJW-KBPBESRZSA-N 367.496 1.442 0 40 FDAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1OCC(N)=O 524732042 UUSZCCWHODFCND-GFCCVEGCSA-N 372.377 1.007 0 40 FDAB biogenic Cc1nn(C)c(C)c1CN(C)C[C@@H](CC(=O)Nc1cccc(O)c1)C(=O)O 71281541 BNMZBURHBIQGRJ-CQSZACIVSA-N 374.441 1.904 0 40 FDAB CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1 71327499 VCNSANPJZLPWJQ-UHFFFAOYSA-N 369.450 1.907 0 40 FDAB O=C1NC(=O)[C@H]2CN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]12 562605788 XFUAKKNWBKCXAR-BETUJISGSA-N 359.773 1.262 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)c3ccccc3Br)cc2)c1=O 77100076 XRTGTURYOBMGGD-UHFFFAOYSA-N 374.198 1.981 0 40 FDAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2=O)c1 96159825 XZDABUUPMWWCAM-JXFKEZNVSA-N 358.438 1.683 0 40 FDAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CCOC 96261673 KKTLJLSCTZVOKI-QWQRMKEZSA-N 350.463 1.482 0 40 FDAB Cc1cccc(CN2Cc3cncn3C[C@H](COCC(=O)N(C)C)C2)c1 96217321 PFJBAJKEFXHNQW-GOSISDBHSA-N 356.470 1.928 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccc2)CC1 96006150 VOPIISMAKDLPFW-CALCHBBNSA-N 355.438 1.510 0 40 FDAB CNS(=O)(=O)N1CCC(C(=O)N2CCC=C(c3ccco3)C2)CC1 332295819 JYZKAKPRSICQGW-UHFFFAOYSA-N 353.444 1.072 0 40 FDAB CCCN1CCC(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 248181123 YRNPAVHBFNXETG-VQIMIIECSA-N 363.527 1.866 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 247853339 IGNOGTUSSJKHTN-GRLNRTDZSA-N 370.449 1.925 0 40 FDAB O=S(=O)(C1CC1)N1CCN(c2cnc3cc(Cl)ccc3n2)CC1 624495037 MLCNJCUTAORIFT-UHFFFAOYSA-N 352.847 1.897 0 40 FDAB CC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc32)C[C@@H]1C(=O)N(C)C 257274420 NLAGJOIEWIULIZ-GOSISDBHSA-N 370.453 1.097 0 40 FDAB O=C(CN1CCN(C[C@H](O)C2CC2)CC1)NCc1ccccc1Cl 85436837 PIWRSFYOEJILEA-KRWDZBQOSA-N 351.878 1.345 0 40 FDAB CCN(CC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 26745439 UFDWBCWDYRSKTD-UHFFFAOYSA-N 363.233 1.811 0 40 FDAB Cc1n[nH]c(C)c1-c1nccnc1[C@H]1CCCN(S(=O)(=O)N(C)C)C1 257249796 JJUOIASMZNMLCV-ZDUSSCGKSA-N 364.475 1.469 0 40 FDAB Nc1nccnc1[C@H]1CN(C(=O)CCn2cnc3ccccc32)CCO1 257275879 NRJCWGZMCCXAFD-OAHLLOKOSA-N 352.398 1.399 0 40 FDAB COc1ccc(C(=O)N2CC3(CN(C)C[C@H]3c3n[nH]c(C)n3)C2)c(F)c1 1775958323 QZTYREDZDZMQDC-AWEZNQCLSA-N 359.405 1.432 0 40 FDAB O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN2CCOC[C@@H]2C1 606444776 OAXOAYGEYJQWIP-RWMBFGLXSA-N 351.369 1.212 0 40 FDAB O=C(CN1CCCCC1=O)N[C@@H](C(=O)O)c1ccccc1Br 630208270 SAPIHERSHFLWQT-CQSZACIVSA-N 369.215 1.704 0 40 FDAB CC1CC(n2nnc3c2CN(S(=O)(=O)[C@H]2C[C@H]4CC[C@H]2O4)CC3)C1 641639424 AANGDMFWENYHMP-DWSJWGJQSA-N 352.460 1.257 0 40 FDAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCn3nnnc32)C1 294170701 WKBAPYSGUBVFOF-CYBMUJFWSA-N 358.377 1.101 0 40 FDAB COCC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cccn2C1 585095084 DESQGFXQRASBHF-OAHLLOKOSA-N 366.487 1.696 0 40 FDAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNC2CCCCC2)C1 585291440 PFRAQSKNDQMFMR-MJGOQNOKSA-N 366.889 1.739 0 40 FDAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCCCC1 585279355 YIYXYILNPPKDTH-IBGZPJMESA-N 353.434 1.963 0 40 FDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@@H]1CCOC1 585096256 CXVBKGXAYNCSHZ-QWHCGFSZSA-N 358.398 1.346 0 40 FDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3cccc(F)c3)[C@H]3CO[C@@H]2O3)c1 952844844 NEVJTTQPUQNDBM-DGXTUMSLSA-N 362.361 1.178 0 40 FDAB biogenic,in-vitro CCOc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)ncn1 506458614 FDKXLZTVRHWSSL-STQMWFEESA-N 350.398 1.616 0 40 FDAB COC(=O)c1ccc2c(=O)n(C)c(SCc3cc(=O)c(O)co3)nc2c1 96191910 YVKWRCJOXGPUOO-UHFFFAOYSA-N 374.374 1.671 0 40 FDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(F)c(F)c2)nn1 1549162763 WDFVUBAZRFIUQT-ZMSDIMECSA-N 366.412 1.772 0 40 FDAB O=C(c1cocn1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615118414 CCTOOAMKQJXTLH-GOSISDBHSA-N 359.357 1.852 0 40 FDAB COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3cscn3)CC(=O)N1CC2 12188694 XPROHFMORCCQFG-AWEZNQCLSA-N 373.434 1.742 0 40 FDAB COc1ccc2c(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(=O)oc2c1 14135422 KDSBIQZOPCERTH-KRWDZBQOSA-N 372.421 1.625 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19169707 NZIFCHMXKKEZKU-UHFFFAOYSA-N 361.423 1.864 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C(C)C)N(C)C)C2=O 19715390 KPUDVHVXYTVCLV-TXKKKEFDSA-N 352.479 1.190 0 40 FDAB O=C(CN1CCOC1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225733658 WTBYARBGMDAIAX-NSHDSACASA-N 359.304 1.532 0 40 FDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 17112989 JFOJLGNIFVENLT-UHFFFAOYSA-N 359.426 1.634 0 40 FDAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 1848357399 YGSJINPGMITPCR-QWFCFKBJSA-N 357.454 1.441 0 40 FDAB CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 9704701 FLHSQHCZHOXIPX-UHFFFAOYSA-N 358.419 1.744 0 40 FDAB O=C(NC1CCOCC1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888870073 IQLSHZBBOVHMJJ-SCLBCKFNSA-N 364.421 1.985 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cc(O)ncn2)C3)nc1 1888870198 XHVAJXFONRHUML-SCLBCKFNSA-N 355.398 1.602 0 40 FDAB CC(C)S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888873133 ZXNRQYLRORQLDP-GFCCVEGCSA-N 365.459 1.441 0 40 FDAB Cc1cc(N2CCN(c3nc(C)nc4c3CCC4)CC2)nc(N(C)C)n1 1889091540 UTNQAPQCZCGPCG-UHFFFAOYSA-N 353.474 1.765 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CCNC3=O)CC2=O)cc1 24077527 QOQTVJOHYDCGOQ-GXTWGEPZSA-N 373.409 1.085 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238878979 OTSYNXXQALUSNF-HUUCEWRRSA-N 364.405 1.198 0 40 FDAB Cc1noc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@H]2c2ccccc2)n1 238929438 UYIAOSJENVYEIC-GJZGRUSLSA-N 356.382 1.540 0 40 FDAB O=C([C@@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCC(F)(F)CC1 2087126994 PVTXOLDXBXOQBT-HNNXBMFYSA-N 366.412 1.818 0 40 FDAB CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)cn1 1565546889 GFUSWZYLVXABCB-RBUKOAKNSA-N 360.502 1.511 0 40 FDAB Cc1ccc(Cn2c(=O)c3c(nc(Br)n3C)n(C)c2=O)cc1 4318002 FEDLAJKMCAWGBO-UHFFFAOYSA-N 363.215 1.553 0 40 FDAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055750703 QZXAYYHBUZIMEZ-WMZOPIPTSA-N 354.410 1.672 0 40 FDAB Cc1cccc(C(=O)N[C@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)n1 2055731777 UZUZHQKFVWSQJI-UONOGXRCSA-N 356.426 1.232 0 40 FDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]21 2055750968 SRTOWDNECYBVDT-MSOLQXFVSA-N 358.442 1.664 0 40 FDAB Cc1cc(NC(=O)C(=O)NCC2CCN([C@@H]3CCSC3)CC2)no1 225574661 RSYZETKVBXFVRS-CYBMUJFWSA-N 352.460 1.255 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N1CC(n2cc(C3CC3)nn2)C1 585149182 QGKTYIIUNAQWOG-UHFFFAOYSA-N 364.409 1.339 0 40 FDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](n2ccnn2)C1 585321381 QNQMCGSMVFSDBB-HNNXBMFYSA-N 365.393 1.525 0 40 FDAB Cc1cc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n2nccc2n1 2298080860 QWNMSBLKTVVEEF-UHFFFAOYSA-N 360.425 1.945 0 40 FDAB CCN1CCN2CCCN(S(=O)(=O)c3ccc(C)cc3C)[C@@H]2C1=O 32936908 IJFTZZAAAODXQV-MRXNPFEDSA-N 351.472 1.188 0 40 FDAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C2 40091092 MENVCMMLGZPDTL-ZFWWWQNUSA-N 354.497 1.552 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CCC2)C1 40092032 AYZWKNITWHMNMS-HNNXBMFYSA-N 350.484 1.896 0 40 FDAB COc1ccc(Cn2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)cc1 20248862 VVMOQQGQOJFGNQ-UHFFFAOYSA-N 368.393 1.572 0 40 FDAB Cc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c(O)c1 31276422 NNGXXSMVQIVVIB-UHFFFAOYSA-N 355.442 1.433 0 40 FDAB CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 20722186 JENDVWARPMDSSL-LLVKDONJSA-N 357.332 1.311 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 32242034 LNRVPHKFANEQBU-UHFFFAOYSA-N 372.391 1.773 0 40 FDAB CC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 21577469 YPSUMBJKYUTCFV-UHFFFAOYSA-N 368.455 1.673 0 40 FDAB CCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(OC)c2)C1=O 12408595 IJRSQNARSRGIER-CQSZACIVSA-N 359.304 1.926 0 40 FDAB Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C1CC1 2634613 IPMNBNFZHUVULN-UHFFFAOYSA-N 367.456 1.071 0 40 FDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1Br 4155609 RSJFUECLXYFTIV-LMOYCYGVSA-N 364.195 1.563 0 40 FDAB CC1(C)OC[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]2COC(C)(C)O2)O1 4758585 QWWCXQXIXFIHQA-QKPAOTATSA-N 366.410 1.876 0 40 FDAB CC(C)Cn1c(N)c(-c2csc(-c3cnccn3)n2)c(=O)n(C)c1=O 58162544 CEESIDYBTNVCKK-UHFFFAOYSA-N 358.427 1.366 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)c1 36107526 JTXLBHKZLGQUAT-HNNXBMFYSA-N 352.456 1.315 0 40 FDAB O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 28333384 MKPVFBQQJGASHF-UHFFFAOYSA-N 368.352 1.905 0 40 FDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(C)n[nH]1)n2CC 11707133 BBEHDSSSHJRXLX-UHFFFAOYSA-N 363.447 1.425 0 40 FDAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 11902837 WYGAHJGTDZAEQB-UHFFFAOYSA-N 362.411 1.648 0 40 FDAB Cc1noc(-c2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2)n1 47122158 ZDNSYHPKDZLODG-UHFFFAOYSA-N 361.365 1.951 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1C 47398297 RIVWFWJUFBGSQU-UHFFFAOYSA-N 369.469 1.911 0 40 FDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCN([C@@H]2CCSC2)CC1 75106341 GYIBLMCWAZBWPB-NVXWUHKLSA-N 363.527 1.823 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NCc1ccccc1)C2=O 3327768 WJZQIGQEHOEHRM-UHFFFAOYSA-N 372.425 1.513 0 40 FDAB NC(=O)c1c(NC(=O)COC(=O)c2cnccn2)sc2c1CCCC2 3331783 QZRJFQDBOXFGPP-UHFFFAOYSA-N 360.395 1.311 0 40 FDAB Cc1ccccc1CCNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 12877160 GZBZOZYBRZRXRH-CQSZACIVSA-N 371.462 1.781 0 40 FDAB CCN(CC)C(=S)SCC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 22067084 IOVNGODCXXVHGM-UHFFFAOYSA-N 372.516 1.317 0 40 FDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H](C)O)C3 13623744 INALPZCOEOYQGF-SNVBAGLBSA-N 361.394 1.658 0 40 FDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(-c2ccccc2)n1 14158804 AJOBVCLYGZGEEI-UHFFFAOYSA-N 366.406 1.838 0 40 FDAB Cc1nn(Cn2ccc(-c3nc4c5cn[nH]c5ncn4n3)n2)c(C)c1Cl 6412456 FEHVLQRIELCQFR-UHFFFAOYSA-N 368.792 1.837 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1CCOC1)C2 306143389 YAYHVFJPZKKEGW-SJLPKXTDSA-N 359.470 1.558 0 40 FDAB CCOC(=O)N1CCc2nn(CC(=O)NCc3ccccc3)c(=O)cc2C1 67319006 RIIPJNFMBMQVLK-UHFFFAOYSA-N 370.409 1.074 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(OC)ccc2OC)c1 7182956 ZNSQODPSCZYNQO-UHFFFAOYSA-N 365.407 1.969 0 40 FDAB CN(CCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 7287823 SCNXMYSFFNRKPE-UHFFFAOYSA-N 358.442 1.494 0 40 FDAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ncnc2nc[nH]c12 9513399 KMCFHQSKNWUQCP-LURJTMIESA-N 362.444 1.898 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)/N=c2/sc3ccccc3n2C)C1=O 16004965 ZCBSQICYPKCSOR-FBMGVBCBSA-N 360.439 1.778 0 40 FDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)C1CCN(C(=O)N2CCCC2)CC1 81707034 VYBGHFRNVAPZEM-MSOLQXFVSA-N 357.454 1.689 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(F)ccc3n2C)o1 72303499 VSQANSUIXWTOQS-UHFFFAOYSA-N 352.347 1.466 0 40 FDAB CCOC(=O)N1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 95978483 VVRNOBAHNAYVAE-CYBMUJFWSA-N 370.247 1.750 0 40 FDAB CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 72992811 DBOHZKLTHHVJQW-CYBMUJFWSA-N 367.471 1.314 0 40 FDAB Cc1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)N(C)C)C2)n(C)n1 306142531 XCFFRNFWTDDHFJ-OAHLLOKOSA-N 359.478 1.218 0 40 FDAB NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccc2F)CC1 34852551 NCGPKONJQXXLIW-UHFFFAOYSA-N 362.430 1.747 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc2ccc(Cl)cc2s1 38671238 XPAZLUITVWFBQC-UHFFFAOYSA-N 350.787 1.816 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](Oc2cccnn2)C1 225418825 GBXLYIBNMFUZKK-GFCCVEGCSA-N 363.395 1.090 0 40 FDAB O=S(=O)(CCN1CCN(c2cnccn2)CC1)c1ccc(Cl)cc1 40049866 MKOKXNMTARQGJC-UHFFFAOYSA-N 366.874 1.726 0 40 FDAB COc1cc(N2CC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)ncn1 96159450 NZHFVEPJCOSJFX-QGZVFWFLSA-N 359.455 1.879 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101382 PSTXTNUXOQBKLG-URLQWDBASA-N 359.426 1.800 0 40 FDAB Cn1cnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O 95478918 WLXSMMOZNFCPKS-UHFFFAOYSA-N 362.389 1.918 0 40 FDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1nccs1)CC2 247833674 IHZLZYPUSXGUPV-CYBMUJFWSA-N 359.517 1.263 0 40 FDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1ccc(F)c(F)c1)C2 247968761 HBUPBPTVBJCCKZ-AWEZNQCLSA-N 354.397 1.803 0 40 FDAB COCC(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 247824478 IZJMCEGIUSRMOL-INIZCTEOSA-N 353.426 1.684 0 40 FDAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257350424 XIMHBRWYDJFACW-HUOFPDNKSA-N 366.498 1.796 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257203527 AQLMGPBXFSTORG-WUJZJPHMSA-N 357.458 1.305 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccccc1F 257236478 HCJQBULGHZTYBC-GFCCVEGCSA-N 353.375 1.166 0 40 FDAB CCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nc1C 257290555 QDKMMPPGHYTCDR-ZBFHGGJFSA-N 360.458 1.267 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1cccc(F)c1 257335095 YIQOSQLSIJDCTG-GFCCVEGCSA-N 353.375 1.166 0 40 FDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257248842 JFLHSTCXDFWCKR-ZDUSSCGKSA-N 364.475 1.171 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1cscn1 257287261 PPEIGHXXEJZIIA-BGTYHANMSA-N 373.478 1.918 0 40 FDAB O=C(NCc1ccccc1CC(F)(F)F)NCc1nnc2n1CCOC2 623936565 BMJBKELUEXERMX-UHFFFAOYSA-N 369.347 1.913 0 40 FDAB Cn1cncc1C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 1339259192 SISBWAFVRNEMOF-UHFFFAOYSA-N 365.437 1.926 0 40 FDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(C)c(C)o4)CC3)[C@H]2C1 585106092 KZZXOIQWKKSYGP-CVEARBPZSA-N 359.470 1.959 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N[C@@H]3CCC(=O)NC3)c2)n1 72230536 YGHVGPXQWCAMBR-CQSZACIVSA-N 355.398 1.399 0 40 FDAB COc1cccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 35310478 ICCKINOZPLSXGV-IXDOHACOSA-N 361.486 1.842 0 40 FDAB Cc1cccc([C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)N2CCOCC2)c1 60381286 UGDWHVONDIHHOE-INIZCTEOSA-N 368.441 1.450 0 40 FDAB CC(=O)N1CCC(CN2CCC(Oc3ccc(C(N)=O)cc3)CC2)CC1 1208674726 VUQKMHGYNDACRN-UHFFFAOYSA-N 359.470 1.887 0 40 FDAB Cc1cc(Br)ccc1S(=O)(=O)NCCC(=O)NC(C)C 227116551 WVISBGYQIUIDON-UHFFFAOYSA-N 363.277 1.951 0 40 FDAB CN1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccccc2)no1 12530079 XORFHTCXJXCDAM-ZFWWWQNUSA-N 350.382 1.702 0 40 FDAB biogenic,in-vitro COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CC1 13669403 PRGPASOXMOPIQL-UHFFFAOYSA-N 368.455 1.173 0 40 FDAB CCOCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14396912 AJRLPXGFGIKIFA-UHFFFAOYSA-N 372.443 1.114 0 40 FDAB CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1C)CC2 16987054 AUGDMRLCZLZNAV-UHFFFAOYSA-N 369.421 1.441 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19496214 RTVJRJLMDQXMFP-HOCLYGCPSA-N 373.501 1.423 0 40 FDAB COc1cccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 19710964 PTJDAVQHWZJNJH-OAHLLOKOSA-N 355.442 1.339 0 40 FDAB CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1 100568686 PEBXGLALMHVYPY-QGZVFWFLSA-N 374.437 1.613 0 40 FDAB in-vitro CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)CC1 3442354 NJTIJFAEEKEFSS-UHFFFAOYSA-N 356.753 1.610 0 40 FDAB COCCn1nc(C(=O)NCCSCc2ccsc2)ccc1=O 22696802 YZSZONGNBKQXCW-UHFFFAOYSA-N 353.469 1.614 0 40 FDAB CCCCn1c(CN2CCO[C@H](C)C2)nc2cc(S(N)(=O)=O)ccc21 25106069 TUPMGOCYYZASGR-CYBMUJFWSA-N 366.487 1.705 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)cc1 238830998 FWVVXHPAHWUWMR-LRDDRELGSA-N 359.407 1.714 0 40 FDAB COc1cc(C(=O)N2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)on1 1565554142 RZSKKPNVKZNANW-ZDUSSCGKSA-N 363.414 1.363 0 40 FDAB C[C@]1(C(=O)N2CCO[C@@]3(COCCN(c4cnccn4)C3)C2)CC=CCC1 1565556775 UZGRUABVGLQEMK-VQTJNVASSA-N 372.469 1.657 0 40 FDAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NC[C@H]1CCCO1 4327756 JSQCYWGKEFQZMS-CYBMUJFWSA-N 370.438 1.574 0 40 FDAB Cc1nnsc1C(=O)Nc1nn(C)c2c1[C@@H](c1ccco1)CC(=O)N2 36705560 JXJXTVVEMZUSEN-MRVPVSSYSA-N 358.383 1.899 0 40 FDAB O=C(Cn1ncccc1=O)NCc1nc(C2CCC(F)(F)CC2)no1 575617567 UVIRFFAQFVYXLU-UHFFFAOYSA-N 353.329 1.236 0 40 FDAB Cc1cnn(-c2cccc(N3CCN(c4ncnc5[nH]cnc45)CC3)n2)c1 2298105393 XOFOUSIYOSXVLT-UHFFFAOYSA-N 361.413 1.569 0 40 FDAB O=S1(=O)CC[C@H](NCCn2cncc2-c2c[nH]nc2-c2ccccc2)C1 19719567 CJTKXIXAOQSAAS-HNNXBMFYSA-N 371.466 1.717 0 40 FDAB CS(=O)(=O)N1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 24778049 NWBQQGKPEGQESK-UHFFFAOYSA-N 360.819 1.176 0 40 FDAB O=C(NC1CCCC1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 35855881 PGBXRSXBQDLSQR-LJQANCHMSA-N 355.482 1.998 0 40 FDAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 52823278 VBHNNLYTTQTIBO-ZFWWWQNUSA-N 356.513 1.849 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nnc(N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 103417348 SWIXODXHZFNYIA-KATARQTJSA-N 355.489 1.863 0 40 FDAB Cn1cc(/C=c2/s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2=O)cn1 104748270 BOVUGAOYEQIYTE-XXGRXQMWSA-N 367.474 1.960 0 40 FDAB COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 23995254 CEWCQCWJWMZTJD-UHFFFAOYSA-N 374.462 1.980 0 40 FDAB O=C(NC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 3032783 RSJLQTBRKBSMRX-KRWDZBQOSA-N 362.426 1.994 0 40 FDAB O=C1N[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C(=O)N1c1ccc(F)cc1 4260791 VNKHGGTVXQHGPZ-CABCVRRESA-N 354.341 1.560 0 40 FDAB biogenic,in-vitro O=C(NCC(=O)N1CCCC1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 57392191 MQOQVBIJUHEWRK-SFHVURJKSA-N 359.426 1.831 0 40 FDAB CCOCCOc1c(Cl)cccc1NCC(=O)NC(=O)NCCOC 58223866 FLJSBXYNPVFHAC-UHFFFAOYSA-N 373.837 1.639 0 40 FDAB CCn1ccnc1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 58327344 OXWWIVDIBKUZAE-UHFFFAOYSA-N 366.462 1.939 0 40 FDAB CS(=O)(=O)NCCCNC(=O)Nc1ccc(Oc2cnccn2)cc1 58331407 WRUHOYJWTWOYPO-UHFFFAOYSA-N 365.415 1.330 0 40 FDAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cc(=O)n2ccccc2n1 10498282 ALXFOWNJEXAPTO-UHFFFAOYSA-N 370.372 1.638 0 40 FDAB CONC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 10586217 OMJJGESFFBDAAL-UHFFFAOYSA-N 355.460 1.561 0 40 FDAB Cc1cc(=O)oc2c(NC(=O)C(=O)NCc3cccnc3)c(O)ccc12 62001449 ZGNOEDFYHBVRPB-UHFFFAOYSA-N 353.334 1.457 0 40 FDAB biogenic O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 102613186 YUERGOBAXHUBMQ-GPYXMWEOSA-N 366.417 1.907 0 40 FDAB COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cn1 10990941 VHDMMNXTPOYXCY-SFHVURJKSA-N 366.421 1.935 0 40 FDAB COC(=O)C(C)(C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 45951240 BLDDGHRJLISDEH-UHFFFAOYSA-N 373.192 1.657 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@@H](C(=O)O)[C@@H]5C3=O)nc2c1 100917879 ZTKYSQQEFVALOZ-BMGIQWSVSA-N 358.375 1.676 0 40 FDAB N#Cc1ccc(N2CCC(C(=O)NCCC(=O)N3CCCCC3)CC2)nc1 46461489 SQADGUWNSJXTOX-UHFFFAOYSA-N 369.469 1.688 0 40 FDAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O 46715311 HJYQPJZSMVQHPE-HNNXBMFYSA-N 370.453 1.227 0 40 FDAB Cc1ncsc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108532549 RHKOVOSSZAEQHI-CYBMUJFWSA-N 359.517 1.514 0 40 FDAB O=C(NCc1ccccc1Br)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101220678 ZFLPDMLARUAPFU-RVMXOQNASA-N 352.184 1.720 0 40 FDAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3ccccc3C2)cc1 12911853 IRDNBAWFMOUHHX-UHFFFAOYSA-N 358.463 1.977 0 40 FDAB CC(=O)N1CCc2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc21 12924663 QYXFGJGBMXJFKA-UHFFFAOYSA-N 362.389 1.944 0 40 FDAB COc1ccccc1N1C(=O)N[C@@](NC(=O)C2CC2)(C(F)(F)F)C1=O 9135307 HVXYAWZUMMUSIK-CQSZACIVSA-N 357.288 1.536 0 40 FDAB CCC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 20150511 RQZAKLPXGJTNNF-HRLGVUPISA-N 362.401 1.803 0 40 FDAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 4386365 JTVHNXPCHIGASA-UHFFFAOYSA-N 353.382 1.383 0 40 FDAB CCCCCc1nnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 14051002 QCSGFWMEBHVVBP-UHFFFAOYSA-N 361.431 1.353 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)CN2CCOCC2)cc1NS(C)(=O)=O 95453117 CLKLHVITAWQXKI-ZDUSSCGKSA-N 355.460 1.273 0 40 FDAB CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 14681051 ZXVLFFWPJBCRJB-UHFFFAOYSA-N 363.439 1.323 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 15905573 JJCSKAXFNIOCSI-DCXXXQMHSA-N 361.401 1.684 0 40 FDAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N1CCNC1=O 8313153 FIGBAKMWYCCHCV-LLVKDONJSA-N 368.422 1.848 0 40 FDAB COc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c(CO)cc1=O 70666644 RUWZRTLPVNSFNF-UHFFFAOYSA-N 355.394 1.189 0 40 FDAB biogenic CN1C(=O)c2ccc(C(=O)OCc3cc(=O)n4ccccc4n3)cc2C1=O 18354506 LZDKZBQFCQVPAR-UHFFFAOYSA-N 363.329 1.277 0 40 FDAB O=C(NCCC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccco1 18826638 JVLKFHIBQMAYHW-UHFFFAOYSA-N 371.437 1.623 0 40 FDAB O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3nccs3)C2)O1 306129349 IBDLVDIKCDLYGG-PBHICJAKSA-N 351.472 1.516 0 40 FDAB COc1nc(N(C)C)nc(-n2cnc(SCCOc3ccccc3)n2)n1 9050222 DFGVXHKVEHZWED-UHFFFAOYSA-N 373.442 1.698 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(N2CCOC2=O)c1 97044081 DJSBVRSCHOPVLR-GJZGRUSLSA-N 371.393 1.757 0 40 FDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 89488023 DOQPKCDLZZUOSM-MRXNPFEDSA-N 358.442 1.880 0 40 FDAB CCn1cnnc1CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 75110011 TXRXZRJBDHOOJZ-CHWSQXEVSA-N 366.466 1.933 0 40 FDAB COc1ncccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 306136286 POWOCDYEUZMZDF-ZMSDIMECSA-N 357.410 1.560 0 40 FDAB CC(C)(CO)N1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 75613034 LNZOAQLEDBIJAA-UHFFFAOYSA-N 362.430 1.564 0 40 FDAB CC[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1c(C(=O)O)cnn1C 1548449159 UYJOVGDSMFVQLO-LBPRGKRZSA-N 355.391 1.557 0 40 FDAB CC(C)C(=O)NCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 23326610 SVSVNIFAEGCTTF-MRXNPFEDSA-N 371.437 1.509 0 40 FDAB CC(C)[C@H](C)NC(=O)CN1CCN(CC(=O)Nc2cccc(F)c2)CC1 22782112 ZAWHPQSXWDDZNW-HNNXBMFYSA-N 364.465 1.543 0 40 FDAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(S(C)(=O)=O)CC1 32089892 ADDCFPZIMUCOMP-HNNXBMFYSA-N 351.428 1.179 0 40 FDAB COc1ccc(CN2CCO[C@@]3(CNC[C@H]3c3cccnc3)C2=O)cc1 306135191 OKJWMAPBQTUWHZ-AZUAARDMSA-N 353.422 1.575 0 40 FDAB CNC(=O)COc1cccc(CNC(=O)Cc2cc(OC)ccc2OC)c1 550734093 AMJBUKZSHIMNAL-UHFFFAOYSA-N 372.421 1.688 0 40 FDAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2ccc3c(c2)OCO3)C1(CO)CO 218158699 ZNKDZULSNXGWAO-SJORKVTESA-N 362.403 1.326 0 40 FDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)C(=O)OCC 71756626 IPVQLZZIHOAWMC-CWVYHPPDSA-N 368.474 1.941 0 40 FDAB biogenic O=C(O)CC1(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 569612201 SOJBAZUOCQRFAL-AWEZNQCLSA-N 370.446 1.823 0 40 FDAB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 89212879 BWSUUAQOIIUVJC-UHFFFAOYSA-N 368.455 1.959 0 40 FDAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(CC(=O)N2CCCC2)CC1 141406535 PZMLVXOVOLQCMP-XQRVVYSFSA-N 371.437 1.195 0 40 FDAB O=C(c1ccnnc1)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040399 FMQXBZTZJFFECO-VQIMIIECSA-N 354.410 1.962 0 40 FDAB O=C(O)[C@]12CCCN(Cc3ccncc3)C[C@H]1CN(c1ncccn1)C2 96185232 FKXDRTVRNXQINB-LPHOPBHVSA-N 353.426 1.675 0 40 FDAB CCN(Cc1cnn(CC)c1)C(=O)Cn1c(=O)c(C)nc2ccccc21 95506667 WIQVKDBPJKMXJL-UHFFFAOYSA-N 353.426 1.970 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)c3ccco3)CC2)[C@]2(CCN(C)C2=O)C1 96036400 FWLVIHDXICQMDA-LJQANCHMSA-N 359.426 1.213 0 40 FDAB Cc1ccc(C(=O)N2CCn3cc(CNC(=O)c4cccn4C)nc3C2)o1 96059497 ILRXUSOGTZFKPP-UHFFFAOYSA-N 367.409 1.709 0 40 FDAB O=C(NCC(F)(F)F)c1ncn2c1C(=O)N(Cc1cccnc1)CC2 96066511 MMXBBKSAUTZVTD-UHFFFAOYSA-N 353.304 1.226 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOC[C@@H](CCN(C)C)[C@@H]2C)cc1 248113559 KXMXTIANSPMTMA-LSDHHAIUSA-N 356.488 1.673 0 40 FDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)O)c2)C1 257287892 PRWVGEQUAIIFFA-NSHDSACASA-N 362.411 1.376 0 40 FDAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1CN(Cc1nc3ccccc3n1C)C2 257260246 LBZJNSSSASUFMH-OXJNMPFZSA-N 369.469 1.132 0 40 FDAB COc1ccc(CN[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C)n2)cc1 604382176 JBZSFDFEBWMRMC-UAFMIMERSA-N 357.454 1.484 0 40 FDAB biogenic,in-vitro CC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)CC1 588684690 GSNBNEYQUKCXQC-UHFFFAOYSA-N 372.450 1.919 0 40 FDAB CN1CCC[C@@H](CN(C)C(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 604346119 ISLFORWHESRDQC-OAHLLOKOSA-N 353.488 1.067 0 40 FDAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCN([C@H](C)CC(=O)O)CC1)CO2 630220235 MTDPOGDNTIZBKO-UKRRQHHQSA-N 362.426 1.254 0 40 FDAB C[C@@H](NC(=O)N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1-n1cccn1 654490324 BBRLWVMSUDOONU-ZIAGYGMSSA-N 365.441 1.919 0 40 FDAB O=C(CCOC1CCOCC1)NC1CCN(C(=O)c2ccccc2)CC1 674665556 YGJOJQUVFONKAG-UHFFFAOYSA-N 360.454 1.993 0 40 FDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)Cc1c(C)noc1C 675481399 DNNUYNGITGYLNI-HZMBPMFUSA-N 362.434 1.795 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 681944291 XIYIMHUAMCDZAC-NSHDSACASA-N 372.780 1.253 0 40 FDAB NS(=O)(=O)CCCC(=O)N1CCN(c2ccc3ccccc3c2)CC1 77437671 MCCDADJSKAEGGP-UHFFFAOYSA-N 361.467 1.557 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c1 90744454 JCXHPMGTZMEIFI-KRWDZBQOSA-N 361.419 1.836 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cc(C)ccc2C)Cc2ccnn21 585112839 WACTWOFBNGAUCM-GOSISDBHSA-N 362.499 1.996 0 40 FDAB O=C(c1ccc2nn[nH]c2c1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585275706 GGNITFVBZLLABA-SFHVURJKSA-N 356.357 1.753 0 40 FDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096398 MAANFGDRPULWBK-CYBMUJFWSA-N 357.414 1.148 0 40 FDAB CCN(CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 44401231 VVCKULJORVWDPD-INIZCTEOSA-N 367.515 1.691 0 40 FDAB CCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2ccccc2)no1 1775964169 VKALXMDYUIMUNE-LBPRGKRZSA-N 350.400 1.232 0 40 FDAB biogenic,in-vitro Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 58051761 YGAHZSHXDNZIHV-UHFFFAOYSA-N 370.456 1.203 0 40 FDAB O=C(NCCc1ccccc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188737 MVOPRACFQVXCFS-HNNXBMFYSA-N 373.478 1.704 0 40 FDAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 5023410 WXMSWGVVOCTVSE-IBGZPJMESA-N 371.393 1.395 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@H]2COc3ccccc3O2)cc1 5929550 SFPAQMHRRBYCEQ-ZDUSSCGKSA-N 362.407 1.823 0 40 FDAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 12185087 ODFBEHSCYKFGNC-NKSTXHLWSA-N 356.422 1.800 0 40 FDAB COc1ccccc1C[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1 12196651 SVHQVMYNNUCZNB-CQSZACIVSA-N 356.426 1.683 0 40 FDAB CC(=O)NCCNC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 14229930 YGRYLYLAZKHNAJ-FQEVSTJZSA-N 369.465 1.775 0 40 FDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)Cc1ccccc1 14251412 RRNZLKAJYSMSRU-CQSZACIVSA-N 373.478 1.744 0 40 FDAB Cc1ccccc1[C@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 15762071 VUIIPZSFAAVQQM-ZDUSSCGKSA-N 357.435 1.911 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)nc(O)c2C1 19018053 JRNFUALTFWMRDB-MRXNPFEDSA-N 358.442 1.941 0 40 FDAB CC(C)c1nccn1CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19454384 RGVAFBIASYYPFW-INIZCTEOSA-N 354.458 1.806 0 40 FDAB CCOC1CCN(S(=O)(=O)c2ccc(CC(=O)N(C)C)cc2)CC1 19715995 LNAYEJCMXGSYQR-UHFFFAOYSA-N 354.472 1.507 0 40 FDAB C[C@@]1(C(=O)N2CCOCC2)CCCN1C(=O)CCN1CCc2ccccc21 19746590 BNFMSPMGEDNYIX-NRFANRHFSA-N 371.481 1.679 0 40 FDAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCC(C)C 5339734 JFLJAFBPIMITJQ-UHFFFAOYSA-N 367.471 1.636 0 40 FDAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 635015543 GDKHTFACFZKJDR-MRXNPFEDSA-N 352.818 1.726 0 40 FDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831838 VJCVHSBGLSNEJT-CYBMUJFWSA-N 355.402 1.057 0 40 FDAB Cc1cc(N2CCN(CCc3ccccc3)CC2)nc(N2CCOCC2)n1 1889124997 HASONTDYEODLNN-UHFFFAOYSA-N 367.497 1.986 0 40 FDAB CN1C(=O)C(=O)N(CCOc2ccc(Cl)cc2Br)C1=O 9112488 LOOBZBQVIPAWRL-UHFFFAOYSA-N 361.579 1.902 0 40 FDAB Cn1cccc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)c1=O 1565544320 DYNRDAPXALVNMI-UHFFFAOYSA-N 357.454 1.640 0 40 FDAB CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 4134844 UIFZICFEFVZAKD-CYBMUJFWSA-N 355.442 1.887 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193499 LSBWBCRTGDLXEV-CYBMUJFWSA-N 363.373 1.204 0 40 FDAB Cc1cc(NC(=O)C(=O)NCCC(C)C)n(-c2nc(O)cc(C(C)C)n2)n1 9038369 MXYQZSSAWBTFRE-UHFFFAOYSA-N 374.445 1.901 0 40 FDAB O=C(COc1ccccc1)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734514 FQHRUNLHFCMKFG-HNNXBMFYSA-N 371.437 1.559 0 40 FDAB COc1ccc(C(=O)N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)c(OC)c1 2055806691 YZYLXFUCTQVGLA-IBGZPJMESA-N 361.442 1.130 0 40 FDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(c2nccs2)C(=O)C1 1775965693 KGGSYLPSADUAHZ-UHFFFAOYSA-N 355.379 1.682 0 40 FDAB Cn1ncc2c(N3CC(Cn4nc(-c5ccncc5)ccc4=O)C3)ncnc21 585606268 UFMPOWBKKROFFR-UHFFFAOYSA-N 374.408 1.118 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2cccnc2O[C@H]2CCOC2)cc1 244998807 KUHKVWLRSIOAQP-LBPRGKRZSA-N 363.395 1.149 0 40 FDAB COc1cccc(OCCNC(=O)c2nn(C)c(=O)c3ccccc23)c1 41107879 YPBLIABNPIBLPO-UHFFFAOYSA-N 353.378 1.751 0 40 FDAB CCOC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 3092674 RIEHBMMKDNYKIJ-UHFFFAOYSA-N 361.379 1.561 0 40 FDAB COC(=O)c1ccc(C)c(O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40051903 JJSHQXIDZYKCQQ-JSGCOSHPSA-N 369.439 1.194 0 40 FDAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCCN(c2cnccn2)C1 31294866 DXOTYLGYJNMHCE-XJKSGUPXSA-N 362.380 1.821 0 40 FDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 20725610 IRGMGYFEEXUGNA-LBPRGKRZSA-N 351.403 1.269 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102616109 GSDIQTDFMBFMIT-JHNDHUHGSA-N 372.421 1.557 0 40 FDAB CN(Cc1ccco1)C(=O)CSc1nnc(SCC(N)=O)s1 22533901 YWWVDOPFGUOSDJ-UHFFFAOYSA-N 358.470 1.459 0 40 FDAB CC(C)C(=O)NCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 22988428 YEDRXBIAVMKUPE-CMDGGOBGSA-N 371.481 1.827 0 40 FDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 23190555 FPTAEKBWYTUUHD-GFCCVEGCSA-N 367.396 1.914 0 40 FDAB Cn1ncc2c(N3CCN(c4ncnc5ccsc45)CC3)ncnc21 23618915 LPDRMVAEWYAXRC-UHFFFAOYSA-N 352.427 1.695 0 40 FDAB COc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1OC 23652852 GCVUTBPGKRUMGQ-UHFFFAOYSA-N 358.460 1.093 0 40 FDAB Cc1ccccc1CN1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 23639121 CFNUHQZPAQGVRJ-UHFFFAOYSA-N 365.477 1.998 0 40 FDAB CCOC(=O)N1[C@@H]2C=C(C)[C@@H](ON2C(=O)c2ccccc2)[C@H]2[C@@H](C)C(=O)N21 1013233 IGNFLHPTHATALL-SLBVQIDZSA-N 371.393 1.949 0 40 FDAB CCCCN(C(=O)[C@@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24764271 LSUSMMIHMBLWTA-LBPRGKRZSA-N 352.435 1.087 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CSc2ccccc2F)CC1 55227428 JTWRPLNQFYFWLT-ZDUSSCGKSA-N 365.474 1.729 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 3557820 BUDHZMYUNIQJES-INIZCTEOSA-N 370.361 1.812 0 40 FDAB CN(C)C(=O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 55792636 IBTABAYDZMNNET-MRXNPFEDSA-N 360.435 1.649 0 40 FDAB CCC1=NN(C(=O)C(=O)Nc2ccc(OC)cc2)[C@@](O)(C(F)(F)F)C1 4568633 WPNBEFVLUHAOOQ-AWEZNQCLSA-N 359.304 1.883 0 40 FDAB CN(CC(=O)NCCCO)S(=O)(=O)c1cc(Cl)ccc1Cl 6545219 WHSROPIXDYNMNH-UHFFFAOYSA-N 355.243 1.113 0 40 FDAB CCn1ncc(Cn2cc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)c1C 6633849 PPQOYZMMWPSTTC-UGUYLWEFSA-N 373.413 1.273 0 40 FDAB COCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C 6680207 BIFNDVKYQOOAOD-UHFFFAOYSA-N 359.429 1.530 0 40 FDAB O=C(Oc1cccc(-n2cnnn2)c1)c1ccc(N2C(=O)CCC2=O)cc1 7780351 TZSZGQWFVGMINH-UHFFFAOYSA-N 363.333 1.535 0 40 FDAB COC(=O)c1ccc(OCc2noc(C(=O)NCc3ccco3)n2)cc1 20726429 JWMJIZIPRNCGDO-UHFFFAOYSA-N 357.322 1.958 0 40 FDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2cccc(OC)c2)CC1 3281316 YNGXNDURVVKDFV-UHFFFAOYSA-N 351.428 1.484 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(OC3CCCC3)cc2)CC1 46163890 BWDFHCPVBLUKFJ-UHFFFAOYSA-N 359.470 1.854 0 40 FDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 12697685 SWVCAPYULVLXDC-OAHLLOKOSA-N 367.308 1.667 0 40 FDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C(N)=O)C1 12696277 GHRLWOPMFOCZIO-HUUCEWRRSA-N 360.458 1.048 0 40 FDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100288882 YGTSBWSWLUWAKN-FHZGENKASA-N 370.449 1.722 0 40 FDAB COC(=O)C1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 3312688 XAOQPOHYZMIPFN-INIZCTEOSA-N 372.421 1.719 0 40 FDAB O=C(Cn1cccn1)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145905 DGXZWXYSQJZNJS-IRXDYDNUSA-N 365.437 1.818 0 40 FDAB CN1CCN(c2ccc(CNc3nnnn3-c3ccccc3)cn2)CC1 12803740 XQDKBFHTBCWDOU-UHFFFAOYSA-N 350.430 1.421 0 40 FDAB O=C(Cc1cccs1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522358 RULBECOFWSEKDS-UHFFFAOYSA-N 373.482 1.266 0 40 FDAB CCC[C@@H]1NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9365119 XZULMLNRPGSUKN-BBRMVZONSA-N 374.441 1.571 0 40 FDAB COc1ncccc1C(=O)N1Cc2ccnn2[C@@H](COc2cccnc2)C1 306144729 ZNIFTSVOJJIROF-OAHLLOKOSA-N 365.393 1.958 0 40 FDAB O=C(/C=C/c1ccccc1)NCC(=O)OCC(=O)c1ccc2c(c1)OCO2 6537828 BLUSOYSEIMVDAI-RMKNXTFCSA-N 367.357 1.971 0 40 FDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1F 6542529 SKTFPSDMLPPMQT-LBPRGKRZSA-N 365.430 1.932 0 40 FDAB CCOC(=O)c1c(NC(=O)CNC[C@@H]2CCCO2)sc(C(N)=O)c1C 6578829 UURUZPABZQVTSV-JTQLQIEISA-N 369.443 1.039 0 40 FDAB O=c1[nH]c2c(c(=O)[nH]1)[C@H]1c3cc(Br)ccc3OC[C@@H]1CO2 6623940 GMUWEIQHPNRWBM-LHLIQPBNSA-N 351.156 1.359 0 40 FDAB biogenic CCc1ccccc1NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F 7679761 MLYNOGFPACPVQL-UHFFFAOYSA-N 374.363 1.507 0 40 FDAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CCNC1=O 7841037 OCZLGLCJAAJHDT-SNVBAGLBSA-N 358.427 1.707 0 40 FDAB O=C1CCc2cc(NC(=O)C(=O)N(CCO)Cc3ccccc3)ccc2N1 95953996 GHQAGSZUPVSFOV-UHFFFAOYSA-N 367.405 1.531 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C(N)=O)C2=O 8192111 VFJIWQYERZPWPH-XXFAHNHDSA-N 364.427 1.286 0 40 FDAB Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)CO)cc2c1[nH]c1ccccc12 8490851 RZPJYXQBFWXNQH-JQWIXIFHSA-N 354.410 1.640 0 40 FDAB biogenic CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1OCC 17333331 QDENFYWWGKCHMJ-UHFFFAOYSA-N 356.444 1.383 0 40 FDAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)NCCC1=CCCCC1 8774631 SASDVQKWQZKCJM-UHFFFAOYSA-N 363.439 1.342 0 40 FDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnn(-c2ccccc2)n1 8735081 MOBVBNBJKDVPOW-INIZCTEOSA-N 366.377 1.487 0 40 FDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 73742981 IZZZRQNDCXWYPX-ZDUSSCGKSA-N 354.248 1.988 0 40 FDAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 67896713 JDIBNEOYPHRNHA-IEBWSBKVSA-N 355.394 1.501 0 40 FDAB biogenic,in-vitro Cn1nccc1CN1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95999535 WCBJYDGPXHGUPU-CQSZACIVSA-N 359.396 1.091 0 40 FDAB COc1ccc(NC(=O)NCCS(=O)(=O)/N=c2/cccc[nH]2)cc1 72288957 JOBYFZNWHUUXLF-UHFFFAOYSA-N 350.400 1.076 0 40 FDAB Cc1occc1C(=O)NCC(=O)NCCc1ccc(S(C)(=O)=O)cc1 72304262 XXVDIGFZWABGSR-UHFFFAOYSA-N 364.423 1.080 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)/N=c2/sccn2C)n(C)c1 24466194 ZZACBKZMYDNBLZ-CCEZHUSRSA-N 356.473 1.197 0 40 FDAB CC(C)Cn1cc(C(=O)N2C[C@]34CCCC[C@]3(C2)CS(=O)(=O)C4)cn1 1551636222 IGADKSBWEKJWLM-ROUUACIJSA-N 365.499 1.970 0 40 FDAB c1cncc(-c2n[nH]cc2CNCc2ccnc(N3CCOCC3)c2)c1 550846150 CHYCHAUUVNJSNS-UHFFFAOYSA-N 350.426 1.993 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)C1=O 517733946 JIPWEMJUJDQVAX-TZMCWYRMSA-N 365.817 1.305 0 40 FDAB COc1ccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC 36360305 LPRGVABCTYZYOE-UHFFFAOYSA-N 355.354 1.940 0 40 FDAB O=C(NC[C@@H](Oc1ccc(F)cc1)C(=O)O)c1noc2c1COCC2 527595217 PAVSMIRAOPFCCO-CYBMUJFWSA-N 350.302 1.148 0 40 FDAB Cc1cc(NC(=O)CCN2CCc3cc(S(N)(=O)=O)ccc32)no1 32851089 JBQCFBQOQKCYJG-UHFFFAOYSA-N 350.400 1.022 0 40 FDAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCN(S(C)(=O)=O)CC1 74907355 KHMNTLMXVBEQSL-INIZCTEOSA-N 371.478 1.680 0 40 FDAB C[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326391 RMTINRJJBGOFRN-BLVKFPJESA-N 371.441 1.003 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cnns3)C2)cc1 188210439 TVXKEKOLLMHKGE-LBPRGKRZSA-N 366.468 1.886 0 40 FDAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2cnccn2)C1 225796272 RCKZZZYOUXELQL-MRXNPFEDSA-N 367.409 1.399 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccs1 40043187 VQKSSJPQZFGHGK-OAHLLOKOSA-N 358.467 1.821 0 40 FDAB CC[C@H](C)[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 230216564 KRDFPENFDWKNCS-YDHLFZDLSA-N 364.442 1.580 0 40 FDAB CSCC[C@H](NC(=O)c1ccc2nnnn2c1)c1nnc2ccccn12 96118693 UEKYRRIDWKXSGQ-LBPRGKRZSA-N 368.426 1.391 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC1CCN(CC(F)F)CC1 579645917 HTXGTQSURIHZRH-TZMCWYRMSA-N 353.479 1.414 0 40 FDAB O=C(c1ccnnc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047090 ZKMFBAOWFBOAHZ-GOSISDBHSA-N 352.398 1.035 0 40 FDAB COCCNC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)c1 520812677 DIQPMZUANBBXIS-DOMZBBRYSA-N 363.414 1.637 0 40 FDAB CCn1nc(C)c(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c1C 585085668 VOSHAGPMBLQBDM-GOSISDBHSA-N 358.417 1.901 0 40 FDAB CN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257210513 BUYWSBDIDPYFQB-UHFFFAOYSA-N 362.459 1.601 0 40 FDAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 257270758 MVNZSOROEQLPNC-HNNXBMFYSA-N 355.442 1.271 0 40 FDAB CNc1cc([C@@H]2CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)ccn1 257334301 YFIAHPXGULERLP-CYBMUJFWSA-N 357.414 1.950 0 40 FDAB COCc1c(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)noc1C 257240772 HVDSHMZXVLIVLA-CYBMUJFWSA-N 359.430 1.987 0 40 FDAB CCc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)c1 252140020 GSDLPPZTQOCNCB-MDMSPXHWSA-N 365.426 1.370 0 40 FDAB C[C@@H]1CN(c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)C(=O)O1 257293451 QPMFVSLKIGBEIE-LLVKDONJSA-N 354.432 1.036 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCCCN3S(C)(=O)=O)C2)cn1 257245080 IOAQCXAVVHERAI-DZGCQCFKSA-N 352.460 1.061 0 40 FDAB O=C(CN1CC(=O)N(CC2CC2)C1)Nc1ccc(N2CCCCC2)nc1 279155611 ZEKXEYSTECXJLM-UHFFFAOYSA-N 357.458 1.522 0 40 FDAB CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C[C@H](C)O)cc1 279752242 LFUAMLLJXBUBJB-YOEHRIQHSA-N 368.499 1.892 0 40 FDAB CN(C)c1n[nH]c(NC(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)n1 644476872 HSFLUDBCLHHTNV-SFHVURJKSA-N 358.446 1.226 0 40 FDAB C[C@H]1CN(c2ccc3cn[nH]c3c2)C(=O)CN1C(=O)Cc1cnccn1 77288155 BWXUXWFJHRMCSG-LBPRGKRZSA-N 350.382 1.159 0 40 FDAB COCC1(CC(=O)N2CCCCC[C@H](Nc3ccc4nnnn4n3)C2)CC1 1615611246 ZIRRCFPGPUYPSH-AWEZNQCLSA-N 373.461 1.519 0 40 FDAB Cn1nc(CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1Cl 1643469912 ZURNLENJIOMQDZ-UHFFFAOYSA-N 371.875 1.900 0 40 FDAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124275 MLDUOMPKKWXZBI-ZZXKWVIFSA-N 367.438 1.481 0 40 FDAB CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 575404874 FDEUKMKAOLLRLH-KRWDZBQOSA-N 362.474 1.890 0 40 FDAB Cc1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423229 ZKHJIHAJENVFHN-IYBDPMFKSA-N 357.497 1.171 0 40 FDAB CCS(=O)(=O)C1CN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)C1 653959775 IRKKVLHADJOWTK-UHFFFAOYSA-N 364.471 1.233 0 40 FDAB COCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 585095841 OYPAJRNUYMDRDM-ZDUSSCGKSA-N 356.373 1.061 0 40 FDAB CN(C1CCN(Cc2c[nH]c3ccccc23)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585290982 JTBAWGJHBFHOAU-AQNXPRMDSA-N 359.470 1.185 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@@H]1CCOC1 585096254 CXVBKGXAYNCSHZ-CHWSQXEVSA-N 358.398 1.346 0 40 FDAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1cccn1C 585097377 KMMXGEJMJLSGPH-ZDUSSCGKSA-N 352.398 1.808 0 40 FDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]2CO[C@@H]1O2 952844852 NYJDXSPWRKEDML-DGXTUMSLSA-N 362.361 1.178 0 40 FDAB biogenic,in-vitro O=C(NCc1ccco1)N1CCC(NS(=O)(=O)c2cccs2)CC1 54027261 VCNFKZHVSBIOLE-UHFFFAOYSA-N 369.468 1.994 0 40 FDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 76094122 QSVXZGWKBFKEOR-RYUDHWBXSA-N 350.481 1.429 0 40 FDAB CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 107336689 OJZUPDRDUYKPMB-COPLHBTASA-N 357.453 1.331 0 40 FDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3cnn(C)c3C)CC1)O2 12225691 RQMMYGCAWVXPLE-UHFFFAOYSA-N 368.437 1.834 0 40 FDAB C[C@H](O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2 12346983 SPBGVRGAJXNYKV-WPPNPWJKSA-N 356.209 1.824 0 40 FDAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)CC1 15399188 SRPGWNXMCKGBLU-SFHVURJKSA-N 365.380 1.990 0 40 FDAB Cc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3oc(C)cc3n2)c1 15733924 LUHUYEXKHFKTES-UHFFFAOYSA-N 355.350 1.378 0 40 FDAB C[C@](O)(C(=O)NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 19458944 IPITWAQOSNXCEK-LJQANCHMSA-N 353.378 1.527 0 40 FDAB CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(CC)CC1 19500665 ADIIGDCAUDLQST-OAHLLOKOSA-N 358.446 1.539 0 40 FDAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3cn[nH]c3)C2)n1 1888897301 RGGQXYJOBZKFLA-UHFFFAOYSA-N 351.366 1.339 0 40 FDAB Cc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)nc(C2CC2)n1 1888900879 FAJABBJTNVZWSS-UHFFFAOYSA-N 362.441 1.965 0 40 FDAB COc1cc(CNC(=O)CCn2ccn3nccc3c2=O)cc(OC)c1 1888913832 PYRBWOULBKFJKP-UHFFFAOYSA-N 356.382 1.220 0 40 FDAB O=C(c1csnn1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565544006 ZKASVIPPKQKAIN-UHFFFAOYSA-N 357.439 1.731 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 1565549760 BRDCMYGLMAATPP-IAOVAPTHSA-N 361.417 1.392 0 40 FDAB CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4281750 UYQCFLGALMXEAP-UHFFFAOYSA-N 367.452 1.610 0 40 FDAB CCCCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 4314419 SZRZZQWVBASOJG-LBPRGKRZSA-N 359.430 1.716 0 40 FDAB Cc1cccc(Cn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4370659 XAKUFCVNZLHPGI-UHFFFAOYSA-N 351.410 1.660 0 40 FDAB Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3cccs3)nnc12 20132376 DXYULPSNYVHKSG-UHFFFAOYSA-N 373.463 1.953 0 40 FDAB 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CN(Cc1cnccn1)C(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 630673593 PKYICLBBMMEGKO-DLBZAZTESA-N 354.410 1.553 0 40 FDAB COc1ccc(CN2CCC[C@](O)(CC(N)=O)C2)c(Br)c1 643747935 SROLRKROFKVFOJ-HNNXBMFYSA-N 357.248 1.660 0 40 FDAB CN(C)C(=O)[C@H]1OC2(CCN(C(=O)C3CC(O)C3)CC2)c2ccccc21 585109788 UNJUQGPKIQJCTM-KVULBXGLSA-N 358.438 1.435 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 585113080 ZCKXUBASDQEJRW-XJKCOSOUSA-N 361.442 1.856 0 40 FDAB CN(CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Cc1ccncc1 585280682 NGJXJKNPWLQKIQ-UXHICEINSA-N 353.466 1.966 0 40 FDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1ccn(C)n1 585096869 DVDZQVZNKXJJJP-GFCCVEGCSA-N 353.386 1.203 0 40 FDAB CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)c3ccccc3F)[C@@H](O)[C@@H]21 585262322 ZPCUWOQZXNPQSK-UTRMSSBJSA-N 370.380 1.871 0 40 FDAB Cc1csc(CCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)n1 41882917 UGXIGLDWVFOEKG-UHFFFAOYSA-N 372.450 1.641 0 40 FDAB CCCn1nnnc1COC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 11762270 HTQBNALJRQILEY-INIZCTEOSA-N 359.430 1.889 0 40 FDAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1COCCO1 15936074 NVNWGRLBTBGISV-AWEZNQCLSA-N 363.801 1.095 0 40 FDAB CC(CO)(CO)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17971664 VODJPMSJPOSWAP-YHFFBGSDSA-N 363.413 1.622 0 40 FDAB O=CN1CN(C=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 18024922 AJINOUDPNVVCSN-CALCHBBNSA-N 368.345 1.241 0 40 FDAB C[C@H]1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CC[C@@H]1O 19497759 MQGHKLWIBFAJMY-QUTZXPLZSA-N 372.465 1.967 0 40 FDAB O=C(N[C@H]1CCSC1=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 227610162 JQCIPIRGELUMHC-STQMWFEESA-N 372.454 1.027 0 40 FDAB COc1ccc(Cl)c(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)c1 647930247 VYOMHTUPVPOWQS-CYBMUJFWSA-N 370.814 1.718 0 40 FDAB CC1(C)C(=O)NCCN1C(=O)CCCS(=O)(=O)c1ccc(F)cc1 12234751 XEHBYCTWNRRVPF-UHFFFAOYSA-N 356.419 1.117 0 40 FDAB O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCC1CCCCC1 12422904 MIFDASRDWMBQIV-ZDUSSCGKSA-N 364.471 1.599 0 40 FDAB COCCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(C)=O)C2 19018059 XDLXZOIRKMEKKC-OAHLLOKOSA-N 362.430 1.177 0 40 FDAB Cc1ccc2sc(N3CCO[C@H](C(=O)N4CCOCC4)C3)nc2c1C 1889139078 SBOJUYWIIZFSSU-AWEZNQCLSA-N 361.467 1.977 0 40 FDAB Cc1c(C(=O)Nc2ccc3c(c2)C(=O)NC3)cnn1-c1ccc(O)nn1 1117681348 FIOBTTOEHPPMBJ-UHFFFAOYSA-N 350.338 1.172 0 40 FDAB CCn1cc(C(=O)N2CC[C@@H]3OCC(=O)N(c4ccccc4)C[C@H]3C2)cn1 2037984439 BKINBESKMTZKHU-AEFFLSMTSA-N 368.437 1.797 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)o1 1614936434 XZDYQSGAHXRGMD-FVQBIDKESA-N 355.394 1.956 0 40 FDAB O=C1[C@H]2CN(Cc3n[nH]c4c3CCC4)C[C@@H]2C(=O)N1Cc1ccccc1 2087133667 AOGXOIJSDXJEBB-HOTGVXAUSA-N 350.422 1.515 0 40 FDAB COc1cc(C(=O)N2CCCC3(CCN(c4cncnc4)CC3)C2)on1 1565556537 NCDSACUCIDPXTD-UHFFFAOYSA-N 357.414 1.996 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3)nc21 4338343 YKLGATNMXSAOIR-UHFFFAOYSA-N 361.361 1.883 0 40 FDAB O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)N1CCOCC1 9573949 CWGQLTFYHFKHRB-UHFFFAOYSA-N 363.418 1.520 0 40 FDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccc(F)cc2)C1 2055771483 BPIPGPGTKXFBDY-IBGZPJMESA-N 358.417 1.671 0 40 FDAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@@]2(C[C@H](n3cnnc3)CO2)C1 2055837483 KKVYXJGOPWHSTQ-SWLSCSKDSA-N 367.331 1.938 0 40 FDAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769289 LQOMGXFSPVGZKA-INIZCTEOSA-N 357.410 1.086 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@H]4CCCO4)cc1c32 101078888 VBLUJQMKVNITBV-RISCZKNCSA-N 357.410 1.317 0 40 FDAB O=C1CCC(=O)N1CCOCCNC(=O)C1(c2ccccc2)CCOCC1 575621218 ZNAOYWLGSSGPEM-UHFFFAOYSA-N 374.437 1.017 0 40 FDAB C[C@H]1Cc2ccccc2N1CCC(=O)N1CCN(c2ncccn2)CC1 32777936 HTUOLUZSAKODML-INIZCTEOSA-N 351.454 1.967 0 40 FDAB O=c1n(CCN2c3cccc4cccc(c34)S2(=O)=O)nc2ccccn12 32777019 XJNFFBWBHMBWAZ-UHFFFAOYSA-N 366.402 1.858 0 40 FDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)nc2)cc1OC 42282083 SENXURVHXDDVNZ-UHFFFAOYSA-N 356.787 1.871 0 40 FDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CCCO2)c(=O)[nH]c1=O 23077467 GAPSJJBCMKPBNP-GFCCVEGCSA-N 352.435 1.087 0 40 FDAB C[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)[C@@H]1C[C@H]2CC[C@H]1C2 104722551 DIECMOVIMYFRFO-YTFOTSKYSA-N 365.503 1.885 0 40 FDAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 55219267 RZINSIGUCWGATE-HUUCEWRRSA-N 356.488 1.781 0 40 FDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCN(C(C)C)C(C)C)c1 24925520 LNWGMSIUYQGQRC-UHFFFAOYSA-N 355.504 1.752 0 40 FDAB CCOC(=O)C(NC(=O)COc1c(C)cc(C)cc1C)C(=O)OCC 25975488 LFAKODLZPRGCIS-UHFFFAOYSA-N 351.399 1.602 0 40 FDAB O=C(CCNC(=O)OCC(F)(F)F)NC[C@@H]1COc2ccccc2O1 57183346 RAKWIMDNFCZXBU-SNVBAGLBSA-N 362.304 1.621 0 40 FDAB COC(=O)C[C@@H](NS(=O)(=O)N(C)C)c1cccc(Br)c1 58251406 JFBVFCMXSITYMD-LLVKDONJSA-N 365.249 1.449 0 40 FDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1 2131462 JCLFUUIUMCQGCN-INIZCTEOSA-N 367.361 1.022 0 40 FDAB biogenic Cc1cc(C)cc(OCCCN2CCN(S(=O)(=O)N(C)C)CC2)c1 36396639 WZBVWZUFPFIMCP-UHFFFAOYSA-N 355.504 1.496 0 40 FDAB CC(C)CCN1C(=O)C[C@H](N(C)Cc2nc3ccccc3c(=O)[nH]2)C1=O 28890600 LLGPLMWTJJPDCV-HNNXBMFYSA-N 356.426 1.529 0 40 FDAB O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 45750580 QMLCMYIGQGLHSJ-MLGOLLRUSA-N 359.401 1.448 0 40 FDAB COCCNC(=O)NC(=O)CN1CCC[C@H]1c1cc(OC)ccc1OC 12775118 VRCZWTYHQNGDOI-HNNXBMFYSA-N 365.430 1.313 0 40 FDAB COc1ccc2nnc(CCC(=O)NCCc3ccccc3OC)n2n1 71288225 ABJRAWQEHCUYLX-UHFFFAOYSA-N 355.398 1.433 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)c1 3326488 CHVITORSKSQBLL-UHFFFAOYSA-N 354.428 1.001 0 40 FDAB CC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)cc2)CC1 71282895 YADUHQOADMKECW-HOTGVXAUSA-N 359.426 1.650 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1C 3486231 GBNINCCJIHROEF-LBPRGKRZSA-N 363.414 1.957 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1C[C@H]2OC[C@@H](CN3CCCC3)[C@H]2C1 306137335 QTJXXVMCEAHAKI-KBRIMQKVSA-N 354.447 1.557 0 40 FDAB O=C(c1cccc2ccccc12)N1CCN(c2ccc3nnnn3n2)CC1 12972338 PPHLFKMVTHMLCT-UHFFFAOYSA-N 359.393 1.635 0 40 FDAB COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@H](C)C(=O)[C@@H](C)[C@H]3[C@]23C=C[C@H]1O3 4041338 VEGDJTLZYKPHPF-VHXNRBNISA-N 371.389 1.499 0 40 FDAB biogenic O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 13571520 MJPXQIPDTKLBDF-UHFFFAOYSA-N 366.396 1.954 0 40 FDAB Cc1nnc(COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)o1 39542745 WSYSFWGBKIPQKL-UHFFFAOYSA-N 359.791 1.395 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 6275345 ZLEMWYFJNOGNBS-UHFFFAOYSA-N 374.462 1.801 0 40 FDAB O=C(COC(=O)CCc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 6375449 CLMDCUGAQAVEGK-UHFFFAOYSA-N 373.409 1.448 0 40 FDAB O=c1[nH]c(O)ncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 4480004 FOZGEPSBEHHSAX-UHFFFAOYSA-N 371.418 1.867 0 40 FDAB Cn1cc(/C=C/C(=O)NCC(=O)Nc2ccccc2Br)cn1 14018828 QLYXMQTXWKADKZ-VOTSOKGWSA-N 363.215 1.951 0 40 FDAB COCCN1C(=O)C(=O)N(CN2CCC(Cc3ccccc3)CC2)C1=O 14161758 TYPKGCTYIMOJLH-UHFFFAOYSA-N 359.426 1.336 0 40 FDAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 4505316 ODCHVKHAWWRKHE-ZDUSSCGKSA-N 361.485 1.673 0 40 FDAB CC(C)(CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)N1CCOCC1 14233260 DHJHFQBIEXEFIG-HNNXBMFYSA-N 363.483 1.717 0 40 FDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1 14203670 HMLUEIZQDPTNFV-AWEZNQCLSA-N 370.453 1.725 0 40 FDAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NC[C@H]3CCCO3)C2=O)cc1 6561950 YHMAJDHDTPDWIT-XDPMZMSMSA-N 359.382 1.321 0 40 FDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C(=O)NC)cc1 97013965 ULJPSTGVIIDCGF-ZDUSSCGKSA-N 363.443 1.014 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(Cl)cc2F)c(=O)[nH]c1=O 9483182 JKGSMUCLIOOEMR-UHFFFAOYSA-N 368.796 1.988 0 40 FDAB NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2ccccc2c1O 7358075 QLXKIWNGTZOQKD-HNNXBMFYSA-N 356.378 1.569 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2cccc(O)c2)cc1S(N)(=O)=O 9513097 IVNOHRKRIVJKSI-UHFFFAOYSA-N 364.379 1.144 0 40 FDAB CCO[C@H](C)c1noc(CN2CCN(C(=O)c3cscn3)CC2)n1 81173448 RJNYVNXBOMWKJS-LLVKDONJSA-N 351.432 1.582 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 7986228 RAFXOZPWWMVBIR-AWEZNQCLSA-N 365.407 1.678 0 40 FDAB O=C(C[S@](=O)Cc1nnnn1-c1ccccc1)N1CCc2ccccc21 71801227 HXWTXDSOXNEWIY-SANMLTNESA-N 367.434 1.500 0 40 FDAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 8134788 NWSZLNMMODCSES-UHFFFAOYSA-N 365.437 1.561 0 40 FDAB O=C(Nc1ccccc1)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 306143068 XSLSHGZWECNURH-LJQANCHMSA-N 367.409 1.626 0 40 FDAB C[C@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(O)cc1)C(=O)NCc1ccco1 95436708 CQYIJUMHLKMBKE-LRDDRELGSA-N 360.410 1.866 0 40 FDAB C[C@@H](NC(=O)NCCN1CCCC1)c1cccc(NS(C)(=O)=O)c1 89905261 PMSPJSDKGBXFOW-CYBMUJFWSA-N 354.476 1.514 0 40 FDAB CC(C)(C)NC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547200956 DDJXKYYHUDFYCU-UHFFFAOYSA-N 363.805 1.601 0 40 FDAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306125643 CWTDNLBESIHQND-UHFFFAOYSA-N 371.441 1.878 0 40 FDAB CN(C)C(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 306130657 JMJONJKVMCCVBE-NEPJUHHUSA-N 372.404 1.455 0 40 FDAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)N3CCOCC3)CS[C@@H]21 2160125 MUKKACSUTKWROH-DIFFPNOSSA-N 364.423 1.132 0 40 FDAB biogenic CCOC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O 32609543 WBSALRRLAKNGLS-UHFFFAOYSA-N 364.423 1.879 0 40 FDAB COc1ccccc1OCC(=O)N1C[C@H]2OC[C@@H](CN3CCCC3)[C@H]2C1 306134365 NLBNYOARGGBBMI-GPMSIDNRSA-N 360.454 1.643 0 40 FDAB COc1ccc(CNc2nc(N3CCOCC3)c3nccnc3n2)cc1 32097055 LOGVITFOMMWYTN-UHFFFAOYSA-N 352.398 1.877 0 40 FDAB C[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)Oc2ccccc2N=C1O 36357540 LAIYSFSEJLPMLF-MRXNPFEDSA-N 361.379 1.712 0 40 FDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cnn(C)c1C)CC(O)=N2 71280175 VTTYPXJTTIDIJV-VXGBXAGGSA-N 363.443 1.717 0 40 FDAB CNc1nc(N2CCC(n3cc(C(=O)O)nn3)CC2)nc2ccccc12 566297085 DFQOTQVZIFCNEE-UHFFFAOYSA-N 353.386 1.803 0 40 FDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71980265 BQLFSKJHOVLHSE-OAHLLOKOSA-N 350.390 1.953 0 40 FDAB CN1CCCN(C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)CC1 75163726 JNFQRZPLWZXWCQ-UHFFFAOYSA-N 354.336 1.459 0 40 FDAB CCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 49604849 YDLNPHJWNBMKMD-UHFFFAOYSA-N 351.472 1.678 0 40 FDAB O=C(Cn1ccnc1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 577117773 SPPFVOLFUXFUNJ-LJQANCHMSA-N 362.433 1.927 0 40 FDAB COCC(=O)N1CC[C@@H](c2ccn(CC(=O)N(C)C)n2)c2ccccc21 96260805 SPUZKHNPSQCWNA-CQSZACIVSA-N 356.426 1.486 0 40 FDAB Cn1cc(CN2CC[C@@]3(C[C@H](NC(=O)c4ccccc4)CCO3)C2)cn1 96209224 ZJOAHKIHEZRVOX-UYAOXDASSA-N 354.454 1.974 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106121 HONVQEIPBSEFTO-OAHLLOKOSA-N 352.456 1.824 0 40 FDAB Cn1cnc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 91774805 PTRHJQHREUPNEW-UHFFFAOYSA-N 368.363 1.866 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)N1CCOCC1)CN(CCc1ccccc1)C2 248060368 UNWCTNYGSSRIGW-KRWDZBQOSA-N 354.454 1.421 0 40 FDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21)c1ccnnc1 247420572 RBWFHCQHJWZWBS-JFIYKMOQSA-N 356.401 1.493 0 40 FDAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)c1cccnc1OC)CC2 247943265 OCESUYXSCLAVMS-OAHLLOKOSA-N 361.442 1.437 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257292170 QKHDGLVUJWMZHM-CQSZACIVSA-N 357.414 1.623 0 40 FDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCn3nnc4ccccc43)CCO2)n1 257206346 BCYDUILRFHPPTI-INIZCTEOSA-N 354.414 1.463 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cc(C)on3)CC2)cn1 257316193 VENSIQHQZNJCQK-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)C[C@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C 257348206 CEOUYEBWMNZTMV-DXNRTYHRSA-N 366.498 1.797 0 40 FDAB Cc1cc([C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)CCO2)ccn1 257276744 NUYAKLSUPUUBQQ-QGZVFWFLSA-N 353.378 1.898 0 40 FDAB CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257284985 PFDWNKLPLUFRPX-BFYDXBDKSA-N 366.433 1.044 0 40 FDAB O=C(C1CCNCC1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257277470 NYCOMGIXTNIJLO-QGZVFWFLSA-N 359.461 1.461 0 40 FDAB CC(C)c1nnc(CCC(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)o1 257302519 SDEYXNADBORQGS-SFHVURJKSA-N 359.430 1.278 0 40 FDAB C[C@@H]1CN(C(=O)[C@](C)(CC(=O)O)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 634919780 VBKPDBPZNUCXHK-UPRAQXHNSA-N 365.401 1.965 0 40 FDAB Cn1cc([C@@H]2OCC[C@H]2CNS(=O)(=O)c2cccc(Cl)c2O)cn1 632456968 SGONFDWPEBYCIW-ZUZCIYMTSA-N 371.846 1.835 0 40 FDAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cc(Cl)sc1Cl 1616045021 UFZUIHBZOUVYND-YUMQZZPRSA-N 373.283 1.666 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]21 585109409 NPLULTQCAPCIDT-OWCLPIDISA-N 364.467 1.520 0 40 FDAB CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 585282656 MFKLXXDMYSKBSB-OALUTQOASA-N 366.433 1.013 0 40 FDAB Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)CCn3cncn3)[C@H]2O)cc1 585283562 BTOXJTTVOYNYTG-SZVBFZGTSA-N 358.442 1.701 0 40 FDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)/C=C/c2c(C)nn(C)c2C)C1 585289803 NYAKCCFBPBYXNF-IHHMQQGQSA-N 362.474 1.584 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O 585093304 OJIPLKOMYFBVFI-MRXNPFEDSA-N 353.369 1.428 0 40 FDAB Cc1cncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)c1 585096740 BTAXMLHLUAZNBD-INIZCTEOSA-N 353.426 1.624 0 40 FDAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccccc2)[C@@H](O)C1 585285772 SWEOKUBQCPBFHA-UNMCSNQZSA-N 368.477 1.733 0 40 FDAB O=S(=O)(NCCCN1CCOCC1)c1cccc(Cl)c1Cl 47213720 PTNYEIYACCSYIS-UHFFFAOYSA-N 353.271 1.994 0 40 FDAB CCCn1ccnc1CN1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 1615191929 XYTCBUQVFNOHMP-NVXWUHKLSA-N 357.458 1.833 0 40 FDAB Cc1ccc2c(c1)CN(C(=O)c1ccc(O)nn1)CC1(CCN(C)CC1)O2 19219523 SDOZQLBPVIRYCK-UHFFFAOYSA-N 368.437 1.990 0 40 FDAB CCCc1nnsc1C(=O)N1CCC[C@@]1(C)C(=O)N1CCOCC1 19746610 FEXWTFNCGNFFFM-INIZCTEOSA-N 352.460 1.344 0 40 FDAB CCOC(=O)N1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 19809484 COTFHGVELOLMCK-AWEZNQCLSA-N 368.430 1.218 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937267 RPYGGPPGWVFLHO-UHFFFAOYSA-N 370.390 1.337 0 40 FDAB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1 8166012 CXJXMXWHPPIWCJ-TWGQIWQCSA-N 356.294 1.965 0 40 FDAB CC(=C\C(=O)O)/C=C(\C)C[C@](C)(O)CCCC[C@H](O)[C@@H](CO)C(=O)O 31160671 NFWPIHPKFCOGJO-VJSKKKPDSA-N 358.431 1.719 0 40 FDAB biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc32)cc1 3366832 VNBXOAIZAJCXKM-UHFFFAOYSA-N 359.451 1.938 0 40 FDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(N)=O 5992126 RVXOLDWVHALSSE-SNVBAGLBSA-N 366.370 1.657 0 40 FDAB COc1ccc2c(=O)n(CC3CCN([C@H]4CCN(C)C4=O)CC3)cnc2c1 1848593515 PRCYARKWYAUOSJ-SFHVURJKSA-N 370.453 1.348 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1N1CCOCC1 6510122 ATZGZOZGOQYCNS-UHFFFAOYSA-N 364.405 1.941 0 40 FDAB CCOc1ccc(NC(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 7029279 UHIKECNMNJIWDD-NSHDSACASA-N 371.397 1.032 0 40 FDAB O=C(c1nccc(C(F)(F)F)n1)N1CCN(Cc2ccccn2)CC1 1888844000 MERXDPGNCDZTDI-UHFFFAOYSA-N 351.332 1.848 0 40 FDAB CCc1c(C)nc(C)nc1N1CCN(c2ncnc3c2ncn3C)CC1 1888882250 HNLIBHBKJAMWSS-UHFFFAOYSA-N 352.446 1.659 0 40 FDAB O=C(Cn1cccn1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238911053 SEVACAOKCDUYJD-GFCCVEGCSA-N 351.204 1.721 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(SC)cc1 41922286 JUYWPKHWRBLNFA-UHFFFAOYSA-N 373.500 1.135 0 40 FDAB COCCN1CCCC2(CCN(C(=O)CC3(OC)CCC3)CC2)C1=O 1565548611 GHECWKOWBXKGOG-UHFFFAOYSA-N 352.475 1.823 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565549402 WMCZRCIZUSFDEH-HNAYVOBHSA-N 374.416 1.294 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4371035 OKOBURQTIGWXHJ-GGXPGOJBSA-N 366.385 1.992 0 40 FDAB Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)c(C)c1 4940497 YBGAJGABBOBGPH-UHFFFAOYSA-N 355.398 1.149 0 40 FDAB Cn1cc(CN2CCC(C(=O)NCC(F)(F)F)(n3ccnc3)CC2)cn1 2055704298 DHXALVDVMLHSBM-UHFFFAOYSA-N 370.379 1.286 0 40 FDAB COc1ccc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc1F 2086861229 WQEQCJVOUVPXHT-INIZCTEOSA-N 354.447 1.611 0 40 FDAB CCOC(=O)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38731037 IIVDOMIYKCVQGO-UONOGXRCSA-N 364.467 1.866 0 40 FDAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ncc(Cl)cn2)CC1 585500403 HERYIBXQBCRRFJ-UHFFFAOYSA-N 372.820 1.184 0 40 FDAB NC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)c2ccccc2C1=O 4135090 LFZJEQONZFSGGT-UHFFFAOYSA-N 363.329 1.766 0 40 FDAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1 4373614 ZIWRIDAJHFQIHW-LBPRGKRZSA-N 368.393 1.721 0 40 FDAB CC(=O)N[C@H](CC(=O)NC1CCN(c2ncccn2)CC1)c1cccs1 40106645 PKQXCGJBEXVRAD-OAHLLOKOSA-N 373.482 1.891 0 40 FDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3ccccc3)cc1)NC(=O)N2 20745324 OOSKGBBLTSDWIM-INIZCTEOSA-N 362.389 1.976 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1F 103576344 MKNYTQSTQZMWMH-OKILXGFUSA-N 362.401 1.968 0 40 FDAB COC(=O)C[C@@H]1C(=O)NCCN1CCOc1cccc(Br)c1 24210806 IFMJRZXARDHZRO-CYBMUJFWSA-N 371.231 1.191 0 40 FDAB C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CCS(=O)(=O)C1 24448201 XGIMVNZTOYOCSO-MEDUHNTESA-N 370.858 1.386 0 40 FDAB COc1ccc(N([C@@H](C)C(=O)NCc2ccncc2)S(C)(=O)=O)cc1 886434 LBBJUEDWLMPKLF-ZDUSSCGKSA-N 363.439 1.561 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)Oc2ccc(S(N)(=O)=O)cc2)cc1 6214491 RQBCDILYMQJTAQ-UHFFFAOYSA-N 370.408 1.120 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2CCC2)cc1 6639763 DBIYIBHSTOCLBL-UHFFFAOYSA-N 368.455 1.999 0 40 FDAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7982785 QPTQYXRAICUDJB-LLVKDONJSA-N 367.361 1.401 0 40 FDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 8204969 FJKYTVHZRDKPFO-HNNXBMFYSA-N 352.843 1.976 0 40 FDAB Cc1nc(SCCn2cccn2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 58165928 PLQFPLBQIGFBDQ-UHFFFAOYSA-N 374.470 1.443 0 40 FDAB CN1CCN(c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)CC1 58193033 SZUTZWXDZZHQBQ-UHFFFAOYSA-N 364.446 1.451 0 40 FDAB O=C(NC1CC1)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCC2 102340833 BEZSNKPYAQOTLM-LWWSYDQCSA-N 372.446 1.796 0 40 FDAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1 11010676 WAFRVAUNLTVVAP-WDEREUQCSA-N 359.831 1.953 0 40 FDAB Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614566 YDHFGMMOIYWVKN-UHFFFAOYSA-N 362.455 1.676 0 40 FDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 113965023 SPJURZSAMWCPLP-UHFFFAOYSA-N 362.398 1.370 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)NCCSc2ccccc2)n(C)c1 29704454 BJNFDQZAGHHCIR-UHFFFAOYSA-N 353.469 1.455 0 40 FDAB COc1cc(CNC(=O)c2c(C)nn(C)c2C)ccc1OCC(=O)N(C)C 46909353 XHMWUSBRXIFJJX-UHFFFAOYSA-N 374.441 1.443 0 40 FDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCCCC1 3329672 DLYQVHVCTKPNRY-MRXNPFEDSA-N 354.410 1.643 0 40 FDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 3433654 XVGDMEVFUKGCGF-UHFFFAOYSA-N 367.471 1.716 0 40 FDAB C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCNC(=O)C1 3443174 UDMWREHWUJVVTN-CQSZACIVSA-N 351.406 1.676 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 3526039 XQIKJYVNEQGYJX-UHFFFAOYSA-N 369.377 1.576 0 40 FDAB O=C(O)c1ccc(-n2ncc(N3CCC[C@H](CO)C3)c(Cl)c2=O)cc1 13277163 JIWRJBJUSMZIRM-NSHDSACASA-N 363.801 1.793 0 40 FDAB Cc1nnc(COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n1C1CC1 95460141 NJPSHEYVBSTWRH-UHFFFAOYSA-N 368.393 1.927 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13573424 GHLXWEHCRWFQQO-XZJUPHOLSA-N 355.438 1.842 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 9315689 XPTYQQOJVSJJGX-UHFFFAOYSA-N 372.406 1.224 0 40 FDAB Cc1nc2c3ccccc3nc(SCC(=O)NC(=O)NC(C)C)n2n1 14093061 OUWNWXNXGHZVQX-UHFFFAOYSA-N 358.427 1.912 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)CSc3ccccc32)C1 4591029 UYKHDWRGKMZZSH-ZDUSSCGKSA-N 362.451 1.927 0 40 FDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCC(=O)N1 14201164 RUCRIMQNPWFNNE-LLVKDONJSA-N 354.204 1.091 0 40 FDAB CCCCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 95468490 WQHBAQZMXTVJEN-MRXNPFEDSA-N 361.490 1.558 0 40 FDAB COc1ccc(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 14705276 COYLZQDEADKWLZ-UHFFFAOYSA-N 374.418 1.867 0 40 FDAB COCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(N2CCCC2)n1 67256925 MTYWVXBKFNJZFM-UHFFFAOYSA-N 356.426 1.653 0 40 FDAB NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 5980767 HMJSXBCUKIFUKG-UHFFFAOYSA-N 374.418 1.470 0 40 FDAB CCCC[C@@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O 7425782 VEPNMRYQAJBKQI-VXGBXAGGSA-N 351.451 1.432 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)cc1 7530299 KSVYUKXYZVMJGE-UHFFFAOYSA-N 357.443 1.834 0 40 FDAB CCn1cnnc1CNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 83843660 HUDLATKCTWBPHE-HOTGVXAUSA-N 359.430 1.332 0 40 FDAB CCc1nn(C)c(OC)c1CNC(=O)c1ccc2c(c1)CCC(=O)N2C 93024471 RROYLHIGLPSXDR-UHFFFAOYSA-N 356.426 1.830 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 20150398 ISDWVUPBHPGSMC-MMMWYMCRSA-N 370.430 1.692 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OCC(C)C 409004580 XPOYDAFLWZSZRT-ZDUSSCGKSA-N 351.403 1.568 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1cn(C)cn1)C2 306123175 AGDVFBXSEWXTQM-MRXNPFEDSA-N 369.469 1.568 0 40 FDAB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 56997139 WXDBCLNWHGHBRX-UHFFFAOYSA-N 353.422 1.967 0 40 FDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408656361 MAEBFSCZBRPSDY-MWWQWXOXSA-N 372.377 1.324 0 40 FDAB CNC(=O)c1c(NC(=O)c2cn(C)nc2-c2ccccc2OC)n[nH]c1C 1543433493 MEWUJERPAICOIC-UHFFFAOYSA-N 368.397 1.739 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCn3cccn3)CCOCC2)o1 1547138529 CBTHXBIRCHOHQQ-UHFFFAOYSA-N 361.398 1.105 0 40 FDAB biogenic Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NC[C@H]2CCCO2)n1 36614976 FPQXHGYBEFRTCB-SECBINFHSA-N 359.308 1.550 0 40 FDAB CCCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217650635 QCMZILIZIOOVPO-UHFFFAOYSA-N 356.444 1.690 0 40 FDAB Cn1ccc2c(C(=O)N3CCC(n4cc(C(=O)O)nn4)CC3)cccc21 564100920 OAPMYGDWWBGVRR-UHFFFAOYSA-N 353.382 1.945 0 40 FDAB Cn1nc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc2c1=O 72403717 RGIMGDIIRYHVHA-NSHDSACASA-N 357.395 1.889 0 40 FDAB Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1 565280364 WQWQERXHKAPXCC-UHFFFAOYSA-N 364.427 1.011 0 40 FDAB O=S(=O)(c1cncc(Cl)c1OCc1ccccc1)N1CCNCC1 72210783 NPWIVQTUXPIAAD-UHFFFAOYSA-N 367.858 1.908 0 40 FDAB CC(=O)N1CCN(C(=O)COc2nn(-c3ccccc3)cc2Cl)CC1 227151844 MTMVVIDRUGTTPJ-UHFFFAOYSA-N 362.817 1.595 0 40 FDAB Cc1csc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)n1 40286961 WOEKUEJXXAWSNR-KRWDZBQOSA-N 356.407 1.999 0 40 FDAB CCO[C@@H]1C[C@](O)(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)C1(C)C 191257293 OVHSLRBRUAGXLM-CLCXKQKWSA-N 362.474 1.526 0 40 FDAB CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CC1=O 331509362 TXMPCAGKOYCSHK-IAQYHMDHSA-N 365.396 1.875 0 40 FDAB CCc1ncc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 333030090 BPXWIUHWQWZJEJ-NWDGAFQWSA-N 365.480 1.675 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 96227106 DOBIPUAXUUGTED-AEFFLSMTSA-N 360.435 1.997 0 40 FDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CCOCC3)C[C@H]21)N1CCCCO1 96083218 CHJKLQYCDDMLQC-FGTMMUONSA-N 352.475 1.694 0 40 FDAB O=C(c1cccnc1)N1CCC2(CCN(C(=O)C3CCOCC3)CC2)C1 96046589 GPMCCIPZSGDDNC-UHFFFAOYSA-N 357.454 1.963 0 40 FDAB O=C(N[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2)c1cnccn1 96051516 ZMZCXZRKMJHDDO-INIZCTEOSA-N 351.410 1.686 0 40 FDAB COCCN(C[C@H]1CC=CCC1)C(=O)C1CCC2(CC1)NC(=O)NC2=O 582700728 JJNOEMOBEXRBTP-XVTSOASTSA-N 363.458 1.586 0 40 FDAB CCc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)no1 257338347 YWYYRZDEPWYODO-JTQLQIEISA-N 352.416 1.383 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)CCCn2ccnc2)CC[C@@H]1O 257237464 HGOWNVDZONJMAR-WMZOPIPTSA-N 358.442 1.798 0 40 FDAB O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2cccnc2)C1 96104309 RQVGXRIMDCFRAQ-UHFFFAOYSA-N 356.400 1.068 0 40 FDAB O=C(NCc1cccc(N2CCOCC2)n1)c1cc(C(F)(F)F)n[nH]1 622522153 MFDYNAFJQFGBNC-UHFFFAOYSA-N 355.320 1.590 0 40 FDAB Cn1[nH]c(CN2CC[C@@H](C(=O)O)c3cc(Br)ccc32)nc1=O 635019345 VCEFNLYUMBUOMJ-SECBINFHSA-N 367.203 1.449 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cnn3c2CCCC3)C1 1775957204 IRMOSRMOIVEYTH-GOEBONIOSA-N 356.426 1.923 0 40 FDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccn3)C2=O)cc1 27062283 JJQSYJCUIFXBHM-IBGZPJMESA-N 352.394 1.473 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096096 QQQHDRYOTUMUEB-DAXOMENPSA-N 358.467 1.843 0 40 FDAB COc1cc(OC2CC2)ccc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942158 NUVQVRGREBSKDL-DOTOQJQBSA-N 359.382 1.536 0 40 FDAB CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccnn3C3CCCC3)C2)C1 685941066 PNLKHOCHFQQSKX-CQSZACIVSA-N 359.474 1.119 0 40 FDAB CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccc3nncn3c2)C1 1775957410 SUIZJIUSQCUPPS-GOEBONIOSA-N 353.382 1.433 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c(C)c1 48302613 NURLOKWHJDKCMI-UHFFFAOYSA-N 353.488 1.006 0 40 FDAB 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Cc1nonc1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 19558879 DQKMJHQCQCGTJN-UHFFFAOYSA-N 370.409 1.830 0 40 FDAB O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cnc(C(F)(F)F)nc1 623003162 JMMBZKSDBRWKFV-GFCCVEGCSA-N 371.340 1.895 0 40 FDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(N2CCOCC2)cc1 4503645 NNAQBWFZLHGSPS-GFCCVEGCSA-N 371.397 1.079 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C 8328617 BOFMXRFQFIBYIB-LBPRGKRZSA-N 352.387 1.212 0 40 FDAB Cc1nc(C2CC2)nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)c1C 1888842795 DPNBRBQFNWCKFV-UHFFFAOYSA-N 353.470 1.992 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC=CC5)C[C@@H]4C3)ncnc21 1888867107 PZPIHNPYENZZEU-GJZGRUSLSA-N 352.442 1.707 0 40 FDAB COc1ccccc1CC(=O)N1C[C@H]2CN(c3ccc(C)nn3)C[C@@H]2C1 1888873108 OOZNDMMZBMOXFD-IAGOWNOFSA-N 352.438 1.931 0 40 FDAB Cc1cc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n2nccc2n1 1888890086 NYDFGYVJIQEVNC-UHFFFAOYSA-N 361.356 1.798 0 40 FDAB CC(C)S(=O)(=O)N1CCN(C)C[C@@H](Cc2ccnc3cccnc23)C1 2037838484 IYVNONJYMHXNKO-OAHLLOKOSA-N 362.499 1.774 0 40 FDAB Cn1cc(C(=O)N2CCO[C@@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037985086 XMBNSHWTIDEKOZ-FQEVSTJZSA-N 368.437 1.848 0 40 FDAB COc1cc(C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)on1 1614935894 XKMHPCMDPODMKQ-IBGZPJMESA-N 370.409 1.733 0 40 FDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C2)C1 1565549674 YXLOYCVKSVJXFA-ZFORQUDYSA-N 371.481 1.271 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359943 GUUVMTQHBUCASD-GOEBONIOSA-N 367.405 1.931 0 40 FDAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 8863626 WCUGSBCBTVXBAI-INIZCTEOSA-N 361.467 1.792 0 40 FDAB COCCNC(=O)Cn1nc(C(C)C)c2cnn(-c3ccccc3)c2c1=O 12228938 XRPSWXAMZZTXHW-UHFFFAOYSA-N 369.425 1.468 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2sccc2C)CC1 2055747078 DDMDEVNANUOGIG-UHFFFAOYSA-N 361.471 1.623 0 40 FDAB O=C(C1CCC1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773006 JCTHPLIMHVINCT-UHFFFAOYSA-N 358.364 1.679 0 40 FDAB CCNC(=O)N1C[C@@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@@H]2C1 2086894018 NRJIYUXALWIPOD-GASCZTMLSA-N 355.446 1.377 0 40 FDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nn1 2298124444 DBIROSAPXUNPEV-UHFFFAOYSA-N 368.393 1.848 0 40 FDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 102851687 ZIKRHZCHHVPUFW-MRXNPFEDSA-N 362.389 1.687 0 40 FDAB O=C(c1ccccc1)N1CCN(CCc2nc(=O)c3ccccc3[nH]2)CC1 40154939 NXHZUVIDFIYUAD-UHFFFAOYSA-N 362.433 1.924 0 40 FDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCCc1ccccc1 40151592 FZJBYWQCYSWIKY-MRXNPFEDSA-N 353.488 1.733 0 40 FDAB NC(=O)c1ccc(NC(=O)CCCn2nnc3ccccc3c2=O)cc1 40282913 ITSTYFKFHUWBTD-UHFFFAOYSA-N 351.366 1.309 0 40 FDAB CC(=O)NCCC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51420434 HVWJTRGPBKIVJZ-UHFFFAOYSA-N 358.442 1.438 0 40 FDAB Cc1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)cc1 32682519 UQWSOTXOCMREMV-UHFFFAOYSA-N 371.441 1.067 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CCCCC2)CC1)NCc1ccccc1 21434298 SONQIEFIJVQDPW-UHFFFAOYSA-N 372.513 1.369 0 40 FDAB COc1cc(CCNC(=O)c2ccc(=O)n(C)n2)ccc1OC(F)F 32739488 OFMPPFIWEVYWSA-UHFFFAOYSA-N 353.325 1.363 0 40 FDAB CN(CCOc1ccccc1F)C(=O)CCn1nnc2ccccc2c1=O 32836917 UXZMGTCCLJMTGP-UHFFFAOYSA-N 370.384 1.858 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 32809245 CELXWUWTNBJMNH-OKILXGFUSA-N 355.460 1.092 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)CC1 21740988 WTZLCSHPMVHRQH-HNNXBMFYSA-N 374.514 1.924 0 40 FDAB NC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 24379492 JUUXXJJJFKZSQQ-UHFFFAOYSA-N 368.437 1.939 0 40 FDAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1 813862 UNPDVFSPDAVNRO-UHFFFAOYSA-N 372.874 1.987 0 40 FDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1 6115029 XGXMHKYFXDGAGN-UHFFFAOYSA-N 359.382 1.625 0 40 FDAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)N(C)C1=S 6949561 MAKWICPSBRITPT-PTNGSMBKSA-N 359.451 1.860 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CN3CCC[C@H](C)[C@H]3CO)CC2)c1 107534666 WAFQNHPRKBNSTK-AZUAARDMSA-N 359.514 1.732 0 40 FDAB COCCCC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 58133231 GESVMTJQBFJWSW-UHFFFAOYSA-N 360.501 1.624 0 40 FDAB C[C@H](OCc1ccccc1)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 58357270 DBNINVDCWHLGPD-GOEBONIOSA-N 373.405 1.877 0 40 FDAB CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(N)c2)CC1 57776539 KJFCUWXCTMJCMQ-UHFFFAOYSA-N 355.460 1.947 0 40 FDAB CCOc1cccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 56071275 LWJPWMQDMHVDLF-UHFFFAOYSA-N 369.464 1.967 0 40 FDAB O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2nccnc2c1 104756025 IPBAMIJCLZMBGW-YDOWWZDFSA-N 362.389 1.766 0 40 FDAB O=C(NCCCO)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 105357795 OMFCRMVVPPBROP-ZXFNITATSA-N 362.813 1.125 0 40 FDAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(O)c(C(=O)O)c1 2786602 BCKYLDBSEKEPIM-UHFFFAOYSA-N 371.378 1.797 0 40 FDAB COc1cccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)c1OC 2701739 QOHWNCPBAJOFFP-NTEUORMPSA-N 366.402 1.778 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 24606054 IJHSTNDGFVJXTH-VIFPVBQESA-N 369.270 1.911 0 40 FDAB CC(=O)N[C@H](C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1)C1CCCC1 12839110 ZOGVSYDPPHFYFV-KRWDZBQOSA-N 357.410 1.970 0 40 FDAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(CC)CC3)N2)cc1 19522904 UHMWGNDUWYYZCK-INIZCTEOSA-N 357.458 1.070 0 40 FDAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Br)s1 48963069 IFQJUCSLLVLXSC-UHFFFAOYSA-N 369.306 1.912 0 40 FDAB CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1 14136985 ZKEMDMQLMBAWIT-LBPRGKRZSA-N 366.215 1.567 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2cccc(OC)c2)c1=O 6679045 GHDANUPTWGWHCC-UHFFFAOYSA-N 373.434 1.570 0 40 FDAB C[C@@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C(N)=O)C1 6680170 KMVQCVOBTFLXAO-ZCFIWIBFSA-N 366.472 1.403 0 40 FDAB C[C@H](CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCN(C=O)CC1 4704271 JXXGPTQHYPXRHF-CYBMUJFWSA-N 351.834 1.995 0 40 FDAB Cn1cc(CN(CCS(=O)(=O)N2CCCC2)C(=O)C(C)(C)C)cn1 9576927 ONRGGOWGNSKCPV-UHFFFAOYSA-N 356.492 1.220 0 40 FDAB Cc1ccc(OCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 15533015 SEHUAOCRAQLMNH-UHFFFAOYSA-N 373.453 1.991 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)OC(C)(C)C)cc1 16207893 ZPPVFDPIKVKPBL-UHFFFAOYSA-N 357.428 1.500 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)Cc2c[nH]c3ccccc23)CC1 22581526 BMMOKNJJFNQOTB-CYBMUJFWSA-N 357.410 1.333 0 40 FDAB Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3cccs3)n2)cn1 17076606 WGUYNJQGOTYOJQ-UHFFFAOYSA-N 374.451 1.983 0 40 FDAB Cc1cc(C)n(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 8428280 BDPMLQDTKJDQIO-UHFFFAOYSA-N 351.428 1.640 0 40 FDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 96791843 MKCDYJQATLZLHE-HNNXBMFYSA-N 357.797 1.790 0 40 FDAB CCN1C(=O)[C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCN2C1=O 75106170 PGQQRCHRTDAYDV-INIZCTEOSA-N 354.410 1.893 0 40 FDAB CCC(CC)C(=O)NCCn1nc([C@H]2CCN(C(C)=O)C2)c2nccnc21 72391645 KUDKDTSQTJQSHQ-HNNXBMFYSA-N 372.473 1.715 0 40 FDAB Cc1cc(N2C[C@H](C(=O)N(C)CCN3CCCC3=O)CC2=O)ccc1F 540952284 CYWOVAMMGJCLGO-CQSZACIVSA-N 361.417 1.568 0 40 FDAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1SCC(=O)N1CCO 71195300 CAOCSQMQXXPBQW-INIZCTEOSA-N 361.423 1.615 0 40 FDAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1 214273349 DLSBZRBCHXWQIC-GXDHUFHOSA-N 362.407 1.590 0 40 FDAB C[C@@H](C(=O)NC1CCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326792 GVADOCYUNBUVED-RNODOKPDSA-N 370.453 1.608 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326758 VILCDBJYKIWEBU-HXPMCKFVSA-N 356.426 1.218 0 40 FDAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 44885439 FDXCFVNTZKBQMO-AWEZNQCLSA-N 353.444 1.346 0 40 FDAB O=C(COc1cccc2nsnc12)NCCn1c(=O)oc2ccccc21 72343089 HWCDDUBXUYHVPD-UHFFFAOYSA-N 370.390 1.794 0 40 FDAB COc1ccc(C(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)cc1 225506339 LZHAJMDRNNFPSH-OPNNQBFTSA-N 372.421 1.318 0 40 FDAB biogenic,in-vitro CSc1ncc(C(N)=O)c(N(C)S(=O)(=O)c2ccc(C)cc2)n1 223399975 KWEUYQJCYSMPNX-UHFFFAOYSA-N 352.441 1.431 0 40 FDAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCCO)cc1 222987942 CXHOYOTYSYKEIA-INIZCTEOSA-N 370.449 1.764 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 145580624 ZEILULIBKPSTCY-DSIZOQBWSA-N 368.389 1.284 0 40 FDAB O=C(NCCO)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037949 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BEEQYRVVRIHOTG-MRXNPFEDSA-N 351.414 1.753 0 40 FDAB NC(=O)C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1ccc(F)cc1 257323478 WKJGARWUEBUEKV-BBRMVZONSA-N 360.389 1.194 0 40 FDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257273238 NFUOMFGATSDDBZ-INIZCTEOSA-N 364.475 1.519 0 40 FDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1cc(C(C)(C)C)n[nH]1 257252886 JWNPUDJABSWKBX-GOSISDBHSA-N 358.446 1.211 0 40 FDAB Cc1cc(N2CCC[C@@H]2c2ccnc3c(C(=O)N(C)C)cnn23)ncn1 257264993 LWVYJCQQULHZGC-CQSZACIVSA-N 351.414 1.871 0 40 FDAB COCc1cccc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)c1 257330994 XQXQWRFWCDXGBG-QGZVFWFLSA-N 357.410 1.802 0 40 FDAB CC[C@@H](C(=O)O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 263575793 POQCRRWPQHIIQX-HNNXBMFYSA-N 356.444 1.255 0 40 FDAB NC(=O)C[C@]1(O)CCCN(Cc2ccccc2OCc2cccnc2)C1 643745725 QOUMIRSHHNDDMV-HXUWFJFHSA-N 355.438 1.863 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)COc2cccc3ccccc23)C1 644030374 FLYHCIRTFSUTMZ-FQEVSTJZSA-N 356.422 1.708 0 40 FDAB COc1cc(C)[nH]c(=NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 645268299 MPMSLNYCJKZTHV-KSSFIOAISA-N 353.426 1.775 0 40 FDAB O=C(NC[C@@H]1CCCCCN1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 1262579473 QULGGZAMTCHACS-MSOLQXFVSA-N 358.486 1.867 0 40 FDAB O=C(CCCc1nc(C2CC2)no1)N1CCN(C(=O)N2CCCC2)CC1 606830950 RMLQBDSVWWVMMZ-UHFFFAOYSA-N 361.446 1.630 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)cc1 1639643678 FVPHLSUOEVVGGW-GFCCVEGCSA-N 354.366 1.642 0 40 FDAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105260 UERHOYVDPBRCQI-AWEZNQCLSA-N 364.413 1.616 0 40 FDAB COCCN1C[C@]2(COCCN(Cc3cc(F)ccc3F)C2)CC1=O 585105005 XQZXLDRHNWQDEX-SFHVURJKSA-N 354.397 1.662 0 40 FDAB COCCOc1ccc(C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 585287920 HYTMJKSQRFTBCQ-ZACQAIPSSA-N 353.415 1.213 0 40 FDAB Cn1cnc2c1C[C@@H](COCc1ccncc1)N(C(=O)c1cocn1)C2 585094903 SZWYEUQUKUCBQX-AWEZNQCLSA-N 353.382 1.587 0 40 FDAB Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cnccn2)on1 585097410 LKIQZJIFVCRBSU-AWEZNQCLSA-N 354.370 1.463 0 40 FDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)NC1CC1 1775964265 ZHPSYCWPIQYLNL-AWEZNQCLSA-N 355.398 1.895 0 40 FDAB biogenic,in-vitro C[C@H](C(N)=O)N1CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)CC1 76093204 JXWULGMHCAMUEI-LLVKDONJSA-N 374.514 1.144 0 40 FDAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)Nc2cc(C)on2)n1 5254649 YRUQTSSSQMJHGQ-UHFFFAOYSA-N 356.386 1.598 0 40 FDAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc(C(F)(F)F)c1 13636878 MNGNIHLMTZCEOY-ZJUUUORDSA-N 362.329 1.719 0 40 FDAB O=C1NCC2(CCC(C(=O)N3CCC(O)CC3)CC2)Oc2ccccc21 19374727 UIRBGUNQUIPYSS-UHFFFAOYSA-N 358.438 1.721 0 40 FDAB COc1ccc(OC)c([C@@H](O)CN2CCN(Cc3ccccn3)CC2)c1 19551170 SRKNMUHVLZLKCP-IBGZPJMESA-N 357.454 1.950 0 40 FDAB COc1ccc(CC(=O)N2CC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 19758165 OBXMHKXGKLRKLN-CQSZACIVSA-N 354.410 1.451 0 40 FDAB COC(=O)[C@H]1CCc2nnc(-c3sc(N4CCOCC4)nc3C)n2C1 601044218 JXXBDXGENOWPTE-NSHDSACASA-N 363.443 1.282 0 40 FDAB C[C@@H]1CCCCN1C(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 8072725 MDDDYYLAVVHHAW-GHMZBOCLSA-N 359.473 1.465 0 40 FDAB Cc1nc(N2CCN(C(=O)COCc3ccccc3)CC2)nc(O)c1F 1888860221 YGRZIECKXBZHPD-UHFFFAOYSA-N 360.389 1.495 0 40 FDAB O=C1NC(=O)[C@@]2(CCN(c3nc4ccc(Br)cc4s3)C2)N1 1888868593 LLWRNWOOFGAPPS-ZDUSSCGKSA-N 367.228 1.847 0 40 FDAB Cc1nc(N2CCN(c3ncnc4c3CCC4)CC2)cc(-n2cccn2)n1 1889149369 XIWDXODDMBCVOM-UHFFFAOYSA-N 362.441 1.576 0 40 FDAB O=C(c1ccnnc1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037846831 ZCAWVSFHVVQFJX-HXUWFJFHSA-N 366.421 1.905 0 40 FDAB Cn1nnc2c1CCN(C(=O)CCc1cncnc1)[C@@H]2COCC1CC1 1614933135 ODWUTFCKPRKVSG-MRXNPFEDSA-N 356.430 1.090 0 40 FDAB CC[C@H](C(=O)OC)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 4251619 STVGGVSUSJNMBO-GFCCVEGCSA-N 361.789 1.814 0 40 FDAB O=C(NCc1cccs1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234312 MUIWURGJLWOPAY-UHFFFAOYSA-N 371.397 1.921 0 40 FDAB CCCC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O 12419614 XJZNEFMSMRZHMF-CQSZACIVSA-N 354.428 1.735 0 40 FDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)CCOc2ccccc2)C1 2055772733 VPUZNDHNSFGBRI-IBGZPJMESA-N 356.426 1.416 0 40 FDAB CC(C)C[C@H](N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 19446764 FGWFWZDGEYZKJS-KRWDZBQOSA-N 371.485 1.471 0 40 FDAB NC(=O)COc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 26001919 VGBMOZFLOFEWSZ-UHFFFAOYSA-N 357.391 1.847 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2ncccn2)CC1 30982392 HKEAMCUUOVGTQY-CQSZACIVSA-N 355.398 1.148 0 40 FDAB CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCN(c2cccc(C)c2)CC1 40082454 YDQHAKBVUFZHDX-FQEVSTJZSA-N 372.513 1.634 0 40 FDAB COC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 30694505 CGYLFUDMBFXZPG-HNNXBMFYSA-N 354.406 1.981 0 40 FDAB O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cn1cncn1 31116811 ZYQBEKZKUXPFEW-UHFFFAOYSA-N 355.442 1.639 0 40 FDAB C[S@](=O)c1ccc(C(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)cc1 50536658 WPIAMWMKTKSKTG-PVPMGCCUSA-N 373.430 1.701 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccnc1-n1cncn1 31354524 CYFUIIKVSOZTGJ-UHFFFAOYSA-N 351.366 1.406 0 40 FDAB COC(=O)c1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc(=O)[nH]c1C 31618132 LBTNYQWDORZWCE-KOLCDFICSA-N 353.444 1.652 0 40 FDAB C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)c1ccc(F)cc1 101686673 SWYBJHREQMGXTH-CFXSOUKZSA-N 371.364 1.747 0 40 FDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1F 21005381 WDHRVDGFRGQEAS-UHFFFAOYSA-N 355.413 1.900 0 40 FDAB O=C(CSc1ncccn1)NCc1ccccc1CN1CCOCC1 32745089 GEWLPQRYQLOPGV-UHFFFAOYSA-N 358.467 1.717 0 40 FDAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716738 SCCMJYHISLSFQK-QAPCUYQASA-N 359.470 1.960 0 40 FDAB Cc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)s1 21838554 VPYAHVXSGFWDLO-UHFFFAOYSA-N 352.803 1.340 0 40 FDAB c1ccc(-n2nc(-c3n[nH]c(-c4cccnc4)n3)c(N3CCOCC3)n2)cc1 33435936 PDLNGIKNAXFQFJ-UHFFFAOYSA-N 374.408 1.951 0 40 FDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCO1 22620652 WQPAIJONALGJRS-DOMZBBRYSA-N 365.455 1.045 0 40 FDAB O=C(CCNC(=O)c1ccccc1Cl)NCCCN1CCCC1=O 22626701 VYSBOKPWYFVUNF-UHFFFAOYSA-N 351.834 1.589 0 40 FDAB CC(=O)[C@H]1C(=O)NC(Nc2nc3ccccc3s2)=NC(=O)[C@H]1C(C)=O 912720 UKVWGEBKUURLMY-TXEJJXNPSA-N 358.379 1.131 0 40 FDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7686107 VZVJZPNPRMJLPE-AWEZNQCLSA-N 372.443 1.520 0 40 FDAB CNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457349 AQEBNBUITHKFDP-GFCCVEGCSA-N 373.240 1.852 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1OC 8476031 RWSGLXLYGUCUNS-UHFFFAOYSA-N 350.396 1.864 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)C 57985201 WSCQDUGUEMVHBT-HNNXBMFYSA-N 356.444 1.239 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCc1nc(-c2cccs2)no1 58203273 PVLJIKWEQKDFJB-UHFFFAOYSA-N 367.390 1.824 0 40 FDAB COc1ccc(CCN2CCN(C(=O)NCc3cnn(C)c3)CC2)cc1 58210434 HZLBGPZDNRGVOH-UHFFFAOYSA-N 357.458 1.499 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4[C@H]3[C@@H]2[C@@H]2[C@H]1C42c1ccccc1 104284691 OJBCEBJEDIRAOB-MZBPENPUSA-N 355.397 1.970 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1OC 28325849 WUEGHTBSWGTUPL-CYBMUJFWSA-N 354.428 1.136 0 40 FDAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029251 ISRGDQHORQSNIX-HNNXBMFYSA-N 371.480 1.320 0 40 FDAB COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 12769164 RUBZNNUZHBGUNT-UHFFFAOYSA-N 354.362 1.860 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(COc2ccccc2Cl)n1 27972471 LZYZLGCZROGNGG-NSHDSACASA-N 369.830 1.490 0 40 FDAB COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1I 409192906 GXPUFQWHLKMPGC-RMKNXTFCSA-N 358.135 1.822 0 40 FDAB CSc1nc(C)c(CCC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)[nH]1 96286614 RZMJGPONJSWDRL-ZDUSSCGKSA-N 359.451 1.853 0 40 FDAB CN1CCN(c2ccc(NC(=O)CNC(=O)C3CCCCC3)cn2)CC1 14114209 HWUJHTSOYPICRE-UHFFFAOYSA-N 359.474 1.468 0 40 FDAB CC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 14160839 SPUMCLGUYVXUIJ-UHFFFAOYSA-N 374.466 1.097 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)s1 6605416 YXKCWXIIMAJCHQ-ABKXIKBNSA-N 365.459 1.922 0 40 FDAB CN(C)CCCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCCC3 6758619 YTUQVCFQPKGPPI-UHFFFAOYSA-N 365.455 1.140 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1ccc(Cl)cc1 23078921 SRUPZDDKQZMGNE-SNVBAGLBSA-N 367.789 1.542 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2CCOc2ccccc2Cl)n(C)c1=O 7416468 GPBGLSSDQSKFEF-UHFFFAOYSA-N 369.208 1.820 0 40 FDAB COC(=O)c1cccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)c1 9690519 STGMMQGZZOWSIO-CQSZACIVSA-N 372.352 1.762 0 40 FDAB Cc1ccc2nc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)[nH]c2c1 8346139 GTTIPWPTOUNBAB-UHFFFAOYSA-N 371.422 1.613 0 40 FDAB O=C(CN1C(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc21)Nc1ccccc1 8764533 YARMBQIVPOIRGP-YOEHRIQHSA-N 365.389 1.247 0 40 FDAB biogenic O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCCCc1ccccc1 8856580 UEPGPJFMLMWNQP-UHFFFAOYSA-N 366.421 1.904 0 40 FDAB O=C(O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9912041 GIQKKDJVSKIGGM-UHFFFAOYSA-N 360.819 1.329 0 40 FDAB Cn1ccnc1N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 75053150 ZQNHUIKDPKZGQW-UHFFFAOYSA-N 356.398 1.743 0 40 FDAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 408535182 VEMMZVAAACWBIY-UHFFFAOYSA-N 372.487 1.603 0 40 FDAB Cc1nccc(N2CCN(CC(=O)Nc3nnc(-c4ccco4)o3)CC2)n1 558504606 VHUJJFXGIPGZGP-UHFFFAOYSA-N 369.385 1.189 0 40 FDAB CS(=O)(=O)c1nc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)n[nH]1 530262533 SPTCBRYZULFDIT-SECBINFHSA-N 358.326 1.247 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-n2ccnc2)nn1 522591718 XXRWMEIPISJHKV-NSHDSACASA-N 354.336 1.276 0 40 FDAB O=C(Cc1noc(C(=O)NCc2cccc(F)c2)n1)NCc1ccccc1 36366187 GIJILLKCGHANCA-UHFFFAOYSA-N 368.368 1.998 0 40 FDAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1nnnn1Cc1ccccc1 35314274 NTPZBJMHZULBSP-AYHJJNSGSA-N 354.458 1.743 0 40 FDAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1cnc2sccn2c1=O 32609597 DQUZDHHOVLYNGU-UHFFFAOYSA-N 374.426 1.365 0 40 FDAB Cn1c(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 74052686 KFFNPTHWWJNSNX-UHFFFAOYSA-N 350.378 1.877 0 40 FDAB CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC[C@@H](C)C2)n1 225878732 IFCSQRNBFMJCKR-GFCCVEGCSA-N 350.492 1.466 0 40 FDAB CC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 45947486 BGFHQFRZPMTRKI-KRWDZBQOSA-N 350.378 1.948 0 40 FDAB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1 225613110 PYACXTDXMNVREC-UHFFFAOYSA-N 373.434 1.434 0 40 FDAB COc1ccccc1-n1nc(CC(N)=O)nc1C1(Cn2ccnc2)CC1 96132297 LUXPXQHZLYYVAP-UHFFFAOYSA-N 352.398 1.232 0 40 FDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(c1cccnc1)C2 96230556 ZKPWPVLFQRQHTI-HXUWFJFHSA-N 368.485 1.769 0 40 FDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106709 LBBFMKIHOIYYDA-OAHLLOKOSA-N 359.488 1.545 0 40 FDAB CC(C)n1cnc(-c2nc(C(=O)NCC(=O)N(C)C)c3ccccn23)c1 96266852 CHMNCWGAOTUNBA-UHFFFAOYSA-N 354.414 1.597 0 40 FDAB CCCCNC(=O)c1ncn2c1CN(CC)S(=O)(=O)c1ccccc1-2 96266134 BOZVVBNRDSTING-UHFFFAOYSA-N 362.455 1.926 0 40 FDAB CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)CC1 257305739 SRHJFOBHVQZAFC-KZNAEPCWSA-N 351.491 1.081 0 40 FDAB CN(C)C(=O)c1sc2nc(C3(C)CCN(CCO)CC3)ccc2c1N 257281067 ONLYVHRPDMIWGK-UHFFFAOYSA-N 362.499 1.926 0 40 FDAB Cc1ncsc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257214021 CKEVMLHLCHAEDI-CYBMUJFWSA-N 357.439 1.826 0 40 FDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2NC1=O 257173509 PGSZLSQPQDXONP-MRXNPFEDSA-N 367.471 1.512 0 40 FDAB O=S(=O)(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257272522 NCSGMKLCQMUZEH-IAGOWNOFSA-N 351.399 1.780 0 40 FDAB C[C@H](C(=O)N1Cc2ccc(O)cc2C2(CC2)C1)n1cnc2c(N)ncnc21 1118708141 QIUKSCYUFVBSST-LLVKDONJSA-N 364.409 1.749 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)Nc2cnc(CC3CC3)nc2)C1 644434523 JQTJOPUMYCNSTH-SFHVURJKSA-N 361.446 1.266 0 40 FDAB CN1C[C@@H](C(=O)N2CCN(c3cncc(F)c3)CC2)c2ccccc2C1=O 655033502 AIJVJIJYNFAQBX-GOSISDBHSA-N 368.412 1.739 0 40 FDAB CN(C)[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 599310450 ZQRHJZAKWUJDEJ-CABCVRRESA-N 373.906 1.483 0 40 FDAB Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](N)[C@H](c2nccn2C)C1 1615588965 DRUCNPHQNJSFAT-HZPDHXFCSA-N 365.437 1.879 0 40 FDAB Cc1nnc2c(N3CC[C@H](NC(=O)COCc4ccccc4)C3)nccn12 390830877 OBCFFXNTJZLGTG-INIZCTEOSA-N 366.425 1.344 0 40 FDAB CO[C@@H]1COC[C@@H](N(C)S(=O)(=O)c2cccc3ccccc23)[C@@H]1O 585291152 LJPXUQCQCYTKAZ-INMHGKMJSA-N 351.424 1.235 0 40 FDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21 585112199 MVTCIYQTAXCNGJ-SFHVURJKSA-N 362.499 1.996 0 40 FDAB Cc1ccc(S(=O)(=O)N2CC3(C[C@H](CO)CN3CC3CC3)C2)cc1 585093946 RRDHLQFBPULIMG-INIZCTEOSA-N 350.484 1.462 0 40 FDAB O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cccn2)[C@H]1O 952845035 ZNWZDZXNXIQXDO-ARILJUKYSA-N 366.324 1.009 0 40 FDAB biogenic,in-vitro CN(C)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)Cc1ccccc1 56202859 LHZAXKVPDSSZPS-IBGZPJMESA-N 367.497 1.982 0 40 FDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cc(C2CC2)ncn1 585361197 XSCOXUXHQONANZ-CYBMUJFWSA-N 357.439 1.572 0 40 FDAB CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 1615104968 JDHYRBYKRIBOSQ-PMACEKPBSA-N 362.470 1.182 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)cc1 5746406 QIYSQHHGINKZSY-UHFFFAOYSA-N 354.453 1.252 0 40 FDAB Cc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 5918250 BRLKOKAJWANGEF-UHFFFAOYSA-N 363.439 1.354 0 40 FDAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)NC1CCCC1 12182445 SJYJEMRVVWEQMS-UHFFFAOYSA-N 351.410 1.980 0 40 FDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C(C)C 12238886 ZBJUNJHOUVOORR-ZDUSSCGKSA-N 367.471 1.938 0 40 FDAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(Cl)c1 17946076 QDFWVELYWATMKB-AWEZNQCLSA-N 350.802 1.811 0 40 FDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)Cc3cccc(C)c3)C[C@H]1C2 19234816 XZFANUGAMWDSEJ-MJGOQNOKSA-N 366.465 1.668 0 40 FDAB O[C@@H](CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 19345605 IQDBEVPYJIKEID-INIZCTEOSA-N 356.426 1.494 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2C 19707027 GNFKWWNVBFNZCY-AWEZNQCLSA-N 354.458 1.921 0 40 FDAB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 205748054 JXYISSODTJGNFI-KPKJPENVSA-N 367.379 1.922 0 40 FDAB Brc1cnc(OC2CCN(CCn3nccn3)CC2)nc1 1888843735 ZPHQNZOKUTURLU-UHFFFAOYSA-N 353.224 1.374 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5ncc(C)cn5)C[C@H]4C3)ncnc21 1888897112 DJGSRLCMTJSOPC-OKILXGFUSA-N 350.430 1.517 0 40 FDAB Cc1oncc1C(=O)N1CCC(Oc2ncc(-c3cnn(C)c3)cn2)CC1 1889212089 XLUOETGFRUCJKG-UHFFFAOYSA-N 368.397 1.857 0 40 FDAB O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CSCc2ccccc21 2087143968 MCTYIGKSANDFSC-QGZVFWFLSA-N 362.476 1.615 0 40 FDAB Cc1ccc(CNC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)cc1 4250423 GNUUDMMLILXXPX-UHFFFAOYSA-N 357.439 1.751 0 40 FDAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1Cl 4940547 JOJPERBNSNKRLA-UHFFFAOYSA-N 361.789 1.186 0 40 FDAB Cc1cncc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055732370 FLLGPVVGACRFOL-HNNXBMFYSA-N 356.426 1.498 0 40 FDAB O=C(Cc1ccsc1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055729931 FJWQGAPEFBNQDI-UONOGXRCSA-N 361.467 1.519 0 40 FDAB CSc1nc(C)cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086887012 OZGGIWJKPYFVDV-LBPRGKRZSA-N 356.517 1.900 0 40 FDAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1cccnc1)c1ccccc1 217981090 OUYNXMDJOXZAMF-CQSZACIVSA-N 361.379 1.080 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Oc4cnccn4)C3)nc2n1 225474614 RREVKMYGNMXQIQ-CYBMUJFWSA-N 353.386 1.215 0 40 FDAB COc1cccc(OC)c1C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979918 TXSUHNGSCCTKKL-UHFFFAOYSA-N 356.444 1.105 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C1CC1 40106215 HFGNMBLILDXKBI-NQBHXWOUSA-N 355.464 1.006 0 40 FDAB O=C(CCNC(=O)c1ccccc1)NCCN1CCc2ccccc2C1 31337284 BCOHGQDXDWMNGB-UHFFFAOYSA-N 351.450 1.981 0 40 FDAB Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100560996 KFSGQTBZORVWCO-KODHJQJWSA-N 367.401 1.836 0 40 FDAB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 20411641 RZJXEISZQFKAGA-ASBONYKVSA-N 362.514 1.909 0 40 FDAB biogenic COc1ccc(C(C)=O)cc1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 32674801 LEYLWTHVOJWIOX-SFHVURJKSA-N 368.389 1.720 0 40 FDAB COc1ccc(OC)c(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816569 WVFQQKIEMGKCTH-LLVKDONJSA-N 360.332 1.731 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1Cn1ccnc1 32860024 WSIDEKCSYKSWCE-UHFFFAOYSA-N 373.416 1.958 0 40 FDAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1csc(S(N)(=O)=O)c1)C(C)C 21839548 WIFSICYQDLVPBZ-SNVBAGLBSA-N 362.473 1.586 0 40 FDAB Cc1nnc(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1C 53160876 NGGRMVUQAKIUFS-UHFFFAOYSA-N 352.442 1.492 0 40 FDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 22136603 DSMWBSOUFRYCCY-HOTGVXAUSA-N 364.534 1.499 0 40 FDAB O=C(NC[C@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 54618786 XKXVSEVDWXBPQZ-RISCZKNCSA-N 372.343 1.590 0 40 FDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@H]2COCCO2)cc1 54614813 HTFZLYWPEKWMTP-HNNXBMFYSA-N 350.415 1.857 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1CCCN2CCCC[C@H]12 79189530 QSHDOFBECMHGOI-KBXCAEBGSA-N 354.454 1.846 0 40 FDAB biogenic CC1(C)O[C@H]2O[C@@H]([C@@H]3COC(=O)O3)[C@@H](OC(=O)c3ccccc3)[C@H]2O1 4783394 PNZYAHZGYPKPDY-RLPMIEJPSA-N 350.323 1.624 0 40 FDAB CCOC(=O)c1cnc(SCc2nc3ccccc3c(=O)[nH]2)nc1N 7496301 MZLMSDRDLPELOP-UHFFFAOYSA-N 357.395 1.764 0 40 FDAB CCS[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O 43808028 HWVFWNMATMHVMS-FHULIHMCSA-N 353.440 1.444 0 40 FDAB CCNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 8314156 KHKSIOWOUFCAHZ-CYBMUJFWSA-N 367.471 1.206 0 40 FDAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nn1C 8635400 MNYPCSKMHNXYET-ZNMIVQPWSA-N 358.442 1.621 0 40 FDAB biogenic,in-vitro C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(NC(=O)c2ccccc2)CC1 57395933 RZTKNIAVQBPROC-CYBMUJFWSA-N 369.473 1.475 0 40 FDAB CCCc1nc(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)no1 58201633 HEPUAXRHQIUIKG-GOSISDBHSA-N 372.381 1.804 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(N2CCOCC2)cn1 12523154 NJAPXZSKFHONLA-UHFFFAOYSA-N 365.393 1.336 0 40 FDAB O=C1Oc2cc(O)ccc2[C@@H]2c3sc(O)nc3S[C@@H](C(=O)O)[C@H]12 2463721 XLLALKBLIJIEGD-QXFUBDJGSA-N 351.361 1.780 0 40 FDAB Cc1ccc(OCCC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 59850700 MQXMJZQGPLFFJS-UHFFFAOYSA-N 356.429 1.626 0 40 FDAB COC(=O)C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1 55291659 SKHARGCSWPABPQ-FMKPAKJESA-N 370.471 1.543 0 40 FDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420128 DKSOAYFCYKQHCY-LKQDWFRTSA-N 350.802 1.537 0 40 FDAB C[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(I)c1 97022302 NCCWXTQZBDOTEN-ZETCQYMHSA-N 369.180 1.433 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 53316160 MMZUPOCSHHLOTE-UHFFFAOYSA-N 374.846 1.219 0 40 FDAB COc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC(C)(C)C 3316510 OLHNVLQCNGLLHV-UHFFFAOYSA-N 352.387 1.632 0 40 FDAB COc1ccc(C(=O)NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 3322826 VVMPWEZPIANXGR-UHFFFAOYSA-N 371.422 1.798 0 40 FDAB Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCNC(=O)C3)cs2)c1 12899847 FPZRAPJLPXCVOZ-UHFFFAOYSA-N 358.467 1.873 0 40 FDAB NC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)NC2(CCCCC2)C1=O 12936534 ZMUHIMOHOLMNHT-HNNXBMFYSA-N 356.426 1.111 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccccn1 9061191 RXYZTXJCSIWGSS-INIZCTEOSA-N 352.394 1.599 0 40 FDAB Cc1cccc(OCC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 39558742 CPMJTFLKGZSXAA-UHFFFAOYSA-N 354.366 1.298 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc(CO)cc1 5183380 SVHDQLAOTGCIKH-UHFFFAOYSA-N 374.368 1.572 0 40 FDAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 39984290 FTALHGRLCWPUPG-OAHLLOKOSA-N 351.453 1.821 0 40 FDAB Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CCS(=O)(=O)C2)no1 39998374 LSBMUCQGZYINQU-LLVKDONJSA-N 367.452 1.587 0 40 FDAB COc1ccc(CCNC(=O)COn2nnc3ccccc32)cc1OC 6939910 PVBTXOLURFQQCH-UHFFFAOYSA-N 356.382 1.236 0 40 FDAB CN(C)CCNC(=O)c1ccc(CN[C@H]2CCCc3c2cnn3C)cc1 90038553 GVUMPPZSIDMAOK-SFHVURJKSA-N 355.486 1.879 0 40 FDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1 7491113 XFPNWTFOWINPTD-AWEZNQCLSA-N 364.471 1.220 0 40 FDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)s1 7688309 NKBUAHSMRMRHMQ-SSDOTTSWSA-N 355.279 1.704 0 40 FDAB C[C@H]1Cc2cc(C3=NN=C(NC4CC4)SC3)ccc2N1S(C)(=O)=O 8156758 ATPNLQISVUCRJX-JTQLQIEISA-N 364.496 1.956 0 40 FDAB O=C(NCCc1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 17118107 NOCFNBZTHUAOKA-UHFFFAOYSA-N 369.425 1.322 0 40 FDAB Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20768553 YBUNPULMEYAEBA-UHFFFAOYSA-N 368.480 1.724 0 40 FDAB COC(=O)CCSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 8778275 PVSHFDOCNIKKGI-UHFFFAOYSA-N 366.443 1.110 0 40 FDAB O=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@H]1C[C@@H]1c1ccccc1F 84502261 WHUQBONTPZWGHJ-CABCVRRESA-N 363.385 1.838 0 40 FDAB CN(C)CCOc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccn1 95447608 IAQIEWCSIRWSDC-UHFFFAOYSA-N 366.462 1.553 0 40 FDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)C4CCCC4)CC3)C2=O)cn1 95961311 VJXZGJFFYPYZMA-KRWDZBQOSA-N 359.474 1.250 0 40 FDAB C[C@@H]1CCCN(CCCNC(=O)[C@@H](C)N(C)c2nccn3cnnc23)C1 89929794 LYXKPEYCWSHLCJ-HUUCEWRRSA-N 359.478 1.187 0 40 FDAB CCc1ccccc1NC(=O)CNC(=O)CN1CCC[C@@H](N2CCCC2)C1 76681385 JXNNFXVHWUMDBM-GOSISDBHSA-N 372.513 1.864 0 40 FDAB CN(C)C(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306127897 GKHKUUDFLOAEPT-OLZOCXBDSA-N 354.414 1.316 0 40 FDAB Cc1cnc(N)c(S(=O)(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 511176162 PJTBCWYBKITISD-SFHVURJKSA-N 361.467 1.687 0 40 FDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 32502298 YQTVTORWNNCCLZ-UHFFFAOYSA-N 361.379 1.407 0 40 FDAB O=C(Nc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 32716509 XFUPQAVPWKRYNW-UHFFFAOYSA-N 365.386 1.494 0 40 FDAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)[nH]1 32553897 HTLRODMBXAELNZ-UHFFFAOYSA-N 369.708 1.536 0 40 FDAB COC(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(C)C 32646601 OQOSATOBJCBPKL-OAHLLOKOSA-N 360.410 1.866 0 40 FDAB COC(=O)c1ccc(CN2CCNCC2)c(I)c1 39951852 FDOQXLPZOUOLLE-UHFFFAOYSA-N 360.195 1.483 0 40 FDAB O=C(Cn1nc(C(F)(F)F)c2cccn2c1=O)NCc1ccc(F)cc1 72346580 OPVZZJIDYSKIQC-UHFFFAOYSA-N 368.290 1.970 0 40 FDAB COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)CC1 79495220 ODYIFIJBBTZPTE-OAHLLOKOSA-N 373.409 1.578 0 40 FDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(OC)c1 71980345 KFLVOEALOYODKG-INIZCTEOSA-N 362.426 1.823 0 40 FDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1COC 225400997 ZXVJMILATZYNIM-FGTMMUONSA-N 359.470 1.576 0 40 FDAB biogenic,in-vitro COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 225134816 VFLOIUQGGIDRBO-UHFFFAOYSA-N 369.420 1.888 0 40 FDAB COc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 225801524 VBEPLORKSCVOML-QMMMGPOBSA-N 356.429 1.545 0 40 FDAB COc1ccc(Br)c(C=O)c1OCC(=O)N1CCOCC1 95095114 APRZXZYLPDJMFU-UHFFFAOYSA-N 358.188 1.508 0 40 FDAB Cc1csc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)n1 96105215 BBENODSIBTYEDM-UHFFFAOYSA-N 370.442 1.677 0 40 FDAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3cc(C)on3)C2)C1 96228497 AHEOFIPOVAIDGA-CRAIPNDOSA-N 351.447 1.573 0 40 FDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106129 JSXKCWXGSFXFBP-INIZCTEOSA-N 356.426 1.905 0 40 FDAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1 245237730 SYDYZOZTSPDJFO-SQWLQELKSA-N 365.455 1.341 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245229869 HSGRKWCSKYMMPD-ZFCANOHDSA-N 374.437 1.673 0 40 FDAB CCO[C@@H]1C[C@@](O)(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)C1(C)C 248957334 OVHSLRBRUAGXLM-QMTMVMCOSA-N 362.474 1.526 0 40 FDAB CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1 257301934 SAQNSDYDNDDTCH-GOSISDBHSA-N 359.430 1.405 0 40 FDAB O=C(CN1CCCC1)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257302092 SBMKMFFAXFNBAQ-LJQANCHMSA-N 358.486 1.673 0 40 FDAB CC(=O)Nc1ccc(CN2CCC3(CC2)Cc2c(N)nc(N)nc2O3)cc1 257314681 UYAPWGAMWWRABK-UHFFFAOYSA-N 368.441 1.569 0 40 FDAB CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257273550 NHCICRFMNDQEKT-OWCLPIDISA-N 354.458 1.609 0 40 FDAB Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257288664 PVCNGIZTTHGNHS-GFCCVEGCSA-N 361.423 1.899 0 40 FDAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)c1 257277904 NZZBVEWYUCLQTL-GFCCVEGCSA-N 351.432 1.072 0 40 FDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257317681 VKTONMZMYLVFHW-QGZVFWFLSA-N 357.458 1.594 0 40 FDAB Cc1cc(=NCCNC(=O)c2ncc3c(F)cccn23)[nH]c(C(C)C)n1 628825230 ICZDABURKTZALG-UHFFFAOYSA-N 356.405 1.959 0 40 FDAB CO[C@@H]1CN(C(=O)C(C)(C)c2ccc3c(c2)OCO3)C[C@H]1c1cnn[nH]1 622165472 DWPNUEOVSHJGJI-BLLLJJGKSA-N 358.398 1.452 0 40 FDAB CO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C12CCC2 655316369 LXTLESLODDAZTL-HOTGVXAUSA-N 364.467 1.696 0 40 FDAB Cc1nc(N2CCO[C@H](Cc3ccccc3)C2)sc1S(N)(=O)=O 669967789 UYHZETVBAXEIIL-CYBMUJFWSA-N 353.469 1.547 0 40 FDAB O=S(=O)(c1ccccc1Br)N1CC(Cn2ccnn2)C1 1775965734 CZHNZUTWMFYHLK-UHFFFAOYSA-N 357.233 1.361 0 40 FDAB Brc1cnc(OC[C@H]2CCCN(CCn3ccnn3)C2)nc1 1775996026 RMCVWKSBKLJLIK-LBPRGKRZSA-N 367.251 1.622 0 40 FDAB COCC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1c1nccn1C 1615553961 VGLDTMJOIVZDKW-GDBMZVCRSA-N 364.396 1.429 0 40 FDAB Cn1nnc2cc(C(=O)N3CCCNC(=O)[C@H]3Cc3ccccc3)ccc21 294038573 FEBBXRLNASDPKH-GOSISDBHSA-N 363.421 1.542 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095198 JZOFPOUAXJPILX-COXVUDFISA-N 360.458 1.355 0 40 FDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@H](Oc2ccncc2F)C1 1776008453 GBMUUGZLABMSOM-ZDUSSCGKSA-N 358.373 1.335 0 40 FDAB Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)c1 75105664 CCOKEEDCQJRVKP-CQSZACIVSA-N 364.409 1.829 0 40 FDAB O=C(Cn1ccc(=O)c2ccccc21)NCCS(=O)(=O)c1ccccc1 89847694 AFVCYNQZXOEPPO-UHFFFAOYSA-N 370.430 1.592 0 40 FDAB CCCn1ncc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)c1C1CC1 92771630 BGMMEQQFUNRQOF-ZDUSSCGKSA-N 354.476 1.324 0 40 FDAB Cc1ccc([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)N2CCOCC2)o1 42656919 JZGZXOBZHAQTAY-MRXNPFEDSA-N 355.394 1.665 0 40 FDAB COC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2OC)OCO3)C1=O 1147412 DWFWMYPLTQRBIO-QCDXTXTGSA-N 351.336 1.633 0 40 FDAB O=C(N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)C1(c2ccccc2)CC1 12113748 KZDKDXUYONTMEE-UHFFFAOYSA-N 364.449 1.987 0 40 FDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc12 12145079 JPKHVWPDHSVFAD-OKILXGFUSA-N 355.442 1.975 0 40 FDAB CC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 14398914 CVLATXYWZAFIGY-GFCCVEGCSA-N 356.444 1.529 0 40 FDAB Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(=O)n1 19572525 TZGNKMDYNNYVFZ-LBPRGKRZSA-N 356.382 1.608 0 40 FDAB COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2C)C1 19767297 GULVRQHKOJXKSW-ZDUSSCGKSA-N 371.441 1.718 0 40 FDAB CCOC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)CC1 19937278 TXOJLZFKWQAHBZ-UHFFFAOYSA-N 355.394 1.852 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 169296049 UDICIPZKIVPQEI-CIMZGTONSA-N 350.418 1.987 0 40 FDAB CO[C@@H]1CN(C(=O)c2nccnc2N)C[C@]12C[C@H](c1ccccc1)CO2 643586080 XCIJDLMSCARCIX-QMTMVMCOSA-N 354.410 1.473 0 40 FDAB Cc1nccn1C[C@H](C)C(=O)N1CCC(n2nnc3cccnc32)CC1 12221646 DPHSCMKDASBGRW-ZDUSSCGKSA-N 353.430 1.831 0 40 FDAB CCn1c(N2C[C@H]3CN(C(=O)c4cncn4C)C[C@H]3C2)nc2ccccc21 1888909679 FKSHXKYMPFWFFP-GASCZTMLSA-N 364.453 1.998 0 40 FDAB Cn1ccs/c1=N\C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 21337083 HLWIIIODVJXUNZ-MSUUIHNZSA-N 359.432 1.876 0 40 FDAB Cc1nc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc(-n2cccn2)n1 1889151320 VFMQHWQNOALAGK-UHFFFAOYSA-N 362.441 1.965 0 40 FDAB CCN1CCN(C(=O)[C@H](C)Sc2nc(N)c3ccsc3n2)CC1 25607856 OOMVRDKEFXBPNI-JTQLQIEISA-N 351.501 1.918 0 40 FDAB C[C@]1(C(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)CC=CCC1 1565553090 KDHCOYYVQKSVKL-YRNRMSPPSA-N 368.437 1.657 0 40 FDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4107267 FVZYVMXFUJYLAW-UHFFFAOYSA-N 362.367 1.832 0 40 FDAB COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 7419016 PBNIKLBYMMQALZ-UHFFFAOYSA-N 369.381 1.599 0 40 FDAB Cc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c2c1cnn2-c1ccccc1 12227993 YVSZQBWKYBQMDQ-OAHLLOKOSA-N 367.409 1.186 0 40 FDAB O=c1ccc2c(n1CC1CCOCC1)CCN(S(=O)(=O)C1CC1)CC2 2055782242 STGMTWYPKZOEQI-UHFFFAOYSA-N 366.483 1.168 0 40 FDAB CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)N3CCSCC3)C2)cc1 2086860574 YJWMYAWKYPWFQS-AWEZNQCLSA-N 368.524 1.882 0 40 FDAB Cc1ccc(C)c(NC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1 49411070 KVOFFBPZIQMGLB-UHFFFAOYSA-N 356.426 1.644 0 40 FDAB C[C@H](C(=O)NCc1nc(-c2ccccc2)no1)n1nc2c(cc1=O)CCC2 585150561 RAUPRQPHDVXFCJ-GFCCVEGCSA-N 365.393 1.659 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)c1 1632861791 VAHOVJLSOQZRMD-GFCCVEGCSA-N 355.398 1.963 0 40 FDAB COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 19554313 GQMKEEIVZDTCFY-OAHLLOKOSA-N 352.438 1.690 0 40 FDAB CC(C)CN(C(=O)CSC1=NCCS1)[C@@H]1CCS(=O)(=O)C1 40158930 WUAHVDSMUQNBLU-LLVKDONJSA-N 350.531 1.494 0 40 FDAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCCN(c2cnccn2)C1 31294860 DXOTYLGYJNMHCE-CJNGLKHVSA-N 362.380 1.821 0 40 FDAB COc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 20648109 LPZFRBVPBHCBNB-QGZVFWFLSA-N 360.410 1.857 0 40 FDAB CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCOCC1)C(F)(F)F 20609046 BXCXPMIAMBTWPU-HNNXBMFYSA-N 360.332 1.570 0 40 FDAB O=c1[nH]c2nc(NCCCn3cccn3)ncc2c(=O)n1C1CCCC1 101462625 XNUGWXWRGIXHRN-UHFFFAOYSA-N 355.402 1.294 0 40 FDAB CC1(C)C[C@@H](Nc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)CCO1 101710372 RIAUSBISPUNVJA-HNNXBMFYSA-N 369.465 1.979 0 40 FDAB O=C(Cn1cccc2c(=O)n(Cc3ccncc3)c(=O)nc1-2)c1ccccc1 32641763 XQWKIHKOHKQVHJ-UHFFFAOYSA-N 372.384 1.836 0 40 FDAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1cccs1 22471452 YWSXTRXNWCVUPZ-UHFFFAOYSA-N 370.434 1.877 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Oc1ccc3c(c1)OCO3)C2=O 24008426 QFCFGMIDUKKXGS-ZMZPIMSZSA-N 360.366 1.821 0 40 FDAB O=C(c1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1)N1CCCC1 24944955 NXJCSLTVMBPLBT-LJQANCHMSA-N 371.481 1.746 0 40 FDAB CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Cc3ccccc3)c(=O)n1C2 4258940 HNAJANJDXJTLQN-DLBZAZTESA-N 365.433 1.995 0 40 FDAB biogenic,in-vitro O=C1NC(=O)C2(CCN(C(=O)c3cc(Cl)cc4cccnc34)CC2)N1 56400487 ZFIFKZAAYGPOBL-UHFFFAOYSA-N 358.785 1.702 0 40 FDAB CCc1nn2c(=O)cc(CSc3nnnn3-c3ccccc3)nc2s1 6588505 LKSJMPGGCITNFH-UHFFFAOYSA-N 371.451 1.981 0 40 FDAB CCOC(=O)c1cnc(C)c(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 95454822 XKYYNOZIRUQPDI-LLVKDONJSA-N 350.419 1.991 0 40 FDAB Cc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1S(=O)(=O)N(C)C 7784578 QYFLPYDWMDBORY-UHFFFAOYSA-N 370.519 1.787 0 40 FDAB O=C(NCc1ccccc1)c1ccccc1OCCCN1C(=O)CNC1=O 84539266 ONZCVSFEIUZSHF-UHFFFAOYSA-N 367.405 1.937 0 40 FDAB CCCN(CC(F)(F)F)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58085711 FHBITGVDADPCME-UHFFFAOYSA-N 357.332 1.881 0 40 FDAB CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@@H]3C#N)(CC1)CC2 59791219 AKFNKZFJBFQFAA-BULQSVBWSA-N 351.422 1.695 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN([C@H]3CCOC3)C2)O1 107195027 FOXYSEKAGOZVIK-WDSOQIARSA-N 350.459 1.750 0 40 FDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1ccc(OC)c(OC)c1 58196308 WQBJKGBKYDMWGV-CYBMUJFWSA-N 350.415 1.319 0 40 FDAB Cc1ccc(NC(=O)CCNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)nc1 58218729 GFWGJUWGFMWPAY-KBPBESRZSA-N 354.476 1.531 0 40 FDAB CCCS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1 23126074 SRBSFEFMJMYBPL-UHFFFAOYSA-N 360.483 1.983 0 40 FDAB Nc1nccnc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 36438394 SNWPXFRQCXEXAA-UHFFFAOYSA-N 374.832 1.109 0 40 FDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCn2c(=O)oc3ccccc32)on1 11010197 YTXVVBOHOXUOLM-LLVKDONJSA-N 359.338 1.851 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 45400946 VMNIITQEGOCZEA-AWEZNQCLSA-N 358.442 1.817 0 40 FDAB CCCNC(=O)[C@H](C)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466716 IXAJWPZFHWJVDU-XJKSGUPXSA-N 366.893 1.399 0 40 FDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12391865 OMTHNNJAVONFPV-UHFFFAOYSA-N 350.400 1.022 0 40 FDAB O=C(Nc1cnccn1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48290872 MHMOZPVGEAXYJW-UHFFFAOYSA-N 370.438 1.397 0 40 FDAB C[C@H]1Oc2ccc(NC(=O)c3cccnc3N3CCOCC3)cc2NC1=O 12746854 JJFCTGFMXHIWPY-GFCCVEGCSA-N 368.393 1.890 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC2CCCCC2)C1=O 3369398 HCKQFMMIQDJNTP-UHFFFAOYSA-N 353.419 1.089 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 103037555 XCGWOJVPCGDQCY-BETUJISGSA-N 358.394 1.977 0 40 FDAB Cc1cc(=O)c(C(=O)N(C)CC(=O)OC(C)(C)C)nn1-c1ccccc1 60344499 HLUUPNATKVSXIJ-UHFFFAOYSA-N 357.410 1.955 0 40 FDAB CCOCCCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 13140451 WBZDFCQOOFXNIF-MRXNPFEDSA-N 372.425 1.174 0 40 FDAB CCN(CC(=O)NC(C)C)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 9389974 FNYKPZGYJOTZQZ-UHFFFAOYSA-N 371.485 1.677 0 40 FDAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 14119841 FFHPUSLQTXDLQS-HNNXBMFYSA-N 360.458 1.201 0 40 FDAB CC(C)(C)N1C(=O)[C@@H]2C3C=CC([C@H]2C1=O)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]31 4553204 LZGVDLOLBZIVCC-LWENGXMVSA-N 358.438 1.602 0 40 FDAB Cc1occc1C(=O)NCC(=O)NCC1(N(C)C)Cc2ccccc2C1 72304186 DKDCVUFFEJINED-UHFFFAOYSA-N 355.438 1.533 0 40 FDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 4723687 IPFUSCHZZJWDFR-ZDUSSCGKSA-N 356.419 1.085 0 40 FDAB CN(C)[C@H]1N(C(=O)c2ccccc2)N=C2c3ccccc3S(=O)(=O)N21 19891898 PLIMVQBZTKBHQW-KRWDZBQOSA-N 356.407 1.354 0 40 FDAB COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c1OC 9547854 UTBCXDAFTPBUCD-WMLDXEAASA-N 363.435 1.983 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)C1CC1 7087778 FCXWEZBZOXNTLR-HUTHGQBESA-N 351.353 1.647 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC(=O)OC/C=C/c1ccccc1 7631674 KMPIFLCCFAOEBN-RMKNXTFCSA-N 350.396 1.826 0 40 FDAB Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C 7777625 YWUURAPTNOGUKY-UHFFFAOYSA-N 364.471 1.409 0 40 FDAB CCS(=O)(=O)c1ccccc1C(=O)NS(=O)(=O)c1cccs1 69524626 AQLDGEWLJMXRBQ-UHFFFAOYSA-N 359.450 1.660 0 40 FDAB CC(C)CNC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 8748290 VJXZBRDTQAAYCM-UHFFFAOYSA-N 353.488 1.202 0 40 FDAB Cn1cc(C(=O)NC2CCN(C(=O)NCC3CCSCC3)CC2)cn1 95959360 JQIYTPSLAFKSOK-UHFFFAOYSA-N 365.503 1.467 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)c2nc(C)cs2)cc1 95939103 MVLPZRUSJKXWOX-JTQLQIEISA-N 353.469 1.893 0 40 FDAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1C 20029434 GYEYRDLQODASDQ-SFHVURJKSA-N 372.469 1.332 0 40 FDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(F)cc1 408651407 AXSPSOYRNZENHA-BNBDDXAPSA-N 372.352 1.115 0 40 FDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218095759 ATYDAPZGAJGXBD-RYRKJORJSA-N 361.419 1.665 0 40 FDAB NC(=O)NC(=O)CCNC(=O)c1ccccc1COCc1ccccc1 1545219191 SJQYGPDQYQORLB-UHFFFAOYSA-N 355.394 1.718 0 40 FDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnn(C(C)C)c1)CC2 187824126 CMYODVFVTGWJDE-UHFFFAOYSA-N 362.455 1.965 0 40 FDAB O=c1n(CN2CCN(c3ccccc3)CC2)nc2c3ccccc3ncn12 72347009 UQMIAUHAVVOXRF-UHFFFAOYSA-N 360.421 1.824 0 40 FDAB CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc(C)cc3F)nc12 49400393 KTALDVLVZXIRDB-UHFFFAOYSA-N 372.404 1.823 0 40 FDAB CN(C)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)c(N(C)C)n1 224342555 WNEWLWHHRYFAQK-UHFFFAOYSA-N 357.386 1.688 0 40 FDAB CN1CCC(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 223421220 ZCYJJCPAGVQFIM-UHFFFAOYSA-N 373.906 1.312 0 40 FDAB CCc1nc(C(C)(C)NS(=O)(=O)c2ccc3c(c2)OCCO3)no1 328610753 NYMDLUMQZGEYHZ-UHFFFAOYSA-N 353.400 1.617 0 40 FDAB COC(=O)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058360 IBDNOBSYOAASPQ-AWEZNQCLSA-N 372.418 1.048 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccccc1 193412212 SYQYKQQHQUMRPQ-CQSZACIVSA-N 362.451 1.987 0 40 FDAB CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 96216877 ILNLQDQDDWHCDP-SJORKVTESA-N 353.488 1.392 0 40 FDAB Cc1ccc(S(=O)(=O)NC[C@H]2COCc3nc4cccnc4n32)cc1 96112562 XNPIDBKXMKKQGS-ZDUSSCGKSA-N 358.423 1.790 0 40 FDAB biogenic,in-vitro CN1CCN(CC2(C)CCN(S(=O)(=O)c3ccccc3N)CC2)CC1 332161980 ZDCNWCOCLYXIHE-UHFFFAOYSA-N 366.531 1.307 0 40 FDAB O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96263656 WTZZWRHCADKRES-UKRRQHHQSA-N 355.435 1.091 0 40 FDAB CN(C)c1ncccc1CNc1cnn(CC(=O)N2CCOC(C)(C)C2)c1 585083667 ZKPCMTKGPQOGPQ-UHFFFAOYSA-N 372.473 1.594 0 40 FDAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNC(=O)c1cnccn1 248041451 OULQWJAGWRUSAW-CQSZACIVSA-N 373.482 1.653 0 40 FDAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cccnc3)C2)cc1 257212941 CFNCVJCNVXDTMU-FQEVSTJZSA-N 355.438 1.799 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 257300227 RTOPTJIZTPLSGK-LBPRGKRZSA-N 351.403 1.511 0 40 FDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cncnc3)CC[C@H]21 257269536 MQJRPYUFKQNSHA-GUDVDZBRSA-N 350.422 1.953 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(N)s3)C2)cc1 260891190 FOZVUXGMXRJVDI-JTQLQIEISA-N 354.457 1.697 0 40 FDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1 1123721251 OCUGWHNZVROMNQ-UHFFFAOYSA-N 359.426 1.988 0 40 FDAB COCCN1CCC(NC(=O)c2ccc(N3CCOCC3)c(C)c2)CC1 648751571 MLYWYQJADLHJIC-UHFFFAOYSA-N 361.486 1.672 0 40 FDAB COc1cc(CNC(=O)c2ccc(C(=O)O)nc2)ccc1OCCN(C)C 653292674 SSSHJBUUPZOFIY-UHFFFAOYSA-N 373.409 1.659 0 40 FDAB Cc1ccccc1[C@@]1(C)NC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 678062662 ARTFXCNGLIZMIG-MRXNPFEDSA-N 350.440 1.587 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 681943932 QEIPDIFMTWVYPG-GOSISDBHSA-N 374.437 1.340 0 40 FDAB O=C(O)c1cn(CCCCNS(=O)(=O)c2cc(F)cc(F)c2)nn1 583368849 HEKKZCQATMMZBE-UHFFFAOYSA-N 360.342 1.013 0 40 FDAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)[C@H]2C[C@H]2C)CC3)cn1 585096251 CVELSLOFLNYJLL-ZLDLUXBVSA-N 368.441 1.471 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccc(C)c3)C2)OC1 585105486 XQQPLLUSVJRJEN-QGZVFWFLSA-N 352.500 1.915 0 40 FDAB O=C(Cc1cccc(F)c1F)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1 685940413 KLEKQNPGHXOCAY-RTXFEEFZSA-N 350.325 1.320 0 40 FDAB CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCS(=O)(=O)C1 75325205 DPCKTDXRHHJJMQ-ZWKOTPCHSA-N 364.511 1.792 0 40 FDAB Cc1nc(CN2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)cs1 1615189893 ADYVXLAHWBIALK-IAGOWNOFSA-N 356.451 1.923 0 40 FDAB CC(=O)CCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615160178 XQDVHQZEBPQKQX-LJQANCHMSA-N 362.401 1.919 0 40 FDAB CN1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595655 JBPYGRUZVXNRBJ-HBFSDRIKSA-N 373.472 1.991 0 40 FDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC1CCC1 19374687 RLMSOZJJUDFWIA-LJQANCHMSA-N 357.410 1.186 0 40 FDAB COCCN1CC[C@@H](CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1 19577620 OBDQEQAVULFXEX-LBPRGKRZSA-N 366.434 1.142 0 40 FDAB CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1 4304896 AVSIFBQAVDOHFD-UHFFFAOYSA-N 351.428 1.079 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCC2)NC1CCCCC1 10256562 UJLZDLCNLZCSOJ-UHFFFAOYSA-N 351.472 1.265 0 40 FDAB COC(=O)C1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)CC1 14031413 QQCFHVAUKKSHBT-GFCCVEGCSA-N 351.428 1.000 0 40 FDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)no1 36413102 LVFJBNFVGQWQAL-UHFFFAOYSA-N 360.389 1.827 0 40 FDAB CCN1CCN(C(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 5523599 JCWHVSGGLQXZRA-UHFFFAOYSA-N 367.471 1.365 0 40 FDAB Cc1cc(N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)ncn1 1889226167 REZVKBQGNYLAGP-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1cccc(F)c1 25873269 YEJKSHNENFYMBX-UHFFFAOYSA-N 369.418 1.359 0 40 FDAB COC(C)(C)C(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838287 ASTFDOMAWXBHQI-UHFFFAOYSA-N 364.417 1.975 0 40 FDAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1614929050 BUINWNGYCNMPGF-DBXWQHBBSA-N 373.497 1.805 0 40 FDAB COc1ccc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)c(C)c1 1565554630 WCKBHKMYDMMQCV-UHFFFAOYSA-N 366.425 1.886 0 40 FDAB Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 1565555571 CZWNGKYMKBPKGW-CRAIPNDOSA-N 366.483 1.983 0 40 FDAB O=C(Cn1ccn(-c2ccc3c(c2)OCO3)c(=O)c1=O)c1ccc(F)cc1 4569993 VSYDGTOWUJOPPC-UHFFFAOYSA-N 368.320 1.750 0 40 FDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 4940660 JAPUCSZOZJPRRY-UHFFFAOYSA-N 374.374 1.589 0 40 FDAB O=C(NCCNC(=O)c1nc(-c2ccc(F)cc2)no1)c1cccnc1 12374798 LLQNGTFCJBHZIA-UHFFFAOYSA-N 355.329 1.431 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)c(C)c1 16806863 WKGXWDCBJKGQJA-UHFFFAOYSA-N 362.411 1.942 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCOCC3)C2)n(-c2cccnc2)n1 2332241685 VLGUGFCGPNROAT-BMGDILEWSA-N 357.458 1.736 0 40 FDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 40092674 JAJAZFMOWSMKII-ZDUSSCGKSA-N 373.482 1.797 0 40 FDAB CCOC(=O)[C@H]1CSCCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 40062263 UTWFUWNIFCOCNM-DZGCQCFKSA-N 364.467 1.702 0 40 FDAB COc1ccc(-c2nc(CC(=O)NCCC(=O)O)cs2)cc1OC 32103439 GDPVAMZYNGIQFA-UHFFFAOYSA-N 350.396 1.961 0 40 FDAB O=C(NCCC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1Cl 52361134 JFFJTFCCSLKAJJ-UHFFFAOYSA-N 370.808 1.965 0 40 FDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@@H]1CCOc2ccccc21 32895636 POXPCBPEHLQZKF-GFCCVEGCSA-N 351.384 1.389 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 677163 IKLTZJXXVYQTEG-UHFFFAOYSA-N 355.485 1.986 0 40 FDAB CC1(C)S[C@@H]2N(C(=O)C2(Br)Br)[C@@H]1C(=O)O 800348 YLGIIVBDSLVWDR-CVYQJGLWSA-N 359.039 1.619 0 40 FDAB biogenic COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CN(C)c2ncccn2)c1C 23173750 KYUDOYSSCKQXFE-UHFFFAOYSA-N 360.370 1.070 0 40 FDAB CCN1C(=O)[C@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 105914755 AFOPYWLIUQVUQP-WMZOPIPTSA-N 361.401 1.720 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCCO2 1034651 CJGJEVXIKXIDEQ-UHFFFAOYSA-N 373.386 1.875 0 40 FDAB Cc1noc(CCCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 79107065 FGFUOBKENDZMIF-ROUUACIJSA-N 370.453 1.813 0 40 FDAB C[C@H]1CN([C@H](CNS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 106562653 JVIMGSUUWXJPOC-GXFFZTMASA-N 350.843 1.790 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-n3ccnc3)nc1)C2=O 25248396 RXDGMCWBFGOPGP-UHFFFAOYSA-N 368.397 1.413 0 40 FDAB COCCNC(=S)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4132711 BVODYHDQLCYSME-UHFFFAOYSA-N 363.483 1.460 0 40 FDAB O=C(CNc1cccc(Br)c1)N1CCN(C(=O)C2CC2)CC1 55824285 WYAZGRAXNCGTFY-UHFFFAOYSA-N 366.259 1.942 0 40 FDAB Cc1c(N2C(=O)S[C@@H](CC(=O)O)C2=O)c(=O)n(-c2ccccc2)n1C 1470531 YRCKDKJENWKOHS-NSHDSACASA-N 361.379 1.528 0 40 FDAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCCC1 4711146 QAVMMGXPBAXLEN-UHFFFAOYSA-N 363.433 1.503 0 40 FDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCCN(c2cccnn2)CC1 107250536 WRVHAPZBUODDRW-UHFFFAOYSA-N 363.421 1.600 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 7781709 QCHJZHPEUHROHH-KRXBUXKQSA-N 360.391 1.757 0 40 FDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C2=Cc3ccccc3OC2)cc1 26109000 SJSXYQWADLATTI-UHFFFAOYSA-N 372.446 1.866 0 40 FDAB COc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)n1 35269286 MKJCWXBTXHNRFP-OAHLLOKOSA-N 361.833 1.487 0 40 FDAB Cc1ccc(CN2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)s1 108529777 GOXSYUCEMURPKU-IRXDYDNUSA-N 358.467 1.962 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 8328465 FJGBPSHJVNCXOG-UHFFFAOYSA-N 367.427 1.080 0 40 FDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccccc2C)n2ncnc2N1 54672247 JJSWZHLZMXQFDF-KRWDZBQOSA-N 352.442 1.649 0 40 FDAB O=CN1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 9063734 YKITZWSPBWMHHB-UHFFFAOYSA-N 367.852 1.992 0 40 FDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1 9288621 RAUQCPFTHNBTSP-TZMCWYRMSA-N 366.439 1.496 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 58171771 UAMSWASNUALYED-OAHLLOKOSA-N 365.861 1.903 0 40 FDAB O=C(Cn1cccn1)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100145904 DGXZWXYSQJZNJS-IAGOWNOFSA-N 365.437 1.818 0 40 FDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1C(N)=O 58158195 RGCQMTQPIQQULL-RCBQFDQVSA-N 359.426 1.530 0 40 FDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)nc(=S)n(C)c1O 2145226 HFIWMQRYZPTURO-SNVBAGLBSA-N 350.352 1.838 0 40 FDAB biogenic CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc(C)cn1 12537034 IBIWWIKCEIXTET-UHFFFAOYSA-N 363.443 1.719 0 40 FDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 45669791 IDBCFWHXEKCQPQ-CABCVRRESA-N 359.426 1.973 0 40 FDAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 46397636 WMCUBUDPDLTTBX-NVXWUHKLSA-N 373.478 1.860 0 40 FDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cnc2n(c1=O)CCS2 29897954 XQVTXTYFIAZDIM-CQSZACIVSA-N 374.466 1.899 0 40 FDAB Cn1cc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cn1 72325481 BXMZMACELKUTQA-HNNXBMFYSA-N 353.382 1.010 0 40 FDAB biogenic O=C1COc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc2N1 3292195 SIYFDSSHWSATIQ-UHFFFAOYSA-N 367.390 1.968 0 40 FDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)n1 12371843 ACSINRMTCVXVAI-UHFFFAOYSA-N 355.759 1.515 0 40 FDAB COc1cc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)NC(=O)[C@@H]23)ccc1O 100645500 DLDBZAVQHDYZBM-BBWFWOEESA-N 353.378 1.104 0 40 FDAB CC(C)N(CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(C)C 48262674 IMPJYULUPCSMKU-UHFFFAOYSA-N 366.487 1.586 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 10663077 AWVRSXXRTYSKEB-UHFFFAOYSA-N 355.441 1.500 0 40 FDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC(=O)NCc1ccco1 3458125 KHEFXXNAGYTZQJ-UHFFFAOYSA-N 362.386 1.250 0 40 FDAB COc1cn(CC(=O)NC2CC2)c(CN2CCc3ccccc3C2)cc1=O 95477232 MKVMZDCDKIBRPB-UHFFFAOYSA-N 367.449 1.694 0 40 FDAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3549082 HHVBVOXFMKAVJM-MRXNPFEDSA-N 366.805 1.341 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408650844 ACMGCOGPOZADNK-LUVWLHFXSA-N 370.405 1.508 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc2cn[nH]c12 39553538 ZWFDVJPLOLSBCD-UHFFFAOYSA-N 358.423 1.743 0 40 FDAB CC(C)Cc1nc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)n[nH]1 96115456 DDFSNVVZMNQDEV-MJVIPROJSA-N 366.491 1.668 0 40 FDAB biogenic CC1=NN(Cc2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148004 QEWCMEXCPKPLJS-CYBMUJFWSA-N 366.425 1.699 0 40 FDAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(F)c1 9315288 MQOAXKAKFFBEKY-GFCCVEGCSA-N 365.430 1.932 0 40 FDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)NCc1ccccc1 19799124 NPBURIAFDFFILO-UHFFFAOYSA-N 361.471 1.056 0 40 FDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCCCC1 5324130 NFGQIWIZAAPZAW-UONOGXRCSA-N 361.417 1.696 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(CC(=O)N(C)C)CC1 96315975 RNVKTYFWSWXYSL-OAHLLOKOSA-N 362.474 1.036 0 40 FDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1 14140932 HIBIFZQPIYNOPX-UHFFFAOYSA-N 366.483 1.699 0 40 FDAB CC(C)C(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 14135472 JFALSCVXOMAKML-CQSZACIVSA-N 358.442 1.160 0 40 FDAB O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NC1=NCCS1 6589507 YJNNHFUYYDFXDY-UHFFFAOYSA-N 365.839 1.367 0 40 FDAB CCN(C(=O)CSc1nc(C)c(C)c(C)n1)[C@H]1CCS(=O)(=O)C1 6612013 AOZYAXBUCRJMRH-ZDUSSCGKSA-N 357.501 1.530 0 40 FDAB O=C(Cc1cccc(F)c1)NCC(=O)N(CCCO)Cc1ccncc1 95430225 GPVHLUCJLKGKKV-UHFFFAOYSA-N 359.401 1.291 0 40 FDAB CCOc1ccc(-n2ccn(CC(=O)NC3CCCCC3)c(=O)c2=O)cc1 67255907 YBTAVJIQZZRJCG-UHFFFAOYSA-N 371.437 1.847 0 40 FDAB Cc1cc(C)n(CC(=O)NCc2ccccc2CN2CCC(O)CC2)n1 80922334 MGLZKCKIZSBQSO-UHFFFAOYSA-N 356.470 1.773 0 40 FDAB COC(=O)c1cccn1C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 70036653 CCQKFSWASDYVKC-ZDUSSCGKSA-N 361.442 1.743 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccccc1 28207387 OILCFWSJOQCMDK-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB O=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 97002146 XHXDBIFVHJSOGF-UHFFFAOYSA-N 367.452 1.667 0 40 FDAB COCC(=O)N1CC([C@@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306125198 CIYQHIHISNLJEX-KRWDZBQOSA-N 351.406 1.930 0 40 FDAB COC[C@H](C)NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 408623148 DGTYNPKFCVQXLH-ZDUSSCGKSA-N 350.440 1.757 0 40 FDAB COc1nn(C)cc1C(=O)NCC(=O)NCCc1ccc(Cl)cc1 56909597 LXEYUOIWQPUWBD-UHFFFAOYSA-N 350.806 1.171 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218651385 BFERPMGBDMFTQG-JJRVBVJISA-N 372.462 1.948 0 40 FDAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 224912193 FBYIDKJIJIBFRD-UHFFFAOYSA-N 353.327 1.834 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Oc2cccnn2)C1 225452462 BNOLQCOBQCHRMS-AWEZNQCLSA-N 365.393 1.257 0 40 FDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC1CCCC1 225778250 YXDZSQFAYSPWLL-UHFFFAOYSA-N 354.472 1.937 0 40 FDAB CSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)s1 225822887 TYXIAHAOJOKQKJ-UHFFFAOYSA-N 370.481 1.970 0 40 FDAB CC(C)CC(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244191 FSXHMMRQJHELNM-IBGZPJMESA-N 360.458 1.360 0 40 FDAB CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109329 BPEONSFRDWCMQE-WBVHZDCISA-N 352.456 1.272 0 40 FDAB CN(C)C(=O)N1CC2(CCN(Cc3cccnc3)CC2)[C@@]2(CCNC2=O)C1 96062606 SPQGKQZOEUFKOV-FQEVSTJZSA-N 371.485 1.167 0 40 FDAB COC[C@H]1CN(C(=O)c2ccsc2)CC12CCN(S(C)(=O)=O)CC2 247536238 QPBHQVIARTXDLS-CQSZACIVSA-N 372.512 1.508 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C 257225643 FHDRNTSCWXEXDI-MRXNPFEDSA-N 362.861 1.561 0 40 FDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCn1ccccc1=O 257299138 ROWQIXWLBLUFAS-MRXNPFEDSA-N 356.426 1.197 0 40 FDAB Cc1nccn1CC(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257218999 DFEYVORYLVUPJL-KRWDZBQOSA-N 357.458 1.513 0 40 FDAB C[C@@]12CN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@]1(C)C(=O)NC2=O 631454780 STULQJCRFDAPCL-PMACEKPBSA-N 363.421 1.516 0 40 FDAB Cc1cccc(CN2CCN([C@@H]3CCCCN(CC(=O)O)C3=O)CC2)c1 643874576 ZJRYEJPLAHFMSW-GOSISDBHSA-N 359.470 1.578 0 40 FDAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)N(Cc1ccccc1F)C1CC1 644254138 XXXODUVGYDSNIW-HNNXBMFYSA-N 354.447 1.436 0 40 FDAB Nc1nccc([C@H]2CCCN(C(=O)c3ccc(OCC(=O)O)cc3)C2)n1 663040147 FPRDLIYWBNYVDV-ZDUSSCGKSA-N 356.382 1.542 0 40 FDAB COc1ccc(F)cc1CN1CCN(c2ncnc3c2nnn3C)CC1 663338258 QKPNRPGPUHHIEG-UHFFFAOYSA-N 357.393 1.228 0 40 FDAB COCCn1cc(CNc2ncnc3ccc(S(C)(=O)=O)cc23)cn1 669659750 KOSDQLUPJFTVSL-UHFFFAOYSA-N 361.427 1.488 0 40 FDAB CCOCCN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCCS(=O)(=O)[C@H]23 1776006432 VPHLCWGYYWSKGU-ZMSDIMECSA-N 366.439 1.455 0 40 FDAB COCCN1C(=O)C[C@H](C(=O)N(C)CCC(C)C)[C@H]1c1nccn1C 1615553473 RXLCUYDFJXSKAZ-HOCLYGCPSA-N 350.463 1.461 0 40 FDAB Cn1cc(-c2noc(CNC(=O)c3ccc(C(F)(F)F)nc3)n2)cn1 390831986 WLNCFLIQLYCSSO-UHFFFAOYSA-N 352.276 1.814 0 40 FDAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575403049 FVGFCASAVNMKOP-BFHYXJOUSA-N 358.485 1.165 0 40 FDAB Nc1ccc(-c2ccc(N3C(=O)NC[C@H]4CS(=O)(=O)C[C@H]43)cc2)cc1 575421978 KCGQKUZCHCMWTF-WMLDXEAASA-N 357.435 1.879 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21 585112155 JPWVHLMQOZWRIJ-OAHLLOKOSA-N 352.435 1.518 0 40 FDAB Cc1cc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)no1 5702181 GHCJVVXMHFXMRK-UHFFFAOYSA-N 355.441 1.691 0 40 FDAB CCOC(=O)c1csc(C2=C[C@H](OC(C)=O)[C@@H](OC(C)=O)CO2)n1 5905153 PVVMXTGQKPELSR-AAEUAGOBSA-N 355.368 1.554 0 40 FDAB Cc1oc(-c2ccccc2)nc1CC(=O)NC1CCN(CC(N)=O)CC1 12729351 XQTAKLNDYXXYHH-UHFFFAOYSA-N 356.426 1.258 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14267181 JREFMWIJRKBRSN-UHFFFAOYSA-N 351.370 1.482 0 40 FDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3C[C@H](C)O[C@H](C)C3)nc12 19126872 HYQZMWZCFYSEKX-OKILXGFUSA-N 354.410 1.593 0 40 FDAB Cc1nccn1CCCC(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19288084 MXTXGBVTXIEQQG-MRXNPFEDSA-N 369.469 1.881 0 40 FDAB CC(C)C[C@@H](N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1 19446769 RNGZHWBZQCMGHC-QGZVFWFLSA-N 371.485 1.517 0 40 FDAB CO[C@@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@H]1c1cnn[nH]1 623031277 CLCXAQBKPSDCBX-XHDPSFHLSA-N 350.806 1.868 0 40 FDAB CSc1cccc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 575608250 MKKUVVZNVGXPAB-OAHLLOKOSA-N 368.524 1.790 0 40 FDAB O=S(=O)(N[C@H]1CCCN(c2ccc(Br)cn2)C1)C1CC1 1888866877 OLBKYSUWTZFXAB-NSHDSACASA-N 360.277 1.895 0 40 FDAB CCc1ncnc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1F 1888941727 RFXHMYGAFIYUAR-UHFFFAOYSA-N 368.420 1.789 0 40 FDAB NC(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N 1565519259 HHJCJFNSGDMCTN-UHFFFAOYSA-N 371.344 1.907 0 40 FDAB CC1CCN(c2ncc3c(n2)C[C@H]2CN(C(=O)c4cc[nH]n4)C[C@@H]32)CC1 1565546500 DFVXZHYPSQIIRV-DZGCQCFKSA-N 352.442 1.848 0 40 FDAB COc1cc(C(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)on1 1565545877 NFXGAQATGRUSEV-GOSISDBHSA-N 356.382 1.738 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCn3ccnc3)CC2=O)cc1C 5084254 KFROIFNRHDLLJY-INIZCTEOSA-N 355.442 1.995 0 40 FDAB COc1ccc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)nn1 12444097 RYRWNPMHRGDCFV-UHFFFAOYSA-N 366.377 1.554 0 40 FDAB Cc1cccc(C(=O)N[C@@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)n1 2055731778 UZUZHQKFVWSQJI-ZIAGYGMSSA-N 356.426 1.232 0 40 FDAB O=C(c1ccnc(C(F)(F)F)c1)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1 2055837481 KKVYXJGOPWHSTQ-DOMZBBRYSA-N 367.331 1.938 0 40 FDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCN3CCOCC3)CC2=O)cc1 22664419 KUXAFCPQKILSGA-INIZCTEOSA-N 360.458 1.122 0 40 FDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575617413 PJXRTGPWZJLHEZ-HNNXBMFYSA-N 350.378 1.507 0 40 FDAB O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 575615992 KSECNUWESZBWEF-LSDHHAIUSA-N 355.415 1.929 0 40 FDAB Cn1cc(-c2cncc(N3CCN(Cc4nnc(C5CC5)o4)CC3)n2)cn1 2298089004 RZHJHCDTQXWZJE-UHFFFAOYSA-N 366.429 1.460 0 40 FDAB O=C(CN1CCC(C(=O)N2CCSCC2)CC1)NC1CCCCC1 2298107053 RTGHYZCKVLZGBB-UHFFFAOYSA-N 353.532 1.723 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN([C@@H]4CCCC[C@H]4O)CC3)nn2)n1 2298179369 ZFIOFGVGXXEUAO-IAGOWNOFSA-N 356.474 1.705 0 40 FDAB O=C(c1ccncc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24388092 VQLBRNQMJSTKMQ-UHFFFAOYSA-N 363.414 1.758 0 40 FDAB O=C(Cc1ccccc1C(=O)O)Nc1cccc(CN2C(=O)CNC2=O)c1 40158791 KGFPKRGGKJNNCY-UHFFFAOYSA-N 367.361 1.618 0 40 FDAB C[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2nc(-c3cccs3)no2)C1 40106281 XZXBXQUPPWNEHG-NSHDSACASA-N 369.468 1.971 0 40 FDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31288061 STZNLKZMOPFEIJ-CQSZACIVSA-N 357.385 1.764 0 40 FDAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCCN(CC)CC)C1=O 20324086 GJBRTOQSHUBBEC-CCEZHUSRSA-N 352.479 1.851 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(OC)nc(OC)n2)n1 40487554 KYNISDNYMWPFEK-UHFFFAOYSA-N 365.415 1.260 0 40 FDAB C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2Cc2cccnc2)C1 20573615 DVYCXQOVMFVACX-AWEZNQCLSA-N 363.421 1.926 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)N1CCc2ccccc21 102226186 MMKSDIPEZSSWOL-HUUCEWRRSA-N 370.405 1.294 0 40 FDAB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102427166 PLQSGNQDDSEXMY-BETUJISGSA-N 356.378 1.671 0 40 FDAB O=C1C[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc2N1 32882473 DMVVEELLOGMONE-KRWDZBQOSA-N 368.412 1.991 0 40 FDAB CNC(=O)c1cccc(OC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c1 41850643 PIVGBMRYELSJIR-UHFFFAOYSA-N 352.346 1.556 0 40 FDAB CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)CC1 61721901 VAOWIGYCTJMZRS-ZDUSSCGKSA-N 351.378 1.019 0 40 FDAB CCOC(=O)c1cnn(-c2ncnc3c2nnn3Cc2ccccc2)c1N 1016896 PSDIWQBAJQBCPU-UHFFFAOYSA-N 364.369 1.214 0 40 FDAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cnn(C)c1 55425991 AWDFPPKLBRGOQF-SFHVURJKSA-N 358.442 1.598 0 40 FDAB COCCOCC(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 25160936 AULCEEHPHQSNBW-LBPRGKRZSA-N 373.475 1.142 0 40 FDAB CN(C)c1cccc(CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 58182048 NXINCUYADCJSKI-UHFFFAOYSA-N 372.450 1.108 0 40 FDAB O=C(Nn1cnc2ccccc21)c1cccc(S(=O)(=O)NC2CC2)c1 12547789 OQCXWELSACLYSS-UHFFFAOYSA-N 356.407 1.861 0 40 FDAB CC(C)C[C@H](CN(C)C)NC(=O)Cn1cc(Br)ccc1=O 58004748 ZFMKMXCTNHYVOY-CYBMUJFWSA-N 358.280 1.703 0 40 FDAB O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 8193473 VMCJZXHQUPZWCW-UHFFFAOYSA-N 365.480 1.964 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)Cc3ccccc3)nc2n1 8283055 SGMLTDDCYTUYHW-UHFFFAOYSA-N 353.382 1.557 0 40 FDAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 58157704 BOXQVLRAFYGVQE-CYBMUJFWSA-N 371.437 1.969 0 40 FDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccs1 8982682 HANHWIWOZPHKMJ-QMMMGPOBSA-N 351.409 1.317 0 40 FDAB COc1ccc(OCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 10291230 RIXDHPAUVCHCHQ-UHFFFAOYSA-N 353.378 1.669 0 40 FDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58203232 LECMFUAKQKRUHW-QWRGUYRKSA-N 363.451 1.932 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)c1C 22612204 WAHAZKFGEFCYLX-TXEJJXNPSA-N 351.447 1.647 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2ccc(C)cc2)C1=O 36391716 QVMWWBVEPIOJJD-BEFAXECRSA-N 358.442 1.884 0 40 FDAB CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1(C)C 95463073 UANRBOBQHCUVBZ-LEWSCRJBSA-N 361.485 1.428 0 40 FDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(=O)N(Cc2ccco2)C1 29289128 DLMKRPOKENRWJG-LBPRGKRZSA-N 352.354 1.243 0 40 FDAB CCN1C[C@H](C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1=O 60290633 PFOQXMXCBCLYDA-GFCCVEGCSA-N 361.423 1.689 0 40 FDAB O=C(COC(=O)c1cccc(N2CCNC2=O)c1)Nc1ccc(O)cc1 46505639 VBUVUIDSMMEWAK-UHFFFAOYSA-N 355.350 1.717 0 40 FDAB O=C(NCc1ccoc1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 47089958 AWDUNHLFOQMPIQ-UHFFFAOYSA-N 368.437 1.696 0 40 FDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)NCc1ccc(F)cc1 100128500 OBGYNNSMDUASCZ-IAGOWNOFSA-N 372.444 1.690 0 40 FDAB CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](C)C2 20801778 ZOFGDQUMDDDWHA-LBPRGKRZSA-N 369.425 1.839 0 40 FDAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 24821488 JQSHQDKVPUELAK-WBVHZDCISA-N 366.483 1.478 0 40 FDAB Cc1cc2c(cc1S(=O)(=O)NCCOc1ccccc1)NC(=O)CO2 4512195 WTDHDZQMQBZDKB-UHFFFAOYSA-N 362.407 1.683 0 40 FDAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccccc1 4852189 GHCKFQLNHAJLSO-UHFFFAOYSA-N 351.366 1.932 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)n1 15113657 INCNRRBCZUVUJH-UHFFFAOYSA-N 362.455 1.613 0 40 FDAB COc1cccc(C(=O)NC(=S)Nc2nnc(S)s2)c1OC 6928075 URWHHDNHFPMGDW-UHFFFAOYSA-N 356.454 1.971 0 40 FDAB CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300823 JUZPREBOGJGTDJ-UHFFFAOYSA-N 361.417 1.761 0 40 FDAB CNC(=O)NC(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 7256771 KXONELFIGHPGDU-UHFFFAOYSA-N 374.470 1.724 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(C)=O)c2ccccc2O1 7253651 HKXSEKSYYAYAHM-SFHVURJKSA-N 367.405 1.841 0 40 FDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccncc3)cc2)C1=O 15842724 PWOZWDAIRRDYGO-LBPRGKRZSA-N 359.407 1.324 0 40 FDAB NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409393166 VUOLUNKQLGNJTJ-UHFFFAOYSA-N 366.826 1.956 0 40 FDAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ncccn2)CC1 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TWERCTZKURCVJQ-CQSZACIVSA-N 373.544 1.572 0 40 FDAB O=C(c1cc(N2CCOCC2)ncn1)N1CCN(c2ccccc2F)CC1 243365500 MCVHVJLUOARTFM-UHFFFAOYSA-N 371.416 1.415 0 40 FDAB COc1cccc(S(=O)(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)c1 257237463 HGOLSEJJABTWAD-RDJZCZTQSA-N 352.456 1.907 0 40 FDAB O=C(c1cc2c(nc1O)CCC2)N1CCC[C@@](O)(CN2CCCC2)CC1 257340037 ZEFZQMPJDHHOJK-FQEVSTJZSA-N 359.470 1.729 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257273892 NIQLNBXOXIUISF-HNNXBMFYSA-N 359.430 1.684 0 40 FDAB Cc1ncc(-c2nccnc2C2CCN(C(=O)c3cnccn3)CC2)n1C 257240414 HTIVTAFYMWSUGN-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)NC(CO)CO)ccc2O1 257338479 YXPCIIIUBQBUET-FQEVSTJZSA-N 359.397 1.845 0 40 FDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC[C@H]1O 253601894 GGKGMBWHAMVSOQ-ZWNOBZJWSA-N 354.428 1.188 0 40 FDAB Cc1ncc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 257230329 GBTRMHXNUCBMHY-HNNXBMFYSA-N 351.410 1.764 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)ccn1 257225966 FIPUFRHPPLHEJN-CQSZACIVSA-N 357.370 1.058 0 40 FDAB CC(C)[C@H](OC(=O)c1ccc2c(c1)COC2)C(=O)N1CCC(C(N)=O)CC1 64691178 STWRQCKEPQBSMS-KRWDZBQOSA-N 374.437 1.622 0 40 FDAB Cc1c(Cl)cncc1C(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 1775957916 SMQUYIPZQXZPRE-LSDHHAIUSA-N 351.834 1.929 0 40 FDAB CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 90611909 FBPKDBQIEVGCGO-HNNXBMFYSA-N 371.393 1.270 0 40 FDAB COc1cccc(OC)c1CC(=O)N[C@H]1Cc2ccccc2N(C)C1=O 617497080 MFYGYSJACNEYKA-HNNXBMFYSA-N 354.406 1.950 0 40 FDAB N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)Nc1cnn2c1CCCC2 638978703 MKFKICXHZKWVBS-KRWDZBQOSA-N 364.453 1.973 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 644037200 GJHFHXIWCMVGFP-INIZCTEOSA-N 358.360 1.738 0 40 FDAB CN1C(=O)N[C@](C)(c2ccc(NCc3nnn(C(C)(C)C)n3)cc2)C1=O 657504796 KHKZLHPBTIDGRO-QGZVFWFLSA-N 357.418 1.437 0 40 FDAB C[C@H]1c2ccccc2OCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 660184498 ROZDRMAELQPPHM-KBPBESRZSA-N 373.496 1.597 0 40 FDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 96025324 FLZIQIBMFXNOPJ-NSHDSACASA-N 373.374 1.393 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)N2CCc3c(F)ccc(C(=O)O)c3C2)C1 663288216 FBBICYVQATWZNP-NSHDSACASA-N 356.419 1.859 0 40 FDAB C[C@H](C(=O)N1Cc2cnn(C)c2CC(C)(C)C1)n1cnc2c(N)ncnc21 663211746 XXPQVICWOYYDMK-LLVKDONJSA-N 368.445 1.314 0 40 FDAB CC(=O)N1CCN(C(=O)N[C@H](CCN)C(F)(F)F)CC12CCCCC2 667868597 GTPVXKQCDCTGFP-CYBMUJFWSA-N 364.412 1.843 0 40 FDAB Cc1snnc1C(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 585113562 UUPATEPKKMWQDG-KRWDZBQOSA-N 359.455 1.611 0 40 FDAB O=C(C[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21)NCc1ccco1 585095927 UMQCNOZQLVCXEV-AWEZNQCLSA-N 366.381 1.170 0 40 FDAB CS(=O)(=O)CCN1C[C@@]2(CCCN(CCc3ccccc3)C2)C1=O 585099388 HUMHWBIPZSDRAB-SFHVURJKSA-N 350.484 1.198 0 40 FDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 585281332 YVKGDKCEFWNRDV-OALUTQOASA-N 359.470 1.214 0 40 FDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCCC1 5703951 PBBMMBLPMIQROE-UHFFFAOYSA-N 355.485 1.581 0 40 FDAB c1ccc(CN[C@H]2CO[C@@H]3[C@@H](n4cc(-c5ccccn5)nn4)CO[C@H]23)cc1 5396119 CCOKKFONMWJMCX-VNTMZGSJSA-N 363.421 1.837 0 40 FDAB biogenic,in-vitro COc1ccccc1NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 5824033 ZXVIFYTUOVPUQV-SGANQWHYSA-N 358.375 1.331 0 40 FDAB CCCc1cc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)no1 19525378 MEWPLKPIWGOFDI-CQSZACIVSA-N 371.441 1.889 0 40 FDAB CCN1C[C@H](C(=O)N(Cc2ccccc2OC)C2CCN(C)CC2)CC1=O 19526850 ZJIVXOFUZIRBQQ-QGZVFWFLSA-N 373.497 1.986 0 40 FDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(CC(=O)N(C)C)CCO1 19702651 QLLIMZZUIYDFTR-LBPRGKRZSA-N 362.455 1.117 0 40 FDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O 8334149 NKJLATBNGQFORA-ZROIWOOFSA-N 365.455 1.831 0 40 FDAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OC[C@H]2C)n1 1848356451 JCDYJJZHWCNREW-SNVBAGLBSA-N 354.432 1.269 0 40 FDAB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)NC1CCCC1 10256655 PLCRYUOEYKGHPD-UHFFFAOYSA-N 351.472 1.265 0 40 FDAB CCN1C(=O)NC2(CCN(C(=O)c3cc(Cl)ccc3OC)CC2)C1=O 11612484 CCNFLSNOMIKLSB-UHFFFAOYSA-N 365.817 1.895 0 40 FDAB O=C(C[C@@H](NCCN1CCOCC1)C(=O)O)Nc1ccc(Cl)cc1 19938603 DMKZAWAACICIQX-CQSZACIVSA-N 355.822 1.044 0 40 FDAB O=C(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 244947585 DNBOZIKUHOUFKU-UHFFFAOYSA-N 367.405 1.138 0 40 FDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@@H](C(=O)OCC)C1c1ccc(OC)cc1 100099395 OTIWTQBEHDDZDU-IAGOWNOFSA-N 362.378 1.679 0 40 FDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccco1 4323198 AMVIHAANHZVJNQ-UHFFFAOYSA-N 363.439 1.161 0 40 FDAB CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CC[C@H](C)C2 4326481 MQWVYQGFYHCCGZ-VIFPVBQESA-N 363.439 1.320 0 40 FDAB CC(C)n1nc(CN2CCCCC2)c2c1CN(S(=O)(=O)N(C)C)C2 2055718017 VKIVYACXOSPUNL-UHFFFAOYSA-N 355.508 1.572 0 40 FDAB COc1ccc(C(=O)N2CCN(CC(=O)c3ccco3)CC2)cc1OC 38671195 MIWWPYKEDSXLPY-UHFFFAOYSA-N 358.394 1.938 0 40 FDAB COC(=O)c1ccc(C(=O)NCc2cc(-c3cnccn3)nn2C)cc1 240068078 SHSFQJPVEMZFMF-UHFFFAOYSA-N 351.366 1.594 0 40 FDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC2)CC1 8314119 UUCLQGDXFGWCHH-UHFFFAOYSA-N 366.439 1.106 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc3c(c2)OCO3)=NN1c1ccc(F)cc1 40061829 KCXYJQRZORZFBG-AWEZNQCLSA-N 370.340 1.613 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(C(F)(F)F)s1 100120219 LYBFDKUYAROUQV-HMJBSVBGSA-N 372.328 1.303 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 20111482 XJZSATTZQVGMJD-QGZVFWFLSA-N 360.435 1.573 0 40 FDAB COc1ccccc1NC(=O)C1CCN(C(=O)c2nccnc2N)CC1 31430697 LYGDVHHJPJZSMD-UHFFFAOYSA-N 355.398 1.558 0 40 FDAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102493914 JKQCUJGBSIALIY-KBMXLJTQSA-N 361.394 1.388 0 40 FDAB O=C(CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)N1CCNC1=O 102401026 WTMLECLGCXEIPA-ZDUSSCGKSA-N 373.388 1.607 0 40 FDAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 21900130 RBTNPVUATFZHAG-CYBMUJFWSA-N 360.501 1.692 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCc1ccccn1 23157221 DMRMDHWBXWOSDB-FQEVSTJZSA-N 364.405 1.134 0 40 FDAB CC(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 47718242 DYXNKXINTJIQMN-ZDUSSCGKSA-N 371.359 1.306 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 9117211 MUZRLMHKATZMLX-UHFFFAOYSA-N 358.398 2.000 0 40 FDAB Cc1ccc(N2CCCN(Cc3nc4ccccc4c(=O)n3C)CC2)nn1 106072730 CLTGVDGDPNAVFY-UHFFFAOYSA-N 364.453 1.744 0 40 FDAB CN(C)S(=O)(=O)c1csc(C(=O)Oc2ccc3c(c2)OCO3)c1 6680299 UQHNNEAQOAJHLG-UHFFFAOYSA-N 355.393 1.946 0 40 FDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCOCC3)s2)cc1 6817813 CVOGRKVAKPBLDP-UHFFFAOYSA-N 368.440 1.120 0 40 FDAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 7006973 KKWAAXSBRQSXAJ-UHFFFAOYSA-N 356.419 1.975 0 40 FDAB O=C(CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)NCc1ccco1 58179736 FZADIGVYMYYQLE-CQSZACIVSA-N 374.416 1.861 0 40 FDAB CCCCCNC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 27791905 OGZWSYYLRVHGSQ-UHFFFAOYSA-N 365.361 1.492 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCCOC)c(C)c1 28207613 VFOWEMGSTAEWIC-UHFFFAOYSA-N 372.487 1.557 0 40 FDAB CC(C)n1ncc2cc(C(=O)N3CCN(c4cnccn4)CC3)cnc21 11546176 NNPIGCYKFAIWEW-UHFFFAOYSA-N 351.414 1.765 0 40 FDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)no1 46155091 YRAXZPZQRPEBAP-DOMZBBRYSA-N 364.423 1.926 0 40 FDAB CCOCC(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108530046 CLYWQIZDOMMSBL-UHFFFAOYSA-N 352.475 1.681 0 40 FDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 170609948 KYKUIYWAQVIUIM-ZNMIVQPWSA-N 353.422 1.798 0 40 FDAB O=C(NCC1(c2ccccc2)CCC1)c1cnc2nc(O)[nH]c(=O)c2c1 47403888 HQQUYOXQIIHGIJ-UHFFFAOYSA-N 350.378 1.875 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nnnn2-c2cc(C)ccc2C)CC1 3272528 LWTIDMHUZBQGIE-UHFFFAOYSA-N 374.470 1.062 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 170268858 YNQARHISGNRTDG-LBPRGKRZSA-N 354.384 1.075 0 40 FDAB Cc1ccc(NC(=O)CN(C)CCc2c(C)nc3ncnn3c2O)cc1 96012923 AGHJAWLNWMISMR-UHFFFAOYSA-N 354.414 1.560 0 40 FDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96998334 JGDYCATXYZYXLG-INIZCTEOSA-N 365.543 1.870 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 14185571 NSBXXHICALXSDK-CZUORRHYSA-N 354.472 1.920 0 40 FDAB COc1ccc2c(C)c(CC(=O)N[C@H](CO)C(C)C)c(=O)oc2c1OC 6624549 KLJGKTNXRWJIHS-CQSZACIVSA-N 363.410 1.794 0 40 FDAB biogenic Cn1c(CC(=O)c2cccs2)c(C(=O)c2ccccc2)c(=O)n(C)c1=O 15106801 OVDUIXCMZSYVLK-UHFFFAOYSA-N 368.414 1.802 0 40 FDAB CCc1cc(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)sc1C 7337650 DROGIQTXQROLRH-UHFFFAOYSA-N 374.466 1.915 0 40 FDAB Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n(C)n1 67933592 RTVICHLVEIJMRW-MRXNPFEDSA-N 356.426 1.567 0 40 FDAB NC(=O)COc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68205072 HUFXLJKAYINUGO-OAHLLOKOSA-N 353.378 1.086 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1F 8155562 YYMOKYAQPYXVGB-UHFFFAOYSA-N 362.382 1.329 0 40 FDAB O=C([C@H](Cc1ccccc1)NC[C@@H]1CNc2ccnn2C1)N1CCCC1 69516409 FBEZBPWHNFVKKA-MSOLQXFVSA-N 353.470 1.748 0 40 FDAB Cc1nc(CCNC(=O)CN2CCC(c3ccccc3)CC2)cc(=O)[nH]1 95371926 YHWZFVOTOGRHKC-UHFFFAOYSA-N 354.454 1.617 0 40 FDAB CCC(=O)NCc1cc(S(=O)(=O)N(C)C[C@H]2CCOC2)ccc1OC 84718684 GXJWDRZORAWESW-CYBMUJFWSA-N 370.471 1.378 0 40 FDAB O=C(COC(=O)C1(O)CCCCC1)NC[C@H]1CCN(c2ccccc2)C1 75122219 YYDLTWSXOAPVJO-MRXNPFEDSA-N 360.454 1.868 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1OC 26111954 GWCWJZUXGGWBMM-UHFFFAOYSA-N 369.487 1.209 0 40 FDAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCO 409061072 UUBQYVFSIVRGKY-UHFFFAOYSA-N 366.414 1.125 0 40 FDAB O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1ccc2nc(O)nc(O)c2c1 506266717 CZUNGLDGIXBVON-NSHDSACASA-N 373.390 1.323 0 40 FDAB CCc1nnc(NC(=O)C2CCN(c3cc(C)nc4ncnn34)CC2)s1 35310943 OFMPRBYEVMKJOK-UHFFFAOYSA-N 372.458 1.702 0 40 FDAB Cn1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc2c1=O 72405069 JBMZDNHPDNCCPG-UHFFFAOYSA-N 361.405 1.944 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326618 XWEJOPYXXXHMOO-BLVKFPJESA-N 357.410 1.185 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(O)CCSC 75157594 HTYUTTMMXMXEEU-LBPRGKRZSA-N 353.487 1.317 0 40 FDAB NC(=O)c1ccccc1NC(=O)c1coc(NC(=O)c2cnccn2)n1 75157976 HHBDJLZTQMCMAN-UHFFFAOYSA-N 352.310 1.068 0 40 FDAB CSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)s1 225685001 WWBHIOBCQNFBJN-UHFFFAOYSA-N 374.494 1.974 0 40 FDAB CN(C)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(Br)c2)c1=O 222665190 BAYWKLDOVVTCMV-UHFFFAOYSA-N 368.187 1.048 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 222878561 QGAXJHMCAZPQNG-UHFFFAOYSA-N 360.435 1.953 0 40 FDAB Cn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NC3CCCC3)n2)n1 96218485 NSDUZSHDLLTOGJ-HNNXBMFYSA-N 356.430 1.778 0 40 FDAB Cc1ncsc1CN1CC[C@H]2C[C@H](C(=O)Nc3cnccn3)O[C@@H]2C1 96042826 ZGOUCJJBHYCWLH-BFHYXJOUSA-N 359.455 1.860 0 40 FDAB Cc1cccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)n1 96084640 QZSMJVMIZDJVBW-UHFFFAOYSA-N 353.426 1.755 0 40 FDAB CS(=O)(=O)N[C@H]1COCCC12CCN(Cc1ccc(F)cc1)CC2 96215317 CYXWJOIIBCWUGA-INIZCTEOSA-N 356.463 1.746 0 40 FDAB CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257289549 PZCSHKFGVWACGW-GYQJYAJYSA-N 368.481 1.748 0 40 FDAB C[C@H](NCC1(O)CCS(=O)(=O)CC1)c1nc(-c2cccc(F)c2)no1 543543186 JPHAQSWRDMGUFF-NSHDSACASA-N 369.418 1.466 0 40 FDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 269185440 CVAXADOGMOFSCO-MRVPVSSYSA-N 350.799 1.325 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 90744703 HIHDZLVZFNKBON-QGZVFWFLSA-N 358.438 1.778 0 40 FDAB O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)c1cnccn1 628676466 KOJAJIRXWWVOFS-MRXNPFEDSA-N 362.227 1.889 0 40 FDAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)Nc1ccc2ncnn2c1 662131360 NMNLSDZZQDKLEG-ACJLOTCBSA-N 365.393 1.484 0 40 FDAB CO[C@H](C)CS(=O)(=O)Nc1ncc(I)cc1C 295345843 QGJYOZUUDGTJTO-MRVPVSSYSA-N 370.212 1.771 0 40 FDAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)[C@@H]1CCCO1 390827975 MUOSTQGGUMHWAN-NSHDSACASA-N 360.399 1.352 0 40 FDAB O=C1CCCN1CC(=O)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 585277671 NUSAAOVJZUWLJL-GDBMZVCRSA-N 350.846 1.714 0 40 FDAB CCN(C(=O)c1cc(-c2ccccc2F)no1)[C@@H]1COC[C@@H](O)[C@H]1O 585287202 UHHHOLLPQDVUIT-FMKPAKJESA-N 350.346 1.063 0 40 FDAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585106801 IFYYQSUANCQBMT-WSNMIEGMSA-N 352.438 1.911 0 40 FDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)CCn1cnc2ccccc21 585279720 XZYUFLTVWPFSMG-IBGZPJMESA-N 358.442 1.570 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@H]32)n1 585108275 MTPWLLLNDUDHHC-BZUAXINKSA-N 357.414 1.047 0 40 FDAB COc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)c2nccn2C)cc1 29987422 FGZLVYBQVMCTHF-MRXNPFEDSA-N 355.398 1.243 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1 60348890 BLBDZEMKLZMIEZ-CQSZACIVSA-N 355.412 1.389 0 40 FDAB O=C(O)c1ccc(C(=O)[C@H]2C[C@@H](C(=O)O)CC[C@@H]2S(=O)(=O)O)cc1 5734714 IGMCVAYPFLKIAR-SRVKXCTJSA-N 356.352 1.325 0 40 FDAB CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)cc1OC 11566201 LFDDMEYPNQDQBZ-VIFPVBQESA-N 352.250 1.815 0 40 FDAB COc1ccc(CCNC(=O)c2cc(F)ccc2-n2cnnn2)cc1OC 12408478 NLUOHCIIXWZZSZ-UHFFFAOYSA-N 371.372 1.791 0 40 FDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(OC(F)F)c(Cl)c1 12750135 WGPQEZDYKKIXBU-UHFFFAOYSA-N 359.716 1.820 0 40 FDAB Cn1cnnc1SCc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1 17073286 ILDSKVDNBGWPBH-UHFFFAOYSA-N 354.395 1.428 0 40 FDAB C[C@@H](CN1CCOCC1)NC(=O)CCc1nc2cc(Cl)ccc2n1C 19714211 GHOWWKMSBXCGBQ-ZDUSSCGKSA-N 364.877 1.996 0 40 FDAB Cn1c(=O)cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)[nH]c1=O 19714489 DTDPTEZMGXRIBN-UHFFFAOYSA-N 367.390 1.702 0 40 FDAB Cn1nccc1N1CCC[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1=O 682957564 FMCAONJKORLJOC-HNNXBMFYSA-N 368.441 1.341 0 40 FDAB COc1ccccc1-c1ccccc1CN1CCN(C(C)=O)[C@@H](C(N)=O)C1 1848353588 KHSXNFWYLHEMGM-LJQANCHMSA-N 367.449 1.880 0 40 FDAB Cc1ccnn1CCC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 1848352470 YOBHBWGERKNHSM-MRXNPFEDSA-N 356.417 1.276 0 40 FDAB C[C@H](Oc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 1888897080 QFUKYZUGNYUMPI-AWEZNQCLSA-N 369.487 1.089 0 40 FDAB Cc1cc(C)nc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888897158 VSRAFPBPQMPNEY-ZIAGYGMSSA-N 350.430 1.343 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NCCn2ccc(-c3cnccn3)n2)c1 238816916 BRKGQCKYZRUARJ-UHFFFAOYSA-N 361.431 1.096 0 40 FDAB NC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124397 YVEAOTRQVBQBCG-HNNXBMFYSA-N 366.377 1.904 0 40 FDAB biogenic Cn1c(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cccc1=O 1614940047 BRBBOBYRUCWNQV-INIZCTEOSA-N 365.433 1.521 0 40 FDAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)c1 3622812 XLOQRJNSPLJPGG-OAHLLOKOSA-N 373.331 1.891 0 40 FDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1 6540239 HRGLWOUDMQLXPE-UHFFFAOYSA-N 361.423 1.272 0 40 FDAB CNC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)c2sc(C)nc2c1=O 8955700 PXJYZSALKFUQQM-UHFFFAOYSA-N 374.422 1.592 0 40 FDAB COc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)on1 2055756432 NEBNCKOSNOPNSH-KBPBESRZSA-N 356.382 1.402 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccc(F)cc2)o1 44357516 MAWXKRUVVOLPAR-NSHDSACASA-N 354.363 1.238 0 40 FDAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30209987 HPPRPDMUZUEMBN-UHFFFAOYSA-N 351.472 1.104 0 40 FDAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCc2ccccc21 40159178 ZGIVEXCCURDKMD-CYBMUJFWSA-N 373.409 1.230 0 40 FDAB CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)CCO1 30603713 KWPYVAYOOZIPHY-SECBINFHSA-N 371.319 1.638 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@H]([C@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 101039828 OJTAKJORQOHLEH-DTZQCDIJSA-N 371.393 1.949 0 40 FDAB Cc1ccnn1CCNc1c(N2CCN(c3ccccc3)CC2)c(=O)c1=O 101698810 VEYHWJGYVXYMAG-UHFFFAOYSA-N 365.437 1.226 0 40 FDAB C[C@@H]1CN(S(=O)(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 32895666 WQNYEMRJINXGEZ-MGPQQGTHSA-N 365.459 1.272 0 40 FDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NC(C1CC1)C1CC1 32900689 WMDOAILXPAXIPX-UHFFFAOYSA-N 355.442 1.682 0 40 FDAB CN(CCCC(=O)NCC[C@@H]1CCCO1)S(=O)(=O)c1cccs1 23189906 XQHPDMBUGSSNNC-ZDUSSCGKSA-N 360.501 1.834 0 40 FDAB CN1C(=O)N(CC(=O)N=c2[nH]c3ccccc3[nH]2)C(=O)C12CCCCC2 23269096 WVVPKEXZSJVSSV-UHFFFAOYSA-N 355.398 1.520 0 40 FDAB c1ccc(Cn2nnc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1 1347388 CDVKNAYPTJTNEN-UHFFFAOYSA-N 352.398 1.613 0 40 FDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1=O 43282324 VJBYFRDKVCZCBC-ZFWWWQNUSA-N 370.409 1.815 0 40 FDAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccccc1NS(C)(=O)=O 24893387 NSMMWYQFPOIAKN-JTQLQIEISA-N 367.452 1.877 0 40 FDAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(C(=O)C2CC2)CC1 25348528 ZXZZMWPTKDPFKN-SFHVURJKSA-N 358.438 1.939 0 40 FDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2)CC1 4686811 DRFPPVZEUTZOOE-QXGSTGNESA-N 365.433 1.142 0 40 FDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(N)=O 6384486 NDKIGLAWHNVHTE-LBPRGKRZSA-N 362.407 1.196 0 40 FDAB CC[C@](C)(NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C(=O)OC 58160963 GIGODGHRQMIZRV-GTNSWQLSSA-N 368.455 1.469 0 40 FDAB C[C@@H](Sc1nc2ccccc2o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8704566 KRTQMTHJORHXAT-MRVPVSSYSA-N 360.395 1.171 0 40 FDAB CCN(CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 44401228 VVCKULJORVWDPD-MRXNPFEDSA-N 367.515 1.691 0 40 FDAB Cc1cc(C)cc(N2C(=O)CN(Cc3ccco3)[C@H]3CS(=O)(=O)C[C@H]32)c1 57747702 NBSMOHUVVSZZAX-ZWKOTPCHSA-N 374.462 1.911 0 40 FDAB Cc1cccc(N2C(=O)CN(CCC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080502 DHNJXXXNIVJNHB-DLBZAZTESA-N 350.484 1.855 0 40 FDAB CCNC(=O)C1(NC(=O)CNC(=O)NCc2ccco2)CCCCC1 58209763 UGZXRQMXWYCLQG-UHFFFAOYSA-N 350.419 1.034 0 40 FDAB Cn1cc(-c2nc(C(=O)NCCc3nnc4ccccn34)cs2)cn1 44903457 XALVDPKFPZVPOF-UHFFFAOYSA-N 353.411 1.559 0 40 FDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 72242337 KDIHMGVGRBIDEP-OCCSQVGLSA-N 372.498 1.512 0 40 FDAB COCC(=O)N1CCOC[C@]2(CC[C@@H](CN(C)Cc3ccco3)O2)C1 107195035 JLRGWAHKJSTNDF-WMZOPIPTSA-N 352.431 1.134 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1OC 9526600 AUTTYQQXKVCGAW-UHFFFAOYSA-N 350.352 1.939 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc(Br)c[nH]1)C2=O 58399974 QHORWLIADBELOF-UHFFFAOYSA-N 369.219 1.923 0 40 FDAB COc1ccc(CCNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 170341191 YCSJDNQKBDKENF-UHFFFAOYSA-N 361.486 1.779 0 40 FDAB CCCCOCCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 21840458 UQXXQBOGOQMASP-UHFFFAOYSA-N 362.517 1.776 0 40 FDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3Cc2ccccn2)n1 100146403 OOSOFVBFMGGBBC-QZTJIDSGSA-N 354.454 1.895 0 40 FDAB O=C(c1cccc(-n2cccc2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12554593 PCWZMRQIQBXTEV-SFHVURJKSA-N 373.478 1.422 0 40 FDAB O=C(NCc1cccnc1)c1cc(Br)ccc1-n1cnnn1 12321910 QEHSACSAQPYLKF-UHFFFAOYSA-N 359.187 1.750 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C 21192514 VURXYIMDBPIZEG-UHFFFAOYSA-N 364.427 1.361 0 40 FDAB CN(C)c1ncccc1CNC(=O)Nc1ccc(N2CCOCC2)nc1 48079910 DIFLBXDUMAGZSL-UHFFFAOYSA-N 356.430 1.701 0 40 FDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 12697106 JCFHVFXWAKNDSW-SECBINFHSA-N 361.345 1.716 0 40 FDAB Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@@H]3CCCO3)CC2)cc1 22810829 GFPVSBPKIOIDDE-KRWDZBQOSA-N 367.515 1.070 0 40 FDAB COc1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1OC 3319330 NWNHRJSKMPNVGG-UHFFFAOYSA-N 373.361 1.906 0 40 FDAB O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373162 MCILINTZALSDTR-CQSZACIVSA-N 355.302 1.548 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 24257750 FFCKKZXEKQOLOW-UHFFFAOYSA-N 355.412 1.437 0 40 FDAB CS[C@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1N1CCCC1 95939751 XPMGTLBYDPPXAO-CVEARBPZSA-N 363.483 1.203 0 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O=C(COc1ccccc1P(=O)(O)O)NCc1ccccc1Cl 9419358 UISAOMNTFZBMQN-UHFFFAOYSA-N 355.714 1.838 0 40 FDAB Cc1cccc(-n2nnc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)c1 4938506 GPVRYYKYJDIEDI-UHFFFAOYSA-N 371.422 1.784 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)N[C@H]1C 5988671 MUQNHPGVXZDPFX-LBPRGKRZSA-N 362.382 1.517 0 40 FDAB CCCNC(=O)[C@@H](C)NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 8097344 VCBMLGYRRLXXDT-SNVBAGLBSA-N 353.806 1.669 0 40 FDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 8536500 NCDNXNAVAGPGNP-MGPUTAFESA-N 373.453 1.991 0 40 FDAB COc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)N(C)OC 8711018 HUOVZGCXKLDBAK-UHFFFAOYSA-N 365.411 1.833 0 40 FDAB COC(=O)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 8919241 FQXMETSZKCDGSE-UHFFFAOYSA-N 351.362 1.901 0 40 FDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 71144957 KYMUEIBHWISDDC-SNVBAGLBSA-N 363.277 1.688 0 40 FDAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)N1CCN(C)CC1 93173509 UGZYKCSSYXDBIM-WMLDXEAASA-N 351.878 1.876 0 40 FDAB Cc1nn(C)c2ncc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc12 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96218698 QXHFKBRIYAIYCR-MJGOQNOKSA-N 354.410 1.999 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3ccc(F)cc3)[C@@H]3CCCO[C@H]23)cn1 96056342 BNABWWQCZAPJEX-KZNAEPCWSA-N 358.417 1.721 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)cc1 96107898 NKWAGFRQVCHLEK-NVXWUHKLSA-N 352.456 1.308 0 40 FDAB Cc1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)no1 96043505 BKYNIKURMDAMMZ-BZUAXINKSA-N 357.414 1.639 0 40 FDAB COCCN1C[C@@H]2CN(C(=O)c3ccsc3)CCC[C@]2(C(=O)O)C1 96185181 ITXPMHGBXXLLKR-PBHICJAKSA-N 352.456 1.633 0 40 FDAB Cc1ncsc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 96218779 MIIKKLZRBRSDGE-RDTXWAMCSA-N 358.467 1.864 0 40 FDAB Cc1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)no1 247904769 JLTTWZBSIKUZAD-HNNXBMFYSA-N 351.472 1.682 0 40 FDAB CC(C)n1ccc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)n1 262829371 RXBNYEUFBUCSQZ-UHFFFAOYSA-N 351.384 1.818 0 40 FDAB CN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)O)[C@H]4CCC[C@@H]43)cc2C1=O 630276576 WMHHVUBXKJYDMR-ZLDLUXBVSA-N 356.378 1.628 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)N2CCc3cccc(F)c32)cn1 630674199 YTEPPLPEJUNMPT-CABCVRRESA-N 358.373 1.571 0 40 FDAB O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N1CCC[C@@H](N2CCCC2)CC1 654638980 MMHWNGNIPJOLNW-CABCVRRESA-N 362.478 1.816 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccc(F)cc2)CC1 670416084 IVRAXYUMEVPSNO-AWEZNQCLSA-N 371.416 1.937 0 40 FDAB CCc1c(C(=O)NC[C@H]2CCCC(=O)N2)cnn1-c1ccccc1OC 684081594 KCLKUWASNOQXLP-CYBMUJFWSA-N 356.426 1.842 0 40 FDAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)c1cnccn1 585097363 JOBDPELJWZNDPV-LBPRGKRZSA-N 354.414 1.101 0 40 FDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(OC)c3)[C@H](O)[C@H]2O)cc1 585262403 OMTJHSOQJKAWCH-YRXWBPOGSA-N 373.405 1.375 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 585111519 COCSMOJCBFACIS-CQSZACIVSA-N 354.501 1.749 0 40 FDAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccccc3C)CC2)CCO1 585286409 OOBLAMJNBFGZEP-IBGZPJMESA-N 361.486 1.163 0 40 FDAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)N(C)C(C)C 58316547 UAZGSGQKPQLKDW-UHFFFAOYSA-N 374.459 1.264 0 40 FDAB CSc1nc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 75108441 UBZRSPJNQQMMHS-UHFFFAOYSA-N 354.819 1.271 0 40 FDAB CN(C)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccsc1 42476020 ZIFJYIFYSZOBQB-STQMWFEESA-N 362.542 1.387 0 40 FDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cc(OC)n(C)n2)cc1 583623728 KRQFMBXGQHLVQA-APWZRJJASA-N 359.426 1.950 0 40 FDAB COC(=O)C1=NO[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 95444042 FGLUWZHCKJZWHM-OAHLLOKOSA-N 351.834 1.776 0 40 FDAB Cn1ncc2cc(C(=O)Nc3cc(-c4cccnc4)nn3CCO)cnc21 683716537 NGFXFZVJLNUWQA-UHFFFAOYSA-N 363.381 1.471 0 40 FDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)Nc3ccccn3)c(=O)n12 12117628 NSWGHZRNJPMNEQ-UHFFFAOYSA-N 363.377 2.000 0 40 FDAB Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n1 12121914 VVGYVKFBVHRAER-UHFFFAOYSA-N 356.426 1.865 0 40 FDAB CCS(=O)(=O)N1CCC(c2nnc(O)cc2-c2cc(C)no2)CC1 12276072 HKGIVLHZBFIJKF-UHFFFAOYSA-N 352.416 1.675 0 40 FDAB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c(OC)c1 13669670 CHPRVDYGZITWBA-CYBMUJFWSA-N 370.471 1.728 0 40 FDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2 14031761 YOIIAKXJDCQOJJ-GFCCVEGCSA-N 359.407 1.999 0 40 FDAB C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034093 GXIDXARVELAHFA-CIIVYKKGSA-N 361.829 1.879 0 40 FDAB C[C@H](c1ccccc1F)n1cc(C(=O)NCCCN2CCOCC2)nn1 19459516 HWWZLLQPTWYQEO-CQSZACIVSA-N 361.421 1.479 0 40 FDAB Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 19739083 SGZJBVVFBGNNBB-INIZCTEOSA-N 368.485 1.505 0 40 FDAB O=C1NCCOCCOc2ccc(Br)cc2CN2CCC[C@@H]12 643571129 YYUDDVZEPGGHEO-AWEZNQCLSA-N 369.259 1.939 0 40 FDAB Cn1cc(CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cn1 643914681 VYXACONXFUDEJJ-UHFFFAOYSA-N 354.520 1.836 0 40 FDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)OCO2 5403344 UCLNNSZLQJQPLJ-UUASQNMZSA-N 364.379 1.334 0 40 FDAB CCc1cnc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)nc1 1888897147 PRGWUFZVJSMJCO-KBPBESRZSA-N 350.430 1.288 0 40 FDAB Cc1cnc(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 2037839688 AKMZPVCCDYGAPO-LJQANCHMSA-N 370.384 1.572 0 40 FDAB CS(=O)(=O)CCC(=O)N1CC(c2ncn3ccc(-c4ccoc4)cc23)C1 1565554445 RIPSKNCMYPKVLQ-UHFFFAOYSA-N 373.434 1.955 0 40 FDAB Cc1ccc(C(=O)N2C[C@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)cn1 2055772416 GQZOANHQFHIELC-BZUAXINKSA-N 367.409 1.438 0 40 FDAB Cn1nccc1C(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055739025 IAQYJPANRAZMMN-NSHDSACASA-N 369.381 1.218 0 40 FDAB Cn1cc(S(=O)(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)cn1 1775970578 GJSUATXTZVVFOA-UHFFFAOYSA-N 357.439 1.893 0 40 FDAB O=S1(=O)N=C(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)c2ccccc21 2086864869 OQJDYDHJTXBNGJ-BETUJISGSA-N 372.425 1.738 0 40 FDAB NC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2c2ccncc2)=NN1c1ccccc1 30614783 BBNFZQIVIDYBPZ-ROUUACIJSA-N 363.421 1.865 0 40 FDAB O=C(NCc1ccccc1Cn1cccn1)c1cnc2sccn2c1=O 32845875 HHUGUCNSBAGZSS-UHFFFAOYSA-N 365.418 1.931 0 40 FDAB CC(C)NC(=O)CN1CCCN(C(=O)c2cc3ccccc3n2C)CC1 53798397 MGUIQRSXVCDZCL-UHFFFAOYSA-N 356.470 1.851 0 40 FDAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(C)C 53921233 CMPOEMAMRSOFLA-LJQANCHMSA-N 360.410 1.811 0 40 FDAB O=C(NCCCn1ccnc1)c1ccc(=O)n(CCOc2ccccc2)n1 23238684 HFXDZSOWCALKFE-UHFFFAOYSA-N 367.409 1.339 0 40 FDAB COc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 23717480 WPCBTYDKCSYCMS-IBGZPJMESA-N 371.393 1.414 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 61722028 HVTLHFHZUTYZJG-HZPDHXFCSA-N 360.410 1.416 0 40 FDAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520719 YPGIYJFWMNZIEB-JTQLQIEISA-N 366.370 1.657 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)N1CCCC1 4999822 OSCKKTPDQUZGGZ-UHFFFAOYSA-N 353.378 1.427 0 40 FDAB CCCN1C(=O)/C(=C\Nc2ccccc2C(=O)NC2CC2)C(=O)NC1=S 6907448 OXNMLPBQWVNMMO-RAXLEYEMSA-N 372.450 1.528 0 40 FDAB CN(C)CCNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1 25720085 GZPNCIODQQBUMG-UHFFFAOYSA-N 368.462 1.966 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)CN1CCN(c2ncccn2)CC1 57336100 JRUJZTZZOLHAJW-QGZVFWFLSA-N 353.470 1.736 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)N1CCOCC1 44299530 MQUBRTPTSAOQLI-UHFFFAOYSA-N 366.439 1.182 0 40 FDAB CC(C)NC1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 108369495 VBVZWTNRTJJLBQ-UHFFFAOYSA-N 362.493 1.937 0 40 FDAB Cc1cc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c(=O)c2[nH]1 57521075 BBGKNLVDTGNCGS-UHFFFAOYSA-N 372.406 1.697 0 40 FDAB CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2[nH]1 9926407 XHWRAHWUQRNYRC-UHFFFAOYSA-N 370.390 1.722 0 40 FDAB CCOC(=O)C12CCC(NCC(=O)N3C[C@H](F)C[C@@H]3C#N)(CC1)CC2 59791217 AKFNKZFJBFQFAA-JDPPGYRCSA-N 351.422 1.695 0 40 FDAB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3C)cc1OCC(=O)O 95424312 LIYVAXJELJKGIM-CYBMUJFWSA-N 359.382 1.700 0 40 FDAB COc1ccc([C@@H]2CCCN2C(=O)NC2CCN(CC(N)=O)CC2)cc1 45402268 NDIYVRWRCXRHAA-KRWDZBQOSA-N 360.458 1.491 0 40 FDAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 11359863 FOGFXNZQMRISOM-NSHDSACASA-N 365.411 1.086 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccc(F)cc2N1 11332869 VZBBLNTWGKTISP-CQSZACIVSA-N 371.368 1.829 0 40 FDAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)c1 2410973 ALLRYESENOQYEZ-CYBMUJFWSA-N 359.329 1.629 0 40 FDAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H]2C=CS(=O)(=O)C2)CC1 101509851 RUPBDMLPWKLRSD-HZSPNIEDSA-N 372.487 1.744 0 40 FDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 100748198 LIVGVRONGLZGGN-INMHGKMJSA-N 358.486 1.986 0 40 FDAB COCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 57614937 NOZWGICCQSRZTE-NTUHNPAUSA-N 364.379 1.214 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100462174 DNSNXLOPBIXZMA-QCUYGVNKSA-N 360.410 1.282 0 40 FDAB COC(CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C)OC 51318051 NZKUNXYWYWBUFV-UHFFFAOYSA-N 369.219 1.687 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)Cn1nc(C)nc1C 100753388 LJVHRUMXMOACCM-ZFWWWQNUSA-N 351.414 1.534 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)[C@H]1C(=O)O 71287957 UPYSBGLRICVFOB-KGLIPLIRSA-N 366.439 1.694 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccc3nc(C)sc3c2)C1=O 39987729 GUPZNSPAORVBSJ-INIZCTEOSA-N 361.427 1.768 0 40 FDAB CC(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 14142292 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JKHMBMCOPIMIJN-KGLIPLIRSA-N 355.442 1.799 0 40 FDAB Cc1cccn(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1=O 583621050 SEVJMGDKTWXPLV-MAUKXSAKSA-N 357.458 1.090 0 40 FDAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(c1ccncn1)CC2 96260554 AQBCDZIKRYBOES-UHFFFAOYSA-N 352.442 1.658 0 40 FDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cnccn2)C1 96057745 BICPPRMGHCARSD-APHBMKBZSA-N 353.382 1.130 0 40 FDAB CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)c4ccccn4)C3)C2)CC1 96228459 MSKMDBQXHKNYPX-XLIONFOSSA-N 358.486 1.340 0 40 FDAB Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2C 96251525 IDHSJJONGIPPPO-JKSUJKDBSA-N 351.472 1.720 0 40 FDAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1 248105300 IJUIIYKYNSPWCY-AWEZNQCLSA-N 360.433 1.794 0 40 FDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1cccnc1OC)C2 247823448 DSHGNOZZNLRDKL-OAHLLOKOSA-N 369.487 1.011 0 40 FDAB CN(C)C[C@H]1CCC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)OC1 248134143 RDIXGCOHYBJUHG-MRXNPFEDSA-N 352.500 1.633 0 40 FDAB NCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1 257292419 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1775961772 ZAEYZTVLKHXRLC-CABCVRRESA-N 350.444 1.761 0 40 FDAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1n[nH]c2c1CCCC2 96142288 MGXXWPNNGUHEDF-UHFFFAOYSA-N 363.421 1.942 0 40 FDAB Cc1cnc2c(S(=O)(=O)N[C@H](Cc3ccncc3)C(=O)O)cccc2c1 647928044 CWOYXFQNSZRZEC-OAHLLOKOSA-N 371.418 1.912 0 40 FDAB O=C(O)CCCN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575423119 YGQNGJSCEMDBKC-CYBMUJFWSA-N 356.469 1.737 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)/C=C/c3cnc[nH]3)CC2)C[C@@H](O)C1(C)C 585290997 KBOXCGMHFCLRKP-DWTRPJMMSA-N 360.458 1.423 0 40 FDAB COC(=O)CN1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1616031476 NVEOWFOKXLICTF-INIZCTEOSA-N 371.275 1.447 0 40 FDAB O=C(CN1CCC(n2nnc3ccccc3c2=O)CC1)N1CCCCCC1 12145970 COBZZMAQODOYTB-UHFFFAOYSA-N 369.469 1.831 0 40 FDAB Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 14117887 HLSRPKIWIVFPIZ-UHFFFAOYSA-N 354.457 1.521 0 40 FDAB CC(=O)N1CCc2c(O)nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)nc2C1 19019064 GJDVWPOBCRNHGH-CABCVRRESA-N 370.453 1.759 0 40 FDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)c3cccc(F)c3)C[C@H]1C2 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Cn1c(=O)c2c(nc3scc(CSc4ccccc4N)n32)n(C)c1=O 4629734 YOGGNEBIIRJOLZ-UHFFFAOYSA-N 373.463 1.821 0 40 FDAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1 6100413 FVNHAPGAOWPXPI-UHFFFAOYSA-N 355.379 1.961 0 40 FDAB Cc1cc(C(=O)N[C@H]2CCc3onc(C(=O)NCc4ccco4)c3C2)no1 2055738651 HJRZIWWFBMMPFZ-NSHDSACASA-N 370.365 1.781 0 40 FDAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(C)=O)CC3)C1=O 2055795756 RAEZXGBDMMEHQW-IBGZPJMESA-N 357.458 1.164 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(Br)ccc3F)CC2)N1 22508717 OVAMMCRCUMYELK-UHFFFAOYSA-N 370.178 1.402 0 40 FDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1 40142525 QLPYVMHOJYQITO-WMLDXEAASA-N 356.474 1.959 0 40 FDAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3C=C12 20112097 FKCWOQLNDLTAMC-JFQNMGATSA-N 362.514 1.911 0 40 FDAB biogenic CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccnc(Cl)c2)CC1 21033500 QQWJOHQDYZXGAR-UHFFFAOYSA-N 360.867 1.079 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3cnn4C)C2)nc1 52450032 RQYMHUXJWQXARH-ZDUSSCGKSA-N 351.414 1.922 0 40 FDAB CCc1nc(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)cs1 22865557 FMTFCOSYASIZCI-UHFFFAOYSA-N 350.396 1.935 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1occc1COc1ccccc1 23098385 SWPXNMASFSFSRE-UHFFFAOYSA-N 358.394 1.837 0 40 FDAB COc1ccc(NC(=O)NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 23075239 FZTQQGXSAHFTKJ-UHFFFAOYSA-N 370.344 1.836 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O 24043089 GUDDWDSHDUWACK-FQEVSTJZSA-N 366.421 1.598 0 40 FDAB O=C(NCCc1ccncc1)c1cc(Br)ccc1-n1cnnn1 79493156 SHVJZHQNBMLUBX-UHFFFAOYSA-N 373.214 1.792 0 40 FDAB COc1ccccc1N1CCN(C(=S)NCCN2CCOCC2)CC1 25196580 AWWLIDMHJZQBHS-UHFFFAOYSA-N 364.515 1.024 0 40 FDAB CCn1ncc(Cn2cc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)c1C 6633841 PPQOYZMMWPSTTC-QXSJWSMHSA-N 373.413 1.273 0 40 FDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CN1CCCCCC1 25407427 COZUMIVSMHLOKN-UHFFFAOYSA-N 353.488 1.429 0 40 FDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)o1 7541216 SODDPVUUYKIFBU-SNVBAGLBSA-N 352.368 1.419 0 40 FDAB Cc1cccc(N2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)c1C 35336369 VMWHJYVPBSONTP-UHFFFAOYSA-N 372.391 1.814 0 40 FDAB Cc1ccc(NC(=O)CNCc2ccncc2)cc1S(=O)(=O)N(C)C 57427978 CJACLJBMQXEQHF-UHFFFAOYSA-N 362.455 1.369 0 40 FDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)NC(=O)NC1CCCC1 12526512 UKTHXFRICHCOST-QWRGUYRKSA-N 360.414 1.975 0 40 FDAB Cc1ccc(CNC(=O)c2nnc(CSc3nnnn3C)s2)cc1 27592556 TZFJSLLKJGECRE-UHFFFAOYSA-N 361.456 1.592 0 40 FDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 100179977 IGNOGTUSSJKHTN-QZDIBKHGSA-N 370.449 1.925 0 40 FDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccc(F)cc3)co2)CC1 44900979 DILMDBIUWWTCPN-UHFFFAOYSA-N 374.368 1.961 0 40 FDAB CCCCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)cc1 58438065 RIUFHWJJUHSLOS-NVXWUHKLSA-N 357.454 1.777 0 40 FDAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 24943564 XHMMMCJKYVAPQN-LBPRGKRZSA-N 367.427 1.390 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 22236432 WYWNUYXVGCMFPG-UHFFFAOYSA-N 361.373 1.592 0 40 FDAB Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NN1CCOCC1 2778396 ANJONKYLGTXIQN-UHFFFAOYSA-N 371.157 1.336 0 40 FDAB Cc1cc(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C(C)C)n1 9112626 BUWSTDXTDJTNPZ-VXGBXAGGSA-N 357.501 1.692 0 40 FDAB COc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1 20141600 SFYLFUCHEMKWIH-GOSISDBHSA-N 368.441 1.660 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCO2)cc1C 10301226 PSJAYKQVIZDFRP-CQSZACIVSA-N 370.471 1.309 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 10795247 KRAFRLGAOBWJNW-GFCCVEGCSA-N 362.407 1.196 0 40 FDAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccco1 4250345 ROONOKYEQMPJCQ-GFCCVEGCSA-N 369.377 1.697 0 40 FDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NCC(F)(F)F)nc2n1 14021607 AQPAHHLKVXTRPU-UHFFFAOYSA-N 362.337 1.221 0 40 FDAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)CC(=O)N1CCOCC1 14124206 VPZSLRNJHBICJR-LBPRGKRZSA-N 373.375 1.823 0 40 FDAB NC(=O)Nc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 14245472 JRCUPYCAYSBXOX-UHFFFAOYSA-N 366.299 1.963 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(SC)cc1 4615000 FMQSMLOXIIOWID-BORJPKMPSA-N 366.435 1.794 0 40 FDAB O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCOCC1 71768204 LZNNKWGMWAEHKI-UHFFFAOYSA-N 366.381 1.667 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1OC 4815318 YAKCVJHQJDPLMG-CYBMUJFWSA-N 370.471 1.773 0 40 FDAB O=C1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2N1 6804572 BGIYPMVDNGBLRM-UHFFFAOYSA-N 363.370 1.585 0 40 FDAB COCCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)n[nH]c1=O 7348041 XENNMNOGHURFSV-UHFFFAOYSA-N 364.427 1.541 0 40 FDAB C[C@@H](NC(=O)NCCN1CCOCC1)c1nc(-c2cccc(F)c2)no1 80656676 QSVSUQGQEXFCQT-GFCCVEGCSA-N 363.393 1.568 0 40 FDAB CN1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)C1CC1)C2 306128335 GXOWLYLSCKJRMF-ZDUSSCGKSA-N 369.462 1.488 0 40 FDAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)c1 20492662 PWTQAJRVQBNDJR-UHFFFAOYSA-N 359.835 1.049 0 40 FDAB COC1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999892 RSPPYCJVRCDZOD-KRWDZBQOSA-N 366.483 1.732 0 40 FDAB COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1ccc(C)s1 95943767 PQPBQKAASTZOBI-UHFFFAOYSA-N 351.446 1.229 0 40 FDAB CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](C(N)=O)C1 8171876 NOWMUPSPVBMERB-ZDUSSCGKSA-N 368.275 1.605 0 40 FDAB NC(=O)c1nn(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 8368004 PIVPGXBPQXDDSM-CJNGLKHVSA-N 368.437 1.677 0 40 FDAB COCCCOCC(=O)Nc1nnc(-c2ccc(OC)cc2OC)[nH]1 95986710 MDBXVKQJOUWMGO-UHFFFAOYSA-N 350.375 1.481 0 40 FDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c(C)c1C 97012705 SBPUCFGTSLQYNL-MRXNPFEDSA-N 365.455 1.808 0 40 FDAB Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)[nH]1 8704306 IULDPDMEINCQDX-UHFFFAOYSA-N 361.764 1.825 0 40 FDAB COC(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 8867284 FWEMBSJBFIQBDA-UHFFFAOYSA-N 369.786 1.572 0 40 FDAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCO)c12)OC(C)(C)CC3 8879636 SHUPUTANQMKXJC-UHFFFAOYSA-N 361.394 1.692 0 40 FDAB biogenic Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 8924502 YDEXIBZOJKKOHY-UHFFFAOYSA-N 351.395 1.732 0 40 FDAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCn2c(CO)nnc2C1 72306210 HXMURGFFACTIER-UHFFFAOYSA-N 363.447 1.717 0 40 FDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(F)c1 95950358 TYEHSJKEYWQABA-UHFFFAOYSA-N 352.343 1.052 0 40 FDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H](c1ccccc1)n1cnnn1 72404551 PWWRRUCETWCDSM-KRWDZBQOSA-N 360.381 1.541 0 40 FDAB CCOC(=O)/C(=C\Nc1ccc(C)cc1)S(=O)(=O)N1CCOCC1 67340416 YORMOXORRKEFHI-NTCAYCPXSA-N 354.428 1.473 0 40 FDAB CCc1cccc(OCC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 39559507 PYWSISQAMJSANS-UHFFFAOYSA-N 368.393 1.552 0 40 FDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 23702840 ZAEADLICEYJHJA-UHFFFAOYSA-N 353.422 1.740 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)NC(=O)NC(C)C)c1C 31072955 DKWJYZQEFUGMGK-UHFFFAOYSA-N 370.475 1.200 0 40 FDAB CCOc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1OC 31186014 ZXXZGBFPRRHIGZ-UHFFFAOYSA-N 371.441 1.916 0 40 FDAB COC(=O)[C@H](C)N(C(=O)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641373 ZPHPTHUEDKGWNP-DZGCQCFKSA-N 353.440 1.196 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccnc1)c1cn(C)c2ccccc12 75149244 JTRIVXMYOPJFDS-SFHVURJKSA-N 365.437 1.931 0 40 FDAB CCCOc1cc(S(=O)(=O)NC[C@@H](C)O)ccc1Br 41097210 USSJAJWAMIRCLS-SECBINFHSA-N 352.250 1.897 0 40 FDAB COc1cccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1OC 224307643 PXGRTWHGHWBETK-UHFFFAOYSA-N 371.441 1.522 0 40 FDAB O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccccc2F)CC1 90609897 NEINQQFPZIHKEY-ZDUSSCGKSA-N 374.441 1.453 0 40 FDAB O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96065509 ZBRDREUCMKTARS-WDSOQIARSA-N 359.470 1.399 0 40 FDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1cccs1)C2 96050183 HBDJSMOUVWJIAR-IBGZPJMESA-N 370.478 1.983 0 40 FDAB CC(=O)N1CC2(CCN(Cc3nccs3)CC2)[C@@]2(CCN(C)C2=O)C1 97952878 IGCYSJJZIAILFQ-SFHVURJKSA-N 362.499 1.436 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)c2cccs2)C[C@]2(CC(=O)N(C)C2)C1 96036074 SCXZMENRTVZVKL-SFHVURJKSA-N 363.483 1.537 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(S(=O)(=O)c1ccccc1)C2 96226958 LGNABBKKRBXVGH-MJGOQNOKSA-N 371.462 1.799 0 40 FDAB Cc1nc2ccccc2n1CCNC(=O)Cn1nc2c(cc1=O)CCCC2 96345012 XODQALUYVVGHFK-UHFFFAOYSA-N 365.437 1.597 0 40 FDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O 514288794 DFJFGZDYIOQUBJ-CMKODMSKSA-N 374.506 1.710 0 40 FDAB biogenic,in-vitro CCCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158810 CVWDYPLCRYLGSV-UHFFFAOYSA-N 353.488 1.488 0 40 FDAB O=C([C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCOCC1 247877871 UPJRZXMGRTVFCL-INIZCTEOSA-N 370.409 1.028 0 40 FDAB O=C(C[C@@H]1CN(CCc2ccccc2)Cc2ccnn21)N1CCOCC1 247894979 ZNKXXFFUTMCNLJ-LJQANCHMSA-N 354.454 1.731 0 40 FDAB Cc1cc(C)n(CCCC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)n1 257260369 LCOAXXJVTLTDEG-LJQANCHMSA-N 357.458 1.433 0 40 FDAB O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc2c(c1)CCC2 257301563 RYZLILATQWLVJI-FQEVSTJZSA-N 352.438 1.727 0 40 FDAB CN1C[C@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260832413 JIAYBQJIQNMQFJ-PRHODGIISA-N 350.318 1.558 0 40 FDAB O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(=O)[nH]c1)CC2)c1ccoc1 96096379 BLJQWORVHVLWTD-UHFFFAOYSA-N 370.390 1.875 0 40 FDAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)CCS(=O)(=O)C1 575424081 RUIKLIDQEVHDLF-KRWDZBQOSA-N 355.456 1.786 0 40 FDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)o1 585111931 JLCHAOUONOHWIS-AWEZNQCLSA-N 350.444 1.423 0 40 FDAB COc1ccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cc1 585105541 ZFFOJJZDESPVCC-OAHLLOKOSA-N 354.472 1.225 0 40 FDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccncc2)CCO1 585285517 ZCNJGCBDHXJFCI-IBGZPJMESA-N 373.384 1.386 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccncc2O[C@H]2CCNC2)c(C)o1 685940635 QFPJMDAOPBYNMZ-AWEZNQCLSA-N 351.428 1.511 0 40 FDAB O=C(CNC(=O)c1ccc(F)c(F)c1)N[C@H]1CCN(c2ccccc2)C1=O 69211383 YFOPCOWSTFZCRP-INIZCTEOSA-N 373.359 1.616 0 40 FDAB COc1ccc(CN(C)C(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1F 32845406 LAGYOPOIJMVGBE-UHFFFAOYSA-N 372.404 1.672 0 40 FDAB Cn1nc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)ccc1=O 1776001190 DDZPKKPNGSEMJS-UHFFFAOYSA-N 369.425 1.379 0 40 FDAB O=C(CCc1ccccc1F)NC1CCN(CC(=O)N2CCCC2)CC1 56808765 JQWSIDDUHSLNND-UHFFFAOYSA-N 361.461 1.961 0 40 FDAB Cc1noc(C)c1CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1 1549159257 XFKILTARSNPBAB-IPMKNSEASA-N 369.425 1.468 0 40 FDAB OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 5882946 SQMQFRFGCSHRSM-CBZIJGRNSA-N 360.435 1.003 0 40 FDAB COCN(COC)c1nc(-c2ccccc2)nc(N(COC)COC)n1 5701184 YURHRQDCAMOWFM-UHFFFAOYSA-N 363.418 1.567 0 40 FDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1CCCC1 4996017 QZQQBPWKYJDPNW-GFCCVEGCSA-N 368.455 1.541 0 40 FDAB CC(C)[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)NC(N)=O 11379309 DZCKZJKSXXIMDP-LBPRGKRZSA-N 366.491 1.915 0 40 FDAB Cc1nc(CN2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)no1 1888842846 OKCUKSYNHDKZJY-PHIMTYICSA-N 354.336 1.755 0 40 FDAB CSc1nc(C)cc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)n1 1889103108 PEZAOQQIRPDMNW-GFCCVEGCSA-N 354.501 1.288 0 40 FDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 14417262 FRIGMKHHLZQKHL-SNVBAGLBSA-N 366.215 1.485 0 40 FDAB O=S(=O)(NC[C@@](O)(c1ccoc1)c1cccs1)c1cccnc1 244970207 HNZBHDBKZMDVGP-OAHLLOKOSA-N 350.421 1.951 0 40 FDAB CC[C@]1(C)Cc2c(sc3nc(SCC(N)=O)n(C)c(=O)c23)CO1 1237444 RYPWFSTYFIBQGW-OAHLLOKOSA-N 353.469 1.814 0 40 FDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941501 UNTWBSXAXPQFSZ-AWEZNQCLSA-N 362.382 1.214 0 40 FDAB Cc1nonc1C(=O)Cn1nnc2ccc(Br)cc2c1=O 15082963 DOOUZSJDNNTEBB-UHFFFAOYSA-N 350.132 1.128 0 40 FDAB COCCNC(=O)C1(Nc2nccs2)CCN(Cc2ccco2)CC1 2055745458 BAYAAGJQCVSFBW-UHFFFAOYSA-N 364.471 1.945 0 40 FDAB COc1cc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3ccccc3)C2)on1 2055745756 YASLBEPLPMSFLD-VNHYZAJKSA-N 357.366 1.551 0 40 FDAB O=C(NC1CCCC1)c1noc2c1C[C@@H](NCC(=O)N1CCCC1)CC2 2055745869 JMMLMZUYFDOBST-AWEZNQCLSA-N 360.458 1.416 0 40 FDAB Cc1cc(C)n([C@@H](CNC(=O)CN2C(=O)CCC2=O)c2ccsc2)n1 575614239 QDOKFGLPJCVKEH-AWEZNQCLSA-N 360.439 1.416 0 40 FDAB CC(C)[C@@H](N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144262 OPSSXZQBQSRMGN-GOSISDBHSA-N 357.458 1.081 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)c1cccc(F)c1 40087808 SLPGPGHBBYMGQC-HNNXBMFYSA-N 357.389 1.054 0 40 FDAB C[C@H](CS(=O)(=O)c1ccc(Br)cc1)N1CCN(C)CC1 20476638 SEXVJPXXOXXJCD-GFCCVEGCSA-N 361.305 1.859 0 40 FDAB CN1CCc2c(sc3c2c(NCc2cccnc2)nc2nnnn23)C1 20503738 FZPVEKXGYWHHLP-UHFFFAOYSA-N 352.427 1.729 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081262 XIXQELOGSXOJAO-LUVWLHFXSA-N 373.380 1.973 0 40 FDAB CCN(C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1 32831425 ZXFPODXSDFWYRY-UHFFFAOYSA-N 352.368 1.137 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103623012 NGASZZXGCLUKIO-ZIAGYGMSSA-N 358.394 1.549 0 40 FDAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CC(=O)N(c2ccccn2)C1 79097203 JOTNENZJJGYLEA-DLBZAZTESA-N 356.470 1.815 0 40 FDAB Cn1c(=O)n(CCC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc21 43282440 NMLDJVCHWUBDBV-HNNXBMFYSA-N 369.425 1.744 0 40 FDAB Cn1nnc(-c2cccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)c2)n1 79484577 MDJAPHXOMHHJJQ-CQSZACIVSA-N 364.413 1.522 0 40 FDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1 24904025 NDIZFXJZFNIPOZ-UHFFFAOYSA-N 361.365 1.401 0 40 FDAB O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3557906 NJQGCQICCAYNLP-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB C[C@@H]1C(=O)[C@@H](C)[C@@H]2N(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]32O4)[C@@H]1c1ccco1 4040870 LXIQMFKOABADKQ-XYLOUCLTSA-N 357.362 1.411 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)cc1 25419329 IHMRDCSPBGIAAC-INIZCTEOSA-N 365.499 1.312 0 40 FDAB C[C@@H]1CCC[C@@H](NC(=O)CNCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C 6530528 CSTHWQRVKRQYAP-CKEIUWERSA-N 367.515 1.407 0 40 FDAB COC(=O)c1sc(N)c(C(=O)OC)c1Cn1nnc(-c2ccccc2)n1 6790642 KLLYGNMETIGYIU-UHFFFAOYSA-N 373.394 1.605 0 40 FDAB O=C(c1ccccn1)N1CC[C@@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745127 FAKPHSFTAZQVLI-GFCCVEGCSA-N 363.377 1.975 0 40 FDAB CCN1CCC[C@@H]1CN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 57531451 IXBCUALKWVVOPR-QAPCUYQASA-N 354.454 1.930 0 40 FDAB CCN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 35829967 XWPYRBXBZULFKE-UHFFFAOYSA-N 368.684 1.824 0 40 FDAB O=C1NCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 58198418 UFKSJIVVSDGOHV-KRWDZBQOSA-N 374.418 1.320 0 40 FDAB CC(=O)N1CCC(NC(=O)CSc2nnc(OC(C)C)s2)CC1 58209804 GECCFYJFMCGSGL-UHFFFAOYSA-N 358.489 1.545 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 20451584 NIZFPSWUVLPWSV-CYBMUJFWSA-N 368.459 1.102 0 40 FDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)Nc1ccc(C(N)=O)cc1 12557565 CJEVXQVVXXBFKP-QWRGUYRKSA-N 368.393 1.944 0 40 FDAB CCOC(=O)Cc1csc(NC(=O)N2CCN([C@H](CC)CO)CC2)n1 84733785 WKDDJINQNTYCAL-CYBMUJFWSA-N 370.475 1.169 0 40 FDAB Cc1cc(NC(=O)CN(C)Cc2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 28965735 DNLZIHSJWBXGPS-ZDUSSCGKSA-N 366.443 1.215 0 40 FDAB Cc1cc(NC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n(C)n1 45975316 HISVYXARLMZFGL-UHFFFAOYSA-N 370.457 1.438 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1c1ncnc2c1c(Br)nn2C 60378698 FPRSZCUKUWZRMZ-MRVPVSSYSA-N 353.224 1.183 0 40 FDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc(F)c1 12787523 MJZVKPHPVLUFGI-NFAWXSAZSA-N 369.418 1.172 0 40 FDAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(OC)cc1Cl 102206747 LHMHDOPIYYXELT-NUZBWSBOSA-N 353.758 1.950 0 40 FDAB C[C@@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)NC(C)(C)C 12881049 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BPRMBPGIKCRKSG-LBPRGKRZSA-N 354.366 1.447 0 40 FDAB Cc1nc(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cs1 5366922 GAXCYNWKAJSBQW-UHFFFAOYSA-N 365.436 1.624 0 40 FDAB COc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)cc(OC)c1 14140585 BLAICAQSRTYMNZ-UHFFFAOYSA-N 357.414 1.255 0 40 FDAB COc1ccc(N2C(=O)C[C@@H](N(CCO)Cc3ccccc3)C2=O)cc1 4915391 FXHZKZLQWRFUKK-GOSISDBHSA-N 354.406 1.822 0 40 FDAB CCc1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 4992821 GYJAMKDNQXLWAO-GFCCVEGCSA-N 360.439 1.199 0 40 FDAB CN(CCS(=O)(=O)CCC(N)=O)Cc1ccc(C(F)(F)F)cc1 16623906 NLVFIAVTLNRBEF-UHFFFAOYSA-N 352.378 1.427 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 8211901 VCRVESYZGFGTTF-HNNXBMFYSA-N 374.393 1.389 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 8209556 ARRKFLXBNMNTTH-UHFFFAOYSA-N 374.466 1.747 0 40 FDAB CN1CC[C@H](C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)CC1=O 81810494 KANVGKBVCZYNDM-SFHVURJKSA-N 371.481 1.549 0 40 FDAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(C(C)C)c1 97014003 TWNODGYVVMCOHN-ZDUSSCGKSA-N 352.464 1.992 0 40 FDAB Cc1nsc(N2CCN(C(=O)c3ccccc3CCN(C)C)CC2)n1 95939796 CXPLWTPTSGPEBN-UHFFFAOYSA-N 359.499 1.913 0 40 FDAB CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)OC[C@@H]1COc2ccccc2O1 89942187 XZGINQSKSFHCLZ-HUBLWGQQSA-N 357.428 1.334 0 40 FDAB CCOC(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1CCOC 22637717 VQHVMJVAGOLBTN-UHFFFAOYSA-N 351.428 1.710 0 40 FDAB O=S(=O)(N1CC2(C1)OCC[C@H]2COCc1ccccn1)C(F)(F)F 306139599 TVPFGYZOAHVDAD-NSHDSACASA-N 366.361 1.539 0 40 FDAB COC(=O)c1cn(CC(=O)Nc2cccc(C(=O)O)c2)cc2c(O)nnc1-2 524732715 WODDDJAYUOMZGM-UHFFFAOYSA-N 370.321 1.212 0 40 FDAB O=C(N[C@H](C(=O)O)[C@@H](O)c1ccc2c(c1)OCO2)OCc1ccccc1 39475097 PHFXRWNRHDASFI-HOTGVXAUSA-N 359.334 1.828 0 40 FDAB O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccc(F)cc1 77264470 CLJQQZFWRMHMLQ-OAGGEKHMSA-N 350.415 1.535 0 40 FDAB biogenic,in-vitro CN1CCN(c2ncnc(C(F)F)c2I)CC1 217589908 LMBYKVJTAJWWSM-UHFFFAOYSA-N 354.142 1.771 0 40 FDAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3COC3)CC2)cs1 225423463 ONGANXMCWPUTTJ-CQSZACIVSA-N 367.515 1.436 0 40 FDAB biogenic,in-vitro Cc1cnc2c(S(=O)(=O)NC[C@H]3CCS(=O)(=O)C3)cccc2c1 44789949 CMEKIMSOQPCVLE-GFCCVEGCSA-N 354.453 1.256 0 40 FDAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 96225641 KEAJMPWKLODTCY-DNVCBOLYSA-N 372.425 1.735 0 40 FDAB COc1cccc(CN2CC[C@]3(CCN(S(=O)(=O)C4CC4)C3)C2=O)c1 96050695 AQZUHUZQAHCHGV-GOSISDBHSA-N 364.467 1.612 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 583356385 CWFRGKWWNOKYIG-OAHLLOKOSA-N 363.425 1.765 0 40 FDAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(S(C)(=O)=O)C[C@H]21 514290051 RKCRISFHYPDXHH-WBVHZDCISA-N 373.434 1.225 0 40 FDAB biogenic,in-vitro CC(C)(C)[C@@H](NC(=N)O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 330419636 XCVMDIXSQZQVAC-ZDUSSCGKSA-N 350.419 1.497 0 40 FDAB COC[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)CN1c1ncccn1 96051823 FWLIMGMLZAUYSC-MRXNPFEDSA-N 368.441 1.414 0 40 FDAB COCCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)C[C@H]1COC 96206543 RTKZGABDDSPRBE-HNNXBMFYSA-N 350.463 1.010 0 40 FDAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)C1 247749696 RQCNORRYIIJULM-KWFQQIKYSA-N 368.433 1.771 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230628 VLEIQZZQYNRKKM-UYAYXHRUSA-N 364.829 1.927 0 40 FDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCCC[C@H]1C 245228199 JUGPPZMJVOASHL-WWGRRREGSA-N 372.421 1.909 0 40 FDAB COCC(=O)N1CCC[C@H](c2cc(-c3cncc(C(=O)O)c3)nc(C)n2)C1 257292343 QLBDHMLGYIFTOG-ZDUSSCGKSA-N 370.409 1.898 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(N3CCCC3)c2)C[C@H]1C(=O)N(C)C 257246020 ISBQGTNBLMWKKO-SFHVURJKSA-N 372.469 1.048 0 40 FDAB O=C(CC1CCOCC1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257257300 KOYOBETZXQJIEF-QZTJIDSGSA-N 358.438 1.442 0 40 FDAB O=C(O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(F)c1 262374985 KOYQRRYRVPPCGM-ZDUSSCGKSA-N 364.373 1.235 0 40 FDAB C[C@@H]1CN(Cc2cccn(C(F)F)c2=O)C[C@H]1C(=O)N1CCOCC1 639300281 HHADQNKASBBXAB-TZMCWYRMSA-N 355.385 1.170 0 40 FDAB C[C@H]1CCN(S(=O)(=O)CC[C@H]2CCc3ccccc32)CCS1(=O)=O 641459204 VGXUQLLZGGMBGR-GOEBONIOSA-N 371.524 1.945 0 40 FDAB NC(=O)C[C@@]1(O)CCCN(C(=O)C2(c3c(F)cccc3F)CCC2)C1 643995868 QKTVYTIBQZPXEI-KRWDZBQOSA-N 352.381 1.615 0 40 FDAB C[C@H](O)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1158328549 GIMYJTJRCKNADR-BLLLJJGKSA-N 371.275 1.182 0 40 FDAB COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C[C@H](O)CO 77378592 HAALGDNSMHEONB-LNLFQRSKSA-N 368.433 1.505 0 40 FDAB CN1c2ccc(NC(=O)COc3ccccc3F)cc2N(C)S1(=O)=O 390826434 KXLURNFLUZTENM-UHFFFAOYSA-N 365.386 1.974 0 40 FDAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1cc(C2CC2)[nH]n1 390830346 KKTXOUNKXFMJOI-SECBINFHSA-N 354.336 1.933 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093910 PCHWJVIDRAIWMC-AWEZNQCLSA-N 354.447 1.293 0 40 FDAB O=C(c1cnc2ccccc2n1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 585603521 YMMPQXQOBUKLFQ-UHFFFAOYSA-N 361.405 1.836 0 40 FDAB COc1cc(NC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)cc(OC)c1 36383830 AEPWOKZYRHIWJM-ZDUSSCGKSA-N 361.442 1.585 0 40 FDAB CCOC(=O)N1CCN(C(=O)C2CN(C(=O)c3cccs3)C2)CC1 62022593 UXAHCBKOSVBJEB-UHFFFAOYSA-N 351.428 1.121 0 40 FDAB CC(C)[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nnc2ccccc2c1=O 5267659 LGDSNBRFWFUQGO-INIZCTEOSA-N 365.393 1.726 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 5543762 GOQAODGEMIJTDA-QIIPPGSGSA-N 362.382 1.448 0 40 FDAB O=C(O)c1ccc(C(=O)[C@@H]2C[C@H](C(=O)O)CC[C@@H]2S(=O)(=O)O)cc1 5734708 IGMCVAYPFLKIAR-UTUOFQBUSA-N 356.352 1.325 0 40 FDAB CC1(C)O[C@H]2C(COCc3ccccc3)=C[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 5742132 JBSVSDSEKIKIMI-SZMVWBNQSA-N 370.405 1.755 0 40 FDAB COc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(C)n1 12224393 WJTHFCSYETYHTK-UHFFFAOYSA-N 366.418 1.444 0 40 FDAB C[C@H](C(=O)NCCCN(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13675578 HWQHKFSIZACQRZ-GFCCVEGCSA-N 361.895 1.562 0 40 FDAB COCCNC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 19593449 HYGGVRPOOKVUAH-VQIMIIECSA-N 363.433 1.841 0 40 FDAB Cc1cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ncc1Br 624423079 SDLCRRQUJCNYIT-CHWSQXEVSA-N 353.220 1.515 0 40 FDAB Cc1cc(OC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(C)n1 390829202 XDIGBFQAMDXSGO-UHFFFAOYSA-N 366.443 1.930 0 40 FDAB O=C(NC1CCOCC1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831357 RKHSEEWWKRUDEK-UHFFFAOYSA-N 366.483 1.954 0 40 FDAB Cc1cccc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)c1C 6086922 QQYHQRVLSNHRCY-UHFFFAOYSA-N 364.405 1.768 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 10843440 FDGKVBKVRGDQDZ-UHFFFAOYSA-N 372.425 1.545 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(S(=O)(=O)c4c(C)noc4C)C[C@H]3C2)n1 1888860030 RHQQWZIKBNZNDF-ZIAGYGMSSA-N 363.443 1.147 0 40 FDAB Cn1c(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)nc2ccccc2c1=O 1888941685 QDIFMTPKCSNIEW-HOTGVXAUSA-N 374.400 1.559 0 40 FDAB CCOc1cc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)ccc1O 2037971249 IWACEPSKZIFQCB-KJNZLNQQSA-N 373.449 1.301 0 40 FDAB Cn1cc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)cn1 2037985087 XMBNSHWTIDEKOZ-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565522913 BHQHWQIKLQIZCD-GJZGRUSLSA-N 363.421 1.988 0 40 FDAB C[C@@]1(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)CC=CCC1 1565545758 NYNFMBXNYIUAQM-HXUWFJFHSA-N 356.470 1.987 0 40 FDAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NC3CC3)nnc12 6803169 NGEMSWCMXIAVGB-UHFFFAOYSA-N 353.426 1.911 0 40 FDAB COC[C@@H]1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)N1S(C)(=O)=O 2055745969 VVCQSKJLFZNAJB-AWEZNQCLSA-N 355.460 1.060 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NCCc1ccc(N(C)C)cc1 23004081 AOUVOBNLUQMILN-UHFFFAOYSA-N 355.438 1.736 0 40 FDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@@H]1CCCCC1=O 102078106 JXFRXIAPADOZKB-GFCCVEGCSA-N 365.382 1.155 0 40 FDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)Nc1ccc(F)cc1 32777659 UYDIIMRTALBIKA-SECBINFHSA-N 371.415 1.842 0 40 FDAB CN(C(=O)C[S@](=O)Cc1nnnn1-c1ccccc1)C1CCCCC1 32801493 HABXRVLQWVSYQT-VWLOTQADSA-N 361.471 1.702 0 40 FDAB COc1ccccc1OCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 32931475 KHCNYLVONFZRKZ-LJQANCHMSA-N 369.377 1.767 0 40 FDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103233193 BCTGQIJXOQQSRZ-UNEDIJHXSA-N 360.454 1.505 0 40 FDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C[C@@H](C)O1 22611928 WFXYHELBTODMLK-FRRDWIJNSA-N 363.483 1.958 0 40 FDAB COc1ccc([C@H](CNC(=O)c2cnc(C)cn2)N2CCOCC2)cc1 22686265 KCPNJKYIIUHQTG-SFHVURJKSA-N 356.426 1.597 0 40 FDAB COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1 1330756 XWDRLCJIZBKOED-UHFFFAOYSA-N 353.382 1.213 0 40 FDAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CCO1 25107452 VWCKFRLKTRUNMN-AWEZNQCLSA-N 357.410 1.869 0 40 FDAB CCOC(=O)[C@@H](N)CSCCCCSC[C@H](N)C(=O)OCC 4783082 RITZJZRVOBCNDH-RYUDHWBXSA-N 352.522 1.014 0 40 FDAB COC(=O)C(=O)[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)OC 6384962 OLOMZBJQFUNFBA-MRVPVSSYSA-N 362.165 1.853 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCOc1ccc2c(c1)CCC2 56009659 KVCXPBUBVJEXRV-UHFFFAOYSA-N 363.421 1.889 0 40 FDAB Cc1cnc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cn1 7814077 DSMDUKNHAMVUDW-UHFFFAOYSA-N 374.445 1.176 0 40 FDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccnn1C1CCCC1 35380487 DPNHDLHXNNCFHR-UHFFFAOYSA-N 355.446 1.549 0 40 FDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57478724 DDTIRQBWNBQDQD-UHFFFAOYSA-N 361.398 1.700 0 40 FDAB Cn1c(=O)c2c([nH]c(=O)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 10127566 SEQLHOKZQOSFII-UHFFFAOYSA-N 355.181 1.082 0 40 FDAB Cc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1N1CCCC1 10193189 JMEAGPQGGJCIDL-UHFFFAOYSA-N 366.425 1.677 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)CNC(=O)c1ccc(Br)o1 58192665 PKXRYJSRGTWBPV-VIFPVBQESA-N 374.235 1.193 0 40 FDAB CC(C)CCNC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 26210180 IGLNNOITYLYZRK-UHFFFAOYSA-N 351.428 1.244 0 40 FDAB O=C(CNC(=O)c1ccc(F)c(F)c1)NCCN1CCc2ccccc2C1 58406693 DQYPWWRWGGQHSX-UHFFFAOYSA-N 373.403 1.869 0 40 FDAB COCCS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)CN(C)C)cc1 72297875 CAALPFNLMGHUNT-CQSZACIVSA-N 370.515 1.813 0 40 FDAB CCn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 100121090 BSODFVVSRADHLY-CRAIPNDOSA-N 354.458 1.791 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OC)cc1 101509238 KWCBKJHLPZHEKH-JTOWHCCKSA-N 350.367 1.081 0 40 FDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC)c(OC)c2)C1 20017621 JINCCSSIFDISMT-AWEZNQCLSA-N 370.471 1.382 0 40 FDAB CCCCNS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904831 HRAOHNDVEJLDMZ-NSHDSACASA-N 360.457 1.078 0 40 FDAB biogenic CCN(CC)C(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28210067 CKGUBPMMYUZCEL-AWEZNQCLSA-N 368.455 1.552 0 40 FDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1C 102201820 OYSONYPLTCCTHY-DGVSKKNDSA-N 358.394 1.264 0 40 FDAB COc1ccc(OC[C@@H](O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 12901697 KUBIHSKQJYMNPN-MAUKXSAKSA-N 370.405 1.598 0 40 FDAB Cn1c(SCC(=O)Nc2ccccc2C(N)=O)nc2ccsc2c1=O 9114415 HXMBKLMIYQFPFR-UHFFFAOYSA-N 374.447 1.825 0 40 FDAB CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 9114744 ZBFBMMKXLKLYJP-ZIAGYGMSSA-N 355.456 1.807 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnn(C)c1-n1cccc1 71333998 GXFNZASFUKNSRW-MRXNPFEDSA-N 352.394 1.725 0 40 FDAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccc2c(c1)OCO2 13736052 CWZRLHXCMJZQNH-CYBMUJFWSA-N 350.334 1.941 0 40 FDAB C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)C[C@@H](C)O1 14137896 VFKFRLMLGBMSKY-AGKHESDQSA-N 353.369 1.799 0 40 FDAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5689839 MHXCAOJEGRRMRX-SNVBAGLBSA-N 363.395 1.502 0 40 FDAB NC(=O)NCc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 67263506 WYXJOVMIIVHPJS-INIZCTEOSA-N 366.421 1.842 0 40 FDAB CCN1CCN(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1 22585840 QXOXCPWGXUZQIP-GOSISDBHSA-N 374.485 1.171 0 40 FDAB CN1CCO[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 81358654 YOJRYCPWLJBRDL-SFHVURJKSA-N 365.905 1.999 0 40 FDAB C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CC1=O 81481695 FYKHXLFIZGUCFR-ATZDWAIDSA-N 370.497 1.173 0 40 FDAB CN(C)S(=O)(=O)c1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1 8328135 NVEGXNXRNHTOFJ-UHFFFAOYSA-N 362.238 1.849 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCCc1ccccc1 8937883 YAKBQUKDEZANTQ-UHFFFAOYSA-N 351.406 1.829 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 8935940 BPJURBVSFIMAJY-UHFFFAOYSA-N 358.398 1.239 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 19432050 WPJQQPWQPWPRIQ-NSHDSACASA-N 361.398 1.876 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cn2)c1=O 26861174 GWURZSGLFGDVTR-UHFFFAOYSA-N 358.785 1.870 0 40 FDAB O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(N2CCCCC2)c1 95446525 QHXXWRIFDIXNQT-SFHVURJKSA-N 362.474 1.492 0 40 FDAB O=C(NC[C@H]1CCOC1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 95460711 YSFPPUJXFJTQHU-SNVBAGLBSA-N 357.407 1.424 0 40 FDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O 95943234 RBIDUIPRTPKGNJ-QAPCUYQASA-N 362.433 1.945 0 40 FDAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCCC1)=C2C 20063904 MWNAVSILWCDUHM-UHFFFAOYSA-N 366.439 1.837 0 40 FDAB O=C(CN1CCCCCCC1=O)NCCCN1C(=O)COc2ccccc21 76022315 FBTYCNXDAXZWJG-UHFFFAOYSA-N 373.453 1.711 0 40 FDAB CNC(=O)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 27401027 VYKJRAUVTVJFSV-UHFFFAOYSA-N 350.378 1.474 0 40 FDAB O=C(NCCNC(=O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1 22470295 LCYAOQBEKKJJKY-UHFFFAOYSA-N 354.341 1.222 0 40 FDAB COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1Cl 23142125 QHFAGTPLAKYODZ-UHFFFAOYSA-N 351.790 1.615 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306129541 IGPNBEYEJVLKCM-AWEZNQCLSA-N 352.456 1.666 0 40 FDAB Cn1cnc(S(=O)(=O)NC[C@H](Cc2ccccc2Cl)C(=O)O)c1 547549306 GRGLZDSGMQYCLJ-NSHDSACASA-N 357.819 1.295 0 40 FDAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCN2CCOCC2)CC1 408706883 GVXMVEJRRKATDW-UHFFFAOYSA-N 353.507 1.546 0 40 FDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1 521394604 GIKVDQRLRPYZBK-BTMYIEMMSA-N 351.472 1.194 0 40 FDAB COCC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(C)C)[C@@H]2CO)cc1 72321142 HWIHAHBRQGXSLC-CRAIPNDOSA-N 350.415 1.188 0 40 FDAB biogenic,in-vitro COc1ccc(C(=O)COc2ccc(S(N)(=O)=O)cc2)c(OC)c1 32831848 HDRHNQQEMISQSW-UHFFFAOYSA-N 351.380 1.613 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)CNc2cccc(O)c2)C1 136784798 NIESREDNVAQROX-HDMKZQKVSA-N 355.438 1.446 0 40 FDAB biogenic CC(C)NC(=O)c1cnn2c1C[C@@H](CNCc1cnc3cnccn13)CC2 527197157 ZZZDQGSAGUKVBS-AWEZNQCLSA-N 367.457 1.416 0 40 FDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCc2ccccn2)c1 44918997 KMRDNWDTLZBLNB-UHFFFAOYSA-N 363.377 1.301 0 40 FDAB CS(=O)(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514289010 MBGLUVJEDRDBQG-QWRGUYRKSA-N 369.418 1.617 0 40 FDAB biogenic,in-vitro CN(C)c1ccc(N2CCC[C@@]3(C2)CN(c2cnccn2)CCO3)nc1 96226444 ZCGGVKJAZIJRGJ-LJQANCHMSA-N 354.458 1.813 0 40 FDAB CCCc1cncnc1N1C[C@H]2CN(C3CCOCC3)C[C@@]2(C(=O)O)C1 96165203 XGMATGMWUVWQPG-DNVCBOLYSA-N 360.458 1.431 0 40 FDAB O=C(c1cccnc1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96091100 KXFICQINPFBXSV-SFHVURJKSA-N 358.467 1.903 0 40 FDAB O=C(CCn1cnnn1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 257246620 IUXNXSWHPTZBGM-QGZVFWFLSA-N 355.446 1.418 0 40 FDAB N[C@]1(C(=O)O)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516526 TWTUOGGRWFLNNV-BFYDXBDKSA-N 361.375 1.137 0 40 FDAB O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1noc2c1CCCC2 257301035 RWRUCOLYDQLXRD-GOSISDBHSA-N 357.414 1.105 0 40 FDAB Cc1nc([C@H](C2CCNCC2)n2cc(C(=O)O)ccc2=O)sc1CO 257286290 PLBCIEBWHVURNK-HNNXBMFYSA-N 363.439 1.393 0 40 FDAB CCN1C(=O)CCc2cc(S(=O)(=O)NCCC(=O)NC(C)C)ccc21 252508876 XWOKKKYYGDALMS-UHFFFAOYSA-N 367.471 1.179 0 40 FDAB COc1cccc(CN2CC[C@@](C)(O)[C@H](n3cc(C)c(O)nc3=O)C2)c1 257263670 LQYREUKPKPGEFK-VQIMIIECSA-N 359.426 1.464 0 40 FDAB COC(=O)c1ccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)cc1 253534968 XPUXFHURHDZMDE-UHFFFAOYSA-N 370.409 1.676 0 40 FDAB CCOC(=O)[C@@]1(NS(=O)(=O)c2cscn2)CCc2ccccc21 592030815 ZQPMVAKXOJZOOL-OAHLLOKOSA-N 352.437 1.826 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(C)c(Br)c1 643941781 OJUXBIXDAJKWQA-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB COc1ccc(Cn2nnc(C(=O)NCc3cnc(C)[nH]c3=N)c2C)cc1 652113484 RAAMXEPCRXNPJM-UHFFFAOYSA-N 367.413 1.084 0 40 FDAB CCn1cc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2nccn2C)nc1C 659999648 VMZWWEHBWOHIBT-GXTWGEPZSA-N 353.448 1.001 0 40 FDAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2)C1 96103422 CVYHINJTBQXBBF-CQSZACIVSA-N 352.456 1.231 0 40 FDAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(C(=O)NC(C)(C)C)C[C@H]32)CC1 1615590276 KLLXGZZICJBAFD-CABCVRRESA-N 352.479 1.872 0 40 FDAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)o1 90613472 AIAILTWYNPJTNC-OAHLLOKOSA-N 374.393 1.481 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1F 96365275 OFBCCOBFIMAYEA-LLVKDONJSA-N 351.421 1.032 0 40 FDAB CC(=O)N1CCC[C@H](NC(=O)c2cccnn2)[C@@H]1Cc1ccc(F)cc1 585268883 CKDHGDWQRBDTRI-WMZOPIPTSA-N 356.401 1.968 0 40 FDAB O=C(NCCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096027 NFSDXTXLZZSIAT-MRXNPFEDSA-N 358.467 1.987 0 40 FDAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3C)[C@H]2O)cc1 952844830 MICVCYILVBITQF-OVYGPGRDSA-N 374.397 1.048 0 40 FDAB biogenic,in-vitro C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 37191899 YWRBQXPGWIOXIM-HNNXBMFYSA-N 365.499 1.440 0 40 FDAB CC(=O)N1CC2(C1)[C@H](C(=O)N1CCCC1)c1ccccc1C(=O)N2C(C)C 1549174381 AQVKPEDOFWLIAZ-SFHVURJKSA-N 369.465 1.858 0 40 FDAB CC(C)COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 11692404 UXFCWXSDZQPLLS-UHFFFAOYSA-N 369.425 1.620 0 40 FDAB CCOCCCNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146266 QXSRBDFFKYKEBV-INIZCTEOSA-N 359.426 1.181 0 40 FDAB CN(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 13672239 MFQOUEXQIACBIT-UHFFFAOYSA-N 373.906 1.806 0 40 FDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1 19670493 VLLHDVSGXKGTFX-HNNXBMFYSA-N 362.449 1.393 0 40 FDAB CCN(CC)C(=O)CN1CCN(c2cc(C)nc([C@H]3CCNC3)c2)CC1 19739117 CHUWQJJRESBDJU-KRWDZBQOSA-N 359.518 1.457 0 40 FDAB CCn1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19748084 RNEAIZFZNONONE-LBPRGKRZSA-N 366.418 1.691 0 40 FDAB CO[C@@H]1CN(C(=O)Cn2cccn2)C[C@]12C[C@@H](c1cccc(F)c1)CO2 643585957 HYPJXEKSAGTRDC-SZVBFZGTSA-N 359.401 1.822 0 40 FDAB COc1ccccc1N1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1 575606085 CXSKBKNNICVZIM-UHFFFAOYSA-N 368.437 1.478 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 6449933 YPSITKHYNUPYGK-CQSZACIVSA-N 354.428 1.133 0 40 FDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC5CCOCC5)C[C@H]4C3)n1)CCC2 1888875582 IPFSTTVBYYWUJE-GASCZTMLSA-N 371.485 1.530 0 40 FDAB COc1ccc(CCNC(=O)NCC2(O)CSCCSC2)cc1 1888881786 UTFMQNNEBCTTKO-UHFFFAOYSA-N 356.513 1.748 0 40 FDAB Cc1ncnc(C(=O)N2C[C@@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)c1C 1565555674 NARBEQSMWMTJDH-HOTGVXAUSA-N 364.453 1.896 0 40 FDAB C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 1565553391 XAZICDMUHVYQJJ-PTSWNOGYSA-N 364.486 1.604 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cc[nH]c2)C1 2055718360 HYQWKSKENUPNMA-BRWVUGGUSA-N 354.410 1.346 0 40 FDAB Cn1nccc1C(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745733 XDNPKHGNOBIHHN-UHFFFAOYSA-N 374.470 1.242 0 40 FDAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 38671326 MMEWVNKWAJGWET-CQSZACIVSA-N 358.398 1.590 0 40 FDAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc4nn[nH]c4c3)CC2)n1 585503785 XTNOHIYRGAJEAD-UHFFFAOYSA-N 352.398 1.375 0 40 FDAB CN(C(=O)C1CCOCC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 585595019 ZWMQYAQGZUNRPX-UHFFFAOYSA-N 372.473 1.495 0 40 FDAB CN(C(=O)c1cscn1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593664 WSRNOHWUOSCRTH-UHFFFAOYSA-N 355.427 1.419 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCCC3)c1)CS2 40050180 OIJIDDPBCJPEQE-KSSFIOAISA-N 360.483 1.752 0 40 FDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 101013109 IEHQBNFJYIHNLR-STQMWFEESA-N 361.361 1.540 0 40 FDAB Cc1cc(C)n2nc(CCCNC(=O)CNC(=O)CC(C)(C)C)cc2n1 54086259 AOJYWSFRUCHEOP-UHFFFAOYSA-N 359.474 1.947 0 40 FDAB COc1cccc(CNC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)c1 78877950 HTRPMUWONZZQAE-OAHLLOKOSA-N 350.415 1.947 0 40 FDAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)C4CC4)CC3)cccc2c1 24755043 QMHNCEIRUNAXIC-UHFFFAOYSA-N 359.451 1.786 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nccnc1C(=O)O 4324975 ITVMMBHCMQFLKO-UHFFFAOYSA-N 361.310 1.231 0 40 FDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 25209414 YHBFAIWXYLKHMF-UHFFFAOYSA-N 373.478 1.503 0 40 FDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)NC1CCCC1 6678727 KQDIYMMDXVTSRW-UHFFFAOYSA-N 373.434 1.925 0 40 FDAB CC(=O)NCCc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccco2)cc1 10030934 OCOHECUBEMQAHL-CYBMUJFWSA-N 358.394 1.992 0 40 FDAB COC(=O)CNC(=O)c1sc(N(Cc2ccccc2)C(C)=O)nc1C 44922159 UNCFLAXSXUZVES-UHFFFAOYSA-N 361.423 1.907 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(N2CCOCC2)nc1 10719213 MAZLUOHKUZZXQI-UHFFFAOYSA-N 368.393 1.143 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc[n+]2[O-])cc1 36390558 OJCSVCJGKQXHQV-UHFFFAOYSA-N 363.439 1.281 0 40 FDAB COc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 10997449 KWDBLFHYUGPHNG-WDEREUQCSA-N 371.411 1.009 0 40 FDAB CCN1CCN(c2ccc(NC(=O)C3=NN(C)C(=O)CC3)c(C)c2)CC1 29376425 UQUCUCFDPNRALN-UHFFFAOYSA-N 357.458 1.684 0 40 FDAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 46572918 ANHZTLDSNZKZHI-LLVKDONJSA-N 363.439 1.970 0 40 FDAB C[C@H](C(=O)NC1CCN(C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 47246480 DWDDHPSCPBWMSB-GFCCVEGCSA-N 354.447 1.731 0 40 FDAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 113938622 NOBVZNQNOJKEPT-UHFFFAOYSA-N 361.423 1.824 0 40 FDAB O=C(Nc1cc(F)cc(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12782750 KDNGANBPGSXDDG-LBPRGKRZSA-N 371.365 1.069 0 40 FDAB Cn1ccnc1COc1ccc(C(=O)NCCNc2cnccn2)cc1 48309778 YSHMSNPUTISDPW-UHFFFAOYSA-N 352.398 1.631 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 23249086 NJYRQFUWOWWYCC-GOSISDBHSA-N 372.513 1.952 0 40 FDAB COc1cccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 13148655 GGDXIHVXUFDGFN-GJZGRUSLSA-N 374.393 1.352 0 40 FDAB CCn1nnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13406919 PVYSYXAKFOGAIL-ZDUSSCGKSA-N 374.426 1.079 0 40 FDAB CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 4304016 RUCQWWFOOHLMCY-NSHDSACASA-N 355.398 1.610 0 40 FDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 5252650 ZOXOUKUFTJTUIW-UHFFFAOYSA-N 359.407 1.732 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC(=O)NCCc1ccccc1 65521434 NOKUVGSXOJJENZ-LIRRHRJNSA-N 354.406 1.690 0 40 FDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc1 5324693 ZDYUIVQGCFTLLG-NSHDSACASA-N 351.366 1.950 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c1 14119134 JRQVJRGVSPXCIT-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB COc1cccc(CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c1 9384630 ARQAXVARGLENQW-UHFFFAOYSA-N 353.378 1.677 0 40 FDAB CS(=O)(=O)N(CC(=O)NC1CC1)Cc1ccc(Br)cc1 408618814 GARXUBPPYWRXBB-UHFFFAOYSA-N 361.261 1.489 0 40 FDAB CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 15106331 BHBORVAXPXKDDG-SFHVURJKSA-N 373.453 1.841 0 40 FDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CCCC3)C2=O)cc1 9419273 OGMHXZGIUFPNIJ-INIZCTEOSA-N 359.426 1.955 0 40 FDAB CCOc1ccc(OCCNC(=O)Cn2ncc(=O)c3ccccc32)cc1 7245801 LSENOHJCLDKOEY-UHFFFAOYSA-N 367.405 1.990 0 40 FDAB COc1ccc(-n2nnnc2SCc2nnnn2-c2ccccc2)cc1 8314876 MMFRNYFLTYGBGO-UHFFFAOYSA-N 366.410 1.939 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccccc2)NC(=O)N[C@@H]1C 8346145 UKAGJWMNBVWGAB-GFCCVEGCSA-N 374.393 1.711 0 40 FDAB Cc1sc2ncn(NC(=O)COC(=O)c3ccccc3O)c(=O)c2c1C 8525723 OEUQWDZUBZOALH-UHFFFAOYSA-N 373.390 1.708 0 40 FDAB CC(C)OC1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 72271299 XYVIGGJOGVWLOC-UHFFFAOYSA-N 363.414 1.953 0 40 FDAB O=C(CN1CC(=O)Nc2ccccc21)Nc1ccccc1C(=O)NC1CC1 9613927 MNPFVXJJVRUUFU-UHFFFAOYSA-N 364.405 1.976 0 40 FDAB Nc1nc(COC(=O)c2ccc3c(c2)OCC(=O)N3)nc2ccccc12 18338892 LNXSRJBBYYPLLC-UHFFFAOYSA-N 350.334 1.900 0 40 FDAB Cc1nc2ncnn2c(O)c1CCC(=O)NCCc1c[nH]c2ccccc12 9610368 LHWCGIBLAUBPDZ-UHFFFAOYSA-N 364.409 1.911 0 40 FDAB CN(C)c1nc(N)nc(CSCC(=O)N2CCc3ccccc3C2)n1 9834579 KORMAECPGXACIP-UHFFFAOYSA-N 358.471 1.338 0 40 FDAB CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2I)C1 72343548 DXKSKAJMWXFOJD-SNVBAGLBSA-N 374.226 1.873 0 40 FDAB O=C(CC1CCCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9987678 BJHUNTFJDNWGQC-UHFFFAOYSA-N 372.512 1.966 0 40 FDAB COc1ccc(C)cc1CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 9987964 SJSPBHIAUGWNHC-UHFFFAOYSA-N 370.405 1.821 0 40 FDAB C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C(=O)N1c1ccccc1 89920106 HEWLOBAUKYCMNA-MNEFBYGVSA-N 371.481 1.940 0 40 FDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCCSc1ccccc1 26054799 ROMHJBHQPWXGNG-MRXNPFEDSA-N 365.480 1.322 0 40 FDAB N[C@@]1(C(=O)O)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218160150 TWTUOGGRWFLNNV-VYDXJSESSA-N 361.375 1.137 0 40 FDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccc(F)cc1 28560233 RUWVPDTVLADMPI-UHFFFAOYSA-N 356.313 1.341 0 40 FDAB Cc1cc2c(c(=O)n1C)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 524730627 QAWWXXMGXYHRNY-ZDUSSCGKSA-N 350.374 1.987 0 40 FDAB biogenic C[C@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326620 XWEJOPYXXXHMOO-CWTRNNRKSA-N 357.410 1.185 0 40 FDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC 218022501 BDJDHCSBAQMAGF-KGLIPLIRSA-N 354.424 1.700 0 40 FDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(N)CN)cc1 218169004 PTPFNGVQICZZJF-BZSNNMDCSA-N 360.435 1.320 0 40 FDAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCCCC2)C3)C[C@H](C)O1 72389519 AUGPDMMKFUNFBT-KBPBESRZSA-N 374.485 1.849 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)cc1 36724654 QAMQSYDSTKFZGR-UHFFFAOYSA-N 368.455 1.508 0 40 FDAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)n1 72203526 MWXNLCZXFUJQRX-SNVBAGLBSA-N 354.432 1.709 0 40 FDAB CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 48339171 FIOBPUFCKPGORH-UHFFFAOYSA-N 365.499 1.270 0 40 FDAB COc1ncccc1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225503058 IMXUQQFRVULFJW-CYBMUJFWSA-N 357.414 1.630 0 40 FDAB O=C(NCCc1nnc2n1CCCCC2)c1cnn(-c2ccccc2)n1 48308972 OHCXJDHUHMQDPS-UHFFFAOYSA-N 351.414 1.558 0 40 FDAB COc1ccc(CCN2C(=O)C(=O)N(C[C@H]3CC[C@H](CN)CC3)C2=O)cc1 571634113 PWOXIOKIDVJVGY-WKILWMFISA-N 373.453 1.794 0 40 FDAB O=C(c1cnccn1)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040395 KBGMGVZJWXGBRJ-VQIMIIECSA-N 354.410 1.962 0 40 FDAB Cc1nc(CN2CCOC[C@]3(CN(Cc4ccncc4)CCO3)C2)cs1 96049827 LNDHIEMHHKXTLR-IBGZPJMESA-N 374.510 1.950 0 40 FDAB Clc1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 267102122 PDOBLUUZPPAVAE-UHFFFAOYSA-N 361.837 1.083 0 40 FDAB COCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21 602992905 WENLGZZVPZULDS-UHFFFAOYSA-N 364.373 1.712 0 40 FDAB NCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c1 257339939 ZDVXSDWOXNFJSO-GUDVDZBRSA-N 371.437 1.510 0 40 FDAB NC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCN1Cc1ccccc1 257250469 JMQAIICZRPOWBQ-QGZVFWFLSA-N 367.453 1.100 0 40 FDAB CNc1cc([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)ccn1 257322840 WHPRARSLGBENJJ-OAHLLOKOSA-N 352.504 1.727 0 40 FDAB O=c1ccc(C2CC2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2C[C@H]1CCOC1 257366810 VJANDOSRBSFSKI-BCVNXQCYSA-N 359.470 1.515 0 40 FDAB CN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257218559 DDOGMTCVIFBFFA-VAMGGRTRSA-N 358.482 1.862 0 40 FDAB Cc1nnc(CN2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)s1 625662329 OIFRMGHZTSBNGU-CQSZACIVSA-N 353.469 1.824 0 40 FDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cccc(CN2CCCC2)c1 644060038 KKJSOLKNEZUETH-HXUWFJFHSA-N 359.470 1.650 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 647927601 VPFUEIOKGNHKGC-MRXNPFEDSA-N 370.427 1.208 0 40 FDAB CN1CC[C@@H](N2CCC(NC(=O)c3ccc4ccncc4c3)CC2)C1=O 652162409 PCTGUNQPIFSHSF-GOSISDBHSA-N 352.438 1.660 0 40 FDAB O=C1CN(C(=O)c2ccc(Cn3cncn3)cc2)CN1CC(F)(F)F 683068875 BXSNFLZIKCQRQY-UHFFFAOYSA-N 353.304 1.131 0 40 FDAB O=C(CN1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 96118923 CPFOTOMJTWZGRY-UHFFFAOYSA-N 364.405 1.861 0 40 FDAB Cn1cccc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)c1=O 390830073 IONPYNFAMYWRRH-UHFFFAOYSA-N 371.422 1.029 0 40 FDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2COc2ccccn2)no1 585094633 GIVIZOITCGXMEF-CYBMUJFWSA-N 353.382 1.758 0 40 FDAB Cc1nn2c(=O)/c(=C/c3ccc(Br)cc3)sc2nc1=O 637301 XQYYEEQRXOYLSE-POHAHGRESA-N 350.197 1.130 0 40 FDAB CC1CCN(C(=O)[C@H]2C[C@@H](c3ccc(F)cc3)NS(=O)(=O)N2C)CC1 12129749 IDHAYPHODORCHN-JKSUJKDBSA-N 369.462 1.664 0 40 FDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1 13058557 RFVPQKFCDHQCCN-UHFFFAOYSA-N 351.403 1.544 0 40 FDAB CCC[C@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1 19501898 ZWUDQEVKPCSMIO-CQSZACIVSA-N 362.434 1.212 0 40 FDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(S(C)(=O)=O)C1 19703400 GWHCIMWGSYRFCR-QGZVFWFLSA-N 363.439 1.282 0 40 FDAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2nnc3n2CCNC3)C1 19710987 FCNJXWPYQXQIAV-HNNXBMFYSA-N 362.437 1.949 0 40 FDAB Cc1ccc(C)c2c1cc(C(=O)N1CCC3(CC1)NC(=O)N(C)C3=O)n2C 19714615 AUKPAFJVGFONQL-UHFFFAOYSA-N 368.437 1.952 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 647928371 KFNSNUNONURLDV-INIZCTEOSA-N 365.411 1.127 0 40 FDAB Cc1nc2n(n1)CCN(C(=O)c1cnn3c1N[C@@H](C)C[C@H]3C(F)(F)F)C2 13228097 GLUOPOVBSBKEHE-KWQFWETISA-N 369.351 1.747 0 40 FDAB O=C([C@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCCCC1 1888867027 AGCYTZJBOSAATN-QGZVFWFLSA-N 355.442 1.824 0 40 FDAB c1nc(N2CCN(c3nncs3)CC2)c2ncn(C[C@@H]3CCCO3)c2n1 1888903884 NNPNBXMVBQJQKA-LBPRGKRZSA-N 372.458 1.183 0 40 FDAB CCc1ccc2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)sc2c1 1889141340 TZLOHNPKKQYTAD-OAHLLOKOSA-N 361.467 1.923 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1cccc(F)c1 24320285 UHGZOLIBWLTMOY-ZDUSSCGKSA-N 350.415 1.851 0 40 FDAB CC(C)C[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCOCC1 25254978 FPLOQVUKSGMDIW-OAHLLOKOSA-N 372.469 1.329 0 40 FDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12 100062358 DFWUNJMYQLNCAH-RKDXNWHRSA-N 356.165 1.374 0 40 FDAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1 1565545813 MNOGFXHVNIUZQZ-CQSZACIVSA-N 350.382 1.517 0 40 FDAB O=C(c1cnn2ccccc12)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 1565554864 HOUPNYPDZUMVIH-JKIFEVAISA-N 354.410 1.186 0 40 FDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]2O1 1565551508 RIYBEBYYNASAOD-XKQJLSEDSA-N 361.417 1.295 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(-c2cccs2)o1 13792901 WDCJTUWQVOTKEE-VIFPVBQESA-N 356.429 1.551 0 40 FDAB Cc1ccnc(N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)n1 2086889528 OVBAUILXPORTSW-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cccnc2)C(=O)C1 585150359 RVHUTTJNFYVDOE-CYBMUJFWSA-N 369.377 1.453 0 40 FDAB O=C1C[C@H](CN2C(=O)NC3(CCOCC3)C2=O)CN1Cc1ccccc1 348616995 RVEWINMSBPSIBQ-HNNXBMFYSA-N 357.410 1.136 0 40 FDAB CC(C)(C)NS(=O)(=O)CC(=O)NCCCN1CCc2ccccc2C1 40155436 LWRZLYMHIFTWSN-UHFFFAOYSA-N 367.515 1.269 0 40 FDAB C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(c32)O1 51364619 FWBPCBSVCCTLPC-JTQLQIEISA-N 361.373 1.372 0 40 FDAB O=C(COn1nnc2ccc(Cl)cc21)NC[C@@H]1COc2ccccc2O1 32769773 FOXUDXJKDQBFIQ-GFCCVEGCSA-N 374.784 1.470 0 40 FDAB Cn1c(COC(=O)CCSc2ccccc2F)cc(=O)n(C)c1=O 32865257 LANOFKPVRSFLGY-UHFFFAOYSA-N 352.387 1.449 0 40 FDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)c1 794251 HNLMABHCFJIVNA-AWEZNQCLSA-N 367.405 1.851 0 40 FDAB Cc1cc(C)n(CCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)n1 23206499 FYLIFTINQYFOSR-UHFFFAOYSA-N 367.427 1.160 0 40 FDAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2nnnn2n1 54389169 MUGQXZBCSDLFAD-NSHDSACASA-N 368.319 1.414 0 40 FDAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)N[C@H]1CCS(=O)(=O)C1 42872323 YMUIQEKLGBRWMG-ZFWWWQNUSA-N 370.471 1.165 0 40 FDAB CN(Cc1cnn(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 24471944 FFYAETCFTXHFQV-UHFFFAOYSA-N 370.862 1.353 0 40 FDAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCC(c2ccccc2)=N1 106762940 JHPKCXRGBNHINM-SZMVWBNQSA-N 354.454 1.741 0 40 FDAB C[C@H](OC(=O)CN1C(=O)COc2ccccc21)C(=O)NCc1cccs1 4967242 WXAPMLDDOMXXFO-LBPRGKRZSA-N 374.418 1.722 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 6114487 YEBOYNVYNNLIQR-UHFFFAOYSA-N 353.334 1.629 0 40 FDAB CCN(CC)C(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 53197247 NFSLLRLUAPUGGO-UHFFFAOYSA-N 370.453 1.968 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCC1 12594091 UNKUILOCFNMVTN-KRWDZBQOSA-N 366.421 1.943 0 40 FDAB O=c1n(Cc2cc(=O)n3ccsc3n2)nnn1-c1ccccc1Cl 10198475 ILEKGBMXBBRDHN-UHFFFAOYSA-N 360.786 1.200 0 40 FDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)Nc1ccccc12 2292875 DTLZNRNHUJZKQT-SFHVURJKSA-N 358.350 1.087 0 40 FDAB COc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)cc1Cl 11565973 UUZQNSFWNNCETO-UHFFFAOYSA-N 362.835 1.210 0 40 FDAB O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H](O)c1ccc(F)c(F)c1 48175178 SUMLLIKGAVDQAH-MRXNPFEDSA-N 359.332 1.525 0 40 FDAB Cc1ccnc2nc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)nn12 12789023 AEJQDZPMRGMCHD-UHFFFAOYSA-N 358.789 1.246 0 40 FDAB CN(C)[C@@H]1CCN(C(=O)[C@@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 107186364 IUSKODJZYAYUPS-XLIONFOSSA-N 367.497 1.682 0 40 FDAB COCCn1ccc(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)n1 72314618 NHEJHVGLNNBNGP-UHFFFAOYSA-N 370.413 1.093 0 40 FDAB Cc1ccc(C)c(N2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)c1 20140595 FFKYBLCVSLDUSW-QGZVFWFLSA-N 356.474 1.791 0 40 FDAB Cc1cc(OCC(=O)OCC(=O)N2CCC(C(N)=O)CC2)ccc1Cl 3443361 PQBCBPQLMSWJTB-UHFFFAOYSA-N 368.817 1.294 0 40 FDAB CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 13259998 QIQKJWOJGLPKFX-INIZCTEOSA-N 361.419 1.657 0 40 FDAB COc1cccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1 5021421 YDETWZTYIRZLFY-UHFFFAOYSA-N 355.354 1.545 0 40 FDAB COc1ccc(-c2noc(CSc3nc(N)cc(=O)[nH]3)n2)cc1OC 4385868 OZSHZEBOIYPSKN-UHFFFAOYSA-N 361.383 1.712 0 40 FDAB COc1ccc([C@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)cc1OC 14128988 QPFVXNWWFJJOFG-MGNBDDOMSA-N 361.398 1.138 0 40 FDAB Cc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)s1 14852837 JSMPJMIIODEWHX-UHFFFAOYSA-N 366.464 1.886 0 40 FDAB Cn1c(=O)c2nc(Oc3cccc(C(F)(F)F)c3)n(C)c2n(C)c1=O 5943369 IGVFKXWPWBOUPJ-UHFFFAOYSA-N 354.288 1.782 0 40 FDAB C[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)c2ccccc2C1=O 7007139 OCZZKGRLSFDTJN-NSHDSACASA-N 362.349 1.286 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)s1 7989785 QQBVGZRMODYING-KRWDZBQOSA-N 371.422 1.569 0 40 FDAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)C[C@@H]1C=CS(=O)(=O)C1 16446883 FLFFXCHGAPTJRI-STQMWFEESA-N 367.423 1.822 0 40 FDAB O=C(CN1C(=O)CCOc2ccccc21)NCc1nnc2ccccn12 8352315 DALFAQGGGPQRHN-UHFFFAOYSA-N 351.366 1.161 0 40 FDAB COC(=O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 17440551 MRLLUDQYVMZYEB-UHFFFAOYSA-N 368.455 1.083 0 40 FDAB Cc1[nH]cc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c(=O)c1Br 84008156 LLQJKXOMEZTMPH-SECBINFHSA-N 371.231 1.861 0 40 FDAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)s1 8881906 YLCGLUPQBAPXTD-UHFFFAOYSA-N 371.488 1.722 0 40 FDAB CCOC(=O)N1CCC[C@@H](C(=O)NCCC2CCS(=O)(=O)CC2)C1 95454053 HYZWKGXJEURZPB-CQSZACIVSA-N 360.476 1.186 0 40 FDAB Nc1nc(COC(=O)c2ccc(N3CCOCC3)nc2)nc2ccccc12 21592130 HBVXWDAVONGIMK-UHFFFAOYSA-N 365.393 1.801 0 40 FDAB Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(S)cc1Cl 27321118 IKFJHRYQVHARDM-UHFFFAOYSA-N 374.879 1.571 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 29704210 OWDXJUNYDRKUOR-MRXNPFEDSA-N 358.442 1.305 0 40 FDAB C[C@@H]1c2nc(C(=O)NCc3ncccn3)cn2CCN1Cc1ccoc1 306136401 PSLVCXMXYHIJGC-CYBMUJFWSA-N 352.398 1.773 0 40 FDAB COc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)cc1 306141516 VYVDCELSCILZPL-KVSKMBFKSA-N 368.437 1.362 0 40 FDAB Cn1cc([C@H]2CC(c3c(O)[nH]c(=O)sc3=O)=Nc3ccccc3N2)cn1 36619567 XQOSDVCIAQWUTN-GFCCVEGCSA-N 369.406 1.913 0 40 FDAB O=C(c1ccccc1F)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70974772 QMWUFFLYYDXAAI-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB O=C(c1cnc2n1CCCC2)N1CCS(=O)(=O)C2(CCCCC2)C1 560236246 HYRNXHJZVUEYLF-UHFFFAOYSA-N 351.472 1.793 0 40 FDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218191696 ZOUBLUUFFYHYFO-MDZLAQPJSA-N 362.245 1.220 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 72401984 USOSPYJZVNXVCV-ZIAGYGMSSA-N 351.447 1.530 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cccc4c2=O)CC3)CC1 223093234 BEQWWNNUDMOFPR-UHFFFAOYSA-N 355.394 1.472 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCN(C)c2ccccc2)s1 224042201 RPCPAMHHAKZKCO-UHFFFAOYSA-N 369.472 1.301 0 40 FDAB O=C(c1ccc(=O)[nH]n1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225729283 HRBYIZVMTVDCSW-JTQLQIEISA-N 354.288 1.477 0 40 FDAB CNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1OC 224220690 MRIYRFUNMNDCJZ-UHFFFAOYSA-N 364.423 1.412 0 40 FDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)ccc1F 225420502 WDOBBTCQJQSOCJ-SNVBAGLBSA-N 367.358 1.156 0 40 FDAB Cc1ccccc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 96255730 QPBFUZXOBTUVFZ-UHFFFAOYSA-N 352.438 1.863 0 40 FDAB Cc1nn(C)c2nccc(N3CCN(c4ccc(C(=O)O)cn4)CC3)c12 579235697 CGAFATQNZHOBDS-UHFFFAOYSA-N 352.398 1.697 0 40 FDAB O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96073762 RIRVIUQXAATOPA-MLGOLLRUSA-N 355.435 1.748 0 40 FDAB Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)Cc3ccccn3)C2)no1 96110084 IOPAWVPBOUZQPA-DNVCBOLYSA-N 356.426 1.485 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCOCC2)Oc2ccccc21 247957411 ODFBEHSCYKFGNC-FKEXNYPISA-N 356.422 1.800 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 245230588 UXXUWGNCUZDDFZ-NXEZDXNNSA-N 362.401 1.803 0 40 FDAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2 247968766 HCDPROZZFVJPRE-CYBMUJFWSA-N 352.410 1.096 0 40 FDAB CCc1nccn1CC(=O)NCc1cncc([C@@H]2CCCN2C(C)=O)n1 257330632 XPGFYSSHCBPWFA-INIZCTEOSA-N 356.430 1.235 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc21 250940663 IVWKPVUYITVDQV-WFGGJUAMSA-N 350.440 1.518 0 40 FDAB CC(=O)NCc1cc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)ccn1 257227903 FRMZEDPJTLKPIO-INIZCTEOSA-N 352.460 1.195 0 40 FDAB CCc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)on1 257254850 KEXUSJZMPKOXPV-SNVBAGLBSA-N 352.416 1.383 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1CCc1ccccc1 257213946 CJURYRLOONQMTE-IBGZPJMESA-N 366.465 1.505 0 40 FDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccc(F)cc1 257206730 BESANVMZGQRLCE-LJQANCHMSA-N 358.417 1.648 0 40 FDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc(F)c2)CC1 670416122 NWFYOTMYWIXYRV-AWEZNQCLSA-N 371.416 1.937 0 40 FDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[C@H]1N(C)C 682689659 DGFKMBNBBKGCSL-IACUBPJLSA-N 357.451 1.091 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 683336480 NNNGJPKVTDDJCQ-LLVKDONJSA-N 360.501 1.354 0 40 FDAB COCCn1nnc2c1C[C@H](c1nc(-c3ccc(O)c(OC)c3)no1)CC2 1775960582 TWOBMCVYOFCBRX-GFCCVEGCSA-N 371.397 1.961 0 40 FDAB Cc1ccc(CC2CN(C(=O)[C@@](C)(O)Cn3c(C)cccc3=O)C2)cc1 618894842 NHOXWOOPTNLFMH-NRFANRHFSA-N 354.450 1.917 0 40 FDAB O=C(O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 621541500 GDQDWQSAYZCYBM-COPLHBTASA-N 350.396 1.200 0 40 FDAB O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cc2n(n1)CCO2 628573787 ZMOWRBHAOCZCPB-QMTHXVAHSA-N 353.300 1.940 0 40 FDAB CCCOc1ccc(-c2nnc3n2CCS(=O)(=O)CC3)cc1OC 630951054 HJNLNLAWKHENQN-UHFFFAOYSA-N 351.428 1.713 0 40 FDAB CO[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)C[C@]12C[C@@H](c1ccccc1)CO2 585293999 GWQMTNSRZJKYLU-WRWLIDTKSA-N 371.437 1.395 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3ccc(C)nn3)C2)c1 585277499 MJYWSBUIUSDFBE-IBGZPJMESA-N 357.410 1.376 0 40 FDAB NC(=O)COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 53067897 QYLAFJYCNWRUFM-UHFFFAOYSA-N 367.405 1.149 0 40 FDAB Cc1noc([C@@H]2CC[C@H](CN(Cc3nccs3)S(C)(=O)=O)O2)n1 548663045 NJVHKXJRWCZSLR-MNOVXSKESA-N 358.445 1.516 0 40 FDAB COCc1cccc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)O)CC2)c1 548836725 VQMJGZVBMQKBSO-UHFFFAOYSA-N 371.455 1.459 0 40 FDAB Cc1nc(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c2ccncc2n1 585593018 DOPLJCGFUYWKDV-UHFFFAOYSA-N 361.413 1.404 0 40 FDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C4CCCC4)C[C@H]23)n1 1549162810 WIONTONTSQHTGQ-HNNXBMFYSA-N 371.441 1.197 0 40 FDAB O[C@]1(Cc2cccc(Cl)c2)CCN(Cc2nnc3n2CCOCC3)C1 1614994912 WPFWXKGIQFHYLM-SFHVURJKSA-N 362.861 1.684 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCc3ccccc3Cl)nc2n1 5021431 MUILIVMSFUDPGT-UHFFFAOYSA-N 373.800 1.868 0 40 FDAB CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2cccnc2)no1 12529875 UUFOBOQDRAZJLV-ZFWWWQNUSA-N 350.382 1.702 0 40 FDAB biogenic,in-vitro Cc1cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)n(-c2ccccc2)n1 13119847 JZHJNDOSEBCXRV-UHFFFAOYSA-N 356.411 1.577 0 40 FDAB CC(C)(C)N1C(=O)[C@H]2C3C=CC([C@H]2C1=O)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]31 13153728 LZGVDLOLBZIVCC-IJIPSMSCSA-N 358.438 1.602 0 40 FDAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(C)CC2)no1 15673365 TXSPGKCXYLPJOK-IRXDYDNUSA-N 362.518 1.950 0 40 FDAB biogenic,in-vitro CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N3CCC(O)CC3)c2C1 19711474 IPXTXLLQIJQTEZ-HNNXBMFYSA-N 373.501 1.152 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565547586 LQBYOMAORDRDJT-UHFFFAOYSA-N 366.458 1.831 0 40 FDAB O=C(c1csnn1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565554940 LILPKPAAAVKEDN-VNQPRFMTSA-N 360.439 1.770 0 40 FDAB O=C(C[C@H](NCCOCCO)C(=O)O)Nc1ccc(Cl)c(Cl)c1 4280199 RIVLJLXFAUIATB-LBPRGKRZSA-N 365.213 1.374 0 40 FDAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)CN(C)C)CC1 2055738722 MNGGEUPGPCZNBY-UHFFFAOYSA-N 364.465 1.685 0 40 FDAB CC(C)Oc1cccc(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)c1 2055772355 BMQNZYCQHJXKBN-ZBFHGGJFSA-N 352.456 1.580 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cccn2C)CC1 2055738789 QPUQEQWYDWTKOM-UHFFFAOYSA-N 358.417 1.997 0 40 FDAB O=C(Cc1c[nH]c2ccccc12)NCc1ccnc(N2CCOCC2)n1 206726867 VHBZPWRQBDVFIF-UHFFFAOYSA-N 351.410 1.653 0 40 FDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 585147221 AXWUMKNYDYCZEC-OAHLLOKOSA-N 368.372 1.880 0 40 FDAB Cc1cc(C)n(-c2ccc(N3CCN(CC4(O)CCCC4)CC3)nn2)n1 2298182319 GEHQFEKCPSGGEA-UHFFFAOYSA-N 356.474 1.706 0 40 FDAB O=S(=O)(NCc1cccnc1-n1cccn1)c1cccc2nsnc12 40090045 PYFSHEDQFCHAOR-UHFFFAOYSA-N 372.435 1.751 0 40 FDAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC2(CC1)NC(=O)NC2=O 40033842 SRDUYHXIOLKODZ-UHFFFAOYSA-N 359.426 1.698 0 40 FDAB COC(=O)CCN(CC(C)C)C(=O)c1cccc(OCC(=O)N(C)C)c1 40156815 SWYUCELKCJKQBF-UHFFFAOYSA-N 364.442 1.815 0 40 FDAB Cc1cc(CNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)on1 50612806 MSDGVQOKKCQZGR-HUUCEWRRSA-N 363.414 1.581 0 40 FDAB COc1ccc(C(=O)COC2=C(O)C(=O)O[C@@H]2[C@@H]2COC(C)(C)O2)cc1 20445721 UDWAYAMTSKEKEI-DZGCQCFKSA-N 364.350 1.741 0 40 FDAB CC(C)CCNC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489454 NYPRQPREQHLIOB-UHFFFAOYSA-N 361.486 1.738 0 40 FDAB NC(=O)c1ccc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102133928 XFWUYKHXTVABCZ-GASCZTMLSA-N 358.394 1.394 0 40 FDAB COCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 41109029 CNMHCJIFTMNHFL-HNNXBMFYSA-N 362.879 1.279 0 40 FDAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815986 PTZANUQJSGJXHD-STQMWFEESA-N 356.444 1.609 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccccn2)cc1 33028145 JEUUATQWVNYJLD-CYBMUJFWSA-N 363.439 1.116 0 40 FDAB COC[C@@H](C)NC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 22929241 BVVCCBPJSLRXFP-LLVKDONJSA-N 350.444 1.828 0 40 FDAB CC(=O)N1CCC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1 54229854 SBSGQOSGLPFAHI-CYBMUJFWSA-N 372.874 1.488 0 40 FDAB O=C(NCCC(=O)N1CCC[C@H]1c1nnc2ccccn12)c1cnccn1 95476356 VSUSKKJDXDPMJQ-AWEZNQCLSA-N 365.397 1.003 0 40 FDAB CNC(=O)[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 78619883 VAEHGGMKUSLEGT-JTQLQIEISA-N 350.362 1.943 0 40 FDAB CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)c1ccccc1 78716876 WVSGYFGKUFZMAU-OAHLLOKOSA-N 350.382 1.868 0 40 FDAB CN1CCCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)CC1 106940161 PNGQFGPBVVIQBS-ZDUSSCGKSA-N 363.414 1.082 0 40 FDAB biogenic C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)NC(N)=O 6124887 VHKFCZFBMTXVGC-BDAKNGLRSA-N 371.390 1.013 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)nn1 56970697 ZKBBAWBRUUSLLU-INIZCTEOSA-N 361.833 1.901 0 40 FDAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2cn(C)nc2C)n2ncnc2N1 6921582 MOMQBBNCDYRXST-KRWDZBQOSA-N 363.425 1.925 0 40 FDAB CCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OCC)c1 7263320 BXJSEZGDERHWNA-UHFFFAOYSA-N 368.825 1.611 0 40 FDAB CN(CC(=O)NCc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 35310615 VSQYYFDZEWYNPS-UHFFFAOYSA-N 354.385 1.810 0 40 FDAB CCN1CCC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 58159831 HAKQPXKZCGBVSX-CQSZACIVSA-N 365.499 1.972 0 40 FDAB CC(C)N(C)CC1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 58324990 WSHDLLIWYNLDNJ-UHFFFAOYSA-N 353.488 1.526 0 40 FDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cc4nonc4C)C3)cc2n1 100137877 QRBMBLKBKBXKJF-GFCCVEGCSA-N 356.386 1.383 0 40 FDAB COC(=O)c1c(C)nc(C2CC2)nc1S[C@@H](C(=O)NC(N)=O)C(C)C 36393038 IDRFLURQOJNCMM-LLVKDONJSA-N 366.443 1.761 0 40 FDAB C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1Cl 95461387 IJIIYPCKZFLJQX-VIFPVBQESA-N 351.765 1.994 0 40 FDAB CCCCn1c(C(=O)NCc2ccco2)cc2c(=O)n(C)c(=O)n(C)c21 11845410 PBWUISYNEDABHO-UHFFFAOYSA-N 358.398 1.362 0 40 FDAB COC(=O)C1CCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)CC1 2648812 RCAHAKVDLQWXIO-UHFFFAOYSA-N 358.394 1.665 0 40 FDAB CN(C)[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)c1cccs1 48249238 WWXJPYXPIRXOBT-HNNXBMFYSA-N 356.451 1.877 0 40 FDAB C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCC1 48355669 KHSGUASVIFANCW-DOTOQJQBSA-N 365.499 1.440 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O 12890585 DUEJWJJXXGGYPC-KDOFPFPSSA-N 361.398 1.610 0 40 FDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NCCC(C)C)c1C 3441298 KPAYCIBLLAWRCI-UHFFFAOYSA-N 351.403 1.863 0 40 FDAB Cn1ncc(C(N)=O)c1NC(=S)NC(=O)c1ccc(Br)o1 3434649 VVRBGTRXKWSHIS-UHFFFAOYSA-N 372.204 1.001 0 40 FDAB COc1ccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 3565722 GZXPDJIOHBLNJV-UHFFFAOYSA-N 364.423 1.080 0 40 FDAB O=C(NCCc1nnc2n1CCCCC2)c1n[nH]c(=O)c2ccccc12 12938003 VNDPLIPJNDERDZ-UHFFFAOYSA-N 352.398 1.214 0 40 FDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 13101542 BPBZZVHACCGBAB-IBGZPJMESA-N 364.449 1.929 0 40 FDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2nncn2C)n1 9114201 OENBGUAZTHKQKE-UHFFFAOYSA-N 358.431 1.447 0 40 FDAB C[C@H](OC(=O)c1cc(Br)ccc1N)C(=O)N1CCOCC1 9157913 VWHGHGGTOVLPOY-VIFPVBQESA-N 357.204 1.435 0 40 FDAB O=C(CN1CCN(c2nccs2)CC1)N1CCN(c2ccccn2)CC1 19659059 UXCRDUWJBKJMBO-UHFFFAOYSA-N 372.498 1.009 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc(=O)n2ccsc2n1 4493030 CNZYRCNGDSQNCA-UHFFFAOYSA-N 368.374 1.278 0 40 FDAB COCCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 113961554 KJARPUXIXNSBQS-UHFFFAOYSA-N 358.460 1.394 0 40 FDAB CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCC(=O)N4)cn2)CC1 14521713 JOGOKASBCYTGMA-UHFFFAOYSA-N 367.409 1.417 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1nc2ccccc2[nH]1 9318807 BLXVJJPQIVNMGO-UHFFFAOYSA-N 366.377 1.380 0 40 FDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2cc(OC)ccc2[nH]c1=O 95477601 LXXUUDGMBMDKFC-LBPRGKRZSA-N 357.366 1.969 0 40 FDAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7478865 MYZMILKSCQKUHA-GOSISDBHSA-N 372.450 1.975 0 40 FDAB O=C(OCC(=O)N1CCNC1=O)c1cccnc1Sc1ccccc1 9514555 RJHOQULNFUTUEI-UHFFFAOYSA-N 357.391 1.941 0 40 FDAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc3c(c2)CCCC3)n(C)c1=O 8011923 UOTKKOHVQOFAJV-UHFFFAOYSA-N 352.394 1.195 0 40 FDAB Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1C 8394293 YUGAILQUOQLODW-UHFFFAOYSA-N 354.457 1.349 0 40 FDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4csc(C)n4)[C@H]3C2)no1 306131612 KJYXRTPLQVOCMH-JGGQBBKZSA-N 362.455 1.625 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCOc3ccc(C)cc3)ccc21 18074935 OVGFNINFPXFNGL-UHFFFAOYSA-N 367.405 1.827 0 40 FDAB CC(C)(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768801 YIQMPNODVFVDRI-UHFFFAOYSA-N 367.471 1.002 0 40 FDAB CC(C)(CNS(=O)(=O)c1cccc2nsnc12)N1CCOCC1 19078792 JIXKLOFKPWXJEJ-UHFFFAOYSA-N 356.473 1.080 0 40 FDAB Cc1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 9088550 XZNCBLDSBWIYGB-UHFFFAOYSA-N 369.454 1.910 0 40 FDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2scnc2C(C)(C)C)CC1 72309565 YWRLHDGGUXDILQ-UHFFFAOYSA-N 366.487 1.251 0 40 FDAB COC(=O)c1cn([C@@H]2CCCN(C(=O)c3nc(C)n4c3CCCC4)C2)nn1 95941081 IXKXGOIHIXOESJ-CYBMUJFWSA-N 372.429 1.383 0 40 FDAB CC1CCN(C(=O)[C@H](C)N2CCCC[C@H](N3CCN(C)CC3)C2)CC1 89929932 FYIPAPKPWFFYRB-OALUTQOASA-N 350.551 1.735 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1Cl 20005854 PYJKPSIIXQVZGT-AWEZNQCLSA-N 368.842 1.724 0 40 FDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC[C@H](O)C(F)(F)F)C2=O 545284651 MYFHNDGHOHNBEM-CABZTGNLSA-N 358.316 1.409 0 40 FDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2c(N)ncnc21 552724955 XQVUNCWBKCYXMS-UHFFFAOYSA-N 368.397 1.228 0 40 FDAB O=C(CC1CC1)NCC[C@H]1CCOC12CN(C(=O)c1cccc(O)c1)C2 306140241 UNTQSOOMGWXBFC-INIZCTEOSA-N 358.438 1.930 0 40 FDAB Cc1nc(COc2ccccc2S(=O)(=O)N2CC(CO)C2)cs1 521396975 ACQWHLMEMMBAGZ-UHFFFAOYSA-N 354.453 1.643 0 40 FDAB O=C(c1ccc(-n2ccnc2)nn1)N1CCN(CCc2ccccc2)CC1 522965971 UNXUSTMRKHFFNN-UHFFFAOYSA-N 362.437 1.663 0 40 FDAB CCOc1ccc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OCC 39994146 HYLPETRWEVAXMF-AWEZNQCLSA-N 355.456 1.577 0 40 FDAB CN(C)c1nc2c(c(N3CCOCC3)n1)CN(Cc1ccccc1)CC2 72341937 KENDFXKOESHRIE-UHFFFAOYSA-N 353.470 1.938 0 40 FDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 37867479 VJRRGVUYOXJSEL-VTQNTBAGSA-N 357.362 1.569 0 40 FDAB Cc1cc(C)cc(OC[C@@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 43644813 VMLPDRVJNSOHLJ-INIZCTEOSA-N 367.409 1.496 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@H](Oc2cccnc2)C1 85435966 QVUIAFHVONUYSR-OAHLLOKOSA-N 352.387 1.689 0 40 FDAB biogenic,in-vitro Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)ncc1C(=O)O 49468469 CVHPRMZIQYQKJQ-UHFFFAOYSA-N 355.803 1.957 0 40 FDAB O=C(O)[C@@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCC2 49467093 OMYXVVYKXCNHHI-KRWDZBQOSA-N 358.438 1.956 0 40 FDAB CNC(=O)CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227153020 ACZUDAVCOJFZTN-LLVKDONJSA-N 350.806 1.545 0 40 FDAB Cc1cccc(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 224181767 HEJFOZIRPFHVRE-UHFFFAOYSA-N 362.455 1.409 0 40 FDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cc2ncccc2o1 225806767 LLUCVCYNUJYTPX-UHFFFAOYSA-N 356.363 1.323 0 40 FDAB CN(C)C(=O)CN1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96080387 JTYJXLNCRIIJRY-FQEVSTJZSA-N 352.438 1.706 0 40 FDAB O=C(N1CCCC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96062457 IYZNXDSXDWQHKP-KRWDZBQOSA-N 350.488 1.883 0 40 FDAB O=C(C1CCOCC1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96049585 CEDRXACFKPHOLE-HXUWFJFHSA-N 359.470 1.954 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3cccnc3)C2)CN1c1ccsc1 96240200 LZHZDAZHHNMELA-SFHVURJKSA-N 359.451 1.778 0 40 FDAB Cc1nnc([C@H](C)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)s1 332712377 ZFLYGBZEKUZHKN-FXBDTBDDSA-N 372.438 1.662 0 40 FDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCc1ccco1 95476181 WONYSFARZVVJMS-INIZCTEOSA-N 355.394 1.696 0 40 FDAB CCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(C(=O)NC(C)C)C2 96143514 DWUGVACUBVOJJX-UHFFFAOYSA-N 367.494 1.079 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21 248110871 HGBHKNNEVZAZSZ-QGZVFWFLSA-N 371.485 1.825 0 40 FDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)c1noc2c1CCCC2 257305699 SRCCRYCIVAHWIJ-IBGZPJMESA-N 356.426 1.662 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(Br)cn2)C1 257335648 YLEHOMXBDKMHJJ-SNVBAGLBSA-N 363.281 1.300 0 40 FDAB O=C(c1cccc([C@@H]2CCCN(C(=O)c3cnco3)C2)n1)N1CCOCC1 257321819 WDJAOJNVAJKYNA-CQSZACIVSA-N 370.409 1.562 0 40 FDAB CN[C@H]1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)OC[C@]1(C)O 257202883 ANULEMPKRRXWKW-BBRMVZONSA-N 353.488 1.494 0 40 FDAB CCOc1ccc(N2CCN(C(=O)Nc3cc(N(C)C)ncn3)CC2)nn1 666911131 PJBFERYUFAHYRF-UHFFFAOYSA-N 372.433 1.085 0 40 FDAB O=C(COc1ccccc1F)N1CC(S(=O)(=O)Cc2ccco2)C1 96122058 YVGFYKYCBTUFIC-UHFFFAOYSA-N 353.371 1.623 0 40 FDAB CC(C)(C)n1ncnc1CNC(=O)NC1CCN(C(=O)c2ccco2)CC1 576361655 SDGQOWVLIMVXDZ-UHFFFAOYSA-N 374.445 1.730 0 40 FDAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)Nc2cccc3c2OCCC3)C1 585088671 ZEKPQUJGZMCHQV-IBGZPJMESA-N 361.442 1.849 0 40 FDAB O=C(Cc1ccccc1)N1CC[C@](O)(CNCCc2ccccc2)[C@@H](O)C1 585286293 YOGOVUGSLMUEML-UNMCSNQZSA-N 368.477 1.386 0 40 FDAB CC1(C)Cc2cc(S(=O)(=O)NCc3ncc(C(=O)O)cn3)ccc2O1 585124126 JDOLXGMXZSXVGP-UHFFFAOYSA-N 363.395 1.367 0 40 FDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@H]21 585109222 DBQSXICTKMEQST-HBFSDRIKSA-N 365.433 1.556 0 40 FDAB Cc1cc(CN2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)no1 1772595283 JSEDBPFBSYOTIG-GOSISDBHSA-N 373.501 1.143 0 40 FDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)c2cccnc2n1 13228040 IGWPNOCVTBWZPR-UONOGXRCSA-N 374.466 1.474 0 40 FDAB COCCC(=O)N1CCC(O)(Cn2ncc3ccc(NC(C)=O)cc32)CC1 19022772 OOJRZNSMDJEIQS-UHFFFAOYSA-N 374.441 1.385 0 40 FDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 19961142 XSPUHPCGZCRVBG-CYBMUJFWSA-N 367.409 1.743 0 40 FDAB Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCOc4ccccc43)nc12 12117781 MOYZBFZPQKSZJR-UHFFFAOYSA-N 363.377 1.413 0 40 FDAB Cn1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1=O 390832086 XCVZCYGCEGDEQU-SECBINFHSA-N 355.320 1.032 0 40 FDAB CCOC(=O)c1cnc(SCC(=O)c2ccc3c(c2)OCO3)nc1N 5969348 IPMNQUVECHEUBH-UHFFFAOYSA-N 361.379 1.939 0 40 FDAB COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 6457619 VJLSBLKTMJLFCE-INIZCTEOSA-N 371.345 1.335 0 40 FDAB Cc1cc2c(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)nccn2n1 1889186485 PUTSJASLMBHJOW-HOTGVXAUSA-N 361.405 1.659 0 40 FDAB COc1nn(C)cc1C(=O)NC[C@@H](c1ccoc1)N1CCSCC1 253408671 YLUWBTYLEQWPLO-AWEZNQCLSA-N 350.444 1.542 0 40 FDAB Cn1cccc(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)c1=O 1565553520 BPWAFPAGUUVZCQ-UHFFFAOYSA-N 361.405 1.478 0 40 FDAB CS(=O)(=O)N1CCCCC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565549085 PJMSFALODFZOIY-UHFFFAOYSA-N 369.462 1.570 0 40 FDAB Cn1cncc1CN1CC[C@H]2[C@H](CC(=O)NCC(F)(F)F)OC[C@H]2C1 1565543533 UENCQYIAOSSYHF-BNOWGMLFSA-N 360.380 1.326 0 40 FDAB COc1ccc(NC(=O)Cn2ccn(-c3ccccc3)c(=O)c2=O)cc1 8588257 PEUJHYBSHXRQFU-UHFFFAOYSA-N 351.362 1.647 0 40 FDAB Cc1cc(NC(=O)C(=O)N2CCC[C@H](C)C2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038623 SMYMOWKNCRFTKY-JTQLQIEISA-N 372.429 1.078 0 40 FDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2CCc1ccccc1)c1cnccn1 2055729640 GPLRRZBMACKPGT-SXLOBPIMSA-N 366.465 1.929 0 40 FDAB Cc1cc(O[C@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)cc(=O)o1 206966022 JCBWDOZIRCUMBL-HNNXBMFYSA-N 366.377 1.822 0 40 FDAB COc1ccc(/C=C/C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1OC 585324426 ORMCZEACGRPHEB-GQCTYLIASA-N 373.453 1.125 0 40 FDAB O=C(c1cnc(O)[nH]1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 585342135 LJQHFBAFWCOKRR-SECBINFHSA-N 368.191 1.351 0 40 FDAB Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 40070339 NWPSKTJUUWUYDW-UHFFFAOYSA-N 369.487 1.023 0 40 FDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 20204130 MZPNBKFVGRQJDX-CYBMUJFWSA-N 366.439 1.689 0 40 FDAB CCN1CCc2nc(NC(=O)Cn3c(=O)n(C)c4ccccc43)sc2C1 21296902 ZWPXYUUOENMDNJ-UHFFFAOYSA-N 371.466 1.813 0 40 FDAB CN(CC(=O)N1CCn2c1nc1ccccc12)S(=O)(=O)c1ccccc1 32826927 VWMMFIPXFLQAAD-UHFFFAOYSA-N 370.434 1.704 0 40 FDAB C[C@H]1CN(c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cn2)C[C@H](C)O1 32930014 MCVSILUMUOQNPO-KBPBESRZSA-N 366.421 1.747 0 40 FDAB COc1c2c(cc3c1[C@@H](CC(=O)[C@]1(C)CCOC1=O)N(C)CC3)OCO2 33348659 ZEBJLZFDIVCYJM-BLVKFPJESA-N 361.394 1.865 0 40 FDAB biogenic Cn1nc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)ccc1=O 53513241 JVZKJHXITPWGJD-UHFFFAOYSA-N 368.437 1.134 0 40 FDAB Cc1ccc(N2CC[C@@H](C(=O)N3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 53502996 LDTDZVFKFGDZDP-SFHVURJKSA-N 369.465 1.865 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 23717351 UQYHHSPNPBCGSF-UHFFFAOYSA-N 367.453 1.651 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(C)C 3559948 AKPNQGNULLMIAX-UHFFFAOYSA-N 354.472 1.792 0 40 FDAB CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 25331920 HZSOEEBXKYAAGD-CQSZACIVSA-N 359.517 1.139 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8299813 MZSZWOLHHUITHN-UAGQMJEPSA-N 373.501 1.419 0 40 FDAB biogenic,in-vitro Cc1ccc(NC(=O)CCNC(=O)c2cc(=O)[nH]c3ccccc23)nc1 58150830 YXOPFAAPJNBBRI-UHFFFAOYSA-N 350.378 1.990 0 40 FDAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(Cl)c1 9288809 QDFWVELYWATMKB-CQSZACIVSA-N 350.802 1.811 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377672 HHJWCAVIGJOFII-SECBINFHSA-N 372.410 1.045 0 40 FDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 24997200 XGLMFOITOYHWFN-UHFFFAOYSA-N 359.831 1.479 0 40 FDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1O2 107263517 FYYSUCJRAQUMDP-NUEKZKHPSA-N 370.446 1.376 0 40 FDAB CCOC(=O)c1c(NC(=O)C(=O)N2CCC(CO)CC2)sc(C)c1C 48027358 VMAMPOHWLTUKLJ-UHFFFAOYSA-N 368.455 1.711 0 40 FDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 11495307 JHPBWOXULSBPKH-CQSZACIVSA-N 352.456 1.722 0 40 FDAB CCNC(=O)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547997 FYQKSLSZOJHBTI-UHFFFAOYSA-N 374.372 1.503 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)N2CCN(CC(F)F)CC2)CC1=O 60240759 GUCANAUYULCUAK-CYBMUJFWSA-N 367.396 1.457 0 40 FDAB O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCCCC1 12030067 AKYDXCGGESEOOC-OAHLLOKOSA-N 371.480 1.274 0 40 FDAB Cc1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1O 3275863 PBZYXWZRSZCQEF-UHFFFAOYSA-N 372.377 1.435 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 12913689 PVEUFEPIRAEOTB-OKILXGFUSA-N 367.471 1.257 0 40 FDAB Cc1nn(CCO)c(N)c1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 6051749 IUJVTRCQHOBIPP-CQSZACIVSA-N 357.197 1.261 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1[N+](=O)[O-] 5166108 RESVKEYLYWTGAW-UHFFFAOYSA-N 368.305 1.627 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O 4488338 QZWQPIGNXLLSTL-UHFFFAOYSA-N 374.484 1.319 0 40 FDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 4495952 MYBKWXAUFKLCAY-GFCCVEGCSA-N 373.796 1.968 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)cc1N(C)S(C)(=O)=O 4488337 YTCOEOCJZWBFQX-UHFFFAOYSA-N 360.457 1.010 0 40 FDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 22514339 MJHPTDDOBPHSNA-UHFFFAOYSA-N 362.407 1.960 0 40 FDAB COc1ccccc1C(=O)NCC(=O)OCN1C(=O)c2ccccc2C1=O 4526226 VPKFDLYPHYSMCZ-UHFFFAOYSA-N 368.345 1.222 0 40 FDAB CC(=O)NCCc1ccc(C(=O)OCC(=O)c2ccc(O)cc2O)cc1 9337845 UVYMFWVTRVWMFC-UHFFFAOYSA-N 357.362 1.816 0 40 FDAB C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1CC1CCOCC1 306134566 NSBOVEHEHAGMOI-LBPRGKRZSA-N 354.401 1.777 0 40 FDAB C[C@@H](Sc1nnc(CN2CCOCC2)n1C)C(=O)Nc1nccs1 19799717 GXOIHHQJHVZORJ-SNVBAGLBSA-N 368.488 1.223 0 40 FDAB CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 5560319 UQIJGEHVNQNEFD-UHFFFAOYSA-N 360.819 1.626 0 40 FDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 9423275 XCUIMUYPTBUUMV-WCQYABFASA-N 360.407 1.629 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 4778683 FRUICLCKDDNIKG-HNNXBMFYSA-N 351.472 1.270 0 40 FDAB CC(=O)Nc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 7045560 RJLUXEOWWMOACD-MRXNPFEDSA-N 356.378 1.980 0 40 FDAB O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc2ccccc2n1 9531416 NIBNZMSNMIWHEE-UHFFFAOYSA-N 355.419 1.943 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1 71801225 WUIXQYISRFCMRQ-FTTUWVIBSA-N 361.471 1.606 0 40 FDAB CCOC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)OC)c2)CC1 24357803 ZUTSAGYCNOIGTP-UHFFFAOYSA-N 370.427 1.372 0 40 FDAB CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 16928901 KKQAGRJBGNLGDQ-LBPRGKRZSA-N 361.471 1.746 0 40 FDAB O=C(Nc1ccnn1Cc1ccccn1)[C@H]1CC(=O)N(Cc2ccco2)C1 8345141 NQZHOKJMECTLHR-AWEZNQCLSA-N 365.393 1.907 0 40 FDAB CN1CCc2nc(NC(=O)Cn3c(=O)n(C)c4ccccc43)sc2C1 27988941 MVIIPLBNCDUDEC-UHFFFAOYSA-N 357.439 1.423 0 40 FDAB CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)CC1 71284893 NPYQTBKUDDSSIN-HUUCEWRRSA-N 359.426 1.370 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnn(C)c1-n1cccc1 71282197 GXFNZASFUKNSRW-INIZCTEOSA-N 352.394 1.725 0 40 FDAB Cc1ncc(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)s1 98119359 PQGJFUDXUUXRKC-GFCCVEGCSA-N 360.505 1.455 0 40 FDAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1 306136539 PWFDXWGXGBUSOU-OAHLLOKOSA-N 363.425 1.761 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)NCCCOC)ccc1OCC 408586219 MNLTXLABWUSPHP-UHFFFAOYSA-N 360.432 1.969 0 40 FDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ocnc4C)C[C@@H]23)n1 306126665 FBLDGFURXVQPHL-KKUMJFAQSA-N 358.398 1.638 0 40 FDAB CN(C)c1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 64449102 KTKPEFLHABTIQX-UHFFFAOYSA-N 362.393 1.749 0 40 FDAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(N)=O)c3)CC2=O)cc1 361226052 AWRWLCGHMZGZOK-CYBMUJFWSA-N 353.378 1.786 0 40 FDAB NC(=O)c1cccnc1N1CCN(C(=O)c2cccc3[nH]ncc23)CC1 509881600 GERZQEACUVAFKN-UHFFFAOYSA-N 350.382 1.019 0 40 FDAB COCC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21 306137729 REKLLHSNIVXEMZ-AWEZNQCLSA-N 353.448 1.016 0 40 FDAB COc1cc([C@H](CC(=O)O)c2oc(C)cc(=O)c2O)cc(OC)c1O 1547139046 ZMSOEFRGMAZMAC-JTQLQIEISA-N 350.323 1.983 0 40 FDAB biogenic C[C@H](C(=O)NC(C)(C)C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326775 MPBMHSOXNHFYMH-ZUOKHONESA-N 372.469 1.854 0 40 FDAB Cc1cccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)n1 72335464 TYGODDVGZVKNGB-GASCZTMLSA-N 369.469 1.645 0 40 FDAB CS(=O)(=O)N[C@@H](CC(=O)NCc1cccnc1)c1ccc(F)cc1 225945264 LZILFOWKGIGFNJ-HNNXBMFYSA-N 351.403 1.518 0 40 FDAB COc1cncc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(C)cc2)c1 573442452 ITLHIPOZILYPII-OAHLLOKOSA-N 350.396 1.893 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(-n3cccc3)cc2)C1 225678775 ZZLPVNMAZNWYKB-UHFFFAOYSA-N 370.434 1.509 0 40 FDAB C[C@@H](C(=O)NC1(c2nnc[nH]2)CCC1)N1CCN(c2ccc(F)cc2)CC1 190371712 XLJVSAFBMPEBBS-AWEZNQCLSA-N 372.448 1.650 0 40 FDAB CCSc1nnc(NS(=O)(=O)c2nnc(NC(C)=O)s2)s1 225463814 PICMWJMPGQAAKK-UHFFFAOYSA-N 366.475 1.261 0 40 FDAB CCCc1cc(N2CCC(N3CCc4[nH]nc(CO)c4C3)CC2)nc(C)n1 96135779 WWCVTWGUGMVQJM-UHFFFAOYSA-N 370.501 1.980 0 40 FDAB O=C(C1CCC1)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244193 LVQBBKXOKMYEQV-IBGZPJMESA-N 358.442 1.114 0 40 FDAB Cc1cc(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)ccn1 580153938 NKFZPJXYFAYBDU-ZIAGYGMSSA-N 357.414 1.475 0 40 FDAB COc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@@H]4[C@H](C2)N(C=O)CC[C@]341 96316340 GKBIDJHSEALBDH-UFHWLQSSSA-N 355.390 1.599 0 40 FDAB biogenic,in-vitro O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(CF)CC1 296056265 YOMKUBHPEGXCHZ-UHFFFAOYSA-N 370.446 1.529 0 40 FDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 96239965 WDQUULGGUCSYTF-SFHVURJKSA-N 359.470 1.702 0 40 FDAB CC(C)n1nnc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)n1 96223877 FKBICNHMGLAAHX-UHFFFAOYSA-N 358.446 1.373 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccncn3)C2)OC1 248140349 TXZIETDSJOLZEE-HNNXBMFYSA-N 356.426 1.823 0 40 FDAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)cc1 253473017 QZPSFUJOFZKVBM-HNNXBMFYSA-N 357.362 1.708 0 40 FDAB Cc1cc(F)ccc1CC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257281334 OORYVODEEQQJEM-AWEZNQCLSA-N 359.401 1.890 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC 257343565 ZTMOUIIBOHLRLP-QAPCUYQASA-N 364.442 1.120 0 40 FDAB O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@](O)(CN2CCOCC2)C1 257225996 FISBXPWBONTDRK-NRFANRHFSA-N 358.482 1.404 0 40 FDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cccc(C)n2)C1 257265950 MAZQYHWGWUBWPM-FQEVSTJZSA-N 354.454 1.884 0 40 FDAB CC(=O)NCc1cnc([C@@H]2CCN(Cc3nc4ccccc4n3C)C2)[nH]1 257247067 IXGFQKRCVIZSSQ-CQSZACIVSA-N 352.442 1.922 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H]2NCCCCC[C@H]21 257257221 KOPRXXAFUIBNSM-DGCLKSJQSA-N 352.485 1.987 0 40 FDAB Cc1noc(-c2cncnc2NCCc2ccc(S(N)(=O)=O)cc2)n1 253406462 UMMKXFMHSNQCBF-UHFFFAOYSA-N 360.399 1.137 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)cn1 257223955 DZRDJDNTYWRTJT-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB COc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCOC2)c(Cl)cc1C(=O)O 281093717 VPWDZKPPHREOTD-BDAKNGLRSA-N 363.819 1.750 0 40 FDAB Nc1noc2cc(CNC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc12 627798788 BTBQFQFGXRTURV-UHFFFAOYSA-N 353.382 1.904 0 40 FDAB O=S(=O)(CCc1c(F)cccc1F)N1CCCC[C@@H]1c1nc(O)n[nH]1 632436103 CNHONFSWYGYRSQ-CYBMUJFWSA-N 372.397 1.888 0 40 FDAB Fc1ccc(-n2ccc(CN3CCO[C@@H](Cn4ccnn4)C3)n2)c(F)c1 639857251 ZVPHFQIGRILTKR-OAHLLOKOSA-N 360.368 1.643 0 40 FDAB CCCN1CCN(Cc2nnc([C@@]3(OC)CCOC3)o2)C(C)(C)C1=O 644271307 SWGCLBDERQBHFV-QGZVFWFLSA-N 352.435 1.164 0 40 FDAB CCn1c(=O)c(Sc2nnnn2C[C@H]2CCCO2)nc2ccccc21 656109434 ZBYPEAFPJWOSHN-LLVKDONJSA-N 358.427 1.733 0 40 FDAB CN(Cc1nnc2n1CCOCC2)C(=O)CCc1cccc(F)c1F 1615547072 JEFYGTJJFCPLTN-UHFFFAOYSA-N 350.369 1.720 0 40 FDAB CN(C)S(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099912 SQWIXWNBBHDLDQ-UHFFFAOYSA-N 358.514 1.800 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCc2ccncc2OCc2ccccc2)CCO1 666546315 DCWWMOBYBBDXER-KRWDZBQOSA-N 371.393 1.656 0 40 FDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@@H]12 585109408 NPLULTQCAPCIDT-OAGGEKHMSA-N 364.467 1.520 0 40 FDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCC2CCCCC2)C1 585291383 OMQJMFNYGWDWIP-CTNGQTDRSA-N 360.498 1.723 0 40 FDAB CCCS(=O)(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 673965374 FVDDWKWNNPNLDZ-GJZGRUSLSA-N 365.455 1.331 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)N1 29656200 BBLHJTAPVJNJBV-UHFFFAOYSA-N 370.434 1.553 0 40 FDAB Cc1ccnn1-c1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)cc1 685941854 JOZPUBCIRVBRNT-DLBZAZTESA-N 353.382 1.480 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1CCN1C(=O)c2ccccc2C1=O 54991302 WKQISEVGQPHQOI-ZDUSSCGKSA-N 369.343 1.426 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)CC1 56999091 FWHKGCIGBSTWDE-XHSDSOJGSA-N 373.563 1.531 0 40 FDAB Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 93454983 OOAGRIXSPRXWMF-GOSISDBHSA-N 352.442 1.946 0 40 FDAB O=C(Cn1cccn1)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615153075 AFZQXAPLSGXBBC-LJQANCHMSA-N 372.400 1.447 0 40 FDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965894 ODCGPMZAQWMGMF-UHFFFAOYSA-N 369.278 1.519 0 40 FDAB O=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc(-c2ccncc2)n[nH]1 12115828 QDVOIMIEZOKSOR-HNNXBMFYSA-N 362.393 1.400 0 40 FDAB CN(C)c1ncc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)cn1 12203615 RXOMPKMYQDINIA-CQSZACIVSA-N 357.414 1.304 0 40 FDAB Cc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 13001891 BIRANVLERCIUKN-UHFFFAOYSA-N 352.441 1.516 0 40 FDAB CC(=O)N1CCc2nc([C@@H]3CCCN3CC(=O)N3CCCCC3)ncc2C1 19018592 VDRSTEHXHCJYME-SFHVURJKSA-N 371.485 1.531 0 40 FDAB O=C1NC[C@]2(CCCN(C(=O)Cc3ccccn3)C2)Oc2ccccc21 19374776 ZBQKBJSFKPLGGJ-FQEVSTJZSA-N 351.406 1.808 0 40 FDAB COC(=O)[C@@H](NC(=O)[C@H]1CN(C)C[C@@]12CCc1ccccc1C2=O)C(C)C 19445271 NZOYZBFGZLDSBD-WWMYMODYSA-N 372.465 1.677 0 40 FDAB Cc1nc2cc(C(=O)N3CCC[C@]3(C)C(=O)N3CCOCC3)ccc2[nH]1 19746787 ZUERXBSHOLEKFT-LJQANCHMSA-N 356.426 1.725 0 40 FDAB Cn1c(=O)c2cc(C(=O)N[C@H]3CCc4c(O)cccc43)sc2n(C)c1=O 556140564 CPCDNNQJYDTYAV-LBPRGKRZSA-N 371.418 1.422 0 40 FDAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(CC(N)=O)C[C@H]32)cc1 19557295 KQWOPPOJCAHZAE-FHWLQOOXSA-N 371.481 1.597 0 40 FDAB CCN(C(=O)CSc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 4830101 WTPGRNWFNBYIEB-NSHDSACASA-N 353.469 1.691 0 40 FDAB Cc1ccc(CNC(=O)Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)cc1 6653101 HHZIWEDRIFJLGF-UHFFFAOYSA-N 364.471 1.375 0 40 FDAB O=C1[C@@H]2CN(c3cc(=O)n4ccccc4n3)C[C@H]2C(=O)N1Cc1ccccc1 1888910612 CCUFBMYRIAUSLD-HZPDHXFCSA-N 374.400 1.316 0 40 FDAB Cn1cc(CCC(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)cn1 2056224613 ZHNJBCGYCKKUSE-KRWDZBQOSA-N 371.510 1.624 0 40 FDAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1 1614946984 IAZAKBPETOQYLO-SFHVURJKSA-N 374.416 1.728 0 40 FDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)on3)CC[C@H]21 1565549247 OQCXGFOMWMNAPO-SJORKVTESA-N 362.474 1.419 0 40 FDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC(O)CC2)C3)[nH]1 1565543305 LBBKRINAMKSWNQ-MRXNPFEDSA-N 362.474 1.186 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C2CC2)CC3)cc1 4586280 ORTLBEPIRZTQJR-UHFFFAOYSA-N 364.467 1.745 0 40 FDAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)cc1 4940739 HKRIXQSVLMITEW-LLVKDONJSA-N 360.391 1.867 0 40 FDAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(N)c(S(N)(=O)=O)c2)c1 6784544 CAFXGSKGWPMZJJ-UHFFFAOYSA-N 355.441 1.334 0 40 FDAB O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965647 IAAQOCCCRXOCMY-HNNXBMFYSA-N 356.357 1.185 0 40 FDAB CN1CCOc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2C1=O 38677938 RUOBRCQZQRBZEF-UHFFFAOYSA-N 367.361 1.698 0 40 FDAB CN(C)c1cccc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1 44003621 YPFJAXALGSNXNN-UHFFFAOYSA-N 365.499 1.687 0 40 FDAB C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc2c(cc1=O)CCC2 585412615 KHPXYWDOGMOFNM-CQSZACIVSA-N 353.426 1.037 0 40 FDAB Cc1cc(=O)n2nc(N3CCN(Cc4csc(C)n4)CC3)sc2n1 40039776 SHECOLPHLQNPEO-UHFFFAOYSA-N 362.484 1.547 0 40 FDAB COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)Cn2ccnc2)C(C)C)cc1 40092449 BHLFKDNAOCUVEG-WMLDXEAASA-N 358.442 1.851 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 40153134 OHVXGTWTGXVIRC-GFCCVEGCSA-N 351.403 1.477 0 40 FDAB CCn1c(=O)c(C(=O)NCCCN2CCOCC2)c(O)c2ccccc21 100498593 RJZJCDXCJUAKCB-UHFFFAOYSA-N 359.426 1.179 0 40 FDAB CC(C)Oc1ccc(-c2noc(C(=O)NCCCN3CCOCC3)n2)cc1 20677829 AFJBMFYUWHOBJU-UHFFFAOYSA-N 374.441 1.976 0 40 FDAB Cc1nc(C)c2c(C)c(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)sc2n1 32754705 IDOVEVYRCMUFOH-HNNXBMFYSA-N 353.469 1.924 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)COc1ccccc1 32982398 IDQLVTYVJUTLON-ZFWWWQNUSA-N 350.415 1.274 0 40 FDAB Cc1cccc(C)c1OCCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103234041 FKKLHWHYFZAASM-UOVPBQLFSA-N 368.433 1.606 0 40 FDAB CCOc1ccc(C(=O)CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 22548655 YVNIDBQMMQJLRD-QGZVFWFLSA-N 353.440 1.742 0 40 FDAB COc1ccc(C(=O)NS(=O)(=O)c2cc(OC)ccc2OC)cc1 42298372 GDJWGJQIRHUHEC-UHFFFAOYSA-N 351.380 1.831 0 40 FDAB CC(C)N(CCNC(=O)Cn1cc(Br)ccc1=O)C(C)C 47526253 QZTAEVFXCSVNSV-UHFFFAOYSA-N 358.280 1.846 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)N(CCO)Cc1ccccc1 97286130 NYPYUMOUCGOGFE-UHFFFAOYSA-N 354.453 1.048 0 40 FDAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4349673 YXNBHSFRFDRSLQ-CRWXNKLISA-N 368.430 1.001 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2sc(C)nc2C)CC1 56022485 FIXKLYMCQQBXDW-NSHDSACASA-N 359.517 1.999 0 40 FDAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 7387813 NRNSGNDQRTXLEA-UHFFFAOYSA-N 351.350 1.269 0 40 FDAB O=S(=O)(c1c(F)cccc1F)N1CCCN(C[C@@H]2CCCO2)CC1 58168972 QPQYYMCSZJEBON-ZDUSSCGKSA-N 360.426 1.840 0 40 FDAB NC(=O)C1CCN(CCc2ccc(NC(=O)c3cccc[n+]3[O-])cc2)CC1 58183744 MYCSIKLYUFOPNM-UHFFFAOYSA-N 368.437 1.312 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 58268296 ZBLBVSVKUUBCGA-HUUCEWRRSA-N 373.478 1.910 0 40 FDAB CCCNS(=O)(=O)c1cc(C(=O)NCCCOC(C)C)ccc1OC 9063909 OKFIZCXCDXHBMR-UHFFFAOYSA-N 372.487 1.928 0 40 FDAB Cc1csc(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)n1 85875160 TZQIQTRLYFWZLN-CQSZACIVSA-N 372.450 1.641 0 40 FDAB biogenic CCn1nnnc1SCC(=O)N1CCN(c2ccccc2F)CC1 12542282 MWABUIHAXBFVLS-UHFFFAOYSA-N 350.423 1.273 0 40 FDAB CCOC(=O)c1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 36359609 RMIGEHFZWVGYKA-OAHLLOKOSA-N 367.405 1.928 0 40 FDAB Cc1c(C)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2oc1=O 20533591 MXQKYYMMOJDTQH-UHFFFAOYSA-N 374.437 1.627 0 40 FDAB CCN1CCC(N(C)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 29455335 XMMWQTBLWBNTJM-UHFFFAOYSA-N 369.487 1.758 0 40 FDAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 2620108 FNXGRGZZSJRXTC-GOSISDBHSA-N 361.398 1.753 0 40 FDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 12651193 PUQJFFGQPVSQIB-UHFFFAOYSA-N 351.338 1.956 0 40 FDAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNC(=O)C(C)C)n1 48290601 PFHVNKMXTRNETC-UHFFFAOYSA-N 355.870 1.868 0 40 FDAB CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 3618063 ACMQIAHJQZXOHR-UHFFFAOYSA-N 352.350 1.607 0 40 FDAB CC(C)c1nc([C@@H]2CN(C(=O)C3(O)Cc4ccccc4C3)CCO2)no1 96000809 WJCXAARPYIARRI-HNNXBMFYSA-N 357.410 1.623 0 40 FDAB CN(C)CCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029690 KYMCKMNSDAAQNH-FQEVSTJZSA-N 354.454 1.562 0 40 FDAB biogenic COCCCNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4081880 AKPMDBPBGZKKJH-APPDUMDISA-N 366.439 1.426 0 40 FDAB biogenic CN(C)CCOc1cccc(CNC(=O)c2cnc3c(c2)nnn3C)c1 95468815 AWBWNBRDHJYFBG-UHFFFAOYSA-N 354.414 1.234 0 40 FDAB Cc1cccc(C(=O)N[C@H](C(=O)NCCNC(=O)c2ccco2)C(C)C)c1 39554949 KOFKTRDQSLSTLW-KRWDZBQOSA-N 371.437 1.889 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl 5201032 ZJDDUBAUDKGBIC-UHFFFAOYSA-N 350.183 1.479 0 40 FDAB CNC(=O)NC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C 14016127 YQRDHCKEMHXIGM-UHFFFAOYSA-N 365.367 1.514 0 40 FDAB COc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccs1 14066214 UNPXCKRMBAXAQZ-UHFFFAOYSA-N 354.453 1.742 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14140212 KIBWEFOTQUPWEZ-UHFFFAOYSA-N 355.369 1.878 0 40 FDAB O=C(O)CNC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1 95424996 YURSARFEBQKBIF-HNNXBMFYSA-N 358.325 1.582 0 40 FDAB CCOc1ncccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 6875511 IPOCUCLVXJWKSC-ZDUSSCGKSA-N 364.423 1.903 0 40 FDAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22882287 JHMNATIMHPCJTI-UHFFFAOYSA-N 371.528 1.935 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1=O 5878839 OATMDNAJNBKJQN-UHFFFAOYSA-N 358.354 1.384 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 4968881 PVDPXUQAZGBLHR-UHFFFAOYSA-N 367.427 1.602 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(F)cc1F 8076574 JLZSBFZVUZCXJA-UHFFFAOYSA-N 353.350 1.511 0 40 FDAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1nnc2ccccn12 8327059 OEERVWROFIKCDQ-UHFFFAOYSA-N 356.411 1.172 0 40 FDAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)CC 8767776 ULCNLVMZCBZLBW-CQSZACIVSA-N 354.428 1.616 0 40 FDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 8726260 LJXRHTWOILEXKA-UHFFFAOYSA-N 352.456 1.514 0 40 FDAB Cc1cc(NC(=O)CN2CCN(Cc3nc(CC(C)C)no3)CC2)no1 96991275 FKAAHWOWDBWUFW-UHFFFAOYSA-N 362.434 1.321 0 40 FDAB Cn1cc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)CC2)cn1 74392007 AKXYWPFDOVCNKW-MRXNPFEDSA-N 361.490 1.496 0 40 FDAB CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1n[nH]cc1C(=O)O 548827466 KSMVBHKPRRZKIF-JTQLQIEISA-N 353.400 1.888 0 40 FDAB O=S(=O)(c1cnn(C(F)F)c1)N1CCN(Cc2ccccc2)CC1 36615075 GMWVZSVVEVFTLU-UHFFFAOYSA-N 356.398 1.785 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2)NC1CCCCC1 36354911 JVCQRBAZBLEVIF-UHFFFAOYSA-N 373.388 1.621 0 40 FDAB CN(c1ccc2sc(C(=O)N3CCOCC3)cc2c1)S(C)(=O)=O 46058086 GCVZMZLHBJDADU-UHFFFAOYSA-N 354.453 1.770 0 40 FDAB CC(C)n1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cn1 227168406 IPXKJGTXYZDGME-SNVBAGLBSA-N 350.400 1.984 0 40 FDAB Cc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225846344 UASNXPWIKJGLRA-UHFFFAOYSA-N 354.457 1.920 0 40 FDAB CO[C@@H]1CCN(C(=O)c2cnc(C)cn2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108605 RSTJNQBXSKSJJD-CGTJXYLNSA-N 356.426 1.740 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1 248035438 MQIJBGJNXRYNRX-AWEZNQCLSA-N 371.528 1.712 0 40 FDAB Cc1cc(O)nc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257239694 HQJLBZWXINESJT-HNNXBMFYSA-N 354.414 1.724 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3[nH]cnc3C)CC2)OC[C@]1(C)O 257236420 HCCDQHLJONAWCP-IRXDYDNUSA-N 350.463 1.071 0 40 FDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1ccccc1F 257212950 CFNZISWDHCXARE-IBGZPJMESA-N 358.417 1.648 0 40 FDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3ccccc3n1)C2 253386419 WRTGPYYHABOQSZ-HNNXBMFYSA-N 374.462 1.901 0 40 FDAB COc1c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2nn1C 85558318 ULXFRQDYBSMFKZ-UHFFFAOYSA-N 351.410 1.939 0 40 FDAB CN(C(=O)c1ccc(OCCCN)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257208450 BMEUALXKHGCWSY-KZNAEPCWSA-N 358.442 1.447 0 40 FDAB O=C(CN1CCCC1=O)N1CCC(N2CCc3ccccc3C2=O)CC1 257231635 GHOXCSSKWACHJQ-UHFFFAOYSA-N 355.438 1.298 0 40 FDAB Cc1cccc([C@H](C)C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 606845222 VGLMYVRDCQWQHI-FUHWJXTLSA-N 359.470 1.148 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCc2ccn(CC)n2)[C@H]1c1nccn1C 616258800 DZEIWEFEGYVZOT-HOCLYGCPSA-N 358.446 1.253 0 40 FDAB CC[C@@H]1OC2(CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)NC1=O 1615592471 UFKWUVGADUPHDI-INIZCTEOSA-N 354.410 1.730 0 40 FDAB O=C(O)c1ccccc1C1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 666551890 KMRHMBBMQJCLDY-CQSZACIVSA-N 359.426 1.800 0 40 FDAB CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1 1775996361 DMNNQIYGJQXSJG-IXWNZZHASA-N 374.441 1.332 0 40 FDAB CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@]2(COC)C(=O)O)c1 647927455 OWTZGOMVYCBEGY-INIZCTEOSA-N 355.412 1.534 0 40 FDAB Cc1ncsc1C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390829145 CZXBWAMXHGCOHS-UHFFFAOYSA-N 371.422 1.739 0 40 FDAB Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@H]2C)no1 585098663 WKPZOEIZOPRSRT-CYBMUJFWSA-N 354.414 1.995 0 40 FDAB COc1ncccc1CN1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 585112856 WCZOCMAIMCPTPH-QGZVFWFLSA-N 370.457 1.649 0 40 FDAB O=C(Cc1ccccc1)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 585262309 SAWWMRKRVNHGGI-HNBVOPMISA-N 359.397 1.816 0 40 FDAB COCCNC(=O)Cn1cc(NC(=O)NCc2cccc(Cl)c2)cn1 72309765 FDBRNMUAVLAWAG-UHFFFAOYSA-N 365.821 1.621 0 40 FDAB COc1ccc(Cl)cc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 38745302 JJAXIJNSBFOMPS-ZDUSSCGKSA-N 372.874 1.294 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1 5918195 GMXKKJAXDIZPPK-UHFFFAOYSA-N 371.365 1.016 0 40 FDAB C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12085928 OWEFWYKQVSAIKX-RBZFPXEDSA-N 373.453 1.821 0 40 FDAB CCc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 13465482 GSDLPPZTQOCNCB-RSJGLCBASA-N 365.426 1.370 0 40 FDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1Cl 16692409 YYJNOZGFAUFJFS-UHFFFAOYSA-N 360.863 1.982 0 40 FDAB CCc1ncc(CNC(=O)[C@H]2CCC(=O)N(CC)[C@@H]2c2nccn2C)o1 615975434 AOFFAWXWHQUFTM-BBRMVZONSA-N 359.430 1.587 0 40 FDAB N[C@H](c1cn(C[C@@H](O)COCc2ccccc2Cl)nn1)[C@H]1CCCO1 641196531 FUXLAMHVHJHKOZ-KBRIMQKVSA-N 366.849 1.688 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 643720542 HOTNMLKPAFJGFZ-MRXNPFEDSA-N 350.806 1.857 0 40 FDAB CCCN1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 9660749 GYFOJVHQEUPFCB-UHFFFAOYSA-N 372.469 1.142 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 252536185 HURURZYGJIPZTG-JOCQHMNTSA-N 370.406 1.889 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 7988514 VYBXVDBBSUJEJL-UHFFFAOYSA-N 353.426 1.876 0 40 FDAB Cc1cc(CN2CC[C@H](N(C)C3=NS(=O)(=O)c4ccccc43)C2)on1 1888875805 ZDSJUHGTKSTJEF-ZDUSSCGKSA-N 360.439 1.638 0 40 FDAB CCN=c1nc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc(C)[nH]1 1889128454 WDTRPECTAZBTBY-UHFFFAOYSA-N 360.506 1.019 0 40 FDAB O=C([C@H]1CC=CCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23541350 BMWDGTZAYKKUOH-MAUKXSAKSA-N 356.422 1.854 0 40 FDAB CC(=O)Nc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 2037971360 VRDYBKKUGKXRQI-JSXRDJHFSA-N 370.449 1.155 0 40 FDAB CS(=O)(=O)CCC(=O)N1CCCC2(CCN(c3cncnc3)CC2)C1 1565556676 YWMCOFLKMWZPFE-UHFFFAOYSA-N 366.487 1.120 0 40 FDAB Cc1cccc(CN2CC3(CCN(C(=O)c4ccnn4C)CC3)CC2=O)n1 1565546285 XSNUGHPWMBOCCO-UHFFFAOYSA-N 367.453 1.778 0 40 FDAB CCOC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569926 JXWHYSQNLOAFBT-UHFFFAOYSA-N 359.423 1.024 0 40 FDAB Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccco2)c3=O)cc1 12233788 QUKGRXUPGAJAAY-UHFFFAOYSA-N 351.366 1.621 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccc2)CC1 2055773077 SIFHXVJFYAYCIQ-UHFFFAOYSA-N 370.453 1.206 0 40 FDAB CC(C)CC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2cccn2)CC1 2055713233 JLMKJGXXWBFQCG-UHFFFAOYSA-N 358.446 1.041 0 40 FDAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)cn1 2055747286 VNGSIDDAEIRMOL-CGTJXYLNSA-N 369.421 1.919 0 40 FDAB Cn1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)c1=O 49511066 BXDDIFVYOZRQMS-UHFFFAOYSA-N 351.406 1.932 0 40 FDAB CCN1CCN(C(=O)N2CC[C@H](c3ccc4c(c3)CCO4)C2)C(=O)C1=O 585149115 YSCZEJBMIXHBRH-HNNXBMFYSA-N 357.410 1.222 0 40 FDAB Cc1ccc(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1C 40040044 YHKBXCFKLFHFSE-UHFFFAOYSA-N 364.453 1.871 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 40089967 OQYUIFVMPGMGBC-UHFFFAOYSA-N 355.486 1.966 0 40 FDAB CCCOC(=O)c1cccc(NC(=O)CSc2nc(=O)[nH]nc2C)c1 31773536 ZFVSVPNMTWWRDE-UHFFFAOYSA-N 362.411 1.771 0 40 FDAB Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3C)cc1 20560417 HZSYIEXQQHHZDU-UHFFFAOYSA-N 367.457 1.530 0 40 FDAB COc1ccc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101257737 MECZODGKPVYBGH-GVAFMPQTSA-N 355.394 1.624 0 40 FDAB aggregator O=C(CN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1)NC1CC1 22931731 CSPKSDPTJRMZEL-FUHWJXTLSA-N 362.518 1.064 0 40 FDAB CC(C)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851775 XOXKYQGYFWLWEZ-UHFFFAOYSA-N 355.398 1.196 0 40 FDAB biogenic Cc1csc2nc(CNc3cccc(-c4nnnn4C)c3)cc(=O)n12 25705148 BJDAYFNUCYXTHQ-UHFFFAOYSA-N 353.411 1.867 0 40 FDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107327782 WBYNZFZKBYPXCB-FBUXBERBSA-N 361.442 1.704 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 107367686 XYLGRONKQWAZGL-KWCYVHTRSA-N 358.410 1.609 0 40 FDAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 57999113 CMVFZZHJHULNTD-NSHDSACASA-N 369.468 1.133 0 40 FDAB CCS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 58048870 ZDQKPXAUPLUTLL-HIFRSBDPSA-N 372.874 1.574 0 40 FDAB CCCn1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cn1 100737928 XFRLOJXJKFHZFX-ROUUACIJSA-N 371.485 1.716 0 40 FDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)ccc21 58182578 MSGZLRWRILJSOT-ZDUSSCGKSA-N 364.405 1.869 0 40 FDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccnc(F)c2)cc1 58139588 FBZJOBJESBTCBJ-UHFFFAOYSA-N 358.373 1.744 0 40 FDAB COc1cc(OC)c2c(C)c(CC(=O)NCCCC(=O)O)c(=O)oc2c1 2118647 MFXSGSHCAQKMLG-UHFFFAOYSA-N 363.366 1.642 0 40 FDAB biogenic CCOC(=O)N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 36413008 CSNWXUMCRMQUKW-UHFFFAOYSA-N 360.458 1.999 0 40 FDAB Cn1c(CSc2nncn2CCc2cccs2)cc(=O)n(C)c1=O 11107775 VQTRDVYROOBVMD-UHFFFAOYSA-N 363.468 1.272 0 40 FDAB COC(=O)CCCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 29777228 UBRRXJVRYMKJFD-UHFFFAOYSA-N 374.434 1.586 0 40 FDAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(C[C@@H](O)CO)c(=O)c12 11990434 XGMKQJITEVAIKP-GFCCVEGCSA-N 359.407 1.372 0 40 FDAB O=C(COC(=O)c1cc[n+]([O-])cc1)NC(=O)c1ccc(OC(F)F)cc1 2640376 OSSRQZFJUBVDCF-UHFFFAOYSA-N 366.276 1.035 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O 12647829 UMQXJMUFMMPFAH-UHFFFAOYSA-N 355.398 1.003 0 40 FDAB CCCc1sc(C(=O)NCCN2CCS(=O)(=O)CC2)cc1CC 48251905 LDFLIYGBQXJSSV-UHFFFAOYSA-N 358.529 1.723 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(=O)NCc1cccs1 24425099 DXIRMUDYZVQQHX-UHFFFAOYSA-N 359.329 1.955 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12808551 GIWRAMVETNHTPF-DGCLKSJQSA-N 365.503 1.818 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 3436668 YVVFOLRWTJVYGY-UHFFFAOYSA-N 357.318 1.982 0 40 FDAB NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3occc32)c1 12944025 BRUAACBXNKQBJJ-ZDUSSCGKSA-N 356.425 1.283 0 40 FDAB Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 13115744 WYEBVMZZGRCMHZ-UHFFFAOYSA-N 373.844 1.736 0 40 FDAB CN(C(=O)CSc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 5018774 VJJNKNCYMKSENT-NSHDSACASA-N 357.453 1.195 0 40 FDAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1 408645258 KTGNRGHLEIXFBB-UHFFFAOYSA-N 371.271 2.279 0 40 FDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6201359 MCZDSTGVAJQERO-CHWSQXEVSA-N 358.394 1.615 0 40 FDAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 6608161 XRCDASWNVSMKMV-LLVKDONJSA-N 372.377 1.987 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@H](COc3ccccn3)CCN2C)C1 306131542 KIERFKXSSYBHCE-OAHLLOKOSA-N 353.488 1.595 0 40 FDAB C[C@@]1(C(=O)N2CCN(c3ncccn3)CC2)Cc2ccccc2C(=O)O1 6848718 XTBJVPBMAWGPRI-IBGZPJMESA-N 352.394 1.297 0 40 FDAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 7124781 ROGSFOHVLLLVKT-LJQANCHMSA-N 359.426 1.265 0 40 FDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306129879 IPNPLEUKSVEYII-HNNXBMFYSA-N 359.455 1.471 0 40 FDAB CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7724432 MHISZLOYYHNMML-LBPRGKRZSA-N 373.906 1.804 0 40 FDAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C2)n1 68714424 VYITZSIITDTDFP-NSHDSACASA-N 364.352 1.792 0 40 FDAB COC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408602224 IKEOWGPSPGHBQK-KBPBESRZSA-N 372.487 1.539 0 40 FDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 8423922 CLZPFTOHYWXNLT-CWTRNNRKSA-N 372.425 1.485 0 40 FDAB COc1ccc(Cn2c(O)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 27792821 PFHOLFGUPJVEJD-UHFFFAOYSA-N 368.389 1.829 0 40 FDAB COc1ccc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cn1 95999897 PFJLMGFHQCBQRD-UHFFFAOYSA-N 361.423 1.034 0 40 FDAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1 89904583 KRBXUQNHRDMXHV-IAQYHMDHSA-N 372.487 1.845 0 40 FDAB CN(Cc1ccc(Cl)nc1)C(=O)Cc1csc(N2CCNC2=O)n1 76341830 PGHOMYWSHWZMRF-UHFFFAOYSA-N 365.846 1.922 0 40 FDAB CCOc1cccc2c(C)nc(NC3=NCN(CCCOC)CN3)nc12 20634397 NJBZRNVLZDWSLI-UHFFFAOYSA-N 358.446 1.962 0 40 FDAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)N3CCOCC3)CS[C@H]21 2160121 MUKKACSUTKWROH-PIGZYNQJSA-N 364.423 1.132 0 40 FDAB biogenic COc1cc2c(cc1OC)CCN(C[C@@H](O)COC[C@@H]1CCCO1)CC2 517856175 HOLYVZWZSPWGMM-MSOLQXFVSA-N 365.470 1.661 0 40 FDAB CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)CCN1Cc1ccccc1 185331616 YPJMLFBZDVHORC-LJQANCHMSA-N 373.497 1.748 0 40 FDAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(N)=O)c2=O)cc1C 72344594 QFFNHWAVFPQMBL-KRWDZBQOSA-N 353.422 1.928 0 40 FDAB COCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 72265444 UDNCFIVCAZYWEZ-IRXDYDNUSA-N 366.483 1.347 0 40 FDAB O=C1C[C@H](Sc2ncn[nH]2)C(=O)N1c1ccc(Br)cc1 199207387 KYQOKLUCRMSUSB-VIFPVBQESA-N 353.201 1.991 0 40 FDAB CN1C[C@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)C1=O 96161383 ASMFKANHLCLVHP-QGZVFWFLSA-N 357.454 1.777 0 40 FDAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2nccn2CC(F)(F)F)C1=O 535127271 DNGNJSYZHXMINC-CQSZACIVSA-N 370.335 1.536 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cccc3[nH]ccc23)[C@@H]1c1nccn1C 578892777 BNLHMUQQLTZATK-YVEFUNNKSA-N 351.410 1.851 0 40 FDAB COc1cccc(NC(=O)N2CC[C@@H]3CN(C)S(=O)(=O)[C@@H]3CC2)c1 96145584 VLWDXIYGPSLAMJ-IUODEOHRSA-N 353.444 1.583 0 40 FDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1ccsc1)C2 96230499 BBTWHOXPCLSRCH-SFHVURJKSA-N 356.451 1.706 0 40 FDAB O=C(c1cnc2cnc(Br)cn12)N1CCC[C@@](F)(CO)C1 583650871 IDKHAMAHOFPZEY-ZDUSSCGKSA-N 357.183 1.428 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3ccccn3)C2)CN1c1ccc(F)cc1 96051312 DSSSNIXWWWNSIC-HXUWFJFHSA-N 371.412 1.855 0 40 FDAB Cc1csc(CN2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)n1 247977161 VQHHMRNJXZMUMF-ZDUSSCGKSA-N 371.528 1.514 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1 257212796 CEYYTSOUQUXVTK-APWZRJJASA-N 370.453 1.879 0 40 FDAB CN(C(=O)COc1ccc(F)cc1F)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257243523 IHJMKVDPVYDWHE-IIDMSEBBSA-N 370.396 1.026 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257279518 OGZJJHUAOSYJAJ-ZEEWZRGFSA-N 371.437 1.654 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](CCc2cc(O)ncn2)C1 257239004 HNNJYYYQRSSDDT-CYBMUJFWSA-N 357.414 1.258 0 40 FDAB O=C(CN1CCC(N2CCc3ccccc3C2=O)CC1)N1CCOCC1 257254226 KCGHUELQQLQUTC-UHFFFAOYSA-N 357.454 1.008 0 40 FDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccc(F)c1 257229989 GAGADVFLRQAHEU-IBGZPJMESA-N 358.417 1.648 0 40 FDAB C[C@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)cn2)CCO1 257312030 UMDMWKIVRMUWMZ-LJQANCHMSA-N 355.394 1.523 0 40 FDAB CCn1ccnc1C(=O)Nc1ccccc1OCCN1CCN(C)CC1 585085517 YOQYWANLUMHSMR-UHFFFAOYSA-N 357.458 1.782 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1cccc(C)c1 257281724 OQRDBNJZWROOPM-QUCCMNQESA-N 373.497 1.743 0 40 FDAB C[C@H]1CCCCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)C1 648340043 KXUDCCBNBSKIFB-LBPRGKRZSA-N 354.428 1.312 0 40 FDAB NC(=O)[C@H](CNC(=O)C[C@H]1NCc2ccccc21)Cc1ccc(F)cc1 662407460 CIVICLXDJOQNNN-MAUKXSAKSA-N 355.413 1.821 0 40 FDAB Cc1c(NS(=O)(=O)c2cnc(C(C)C)[nH]2)cccc1-n1cnnc1O 685903204 ZXMPELXNQUSMOB-UHFFFAOYSA-N 362.415 1.929 0 40 FDAB CC(=O)N(CC(=O)Nc1cccc(C(=O)NC(N)=O)c1)c1ccccc1 1627830031 ZIDNCUAICGEONE-UHFFFAOYSA-N 354.366 1.487 0 40 FDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1 618766704 PVFNLDPJSSHCER-INIZCTEOSA-N 364.348 1.741 0 40 FDAB Cc1nc(C)c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[nH]1 621281621 CLTZROGNWKPNSA-UHFFFAOYSA-N 359.405 1.562 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)N2CCCn3nccc32)[C@H]1c1nccn1C 622792062 IWTNCRIMAATWKT-BBRMVZONSA-N 356.430 1.353 0 40 FDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)C4CC(O)C4)C3)C2=O)n1 585101039 YIXQZWUPHXSZQD-MKJPBZQASA-N 357.454 1.502 0 40 FDAB O=C1CN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CCN1 53850352 SWTOWZLFZIKMNW-UHFFFAOYSA-N 372.808 1.908 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2cn(C)c3ccccc23)NC(=O)N[C@H]1C 5261552 ZJANFAMSQNMYLH-NSHDSACASA-N 371.393 1.854 0 40 FDAB Cn1cc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cn1 12143373 KBROLHIFBNMBNH-LJQANCHMSA-N 366.469 1.558 0 40 FDAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCS(=O)(=O)CC1 12187315 XUXMPLKFLKYNSA-UHFFFAOYSA-N 357.382 1.621 0 40 FDAB CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(c3ccc(F)cc3)CC2)n1 14608517 FOXVWHJENDTRBZ-UHFFFAOYSA-N 360.389 1.341 0 40 FDAB COC(OC)c1[nH]c(N)nc(=O)c1Cc1ccc(Br)cc1 16977912 NWWCUFXGTLOBTL-UHFFFAOYSA-N 354.204 1.997 0 40 FDAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCN1C(=O)CCNC1=O 19717005 LHAPGNABACKEGZ-UHFFFAOYSA-N 359.361 1.497 0 40 FDAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cc3n(n2)CCCO3)C1 225506766 ZQVCNFUKAGEIOX-ZDUSSCGKSA-N 372.429 1.205 0 40 FDAB O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238811220 AIZIECPDKXQNDH-KFWWJZLASA-N 361.423 1.214 0 40 FDAB O=C(CSc1nncs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 6847073 LJWDXKMDHYZTAT-LLVKDONJSA-N 361.514 1.589 0 40 FDAB CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 6948644 XSCNXVWGWSGUJO-UHFFFAOYSA-N 357.432 1.248 0 40 FDAB 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0 40 FDAB CCOC(=O)CN1C(=O)C(=O)N(c2ccc(OC)c3ccccc23)C1=O 1639040 QLYJIGRAKDGNNG-UHFFFAOYSA-N 356.334 1.707 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cnn(C)c3C)CC2=O)cc1 25004195 GDLMHXMPEQBWBD-TZMCWYRMSA-N 356.426 1.967 0 40 FDAB COCCNC(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1 3550113 ZMCPPXOLQKBCGL-UHFFFAOYSA-N 362.382 1.790 0 40 FDAB COC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H](N)CC(=O)O 6002237 QSLZIGAHAQCYFC-ROMFNMHRSA-N 352.431 1.053 0 40 FDAB O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 44578612 IAPUYGCNHKSABC-WBVHZDCISA-N 372.446 1.917 0 40 FDAB CN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 95352941 VVRMJXVFMKADDV-GQCTYLIASA-N 370.247 1.288 0 40 FDAB CC(=O)N[C@H]1C(=O)N(CCS(=O)(=O)c2ccccc2)c2ccccc21 101415790 VJYNXHWQZGXJOP-QGZVFWFLSA-N 358.419 1.684 0 40 FDAB COc1cccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)c1 12569246 PJGISHANAKVTRP-UHFFFAOYSA-N 359.426 1.956 0 40 FDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 10795601 IESKGCYKRNRZOT-LBPRGKRZSA-N 354.428 1.138 0 40 FDAB 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1.298 0 40 FDAB Cc1cc(NC(=O)Cn2nnc(-c3cccc(C(=O)OC(C)C)c3)n2)no1 13988125 PLSFSUDYVVPAQR-UHFFFAOYSA-N 370.369 1.840 0 40 FDAB CNC(=O)NC(=O)[C@@H](OC(=O)c1n[nH]c2ccccc12)c1ccccc1 6370965 KQNPHWKDTDWRMU-HNNXBMFYSA-N 352.350 1.917 0 40 FDAB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCN(c2ncccn2)CC1 14229979 OUNURWZEVJIWKJ-UHFFFAOYSA-N 367.331 1.775 0 40 FDAB CC(C)OCCCNC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 5484971 ZUONJFAMKXSNPL-UHFFFAOYSA-N 373.457 1.887 0 40 FDAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 6508501 LZSBDRCRXROHFV-UHFFFAOYSA-N 353.422 1.779 0 40 FDAB CCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21 6553232 FXIOAVFSVZAJGA-UHFFFAOYSA-N 373.438 1.954 0 40 FDAB CCOC(=O)N1C=CC(C)=C[C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N21 4649460 GZGWASQYURNJLM-HUUCEWRRSA-N 367.361 1.709 0 40 FDAB CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6673089 MGESCJIANLKUIZ-CHWSQXEVSA-N 354.453 1.325 0 40 FDAB Cn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 15097122 AFUKFUYRAIVGJN-UHFFFAOYSA-N 362.455 1.525 0 40 FDAB 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0 40 FDAB CCCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccncc2)C1 96227583 BUNXXQDEGKHLST-NVXWUHKLSA-N 351.472 1.540 0 40 FDAB Cc1nnc(N2CCOC[C@]3(CCCN(CC4CCOCC4)C3)C2)o1 96049703 FVMIXBNFWCEADZ-SFHVURJKSA-N 350.463 1.723 0 40 FDAB Cc1cc(N2CCCCC2)nc(CNC(=O)CNC(=O)c2ccccc2)n1 96120819 UMZSPVWIWWFASU-UHFFFAOYSA-N 367.453 1.822 0 40 FDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95476670 AFXBZVCDVMBTNZ-OLZOCXBDSA-N 373.432 1.655 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(O)c2)c2c(O)n[nH]c2C[C@]1(C)O 248146218 WWEOPSIWOFOHFC-XUWXXGDYSA-N 362.382 1.448 0 40 FDAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@](O)(CN2CCOCC2)CC1 257342500 ZOZAQGIIMQBFBS-IBGZPJMESA-N 358.442 1.252 0 40 FDAB COCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccn1 253473388 USIYZPJKCIMJFP-INIZCTEOSA-N 358.394 1.621 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2cnccn2)C3)nc1 253600616 UMULMOBRVJMWCY-AWEZNQCLSA-N 354.414 1.308 0 40 FDAB O=C(CCc1cccs1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257341075 ZITAHFCDKDBQBP-JFIYKMOQSA-N 352.500 1.801 0 40 FDAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cn(C)cn3)cc21 96025624 ZADWHTHXAHFCPP-UHFFFAOYSA-N 364.427 1.147 0 40 FDAB O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575402596 CHUXXKRUEJGZIF-QGZVFWFLSA-N 354.410 1.845 0 40 FDAB COc1cc(C(=O)N2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)ccn1 585277868 WZWBQMSKRICLHF-NVXWUHKLSA-N 369.421 1.875 0 40 FDAB CNC(=O)C[C@]1(COC)CN(C(=O)c2cccc3cccnc23)CCO1 585278212 NGYCXDRVHPPTEL-LJQANCHMSA-N 357.410 1.229 0 40 FDAB Cc1cccn2cc(CCNC(=O)c3cccc(Nc4nn[nH]n4)c3)nc12 1545163375 DRAPRGJGDXSKLZ-UHFFFAOYSA-N 362.397 1.872 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C)c(C)s2)CCO1 681942413 ABWMWVKIZQRJFH-CYBMUJFWSA-N 354.428 1.139 0 40 FDAB Cc1nc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)no1 301278901 LRABVMWGIQZNPQ-UHFFFAOYSA-N 368.323 1.157 0 40 FDAB Cn1ccnc1SC(C(=O)N1CCCCC1)C(=O)N1CCCCC1 5642209 ZIJKUTWAQADRGP-UHFFFAOYSA-N 350.488 1.906 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 5884102 YVFWBFNLXYTRIG-BFUOFWGJSA-N 359.426 1.812 0 40 FDAB Cc1cnn(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 19239890 QZMVHVOPHHTDOY-OAHLLOKOSA-N 364.409 1.353 0 40 FDAB O=C(c1cccs1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 19375871 TZVZWEYFIJOUDT-UHFFFAOYSA-N 354.435 1.943 0 40 FDAB CCn1ncc(S(=O)(=O)NC2(CN3CCOCC3)CCCCC2)c1C 19524029 MABUOLIWMDAFCA-UHFFFAOYSA-N 370.519 1.525 0 40 FDAB Cc1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)nc(N2CCOCC2)n1 19718711 DUFBTOUUMZTWLC-GFCCVEGCSA-N 372.473 1.333 0 40 FDAB CCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)S[C@@H](C)C2 4035314 SHRXVYJACCCYQU-JTQLQIEISA-N 355.485 1.251 0 40 FDAB Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cs1 21604372 KMBDDPQZVPUUBC-SSDOTTSWSA-N 353.425 1.725 0 40 FDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)nn1 1888859913 QCHVDWBZFJAYID-ZIAGYGMSSA-N 352.442 1.773 0 40 FDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)Nc5ccccc5)C[C@H]4C3)ncnc21 1888921683 XPKOURMLRQWFEP-OKILXGFUSA-N 363.425 1.963 0 40 FDAB c1cc2sc(N3CCCN(c4ccc5nncn5n4)CC3)nc2cn1 1565520892 ZOEZVLINRXMALE-UHFFFAOYSA-N 352.427 1.846 0 40 FDAB COC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC 713190 AMJHCOISINQYKP-AWEZNQCLSA-N 350.396 1.204 0 40 FDAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1 17178647 KZLCECKRRDETSW-GOSISDBHSA-N 353.422 1.815 0 40 FDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)C2CC(F)(F)C2)CC1 2055747094 HATFHHVDDPQXQB-UHFFFAOYSA-N 369.416 1.327 0 40 FDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 1575539 QGZDXQHLEQAGJB-MRXNPFEDSA-N 355.394 1.126 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C1 40161717 UVVTZHDCHIQCAL-SECBINFHSA-N 362.213 1.352 0 40 FDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccccc2Cl)c1 40285479 WKJTUXKQOLOUQS-UHFFFAOYSA-N 370.800 1.879 0 40 FDAB COC(=O)c1cn(CC(=O)Nc2nc(CC(N)=O)cs2)c2ccccc12 21496119 WIZFURJULYVNHL-UHFFFAOYSA-N 372.406 1.551 0 40 FDAB CCN1CCN(CC2=C(C(=O)OC)[C@H](c3ccc(C)cc3)NC(=O)N2)CC1 22587478 BCRGIOCTUNJHRX-SFHVURJKSA-N 372.469 1.414 0 40 FDAB O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 9186278 WUMZBCBQRFQCTE-UHFFFAOYSA-N 366.402 1.710 0 40 FDAB C[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)C1 1330596 BNPQEPCUEGOSDO-CYBMUJFWSA-N 369.400 1.980 0 40 FDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NC(=O)Nc1ccccc1 24836176 OLCQITNMPZVJDM-UHFFFAOYSA-N 372.772 1.431 0 40 FDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCOC(C)=O)cc1 2949692 WTOOKYNKSNOGRD-VBKFSLOCSA-N 372.377 1.738 0 40 FDAB CCN1CCN([C@H]2CCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)CC1 106807223 XICAXERECZDFEL-HNNXBMFYSA-N 374.514 1.396 0 40 FDAB Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 25209932 XZINEXZFEIKGPA-UHFFFAOYSA-N 369.487 1.105 0 40 FDAB Cc1cccc(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 26025126 TUZYETFIBUARDL-UHFFFAOYSA-N 351.414 1.361 0 40 FDAB CCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 9111380 UQOOJIZRRMHMDH-BEFAXECRSA-N 357.410 1.313 0 40 FDAB O=S(=O)(Nc1ncccn1)c1ccc(I)cc1 8764181 DPCOAILNZUGFGC-UHFFFAOYSA-N 361.164 1.882 0 40 FDAB Cc1ccn(CCNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)n1 44892454 DWHQJSOSXYFUCZ-UHFFFAOYSA-N 354.370 1.305 0 40 FDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC)cc1 58201443 BSGSQCRTBKXPTO-AWEZNQCLSA-N 353.444 1.324 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228286 WRURTRJEMGQBQX-HNNXBMFYSA-N 373.409 1.775 0 40 FDAB CCCCc1ccc2[nH]cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c2c1 44901788 BJKJONHSXXMXSE-ZDUSSCGKSA-N 362.451 1.788 0 40 FDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 58019634 QUUMXIFIJILUCT-HNNXBMFYSA-N 367.515 1.595 0 40 FDAB COC(=O)CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101367999 RQJLEWHOKLTCMJ-OKILXGFUSA-N 357.410 1.492 0 40 FDAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 24258494 JCUNGYMNLWUQKU-ZDUSSCGKSA-N 368.480 1.634 0 40 FDAB COC(=O)CCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 29777227 LWPCZRJQMCAHPG-UHFFFAOYSA-N 372.418 1.293 0 40 FDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)c1 100377211 WKKAPEKUXJUAHC-SPLQCWDRSA-N 357.362 1.059 0 40 FDAB Cc1ccc([C@@H](CNC(=O)CCN2CCSC2=O)N2CCOCC2)o1 48261064 QVOLZNBMTSEBLH-CQSZACIVSA-N 367.471 1.636 0 40 FDAB CC(C)c1noc(CCCNC(=O)N2CCN(C3CCOCC3)CC2)n1 83204453 MQCAYQQABSNZIC-UHFFFAOYSA-N 365.478 1.632 0 40 FDAB O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)NCC(F)(F)F 3531484 VJZOYFJMANBQQC-UHFFFAOYSA-N 369.299 1.127 0 40 FDAB CN(Cc1cccs1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 12989652 XEIGABQZHSTQMJ-OAHLLOKOSA-N 360.414 1.966 0 40 FDAB COc1ccccc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12993044 IKILSCAILRYWSY-UHFFFAOYSA-N 359.407 1.763 0 40 FDAB O[C@H](COCc1ccccc1Cl)CN1CCN(c2ncccn2)CC1 23387191 RIJGLNHSKRHKMT-INIZCTEOSA-N 362.861 1.830 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)nc2n1 5021420 ILSAJDCWLUHVQC-UHFFFAOYSA-N 373.800 1.868 0 40 FDAB CCOC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(C(=O)OCC)c1N 65336690 BVGDBCUXAALAEW-UHFFFAOYSA-N 363.370 1.825 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)Nc1ccc(Cl)cn1 14085224 CQXPIWXAIYIBBW-SNVBAGLBSA-N 369.834 1.530 0 40 FDAB O=S(=O)(c1cccc(F)c1)N1CCN(CC2(O)CCCCC2)CC1 14113746 VBIPFRBRTCAHJG-UHFFFAOYSA-N 356.463 1.827 0 40 FDAB COc1ccc(CCN(C)C(=O)CSc2nnnn2C)cc1OC 6620117 WOTFEDINZVURQJ-UHFFFAOYSA-N 351.432 1.021 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCc1cc(=O)n2ccccc2n1 14758959 LVXWFJOUSJCTLD-UHFFFAOYSA-N 362.345 1.148 0 40 FDAB Cc1cc(C)n2nc(CC(=O)NCc3nc(-c4ccccc4)no3)nc2n1 6754720 WVZYHDJSCMJOTG-UHFFFAOYSA-N 363.381 1.650 0 40 FDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829847 LLPFDUGAXGOTMH-SECBINFHSA-N 361.789 1.287 0 40 FDAB COc1ccccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O 113968464 LKRAGSDLMCEFMB-UHFFFAOYSA-N 356.444 1.100 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C)(C)C2=O)sc(C)c1C 9594753 DVAGOFVBHITSOI-UHFFFAOYSA-N 367.427 1.811 0 40 FDAB O=C(O)CC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCCC1 8879591 KJEKTACBSIVNPD-UHFFFAOYSA-N 373.409 1.231 0 40 FDAB biogenic COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 84147869 LUWQXEDQOOVRGR-UHFFFAOYSA-N 370.365 1.098 0 40 FDAB C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)N1CCOCC1 20896606 OAQRDYMSRNDCLJ-SNVBAGLBSA-N 351.407 1.137 0 40 FDAB CC[C@H](CO)N1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 72797816 FZEYBCBXIXZGRX-CYBMUJFWSA-N 350.850 1.877 0 40 FDAB O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@H](CO)[C@@H](O)C1 545989914 AWELGKNQDSAWMX-MFKMUULPSA-N 373.331 1.120 0 40 FDAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408548574 IWXKBNREDOGMPC-ZWSXMNCCSA-N 362.382 1.938 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCc3ccccc3C2)cc1 34873158 JOGBMIPIYDWZHU-UHFFFAOYSA-N 373.478 1.051 0 40 FDAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCCC3)c[nH]c2c1 32102263 CRSJQVWAINFWSK-RTRPANQVSA-N 357.366 1.969 0 40 FDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 218110810 PBJGCISNFYSCRO-ROUUACIJSA-N 362.447 1.914 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 73437792 ZSGVCNINFIWTBZ-RYUDHWBXSA-N 355.485 1.782 0 40 FDAB Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3CCCO3)CCOCC2)o1 1547138790 RSIPNENKRUJNBU-ZDUSSCGKSA-N 351.399 1.387 0 40 FDAB biogenic CCOC(=O)c1c(N)n([C@@H]2CCS(=O)(=O)C2)c2nc3ccccc3nc12 32553490 WPLHSBLBUUWLCT-SNVBAGLBSA-N 374.422 1.703 0 40 FDAB CCOCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217641502 ZDYUHCAEBVLPOJ-UHFFFAOYSA-N 360.432 1.148 0 40 FDAB CSc1ncccc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1 225800051 QNUJRPMCMBTSED-UHFFFAOYSA-N 369.454 1.512 0 40 FDAB O=C(CCn1cnc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1 225803114 KLBUQTCBIWSGRE-UHFFFAOYSA-N 364.365 1.481 0 40 FDAB COc1cccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 220187477 PYBVFRAUEMEVFL-CYBMUJFWSA-N 369.487 1.060 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(OC)cc2)ccc1OC 222903444 ISVZRZHEOXCPPQ-UHFFFAOYSA-N 364.423 1.889 0 40 FDAB C[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)c1nnc2ccccn12 332069500 UCUSGSDFFOMNFS-JTQLQIEISA-N 357.336 1.889 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)c1ccoc1)C2 96050258 SXXBPDBRZIOQNP-LJQANCHMSA-N 357.385 1.982 0 40 FDAB COc1ccc(-n2nc(Cn3cncn3)nc2Cc2cc(C)no2)cc1 96138317 JMQXYVWOSJNFHR-UHFFFAOYSA-N 351.370 1.803 0 40 FDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1cccn1C)C2 96050262 WGRXIMULWXQTCF-FQEVSTJZSA-N 370.428 1.728 0 40 FDAB CS(=O)(=O)C(Br)(Br)C(=O)c1ccc(N)cc1 96518465 VDJMMWLUHAWTFB-UHFFFAOYSA-N 371.050 1.940 0 40 FDAB CCS(=O)(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96219148 GKJXRFWIZATTJK-INIZCTEOSA-N 356.488 1.898 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccccc1)CC2 247891295 TUWPWBRKBZDNIX-INIZCTEOSA-N 366.483 1.447 0 40 FDAB CS(=O)(=O)N1CCCC[C@H]2CN(C(=O)c3cncc(O)c3)CC[C@H]21 257284979 PFDJOSVWEFSXHN-SWLSCSKDSA-N 353.444 1.063 0 40 FDAB CCn1ncc(S(=O)(=O)N2CCO[C@H](c3nccc(C)n3)C2)c1C 257279388 OGIGXJPXNVDKHU-ZDUSSCGKSA-N 351.432 1.072 0 40 FDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)=O)CC2)[C@@H]1c1ccc(C)cc1 257322785 WHJSQONGAQYDLQ-QUCCMNQESA-N 371.481 1.985 0 40 FDAB CN(C)C(=O)CCNC(=O)CCCn1cc(COc2ccccc2)nn1 252505141 VPMYWAMNPZXYDF-UHFFFAOYSA-N 359.430 1.232 0 40 FDAB Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)n[nH]1 275592058 KHYFCHIRYGIAPF-WBMJQRKESA-N 373.461 1.288 0 40 FDAB CCn1nc(C)c(CNC(=O)[C@H](Cc2ccccc2)n2nnnc2C)c1C 605271655 XEJMYQUMFYKYOQ-SFHVURJKSA-N 367.457 1.915 0 40 FDAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1nc(-c2ccccc2F)cs1 684496316 JQKFLCQZLVVDCZ-IAQYHMDHSA-N 363.414 1.547 0 40 FDAB CS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccoc3)o2)C1=O 575610961 RPXZQCCSSISCQO-UHFFFAOYSA-N 353.356 1.446 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@H]12 585109236 DOKXYWMXPDMOPT-ZHALLVOQSA-N 372.396 1.894 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3sccc3C)C2)OC1 585105181 PSHXNLQOUIDMIU-CQSZACIVSA-N 358.529 1.977 0 40 FDAB CN1CCC(CO[C@@H]2CN(C(=O)c3ccnc(F)c3)[C@@H]3COC[C@H]23)CC1 585108147 CAORXVSQKGWUNA-GVDBMIGSSA-N 363.433 1.419 0 40 FDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCCn2cncn2)CCO1 585279073 SIZWWSTYBBUPFB-LJQANCHMSA-N 358.442 1.199 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CCOc1ccccc1F 1775957065 BATVSEMDZXQNKQ-JSGCOSHPSA-N 350.394 1.984 0 40 FDAB Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 56400475 WUVUGGNBGBRBAZ-UHFFFAOYSA-N 366.215 1.572 0 40 FDAB Cc1cnc([C@H](C)NC(=O)N2CCN(CC(=O)NC3CC3)CC2)s1 79081537 IKAPVYDXSWBXSQ-LBPRGKRZSA-N 351.476 1.118 0 40 FDAB O=C(c1cc2ccccc2oc1=O)N1CCC(CN2CCOCC2)CC1 40118552 RAFGOSFBELXHBX-UHFFFAOYSA-N 356.422 1.977 0 40 FDAB O=S(=O)(c1ccc2[nH]c(CO)nc2c1)c1ccc2nc(CO)[nH]c2c1 5409222 JORDTHPLQJEPLK-UHFFFAOYSA-N 358.379 1.257 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1cccc2c1-c1ccccc1C2=O)C(=O)O 5431461 ZOYHSORKFDZUBV-OAHLLOKOSA-N 352.346 1.816 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)s1 12771316 OFMIEIPRGLLZQE-AWEZNQCLSA-N 350.465 1.918 0 40 FDAB Cc1[nH]c2ncnn2c(=O)c1CC(=O)Nc1ccc2c(c1)OC(C)(C)O2 19658153 WWJWVUWYVZMOBA-UHFFFAOYSA-N 355.354 1.415 0 40 FDAB C[C@H](c1cc(O)nc(N(C)CCN(C)C)n1)n1ncc2ccccc2c1=O 19717538 LZCTWXWKPZKCDB-CYBMUJFWSA-N 368.441 1.499 0 40 FDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3ncccc3C)CC2)OC[C@]1(C)O 643913835 JDENJRFSSVITIQ-OALUTQOASA-N 361.486 1.743 0 40 FDAB COC(=O)[C@@H](C[C@@H](OC)c1c(O)cc2cc(C)oc(=O)c2c1O)OC 31168788 TWSUSRQZTZUYSD-VXGBXAGGSA-N 352.339 1.778 0 40 FDAB biogenic,in-vitro Cc1nc2ccccc2c(=O)n1NC(=O)CN1C(=O)c2ccccc2C1=O 5205895 RHHONNPIYLVOLG-UHFFFAOYSA-N 362.345 1.071 0 40 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352.347 1.052 0 40 FDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)N1CCCCC1 4341790 FBDFAJKPJZHGDA-UHFFFAOYSA-N 356.361 1.129 0 40 FDAB COc1cc(CN2CCC[C@](C(=O)N(C)C)(n3ccnc3)C2)cc(OC)c1 2055771865 FMPGZAMBYPQUTM-FQEVSTJZSA-N 372.469 1.980 0 40 FDAB O=C(c1cscn1)N1CCCC2(CCN(S(=O)(=O)C3CC3)CC2)C1 2055785508 NOWIQNICSWBRIF-UHFFFAOYSA-N 369.512 1.954 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cc5ccccc5[nH]4)C3)nn12 1775968843 WZWAJKCQPGZKEJ-UHFFFAOYSA-N 361.409 1.875 0 40 FDAB Cc1noc([C@H]2C[C@H](F)CN2S(=O)(=O)c2ccc3c(c2)CCO3)n1 585146140 UIWJXYAFWYYNNY-WCQYABFASA-N 353.375 1.787 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@@H]2CCCOC2)CC1 585501324 DSXRBFDMNXDGOB-KRWDZBQOSA-N 357.458 1.568 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(=O)c3ccccc3o1)C2 606440880 YRPKFUCXWSSUGE-CYBMUJFWSA-N 364.405 1.936 0 40 FDAB Cn1ncc2c(N3CCC[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298194499 ZAJLRLODUPAGDR-LBPRGKRZSA-N 364.400 1.837 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)CO 40098541 FZGXIZQAHOOMTA-CYBMUJFWSA-N 355.460 1.672 0 40 FDAB Cn1cc(C(=O)NCc2ccnc(-n3cccn3)c2)c(C(F)(F)F)n1 40150383 FKODHLKQFVPMIK-UHFFFAOYSA-N 350.304 1.950 0 40 FDAB Cn1cc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)cn1 40142814 CMMMEALJFFZOBK-UHFFFAOYSA-N 355.427 1.296 0 40 FDAB COc1ccccc1CC(=O)N1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 51467107 TXLBQCCJZOBWON-HNNXBMFYSA-N 368.499 1.804 0 40 FDAB Cc1ccc(C(=O)N[C@@H](C(=O)NCCC(=O)N2CCCC2)C(C)C)cc1 32716770 YAVIADAEPRNZHF-GOSISDBHSA-N 359.470 1.878 0 40 FDAB COc1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1NS(C)(=O)=O 32771573 LLWGULZJXSICNK-SNVBAGLBSA-N 368.415 1.802 0 40 FDAB O=C(CCNC(=O)c1ccncc1)NCc1ccc(N2CCCC2)nc1 41690461 USLHWKIIVBCLAY-UHFFFAOYSA-N 353.426 1.513 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 23387914 NFQYDZWRXUSOIU-GHMZBOCLSA-N 369.343 1.927 0 40 FDAB C[C@H](Cn1ccnc1)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 42533599 ZJWWNIXHONCSCK-GFCCVEGCSA-N 368.484 1.548 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)C(=O)N1CCNC1=O 24202242 KDFIITXMUBYEIQ-MLGOLLRUSA-N 371.393 1.434 0 40 FDAB O=C(N[C@H]1CCSC1=O)c1cccc(C(=O)N[C@@H]2CCSC2=O)c1 12428641 WQKGXFYNDRMLLF-TXEJJXNPSA-N 364.448 1.210 0 40 FDAB C[C@@H](Nc1ccc(I)cc1)C(=O)N1CCOCC1 9157605 MSGDMUQVSACMPY-SNVBAGLBSA-N 360.195 1.950 0 40 FDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 809636 HTGOYYSPGRRHOT-ZDUSSCGKSA-N 352.456 1.765 0 40 FDAB CCOC(=O)[C@]12CC[C@](C(=O)OCC)(CC13OCCO3)C1(C2)OCCO1 1720581 VQFWJRLZWUTYHC-HZPDHXFCSA-N 370.398 1.159 0 40 FDAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 24943568 XHMMMCJKYVAPQN-GFCCVEGCSA-N 367.427 1.390 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 12574292 MRBVCTIXRGLZFS-UHFFFAOYSA-N 356.407 1.654 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1C 6471588 HNGZFEFOVNTFDN-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB O=C(CSc1nnnn1C1CC1)NCCOc1ccc2c(c1)CCC2 56009191 OKQKBXPWCSILER-UHFFFAOYSA-N 359.455 1.784 0 40 FDAB CCc1cc(=O)[nH]c(-c2cccc(N[C@@H](C)C(=O)N3CCNC3=O)c2)n1 56177171 VDTYLJCZMLJLIU-NSHDSACASA-N 355.398 1.352 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1nc(-c2ccccc2)no1 103067413 MRUHJJJWMBZCJG-KBPBESRZSA-N 369.377 1.955 0 40 FDAB CCOC(=O)NCCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 56677284 ATQHXSSDLHXQGQ-UHFFFAOYSA-N 366.393 1.638 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](O)C2)ccc1OC 26242262 OSIGGWWPDLDAPR-CQSZACIVSA-N 370.471 1.323 0 40 FDAB Cc1ccc(C)c(N2N=C(C(=O)NCCC(=O)N3CCCC3)CCC2=O)c1 8719461 JWBRWHHOZGDKNH-UHFFFAOYSA-N 370.453 1.915 0 40 FDAB O=C(NCCNC(=O)c1cccc(Br)c1)c1ccc(=O)[nH]c1 58217628 QAJJQNYNBRCTMI-UHFFFAOYSA-N 364.199 1.297 0 40 FDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 12542245 SUAUEFURIPIWDO-KRWDZBQOSA-N 356.401 1.884 0 40 FDAB CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1 36408742 DWQLBGGQYNKMLX-UHFFFAOYSA-N 360.458 1.636 0 40 FDAB O=C(OCc1ccno1)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 84618039 VJYCTCYXAKPKKN-ZZPDFDGGSA-N 374.437 1.896 0 40 FDAB CCN(CC)CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 57280286 JRFWEQSPLUKFPM-UHFFFAOYSA-N 353.488 1.561 0 40 FDAB CCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)s1 100466657 AVMPQSVJOPOXAL-GSNAKJBFSA-N 358.423 1.092 0 40 FDAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NCc1ccccc1 102086213 RSCGGEJUXVCNAR-UEFGCPDKSA-N 350.418 1.746 0 40 FDAB Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)no1 11999560 GBBPWFXIXJRDOF-JTQLQIEISA-N 367.383 1.060 0 40 FDAB COc1cc([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc(OC)c1OC 101413804 SAYQUPKFJHYXLH-LBPRGKRZSA-N 357.362 1.872 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccc(OC)c1 101646461 JHKZXOLSVSSHII-JTOWHCCKSA-N 350.367 1.081 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)no1 12029131 XYTWLYZOQJOBCO-NSHDSACASA-N 353.404 1.115 0 40 FDAB NC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1 2722891 AXVUXXGMDIALDK-UHFFFAOYSA-N 356.407 1.247 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)c1 48275169 MKHPTENPYQACTG-UHFFFAOYSA-N 369.370 1.784 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)c1 3378241 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CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(-c3cccnc3)c2)CC1 225639851 GLVISUDLOMEDAL-UHFFFAOYSA-N 374.466 1.431 0 40 FDAB CC(=O)N[C@@H]1CCN(C(=O)c2onc(-c3ccc(F)cc3)c2[C@H](C)O)C1 225433416 ZMRDTPFYIJULLF-IINYFYTJSA-N 361.373 1.885 0 40 FDAB biogenic,in-vitro COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3nccn3C)C2)C1 96075702 AZQPPPUMQUVTBQ-MAUKXSAKSA-N 350.463 1.010 0 40 FDAB Cc1ccc(S(=O)(=O)NN)c(C)c1N(C)S(=O)(=O)c1ccccc1 95117040 CAHNTBYLIIPQIZ-UHFFFAOYSA-N 369.468 1.281 0 40 FDAB Cn1nnc(-c2ccc(OCC(=O)NCCc3ccc(O)cc3)cc2)n1 95473292 GCBKDIAQHVTWAH-UHFFFAOYSA-N 353.382 1.320 0 40 FDAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 96075695 RLEJWDXWJMOZBN-QAPCUYQASA-N 350.463 1.010 0 40 FDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107404 AWPFIDFJNPLOCO-ACJLOTCBSA-N 358.373 1.853 0 40 FDAB CCn1ncnc1CNC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 331624576 HDWLRJBSQILVMO-UHFFFAOYSA-N 362.459 1.336 0 40 FDAB O=C(N1CCOCC1)N1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202987 PRZGOEQVEYKBJS-UHFFFAOYSA-N 373.409 1.296 0 40 FDAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCCN4CCOCC4)[C@@H]32)Oc2ccccc21 248012377 WEHSMKAKMIUGAX-LKRGOLFISA-N 370.449 1.495 0 40 FDAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CC[C@@](F)(CO)C1 585080607 JHBJLIHFSQJCNL-KRWDZBQOSA-N 355.431 1.949 0 40 FDAB CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)c1 257209222 BPMIFCBCBRTNQM-SFHVURJKSA-N 357.458 1.925 0 40 FDAB CCc1ncc(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cn1 269521188 HOKGPQAKWWSPKM-UHFFFAOYSA-N 355.398 1.735 0 40 FDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCN1CCCC1=O 27029061 ZZAXGMZBZPMFKR-UHFFFAOYSA-N 358.847 1.242 0 40 FDAB CNc1ncnc2cc(C(=O)NC3CCN(c4nccn4C)CC3)ccc12 613912860 VOPCMZZJEQJHQN-UHFFFAOYSA-N 365.441 1.804 0 40 FDAB Cc1cnc(OC(C)C)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2C)c1 644489822 FEUMMAYHCGCCKH-CYBMUJFWSA-N 355.460 1.235 0 40 FDAB Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccn(CC(=O)O)n2)c1C 656247816 WCQHEIPCJAAIBQ-UHFFFAOYSA-N 351.384 1.240 0 40 FDAB CC(C)(C(=O)O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 570095972 FKTMJGLRBROTPO-UHFFFAOYSA-N 368.455 1.588 0 40 FDAB O=C(NC[C@H]1CN(C(=O)C2(F)CC2)Cc2ccnn2C1)c1ccsc1 585098985 BICFUSVPKGMAHP-LBPRGKRZSA-N 362.430 1.835 0 40 FDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(OC)cn1)C2 585113037 XQEWYOCEZMKFMV-LBPRGKRZSA-N 360.414 1.401 0 40 FDAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)NCCc2cc(F)ccc2F)C1 585088699 XCGSRASICGCXBY-GOSISDBHSA-N 369.412 1.522 0 40 FDAB O=C1CO[C@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@@H]2N1C1CCOCC1 585261374 YOZSXOJHMLUOOE-OALUTQOASA-N 355.438 1.759 0 40 FDAB CN(C)C1CCN(C(C)(C)CNCc2cnc(N3CCCC3)nc2)CC1 68988057 HAFRCVOROGDUHF-UHFFFAOYSA-N 360.550 1.971 0 40 FDAB O=C1CN(Cc2nnc3n2CCC3)CCN1c1ccnc(C(F)(F)F)c1 1776008289 BVAFLYUHYZTAMY-UHFFFAOYSA-N 366.347 1.487 0 40 FDAB Cc1nnc(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)s1 75149288 QDERWNYOUOAWLC-UHFFFAOYSA-N 372.516 1.224 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3CO)CC2)cc1 96099744 IKQGICYTYZQERL-QGZVFWFLSA-N 366.483 1.499 0 40 FDAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1N 11236378 DNYOSRLDSUAPRL-UHFFFAOYSA-N 366.472 1.070 0 40 FDAB CCn1nc(C)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C 12147724 FUQPOVMBMASWKQ-UHFFFAOYSA-N 350.400 1.652 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 13865509 LBXAQJLJXKIVBC-CQSZACIVSA-N 351.859 1.992 0 40 FDAB CCc1cnc2c(c1SCCN1CCCCC1)c(=O)n(C)c(=O)n2C 10216616 DYIBVYKIGJOSJT-UHFFFAOYSA-N 362.499 1.773 0 40 FDAB O=C(/C=C\c1cccc(F)c1)NCCn1cc(C(=O)N2CCCC2)nn1 20867142 QSNYWVHSOKACHG-SREVYHEPSA-N 357.389 1.483 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3586079 BROOIEYATMNQFB-STQMWFEESA-N 357.410 1.880 0 40 FDAB Cc1nc2c(c(N3CCN(c4c(C)c(C)nc5ncnn45)CC3)n1)CCC2 1888897837 GYDSIKWECBDADF-UHFFFAOYSA-N 364.457 1.655 0 40 FDAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cocn2)CC1 1888922069 MUSMQKYQOQQQGV-UHFFFAOYSA-N 360.439 1.720 0 40 FDAB OCCCOCCCOCCCOCCCOCCCOCCCO 5520245 POUOCTVICRHRGZ-UHFFFAOYSA-N 366.495 1.395 0 40 FDAB CCOc1ccnc2c1c(=O)n(CC(=O)N(C(C)C)C(C)C)c(=O)n2C 9571935 DBKGTIKTCQAIIM-UHFFFAOYSA-N 362.430 1.139 0 40 FDAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(F)(F)F 11693848 SBKCQBXPJQITLR-UHFFFAOYSA-N 369.278 1.988 0 40 FDAB O=C(Cc1ccccn1)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055772676 NXRIZUYGTDKJDF-HNNXBMFYSA-N 368.437 1.958 0 40 FDAB O=C(c1cccnc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772814 HVJCWZATSJUZPU-UHFFFAOYSA-N 353.426 1.436 0 40 FDAB COCC(=O)N(C)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775970816 RRGADPSKHZRNJO-UHFFFAOYSA-N 370.388 1.224 0 40 FDAB Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCO[C@@H](c4ccccc4)C3)nc21 30654639 XSAUUPWTAGPXEF-OAHLLOKOSA-N 367.409 1.189 0 40 FDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H](N)C1 50242279 NPZKAMZCHYAJEF-QMMMGPOBSA-N 369.668 1.833 0 40 FDAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccn1 20567550 OOWDSPBRYCHDEL-HXUWFJFHSA-N 367.405 1.179 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(O)cc1 32104699 LWXDIZPIXSIAEB-ZDUSSCGKSA-N 353.378 1.500 0 40 FDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 20733955 RCZRWDCDWOHFRX-INIZCTEOSA-N 351.406 1.586 0 40 FDAB CN1CCc2nc(NC(=O)CN3C(=O)CCOc4ccccc43)sc2C1 32744505 NGSUSSKROHRZDH-UHFFFAOYSA-N 372.450 1.885 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccnc(-n2cccn2)c1 103124461 ZGJPHYVKFGINGW-GJZGRUSLSA-N 367.409 1.059 0 40 FDAB O=c1cc(CN2CCN(CCOc3ccccc3)CC2)nc2sccn12 22804708 KWHZVEDAZSROBC-UHFFFAOYSA-N 370.478 1.953 0 40 FDAB CNC(=O)NC(=O)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 23717889 GXDSCCPRBKSWLV-WMLDXEAASA-N 355.394 1.613 0 40 FDAB CC(C)C[C@H](CNC(=O)[C@H](C)Sc1nncs1)N1CCOCC1 42767699 KERPORUVOSBIEJ-QWHCGFSZSA-N 358.533 1.882 0 40 FDAB Cn1nc(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc2c1=O 56952289 YUBGUARJLWMBRN-CQSZACIVSA-N 367.409 1.490 0 40 FDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 57406168 WYALBJMNHGICBA-ZDUSSCGKSA-N 363.414 1.559 0 40 FDAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCC1 57533983 YEGPNHFFTYNXFO-SECBINFHSA-N 373.203 1.326 0 40 FDAB COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 8298219 KDBNKWSGBGYZBR-UHOSZYNNSA-N 369.469 1.451 0 40 FDAB biogenic,in-vitro COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298351 CDBQOXKKQOUWCC-QGTPRVQTSA-N 355.442 1.774 0 40 FDAB biogenic,in-vitro O=C(COc1ccccc1CN[C@@H]1CCc2ncnn2C1)N1CCCC1 109072448 CRHXATZGZANXNJ-MRXNPFEDSA-N 355.442 1.384 0 40 FDAB O=C(CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)NC1CC1 58167450 UQVJCOBKWARYNG-OAHLLOKOSA-N 373.453 1.089 0 40 FDAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)C1CCC(NC(N)=O)CC1 84691816 WCRSCAMTOIEDGU-URGYJCLVSA-N 353.463 1.794 0 40 FDAB COCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 10213716 YMOURGTUQLWHFR-UHFFFAOYSA-N 354.472 1.556 0 40 FDAB O=C(Cn1c(-c2cccc(Br)c2)noc1=O)NCC1CC1 58209601 UOAPQQNAKSZIAW-UHFFFAOYSA-N 352.188 1.792 0 40 FDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)c1ccc(OC)nc1)C2=O 58270393 NXAPHUGKEAIGST-UHFFFAOYSA-N 374.441 1.944 0 40 FDAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccc(O)c2)N1)OCCCO4 12549787 SGXLUTCEWKVWSS-MRXNPFEDSA-N 351.366 2.000 0 40 FDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420251 ADFSMYPLWQQDJX-QCUYGVNKSA-N 362.401 1.803 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1 108536334 YJMYBWHUZWUYIU-AWEZNQCLSA-N 356.430 1.476 0 40 FDAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)c1nc2ncccn2n1 36618711 IMIGJDXLFHPKMT-UHFFFAOYSA-N 368.397 1.088 0 40 FDAB COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21 11689634 FEDKQIGVIHODPW-UHFFFAOYSA-N 368.411 1.332 0 40 FDAB C[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)Cn1ccnc1 60380137 ZFAVDPGVZJBSJL-LBPRGKRZSA-N 371.484 1.438 0 40 FDAB Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1 12252339 OAHOUTLWYSGFFS-SFHVURJKSA-N 370.365 1.541 0 40 FDAB CCOC(=O)C1=C(COC(=O)c2c(C)oc(C)c2C)NC(=O)N[C@H]1C 12695258 HJQMNYWTUNKMRA-VIFPVBQESA-N 350.371 1.880 0 40 FDAB NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 89768080 KQQLTDGIGUTAED-ZETCQYMHSA-N 359.256 1.045 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 3477504 XRKFMBHDTIVQJY-UHFFFAOYSA-N 361.423 1.237 0 40 FDAB COC(=O)C1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 10542067 YKBOSNKXYZCTQG-UHFFFAOYSA-N 354.428 1.108 0 40 FDAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc2c1CCC2 3577998 KYBCCSBMQOROJU-UHFFFAOYSA-N 367.456 1.668 0 40 FDAB COCCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 3601008 ZZXVSWUZSFSONM-UHFFFAOYSA-N 353.469 1.561 0 40 FDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1c[nH]c2ccccc12 13002934 FGNYOPXQJUYXEX-UHFFFAOYSA-N 365.389 1.985 0 40 FDAB Cn1cc2c(n1)[C@]1(CCN(S(C)(=O)=O)C1)CN(Cc1ccccc1)C2 306123574 AQQFHTNOVJNUAZ-GOSISDBHSA-N 360.483 1.339 0 40 FDAB COCCn1nc(C(=O)N2CCCCC[C@@H]2c2cccn2C)ccc1=O 49590109 QQXTYCYSMAIDIH-QGZVFWFLSA-N 358.442 1.986 0 40 FDAB O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9305329 PXLITZFEAPENQV-MRXNPFEDSA-N 359.451 1.799 0 40 FDAB Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(N3C[C@@H](C)O[C@H](C)C3)nc1)CC2 171339499 GVWSUBMJBLRZII-XJKCOSOUSA-N 370.457 1.340 0 40 FDAB COc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1Cc1ccccc1 9454062 MBROHPKOQHMMEP-UHFFFAOYSA-N 365.389 1.775 0 40 FDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2N2CCOCC2)C1 65971847 GFWFDLLOVHYISF-IYBDPMFKSA-N 367.515 1.836 0 40 FDAB O=C(N[C@@H]1CCSC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9419340 KWAZDZBUNVTKHC-TZMCWYRMSA-N 368.480 1.236 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)NCCCn3cncc3C)CC2=O)cc1 89702455 HPGHLKSNDIOOCB-HNNXBMFYSA-N 356.426 1.760 0 40 FDAB COc1ccc(C)cc1CCNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 6986679 ABQLDZPFBPGSFR-UHFFFAOYSA-N 367.405 1.366 0 40 FDAB CCOc1ccc([C@@H]2NC(=O)NC(CN3CCCC3)=C2C(=O)OC)cc1 67287141 CZXVJDKVOTVART-KRWDZBQOSA-N 359.426 1.962 0 40 FDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1cccc(Cl)c1 5936391 DNWLJBLHENFKRG-UHFFFAOYSA-N 364.785 1.931 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccn3)cc2)C1=O 15843098 XRGCPDUFWWITHO-UHFFFAOYSA-N 373.434 1.714 0 40 FDAB CSc1nnc(SCC(=O)N2CCN(c3ncccn3)CC2)s1 8206419 DILDDSWTCBPEIV-UHFFFAOYSA-N 368.513 1.491 0 40 FDAB Cc1noc(Cl)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 84026689 LIAHFSVMWHKINE-VIFPVBQESA-N 365.773 1.848 0 40 FDAB CN(Cc1ccsc1)C(=O)CSc1nnc(SCC(N)=O)s1 19352110 ODVWWHBCSOYFEB-UHFFFAOYSA-N 374.538 1.928 0 40 FDAB COc1ccc(NC2=NC(=O)C[C@H](C(=O)NCc3ccccc3)N2)cc1 9190771 AQZHBUNMCXEJKG-MRXNPFEDSA-N 352.394 1.668 0 40 FDAB CCCn1nc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)OC)ccc1=O 72310563 MFGDBRZBBUBCIQ-CXAGYDPISA-N 357.410 1.934 0 40 FDAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408595508 SARZEEXEPJIETA-OLZOCXBDSA-N 350.440 1.658 0 40 FDAB Cc1csc(CN2Cc3cncn3[C@@H](CCNS(C)(=O)=O)C2)n1 306124619 BUSMYTYBNVDGDQ-LBPRGKRZSA-N 355.489 1.144 0 40 FDAB CC(C)COC[C@H](O)CN1CCN(c2ccc(Br)cn2)CC1 509047926 DDYOPQQTWSUQMB-OAHLLOKOSA-N 372.307 2.000 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3C(=O)c2ccc(=O)[nH]c2)Nc2ccccc21 72327462 XRPQGYWDWXKXKP-YFROIQMUSA-N 350.378 1.304 0 40 FDAB O=C(Cc1ccccc1)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335790 MEAAZODHTZTRLT-UHFFFAOYSA-N 363.421 1.835 0 40 FDAB CCC(CC)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223088539 KFPRXATYNKJHSP-UHFFFAOYSA-N 354.428 1.816 0 40 FDAB COc1ccc(N2CCN(C(=O)c3cnn(C)c3C(F)F)CC2)nc1 570139757 XQNKWRHDBVYJHD-UHFFFAOYSA-N 351.357 1.724 0 40 FDAB Cn1cc([C@@H]2CC3(CCN(C(=O)c4cccc(F)c4)CC3)NC2=O)cn1 96069616 GWZMVGZCLVJRGI-INIZCTEOSA-N 356.401 1.838 0 40 FDAB Cn1cc(C(=O)N2CC[C@H]3[C@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cn1 96218751 BDRUVPRTGDTKBG-KFWWJZLASA-N 357.414 1.400 0 40 FDAB CN1N=C(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CCC1=O 583621545 ZXCMUCCDTUTRBZ-RYUDHWBXSA-N 352.435 1.385 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cc1 96238056 BDCUOIJIHYDSPN-OAQYLSRUSA-N 364.449 1.953 0 40 FDAB CCc1nc(-c2ccccc2NC(=O)c2ccc(S(N)(=O)=O)cn2)n[nH]1 537322123 VZNHFQQLCRQLSC-UHFFFAOYSA-N 372.410 1.329 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccccn3)C[C@H]1CN(C(C)=O)C2 96056016 OHZFFFJMWXLISJ-KXBFYZLASA-N 359.426 1.345 0 40 FDAB Cn1cc(N2CC[C@]3(CCN(C(=O)Cc4cccc(F)c4)C3)C2=O)cn1 96159572 UANQCHDIPOQRPT-IBGZPJMESA-N 356.401 1.757 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)c2ccc(O)nc2)Nc2ccccc21 248070216 XRPQGYWDWXKXKP-PEELUZDISA-N 350.378 1.716 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCN(C(=O)c4ccccn4)C3)ccnc12 257308041 TVEGIEOSNGOCPV-ZDUSSCGKSA-N 364.409 1.456 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)cn1 257278475 OCKMCKJWHZJSSU-QGZVFWFLSA-N 369.469 1.723 0 40 FDAB CNC(=O)CN1CCN(C(C)=O)C[C@H](Cc2cccc3cccnc23)C1 257253652 JZSXCUBIXOXHTD-MRXNPFEDSA-N 354.454 1.304 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)[C@H](CO)C(C)(C)C 269720487 UJGLSDKANGSLIY-CQSZACIVSA-N 363.501 1.426 0 40 FDAB COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 592193529 BDWDISMSCPBQOO-MWLCHTKSSA-N 361.225 1.788 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccoc3)CC2)C1 285125348 MXCARFXZYXYCIW-GJZGRUSLSA-N 369.487 1.090 0 40 FDAB C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H](c2nc(C3CC3)no2)O1 623173496 KEJREGNJYMGTMH-ZYHUDNBSSA-N 354.370 1.592 0 40 FDAB Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](C)Cn1ccnc1C 625175830 VLPJTHGHAYYBQD-VIFPVBQESA-N 356.473 1.275 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OC)c(Br)c1 643763341 ZZKXBQNIVKDOJR-OAHLLOKOSA-N 357.248 1.924 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 647928372 KFNSNUNONURLDV-MRXNPFEDSA-N 365.411 1.127 0 40 FDAB C[C@@H](NC(=O)c1ccc2c(n1)OCCO2)[C@@H](Cc1ccccc1)C(=O)O 656253667 ZFZDQQAKENFAME-TZMCWYRMSA-N 356.378 1.915 0 40 FDAB O=C(O)CN1CCOCCOc2ccccc2Nc2ncccc2C1=O 585286506 SRJSADKQRINANS-UHFFFAOYSA-N 357.366 1.761 0 40 FDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(Cl)cc3)C2)OC1 585105450 WSNLZSRQVPVYGS-CQSZACIVSA-N 358.891 1.870 0 40 FDAB O=C(CNC(=O)c1ccc(F)cc1)NCCN1CCc2ccccc2C1 31339215 QQHMVVPCSZZIEM-UHFFFAOYSA-N 355.413 1.730 0 40 FDAB CN(C)C(=O)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1 57278107 RUHKNQGAMQXAMG-HNNXBMFYSA-N 367.405 1.967 0 40 FDAB CS(=O)(=O)N1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 1534646070 ACSMPBSWXCSBOW-RYUDHWBXSA-N 356.419 1.835 0 40 FDAB COc1ccc(C)cc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 5252059 WLUQPMGUGRRDJQ-LLVKDONJSA-N 355.398 1.528 0 40 FDAB Cc1ncc(C(=O)N2CCc3nc4ccsc4c(=O)n3CC2)c(C)n1 12741438 UIMUEUIJUOIXCA-UHFFFAOYSA-N 355.423 1.563 0 40 FDAB Cc1ccccc1[C@@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 15762070 VUIIPZSFAAVQQM-CYBMUJFWSA-N 357.435 1.911 0 40 FDAB CC(C)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 15894254 BWKIEMWIVKCKOU-HSSOGYSNSA-N 370.405 1.222 0 40 FDAB O=C(CC1CCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231290 TUDKQKGEVHOOGZ-UHFFFAOYSA-N 354.458 1.887 0 40 FDAB O=C([C@@H]1CN(c2ncc(Br)cc2F)CCO1)N1CCCC1 1888849576 YTQNOQSPCMNZOP-LBPRGKRZSA-N 358.211 1.811 0 40 FDAB CCS(=O)(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888869727 XUPIDSFICIAUMM-NSHDSACASA-N 351.432 1.052 0 40 FDAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3ncnc4c3nnn4-c3ccccc3)[C@@H]2C1 1888890774 POKUBDKOAJXUTA-IVMMDQJWSA-N 363.425 1.656 0 40 FDAB CCOc1ccc2nnc(CNC(=O)c3ccc(C(F)(F)F)nc3)n2n1 239808007 KELCKNPIUUIPPA-UHFFFAOYSA-N 366.303 1.867 0 40 FDAB COc1cc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)on1 1565545421 HYXGQRGKCRULHR-UHFFFAOYSA-N 359.386 1.162 0 40 FDAB O=C(N1CCO[C@@]2(COCCN(Cc3ccncc3)C2)C1)C1(F)CCC1 1565545366 GQMDWKCGLJTVHL-GOSISDBHSA-N 363.433 1.404 0 40 FDAB COc1cc(OC)cc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 8954621 KMBWMTKCAVHMMS-UHFFFAOYSA-N 369.377 1.951 0 40 FDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C)cc1C 9827338 ZMFOTFQZVFYRDY-UHFFFAOYSA-N 362.455 1.469 0 40 FDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1 11739579 DKZJLFDOYJXPMJ-UHFFFAOYSA-N 355.394 1.570 0 40 FDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055708150 RTPBRYPLEGRNFJ-UHFFFAOYSA-N 362.455 1.663 0 40 FDAB COc1nccnc1N(C)CC1CCN(C(=O)c2cc(C)nn2C)CC1 1775976302 YEWBBOQCLZBPJZ-UHFFFAOYSA-N 358.446 1.516 0 40 FDAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN([C@@H]2CCOC2)CC1 575616013 LQDRZLFHCQVJHH-GOSISDBHSA-N 363.502 1.610 0 40 FDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(c2ccn(C)n2)CC1 575615019 ARJOXGLVIZIYRT-UHFFFAOYSA-N 369.468 1.837 0 40 FDAB CN(C(=O)c1cscn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593651 IITVRWITHLUWHF-UHFFFAOYSA-N 369.454 1.809 0 40 FDAB Cc1nnc2ccc(N3CCN(c4nc(O)cc(C5CC5)n4)CC3)nn12 2298078357 LMWACWDNLGHFCM-UHFFFAOYSA-N 352.402 1.132 0 40 FDAB NCCn1nc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)c2nccnc21 19293494 UGDUSSZQYPIURV-CYBMUJFWSA-N 354.389 1.554 0 40 FDAB C[C@@H]1c2cccn2CCN1C(=O)CCn1nc(O)c2ccccc2c1=O 30264062 BYPFYJCEYRYVIO-CYBMUJFWSA-N 352.394 1.897 0 40 FDAB COc1ccc(OC)c([C@@H]2CCCN2C[C@H](O)CN2CCOCC2)c1 40013595 QTZHNTONJKXWAH-QAPCUYQASA-N 350.459 1.534 0 40 FDAB CC1CCN([C@@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(C)C)CC1 40090775 UFPAMUHFVFNPJA-IRXDYDNUSA-N 373.563 1.531 0 40 FDAB O=C(N1CCN(Cc2ccccc2)CC1)C1(n2cnnn2)CCCCC1 40286967 XMWDRHDCBXDIQF-UHFFFAOYSA-N 354.458 1.677 0 40 FDAB O=C(NC1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1)c1ccccc1 32860400 FNHZKUMCEBOYRR-RTBURBONSA-N 362.470 1.437 0 40 FDAB Cc1ccccc1[C@@H](OC[C@@H](O)CN1CCNC(=O)C1)c1ccccc1 23389897 XAIYUULBXAOGRV-RXVVDRJESA-N 354.450 1.894 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 920906 GSEGAAMVOQLYCZ-UHFFFAOYSA-N 360.501 1.938 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 12527487 UFHUGQUJLRXDDC-UHFFFAOYSA-N 370.471 1.730 0 40 FDAB C[C@H](Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C(=O)NCCO 79096208 BGOMBVPHDGCLHZ-VIFPVBQESA-N 355.320 1.466 0 40 FDAB COc1cc2c(C)cc(=O)oc2c(OC[C@@H](O)CN2CCCC2)c1OC 1610037 KUBUNGYHEMKARP-ZDUSSCGKSA-N 363.410 1.954 0 40 FDAB CN(Cc1ccc2c(c1)OCO2)C[C@H](O)CN1C(=O)c2ccccc2C1=O 24959516 XZHFGNMDLIECLH-AWEZNQCLSA-N 368.389 1.504 0 40 FDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 4503408 QTOPQEFYCAPIHF-ZJUUUORDSA-N 356.165 1.374 0 40 FDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005338 ZRGWWYQUGUUHLS-HNNXBMFYSA-N 368.503 1.504 0 40 FDAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 57390756 WIHVDNXLBKJUNU-AWEZNQCLSA-N 362.426 1.742 0 40 FDAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1Cl 23042483 JSSFHBBPNNWNKR-SNVBAGLBSA-N 374.846 1.737 0 40 FDAB CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 58166078 GMMFSWAMBRKFGU-CABCVRRESA-N 360.458 1.169 0 40 FDAB O=C1COc2ccccc2N1CCC(=O)N1CCC[C@H]1CN1CCCC1 58162725 QMGFTMNSVSUQAH-INIZCTEOSA-N 357.454 1.889 0 40 FDAB Cn1c(CNc2ccc(I)cc2)cc(=O)n(C)c1=O 10852069 CYMFJBBTPRNUPD-UHFFFAOYSA-N 371.178 1.301 0 40 FDAB 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1.725 0 40 FDAB COc1ccc2[nH]c(C)c(CCNC(=O)CSc3nnnn3C)c2c1 98086795 NXWHCYWEXSFAPR-UHFFFAOYSA-N 360.443 1.459 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccco2)ccc1OCC(=O)N(C)C 96193184 JESXNAFLMHXIAP-UHFFFAOYSA-N 352.412 1.534 0 40 FDAB CC(C)OC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96040530 YIMNSVDWEPJQSS-HOCLYGCPSA-N 357.476 1.405 0 40 FDAB O=C([C@H]1CN(Cc2cccs2)CC12CCOCC2)N1CCOCC1 96052205 FXDAQKOORFIHHI-MRXNPFEDSA-N 350.484 1.836 0 40 FDAB O=C(NC[C@H](O)c1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccccc1O 97490070 WJCNYAPLTJFTPQ-AEFFLSMTSA-N 372.396 1.986 0 40 FDAB CCS(=O)(=O)[C@@](Br)(I)[C@H](C)O 96521160 LYTSPHYFTSMJDL-WHFBIAKZSA-N 357.007 1.286 0 40 FDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C2CCCC2)C3)n1 253479465 QNJCQWSAKWCMDZ-AWEZNQCLSA-N 351.472 1.596 0 40 FDAB CN1CCCN([C@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]2O)CC1 257240320 HSZLGWHUUGUVMV-IRXDYDNUSA-N 351.516 1.280 0 40 FDAB NC(=O)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257238930 HNECMNUCCBLPRG-UHFFFAOYSA-N 353.422 1.689 0 40 FDAB C[S@@](=O)C1(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CCNCC1 602520052 GNVOJBIYHRVIQF-ODCWNRFASA-N 361.467 1.575 0 40 FDAB Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cc(F)c[nH]2)CCC(=O)N1C1CC1 621001849 GUUMUXPXTBLGLJ-BZNIZROVSA-N 359.405 1.759 0 40 FDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCN[C@H](CCO)C1 710378398 XGNJOIUSPIPJOB-GFCCVEGCSA-N 363.277 1.102 0 40 FDAB O=C([C@@H]1CCCN(c2ncc(Br)cn2)C1)N1CCOCC1 67348883 JVPYORFMPIRPOR-LLVKDONJSA-N 355.236 1.314 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@@H](C(=O)O)N(Cc2cn(-c3ccccc3)nn2)C1 685940300 CVJGESLGHFMPTJ-BBRMVZONSA-N 357.414 1.021 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1 585300380 XVHFJNPRRXPCFZ-UHFFFAOYSA-N 363.487 1.967 0 40 FDAB O=C(C1CCC1)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549162835 WRJVYPXYLWXOHW-CQSZACIVSA-N 360.389 1.243 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F 11691775 RMBQHRPHRFGDRH-XLDPMVHQSA-N 354.375 1.697 0 40 FDAB O=C1NC[C@]2(CCCN(CC(=O)N3CCCCC3)C2)Oc2ccccc21 12087287 JRSVRLMZROIZGP-FQEVSTJZSA-N 357.454 1.656 0 40 FDAB CCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCN(C(C)=O)CC1 12087640 ZOKDTEQDAANZOO-UHFFFAOYSA-N 367.457 1.669 0 40 FDAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cn1ccnc1)c1ccccc1O2 12221360 NWZASRJGPCGMRN-OXQOHEQNSA-N 368.437 1.904 0 40 FDAB CN(C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 12974290 IGDMDJXZOJIXND-HZPDHXFCSA-N 370.405 1.534 0 40 FDAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 19373687 VUFAPXGXJKKESW-HNNXBMFYSA-N 372.406 1.894 0 40 FDAB CN(C)CCn1nc([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)c2cccnc21 19583136 PPTHBNQBGGWORX-GOEBONIOSA-N 357.458 1.488 0 40 FDAB COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 19625653 NWDGPJZVXJVFGE-UHFFFAOYSA-N 365.389 1.808 0 40 FDAB COC(=O)[C@@H](C[C@H](OC)c1c(O)cc2cc(C)oc(=O)c2c1O)OC 31168793 TWSUSRQZTZUYSD-NWDGAFQWSA-N 352.339 1.778 0 40 FDAB biogenic,in-vitro Cc1noc(C)c1CN1CC[C@H](N(C)C2=NS(=O)(=O)c3ccccc32)C1 1888875964 WESZIGDAQGXWAN-AWEZNQCLSA-N 374.466 1.947 0 40 FDAB Cc1nc2ccccc2nc1N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@H]2C1 1888897417 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1849680018 XGIVVXCJSFHMNT-MRXNPFEDSA-N 352.438 1.957 0 40 FDAB COc1ccc(CC(=O)N2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771848 FBUCRQAKGHMEAW-HXUWFJFHSA-N 370.453 1.540 0 40 FDAB NC(=O)C1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 40047598 FORXFSSISIFYGD-UHFFFAOYSA-N 358.438 1.994 0 40 FDAB COC(=O)c1ccc(C)c(O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40051901 JJSHQXIDZYKCQQ-GXTWGEPZSA-N 369.439 1.194 0 40 FDAB Cc1c(C(=O)NCCN(C)C)nnn1-c1ccc(Br)cc1 51318053 ZHMDTLOHQPTKAJ-UHFFFAOYSA-N 352.236 1.630 0 40 FDAB CC(C)CCN1C(=O)C[C@@H](N(C)Cc2nc3ccccc3c(=O)[nH]2)C1=O 102528421 LLGPLMWTJJPDCV-OAHLLOKOSA-N 356.426 1.529 0 40 FDAB CCc1nc(C)c2c(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)sc2n1 32903226 APXIGURGXUPGBL-SNVBAGLBSA-N 353.469 1.787 0 40 FDAB O=C(NC[C@@H](O)COc1ccccc1)C(=O)Nc1cccc2cccnc12 42002605 YFNBXXFIDOHVKE-OAHLLOKOSA-N 365.389 1.729 0 40 FDAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N2CCCC2)CC1 22799526 NJMFGWKLJCKFQD-INIZCTEOSA-N 368.481 1.979 0 40 FDAB Cc1cn([C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)[nH]c1=O 820563 KLRIRISYNSYJNW-JTQLQIEISA-N 366.588 1.737 0 40 FDAB O=C(NC[C@@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 54618781 XKXVSEVDWXBPQZ-SMDDNHRTSA-N 372.343 1.590 0 40 FDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 810390 QAKKMIHUWBVYCF-UHFFFAOYSA-N 354.472 1.555 0 40 FDAB Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 6234735 VKJPEQFQIOAZJP-UHFFFAOYSA-N 374.249 1.948 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1F 7983024 LWYPMUUWHXBNKY-LLVKDONJSA-N 362.382 1.996 0 40 FDAB C[C@@H](NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)C(=O)N1CCCC1 58006836 VQUNHBROXMCNCI-SECBINFHSA-N 366.805 1.803 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)c2cccs2)CC1 58181029 HLSHVBALHIEWBR-NSHDSACASA-N 352.460 1.177 0 40 FDAB CN(CC(=O)NCCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 36389681 ZRYWEEJBLRSWFY-UHFFFAOYSA-N 350.422 1.714 0 40 FDAB NC(=O)COc1ccc(CNC(=O)CN2CCc3sccc3C2)cc1 52432848 RECSBWQEINCUEJ-UHFFFAOYSA-N 359.451 1.287 0 40 FDAB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 100186973 KBHHTOSFOTZBJL-LSDHHAIUSA-N 367.336 1.386 0 40 FDAB Cc1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1I 48103431 IMHUINMQEBIDGS-LLVKDONJSA-N 372.206 1.998 0 40 FDAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12743271 MWAMATVTOQNEPE-MELADBBJSA-N 354.472 1.380 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=S)c2ccc3c(c2)OCO3)cc1 3338765 JJAXXTMEYUOEGY-UHFFFAOYSA-N 350.421 1.528 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1 3477700 LPTCLTJACSQMMS-KRWDZBQOSA-N 356.338 1.151 0 40 FDAB Nc1nc(N2CCC(C[C@@H]3CCCCO3)(C(=O)O)CC2)c2cn[nH]c2n1 71575381 MTXZWTSMQKQGSJ-NSHDSACASA-N 360.418 1.566 0 40 FDAB CCOc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1OC 6083574 PSCJRGQLBAIAQN-UHFFFAOYSA-N 366.395 1.699 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1OC 6082937 BYUGESNFSCBACQ-UHFFFAOYSA-N 364.427 1.005 0 40 FDAB O=C(Nc1cccc2ncccc12)C(=O)N1CCN(c2ccccn2)CC1 9341863 YIBMHNURRBAIIR-UHFFFAOYSA-N 361.405 1.917 0 40 FDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 95465272 KVJUBTPFHXOBLI-MRXNPFEDSA-N 363.439 1.648 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnnn1-c1ccccc1 7339971 QXANKOCASLNBGK-CYBMUJFWSA-N 363.443 1.458 0 40 FDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 7737754 WZHWJAWIXNFIBC-LJQANCHMSA-N 359.426 1.436 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C)o3)CC2)cc1 7716406 KKMUBSBMPPHUHG-UHFFFAOYSA-N 364.427 1.726 0 40 FDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cn1nnc2ccccc2c1=O 8327711 IPTLPEAXQCDNMT-IBGZPJMESA-N 361.361 1.143 0 40 FDAB CC[C@@H](C)NC(=O)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(C)cc2)C1=O 9077031 RWYRFCLYFNINLP-BFUOFWGJSA-N 374.441 1.776 0 40 FDAB CN(C)C(=O)NCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 306123479 AOLBEGWOGRIWSF-OAHLLOKOSA-N 371.441 1.830 0 40 FDAB CC(C)Oc1ccc2nnc(CCC(=O)N=c3[nH]c4ccccc4[nH]3)n2n1 72405797 ZWBCMYVORKWMAE-UHFFFAOYSA-N 365.397 1.781 0 40 FDAB O=C(O)c1nccnc1C(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1 72400972 ZYOCYXUTFBSSPY-UHFFFAOYSA-N 352.350 1.726 0 40 FDAB CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4cc(F)ccc4O3)cn2)CC1 76956437 HRNFYKVCYFYAPI-GOSISDBHSA-N 370.428 1.592 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)c1 20156597 YAAINSNKKNECOV-UHFFFAOYSA-N 358.397 1.968 0 40 FDAB CC1(C)[C@@H](C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)[C@H]1C(=O)O 71285383 MKYZZRVNPHZZHL-KGLIPLIRSA-N 366.439 1.694 0 40 FDAB COC1(C(F)(F)F)CCN(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 561117725 XHMNNDNSTARVBR-VXGBXAGGSA-N 363.380 1.893 0 40 FDAB O=C(c1cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n[nH]1)N1CCOCC1 72380506 FJPIOOJFCOTXGS-OAHLLOKOSA-N 360.458 1.778 0 40 FDAB CCCc1noc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 40049852 QWHNYSNKMGYFTD-UHFFFAOYSA-N 369.447 1.133 0 40 FDAB Cc1nc(C)c(CC(=O)NCCn2nc(-c3ccco3)ccc2=O)s1 44451276 XVSCYAHKGRFMAT-UHFFFAOYSA-N 358.423 1.936 0 40 FDAB COC(=O)N(C)CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 48094556 TVHHJNVWHFSIOA-OAHLLOKOSA-N 353.394 1.013 0 40 FDAB COCCn1nc([C@@H]2CCCN(C(=O)CC(C)C)C2)n(C2CC2)c1=O 77150251 GBYYTPWELIINLX-CQSZACIVSA-N 350.463 1.778 0 40 FDAB COc1ccc(O[C@H]2CCN(C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 225441108 VUTNAOUHMQTJPP-ZDUSSCGKSA-N 372.381 1.577 0 40 FDAB Cc1nc(CN2CC[C@H]3C[C@@H](C(=O)N4CCOCC4)O[C@@H]3C2)cs1 96042938 NONPODKKNHRHHF-CWRNSKLLSA-N 351.472 1.290 0 40 FDAB COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]3F)[nH]c2c1 96112384 VBPIUGUNEJSPOD-DOMZBBRYSA-N 373.388 1.812 0 40 FDAB biogenic,in-vitro COc1ccc([C@@H](NC(=O)Cn2c(O)nc3ccccc32)C(=O)O)cc1 584771717 AELMDIHZPNOIQS-MRXNPFEDSA-N 355.350 1.693 0 40 FDAB COCC(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247826954 JSALUIGMWSLONH-OAHLLOKOSA-N 372.425 1.006 0 40 FDAB Cc1ccc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)c(=O)n1C 257272867 NEDWSJJWCGYZET-LJQANCHMSA-N 356.426 1.829 0 40 FDAB CCn1cc(-c2ccnc3cc(C(=O)N4CCCN(C)CC4)nn23)c(C)n1 257250519 JMWIYKCIIDPCMS-UHFFFAOYSA-N 367.457 1.699 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1nccc(CN(C)C)n1 257332402 XXEANNUIYARJOH-QGZVFWFLSA-N 356.474 1.795 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)C3=NNC(=O)CC3)C[C@@H]2c2ccccc2)n1 253472929 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Cc1cnc(CNC(=O)c2cn3c(n2)[C@@H](C)N(C(=O)C(C)C)CC3)cn1 585096416 MYRVAHXTLOQSDT-CYBMUJFWSA-N 356.430 1.471 0 40 FDAB C[C@]1(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CC=CCC1 585110637 RNOXWDFWNWMGQL-FQEVSTJZSA-N 358.486 1.846 0 40 FDAB Cc1snnc1C(=O)N1CC[C@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 585106947 LUZBKNNBBROUIG-KBXCAEBGSA-N 356.451 1.935 0 40 FDAB O=C(COc1cccnn1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973533 NEUDBAHDPSAYPH-UHFFFAOYSA-N 363.377 1.163 0 40 FDAB Nc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1ccccc1 5078219 KJBLMRAVJYYRBC-UHFFFAOYSA-N 373.438 1.319 0 40 FDAB Cc1c(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 13624247 IBJKDHUFJUSAJB-NSHDSACASA-N 365.407 1.043 0 40 FDAB O=CN1CCN(C(=O)CSCc2ccccc2Br)CC1 13674589 GYVBKMRSJONFIQ-UHFFFAOYSA-N 357.273 1.983 0 40 FDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 13724113 UNGFXERJMWTEJJ-AWEZNQCLSA-N 366.439 1.752 0 40 FDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15331338 DCASMAXPILFGDS-GXSJLCMTSA-N 362.245 1.520 0 40 FDAB 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O=C([C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)N1CCOCC1 21967136 UBLYUYZFANEXJL-AAKUMTKESA-N 364.467 1.558 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 41671921 BDSUUAGUGFVQKH-ZDUSSCGKSA-N 368.455 1.249 0 40 FDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 782930 WOJQTKGDRHCQNJ-UHFFFAOYSA-N 360.435 1.842 0 40 FDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nnsc1Cl)C2=O 23276243 MCZJQSICWZJMGL-XLKFXECMSA-N 372.834 1.735 0 40 FDAB NS(=O)(=O)[C@H]1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 84519351 ZKNXSDDAXOLJBC-JKSUJKDBSA-N 351.472 1.103 0 40 FDAB CC(C)c1n[nH]c(SCCN2C(=O)c3ccccc3S2(=O)=O)n1 24755333 BWJOWASFXVOFDF-UHFFFAOYSA-N 352.441 1.865 0 40 FDAB Cc1cc2ncn(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)c2cc1C 1367249 UOEQBMHSNLZZKB-UHFFFAOYSA-N 365.436 1.538 0 40 FDAB Nc1nccnc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25339495 UOANKRCGLUVCFD-UHFFFAOYSA-N 360.727 1.968 0 40 FDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 107712450 DICNALMOVPTVOP-IRXDYDNUSA-N 354.472 1.819 0 40 FDAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1 12563138 RVFDJNHZQVBTEJ-UHFFFAOYSA-N 355.366 1.975 0 40 FDAB Cc1c(C(=O)NCCC(=O)NC(C)C)nnn1-c1cccc2cnccc12 95954777 GCSVDLGYPXOWLQ-UHFFFAOYSA-N 366.425 1.768 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2coc(-c3cccs3)n2)c1 8726638 QDLXHRNPJPQDCB-UHFFFAOYSA-N 365.436 1.863 0 40 FDAB COc1cc(CNC[C@]2(N3CCOCC3)CCSC2)cc2c1OCO2 58174618 PYZUBUIGWHCRDQ-GOSISDBHSA-N 366.483 1.721 0 40 FDAB C[C@H]1CO[C@H](C)CN1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 27642777 ONXCXECPNDWRIC-LSDHHAIUSA-N 354.472 1.317 0 40 FDAB CCCN1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CC1 26957179 MURHACRHKGGHOW-JKSUJKDBSA-N 353.894 1.922 0 40 FDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 50429295 XXNMGUZZNJVTJM-HUUCEWRRSA-N 355.438 1.557 0 40 FDAB CN(Cc1nccs1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000261 POZPCYUOYSIZRD-UHFFFAOYSA-N 351.453 1.429 0 40 FDAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 2643523 ASFSQLHDGKCMSJ-CYBMUJFWSA-N 363.723 1.786 0 40 FDAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 109634190 CLYYCWBYTFNUHF-GHXNOFRVSA-N 371.305 1.258 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCN1CCCC1=O 48291042 ZZQRLLMYMUTKHA-MRXNPFEDSA-N 374.420 1.033 0 40 FDAB Cc1nc2ccccc2nc1N1CCN(c2ncnc3c2cnn3C)CC1 12980580 RLQTVUYKRLSMNE-UHFFFAOYSA-N 360.425 1.942 0 40 FDAB CS(=O)(=O)/N=C(\O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 73086966 KFDRWYMFECDBRW-UHFFFAOYSA-N 352.269 1.689 0 40 FDAB Cc1sc2nc(CS[C@@H](C)C(=O)O[C@H](C)C(N)=O)[nH]c(=O)c2c1C 4492007 SQFSWQTTWVITCC-APPZFPTMSA-N 369.468 1.640 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2sccc2C1 14138504 RWIHWJSRXCCJBU-UHFFFAOYSA-N 362.432 1.478 0 40 FDAB CN(CCOc1ccccc1F)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 14244931 NNCARPXGEDGUDK-UHFFFAOYSA-N 371.368 1.366 0 40 FDAB CCOc1ccc(S(=O)(=O)Nc2cccn(CC)c2=O)cc1C(=O)O 414397044 QHJBPTPTVUIKCF-UHFFFAOYSA-N 366.395 1.766 0 40 FDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 6908233 NXRPDFPPIHQYLH-KRWDZBQOSA-N 365.389 1.366 0 40 FDAB COC(=O)c1nnn(CC(=O)Nc2ccc(C(C)C)cc2)c1C(=O)OC 4969599 WKSRTIGMTWJUJD-UHFFFAOYSA-N 360.370 1.613 0 40 FDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)NC2(CCCC2)C1=O 7287724 PYWMEVHGGLTFLN-UHFFFAOYSA-N 373.409 1.628 0 40 FDAB CS(=O)(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 15798657 FYHFBDOZWDKTIJ-UHFFFAOYSA-N 357.391 1.439 0 40 FDAB O=C(COc1cccc(-n2cnnn2)c1)NCCSc1ccccc1 8243384 JOWOTXYXSYIHNE-UHFFFAOYSA-N 355.423 1.950 0 40 FDAB COc1cc(C(=O)Oc2ccc(C(C)=O)cc2)cc(OC)c1OCC(N)=O 16959426 TZFAQDCSMIGHSE-UHFFFAOYSA-N 373.361 1.990 0 40 FDAB CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)N[C@H]1c1ccccc1 20283414 HOUQPNKKHGFUOR-SFHVURJKSA-N 372.469 1.495 0 40 FDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 92861073 KBWYXXZEEHYMAU-JTQLQIEISA-N 351.403 1.289 0 40 FDAB Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)sc1C 97009237 UKLOPCRPNRYUHZ-UHFFFAOYSA-N 367.452 1.966 0 40 FDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NCc1ccc(F)cc1F 72330876 GKWAYXMAVUDGLX-INIZCTEOSA-N 363.316 1.964 0 40 FDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710330 XNXDTRWSRVZHDP-UHFFFAOYSA-N 355.350 1.030 0 40 FDAB Cc1ccccc1N1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 23439497 RWZHCBDPQZGZII-IAGOWNOFSA-N 369.465 1.819 0 40 FDAB Cc1cc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1Cl 27983368 NCAJALNQONOANH-UHFFFAOYSA-N 368.842 1.991 0 40 FDAB COc1ccc(CCNC(=O)Cn2cnc3cc(N)ccc32)cc1OC 61719282 RKQZLAKUQOFSIW-UHFFFAOYSA-N 354.410 1.995 0 40 FDAB CN(C)CCN(C)CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)O 20462921 RXZSIFKFGJNTII-HOTGVXAUSA-N 355.523 1.855 0 40 FDAB biogenic,in-vitro CN1CCNC(=O)[C@@H]1CC(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 60016504 LKMOLOHEROWXEQ-TXTPUJOMSA-N 355.482 1.895 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408650846 ACMGCOGPOZADNK-RPLLJCPNSA-N 370.405 1.508 0 40 FDAB CCn1cc(CN2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)cn1 306139115 SPUPZVXNDXXXGP-SFHVURJKSA-N 372.473 1.295 0 40 FDAB CC(C)CCN1C[C@@H]2[C@H](NC(=O)c3ccco3)CCS(=O)(=O)[C@H]2C1 306129418 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1.736 0 40 FDAB CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@H]1C(N)=O 257204167 ATICQVPHRXMSRB-INIZCTEOSA-N 371.393 1.163 0 40 FDAB O=C(Nc1cncnc1-n1cccn1)[C@@H](C[C@H]1COCCO1)C(F)(F)F 622829048 RRFAYISHWJJNRT-WDEREUQCSA-N 371.319 1.585 0 40 FDAB Cn1cnc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)N2Cc2ccccc2)c1 630650623 PTMKHEMOIQYCAH-DLBZAZTESA-N 356.426 1.197 0 40 FDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(Br)ccc1C 643941757 NQXUJJGAJGWJPT-OAHLLOKOSA-N 355.232 1.864 0 40 FDAB CC(C)N1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ncn(C)n3)ccc21 585106388 VVAZTGHCCJSZPM-UHFFFAOYSA-N 369.425 1.871 0 40 FDAB O=C(c1csnn1)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111641 ZAPGLTNOBRTHCP-UHFFFAOYSA-N 365.369 1.692 0 40 FDAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)COc2ncccn2)C1 585275489 BPKQGNMSXWJXJU-IBGZPJMESA-N 357.410 1.860 0 40 FDAB CO[C@H]1C[C@H](NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 685939082 YFDWQWOULCLNPT-JHJVBQTASA-N 373.500 1.235 0 40 FDAB CCc1ccccc1OCC(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 685942295 HSWKSMVRDHSLKY-ARFHVFGLSA-N 358.442 1.427 0 40 FDAB Cc1cc(C(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)nc2nc(O)nc(O)c12 1300778824 AYPUBENBRONHRJ-MLCYQJTMSA-N 371.397 1.570 0 40 FDAB CC(C)CCOCCNC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 54915997 YMSCGFSZXFSVGZ-KRWDZBQOSA-N 367.471 1.694 0 40 FDAB COc1ccc(CC(=O)N2CCN(CCn3cccn3)CC2)cc1OC 62021993 NERYRPYQYIUEEA-UHFFFAOYSA-N 358.442 1.287 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(/C(O)=N/S(C)(=O)=O)CC2)cc1C 42280243 MZUQEVGDRZCIMG-UHFFFAOYSA-N 374.484 1.620 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 108086622 BAICXXCYCWAWJS-YVSFHVDLSA-N 368.522 1.120 0 40 FDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCC(C)(C)c1ccccc1F 1615085869 ADFIAKQDNBLDAY-IBGZPJMESA-N 350.434 1.983 0 40 FDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 5350640 UELILVPCFVCWEQ-INIZCTEOSA-N 364.417 1.676 0 40 FDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1 5653894 KXCJZUOKTVLWCK-CYBMUJFWSA-N 366.373 1.531 0 40 FDAB CCn1ncc(S(=O)(=O)NC[C@@H](O)COc2ccc(C)cc2)c1C 12239006 CEBHXPBMCFASLT-CQSZACIVSA-N 353.444 1.238 0 40 FDAB CCn1c(=O)n(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21 12460310 KWUSQMRVDSVJEG-UHFFFAOYSA-N 374.422 1.109 0 40 FDAB COc1ccc(NC(=O)Cn2nc(-c3ccncc3)n(N)c2=S)cc1 16778129 YFZJODAQWTYXFT-UHFFFAOYSA-N 356.411 1.837 0 40 FDAB Cc1noc(C)c1CCC(=O)NCCn1nc(-c2cccs2)oc1=O 19580800 CGASVNYVGQVTMF-UHFFFAOYSA-N 362.411 1.919 0 40 FDAB Cc1nc(CC(=O)N2CCO[C@@H](C(=O)N3CCCCCC3)C2)cs1 19747282 YYJDULAOOYAWLI-OAHLLOKOSA-N 351.472 1.624 0 40 FDAB CCOC(=O)C1=NN(C(=O)Cn2nc(C)cc2C)[C@](O)(c2ccccc2)C1 4557487 TWMOPIPBLRIEQT-LJQANCHMSA-N 370.409 1.497 0 40 FDAB CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2nc3ccccc3s2)C1=O 16699014 ZYPXMVAIOWKYFH-SNVBAGLBSA-N 353.425 1.151 0 40 FDAB O=C(c1cnccn1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841165 YVCHCFFDLBQCFF-HXUWFJFHSA-N 366.421 1.905 0 40 FDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3cc(OC)no3)CC2)CO1 1614930784 MNKRXBYZUBIYJK-LBPRGKRZSA-N 366.418 1.014 0 40 FDAB Cc1nc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@H]3C2)cs1 1565549022 LQTZUUYYMSHQJE-PBHICJAKSA-N 365.499 1.793 0 40 FDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1565546994 LJOPXFZYSZNKIP-LPHOPBHVSA-N 363.458 1.521 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)n1 1565554082 JPVLZTXMYDXYAU-GOSISDBHSA-N 368.397 1.205 0 40 FDAB CN(C)CCOC[C@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2nnn(C)c21 1565551706 VJPZRTMQCAXALG-BEFAXECRSA-N 361.490 1.566 0 40 FDAB COc1ccc2c(c1)CCN(C(=O)Cn1nnc3ccccc3c1=O)C2 44451386 KGDJRGOBXFPVBG-UHFFFAOYSA-N 350.378 1.385 0 40 FDAB Cc1nc(N2CCN(CC3(O)CCCCC3)CC2)cc(-n2cccn2)n1 2298187873 OFUJNYHCOLCBIX-UHFFFAOYSA-N 356.474 1.788 0 40 FDAB CC(C)n1nccc1NC(=O)c1nc(N2CCOCC2)ncc1Cl 40153312 DPUILZNSZZGVAU-UHFFFAOYSA-N 350.810 1.996 0 40 FDAB Nc1nc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc(Nc2ccccc2)n1 100748032 USZISIUFCLQOTM-CHWSQXEVSA-N 350.382 1.649 0 40 FDAB C[C@@H]1CN(CC(=O)NC(=O)Nc2ccc(Br)cc2)CCO1 24014643 YYHYIXGTHXMXHS-SNVBAGLBSA-N 356.220 1.818 0 40 FDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1c(F)cccc1Cl 47636324 VKNKQMHECSDTAH-SWLSCSKDSA-N 356.825 1.946 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 3881718 XYPPDQHBNJURHU-LFGUEBOJSA-N 356.503 1.855 0 40 FDAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)CSc1nnc2[nH]c(=O)ccn12 4249830 GZOUNFNBZFAMQE-UHFFFAOYSA-N 365.802 1.810 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 56037232 NJNDNXBDZZRPJZ-ZDUSSCGKSA-N 363.888 1.989 0 40 FDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3OC)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4884825 NMLBEPAFAIBCIS-XMDUPGNXSA-N 360.410 1.282 0 40 FDAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1=COCCO1 6271148 YYXFOFKHDOMXTP-UHFFFAOYSA-N 352.412 1.688 0 40 FDAB Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c(=O)n(-c2ccccc2)n1C 7929547 MDTKCXGBADGGQN-ZIRHEVKLSA-N 367.405 1.621 0 40 FDAB COc1cccc(CNC(=O)COC(=O)c2ccccc2-n2cnnn2)c1 7984151 IBXJUIPVNYOPKO-UHFFFAOYSA-N 367.365 1.144 0 40 FDAB Cc1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[C@H]2CCCOC2)o1 108138418 MBZMDWNZAWMOLX-PMPSAXMXSA-N 364.442 1.715 0 40 FDAB Nc1ccccc1C1=NC(=O)[C@@]2(CC(c3cc4ccccc4o3)=NN2)NN1 12534119 MCOYFIKZVJFYTF-LJQANCHMSA-N 360.377 1.490 0 40 FDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccc2O)CC1 57456058 OKDYDXQIIBNJPN-GFCCVEGCSA-N 374.466 1.702 0 40 FDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)c1nccnc1N 10141547 YQBXPLRBIGNVEP-UHFFFAOYSA-N 371.397 1.240 0 40 FDAB CCCCc1noc(Cn2cnc3c(c(Br)nn3C)c2=O)n1 58279699 SHDMEGNCCLBLHI-UHFFFAOYSA-N 367.207 1.666 0 40 FDAB COCCOc1ncccc1C(=O)N1CCN(C(=O)OCC(C)C)CC1 58344256 HNWVSKJOYGVUEB-UHFFFAOYSA-N 365.430 1.657 0 40 FDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(NC(C)=O)cc1 9953045 WEGLZDISZXOYQK-OAHLLOKOSA-N 363.439 1.627 0 40 FDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102593182 PXSNVBYMSGMFIC-UJWMZTGESA-N 364.401 1.881 0 40 FDAB CC1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)CC1 36389699 QLCZGNQMOOWLMQ-UHFFFAOYSA-N 371.528 1.313 0 40 FDAB COC(=O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 24353560 USLRPIGBUXANLQ-ZDUSSCGKSA-N 363.391 1.592 0 40 FDAB Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1 22913844 KGCXFWNUCFYYJI-GOSISDBHSA-N 372.513 1.952 0 40 FDAB C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C(=O)NC(N)=O 11548035 ZNQMNAOSLLMVGE-SECBINFHSA-N 360.345 1.240 0 40 FDAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1 3283789 OVXXEWGGWYOUTQ-ZDUSSCGKSA-N 358.369 1.976 0 40 FDAB C[C@@H](C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)n1cncn1 29863574 ZMEFICOXGORNLS-ZDUSSCGKSA-N 370.409 1.732 0 40 FDAB C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 23248740 CYTSUJZLLFQIEJ-IYBDPMFKSA-N 364.534 1.499 0 40 FDAB Cc1cccc(CN2CCN(C(=O)CSc3nnc(N)s3)CC2)c1 12866282 KQCWQLYSTDXIAP-UHFFFAOYSA-N 363.512 1.865 0 40 FDAB NC(=O)c1cccnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 12892159 XAMVTKDWJRBDMD-UHFFFAOYSA-N 354.410 1.274 0 40 FDAB CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 13079021 PGNUNEVKABWUOR-UHFFFAOYSA-N 362.407 1.864 0 40 FDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)N1CCN(c2ccccn2)CC1 13656389 BEMAOIPQFAEOLZ-UHFFFAOYSA-N 372.820 1.162 0 40 FDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 4370450 GBYUFZFLMMGTMY-UHFFFAOYSA-N 363.299 1.992 0 40 FDAB COc1cc(C(=O)NCCc2csc3ncnn23)cc(OC)c1OC 5451704 OQUVQASXIZMUBL-UHFFFAOYSA-N 362.411 1.789 0 40 FDAB Cc1nc2nc(NC(=O)C(C)C)[nH]c(=O)c2nc1[C@@H](C)OC(=O)C(C)C 5440863 WZCINPNGMCBGDV-SNVBAGLBSA-N 361.402 1.876 0 40 FDAB C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 6588936 LAVLPVCLVWCDOJ-CYBMUJFWSA-N 371.393 1.804 0 40 FDAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 15326931 LNLGFSMIIRBOJC-UHFFFAOYSA-N 366.439 1.169 0 40 FDAB O=C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 9420444 CQWGHSKDLWBIPG-CQSZACIVSA-N 350.440 1.279 0 40 FDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CN2CCSC2=O)c1 7116678 FPWKUBWYDPTJHR-UHFFFAOYSA-N 371.484 1.871 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1 15753873 FPLXCHLWDZLBQS-UHFFFAOYSA-N 358.375 1.455 0 40 FDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(Br)cc1 16045520 KNAHDDNGLMZQLF-UHFFFAOYSA-N 351.156 1.933 0 40 FDAB O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC1=O)c1ccccc1 69331806 WYCIRZMYUALWEF-QZTJIDSGSA-N 365.433 1.423 0 40 FDAB Cc1nc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)n(CC(C)C)c1C 8483885 HADBTGPLUQBDMQ-UHFFFAOYSA-N 365.459 1.100 0 40 FDAB O=C(NCCNC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccnc1 72027865 LEVVECNKXHCOHJ-GOSISDBHSA-N 352.438 1.592 0 40 FDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 8708849 COEWCBCJQYOJFS-AWEZNQCLSA-N 352.456 1.580 0 40 FDAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(S(N)(=O)=O)nc1 95451521 MDXYJIWPMWWUCP-UHFFFAOYSA-N 368.802 1.593 0 40 FDAB COC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 95461146 AHZHIHLNSKHXQL-JTQLQIEISA-N 371.397 1.355 0 40 FDAB Cc1nc2ccc(CN3CCN(S(=O)(=O)c4cccnc4)CC3)cc2[nH]1 95941570 WITLGJVKXKNNAE-UHFFFAOYSA-N 371.466 1.773 0 40 FDAB CCNC(=O)C1CN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 75094604 XCLMGDPWBZZRSX-OAHLLOKOSA-N 369.469 1.884 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21 306130401 JFBZVXMZONESAK-OAHLLOKOSA-N 373.482 1.861 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCc1cccc(CN2CCOCC2)c1 77615050 VCYPMEHGYLJGFT-UHFFFAOYSA-N 365.455 1.602 0 40 FDAB COC[C@@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218161101 ZMQZTOVLBDASGG-FGTMMUONSA-N 361.419 1.699 0 40 FDAB CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 225427115 OLYVMOHTTMQCAZ-UHFFFAOYSA-N 358.470 1.763 0 40 FDAB O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514288967 HKTWJBRDIBAVAI-WOJBJXKFSA-N 369.509 1.504 0 40 FDAB biogenic,in-vitro Cn1cccc1C(=O)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061756 IUHGZZZPPUKPKT-VWKPWSFCSA-N 362.433 1.823 0 40 FDAB O[C@@]1(CNCc2ccc(OCCF)cc2)CCCN(c2ncccn2)C1 257220828 DMIJQAUMCAXBBE-LJQANCHMSA-N 360.433 1.946 0 40 FDAB CN1C[C@@H]2COCCN2C2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 604381901 UPRPTCHCRHNGAX-OAHLLOKOSA-N 369.387 1.546 0 40 FDAB biogenic,in-vitro C[C@@H](C(=O)NC[C@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260764520 JMBDEADZIVDXGL-CMPLNLGQSA-N 362.398 1.415 0 40 FDAB CNc1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1F 636270648 HIOCORNYUDAROQ-GFCCVEGCSA-N 355.377 1.314 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(C)c(Cl)s1 643971265 GBIAVRIJQPJCLN-GFCCVEGCSA-N 353.849 1.964 0 40 FDAB Cc1c(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)cnn1-c1ccccc1 644393470 ADDUXGZCINPCTN-MRXNPFEDSA-N 351.414 1.533 0 40 FDAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@@](C)(C(F)F)C1 663315931 QCLBZQGYMLSRNQ-PIGZYNQJSA-N 356.369 1.746 0 40 FDAB Cc1nc([C@@H]2COCCN2C(=O)N=c2cc[nH]cc2Br)no1 679568444 OSDUIUZIZWRTMB-NSHDSACASA-N 368.191 1.563 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@]1(C)CCS(=O)(=O)C1 575426599 WPXLIGLKSIWPNH-ZDUSSCGKSA-N 351.877 1.846 0 40 FDAB O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585291500 PITRGHIRACLMDD-NSPXQGLOSA-N 360.454 1.352 0 40 FDAB COCCN1CCC[C@]12CCCN(C(=O)c1cnc(N(C)C)o1)CC2 585100107 FULUOQQMEBEDPY-SFHVURJKSA-N 350.463 1.848 0 40 FDAB O=C(OC[C@@H]1CCCO1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 67650847 GHXOCKBEQQPJPX-GVDBMIGSSA-N 370.405 1.983 0 40 FDAB Cc1c(C(=O)NC2(C(N)=O)CCCC2)nnn1-c1cccc2ncccc12 70889103 ZZPHIVJRWFLURP-UHFFFAOYSA-N 364.409 1.652 0 40 FDAB O=C([C@@H]1COCCO1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 78190374 KYYSFJOKRHTPJN-IBGZPJMESA-N 372.465 1.832 0 40 FDAB CNc1cccc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)n1 1615143571 PTVAWXQNLGHKAV-HXUWFJFHSA-N 355.438 1.878 0 40 FDAB COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 5396955 OJQWBQSWYQIIJG-GOEBONIOSA-N 353.422 1.893 0 40 FDAB biogenic,in-vitro COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)cc1OC 11049625 RBBAYRBGZQSNNL-UHFFFAOYSA-N 360.414 1.105 0 40 FDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)Cn3cncn3)C2)C1 12087165 NGTCYPFLTGNPPY-LJQANCHMSA-N 369.425 1.080 0 40 FDAB COc1ccc2c(=O)c(NC(=O)NCCCN3CCOCC3)c[nH]c2c1 13566013 IZDYLAFRJYIPHJ-UHFFFAOYSA-N 360.414 1.381 0 40 FDAB C=CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(C)=O)nn3c(O)c2C1 19017260 PGMLQFLBENDDMY-INIZCTEOSA-N 369.425 1.579 0 40 FDAB CCN1CCN(c2nc(O)cc([C@@H]3CC(=O)N(C4CCCCC4)C3)n2)CC1 19528235 CZUWDVYSXSWJFC-OAHLLOKOSA-N 373.501 1.973 0 40 FDAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)CN(C)C)C1 19696023 IVSDQHMHHRRLNQ-FQEVSTJZSA-N 370.453 1.410 0 40 FDAB Cc1ccn(CC(=O)N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)c(=O)c1 623173427 COBONCHTZPEFSR-TZMCWYRMSA-N 358.398 1.406 0 40 FDAB C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(C)c(=O)c2S1 4107735 ONBWYZGZQILEDQ-UWVGGRQHSA-N 355.485 1.204 0 40 FDAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C(C)(C)C)nn4)C[C@@H]3C2)cn1 1888855709 ALSXAEUHTVPOGF-GASCZTMLSA-N 354.458 1.716 0 40 FDAB COCc1nsc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888863844 GYVGNBJDOSAVQQ-NXEZZACHSA-N 366.422 1.200 0 40 FDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncc(F)c5)C[C@H]4C3)nn12 1888882039 XQGIUAKPTLQGCE-ZIAGYGMSSA-N 367.388 1.175 0 40 FDAB COCCn1c(=O)n(C[C@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888922047 AWRVFEMIDXUEBC-LLVKDONJSA-N 361.423 1.598 0 40 FDAB Cn1cc(C(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)nn1 1889119478 WANMTAXSQQGZEA-GWCFXTLKSA-N 366.347 1.580 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 24470641 QBNAQHWSUSTKJV-UHFFFAOYSA-N 368.455 1.582 0 40 FDAB COc1cc(C)n(CCNS(=O)(=O)c2cc(F)ccc2OC)c(=O)c1 252487381 HVLSBPRLAHCXFZ-UHFFFAOYSA-N 370.402 1.292 0 40 FDAB Cc1cc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)no1 11726736 HLEZHOYMFYIQHG-UHFFFAOYSA-N 363.355 1.620 0 40 FDAB Cc1nc(CN2CC3(CCN(C(=O)c4ncn(C)n4)CC3)CC2=O)cs1 2055795821 CXXGHVOAGVEFMU-UHFFFAOYSA-N 374.470 1.235 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CCc1ccc[nH]1)C2 2055812414 MQZZLALPTXAETP-LJQANCHMSA-N 372.494 1.959 0 40 FDAB O=C(Cn1cccn1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970546 FJPXKDDGFWGDEK-UHFFFAOYSA-N 363.421 1.971 0 40 FDAB NC(=O)C1CCN(C(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)CC1 240122582 WDKRDLZAUMNWHG-UHFFFAOYSA-N 365.437 1.304 0 40 FDAB O=C1C[C@@H](CN2C(=O)NC3(CCCC3)C2=O)CN1CCc1ccccc1 2298048603 GIQUQDUOFPFYJD-MRXNPFEDSA-N 355.438 1.942 0 40 FDAB O=S(=O)(NCC[C@@H](O)c1cccs1)c1ccc2c(c1)OCCO2 77114923 BWGLOMXAEADDIB-GFCCVEGCSA-N 355.437 1.921 0 40 FDAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 13734668 MOVXILPHJSYAAV-RUXDESIVSA-N 374.503 1.621 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)C[C@H](C)O1 40089344 KUHGNMQAEYRAFR-RYUDHWBXSA-N 360.863 1.509 0 40 FDAB CC(C)[C@@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 40033608 JFGHDVGFXKMZGX-GOEBONIOSA-N 358.891 1.930 0 40 FDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCCN(c2ncccn2)C1 40145654 SJGJYGDIRQABEH-CQSZACIVSA-N 366.487 1.309 0 40 FDAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@H](C)n2cncn2)CC1 31430022 VHNXLHQMVSPCFI-ZDUSSCGKSA-N 357.414 1.725 0 40 FDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3(C)C)cc2C1 40656293 VUOXQDXPXKUPKQ-UHFFFAOYSA-N 352.456 1.391 0 40 FDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)n[nH]1 21096339 COMBTAWHJMSAKG-UHFFFAOYSA-N 355.372 1.404 0 40 FDAB Cc1nc(CN2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)cs1 53346041 UJWXCDRHFZGABO-UHFFFAOYSA-N 350.469 1.570 0 40 FDAB CCCC(=O)N1CSC[C@@H]1C(=O)NCc1nnc(C2CCC2)n1C 96012082 FPHTZYGWWJSFBT-GFCCVEGCSA-N 351.476 1.400 0 40 FDAB O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1Cc2ccccc2O1 25153099 INNQNYNCLQCWOX-LBPRGKRZSA-N 352.437 1.146 0 40 FDAB COC(=O)C1CCN(C(=O)CSc2nc3nc(C)cc(C)n3n2)CC1 3340976 QJMWGJSUTKAJPE-UHFFFAOYSA-N 363.443 1.245 0 40 FDAB CC1(C)Cc2cccc(OCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2O1 6588025 MUWOYVANAPODCC-KRWDZBQOSA-N 353.440 1.472 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C(=O)NC2CCCCC2)C1 58192737 RSAHQCVBANQQRC-KBPBESRZSA-N 352.479 1.382 0 40 FDAB COC(=O)c1cccc(OCCSc2nnnn2C[C@H]2CCCO2)c1 58166652 JHZFELQFFJAVTO-CQSZACIVSA-N 364.427 1.810 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1 58343199 QJXOSARSVSGPQX-HNNXBMFYSA-N 361.442 1.142 0 40 FDAB Cn1cc(-c2nc(C(=O)N3CCN(c4cnccn4)CC3)cs2)cn1 45057550 VQKQACDIORMYNG-UHFFFAOYSA-N 355.427 1.296 0 40 FDAB CCOC(=O)N1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 10890686 JZGYMLHZORLMIB-UHFFFAOYSA-N 369.443 1.409 0 40 FDAB CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1cc(C)on1 36391070 AJLDYWVWXYBVNG-HNNXBMFYSA-N 350.806 1.994 0 40 FDAB CNC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 28808630 YCSGJXADJZCOHO-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB COc1ccc(OC)c([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 36678927 KTCYJXGABFVZPV-PXAZEXFGSA-N 373.409 1.333 0 40 FDAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)cc(N)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108880287 RVKUQAVFGAMYNL-RCWTZXSCSA-N 364.475 1.384 0 40 FDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(F)ccc1F 45896205 RYMFVBRMCKANPR-CYBMUJFWSA-N 351.313 1.430 0 40 FDAB CCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 46071608 HCQBPNIPSJKXRK-UHFFFAOYSA-N 362.407 1.864 0 40 FDAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 46714675 XVSJLFAGGDEUMR-HNNXBMFYSA-N 370.453 1.085 0 40 FDAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Cn3cnnn3)CC2)cc1 46890315 MNARYJJOKDJAGV-UHFFFAOYSA-N 355.442 1.993 0 40 FDAB CC(C)NC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2 107263381 NUZBTFSGUQQFQX-AEGPPILISA-N 356.419 1.128 0 40 FDAB Nc1nnc(SCC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)s1 2802808 DOZXPSRIRDFGST-UHFFFAOYSA-N 354.369 1.248 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCc1ccccc1Br 101220681 ZFLPDMLARUAPFU-CYDGBPFRSA-N 352.184 1.720 0 40 FDAB COc1cccc([C@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c1 104279897 MDWDMHAQRUPRNF-INIZCTEOSA-N 355.398 1.221 0 40 FDAB COc1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 12635648 QPJJONVJBXAQIQ-HUUCEWRRSA-N 372.421 1.613 0 40 FDAB COc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cc1 67897420 UTOLLSJOUJQGAC-MOPGFXCFSA-N 366.417 1.947 0 40 FDAB biogenic,in-vitro CCN1CCC(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 22992108 PYKCVQSOLKJWSE-CYBMUJFWSA-N 365.499 1.611 0 40 FDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@@H](CO)C1 12915625 RDIMAWBFLLUOSQ-CYBMUJFWSA-N 353.850 1.441 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccccc2F)C1 13145957 FCKYNNPAJXAQHG-BETUJISGSA-N 350.390 1.603 0 40 FDAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 9359709 IPYWOFUKPYBELF-JTQLQIEISA-N 363.761 1.666 0 40 FDAB COC(=O)c1ccc(CSC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1 4294124 AISGUKMKDYJASN-GFCCVEGCSA-N 359.494 1.768 0 40 FDAB O=S1(=O)C[C@@H](O)[C@@H](NCCC2CCN(Cc3ccccc3)CC2)C1 13725266 JFETWLBYAQPVFG-ZWKOTPCHSA-N 352.500 1.036 0 40 FDAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)CCN1C(=O)CCC1=O 39995432 LGVMHOBNVDRJFG-AWEZNQCLSA-N 360.410 1.604 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)OCCC(C)C)CC1 65565268 HVOIWPILEWHZEB-HNNXBMFYSA-N 363.524 1.168 0 40 FDAB COc1cc(CC(=O)Nn2cnc3ccccc3c2=O)cc(OC)c1OC 14604783 IKKFQCJCDRTFMU-UHFFFAOYSA-N 369.377 1.735 0 40 FDAB Cc1ncsc1CN(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 66598463 PSOKRDWCKIRYAK-UHFFFAOYSA-N 360.505 1.265 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccco2)c1 15470735 WHEMTIUWMICXGG-UHFFFAOYSA-N 359.382 1.505 0 40 FDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(C)c3C)C2=O)cc1 7498234 AKJPBNVGPADXIH-UHFFFAOYSA-N 369.377 1.829 0 40 FDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ncccn2)CC1 7735571 SMWQOHMNOSSRQX-AWEZNQCLSA-N 369.400 1.317 0 40 FDAB COc1cc(CNc2ccn(CCS(C)(=O)=O)n2)cc2c1OCO2 83921505 YRVWKIZLNVVPGB-UHFFFAOYSA-N 353.400 1.277 0 40 FDAB O=C(Cn1nc(Br)nc1Br)N1CCCCC1 8296442 PNVVTXDFAUMTLI-UHFFFAOYSA-N 352.030 1.816 0 40 FDAB Cc1ccc(Nc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)cc1F 9835618 QKWBLDFQQLJRHH-UHFFFAOYSA-N 361.402 1.981 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCCCOCc2ccco2)cc1 18179355 ZJFFDTRUZFXFFW-UHFFFAOYSA-N 353.400 1.655 0 40 FDAB CC[C@H](CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)Oc1cccc(F)c1 95992618 DAFSWLCHITYUFZ-OCCSQVGLSA-N 372.418 1.338 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38490386 QYEMGUQXZLFKAM-OLZOCXBDSA-N 374.466 1.578 0 40 FDAB NC(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccc(Cl)cc32)cc1 31835637 SWXDNPWLOOFCLE-UHFFFAOYSA-N 359.769 1.803 0 40 FDAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72360306 WEFNAFMAABSKNA-LLVKDONJSA-N 369.476 1.323 0 40 FDAB CN1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)c2cnccc21 189441899 JLGNIFOBVWOSEA-UHFFFAOYSA-N 359.451 1.845 0 40 FDAB CN1CCN(C[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)CC1 71283621 YTUHMCNWLQGWGF-LBPRGKRZSA-N 373.375 1.982 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N2CCOCC2)nc1 224274448 BIDHAFXOZHRVBW-UHFFFAOYSA-N 364.427 1.431 0 40 FDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1 573120811 GKLKLLPRRXTJCN-AWEZNQCLSA-N 362.455 1.473 0 40 FDAB CCOc1ccc(/C=C(\C(=O)NCCN(C)C)n2ccccc2=O)cc1 199401509 CKHBYBSQPNJTGO-OBGWFSINSA-N 355.438 1.923 0 40 FDAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N1CCOC[C@H]1C(N)=O 583619960 RLZSMNLNRRACAH-FTRWYGJKSA-N 358.438 1.563 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCCO)cc1 194995900 LMKLDNSKBDVBSZ-CQSZACIVSA-N 354.472 1.752 0 40 FDAB Cc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNS(C)(=O)=O)C2)cc1 96207832 LXSHKIRSHIBCKJ-MSOLQXFVSA-N 352.500 1.915 0 40 FDAB CN(Cc1ccccn1)C(=O)C[C@]12COC[C@H]1CN(c1ncccn1)C2 96206605 LVXKMCKTGVCPOY-BEFAXECRSA-N 353.426 1.373 0 40 FDAB COC[C@H]1CN(C)CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 248127663 MHUCUAFYTIYMQR-MRXNPFEDSA-N 360.454 1.775 0 40 FDAB O=S1(=O)CC[C@@H](COCc2ccccn2)C12CN(Cc1cccnc1)C2 247351863 WHYNNIOIFSSMMC-KRWDZBQOSA-N 373.478 1.683 0 40 FDAB O=C(NCC[C@H]1CCOC12CN(c1ncc(F)cn1)C2)c1ccncc1 247467839 DDKWAYMQZVDQNR-AWEZNQCLSA-N 357.389 1.426 0 40 FDAB Cc1cccc(Cl)c1N1CCN(S(=O)(=O)N2CCO[C@@H](C)C2)CC1 585083751 FWQHBVDHMMUZBZ-AWEZNQCLSA-N 373.906 1.736 0 40 FDAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2O)c1 257322319 WFMAJIFBBYLSMP-HZPDHXFCSA-N 359.382 1.012 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257258946 KWEWMVGSKLBJOM-HNNXBMFYSA-N 358.446 1.036 0 40 FDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257246985 IWVMRNFCSFLRII-QGZVFWFLSA-N 355.394 1.957 0 40 FDAB Cc1ccc(CC(=O)N2CCN(C(=O)c3cccn(C)c3=O)CC2)cc1 264286811 ZZGDRPICKAZOGW-UHFFFAOYSA-N 353.422 1.221 0 40 FDAB CN1CCN(CCCS(=O)(=O)N2Cc3cc(F)c(F)cc3C2)CC1 632537334 GYNTVTWSGVKVQG-UHFFFAOYSA-N 359.442 1.248 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1Cc1ccc(Cl)cc1-n1cncn1 643878042 HRMYGKGKIVKXHE-MRXNPFEDSA-N 350.806 1.986 0 40 FDAB O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585275935 BFBSFKLLWPJBSF-LJQANCHMSA-N 359.401 1.872 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)NC[C@H]3CC=CCC3)cc2)CCN1 69109994 UFOQCJUSKZNTPF-HNNXBMFYSA-N 370.453 1.414 0 40 FDAB Cn1c(O)nc(N2CCC(COc3cc(C4CCC4)ncn3)CC2)cc1=O 1565522223 LAVODBIJBHCFGJ-UHFFFAOYSA-N 371.441 1.839 0 40 FDAB O=c1cc(CN(Cc2ccccc2)C[C@@H](O)C(F)(F)F)[nH]c2ccnn12 679676053 UQBIPMZDDVJQLO-CQSZACIVSA-N 366.343 1.948 0 40 FDAB O=C(CSc1nnc(Cc2ccccc2)c(=O)[nH]1)Nc1nccs1 5154723 WKRBKGHIANSKCS-UHFFFAOYSA-N 359.436 1.943 0 40 FDAB COCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152796 CJOFTBICKSLWGR-MRXNPFEDSA-N 357.410 1.262 0 40 FDAB CCc1cc(=O)oc2cc(OCC(=O)NCCCN3CCCC3=O)ccc12 5204435 MHSPBHDSTTWARV-UHFFFAOYSA-N 372.421 1.863 0 40 FDAB CN(C(=O)CSc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 5627130 ULZXWMFMKWBCFU-ZDUSSCGKSA-N 350.465 1.972 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13522384 QJLVSWMMXNBJGU-BREBYQMCSA-N 366.336 1.775 0 40 FDAB Cc1nc(C2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)c2cccnc2n1 19240650 NCRIWSYNUBEZDY-CQSZACIVSA-N 369.469 1.760 0 40 FDAB Cc1cc(C(F)(F)F)nc(N2CCC(CNS(C)(=O)=O)CC2)n1 585082682 HVERRACGPZXPON-UHFFFAOYSA-N 352.382 1.569 0 40 FDAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN([C@H]2CCCNC2=O)CC1 1888844428 CDXOAKNOQUJSMX-SFHVURJKSA-N 372.444 1.835 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(F)cc1 24988600 ZBEBUMUBFSZPTJ-QGZVFWFLSA-N 362.426 1.828 0 40 FDAB CCCS(=O)(=O)N1CCN(C)C[C@H](Cc2ccnc3cccnc23)C1 2037838235 AEWSBFPANFVRTH-HNNXBMFYSA-N 362.499 1.776 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c(OC)c1 2710802 AWCQXXFGIIXRLS-UWVGGRQHSA-N 352.412 1.521 0 40 FDAB O=C(Nc1cccnc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4273358 QJGWUDYILHNSQX-ZDUSSCGKSA-N 354.366 1.780 0 40 FDAB CN1C(=O)c2cccc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C1=O 4263822 ZSIVLFHUYKFXIZ-UHFFFAOYSA-N 363.329 1.147 0 40 FDAB COC(=O)c1ccc(Cn2cnc3c(nnn3-c3cccc(F)c3)c2=O)o1 5056671 PBOIJBIXQYVAQL-UHFFFAOYSA-N 369.312 1.544 0 40 FDAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccco1 6345179 ANWHJSFASNLVCU-ZDUSSCGKSA-N 354.391 1.654 0 40 FDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2)n1 7419054 NEIFPYJJAUCJPD-UHFFFAOYSA-N 357.345 1.729 0 40 FDAB COc1cnccc1C(=O)N1C[C@H](C(=O)NCC2CC2)C2(CCOCC2)C1 2055796052 POYIVTABHXPRMQ-MRXNPFEDSA-N 373.453 1.485 0 40 FDAB CCOc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1F 23127584 WHCRGWOMILBRPA-UHFFFAOYSA-N 374.478 1.861 0 40 FDAB O=C([C@@H]1CN(CC(=O)N2CCCc3ccccc32)CCO1)N1CCCCC1 2086864812 KSSQFYDPOBRLTQ-IBGZPJMESA-N 371.481 1.679 0 40 FDAB O=C(CCSc1ccccc1)NCCn1c(O)nc2ncccc2c1=O 575610003 IRNVDMONZIJIJX-UHFFFAOYSA-N 370.434 1.796 0 40 FDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Oc4ncc(F)cn4)C3)nc2n1 575614151 XCAKLSXOEFDUEQ-CYBMUJFWSA-N 371.376 1.354 0 40 FDAB C[C@H]1CN(c2ncc(Br)cn2)CCN1Cc1cnn(C)c1 2298029630 WFWFUWJYAVNVJX-NSHDSACASA-N 351.252 1.683 0 40 FDAB O=C(NCCCCNC(=O)NCc1ccccn1)NCc1ccccn1 40544880 YYPMMTXVQJFDFJ-UHFFFAOYSA-N 356.430 1.555 0 40 FDAB O=C(Cc1noc(C(=O)NCCc2ccc(O)cc2)n1)Nc1ccccc1 32073861 IDRQUTIZGYSGOJ-UHFFFAOYSA-N 366.377 1.929 0 40 FDAB COc1ccc(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C)c3ccccc32)cc1 101662656 OUGBZHVRKVFXRF-KRWDZBQOSA-N 367.405 1.188 0 40 FDAB O=C(O)c1cn(CCN2CCOCC2)cc2c(=O)n(-c3ccccc3)nc1-2 101729724 SLXIUGDBFWJIPZ-UHFFFAOYSA-N 368.393 1.169 0 40 FDAB CC[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1cc(C)on1 32837574 ANIQPLZEIMOMCC-CYBMUJFWSA-N 370.365 1.804 0 40 FDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1C1OCCO1 104093967 CAJHXQJCUYDAIJ-RBSFLKMASA-N 364.442 1.306 0 40 FDAB COC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 54040590 BYVKURMCCDWGNY-UHFFFAOYSA-N 367.383 1.018 0 40 FDAB C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cccc(S(N)(=O)=O)c1 105129964 MAIKUEBUTDYVTI-ASHKBJFXSA-N 366.439 1.640 0 40 FDAB O=C(c1cc2ccccc2s1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23732925 CLXYYFBMTGVHKA-CQSZACIVSA-N 364.492 1.846 0 40 FDAB O=C1CN(C(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)CCN1 24241938 YNGFFUIEAGAGCY-CQSZACIVSA-N 358.467 1.782 0 40 FDAB CC(=O)N1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)CC1 55094210 JKCGIRDWZMIBQA-LBPRGKRZSA-N 355.847 1.975 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 106795748 IOXCXVRWFTUMSY-INIZCTEOSA-N 359.403 1.742 0 40 FDAB COc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1 4388899 NDJOCFOFPNLSSI-UHFFFAOYSA-N 363.462 1.944 0 40 FDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 6204449 ZTJLBSPTZQSVII-UHFFFAOYSA-N 363.277 1.986 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C1CCCCC1)C2=O 6376952 LNSURSRJWAQTCT-UHFFFAOYSA-N 365.430 1.642 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 7312686 VZOXPCHROOPRQH-UHFFFAOYSA-N 372.425 1.630 0 40 FDAB COc1ccc(OC)c(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)c1 35300906 MIAMETUYOBQGLH-KRWDZBQOSA-N 369.421 1.555 0 40 FDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2COc3ccccc3C2)c1 57892803 KURZBFFKZJQGDR-CQSZACIVSA-N 374.462 1.918 0 40 FDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@]1(O)CCCc2ccccc21 109015863 UZSSKQMBKQMKAY-OAQYLSRUSA-N 370.497 1.879 0 40 FDAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3CN3CCCC3)ccc2N1 58014169 KHVQUFZEVKAZAQ-HNNXBMFYSA-N 363.483 1.820 0 40 FDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)c1ccccc1 9001469 ANEOXZWQHPXSBT-UHFFFAOYSA-N 372.384 1.884 0 40 FDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c1 58193413 POWCEKYXMXSOIU-ZDUSSCGKSA-N 368.480 1.943 0 40 FDAB C[C@H](NC(=O)NCC(=O)Nc1ccc(F)cc1)c1nnc2ccccn12 58208551 BSDYBUOIGLSIJC-NSHDSACASA-N 356.361 1.867 0 40 FDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1cccs1 20559083 QRRUHXUCVWTWIR-OAHLLOKOSA-N 364.471 1.167 0 40 FDAB CCn1c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc2ccccc21 95441893 WNPHHSKFKMRQJE-OAHLLOKOSA-N 353.426 1.469 0 40 FDAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc2n[nH]c(=O)n2c1 89788159 PRAILLYPIRFNRT-LBPRGKRZSA-N 371.828 1.932 0 40 FDAB CSc1ccc([C@@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 20030475 BLOBYMRJIJVDLF-MRVPVSSYSA-N 355.441 1.133 0 40 FDAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC(=O)NC1=O 89753974 RTAXGHPNDCUDKI-KWQFWETISA-N 355.188 1.138 0 40 FDAB C[C@H]1CCCN(C(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)C1 11544266 RUVDEUHEAXPGLP-LBPRGKRZSA-N 374.470 1.813 0 40 FDAB C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nnc2n1CCCCC2 29254227 WUCOWAJBOPKMOS-LBPRGKRZSA-N 362.455 1.899 0 40 FDAB COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OCC(N)=O 48287012 XVMKCTMAZVQQON-AOOOYVTPSA-N 356.806 1.462 0 40 FDAB CC[C@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CCO1 12947152 JGEGGJAOOVSCNA-HNNXBMFYSA-N 357.410 1.573 0 40 FDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)c(OC)c1 9303885 AIUJOXRMSJDLGH-VXGBXAGGSA-N 356.469 1.799 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCc1ccccc1 4248600 FUZFHVHNMLAQLM-UHFFFAOYSA-N 351.410 1.628 0 40 FDAB CN(CC(=O)NCCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 39985790 ZMIXQUJISYLLJD-HNNXBMFYSA-N 356.513 1.155 0 40 FDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccsc1 14137310 ZUDMVCYOYCTEGC-UHFFFAOYSA-N 368.436 1.727 0 40 FDAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1O 14201783 WOXRMRSPLNVXJO-MRVPVSSYSA-N 373.203 1.934 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2COc3ccccc3O2)c1 5510572 IEYSFRCOHSOGRL-KRWDZBQOSA-N 356.378 1.932 0 40 FDAB COc1cc([C@@H]2NS(=O)(=O)N=C3CCCCCN32)cc(OC)c1OC 6848343 BCPCOYYCLQEGLM-MRXNPFEDSA-N 369.443 1.834 0 40 FDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCc2cnn(C)c2C)CC1 95996918 HHTNVKRRTKSKKK-UHFFFAOYSA-N 366.491 1.011 0 40 FDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)cc(=O)oc1C 8705767 DRZCBAVJLAAQJX-UHFFFAOYSA-N 359.334 1.839 0 40 FDAB COc1ccc([C@@H]2C[C@H](Cn3cc(C(C)=O)c(=O)[nH]c3=O)ON2C)cc1 8873033 PBYNLWQOCIVKCE-ZBFHGGJFSA-N 359.382 1.125 0 40 FDAB CC(C)[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)N1CCN(C)CC1 72286022 JCBBMFPSYJKOFU-CABCVRRESA-N 350.463 1.528 0 40 FDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](COc3ccccn3)CCN2C)C1 306131541 KIERFKXSSYBHCE-HNNXBMFYSA-N 353.488 1.595 0 40 FDAB Cc1nnc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)s1 72325927 WUKYJSBJDBJRMG-ZDUSSCGKSA-N 371.422 1.436 0 40 FDAB biogenic CCN1CCO[C@@H](C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)C1 76060832 SFZDRTJVEJAGMY-IEBWSBKVSA-N 360.502 1.034 0 40 FDAB CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 95461309 LXMUSHBWFXACEZ-UHFFFAOYSA-N 365.455 1.324 0 40 FDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(F)cc1 408998239 ASLACIYJXWZOIE-KBPBESRZSA-N 367.373 1.922 0 40 FDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Oc2ccccc21 72326101 GRKFHZJGCIIBPR-LJQANCHMSA-N 357.410 1.140 0 40 FDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225151140 JMBDEADZIVDXGL-PWSUYJOCSA-N 362.398 1.415 0 40 FDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 225492812 BNIVYESEYDNXOX-CYBMUJFWSA-N 357.366 1.898 0 40 FDAB COc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c1 222671312 DTWPHQIGXHCIID-UHFFFAOYSA-N 359.382 1.219 0 40 FDAB CCOC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1 96207344 URGGQUQQZZVNPZ-OAHLLOKOSA-N 357.410 1.849 0 40 FDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)C1CCOCC1)C2 96050238 PZNWXRWVKRAOAW-HXUWFJFHSA-N 357.454 1.363 0 40 FDAB Cc1cncc(C(=O)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 96063407 HUELYKUMOCYQTC-PKOBYXMFSA-N 356.426 1.677 0 40 FDAB O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCN(c2ccncc2Cl)CC1 585140026 ZMDGMSGQXCVRIA-GFCCVEGCSA-N 361.833 1.924 0 40 FDAB Cc1nnc([C@]23COC[C@H]2CN(C(=O)c2ccc4ccccc4n2)C3)o1 96208964 BHCIZXURTNCLEF-AUUYWEPGSA-N 350.378 1.966 0 40 FDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1cccn1C)C2 96237679 VESIHVIMFOUEFA-SFHVURJKSA-N 358.467 1.650 0 40 FDAB O=C(NCCO)C1CCN(C(=O)c2ccc(Br)cc2)CC1 96953222 XXTIGOZHEOOPGX-UHFFFAOYSA-N 355.232 1.410 0 40 FDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257259172 KXEUTRDXSNMUOF-KRWDZBQOSA-N 356.430 1.143 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1C(C)C 257274217 NJZYHSKPHRGRLV-MRXNPFEDSA-N 357.458 1.163 0 40 FDAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257304982 SNYJJECNDRTSEY-ZDUSSCGKSA-N 351.410 1.985 0 40 FDAB CN1CCN(C(=O)c2ccc(Cn3cccn3)o2)CCC12CCOCC2 1615589958 WZGFGNDNZWSSLI-UHFFFAOYSA-N 358.442 1.851 0 40 FDAB COCC(=O)N[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H]1c1nccn1C 1615548686 ONBPAJGJKNDWOZ-HZPDHXFCSA-N 362.474 1.448 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3ccc(-c4ncco4)cc3F)C[C@H]2O)cn1 625626689 JLLWYXAEGKZJHW-IAGOWNOFSA-N 358.373 1.838 0 40 FDAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)N2CCc3c(F)cccc32)cn1 630670499 WYHKGBMVYULJLV-HOTGVXAUSA-N 358.373 1.571 0 40 FDAB Cc1ncn(-c2ccc(NC(=O)Cn3nc4n(c3=O)CCCC4)cc2)c1C 650045097 NXWAWTSAZOXLDG-UHFFFAOYSA-N 366.425 1.822 0 40 FDAB COc1nccnc1-c1cnn(CC(=O)Nc2nn(C)c3ccccc23)c1 55252433 AJIXZFFSZXDUNJ-UHFFFAOYSA-N 363.381 1.874 0 40 FDAB Cc1nccc(N2CCN(C[C@@H]3CCCO[C@H]3c3nccn3C)CC2)n1 667986822 NUOMUEWAPLIBHG-FUHWJXTLSA-N 356.474 1.808 0 40 FDAB Cc1cccc(N2CCC(O)(CN3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)CC2)c1 585285417 YKEVTFOPGHIJID-YSIASYRMSA-N 359.514 1.466 0 40 FDAB Cc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 585290435 BCFUGFHLYOTJFI-IRLDBZIGSA-N 368.477 1.652 0 40 FDAB CC(=O)N1CCC(O)(CN2CCCC[C@@H]3N(C(C)=O)CCC[C@@]32C)CC1 585283311 NDPNTFUQXXINRY-OALUTQOASA-N 365.518 1.615 0 40 FDAB O=C(c1cnc(C2CCNCC2)[nH]1)N1CCO[C@@H](Cc2ccccc2)C1 685941906 JFSCDGKRBQARAB-KRWDZBQOSA-N 354.454 1.960 0 40 FDAB CS(=O)(=O)Nc1ccc(-c2csc(CN3CCNCC3)n2)cc1 1515139707 QBYHTVYGWQAJPE-UHFFFAOYSA-N 352.485 1.587 0 40 FDAB Cc1onc(N)c1S(=O)(=O)N1CCC2(CC1)OCCc1ccccc12 577082957 ZPJYRMDPPUNQSN-UHFFFAOYSA-N 363.439 1.818 0 40 FDAB CCC1=C(F)C(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 1560405136 BBTZNFPTVHXHDZ-CYBMUJFWSA-N 359.357 1.853 0 40 FDAB CC(C)(C)NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 15377235 GKTKJYDHAUUOCH-UHFFFAOYSA-N 353.488 1.049 0 40 FDAB CCc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)no1 19523188 YSUYKCMHRSJACY-UHFFFAOYSA-N 364.427 1.410 0 40 FDAB CN1CCc2nc(C3CCN(C(=O)CCn4cccn4)CC3)ncc2C1 19590672 JIBKQCRSHSPJAY-UHFFFAOYSA-N 354.458 1.457 0 40 FDAB COCC(=O)NCC[C@H]1CCCCN1C(=O)c1cnn2cc(C)cnc12 19748954 DLQKFJILGFJEIN-CQSZACIVSA-N 359.430 1.185 0 40 FDAB COCCOC(=O)C1=C(OC)NC(=O)N[C@@H]1/C=C/c1ccccc1OC 2672476 URNCHTIVANWXJL-MMQHEFTJSA-N 362.382 1.437 0 40 FDAB O=C(c1cccs1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583378 XBZUJJTVRRKSIC-UHFFFAOYSA-N 359.455 1.337 0 40 FDAB CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cncc(F)c1 660150352 IWSDOIUEKGZUAD-CQSZACIVSA-N 357.451 1.485 0 40 FDAB COc1ccc(S(=O)(=O)NCCCN(C)C)cc1Br 5156562 OXFAPRMWDHXYCN-UHFFFAOYSA-N 351.266 1.688 0 40 FDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@H](C)C2)c(=O)[nH]c1=O 7340603 RSFWPNUSTGJGQT-ZDUSSCGKSA-N 365.478 1.004 0 40 FDAB Cn1c(=O)c2ccccc2n2c(CSc3nc4ncccn4n3)nnc12 10074628 BHDOUFFIAAMGIY-UHFFFAOYSA-N 364.394 1.311 0 40 FDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5cscn5)C[C@H]4C3)ncnc21 1888900857 WLYXPPSXAHLJEN-GHMZBOCLSA-N 355.427 1.028 0 40 FDAB COc1cnc(OC2CCN(C(=O)c3ncc(F)cc3F)CC2)nc1 1889136288 RZHKQTZLQILMTJ-UHFFFAOYSA-N 350.325 1.842 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2F)CC1 23442977 JSUSOPMAQOBJTA-UHFFFAOYSA-N 369.440 1.829 0 40 FDAB COc1ccc(C(=O)N2CC[C@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056224087 QVWBUFQVIWBMDO-KXBFYZLASA-N 352.394 1.406 0 40 FDAB CN(C)CCOC[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2nnn(C)c21 1565551774 VJPZRTMQCAXALG-HNAYVOBHSA-N 361.490 1.566 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2[C@@H]1c1ccc(F)cc1 4851013 STVYLZPEPFIINM-AWEZNQCLSA-N 374.368 1.156 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccc(OC)cc2)C1 2055772553 USVHXFBVVZTWRD-LJQANCHMSA-N 356.426 1.198 0 40 FDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C2 40091095 MENVCMMLGZPDTL-UKRRQHHQSA-N 354.497 1.552 0 40 FDAB C[C@@H](Sc1nncs1)C(=O)NCc1cccnc1N1CCOCC1 40153802 LYWWJMKHNRFQOU-LLVKDONJSA-N 365.484 1.567 0 40 FDAB Cn1cc(-c2nc(C(=O)NCCC(=O)Nc3ccccn3)cs2)cn1 40154472 YNPCPAPDOKPHDE-UHFFFAOYSA-N 356.411 1.697 0 40 FDAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1O 40267736 USHFUCVMYVPTPI-UHFFFAOYSA-N 358.350 1.442 0 40 FDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1C 51135761 GPRKARDYRUYCHR-ZDUSSCGKSA-N 354.428 1.071 0 40 FDAB O=C1N=C(O)[C@@]2(Cc3cc4ccccc4nc3N3CCOC[C@H]32)C(=O)N1 20591718 RHUSTDJKSMUREU-ZDUSSCGKSA-N 352.350 1.189 0 40 FDAB COCCCNC(=O)c1nc(COc2ccc3c(C)cc(=O)oc3c2)no1 20721334 NAYDSQHVBDOIHL-UHFFFAOYSA-N 373.365 1.830 0 40 FDAB biogenic COCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 32900740 RJGUMCKRQQLEBJ-UHFFFAOYSA-N 373.453 1.650 0 40 FDAB O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1 22800539 FGIGQKCRODDYNE-UHFFFAOYSA-N 366.465 1.830 0 40 FDAB CC(=O)N1C[C@@H](C(=O)NCCc2cn3ccccc3n2)Oc2ccccc21 23319691 MCUSOACREDKYAM-SFHVURJKSA-N 364.405 1.807 0 40 FDAB CCNC(=O)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1 96007899 RXUKZBDGEKHSMX-YWZLYKJASA-N 373.453 1.650 0 40 FDAB C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)C(=O)NCc1ccccc1 55346961 KVIMCWQUHDNALY-CQSZACIVSA-N 367.405 1.806 0 40 FDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1 2662023 VEDZCSFFYSUMGD-UHFFFAOYSA-N 366.395 1.637 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)C2CC2)CC1 25164912 CNPAFOHRZVRJTL-UHFFFAOYSA-N 350.440 1.093 0 40 FDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 25276510 WBQHUEXIHIOOTF-DTWKUNHWSA-N 351.790 1.772 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)OCN1C(=O)c2ccccc2C1=O 7977625 LCJTZLMHWBBSLV-UHFFFAOYSA-N 363.329 1.193 0 40 FDAB CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 8298307 AESUIWORDHIPMF-LZQZEXGQSA-N 368.485 1.689 0 40 FDAB biogenic,in-vitro COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8298433 BLOXJHGFPRHTHA-YUTCNCBUSA-N 362.459 1.230 0 40 FDAB biogenic,in-vitro CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CCN2CCSCC2)cc1 57958432 NZADJBPORQHTSI-AWEZNQCLSA-N 364.515 1.924 0 40 FDAB CC(C)[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N1CCN(C)CC1 72286025 JCBBMFPSYJKOFU-LSDHHAIUSA-N 350.463 1.528 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nccc(N)n2)CC1 84224682 PFPXUVVCYXWBPU-UHFFFAOYSA-N 354.458 1.432 0 40 FDAB O=C1CN(CCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11903758 RSXRSWVXQCFUEL-MOPGFXCFSA-N 370.474 1.744 0 40 FDAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 3215185 PBZFNQKIGGFCMA-UHFFFAOYSA-N 351.472 1.249 0 40 FDAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)n(C)c(=O)n1C 12620379 XXZFCCXDQTWGCK-UHFFFAOYSA-N 365.411 1.078 0 40 FDAB Cc1ccnc2nc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)nn12 12775989 BPHFKCFJBLKCSL-UHFFFAOYSA-N 374.408 1.863 0 40 FDAB O=C(COc1ccc2ccc(=O)oc2c1)N[C@@H](CO)Cc1ccccc1 12896025 MTKOOESLMHTWOX-MRXNPFEDSA-N 353.374 1.892 0 40 FDAB biogenic CCS(=O)(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 10009075 GUTRWMXBNOSBIM-GOSISDBHSA-N 374.462 1.963 0 40 FDAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 3441954 OIXRLGLBVYAZHL-CYBMUJFWSA-N 352.412 1.632 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OCCCO2 12919814 ZRUGBQYLEPDZMK-ZIAGYGMSSA-N 358.394 1.962 0 40 FDAB CC(=O)Nc1nc2ccc(C(=O)NCCCN3CCOCC3)cc2s1 13691444 GCLSVJLZMBDMIQ-UHFFFAOYSA-N 362.455 1.707 0 40 FDAB C[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2C(=O)O1 4384779 DHCXGYRPQMKBHD-KRWDZBQOSA-N 360.391 1.444 0 40 FDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CSC)c(=O)[nH]c1=O 14189876 LFFMUMLJYKYYNE-UHFFFAOYSA-N 356.492 1.661 0 40 FDAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 14136256 UNXQMKFZSNTEOX-KRWDZBQOSA-N 351.353 1.791 0 40 FDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(C=O)cc1 6408796 NUBVYKAHWKBLAM-SFHVURJKSA-N 353.374 1.972 0 40 FDAB CCOC(=O)C1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 5560229 PSJLCWZLTKUESW-MRXNPFEDSA-N 365.426 1.568 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 5517857 ANHITNAOGPPQIS-CQSZACIVSA-N 353.781 1.966 0 40 FDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 7474048 NKBVXLWOXILRFS-MRXNPFEDSA-N 374.418 1.657 0 40 FDAB COC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1C 7705858 ODGVMKUPTKBOII-UHFFFAOYSA-N 359.363 1.473 0 40 FDAB CC1CCC(C(=O)N[C@@H](C(=O)NCCCN2CCOCC2)C(C)C)CC1 19900225 DUKYVKPIHXPZSU-DAWZGUTISA-N 367.534 1.792 0 40 FDAB O=C(CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1)NC1CC1 95397643 PVPVGXSWDQACIC-GOSISDBHSA-N 356.470 1.078 0 40 FDAB Cn1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cn1 25311196 IERIIOHQUMOOJV-UHFFFAOYSA-N 354.457 1.521 0 40 FDAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CC2)c1 408709967 JQGCMULAODCWAG-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)cs1 72374006 IXSLQLWPDOBEQG-CQSZACIVSA-N 360.487 1.785 0 40 FDAB CC[C@H](C)N1C(=O)[C@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35375538 ZRSUSFADMZKWGR-YZQWNDCQSA-N 355.438 1.842 0 40 FDAB COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]nnc12 33940853 ZYRINAZRTBCAEE-ZDUSSCGKSA-N 358.398 1.375 0 40 FDAB in-man COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 35648661 DHYZADFQRGGDGA-OTXQMUPVSA-N 367.404 1.120 0 40 FDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2c(C)noc2C)on1 72342890 RKNCLXJDBWZLLR-UHFFFAOYSA-N 354.370 1.648 0 40 FDAB O=C(c1cccnc1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 85436068 RVBIUOUWVQQCJO-QGZVFWFLSA-N 354.385 1.983 0 40 FDAB biogenic,in-vitro COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn(C)n3)cc2)cc1 44891532 BNUOUMPGBIEJDT-UHFFFAOYSA-N 366.381 1.141 0 40 FDAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1ccccc1 96240070 SFDLQAXIRNCDOA-FQEVSTJZSA-N 353.422 1.716 0 40 FDAB Fc1cnc(N2CCN(c3nc(C(F)(F)F)nc4[nH]cnc34)CC2)nc1 583419453 CPUORIDCSFJUMJ-UHFFFAOYSA-N 368.298 1.627 0 40 FDAB O=C(N[C@H]1COC2(CCN(C(=O)c3cccnc3)CC2)C1)c1ccccn1 96221113 PXGPAFRCTOHJFJ-MRXNPFEDSA-N 366.421 1.670 0 40 FDAB CCNCc1nc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)n2ccccc12 96062754 ZRCABUYMFNMPRD-AWEZNQCLSA-N 368.441 1.538 0 40 FDAB Cc1ccc(CN2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)s1 96230525 YJEQRRAVPBNKHQ-GOSISDBHSA-N 359.499 1.713 0 40 FDAB CCN1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@H](C)C1 585082384 LIELPMKZAHPVTB-CQSZACIVSA-N 365.499 1.541 0 40 FDAB Cn1cc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C2CC2)n1 585085493 FMBMJOVIGFNVEM-UHFFFAOYSA-N 353.426 1.727 0 40 FDAB O=S1(=O)CC[C@@H](COCc2cccnc2)C12CN(Cc1ccncc1)C2 247351390 VZHOAEZRCZRAAA-SFHVURJKSA-N 373.478 1.683 0 40 FDAB COC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257308387 TWNMWHYYDCEQAW-CVEARBPZSA-N 360.454 1.642 0 40 FDAB CC(C)c1cc(C(=O)N2CC[C@](O)(CN3CCN(C)CC3)C2)cs1 257257669 KQQIZGVNNGBFPF-SFHVURJKSA-N 351.516 1.696 0 40 FDAB CC1CC(C(=O)N2CCC[C@@H](N(C)C(=O)CCCS(C)(=O)=O)C2)C1 1615610684 FJCOPDJEPZFTKK-YMAMQOFZSA-N 358.504 1.307 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(C(F)(F)F)c(O)n1 616432081 NGZDWBMKUJSLPV-AWEZNQCLSA-N 361.320 1.173 0 40 FDAB CC(C)OCc1nc([C@H](C)NC(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)no1 626764489 RCPUTSXRCAQHCZ-SRVKXCTJSA-N 354.407 1.808 0 40 FDAB O=C(O)[C@@H]1CN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 666549153 YQKARMKOWAZNLG-LBPRGKRZSA-N 363.197 1.867 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CCCC1)CO2 575402852 DHAGQTIZMXIPKW-OAHLLOKOSA-N 361.442 1.172 0 40 FDAB COCCNC(=O)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 575404372 NFTQLFRQDNZUSZ-QGZVFWFLSA-N 367.409 1.324 0 40 FDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@H]2O1 585109068 RUPQINMZAQKWTQ-ARFHVFGLSA-N 361.417 1.596 0 40 FDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2COc2ncccn2)no1 585094593 DGZVCQVDWZNHLM-GFCCVEGCSA-N 354.370 1.153 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)CC1 44225755 VQVJBCTVSHEPMV-LBPRGKRZSA-N 373.413 1.090 0 40 FDAB Cc1c(C(=O)N2CCC3(CC2)C[C@@](O)(c2nccs2)CO3)cnn1C 12119056 IOGDSAMRANUIFC-KRWDZBQOSA-N 362.455 1.468 0 40 FDAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1 15884320 ZUIHBENLHRIZKW-UHFFFAOYSA-N 354.410 1.817 0 40 FDAB CCCC(=O)N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 19228703 SZEUAESLXOLMRD-VXNVDRBHSA-N 351.683 1.376 0 40 FDAB Cc1cccc2c(C[C@H](C)NC(=O)CCCN3C(=O)CNC3=O)c[nH]c12 19236603 ROLQEWPSZWCGBE-ZDUSSCGKSA-N 356.426 1.856 0 40 FDAB CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3)CC1)C2=O 19700066 AQUFWLWUGQZXTO-UHFFFAOYSA-N 370.453 1.307 0 40 FDAB CC(=O)N1CCC[C@H]1c1nnc2n1CCN(CCOc1ccc(F)cc1)C2 19707878 IEWXGXRZTHFNHG-KRWDZBQOSA-N 373.432 1.995 0 40 FDAB COc1cc(N2CCN(Cc3noc(C4CCOCC4)n3)CC2=O)ccn1 1888869767 MCHAKVXGZPURBF-UHFFFAOYSA-N 373.413 1.216 0 40 FDAB CC(C)n1cnc(S(=O)(=O)NCc2cc(-c3cccnc3)nn2C)c1 240002234 PPSKKTDOQVRZNU-UHFFFAOYSA-N 360.443 1.738 0 40 FDAB Cc1cc(=NC(=O)CN2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)[nH]o1 2037916227 WGCKORXUEWEPHH-HXUWFJFHSA-N 373.453 1.866 0 40 FDAB O=C(Cn1ccccc1=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565554653 WXEIJRGGQNNQJN-HZPDHXFCSA-N 365.437 1.037 0 40 FDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565552169 PRKHLARUIJTEQI-SUFIHLRJSA-N 355.438 1.171 0 40 FDAB O=C(CS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 4303353 PICUFMHFGJLFJR-UHFFFAOYSA-N 362.426 1.948 0 40 FDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)o1 2055841054 XHIFADBZHAPSID-AWEZNQCLSA-N 350.415 1.457 0 40 FDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccccc4)C3)n2)n1 1775965571 DJGMXDVARGTSBN-UHFFFAOYSA-N 363.421 1.818 0 40 FDAB COc1ccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1Cl 206941373 VYGBQOYZXGNALY-UHFFFAOYSA-N 356.835 1.966 0 40 FDAB O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1ccc2c(c1)CCO2 575618378 HHMLUKPVNYERNT-UHFFFAOYSA-N 362.436 1.742 0 40 FDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)Cc1ccsc1 618255505 RKPCVWHEEQAFCV-QGZVFWFLSA-N 362.407 1.525 0 40 FDAB CCOc1ccc(CC(=O)N2CCC(Cc3cc(C(N)=O)[nH]n3)CC2)cc1 225565306 RFSDXAUDNONSRT-UHFFFAOYSA-N 370.453 1.931 0 40 FDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)CC1 40091908 VMRJYHJRZKXQSG-CQSZACIVSA-N 353.463 1.618 0 40 FDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21 40122579 ZMFCBNSVAFYVLL-GOEBONIOSA-N 357.454 1.634 0 40 FDAB CCN([C@H](C)COC)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 40152901 ZNOGKDHTGXLTLL-SECBINFHSA-N 362.835 1.716 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cn3cncn3)c2)cc1 40150075 XSMFDZASYXDKKI-UHFFFAOYSA-N 372.410 1.618 0 40 FDAB COc1ccc2cc(CNC(=O)NCCNS(C)(=O)=O)ccc2c1 31034379 DXXWQBZWFFSCSK-UHFFFAOYSA-N 351.428 1.197 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C)CC3)c(Cl)cc12 20591774 LSBVSQUHYXIIPM-UHFFFAOYSA-N 350.802 1.908 0 40 FDAB CCc1c(C(=O)NCCc2ccccn2)cnn1-c1ccc(OC)nn1 32657817 SDHZBMQUOJRTRA-UHFFFAOYSA-N 352.398 1.601 0 40 FDAB CNc1ccccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 21325807 FKYNIUAWDFWXTO-UHFFFAOYSA-N 350.396 1.612 0 40 FDAB C[C@]1(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)NC(=O)NC1=O 32818921 DRUUNNCVGAZZIH-MRXNPFEDSA-N 363.370 1.681 0 40 FDAB O=C(COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)NCc1ccco1 21966298 GXDIEIOJRRNJHV-MRXNPFEDSA-N 370.405 1.530 0 40 FDAB CN(Cc1ccc(F)cc1F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 22901135 XWKAKLZNWYOSAC-UHFFFAOYSA-N 374.347 1.183 0 40 FDAB COC(=O)c1cc2c(-c3ccccc3)nn(C)c2n2nnc(C(=O)OC)c12 1417958 KJYOIJCJSIOJBF-UHFFFAOYSA-N 365.349 1.856 0 40 FDAB CN(C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 2654642 ISINMPUIFTXWJP-KRWDZBQOSA-N 351.406 1.702 0 40 FDAB CC(C)N(C(=O)NC(=O)OC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 3176038 RLKUPITYPOMFIF-NSHDSACASA-N 372.399 1.343 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F 3901557 SHKYBLIFFGZZFI-GIPNMCIBSA-N 364.345 1.341 0 40 FDAB COC(=O)C1(NC(=O)c2cccc(CS(C)(=O)=O)c2)CCCCC1 25174328 DNSFKZREFZFSIC-UHFFFAOYSA-N 353.440 1.837 0 40 FDAB Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C 4162150 SGZIEQKXQLQBTM-UHFFFAOYSA-N 372.450 1.563 0 40 FDAB COCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 4476481 UZTXKVDUHYWFAX-ZDUSSCGKSA-N 374.890 1.893 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)cs1 6681146 IGCGQQICWUMCLB-UHFFFAOYSA-N 354.453 1.949 0 40 FDAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)C1CCN(c2cnccn2)CC1 95989448 HWAHGRVANDQHFF-GOSISDBHSA-N 366.421 1.904 0 40 FDAB CCC(CC)NC(=O)[C@H]1CN(CC(=O)NC(=O)NC)c2ccccc2O1 58201098 DJQIGISXIUMTPH-OAHLLOKOSA-N 362.430 1.014 0 40 FDAB NC(=O)NC[C@H]1CCCCN1C(=O)CCCn1c(=O)oc2ccccc21 58379796 RCVWNIZTMHQRTR-CYBMUJFWSA-N 360.414 1.424 0 40 FDAB Cn1nccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)CSc1ccccn1 100210396 BLPKCZVTYXMJJU-ZIAGYGMSSA-N 358.467 1.948 0 40 FDAB COc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cc1OC 54273022 LXBWJVGPEOBJDO-UHFFFAOYSA-N 356.444 1.894 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3sccc23)cc1 3292873 FXPOSRVGYBARJS-UHFFFAOYSA-N 364.408 1.356 0 40 FDAB COc1ccc(C(N)=O)c(OCC(=O)N(C)Cc2ccccc2OC)c1 48275818 HCCJKPBFCWQBIY-UHFFFAOYSA-N 358.394 1.840 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)c(C)c1 12783659 SLASZKHESZHNQE-UHFFFAOYSA-N 351.472 1.790 0 40 FDAB Cc1nn(C)c2ncc(NC(=O)N3CCN(c4ncccn4)CC3)cc12 62580018 FGOKCVYJWMWJCE-UHFFFAOYSA-N 352.402 1.421 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC(=O)NC1CCCC1 3516740 PJTVWEDDGZBVMT-IBGZPJMESA-N 370.409 1.148 0 40 FDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306143405 YBNNLUUJBNTOQX-LSDHHAIUSA-N 358.467 1.496 0 40 FDAB C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccc(F)cc1F 12959113 GOKOYAZXJAHLIO-VIFPVBQESA-N 354.309 1.374 0 40 FDAB CN(C)C(=O)CN(C)c1cnn(-c2ccc(C(=O)O)cc2)c(=O)c1Cl 13037347 GKSHOPQKSXLYNE-UHFFFAOYSA-N 364.789 1.109 0 40 FDAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9476747 LBJOLGGROMUJIK-NSHDSACASA-N 368.484 1.617 0 40 FDAB COc1cccc([C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)N(C)C)c1 14072535 GUDSXELLCWHLIH-KRWDZBQOSA-N 366.421 1.964 0 40 FDAB CCCCn1nnnc1Cn1nnc(-c2ccc(Br)cc2)n1 6847628 NPKGKHOOTATQRT-UHFFFAOYSA-N 363.223 1.938 0 40 FDAB CC(=O)Nc1nc(CSc2nnc(SCC(N)=O)s2)cs1 9502609 DNXOWBXMXQBTLT-UHFFFAOYSA-N 361.499 1.823 0 40 FDAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)o1 7278435 MAKMMDYYTYHATN-FQEVSTJZSA-N 367.405 1.940 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 8191630 SCQLOAMMWXTWBS-HNNXBMFYSA-N 364.467 1.884 0 40 FDAB CNC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 95961057 PYRFUHFEZSMDDU-UHFFFAOYSA-N 361.379 1.590 0 40 FDAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 8216328 OQLFOPKQIKWIAO-QWRGUYRKSA-N 358.427 1.942 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)c(C)c1 8378968 ZLSAWLPKYDUYHZ-UHFFFAOYSA-N 359.451 1.845 0 40 FDAB CC(C)COc1cccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 17113301 UTHWDNCQFYMEHU-UHFFFAOYSA-N 369.425 1.620 0 40 FDAB CC(C)c1nnc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1 83956170 YWPIGNHPYBVYJU-UHFFFAOYSA-N 354.413 1.907 0 40 FDAB CCN(CC)CCCNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1 9060450 JMPYHYXFPIZYBG-UHFFFAOYSA-N 359.478 1.417 0 40 FDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN([C@@H](CC)CO)CC1 84758743 VBXGWRAPIAWXBT-HNNXBMFYSA-N 368.499 1.399 0 40 FDAB Cc1nc(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)c(C)o1 89548043 IMWRJPWCJCNQHN-UHFFFAOYSA-N 358.441 1.216 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)C(=O)O)cc1Cl 548583624 DZAFGSIHMZJENY-UHFFFAOYSA-N 363.819 1.858 0 40 FDAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCCn2ccnc2)cc1 408589827 FSRONJSSIDFSJW-UHFFFAOYSA-N 364.471 1.320 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(O)c1 32094936 CESKTDLPONDNOW-ZDUSSCGKSA-N 353.378 1.500 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 72391652 DLLNMZUAUZIAPV-AWEZNQCLSA-N 372.473 1.715 0 40 FDAB CN1C(=O)/C(=C2/SC(=O)N(CN3CCOCC3)C2=O)c2ccccc21 31772119 DUPMQOJKVXEHGK-BUHFOSPRSA-N 359.407 1.359 0 40 FDAB COc1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c(OC)c1 31811109 GDGMOOCPPKKYQW-GFCCVEGCSA-N 355.354 1.349 0 40 FDAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(=O)CN(C)C)C2)n1 72360074 ZBKJOPDHXSRNCA-AWEZNQCLSA-N 355.446 1.586 0 40 FDAB CC(=O)NC[C@H]1CN(Cc2ccc(C(=O)O)cc2Br)CCO1 563276672 BBHNRYOEQONIMT-ZDUSSCGKSA-N 371.231 1.484 0 40 FDAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1O 224618919 HNMQZRAJTYPQNI-HUUCEWRRSA-N 374.890 1.722 0 40 FDAB O=C(NCCc1nc(=O)o[nH]1)c1nc2ccccc2cc1Br 577425591 PLQYZVDQGWXABM-UHFFFAOYSA-N 363.171 1.646 0 40 FDAB Cc1cnc(C(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)cn1 96264805 DHBUNYLKKQMZMP-UHFFFAOYSA-N 371.466 1.719 0 40 FDAB CN(C)c1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccco1)CC2 96254597 IHTIWCBMFGVKNA-UHFFFAOYSA-N 355.442 1.977 0 40 FDAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](n4cc(C(=O)O)nn4)C3)ccc2O1 581261380 KIXCTZGKOBQOHM-BXUZGUMPSA-N 356.382 1.777 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109011 LQKRIJWSZJXOTK-BEFAXECRSA-N 357.410 1.992 0 40 FDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccccc3)C2)C1 604381631 IBKFDICTHKFYMM-QGZVFWFLSA-N 357.454 1.080 0 40 FDAB biogenic,in-vitro NC(=O)C[C@H]1CN(C(=O)CCCc2cn[nH]c2)CC[C@@H]1Oc1ccccc1 257273791 NIEQJGXMXKEIPA-WMZOPIPTSA-N 370.453 1.904 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1Cl 257309818 UCMVMIOISFAACU-CJNGLKHVSA-N 354.834 1.327 0 40 FDAB O=C(O)c1ccccc1N/C=c1\sc2nc(-c3ccncc3)nn2c1=O 256027843 FXKDHUKCURUYEW-LCYFTJDESA-N 365.374 1.480 0 40 FDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cc(C)cn2)C1 257282923 OVWVPZDDNCRWSC-LJQANCHMSA-N 357.458 1.072 0 40 FDAB CN1C[C@@]2(CN(Cc3cnn(C)c3)CC[C@@H]2O)N(c2ccccc2)C1=O 257199938 ABIOJCPYWAQZPA-HKUYNNGSSA-N 355.442 1.298 0 40 FDAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCOCC2)n1 604382622 VFCVFHYXBRUPNR-BRSBDYLESA-N 363.502 1.443 0 40 FDAB biogenic,in-vitro CNC(=O)[C@@H]1CN(CCOc2cccc(C(F)(F)F)c2)CCN1C(C)=O 257322406 WFVQMYRSFOHRIZ-HNNXBMFYSA-N 373.375 1.363 0 40 FDAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 374288513 PXLWGOOJODXKRT-GOEBONIOSA-N 372.425 1.568 0 40 FDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 647928450 MFGMUNLYZBXPBS-MRXNPFEDSA-N 372.406 1.242 0 40 FDAB O=C(NC[C@@H](O)CO)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cn1 649442872 ACZHRUBJKAUSCN-LLVKDONJSA-N 352.293 1.153 0 40 FDAB Cc1cc(OC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nc(C)n1 390826146 CVAGCBHJESREGM-UHFFFAOYSA-N 368.437 1.893 0 40 FDAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3cccc(C)c3)CC2)CCO1 585283175 CGDYOOLEWPZUOO-LJQANCHMSA-N 361.486 1.163 0 40 FDAB CS(=O)(=O)N1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585289757 NHCRUKHNQDQOIA-GVDBMIGSSA-N 372.462 1.064 0 40 FDAB Cc1nc(CNC(=O)c2cnc(C3CCN(C)CC3)[nH]2)ccc1[C@@H](C)O 685942976 ZFTHTWINHKCVQF-CYBMUJFWSA-N 357.458 1.906 0 40 FDAB O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)N1CCC2(CC1)OCCO2 52532762 YCDWFAMBWVGOJY-KRWDZBQOSA-N 364.417 1.565 0 40 FDAB CCCCn1cc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c(C)n1 631874371 DZTJRPNBNUHDKJ-UHFFFAOYSA-N 364.475 1.293 0 40 FDAB Cc1ncnc(N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)c1C 585614519 HMEMRICBWAHMJX-GASCZTMLSA-N 350.430 1.412 0 40 FDAB CCOc1c(Cl)cc(C(=O)OCC(=O)N2CCNC2=O)cc1OC 5367505 CUHMMIUHEZAVMG-UHFFFAOYSA-N 356.762 1.456 0 40 FDAB COc1ccc(OCC(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1 15733950 BYYLQXCSEBXQGT-UHFFFAOYSA-N 361.379 1.590 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16026436 OMZZBCASOGVMNY-UONOGXRCSA-N 361.442 1.709 0 40 FDAB O=C(C[C@@H]1SC2=NCCN2C1=O)NCc1cccc(N2CCCCC2)c1 19661155 LVYPTYJATKQEJT-INIZCTEOSA-N 372.494 1.997 0 40 FDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1F)CC2 19706332 OSFILXQVNNRZPS-OAHLLOKOSA-N 373.432 1.648 0 40 FDAB Cc1nc2ccc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc2[nH]1 19748635 RMFUIWCRFALXNS-UHFFFAOYSA-N 350.444 1.872 0 40 FDAB CC(=O)N1CCc2sc(S(=O)(=O)NCc3nccc(C)n3)cc2C1 622040188 JHYXKHKDNPRGGZ-UHFFFAOYSA-N 366.468 1.230 0 40 FDAB O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc2nsnc12 36398026 LFRQPOUIZJQTJI-LLVKDONJSA-N 365.440 1.868 0 40 FDAB Cc1nc(N2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc(O)c1F 1888846834 YMBYHGWHFGYTMZ-UHFFFAOYSA-N 370.335 1.263 0 40 FDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N(C)C)nc2)cc1 22419358 KLAZXKSZFWOSLL-UHFFFAOYSA-N 362.455 1.627 0 40 FDAB Cc1ccc(N2N=C(C(=O)NCc3ccnc(N(C)C)c3)NCC2=O)cc1 25859570 MPIUDSMAHZVSBQ-UHFFFAOYSA-N 366.425 1.022 0 40 FDAB CN(C)CCCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037841187 ZLPJZIDZEOYEQA-IBGZPJMESA-N 363.433 1.502 0 40 FDAB O=C(CC1(O)CCC1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 2056214957 OPEQADOQBKPJMC-HNNXBMFYSA-N 360.458 1.734 0 40 FDAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565546234 XEUFTZFGJSNLQR-UHFFFAOYSA-N 350.369 1.867 0 40 FDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1 4035454 IODUGAXAMVELEL-UHFFFAOYSA-N 367.340 1.631 0 40 FDAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1 4326566 OTGGICFGHMXNNN-UHFFFAOYSA-N 361.452 1.804 0 40 FDAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2C(N)=O)C1 9001829 MAXLZICLUJFVQK-UHFFFAOYSA-N 361.427 1.046 0 40 FDAB O=c1cccnn1CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 23137491 JHDHQPHOMFHVNY-UHFFFAOYSA-N 361.345 1.631 0 40 FDAB CCn1cc(N2CCC[C@@H](NC(=O)NC(C)(C)C)C2)c(=O)n(CC)c1=O 2298189218 JLXPLGHLHBCHBE-CYBMUJFWSA-N 365.478 1.116 0 40 FDAB Cn1ncc2c(N3CCC(Oc4ccn5nccc5n4)CC3)ncnc21 2298230533 ILPYEPRIFDLFIZ-UHFFFAOYSA-N 350.386 1.454 0 40 FDAB NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O 13526937 JOIUZBTWMAYEQW-UHFFFAOYSA-N 357.495 1.943 0 40 FDAB in-vitro Cc1cnc2c(S(=O)(=O)N(C)[C@H]3CCS(=O)(=O)C3)cccc2c1 40049830 LAYVWPKYFFGYAE-ZDUSSCGKSA-N 354.453 1.351 0 40 FDAB C[C@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@@H](C)O1 40087461 YQLIPABMYJEJPL-OKILXGFUSA-N 355.442 1.598 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)[C@@H](CO)NC(=O)c1ccccc1 40156483 PQNVDIUNYNNZDT-MRXNPFEDSA-N 356.378 1.268 0 40 FDAB Nc1nc(Cl)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 32779122 WKVPSOARAMZTSP-UHFFFAOYSA-N 359.864 1.285 0 40 FDAB NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 32795509 JYWJIJUHJUVKGT-INIZCTEOSA-N 355.438 1.252 0 40 FDAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1 32816245 RUOQJTXIJAONCT-UHFFFAOYSA-N 364.423 1.967 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 52702261 YRPAFRASWICUKH-KGLIPLIRSA-N 352.479 1.191 0 40 FDAB CN(CC(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ncccn1 23173503 CRAAGGRGEMCYFX-QGZVFWFLSA-N 370.409 1.056 0 40 FDAB COc1ccc(CCNC(=O)c2cc(-n3cnnn3)ccc2F)cc1OC 79477917 WBPFEWYVOABVCA-UHFFFAOYSA-N 371.372 1.791 0 40 FDAB NC(=O)c1ncn2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc12 1414392 OUVXFOKPSJAWOG-UHFFFAOYSA-N 365.275 1.077 0 40 FDAB Cc1sc(=O)n(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1C 56019279 LORGSJMHKRMUDS-HNNXBMFYSA-N 359.451 1.616 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCCc1ccc(F)cc1 35355262 IBPVCJZTTIAMTA-GOSISDBHSA-N 355.413 1.397 0 40 FDAB COc1ccccc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1 57403249 OVMTYDCDDUHHKX-UHFFFAOYSA-N 368.437 1.555 0 40 FDAB O=C(CN1CSCC1=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58209806 XMODNFJZXUUBIG-LLVKDONJSA-N 355.410 1.440 0 40 FDAB CCOC(Cn1cc(C(=O)NCc2cn3ccc(C)cc3n2)nn1)OCC 58300031 BXUVAECGTJNOGO-UHFFFAOYSA-N 372.429 1.563 0 40 FDAB CN(C)C(=O)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1 45910252 IRVBODQAQQPYJD-UHFFFAOYSA-N 359.474 1.119 0 40 FDAB COCCNC(=O)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 11998576 JVYSCJGRHORZOB-AWEZNQCLSA-N 363.439 1.286 0 40 FDAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cn1cccn1 58218926 WPFLMMGMXZHQFO-UHFFFAOYSA-N 363.317 1.824 0 40 FDAB NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 2634591 MUFVLBOGWOIANO-UHFFFAOYSA-N 356.773 1.731 0 40 FDAB C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO 21986131 GBDXNHBVYAMODG-BIJIKCTCSA-N 372.461 1.964 0 40 FDAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NCc1ccco1 12296558 KGSRZTCMIKWQGQ-LSDHHAIUSA-N 369.421 1.484 0 40 FDAB biogenic CS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(Cl)c2)CC1 47126505 SXWSESKEKDPYEQ-UHFFFAOYSA-N 361.851 1.006 0 40 FDAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12794206 ORFPNFHYAUQVLF-UHFFFAOYSA-N 371.349 1.669 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NCC(F)(F)F 48368457 YKUSMODVZMZHNY-VWYCJHECSA-N 365.352 1.181 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1 3425212 QFXDGJSHLIBAGC-UHFFFAOYSA-N 366.370 1.198 0 40 FDAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NC1CC1 3537434 DCLLYRGEMYBNDR-OAQYLSRUSA-N 363.417 1.955 0 40 FDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)NCC(F)(F)F 12924132 XHNKPHFKZMRKEK-JTQLQIEISA-N 352.378 1.761 0 40 FDAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(Cn2cncn2)cc1 14148562 FDAZSFWRFAAOBN-UHFFFAOYSA-N 361.361 1.691 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@H](ON2C(=O)c2ccccc2)[C@H]2[C@@H](C)C(=O)N21 4649453 IGNFLHPTHATALL-MIGQKNRLSA-N 371.393 1.949 0 40 FDAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@@H]1CCS(=O)(=O)C1 5677227 HLLMRCBRWJXVSH-SECBINFHSA-N 370.431 1.006 0 40 FDAB CCc1ccc(-c2nnn(CC(=O)NC(=O)NCc3ccco3)n2)cc1 7041126 GGJWHDXRQZLBKD-UHFFFAOYSA-N 354.370 1.522 0 40 FDAB C[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCNC1=O 7316936 UKRLEPJLNWZGGC-VIFPVBQESA-N 364.383 1.214 0 40 FDAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)NCc1ccc2c(c1)OCO2 7376670 SCERALJFJYJURS-JTQLQIEISA-N 360.341 1.998 0 40 FDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046928 DGWABIVWJQNIOC-WBMJQRKESA-N 356.426 1.792 0 40 FDAB Nc1cc(=O)[nH]c(SCc2nnnn2-c2ccc(Cl)c(Cl)c2)n1 16669647 LGEGFQZBDZSTHV-UHFFFAOYSA-N 370.225 1.927 0 40 FDAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1 8119022 DTLGSGQSPIWGOX-MRXNPFEDSA-N 365.499 1.394 0 40 FDAB Cc1cc(C)n2nc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)nc2n1 8282988 NXVQSLFYVNXXGB-UHFFFAOYSA-N 366.333 1.910 0 40 FDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 8328624 LUWRWLVAXYHUSM-UHFFFAOYSA-N 362.798 1.849 0 40 FDAB CCOC(=O)C1=C(COC(=O)CCSc2ccccc2)NC(=O)NC1 18271576 JOTDRUXHRFXJGA-UHFFFAOYSA-N 364.423 1.842 0 40 FDAB CC1CCN(c2nnc(S[C@H](C)C(=O)NC(N)=O)n2C2CC2)CC1 8726471 UVGORPKCLSCUDC-SNVBAGLBSA-N 352.464 1.525 0 40 FDAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)C(C)C)CC3)nc12 28556996 GUCPVTBEUPYEEV-UHFFFAOYSA-N 360.462 1.324 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCc2occc21 83995760 JTEUFRWNEOGRCU-FZMZJTMJSA-N 373.434 1.900 0 40 FDAB COC(=O)CC1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 71282485 UNGGYUNINUXFDH-UHFFFAOYSA-N 369.421 1.712 0 40 FDAB Cn1cc([C@H]2CN(C(=O)c3cccc(NC(=O)C4CC4)c3)CCO2)cn1 75107454 MKOSDKKUGVRWPL-QGZVFWFLSA-N 354.410 1.982 0 40 FDAB O=C(CN1CCN(c2ccccc2F)CC1)NCc1ccc2c(c1)OCO2 89814101 QNJUGMIFWYKVFR-UHFFFAOYSA-N 371.412 1.993 0 40 FDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCOCC2)no1 22766478 WNGUQPILHDXOHC-CYBMUJFWSA-N 364.427 1.173 0 40 FDAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704543 PHVZBOCJYDEPCT-NEPJUHHUSA-N 356.444 1.527 0 40 FDAB COC(=O)N1Cc2nnc(C)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306132432 LIQVKFOONBPLQH-UHFFFAOYSA-N 359.386 1.393 0 40 FDAB COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2c1 524731617 DXUAUCJAKFTUDG-CYBMUJFWSA-N 366.373 1.985 0 40 FDAB biogenic CCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 72241393 DTBLMWUXNYFWNZ-DLBZAZTESA-N 365.861 1.402 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217469773 UIFQHNKLDLWSGY-ZDUSSCGKSA-N 372.443 1.291 0 40 FDAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)cc1 72371615 LDDKXPHJPPBLHZ-HNNXBMFYSA-N 372.469 1.917 0 40 FDAB CCc1ccc(CS(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1 564320286 ZUVKDSGFTLDXII-INIZCTEOSA-N 355.456 1.796 0 40 FDAB C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N1CCOCC1 226754869 PKUFVYBMILTCHH-JTQLQIEISA-N 368.231 1.962 0 40 FDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226860253 FGONYUXLICWQBY-UHFFFAOYSA-N 360.347 1.158 0 40 FDAB COCCn1nnn(-c2ccc(NC(=O)COc3ccccc3)cc2)c1=O 77100121 ADQWUENKXWYSGV-UHFFFAOYSA-N 369.381 1.093 0 40 FDAB O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)N1CCCCCC1 22412139 FOQPIVKYRPVYGZ-OAHLLOKOSA-N 373.544 1.832 0 40 FDAB O=C1CN(C(=O)c2ccc(CNC(=O)c3ccc(F)cc3F)cc2)CCN1 49770420 KJDAPFFEWNUQTG-UHFFFAOYSA-N 373.359 1.467 0 40 FDAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)O)cn1 49468373 QRJGZAVMSNKOME-UHFFFAOYSA-N 355.803 1.790 0 40 FDAB CCN1CCN(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)C(=O)C1=O 225611039 HNMRCESJBTZIME-CYBMUJFWSA-N 353.806 1.164 0 40 FDAB CN1C(=O)CC[C@@H](NC(=O)c2n[nH]c3ccccc23)[C@@H]1c1cncn1C 583619228 ZFNPDTAPTNGZMZ-CXAGYDPISA-N 352.398 1.388 0 40 FDAB CC(C)n1cccc1CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 96116155 JUWPNAREQFQLGH-INIZCTEOSA-N 354.410 1.826 0 40 FDAB biogenic O=S(=O)(c1cccnc1)N1CCN(Cc2cc3n(n2)CCCC3)CC1 585090089 VMPAQKDESJSIIH-UHFFFAOYSA-N 361.471 1.121 0 40 FDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 245237353 KOSFCNDKMPLCEK-LWWSYDQCSA-N 364.423 1.446 0 40 FDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 247920877 CHDMNPVGYSIZEJ-KRWDZBQOSA-N 371.503 1.485 0 40 FDAB Nc1nccnc1[C@H]1CN(C(=O)c2cc(-c3cccnc3)[nH]n2)CCO1 257297321 RGTFXEABZATZSV-CQSZACIVSA-N 351.370 1.058 0 40 FDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@H]2CCCN(C)C2)cn1 257247120 IXOVWVGQFHZKEK-MRXNPFEDSA-N 369.469 1.580 0 40 FDAB COCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 257298234 RKTWBLULRLCUKF-LBPRGKRZSA-N 362.455 1.890 0 40 FDAB O=C(c1n[nH]c2c1CCCC2)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257239005 HNNJYYYQRSSDDT-ZDUSSCGKSA-N 357.414 1.258 0 40 FDAB CC[C@@H]1CN(S(=O)(=O)c2csc(C(=O)O)c2)C[C@@]2(CCOC2)O1 368445098 FQDWIZMDSQDYHY-QMTHXVAHSA-N 361.441 1.405 0 40 FDAB COCc1ncc2c(n1)CCN(C(=O)c1ccc(OCC(=O)O)cc1)C2 630304935 LWTVZEFNSOGZEV-UHFFFAOYSA-N 357.366 1.285 0 40 FDAB CN1CCCC[C@@H](CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 624137431 LGRUJXRCPMIXLR-LSDHHAIUSA-N 365.499 1.589 0 40 FDAB Cc1cn2c(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)c(C)nc2s1 681915234 AXCKXFNMSOMFOO-LBPRGKRZSA-N 358.471 1.660 0 40 FDAB CO[C@H](C(=O)N1CC[C@]2(NC(=O)Cc3cn(C)nc3C)CCC[C@H]12)C1CC1 1775992689 UODDDKUZJYQNOK-XKGZKEIXSA-N 374.485 1.336 0 40 FDAB CCC[C@H](OCC)C(=O)N1CCC([C@@H]2NC(=O)CC[C@H]2NC(C)=O)CC1 1775996644 BLGGDLRPFZPPQE-RYRKJORJSA-N 367.490 1.214 0 40 FDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)CCn3ccnc3)C2)c1 585278971 XNMRDDPFHSPJFM-IBGZPJMESA-N 359.426 1.251 0 40 FDAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@H]12)NCc1cccnc1 585108410 HEMXROZOTCYTCY-GLUHHBOGSA-N 361.417 1.309 0 40 FDAB CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccs1)CC3 585110160 RACVPAUDAHJWNA-CYBMUJFWSA-N 372.494 1.942 0 40 FDAB CC(=O)NCCCC(=O)N1CCC[C@]2(CCN2Cc2c(C)noc2C)C1 585102269 VZNUHJKPQGNWFW-IBGZPJMESA-N 362.474 1.775 0 40 FDAB Cc1c(CN2Cc3ccnn3CC[C@@H]2CNC(=O)CC2CC2)cnn1C 585096831 DLONOAVIBIYPEI-QGZVFWFLSA-N 356.474 1.616 0 40 FDAB O=C(NC[C@H]1CCCO1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008451 FVVVFNIHCCHQON-MRXNPFEDSA-N 372.400 1.795 0 40 FDAB CCc1cnc(OC2CCN(C(=O)c3cn(C)c(=O)cc3OC)CC2)nc1 1776008388 FRNDQYHMCVBUOL-UHFFFAOYSA-N 372.425 1.430 0 40 FDAB O=C(NCC1CC1)[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 47980796 ABHAGMIYHZOOGD-MRXNPFEDSA-N 350.484 1.699 0 40 FDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3c(c2)OCO3)NC(=S)N1 5783722 XOWFSFVHBAVPQH-HNNXBMFYSA-N 361.423 1.067 0 40 FDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)C[C@H]2CCCO2)n1 19585338 IRUILORIRNGNBK-OAHLLOKOSA-N 355.442 1.832 0 40 FDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cc(O)ncn4)C[C@H]3C2)nn1 1888844637 SICGYDNPVCPOOJ-CHWSQXEVSA-N 368.441 1.478 0 40 FDAB Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(N2CCCC2)n1 1889149033 GCPOOVZZZRZTSV-UHFFFAOYSA-N 365.445 1.150 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1cccs1 24830533 RDVVFVNUSJMBOR-LLVKDONJSA-N 356.444 1.913 0 40 FDAB CC(=O)Nc1ccc(CNC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1 25553967 WWDOAHYRQRBAAX-AWEZNQCLSA-N 369.421 1.845 0 40 FDAB CC1CCC(C(=O)N2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)CC1 1565549305 UJDWNSVIQKQDMX-MPLMCADHSA-N 362.474 1.739 0 40 FDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc2c(c1)OCCO2 4941487 PLAWPILHCKLBDC-ZDUSSCGKSA-N 362.382 1.198 0 40 FDAB CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(OC)c2)CC1 9850569 AGDBCFJWMZNURQ-UHFFFAOYSA-N 367.413 1.278 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(S(=O)(=O)C2CC2)CC1 2055745589 MCRTYFRAAMBRQO-UHFFFAOYSA-N 355.435 1.310 0 40 FDAB CCCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713405 KXCJYHCUTMUXER-HNNXBMFYSA-N 362.474 1.567 0 40 FDAB Cc1ccnc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 2086884383 JENMSBJAFHQXLS-UHFFFAOYSA-N 351.410 1.203 0 40 FDAB CCN1CCN(C(=O)N2CCS[C@@H](c3ccco3)CC2)C(=O)C1=O 219437905 HIRMILHBCVJSKW-CYBMUJFWSA-N 351.428 1.570 0 40 FDAB COc1ccc(CCNC(=O)NCc2nc(-c3cnn(C)c3)no2)cc1 575615572 FJDAMEXIYKQHCD-UHFFFAOYSA-N 356.386 1.521 0 40 FDAB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011393 XEUVJSZYSDFOQR-SSDOTTSWSA-N 371.444 1.576 0 40 FDAB O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6672756 YHWSUWHJDWWTSQ-NHAYFPRASA-N 353.422 1.422 0 40 FDAB O=C(Nn1cnnc1S)c1ccc(-n2cc(Br)cn2)cc1 40086592 BMUZSQLKYIQPNQ-UHFFFAOYSA-N 365.216 1.899 0 40 FDAB COc1ccc(Cl)cc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 32810307 OVJBRSYODMNWKV-CZUORRHYSA-N 368.861 1.816 0 40 FDAB COc1ccc(OC)c(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816568 WVFQQKIEMGKCTH-NSHDSACASA-N 360.332 1.731 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C 32916293 YTDBITQOKUUJBW-UHFFFAOYSA-N 367.453 1.558 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(CCSc2ccccc2)CC1 52804987 KUPASLOOEYGBMF-HNNXBMFYSA-N 364.515 1.631 0 40 FDAB C[C@]1(NC(=O)c2ccc(N3CCCCC3=O)cc2)CCS(=O)(=O)C1 22551348 MZVBIZWQESDGQP-KRWDZBQOSA-N 350.440 1.511 0 40 FDAB COc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1 12446296 AKAFHTNWDXTLSP-UHFFFAOYSA-N 368.393 1.359 0 40 FDAB O=C(CNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)NCc1ccco1 55050158 GDGVGYCBDUHTLK-LLVKDONJSA-N 367.814 1.920 0 40 FDAB CCCn1ccnc1SCc1nc2ccccc2c(=O)n1CC(N)=O 25048398 CKXZMSLWNOBPEW-UHFFFAOYSA-N 357.439 1.781 0 40 FDAB O=C(Cn1cccnc1=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 25140123 QJSQQEWYJGQPRK-UHFFFAOYSA-N 361.423 1.598 0 40 FDAB CCCCCNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 6596900 BOMYAJBLWOEHEP-UHFFFAOYSA-N 358.460 1.776 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 7323696 GRXHPEBZBCNZEL-UHFFFAOYSA-N 369.420 1.678 0 40 FDAB O=C1COc2ccc(C(=O)NCC(=O)N3CCCc4ccccc43)cc2N1 57269273 PKGQGZAKOPSNET-UHFFFAOYSA-N 365.389 1.727 0 40 FDAB CCc1cccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 8035410 CZMVTRVOBHSASF-UHFFFAOYSA-N 362.451 1.634 0 40 FDAB O=C(NCCN1CCN(C(=O)[C@@H]2CCCOC2)CC1)c1ccccc1F 108824972 OTYHFXFNQGCNDT-OAHLLOKOSA-N 363.433 1.126 0 40 FDAB CC[C@@H](CO)NCc1cc(Br)c(OCC(N)=O)c(OC)c1 8326259 GQHIAODOMRDOKC-JTQLQIEISA-N 361.236 1.182 0 40 FDAB O=C(CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1)Nc1ccccn1 58217601 SYCSIORZSVYDRC-OAHLLOKOSA-N 353.426 1.838 0 40 FDAB CCc1nnc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)s1 58304804 FFVVSGDZCDAVJQ-UHFFFAOYSA-N 366.877 1.732 0 40 FDAB COCCCNC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 28064243 PUDDRAGCVUZPKS-CYBMUJFWSA-N 365.455 1.000 0 40 FDAB COc1ccccc1-c1nnc(SCc2nc(N)nc(N(C)C)n2)n1C 10533121 RPKNVYMGAVPLTL-UHFFFAOYSA-N 372.458 1.616 0 40 FDAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)Nc1ccc(F)cc1 11091587 DWWFIGZDXBDWOT-SECBINFHSA-N 350.423 1.919 0 40 FDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 36701234 WISPXFGQKAUYTO-KRWDZBQOSA-N 369.396 1.947 0 40 FDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 61123837 WTGZNMXOBTYIST-UHFFFAOYSA-N 368.305 1.627 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccnc2)Oc2ccc(Cl)cc21 20108363 LSFQOQKCWXJLTN-CQSZACIVSA-N 367.814 1.901 0 40 FDAB Cc1cccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@@H]2N(C)C)c1 59417246 WJCGXFWLRWRBRH-GOSISDBHSA-N 370.434 1.662 0 40 FDAB Cc1csc(CN2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)n1 108536064 YOFFWYUTMXNYMO-GJZGRUSLSA-N 359.455 1.357 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 48373926 DCIQCWBNDSLZDO-AWEZNQCLSA-N 353.488 1.212 0 40 FDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(F)cc(F)c1 12891171 ZZGXAADXHUQXDC-UHFFFAOYSA-N 354.378 1.944 0 40 FDAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)CNC(C)=O)cc1 3615084 XQQNJYVEQFYDQG-IBGZPJMESA-N 369.421 1.970 0 40 FDAB biogenic CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)ccc21 13306783 MHXWYNUVQFQNQA-ZDUSSCGKSA-N 352.412 1.081 0 40 FDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 96000489 GAXYSNNAMKXGKM-JTQLQIEISA-N 356.835 1.539 0 40 FDAB Cc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc(O)cc(O)c12 5345896 SOZHIMHWXJTPCG-UHFFFAOYSA-N 374.393 1.184 0 40 FDAB COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCCO3)c(=O)oc2c1OC 5348236 IXEWGDDNPLFSEF-LBPRGKRZSA-N 361.394 1.956 0 40 FDAB CN(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 14141332 PRVPCFKNFGYXEE-SFHVURJKSA-N 350.422 1.885 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(CN2CCCC2=O)c1 14111683 SBZWQSYQPMMLFX-UHFFFAOYSA-N 369.421 1.790 0 40 FDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 14159467 JUUJCLSMHKKXAZ-AWEZNQCLSA-N 369.425 1.032 0 40 FDAB CC(C)(C)N1C(=O)[C@H]2C3C=CC([C@@H]2C1=O)[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]31 4553202 LZGVDLOLBZIVCC-CWLJSIFISA-N 358.438 1.602 0 40 FDAB COc1cc(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc(OC)c1OC 5475487 IQRVSURQXMZSAI-CQSZACIVSA-N 368.386 1.018 0 40 FDAB Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)s1 6652287 RQODMSTUDDRFBF-UHFFFAOYSA-N 372.497 1.947 0 40 FDAB Cc1c(C(=O)C(C)C)c2cc(NS(C)(=O)=O)ccc2n1S(C)(=O)=O 6623423 QVGCCIWNQQHHTA-UHFFFAOYSA-N 372.468 1.968 0 40 FDAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC[C@@H]1CN1CCCC1 66945874 BDIQCUZJGCZYSX-GOSISDBHSA-N 366.465 1.992 0 40 FDAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC1CC1 15513064 OKAASJCXFOZWFF-JTQLQIEISA-N 355.423 1.868 0 40 FDAB COC(=O)[C@](NC[C@H]1CCCO1)(NC(=O)C1CCCCC1)C(F)(F)F 19856750 FOXPTPQAPFYJSG-DOMZBBRYSA-N 366.380 1.883 0 40 FDAB Cc1sc2ncn(CC(=O)N3CCNC3=O)c(=O)c2c1-c1ccccc1 7537507 XHXLGPJBIFLSRB-UHFFFAOYSA-N 368.418 1.985 0 40 FDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(F)cc1 9551426 KPRLWRVSWHHBIX-UHFFFAOYSA-N 362.382 1.998 0 40 FDAB CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccccc2)c1C 8755262 DCJMTDCNPNUPBB-UHFFFAOYSA-N 371.484 1.767 0 40 FDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C(C)(C)CO1 95459614 INAQBZZWBBEATR-LBPRGKRZSA-N 356.444 1.704 0 40 FDAB COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 95993536 SHRWVOITJNLZQM-KBPBESRZSA-N 367.833 1.086 0 40 FDAB C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccccc1C(F)(F)F 95997654 BGFCTGPQQJMMDD-QMTHXVAHSA-N 358.360 1.939 0 40 FDAB CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997994 BPAFYFHTPYUMLZ-SFHVURJKSA-N 367.453 1.975 0 40 FDAB Cn1nccc1CN1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95999536 WCBJYDGPXHGUPU-AWEZNQCLSA-N 359.396 1.091 0 40 FDAB O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 17586295 LLZXASYAWTUZDT-OAHLLOKOSA-N 361.423 1.791 0 40 FDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CCCCC2)CC1 36390035 LZAFWLYLTKMKFH-UHFFFAOYSA-N 372.513 1.872 0 40 FDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)C(=O)O 218204187 IXKAONPVWWUNET-NQBHXWOUSA-N 362.245 1.379 0 40 FDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217470753 IPMRHWDHDVZGNR-NSHDSACASA-N 360.432 1.146 0 40 FDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217532986 YFRFGPHQMIDODB-DGCLKSJQSA-N 372.443 1.289 0 40 FDAB COc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)CC1=O 43007113 COYWCPVLLGEDPG-OAHLLOKOSA-N 373.453 1.375 0 40 FDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)cn1 96160532 CUPNNIFVPPNIFD-FUHWJXTLSA-N 357.414 1.072 0 40 FDAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 96183037 POXIGMLOQNBFDS-UHFFFAOYSA-N 352.456 1.742 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2ccnnc2)CC3)c1 96051721 WHITXTXUUKASPP-INIZCTEOSA-N 353.426 1.630 0 40 FDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3cnn(C)c3C)OCC(=O)N2C)cc1 96181419 ZZGMWPPXZYPNHP-MSOLQXFVSA-N 356.426 1.252 0 40 FDAB COc1cc(CC2CN(C(=O)C3CCS(=O)(=O)CC3)C2)cc(OC)c1 333387237 YLRDVPINKFQUKB-UHFFFAOYSA-N 367.467 1.530 0 40 FDAB COCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 96220984 FREYJGXRHANWPQ-INIZCTEOSA-N 372.425 1.174 0 40 FDAB biogenic CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)C1 248046358 MHCAFLUVNWRRPQ-CJNGLKHVSA-N 352.460 1.029 0 40 FDAB O=C(O)COCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 247389907 LBTDMFSDZAXFGR-CQSZACIVSA-N 357.362 1.851 0 40 FDAB O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)[C@H]1C[C@H]2C=C[C@H]1O2 247461640 BAPCDOLDFWIKOC-SOLBZPMBSA-N 361.405 1.794 0 40 FDAB Cc1cc(CN2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)n(C)n1 248019550 HLBVJSMMVYBGAQ-OAHLLOKOSA-N 353.488 1.144 0 40 FDAB OCCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 257276425 NTSCBFOEZUSOCH-ROUUACIJSA-N 370.440 1.724 0 40 FDAB COCCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1F 257288393 PUANBQOWKNDYTF-PBHICJAKSA-N 352.406 1.250 0 40 FDAB Cc1ncccc1O[C@H]1CCN(C(=O)CCc2ccnn2C)CC[C@@H]1O 257333944 YDUBZZJFPNLGIF-WMZOPIPTSA-N 358.442 1.487 0 40 FDAB Cc1csc(C(=O)N2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)c1 257206586 BECRUGXSCMUENP-JTQLQIEISA-N 355.441 1.397 0 40 FDAB CN(C)c1ncc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cn1 257212439 CDKOVZXVUPSZQD-SFHVURJKSA-N 356.430 1.678 0 40 FDAB CCN(c1ccccc1)[C@H]1COC2(CCN(C(=O)CNC(C)=O)CC2)C1 257227853 FRFJTCPHEQTHNT-GOSISDBHSA-N 359.470 1.799 0 40 FDAB O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1CCc1cnccn1 257268813 MNHRELRCDHSTSC-AWEZNQCLSA-N 351.403 1.638 0 40 FDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 629333442 RGSRKNAYELTSEF-DTWKUNHWSA-N 367.349 1.170 0 40 FDAB C[C@H](Oc1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1F)C(=O)O 630261084 YGZIKSHTPGDPKH-QMMMGPOBSA-N 351.338 1.671 0 40 FDAB Cn1cc(N2[C@H](C(=O)N3CCc4ccccc4C3)CC[C@@H]2C(=O)O)cn1 630650693 PLIUXFSINPGDFJ-DLBZAZTESA-N 354.410 1.427 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@H]1C 585096300 GOAYLMZOIHGPPW-UMVBOHGHSA-N 353.426 1.767 0 40 FDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)c3ccc(OC)cc3)[C@@H](C)C[C@H]21 1775964285 APZMOPXIIYDQLT-VIBAHUMZSA-N 360.454 1.945 0 40 FDAB biogenic,in-vitro Cn1ncc(C(=O)NCCOc2ccc3c(c2)OCO3)c1-n1cccc1 40121782 IKHKERYVKBKKIH-UHFFFAOYSA-N 354.366 1.748 0 40 FDAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1c2ccccc2C[C@H]1O 79158319 RROGOMRSKVHBSO-GLQYFDAESA-N 357.376 1.828 0 40 FDAB Cc1cc(C(F)F)n2ncc(C(=O)N3CC[C@H](Cn4ccnn4)C3)c2n1 1263861285 VWUYOUYGGXSISK-NSHDSACASA-N 361.356 1.729 0 40 FDAB CCOC(=O)[C@H]1[C@H](c2cccc(C)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11859284 NYBXAAGEGZOEGZ-SUNKGSAMSA-N 362.373 1.944 0 40 FDAB O=C(Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O)NCC1CC1 12117396 YXSKUKSHWXRSRP-UHFFFAOYSA-N 367.384 1.761 0 40 FDAB COCCn1c2ccccc2n2c(=O)n(CC(=O)NCc3ccco3)nc12 12144402 ZUEZOHUENNLGBU-UHFFFAOYSA-N 369.381 1.007 0 40 FDAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1 12161090 IMRXXQOBWWCFDT-CQSZACIVSA-N 356.386 1.731 0 40 FDAB O=C(Cc1cccc(F)c1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181482 OZBAMLHELDEMDG-UHFFFAOYSA-N 356.401 1.637 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NC[C@@H]2CCCO2)n1 12735058 ZEULMBVZPLVHKE-KBPBESRZSA-N 359.430 1.117 0 40 FDAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1Cl 13636677 OSUSFIZPHWRPIE-CQSZACIVSA-N 350.802 1.811 0 40 FDAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCS(=O)(=O)CC1 19405596 FHGQCRSUSPRCSD-UHFFFAOYSA-N 368.418 1.562 0 40 FDAB Cc1ccc2c(c1)cc(C(=O)N1CCC3(CC1)NC(=O)N(C)C3=O)n2C 19661179 IBXFEJWYEVSPPB-UHFFFAOYSA-N 354.410 1.643 0 40 FDAB CNc1cc(CN(C)C(=O)Cc2csc(C)n2)nc([C@H]2CCCNC2)n1 19709708 WBACNZCLMBIKEQ-ZDUSSCGKSA-N 374.514 1.951 0 40 FDAB COc1cccc(N2CCC[C@H](NC(=O)N3CCN(C4CC4)C(=O)C3)C2)c1 673980796 VTNDHXLYOIYPSL-HNNXBMFYSA-N 372.469 1.680 0 40 FDAB CCCC(=O)N1CCc2nc(C3CCN(C(=O)C4CC4)CC3)[nH]c(=O)c2C1 19501612 XTWNWCKMYUUOOO-UHFFFAOYSA-N 372.469 1.571 0 40 FDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(OC)c1 3443205 NDYJISYTJCWGHS-UHFFFAOYSA-N 350.371 1.629 0 40 FDAB CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 3907537 NHKNPKYIKCLROX-UHFFFAOYSA-N 361.379 1.416 0 40 FDAB Fc1cnc(OC[C@@]23CCC[C@@H]2CN(c2ncnc4[nH]cnc24)C3)nc1 1888888196 ROLZFXOFRLBOMP-DIFFPNOSSA-N 355.377 1.968 0 40 FDAB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(=O)n(C)c(=O)n1C 1888890937 INTQGEUKKBFGGD-UHFFFAOYSA-N 366.462 1.167 0 40 FDAB O=S1(=O)N=C(N2C[C@@H]3CN(c4ncncc4F)C[C@@H]3C2)c2ccccc21 1888930432 PUTJRXCKEGEPHA-TXEJJXNPSA-N 373.413 1.133 0 40 FDAB Cn1cc(-c2cnc(OC3CCN(c4nccn(C)c4=O)CC3)nc2)cn1 1889139467 CQOYUJPDOVXZCQ-UHFFFAOYSA-N 367.413 1.019 0 40 FDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4ccsc34)CC2)[nH]1 1889148887 PAGUPMALVSUSGO-UHFFFAOYSA-N 355.471 1.970 0 40 FDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2cccn(C)c2=O)cn1 1614932909 DZWCXPLRUNNEOT-ZWKOTPCHSA-N 370.453 1.371 0 40 FDAB O=C(N1CCO[C@@H]2C[C@@H](COCCN3CCCC3)C[C@H]21)C1(F)CCC1 1565549116 LUHYOUVYIURNOS-GVDBMIGSSA-N 354.466 1.997 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)[C@]2(C)CC=CCC2)C[C@@]2(CNC(=O)C2)C1 1565553493 AVYXXDKUDFCUBQ-RTBURBONSA-N 362.474 1.065 0 40 FDAB COC(=O)CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 4358446 GQCHYOYKKAUEFU-UHFFFAOYSA-N 371.422 1.362 0 40 FDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)n1 12443965 QSOHCVZKVUICDD-UHFFFAOYSA-N 364.427 1.002 0 40 FDAB CN([C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 2086875469 JNVJQVUTKGMQCN-OAHLLOKOSA-N 369.462 1.653 0 40 FDAB COc1ccc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cn1 575610208 DZAAIPLSUMGPJP-UHFFFAOYSA-N 357.410 1.781 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)NCCN1CCN(c2ccccc2)CC1 40087026 VDMGJVKZUCGOMW-UHFFFAOYSA-N 355.486 1.518 0 40 FDAB Cc1cc(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 50857024 BDEDFATWTPTMIU-BLGFXRMMSA-N 353.422 1.820 0 40 FDAB COc1cc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc(Br)c1O 101675420 IZCQFBJCYHBBGM-SECBINFHSA-N 367.159 1.738 0 40 FDAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CN2CCOCC2)c2ccccc2N1 22384900 NOYHWGBTFMSIJG-ZDUSSCGKSA-N 357.332 1.625 0 40 FDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 3322657 YVFWBFNLXYTRIG-DJJJIMSYSA-N 359.426 1.812 0 40 FDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(OC)c1 1432457 IUCDENRQHWGVAI-KBPBESRZSA-N 364.427 1.926 0 40 FDAB O=C(C[C@H]1C=CCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436954 DSLYQTLFTXICKJ-ZDUSSCGKSA-N 370.496 1.742 0 40 FDAB O=C(CN(C[C@@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 108157361 WPWAVRMRLUWJGT-GJZGRUSLSA-N 363.424 1.726 0 40 FDAB CCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 7901385 FOQKYDGFZYHRCK-AWEZNQCLSA-N 369.425 1.091 0 40 FDAB C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 35413564 RCSPDHFINXHASV-HNNXBMFYSA-N 351.472 1.004 0 40 FDAB NS(=O)(=O)c1ccc(OCCSc2nnc(NC3CC3)s2)cc1 8249536 WHLYQAAUBOHFQX-UHFFFAOYSA-N 372.497 1.931 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccccc1NCC(F)(F)F 58202537 LDHXMJNHKKMOGR-UHFFFAOYSA-N 370.331 1.917 0 40 FDAB CCOCCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 58306901 ZILUFFPAXXPGJE-GFCCVEGCSA-N 374.459 1.326 0 40 FDAB CC(=O)N1CCc2cc(C(=O)N[C@@H]3COc4ccccc4C3=O)ccc21 89954551 BCAKTCWMSLPKEK-MRXNPFEDSA-N 350.374 1.969 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(Cc2ccc(OC)cc2)C2CC2)C1=O 28720687 HCOFLWNXURYVKS-LJQANCHMSA-N 374.441 1.411 0 40 FDAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCC(C(N)=O)CC1 2450679 LLEIKIUFFQDFRZ-UHFFFAOYSA-N 372.425 1.399 0 40 FDAB COc1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 3221281 KFZSBCNNJDQQIW-UHFFFAOYSA-N 353.378 1.881 0 40 FDAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216741 HJRVCACADMYWDC-ZDUSSCGKSA-N 371.414 1.973 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H](O)c1ccc(F)c(F)c1 48175227 CMWYWJFCXAIGPE-INIZCTEOSA-N 374.343 1.801 0 40 FDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCn3cccn3)ccc21 57280224 FSGICBCULSZPLV-UHFFFAOYSA-N 362.455 1.506 0 40 FDAB O=C(O[C@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 3371948 LKCYSGAUTVXVNT-INIZCTEOSA-N 365.341 1.955 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCC(N)=O)n1C1CC1 12808540 GIWRAMVETNHTPF-YPMHNXCESA-N 365.503 1.818 0 40 FDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 12818325 ZGUVALAIYMNMCN-HIFRSBDPSA-N 353.440 1.576 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3451000 COYSQEKEPGGBEQ-SWLSCSKDSA-N 358.394 1.521 0 40 FDAB Cc1ccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 12978595 IJSIMYBILVKCGC-UHFFFAOYSA-N 357.435 1.740 0 40 FDAB C[C@H]1C[C@@H](Sc2nnc(N3CCOCC3)n2Cc2ccccc2)C(=O)O1 12908677 UAPFBJDJCFBONM-DZGCQCFKSA-N 374.466 1.959 0 40 FDAB CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 13077207 YLXPQGWIHMMVDH-UHFFFAOYSA-N 355.199 1.058 0 40 FDAB Cc1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cnn1C 13297519 MRPPXLGVOCCBBC-UHIISALHSA-N 350.419 1.536 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(OCC)cc3)C2=O)C1 5053974 YKRVUPAARBGDNP-QGZVFWFLSA-N 374.353 1.394 0 40 FDAB CC(C)CCn1c(CN2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13815727 OBPAEYCGZUQYBR-AWEZNQCLSA-N 361.490 1.712 0 40 FDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 4423800 XEZALSDKKABRTC-LKFCYVNXSA-N 356.165 1.374 0 40 FDAB O=C(c1cc(Br)ccc1O)N1CCN(c2ncccn2)CC1 14139540 YDYQMYPMQULVBF-UHFFFAOYSA-N 363.215 1.907 0 40 FDAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 14100780 PTWKFXXSMMRWDY-UHFFFAOYSA-N 373.862 1.099 0 40 FDAB CN(C)S(=O)(=O)c1cccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1 14190807 JJHLNTVRYXSHSM-SFHVURJKSA-N 373.478 1.349 0 40 FDAB COc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(C)(=O)=O)c1 6847997 UFGFZDXIYRTRNQ-WOSRLPQWSA-N 352.456 1.766 0 40 FDAB CNC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2C)c2ccccc2O1 7255383 RYABSJZLCIUBJC-SFHVURJKSA-N 353.422 1.625 0 40 FDAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(F)c1 9677655 KABKZKMEVLPSBO-UHFFFAOYSA-N 374.416 1.934 0 40 FDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)c1 8392490 CSRRFJOTCYZSSG-RISCZKNCSA-N 355.412 1.578 0 40 FDAB CCOC(=O)C1=C(COC(=O)CC)NC(=O)N[C@@H]1c1ccc(OC)cc1 8390547 BSRGUTWAYSCCKH-MRXNPFEDSA-N 362.382 1.820 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)N[C@H]1CCCc2ccccc21 8735560 FTWUJRAKLXIWRY-AWEZNQCLSA-N 355.423 1.684 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 8945694 VUPWACSOUOYHIU-UHFFFAOYSA-N 354.428 1.010 0 40 FDAB COC(=O)c1ccc(C)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1 89644412 RVKZSZDPAMSFDS-UHFFFAOYSA-N 369.425 1.332 0 40 FDAB CCOC(=O)C1(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCCC1 84791211 RACWUTAARZLSGS-GFCCVEGCSA-N 358.394 1.663 0 40 FDAB CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1 95481244 YNQJEMZWZNZHCU-MRXNPFEDSA-N 365.817 1.752 0 40 FDAB COc1ncccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccco3)[C@H]2C1 306136285 POWOCDYEUZMZDF-BFYDXBDKSA-N 357.410 1.560 0 40 FDAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 409138139 ZCBBQFBKHJGMLR-ZSOIEALJSA-N 359.407 1.728 0 40 FDAB CC(C)n1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)cn1 306142496 XASXKLIHZWJQGD-INIZCTEOSA-N 372.473 1.156 0 40 FDAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1N1CCOCC1 30822949 HGIZHVPVELYNTK-UHFFFAOYSA-N 360.801 1.411 0 40 FDAB C[C@@]1(NC(=O)CN2CCCc3cc(F)cc(F)c32)CCS(=O)(=O)C1 36754139 YWEPUIWTWRYMEX-MRXNPFEDSA-N 358.410 1.411 0 40 FDAB Cc1cc(C)nc(Nc2nccnc2C2CCN(S(C)(=O)=O)CC2)n1 72363566 WUQVOUBONHSRMZ-UHFFFAOYSA-N 362.459 1.766 0 40 FDAB COCCNC(=O)c1nnn(-c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)n1 71002590 OSYGODSDGOXCHY-ZDUSSCGKSA-N 370.413 1.333 0 40 FDAB O=C(c1cnn2c1OCCC2)N1CCS(=O)(=O)C2(CCCCC2)C1 560235769 WOVLBDNZYIQQNQ-UHFFFAOYSA-N 353.444 1.239 0 40 FDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241366 UZJCHCKAJZXRDF-CVEARBPZSA-N 354.834 1.781 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)c1 70639343 IOYXSZQCKIDJKS-AWEZNQCLSA-N 351.424 1.586 0 40 FDAB Cn1nnn(-c2ccc(NC(=O)c3nc4ccccc4s3)cc2)c1=O 75163129 NKKXGYANTBUJNU-UHFFFAOYSA-N 352.379 1.828 0 40 FDAB O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@H](c2nc(O)n[nH]2)C1 573288186 PNFPBAYRPAJXDA-ZDUSSCGKSA-N 353.386 1.175 0 40 FDAB COc1cc(N2CCC[C@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)ncn1 96223135 SPETZSWJLFCJHH-KDOFPFPSSA-N 356.430 1.824 0 40 FDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CC(=O)N2CCCCCC2)C1 583615093 MOOPFEQFZJQCNY-CABCVRRESA-N 358.446 1.289 0 40 FDAB C[C@H]1CCCC[C@H]1NC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248159812 XDCQXSSPOXQACO-LUKYLMHMSA-N 360.502 1.929 0 40 FDAB Cc1ccn(CCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)n1 524731095 KCLJKVXFWUJAAX-ZSZQSSIHSA-N 354.410 1.418 0 40 FDAB biogenic CN(C)C(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCN1C 257211734 CAEOLTSLAHZWSH-QGZVFWFLSA-N 371.437 1.849 0 40 FDAB CCCS(=O)(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257255841 KJBJLPGABGSQQM-KRWDZBQOSA-N 353.488 1.791 0 40 FDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)on1 257307268 SXYAAHNTNNVWMV-OAHLLOKOSA-N 359.430 1.831 0 40 FDAB CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccccc3C)C2)ncn1 257324050 WMXZZJACCBFKET-LJQANCHMSA-N 355.442 1.540 0 40 FDAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc2cnccc2c1 626583925 ZAUHTDYRCZHVNL-OAHLLOKOSA-N 364.427 1.017 0 40 FDAB O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 624217637 BEJBDVLHDVMODZ-PBHICJAKSA-N 360.433 1.857 0 40 FDAB CC[C@H](C)[C@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)n1cnnn1 1615154241 FJHIVKZFRIPOMA-CWRNSKLLSA-N 353.430 1.900 0 40 FDAB Cc1ccsc1CCNC(=O)Cn1cnc2c1CCNC21CCOCC1 1615553157 URIFIPYEXVKCSY-UHFFFAOYSA-N 374.510 1.763 0 40 FDAB Cc1nccn1Cc1cn(CC(=O)N[C@@H]2CCOc3ccccc32)nn1 640843641 LBRXUWQMOJTGJP-MRXNPFEDSA-N 352.398 1.471 0 40 FDAB COc1ccc(C(=O)NCc2ccc3cnn(C)c3c2)cc1OCCO 643246494 GSEKBCRCNUPAHU-UHFFFAOYSA-N 355.394 1.883 0 40 FDAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1 648051662 QTZPOUWMMWYGAH-GOSISDBHSA-N 368.437 1.841 0 40 FDAB O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCO[C@H]1c1ccncc1 649701977 SIGVLVNOFOBKSW-WBVHZDCISA-N 350.382 1.451 0 40 FDAB O=C1NCCc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21 667407019 YJOIITPXRUCENU-UHFFFAOYSA-N 351.410 1.722 0 40 FDAB CCOc1ccc(S(=O)(=O)N(CC)c2cnn(C)c2)cc1C(=O)O 655594831 FNVAGCQJUFRMEY-UHFFFAOYSA-N 353.400 1.732 0 40 FDAB CC(=O)N1CCC(O)(CN2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)CC1 585284058 RARIPECCVUWLAY-MOPGFXCFSA-N 365.518 1.615 0 40 FDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCc3cccnc3)nc2[C@@H]1C 585098240 SLWHZRPMHUBKRR-AWEZNQCLSA-N 355.442 1.696 0 40 FDAB O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@](O)(COc2ccccc2)C1 585278071 QAIAFUPGRQFMHW-LJQANCHMSA-N 357.410 1.181 0 40 FDAB O=C(COc1ccccc1)NCCC(=O)N1CCN(c2ccccn2)CC1 58265177 VEVZSUKWVVLDPC-UHFFFAOYSA-N 368.437 1.316 0 40 FDAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1sccc1-n1cnnn1 58202457 DSWVZRZGMNSTCW-UHFFFAOYSA-N 369.385 1.979 0 40 FDAB CN(C)C(=O)Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)nn1 95456491 ULHOLIARQJZXTL-UHFFFAOYSA-N 358.185 1.631 0 40 FDAB C[C@]1(c2cccc(C(=O)N3CCO[C@H](c4ccco4)C3)c2)NC(=O)NC1=O 676169092 PYLMAVQXHHKVLK-HNAYVOBHSA-N 369.377 1.548 0 40 FDAB Cc1cc(S(=O)(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)ccc1F 1775965867 MYROJOGSRASAQJ-UHFFFAOYSA-N 368.365 1.101 0 40 FDAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)O 5431442 IAMASPDALMCULQ-MRXNPFEDSA-N 352.346 1.816 0 40 FDAB CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCC[C@@H](CO)C3)c(=O)c21 12145123 OPVIKCVECXRNKZ-CYBMUJFWSA-N 372.425 1.503 0 40 FDAB Cc1nc2sc3c(c2c2nn(CC(=O)NC4CC4)c(=O)n12)CC[C@@H](C)C3 12184214 MIKTWTKDRIWJCH-SECBINFHSA-N 371.466 1.818 0 40 FDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(OC)cc2)C1=O 13039616 MQIAYVCSQJFUSH-UHFFFAOYSA-N 362.382 1.532 0 40 FDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc(Br)c2)c1 14198680 CPCUMALVIALJBG-UHFFFAOYSA-N 371.256 1.909 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CN1C(=O)CSC1=O 19130404 REASGUQMFOIZHV-CMPLNLGQSA-N 371.422 1.321 0 40 FDAB CC(C)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19449892 ATCUFEKREICWLP-LJQANCHMSA-N 359.426 1.085 0 40 FDAB COCCn1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 19594033 PZRICPOVFIILCO-CQSZACIVSA-N 371.363 1.760 0 40 FDAB O=C(Cn1cccc(C(=O)NCC2CC2)c1=O)Nc1ccc2[nH]cnc2c1 19750348 FHIXOXIFBUMNMP-UHFFFAOYSA-N 365.393 1.503 0 40 FDAB O=C(/C=C/c1cnc[nH]1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643586094 ZFVUZGNDVSOWMZ-LVYKZCMISA-N 357.385 1.708 0 40 FDAB NC(=O)C1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 244986183 JJKSIFBEBJHMCC-LBPRGKRZSA-N 353.806 1.240 0 40 FDAB COc1ccnc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 15113175 XHFLBXMDSUZVOR-UHFFFAOYSA-N 352.391 1.135 0 40 FDAB COC1CCN(C2CN(C(=O)CCn3cnc4ccccc4c3=O)C2)CC1 575607693 VVIXEKFURLTHLK-UHFFFAOYSA-N 370.453 1.108 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCc3ccccc31)C2=O 7347819 PUFYOVBCOVIUSE-UHFFFAOYSA-N 356.426 1.581 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ncc(-c2cccc(Cl)c2)o1 20943607 GSZBCBHSGVAUJS-ZDUSSCGKSA-N 363.801 1.859 0 40 FDAB COCCCNC(=O)CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O 21270066 QJEQXLILJQDNIZ-NSHDSACASA-N 353.806 1.650 0 40 FDAB Cc1nc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)nc(O)c1F 1888844249 KLNYGJIQOXJYLK-UHFFFAOYSA-N 361.377 1.459 0 40 FDAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3csc(C)n3)CC2)n1 1889092443 FPOGOBWCMQJJMU-UHFFFAOYSA-N 374.514 1.709 0 40 FDAB Cn1cnc2c(N3CCN(c4ccnc(N5CCCC5)n4)CC3)ncnc21 1889149048 KPJRQVYTRVUSNL-UHFFFAOYSA-N 365.445 1.080 0 40 FDAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(O)nn1 24029603 YLKHTKYCIWQOHV-UHFFFAOYSA-N 357.395 1.881 0 40 FDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc2c(c1)OCCO2 25174063 ASUWFECHIZAOGP-UHFFFAOYSA-N 368.311 1.955 0 40 FDAB COc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1OC 25290287 PAANIWKJNKCPNK-UHFFFAOYSA-N 357.410 1.865 0 40 FDAB O=C(c1cscn1)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037840096 HERINTCEZYHWSJ-KRWDZBQOSA-N 361.398 1.930 0 40 FDAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cccc(Cl)n4)C3)CC2=O)cn1 1614940574 QMNFNDZDKDLNTH-QGZVFWFLSA-N 359.817 1.738 0 40 FDAB O=C(Cn1ccccc1=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554407 QIVJCNQOCIKLTH-UHFFFAOYSA-N 367.453 1.548 0 40 FDAB O=C(CCc1cncnc1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552076 JHOJYZVSLQCGLD-QFBILLFUSA-N 368.441 1.461 0 40 FDAB COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)C1CCCC1)C2 10705046 LBRGWUKABVLPFE-UHFFFAOYSA-N 366.483 1.690 0 40 FDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)c2ccccn2)CC1 2055750545 BRULTKATHUIUEQ-UHFFFAOYSA-N 368.437 1.923 0 40 FDAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)C3=CCCC3)CC2)[nH]1 2055745977 WTWARXZOFXZCMO-UHFFFAOYSA-N 371.485 1.348 0 40 FDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4c(F)cccc4Cl)C(=O)[C@H]13)O2 100179125 IXXNRJWKESXNRA-AYMQEEERSA-N 351.761 1.934 0 40 FDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 44357117 QIBXENHIXYJBHE-LBPRGKRZSA-N 352.441 1.568 0 40 FDAB CC(C)Cn1nc(N2CCN(c3cc(C4CC4)ncn3)CC2)ccc1=O 2298031335 CVGDSQVEMIUPQF-UHFFFAOYSA-N 354.458 1.893 0 40 FDAB Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc12 22959402 RXVYITWNAAGXRW-UHFFFAOYSA-N 371.422 1.596 0 40 FDAB O=C1CN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CCN1 23420667 XBCJVGVHSYNZEP-INIZCTEOSA-N 365.433 1.650 0 40 FDAB CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1 55215565 OMBVNPPEKJGQSE-UHFFFAOYSA-N 368.480 1.738 0 40 FDAB CCC(=O)N1CCN(C(=O)c2ccccc2I)CC1 55938742 KZFZEWTZZHUSMU-UHFFFAOYSA-N 372.206 1.986 0 40 FDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 4505446 KQTBTIFLOJTVBU-QMMMGPOBSA-N 358.268 1.801 0 40 FDAB CCN(C(=O)[C@@H](C)Sc1ncc2ccccn12)[C@H]1CCS(=O)(=O)C1 26591832 HTDYOJLNBHHKHC-OCCSQVGLSA-N 367.496 1.851 0 40 FDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1ccc(Cl)s1 53679708 DMEWBCSRDXZHJZ-UHFFFAOYSA-N 364.862 1.940 0 40 FDAB COc1ccc(CS(=O)(=O)CC(=O)N2CCC2)cc1Br 57737048 GQHYQBIAWSXSTQ-UHFFFAOYSA-N 362.245 1.605 0 40 FDAB CN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 8769400 UFLNMNBDTUIWIB-UHFFFAOYSA-N 373.434 1.545 0 40 FDAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)NC(=O)NC1CC1 58178354 ZIPAESBITCBVRH-ZDUSSCGKSA-N 354.451 1.354 0 40 FDAB CCc1nc(NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)sc1C 58227500 MENQQJKONQPADQ-UHFFFAOYSA-N 371.488 1.363 0 40 FDAB COc1cc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)cc(OC)c1O 9109835 IOKCFEKTYJZGBK-QMMMGPOBSA-N 363.395 1.689 0 40 FDAB CCN(c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)C(C)C 58424033 ATOGLRCVTZFZAD-UHFFFAOYSA-N 353.488 1.639 0 40 FDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C(N)=O 10746690 XEFIIBAIUXGDND-SECBINFHSA-N 363.233 1.096 0 40 FDAB CCCCCCNC(=O)CSc1nc2cnn(C)c2c(=O)n1CC 36615134 DEJAAJRHJZMXCX-UHFFFAOYSA-N 351.476 1.939 0 40 FDAB O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 2470833 PVMPJPHIMGLJOL-UHFFFAOYSA-N 374.418 1.599 0 40 FDAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(N)=O 2653430 SLFQJUUTHXVBPR-UHFFFAOYSA-N 355.709 1.794 0 40 FDAB CCOc1cc(CNC[C@@H](C)O)ccc1OCC(=O)N1CCCCC1 60816511 VJKORJYGYXPABK-OAHLLOKOSA-N 350.459 1.947 0 40 FDAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)ccc1-n1cnnn1 48354053 DGXRIFOPUFKJMG-AWEZNQCLSA-N 356.430 1.804 0 40 FDAB COc1ccccc1NC(=O)[C@H](C)NCc1ccc(S(N)(=O)=O)cc1 58161349 GRBHIQXELWUISZ-LBPRGKRZSA-N 363.439 1.459 0 40 FDAB CC(C)NC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 3443815 OVUNPFIRWRMGIR-NSHDSACASA-N 367.427 1.130 0 40 FDAB C[C@H](NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(F)cc1 3545803 VSRHSZXXALUDKL-NSHDSACASA-N 361.373 1.736 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)N1 12940282 HQGFQBTZGKAEPB-UHFFFAOYSA-N 366.421 1.861 0 40 FDAB CCNC(=O)CNC(=O)CSc1nnc(Nc2ccc(F)cc2)s1 9254773 NDGLONAVAJCSPT-UHFFFAOYSA-N 369.447 1.765 0 40 FDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1CCN1CCOCC1 63854921 MZGKCYMVCJJLAA-RBUKOAKNSA-N 371.481 1.531 0 40 FDAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 4204341 VIUSQQLCOZSWDR-MRVPVSSYSA-N 364.217 1.605 0 40 FDAB CCCn1nc(C(=O)Nc2nc(CC(N)=O)cs2)c2ccccc2c1=O 14139428 BMLGZNKYOVBUSX-UHFFFAOYSA-N 371.422 1.543 0 40 FDAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1C(=O)CC2(CCCC2)C1=O 14160032 JILLDTHSCFLHHH-UHFFFAOYSA-N 371.437 1.677 0 40 FDAB COC(=O)c1c(NC(=O)C(=O)NCCCN(C)C)sc2c1CCC2 6756148 MEWMEGZNUBHGDG-UHFFFAOYSA-N 353.444 1.030 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 4815391 ILQSTGLIWFVOEJ-UHFFFAOYSA-N 354.428 1.058 0 40 FDAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1ccc[nH]1 6882124 PWWPBPPYXUTVBB-UHFFFAOYSA-N 370.814 1.763 0 40 FDAB COc1ccc(-c2cc3nn(CC(=O)N4CCCC4)c(=O)n3c(C)n2)cc1 67226520 WRIVMPXUCOWWDE-UHFFFAOYSA-N 367.409 1.497 0 40 FDAB COc1cccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 5938259 OKNKFVFIEDRDDX-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 7954489 ZZGRDWGAVWIPOB-UHFFFAOYSA-N 369.396 1.900 0 40 FDAB COc1ccc([C@H](CNC(=O)C2=NNC(=O)CC2)N2CCCCC2)cc1 8428234 VICUITWCPICJTH-KRWDZBQOSA-N 358.442 1.604 0 40 FDAB O=S(=O)(N1CCCCCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 24245042 GFTMTBYVKDWSNV-SFHVURJKSA-N 367.515 1.458 0 40 FDAB NC(=O)COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 8708079 FEZJWGGIROOPGG-INIZCTEOSA-N 357.410 1.711 0 40 FDAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 70715076 IULKKMJNMNRVLM-KRWDZBQOSA-N 355.438 1.785 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 25017913 OSNCRLDCHNOEIG-UHFFFAOYSA-N 353.330 1.717 0 40 FDAB CC[C@H](C)NC(=O)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(C)cc2)C1=O 9077037 RWYRFCLYFNINLP-DJJJIMSYSA-N 374.441 1.776 0 40 FDAB O=C(CNC(=O)NCc1ccccc1)Nc1ccc(N2CCOCC2)nc1 25076826 KTNMSKQBYTVNRT-UHFFFAOYSA-N 369.425 1.356 0 40 FDAB COCCCNC(=O)c1nc([C@@H]2CCCN2C(=O)N(C)C)n2ccccc12 306132192 LBFHSIRJXDVVOT-HNNXBMFYSA-N 373.457 1.919 0 40 FDAB COc1cc2c(cc1OC)CCN(C[C@H](O)COC[C@H]1CCCO1)CC2 517856188 HOLYVZWZSPWGMM-ZWKOTPCHSA-N 365.470 1.661 0 40 FDAB COC(=O)c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1Cl 31056038 GEJSLXGOLWXIJZ-UHFFFAOYSA-N 374.846 1.737 0 40 FDAB CCc1nccn1CCC(=O)N1CCc2nc3ccccc3c(=O)n2CC1 72347934 PUZXTLYCVBMDLY-UHFFFAOYSA-N 365.437 1.630 0 40 FDAB CC(C)OCCNC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 72394750 VKIYFLXPTZWOSI-HNNXBMFYSA-N 365.474 1.632 0 40 FDAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 77319326 SYGWGHVTLUBCEM-KDFRZGAJSA-N 364.482 1.862 0 40 FDAB in-vitro Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@H]1CCCO1 40040828 HWDLQSMPVHGYSB-SNVBAGLBSA-N 357.336 1.598 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 44361978 MKMLCYRTSPXTSS-CQSZACIVSA-N 351.472 1.897 0 40 FDAB CCCN1C(=O)[C@]2(Cc3c(F)cccc3N3CCC[C@H]32)C(=O)NC1=S 229972950 WMWIRVSEZOAZMS-KSSFIOAISA-N 361.442 1.990 0 40 FDAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Cn1ccccc1=O 42601263 MMMJSGRYDJOZCH-GOSISDBHSA-N 368.481 1.565 0 40 FDAB NC(=O)c1ccccc1NC(=O)[C@H]1COCC(=O)N1Cc1cccs1 85472591 XYTODJSIQIIDGC-CQSZACIVSA-N 359.407 1.213 0 40 FDAB CC(=O)N[C@@H](CC(=O)NCCNc1ncccn1)c1ccc(Cl)cc1 48355267 NYYXSHQKCUPMJK-HNNXBMFYSA-N 361.833 1.926 0 40 FDAB Cn1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 81508707 IVALRWNBTYYRGI-UHFFFAOYSA-N 362.455 1.241 0 40 FDAB CN1CCN(c2nc(NCCO)c3cnn(-c4ccc(F)cc4)c3n2)CC1 40217215 ZSHPTRZYDYUKLM-UHFFFAOYSA-N 371.420 1.111 0 40 FDAB Cc1ccc2nc(C[C@H]3CN(S(C)(=O)=O)CC[C@H]3CC(=O)O)[nH]c2c1 514289649 XTTSKESDBZYAJA-STQMWFEESA-N 365.455 1.786 0 40 FDAB biogenic,in-vitro Cn1cc(CN2CCOC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)cn1 96240072 UTXQXDALPPOHIQ-IBGZPJMESA-N 356.426 1.055 0 40 FDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(c1cccnc1)C2 96230555 ZKPWPVLFQRQHTI-FQEVSTJZSA-N 368.485 1.769 0 40 FDAB COCCN1CC2(CCN(Cc3ccc(C)o3)CC2)[C@@H](COC)C1=O 96209086 XXJRODSHTCHVSZ-KRWDZBQOSA-N 350.459 1.921 0 40 FDAB O=C([C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21)N1CCOCC1 247877873 UPJRZXMGRTVFCL-MRXNPFEDSA-N 370.409 1.028 0 40 FDAB Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)c1 257210268 BTWSHEHGKKDWBX-YRXWBPOGSA-N 355.438 1.631 0 40 FDAB Cc1ccnc([C@@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257215241 CPGFTAYHDQWVSP-INIZCTEOSA-N 350.382 1.784 0 40 FDAB COc1cccc(CN(C)CCC(=O)N2CCN(c3ncccn3)CC2)c1 26899770 RHXQXGJCXIUUEI-UHFFFAOYSA-N 369.469 1.656 0 40 FDAB Cn1nccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257328725 XGWBRGASTJLBFR-KRWDZBQOSA-N 355.442 1.625 0 40 FDAB Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 257335710 YLNCSYUWTNZGIQ-IBGZPJMESA-N 360.433 1.864 0 40 FDAB COc1cc([C@@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2C)cc(OC)c1O 604404464 OANMESTWKJMOAI-GFCCVEGCSA-O 351.379 1.496 0 40 FDAB biogenic CC1CC(n2nnc3c2CN(C(=O)c2cc(O)nc(C4CC4)n2)CC3)C1 634226889 GYUOVISQWBICNV-UHFFFAOYSA-N 354.414 1.821 0 40 FDAB O=C(CN1CCN(c2ccccc2)C(=O)C1)N1CCC(c2ccccc2)=N1 680897903 DHPNHCUWLPKCAM-UHFFFAOYSA-N 362.433 1.972 0 40 FDAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)c2ccccc2)C1 575404373 BGOYRXGDLPLNFD-MRXNPFEDSA-N 362.455 1.408 0 40 FDAB O=C([C@H]1CCCO1)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110442 WSIKRBAAKGVMNH-QGZVFWFLSA-N 355.442 1.789 0 40 FDAB COCCn1c(-c2ccc(O)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 36771966 JTQOEYOYLXYDEV-UHFFFAOYSA-N 358.398 1.561 0 40 FDAB C[S@](=O)Cc1ccc(CNC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 557774483 ABPUFBKBHAVQEM-SANMLTNESA-N 374.462 1.246 0 40 FDAB CCOc1ccccc1NC(=O)CSc1nc2c(=O)[nH]c(N)nc2[nH]1 5615676 VFGWGMCCAYMYIF-UHFFFAOYSA-N 360.399 1.358 0 40 FDAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)N4CCOCC4)nnc23)cc1 14607679 KMANKSLTRRJGRG-UHFFFAOYSA-N 367.409 1.889 0 40 FDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCNC(C)=O)ccc1C 15310860 WKKYZMFDDSGOFA-UHFFFAOYSA-N 355.460 1.490 0 40 FDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)CC1 15674482 GSHYKQMMPYWIPL-CVEARBPZSA-N 357.414 1.250 0 40 FDAB biogenic,in-vitro O=C1NC2(CCN(C(=O)c3cnn4cccnc34)CC2)Nc2ccccc21 19374664 GNFNSKOPMFNUOK-UHFFFAOYSA-N 362.393 1.517 0 40 FDAB CN1CCc2nc([C@@H]3CCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 19590654 XJGSVLFMKJKGJR-CQSZACIVSA-N 358.467 1.643 0 40 FDAB Cc1cccn2cc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)nc12 19719206 VMKDQKDQQYPUME-SFHVURJKSA-N 365.437 1.841 0 40 FDAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 165708133 ZMZHYOAXGLZNGM-LUVWLHFXSA-N 370.405 1.590 0 40 FDAB CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570190 FNZIFKNAXVPMSD-UHFFFAOYSA-N 367.515 1.691 0 40 FDAB C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc1c32 12342449 LTDUCPHGLJLPIF-UPJWGTAASA-N 364.467 1.881 0 40 FDAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 5111544 LZFNLJZXMKPIBP-NSHDSACASA-N 365.329 1.166 0 40 FDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4ccc(O)nn4)C[C@H]3C2)nn1 1888844199 XVXKVBJJJRMKQO-CHWSQXEVSA-N 368.441 1.478 0 40 FDAB Cc1nc(C(F)F)cc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 1888844378 XLZMOQWINXIKCR-AWEZNQCLSA-N 351.401 1.608 0 40 FDAB CCc1cc2c(N3CCO[C@@H](C(=O)N4CCOCC4)C3)ncnc2s1 1889128287 VEZXSLGWTCIUIJ-CQSZACIVSA-N 362.455 1.318 0 40 FDAB C[C@H]1CN(C(=O)[C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@@H](C)O1 25826468 NJDBLHUUNOIDFY-BBWFWOEESA-N 373.497 1.905 0 40 FDAB O=C(Cn1ncccc1=O)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238883251 PPVVDZJNTWSZLM-NSHDSACASA-N 357.395 1.371 0 40 FDAB Cn1ccnc1C(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984509 CUOLTFSTBNSCFG-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2[C@H]1C 8706181 TYHJOVWDHNACBF-NSHDSACASA-N 370.388 1.471 0 40 FDAB O=C(NCc1ccccn1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234308 OPKCRTWJLOGUFI-UHFFFAOYSA-N 366.356 1.254 0 40 FDAB Cn1cnc(C(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)c1 1775975940 RCDVVMMMIPTQQG-UHFFFAOYSA-N 369.812 1.994 0 40 FDAB Cc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n2ncnc2n1 1775974801 QNSSHMAMTCJLNS-UHFFFAOYSA-N 373.424 1.611 0 40 FDAB Cc1cc(N2CCN([C@H]3CCCC[C@H]3O)CC2)nc(N2CCOCC2)n1 2298180919 LUNSSDMIFBMDLP-DLBZAZTESA-N 361.490 1.047 0 40 FDAB Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)c1 19234608 WMFLRPNXZXVZDC-MRXNPFEDSA-N 364.453 1.652 0 40 FDAB O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 101448963 JJCSKAXFNIOCSI-WKRCXCSHSA-N 361.401 1.684 0 40 FDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@@H](c1ccccc1)N1CCOCC1 102224721 CMOKGAZAWQMAAN-VPAKFMSCSA-N 352.434 1.867 0 40 FDAB COC(=O)C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 40037429 YWAYRPXSKRWZKE-MRXNPFEDSA-N 368.393 1.861 0 40 FDAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 20677917 LNVRBOWGWFUEND-NSHDSACASA-N 366.361 1.643 0 40 FDAB Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1C 102129171 KKCVMRZNFSEJPZ-GASCZTMLSA-N 372.421 1.709 0 40 FDAB Cc1ccccc1CN1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 42058538 VTCOXPXTALUVJK-MRXNPFEDSA-N 358.442 1.018 0 40 FDAB O=C1COc2cc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc2N1 42233520 DUFFMEVVLYTBOS-UHFFFAOYSA-N 366.782 1.790 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NC[C@H]1CCCO1 54919166 WYPOPZLVFIUMCF-ZIAGYGMSSA-N 374.441 1.571 0 40 FDAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 1862266 BDWHAGWDKYBQAR-UHFFFAOYSA-N 350.352 1.909 0 40 FDAB COc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c(OC)c1 25250014 LQQUISOUWNTOFW-UHFFFAOYSA-N 350.396 1.745 0 40 FDAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21 4984798 CZXXKSWRJRHNSU-AWEZNQCLSA-N 351.406 1.810 0 40 FDAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 6138651 JSZYHIYHHJBAGL-UHFFFAOYSA-N 354.472 1.931 0 40 FDAB Cc1ccc2nc(CNS(=O)(=O)c3cccc(-n4cnnn4)c3)cn2c1 58210930 LHQRIMNZEJANPR-UHFFFAOYSA-N 369.410 1.097 0 40 FDAB Cc1ccc([C@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)N(C)C)cc1 58264605 MRMRMWUUXVXFFZ-HOTGVXAUSA-N 370.540 1.634 0 40 FDAB O=C(NC[C@H](O)c1ccccc1)c1c(-n2cnnn2)sc2c1CCC2 36354180 ZABCYEKFSJNSCM-ZDUSSCGKSA-N 355.423 1.676 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(F)cc1 36391755 KJFAVYLMHGCZHQ-UHFFFAOYSA-N 355.413 1.900 0 40 FDAB C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)N1CCCC1 12550000 UTJNCHLBGNQKGK-HNNXBMFYSA-N 360.458 1.380 0 40 FDAB Cc1c(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)cnn1C 36614670 KITWKYJOVWMRIR-MRXNPFEDSA-N 364.471 1.080 0 40 FDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC(C(=O)OC)CC2)n1 11443294 CNEWYXLWOYBMOL-UHFFFAOYSA-N 353.444 1.226 0 40 FDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 2504211 SPRBOMJBDPWGTM-CQSZACIVSA-N 368.271 1.415 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=S)N[C@@]1(O)C(F)(F)F 11859281 NYBXAAGEGZOEGZ-WDMOLILDSA-N 362.373 1.944 0 40 FDAB Cc1cc(C)n(CCCNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1 48237462 YSUFUCLIFWFSFU-HNNXBMFYSA-N 356.426 1.820 0 40 FDAB C[C@@H](CCc1ccco1)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 12885832 IMEGSOIQIOWIRN-ZDUSSCGKSA-N 355.394 1.810 0 40 FDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NC1CCCC1)C2=O 3457952 RAYADUKVWNRNGR-UHFFFAOYSA-N 350.419 1.256 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1cnc2sccc2c1=O 19351809 GRSMIBGSAZJPNA-UHFFFAOYSA-N 359.407 1.662 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccc(OC)c1 4039342 JHKZXOLSVSSHII-LUXYFRNMSA-N 350.367 1.081 0 40 FDAB CCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1OC 9116263 LIVQEOWSUAQBMT-UHFFFAOYSA-N 350.396 1.994 0 40 FDAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 5355853 LXUQBIGOTZIWCH-GFCCVEGCSA-N 362.407 1.003 0 40 FDAB CN(C)c1nc(N)nc(CSCC(=O)N2CCCc3ccccc32)n1 9337748 XSTVBGZOALAGPG-UHFFFAOYSA-N 358.471 1.732 0 40 FDAB CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12 9602338 MSNQCLKGUQVLHN-CQSZACIVSA-N 359.382 1.664 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)NC2CCC(C)CC2)c(=O)c1=O 67256518 QPDGBTUWKFPNDS-UHFFFAOYSA-N 371.437 1.703 0 40 FDAB CCCn1c(S[C@H](C)C(=O)NCCc2ccc(OC)cc2)n[nH]c1=O 7364871 LEKKKXOBCLHMKF-GFCCVEGCSA-N 364.471 1.830 0 40 FDAB Nc1nc(COC(=O)CN2CCCCCC2=O)nc(Nc2ccccc2)n1 7372654 QCWASVOWEGBTKZ-UHFFFAOYSA-N 370.413 1.643 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)Nn2cnc3ccccc3c2=O)c1C 17848544 AEZVTRURRXYPNU-UHFFFAOYSA-N 354.366 1.902 0 40 FDAB Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1 18193628 AKALBPHQBCHWSO-UHFFFAOYSA-N 370.822 1.410 0 40 FDAB CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 97015560 JOKNQVVZWUMNLY-OAHLLOKOSA-N 350.444 1.776 0 40 FDAB Cc1sc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)c1C 72304856 GGCNNELDXQOAMK-OAHLLOKOSA-N 365.499 1.935 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccccc1Cl 72400904 CFGPRAGSTIXGMC-UHFFFAOYSA-N 374.832 1.600 0 40 FDAB CC[C@@H](O)CN1CCC(NC(=O)Nc2ccc(OCCOC)nc2)CC1 95443119 HUKACVRUQBGWAN-MRXNPFEDSA-N 366.462 1.464 0 40 FDAB CCCCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2C(=O)O)CC1 95424200 AZPJAJMBUGTUQA-CQSZACIVSA-N 360.476 1.294 0 40 FDAB O=C(COc1cccc(C(F)(F)F)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 89780688 QQTFNKWFKILMST-HUUCEWRRSA-N 358.360 1.752 0 40 FDAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(C(=O)C3CC3)C[C@@H]1C2 306143508 YEIDMJBEEACKOJ-STQMWFEESA-N 369.400 1.710 0 40 FDAB COc1cc(N2Cc3ccnn3C[C@H](OCc3cccnc3)C2)ncn1 306127300 FUOQENRASFIOBE-MRXNPFEDSA-N 352.398 1.682 0 40 FDAB Cn1nc(CCNC(=O)N2CCC[C@H](n3cncn3)C2)c2ccccc21 185868187 OHQPRZFGLKYTGO-AWEZNQCLSA-N 353.430 1.754 0 40 FDAB COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CCCn3ncnc31)CC2 563959545 IOZOBTQAMVOHRA-HNNXBMFYSA-N 371.441 1.305 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(O)c1 72400316 CHZDZQACNCCPTM-UHFFFAOYSA-N 354.410 1.863 0 40 FDAB COc1ccnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 292600161 BYXWHUCERVMOFF-UHFFFAOYSA-N 352.402 1.286 0 40 FDAB CC(C)CC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 96147013 CAJCKGWMHNXGMD-UHFFFAOYSA-N 351.472 1.589 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(F)c3)C[C@H]1O2 96253095 HTKGXYGCIIYQOK-IXDOHACOSA-N 361.417 1.793 0 40 FDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)Cc2ccsc2)CC3)cn1 96199813 JOUPPYKGXSKBSU-HNNXBMFYSA-N 358.467 1.689 0 40 FDAB COCCn1nnc2ccc(NC(=O)CCCn3cccn3)cc2c1=O 96230855 MDOGTNJLNUPFEG-UHFFFAOYSA-N 356.386 1.053 0 40 FDAB CNC(=O)c1cccc(CNC(=O)c2ccc(CN3CCOCC3)cn2)c1 580380927 FMLZFURGEJVFJI-UHFFFAOYSA-N 368.437 1.203 0 40 FDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 96253292 VFSXTGWEDCDZGR-HSALFYBXSA-N 367.449 1.996 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 248287664 GOQAODGEMIJTDA-XUWXXGDYSA-N 362.382 1.448 0 40 FDAB C[C@@]1(O)CCN(Cc2ncccc2F)C[C@H]1n1cnc2c(N)ncnc21 257221672 DQBCAZXESRVHIW-CXAGYDPISA-N 357.393 1.141 0 40 FDAB CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3ccncc3)C2)ncn1 257258088 KSJFFPGVYXSWII-IBGZPJMESA-N 354.458 1.861 0 40 FDAB Cn1c(NC(=O)CCN2CCCS2(=O)=O)nc2cccc(Cl)c21 274283745 BZYFBLOHAGBKRQ-UHFFFAOYSA-N 356.835 1.591 0 40 FDAB Cc1nnc(COC2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)o1 644211771 DQNPFGYCTBBFMA-KRWDZBQOSA-N 356.426 1.770 0 40 FDAB Cc1cc(=NC(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cnn(C)c2C)cc[nH]1 668634625 AMZGVISMZCPOJF-YJBOKZPZSA-N 353.426 1.545 0 40 FDAB O=C(Nc1ccn(Cc2ccncc2)n1)N1CC[C@@H](N2CCCC2=O)C1 683029503 NPIGQQZBUUDXOE-OAHLLOKOSA-N 354.414 1.555 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 36594774 QOGPHNDDALQCOS-MRXNPFEDSA-N 366.377 1.724 0 40 FDAB biogenic COC(=O)c1ccc(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2)cc1 96123282 ZLPVTHXQSPZORE-CYBMUJFWSA-N 351.384 1.432 0 40 FDAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105259 UERHOYVDPBRCQI-CQSZACIVSA-N 364.413 1.616 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCn2nc(C3CC3)cc2C1 390831718 UJEQXCQEOALCTK-UHFFFAOYSA-N 359.451 1.967 0 40 FDAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4cnccn4)C[C@@H]23)n1 575404149 ABFHPHGQAKLEMC-IEZWGBDMSA-N 368.437 1.874 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 585110733 KXEFROKSRZOPDE-SFHVURJKSA-N 361.373 1.848 0 40 FDAB O=S(=O)(NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn21)C1CC1 585113058 YCIKBJSOHVVUFZ-QGZVFWFLSA-N 360.483 1.564 0 40 FDAB Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O 585097486 MHFIZXBVZGHVIC-AWEZNQCLSA-N 357.414 1.525 0 40 FDAB CC(=O)N1CCC(N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585269057 JEHGLYOKKZXVQT-IBGZPJMESA-N 366.433 1.279 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1C(=O)O 580837205 OJPWFNTUGCBAOL-KCPJHIHWSA-N 369.439 1.875 0 40 FDAB Cc1nc(C)n(CCC(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 585283724 CYYHLDIIRLKAON-SZVBFZGTSA-N 358.442 1.620 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cc4ccccc4)CC3)c2n1 72335670 QPWNTZXZHRROAN-UHFFFAOYSA-N 352.398 1.642 0 40 FDAB O[C@@H]1CCOC2(CCN(c3nnnn3Cc3ccc4occc4c3)CC2)C1 1262462889 YRUMSICKJSKZII-MRXNPFEDSA-N 369.425 1.978 0 40 FDAB C/C(NCCN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 1294299 RFNKBYMMBFUDCE-JQIJEIRASA-N 356.426 1.619 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(F)cc2)NC(=O)N[C@H]1C 5633856 UMCCJWWVBJLYEM-JTQLQIEISA-N 350.346 1.430 0 40 FDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(c2ccccc2)CC1 13151337 VOPIISMAKDLPFW-IAGOWNOFSA-N 355.438 1.510 0 40 FDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1ccc(F)cc1 13669699 GCAGEOHDHZZLKM-UHFFFAOYSA-N 371.478 1.584 0 40 FDAB COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16576536 RXUFPCHRGFXKTL-CYBMUJFWSA-N 350.440 1.611 0 40 FDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 16687969 UPHIFJANWTWRLA-UHFFFAOYSA-N 356.488 1.775 0 40 FDAB CCc1cc2c(=O)n(CC(=O)N[C@@H](C)c3cn(C)nc3C)cnc2s1 19665625 BKSJRWJUOYFFGE-JTQLQIEISA-N 359.455 1.940 0 40 FDAB COCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1C 547905203 FWABNNMYKYSBJJ-CQSZACIVSA-N 357.428 1.648 0 40 FDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)c1F 575413921 RKIKUOZWEFOIDY-LLVKDONJSA-N 361.377 1.451 0 40 FDAB CN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1=O 36397421 LVAYQQGOGYPPNF-LLVKDONJSA-N 353.444 1.180 0 40 FDAB CN1C[C@@H](CN2CCC(Oc3ncc(Br)cn3)CC2)CC1=O 1888834376 WXFDCPHBKOQKGI-NSHDSACASA-N 369.263 1.561 0 40 FDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888843848 JCGXLKQHDDZYSW-AOOOYVTPSA-N 362.377 1.356 0 40 FDAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)CN3CCOC3=O)C2)nn1 1888849777 JPIYOEZANXGWOR-ZDUSSCGKSA-N 362.430 1.454 0 40 FDAB COc1ccnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)n1 1889096866 JGMHRMJPDCAQSC-UHFFFAOYSA-N 355.446 1.510 0 40 FDAB O=C([C@H]1CN(Cc2csc(-c3ccccc3)n2)CCO1)N1CCOCC1 1889139879 WGVDWADPTJBSKP-QGZVFWFLSA-N 373.478 1.870 0 40 FDAB Cn1cnc(C(=O)N2CCC(Oc3ncc(-c4cnn(C)c4)cn3)CC2)c1 1889202456 HQMUXFQRGZBHAP-UHFFFAOYSA-N 367.413 1.294 0 40 FDAB Cc1ccc(CN2CCOC3(CCN(C(=O)c4ncn(C)n4)CC3)C2)cc1 1565554014 JBEBVYBSYJHKAM-UHFFFAOYSA-N 369.469 1.631 0 40 FDAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-n1cnnn1 1423897 HYXIQKIVVDTXKY-UHFFFAOYSA-N 357.395 1.422 0 40 FDAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCCOC(C)C 7458532 WWFTXZCZJCEFKP-UHFFFAOYSA-N 363.389 1.925 0 40 FDAB Cc1cccc(NCCn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 9763903 JJNJOUNBNVLUQR-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB CSc1nnc(-c2cn(C)nn2)n1-c1ccc(C(=O)NCC2CC2)cc1 1775968923 ZFGPMFSFEJRNKF-UHFFFAOYSA-N 369.454 1.925 0 40 FDAB O=C1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCN1c1ncc(F)cn1 1775966219 URRMUIFVWAKXOY-UHFFFAOYSA-N 358.348 1.662 0 40 FDAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCOc1ccccc1 23115326 RZQHFGMKGTYUQG-UHFFFAOYSA-N 357.414 1.335 0 40 FDAB Cn1cc(-c2cncc(CNC(=O)Cn3cnc4ccccc4c3=O)c2)cn1 575414818 WWKWEIGVXSGDLE-UHFFFAOYSA-N 374.404 1.508 0 40 FDAB CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](Oc3ccncn3)C2)c1 575609871 RFSSEOLNNBRQPA-CYBMUJFWSA-N 351.432 1.486 0 40 FDAB CSc1ccccc1NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575610204 UPFUSNQMWGVMMD-UHFFFAOYSA-N 367.438 1.854 0 40 FDAB Cc1ccc(Cn2c(SC[C@@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 850088 XDUOUNVZBMSINZ-LLVKDONJSA-N 360.439 1.253 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)N1 30036472 RMODPFBRBFAWTM-UHFFFAOYSA-N 374.784 1.809 0 40 FDAB COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2C1=O 31814260 HINXJZASYCUNAN-UHFFFAOYSA-N 372.406 1.910 0 40 FDAB O=C(CCNS(=O)(=O)c1cccs1)NCCc1cccc(F)c1 32745064 LZJBIDIKPDTPBR-UHFFFAOYSA-N 356.444 1.915 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 32814343 KQDNRIWYXWOIPC-UHFFFAOYSA-N 361.354 1.817 0 40 FDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCN(C(=O)C2CC2)CC1 32902492 XJMATRRDNYSNQO-INIZCTEOSA-N 355.438 1.658 0 40 FDAB CC(=O)Nc1ccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 32923841 AQBZHGGCMRPACB-OAHLLOKOSA-N 355.394 1.738 0 40 FDAB CCOCc1ccccc1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 42483597 VLUQYXWXZPWIKP-OAHLLOKOSA-N 357.497 1.760 0 40 FDAB CN(C(=O)Cc1n[nH]c(N)n1)C1(C(=O)Nc2ccccc2)CCCCC1 1087945 FJCJKXZXULLGTK-UHFFFAOYSA-N 356.430 1.729 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 1033484 DJQAMTGJAUEJDP-JTQLQIEISA-N 355.441 1.655 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCN1C(=O)NC(C)(C)C1=O 24870026 WROPPXGCPMAGRY-RYUDHWBXSA-N 353.419 1.040 0 40 FDAB COc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 1342013 VHVKFCHSKITBER-UHFFFAOYSA-N 359.411 1.458 0 40 FDAB COc1cc(NC(=O)[C@H](C)NC(=O)[C@H](N)CCCCN)cc2ccccc12 1578626 NVFAVOGMBNAYET-SUMWQHHRSA-N 372.469 1.748 0 40 FDAB COCCN(CCOC)c1ncnc2c1cnn2-c1ccc(OC)cc1 3912233 VCOYZMCPUWDVJM-UHFFFAOYSA-N 357.414 1.923 0 40 FDAB C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccco1 25460254 GZUISNPUCUIKCH-NSHDSACASA-N 370.452 1.853 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCc2ccccc21 12544007 PARVTCQHMLSUHJ-UHFFFAOYSA-N 371.462 1.676 0 40 FDAB CC(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1 8315348 OEUOYMQWRHDGQD-UHFFFAOYSA-N 361.423 1.952 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@H](Cc1ccccc1)C(=O)O 8517536 XRTRKJPGAGGYEC-QGZVFWFLSA-N 365.389 1.599 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCc1ccnc(OC2CCCCC2)c1 58245113 CVOLNBYQGZYOMA-UHFFFAOYSA-N 359.426 1.948 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCCN2c3ccccc3CC[C@@H]2C)C[C@@H](C)O1 36395328 CWNYWLIYAACUMR-HRCADAONSA-N 367.515 1.771 0 40 FDAB CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 11047421 QSPTVVTXELJKDF-UHFFFAOYSA-N 368.459 1.071 0 40 FDAB CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 100778872 TUWPUOCSWFVTOY-LXTVHRRPSA-N 355.479 1.118 0 40 FDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCC(=O)NCc2ccccc2)cc1 50030978 LWSUEKDQKFIFRV-UHFFFAOYSA-N 364.405 1.520 0 40 FDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2cccc(F)c2F)C1 60357330 WREGTDIOQWZHKJ-JTQLQIEISA-N 351.396 1.305 0 40 FDAB O=C(NN1CCOCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 2657112 UKGIIIRSTGLXPM-UHFFFAOYSA-N 372.402 1.041 0 40 FDAB CC(=O)N1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CC1 2663313 RWTUAIIRHCOLAO-QGZVFWFLSA-N 371.437 1.388 0 40 FDAB Cc1cc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)no1 67300172 FPMCMLDSDGAMML-UHFFFAOYSA-N 368.393 1.689 0 40 FDAB NC(=O)c1c(NC(=O)c2cccc(-n3cnnn3)c2)sc2c1CCCC2 3333545 XDMPXOSTDARZHS-UHFFFAOYSA-N 368.422 1.954 0 40 FDAB Cc1nn2c(nnc3c(O)nc(N4CCOCC4)nc32)c1-c1ccccc1 22607278 AMNOUBVVEAEHTF-UHFFFAOYSA-N 363.381 1.585 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O 3353027 TWZXLYSVNPVOJI-HXPMCKFVSA-N 373.409 1.532 0 40 FDAB COC(=O)c1ccc(-n2ncc(NCCNC(C)=O)c(Cl)c2=O)cc1 48314367 KRZPCGJLFCKRKA-UHFFFAOYSA-N 364.789 1.221 0 40 FDAB CC(C)NC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 3408275 WVCODVZDLJEHOR-UHFFFAOYSA-N 356.308 1.593 0 40 FDAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)C1=COCCO1 3536375 NQGJWYAMPLQOOT-UHFFFAOYSA-N 367.155 1.388 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)cc1 9378632 XIBIKKJYXNLBPV-UHFFFAOYSA-N 357.395 1.974 0 40 FDAB COc1cc2c(cc1-c1nnc(SCC(N)=O)n1C)OCCCO2 64986920 KABNRPLUCCQCPL-UHFFFAOYSA-N 350.400 1.229 0 40 FDAB CCOC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1CCCO1)n2C 13730269 AIXMNINPYHIROQ-OAHLLOKOSA-N 360.414 1.979 0 40 FDAB COCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940493 XLNAKKWAOXOMDQ-SECBINFHSA-N 369.270 1.911 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCCCC2)cc1 6109649 KWMNTGODAASIRV-UHFFFAOYSA-N 362.426 1.807 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C1=O 9451037 VWPRAWQICBUMEC-BCTVWOGZSA-N 362.411 1.485 0 40 FDAB Nc1nonc1C(=O)NCCNCc1ccc(OCc2ccccc2)cc1 5241876 LPIFPWRLTPNYBV-UHFFFAOYSA-N 367.409 1.750 0 40 FDAB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 5246616 JILKVCSPUMHZIH-UHFFFAOYSA-N 372.425 1.452 0 40 FDAB O=C(NCCc1ccncc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95477071 IUWDVTQGQZLDFU-ZDUSSCGKSA-N 367.384 1.809 0 40 FDAB COC(=O)c1cncc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1 95451465 WYYCKHSHGNEQNM-UHFFFAOYSA-N 363.395 1.800 0 40 FDAB COc1cc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc(OC)c1OC 14064656 RCBIIMKZYNUAQW-UHFFFAOYSA-N 366.399 1.425 0 40 FDAB CCC(CC)NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C 14188328 LGRQRYJHNDYNEM-SNVBAGLBSA-N 360.505 1.114 0 40 FDAB C[C@@H]1CN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCO1 14161886 BWTDXGDGILKMJM-XUXNNNHQSA-N 361.442 1.424 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H]3CCOC3=O)CC2)cc1 6607149 STIXSRYANYSIJW-OAHLLOKOSA-N 367.423 1.254 0 40 FDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Nc3cccnc3)CC2)C1 66594661 CTSNUFZSZWSDAG-JKSUJKDBSA-N 359.474 1.926 0 40 FDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 6879497 LITGEZBJCZDLHA-UHFFFAOYSA-N 360.391 1.454 0 40 FDAB CCc1cc2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)ncnc2s1 6870911 VVUKXAOGSLYCLV-VIFPVBQESA-N 371.509 1.649 0 40 FDAB COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 5853193 XJCSNIFKGXSDGN-UHFFFAOYSA-N 361.373 1.592 0 40 FDAB in-vitro COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 8476129 JVMFOOWHNUBSSC-AWEZNQCLSA-N 368.455 1.389 0 40 FDAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)s1 8777685 QUJDSHBGBWGGNT-SSDOTTSWSA-N 374.382 1.557 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2)n1 8711353 MLECJNOEAQBEOF-HNNXBMFYSA-N 357.410 1.893 0 40 FDAB COc1ccccc1CNC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 8856408 JQUKREWVBCXMMN-UHFFFAOYSA-N 368.393 1.480 0 40 FDAB CNC[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 71144899 GSHZELWAQCTKQL-SNVBAGLBSA-N 363.277 1.688 0 40 FDAB COc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1Cl 408619792 HLYOXERVMLBORA-UHFFFAOYSA-N 368.850 2.118 0 40 FDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC1CCCC1 72326027 DKNVPZRDVDITLO-HXUWFJFHSA-N 371.437 1.576 0 40 FDAB Cc1nc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(C)C3=O)C2)cs1 306142786 XJWSOVUNXMPSLB-SCLBCKFNSA-N 373.482 1.663 0 40 FDAB CC(C)NC(=O)N1CC[C@]2(C1)CN(C(C)C)Cc1cnc(N(C)C)nc12 306145166 ZZVJYBVSEQBMEB-IBGZPJMESA-N 360.506 1.828 0 40 FDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980231 QHNZEKQYNQUFFL-CQSZACIVSA-N 354.353 1.702 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217554962 DJAXZMCXOYJYEZ-LBPRGKRZSA-N 356.444 1.910 0 40 FDAB C[C@H]1CN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C[C@@H](C)N1CCO 571021320 RJBAWCORPXHSFB-CLHCLYRXSA-N 350.381 1.256 0 40 FDAB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 226628232 NWIQAZVQQALPMD-GUYJKWIASA-N 353.296 1.901 0 40 FDAB NC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)nc1 132502928 INBLHLRFGXAPSZ-UHFFFAOYSA-N 352.394 1.233 0 40 FDAB N[C@@H]1CCc2ncc(NC(=O)N3CCNC(=O)[C@H]3c3ccccc3)cc2C1 333294143 JQMYSBVNWIQALB-CRAIPNDOSA-N 365.437 1.603 0 40 FDAB COc1ccc(N2CCC(C(=O)N=c3[nH]c4ccccc4[nH]3)CC2)nn1 95474429 VNNYNADQWVQXGB-UHFFFAOYSA-N 352.398 1.639 0 40 FDAB CC(=O)Nc1cc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)ccc1C 579346424 VFRMWXSQAORYMT-SFHVURJKSA-N 372.469 1.378 0 40 FDAB COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCCCC1 98063888 RPSYAUPMUXVADA-LSDHHAIUSA-N 373.453 1.853 0 40 FDAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(c1ncccn1)CC2 96230137 JLJDAJFOYAYBSA-UHFFFAOYSA-N 352.442 1.185 0 40 FDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@H]1O2 96100680 MBXPDUYQIKCINJ-FGTMMUONSA-N 357.454 1.697 0 40 FDAB Cc1cncc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(C)CC2)CO3)c1 96220830 ITCRLYPLZZWFMW-SFHVURJKSA-N 358.486 1.401 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 243533368 OESBKRBGVAEFAT-OAHLLOKOSA-N 374.528 1.043 0 40 FDAB CCCCS(=O)(=O)N1CC[C@@H](CNc2nc(C)nc3c2cnn3C)C1 585080329 MKXUNXOROGKXGR-ZDUSSCGKSA-N 366.491 1.535 0 40 FDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ccccn1 257203261 APGIHWPGPAIENS-ZRNYENFQSA-N 367.449 1.857 0 40 FDAB Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)cn1 257366559 QJJCPNQWNDMKIL-MPGHIAIKSA-N 354.458 1.433 0 40 FDAB Cc1cccnc1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O 257274981 NNMMNZTXGXKSTR-JOCBIADPSA-N 360.385 1.591 0 40 FDAB CN(C)CC(=O)N1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257218085 DBUZAPIDDQXGAP-GOSISDBHSA-N 368.437 1.309 0 40 FDAB COCc1c(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)noc1C 257212427 CDKAAENVCBBMKL-HNNXBMFYSA-N 359.430 1.958 0 40 FDAB c1cc(-c2nnc3ccc(=NCc4cn([C@H]5CCNC5)nn4)[nH]n23)cs1 630542785 OXIXWIWIEONAOR-ZDUSSCGKSA-N 367.442 1.013 0 40 FDAB COc1cccc(C[C@@H]2CCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)c1 643388043 XUWRUTKPAFIYNM-CVEARBPZSA-N 370.457 1.803 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 644038881 UVFBQXWMHJKAPM-IBGZPJMESA-N 356.426 1.190 0 40 FDAB O=C(O)[C@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1 666534323 NOVBVMHOFQSGNG-OAHLLOKOSA-N 358.398 1.121 0 40 FDAB Cn1cnc([C@@H]2CN(Cc3noc(C4CCC4)n3)C[C@H]2C(=O)NC2CC2)c1 1614995998 SRJCGOMRIALXIM-HUUCEWRRSA-N 370.457 1.565 0 40 FDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](CCSC)NC(N)=O)C1 599357593 UDYQDFCMJSDSEU-OLZOCXBDSA-N 353.492 1.399 0 40 FDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C)cc2)CCO1 643846481 RAVIJSPVCLMVOG-KSZLIROESA-N 374.437 1.259 0 40 FDAB Cc1cccc(C[C@]2(CO)CN(CC(=O)Nc3ccccn3)CCO2)c1 585277106 JZFRYJVSYWGBKA-HXUWFJFHSA-N 355.438 1.635 0 40 FDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cc(C3CC3)on1)CC2 585096396 LUQCPCGGSXCDMH-LLVKDONJSA-N 373.413 1.342 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)CSCc2ccccc2)CC1 43979949 NCRICOBPJAXBNU-UHFFFAOYSA-N 356.513 1.708 0 40 FDAB NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C[C@@H]1CCCO1 102334205 UTTGRDRBTDEFRF-CQINNJSPSA-N 357.439 1.645 0 40 FDAB Cn1cc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cn1 1615160364 ZQHOLUXIFXVJEK-IBGZPJMESA-N 372.400 1.597 0 40 FDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 14728863 VPWXWIDZZQAETH-UHFFFAOYSA-N 351.338 1.956 0 40 FDAB Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)nc(N2CCOCC2)n1 19660380 UGKWHYLFOAEELY-HNNXBMFYSA-N 354.410 1.875 0 40 FDAB CCCN1C[C@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1=O 19746159 RWMQNNVEMXJVCM-CYBMUJFWSA-N 361.446 1.139 0 40 FDAB CS[C@H](C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 600315952 XSVCLZXWVNLPQW-HNNXBMFYSA-N 359.455 1.645 0 40 FDAB C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@@]312 4090880 FJCQSIDXADHVFH-FEUSSREZSA-N 360.450 1.942 0 40 FDAB biogenic,in-vitro C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 230126251 RJTCRJOZAZYLME-CHWSQXEVSA-N 365.455 1.088 0 40 FDAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc(Cl)c1F 647928404 LBSHRTYHQUCFQQ-ZDUSSCGKSA-N 351.783 1.733 0 40 FDAB CO[C@](C)(C(=O)O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 663130547 JVGOCZPYECOCHO-HNNXBMFYSA-N 371.231 1.587 0 40 FDAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 3459887 PVNMAYVVQHZYMX-UHFFFAOYSA-N 359.260 1.334 0 40 FDAB COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)c(F)c(O)n3)C[C@H]2C1 1888876163 UJZDQVIAYCQDKR-CHWSQXEVSA-N 372.400 1.847 0 40 FDAB Cc1nc(N2CCN(c3ncnc(C4CC4)c3F)CC2)c2cnn(C)c2n1 1888876352 MKWCEUNNUFTWOZ-UHFFFAOYSA-N 368.420 1.805 0 40 FDAB Fc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889108941 KLZJLVWBNTUXJB-UHFFFAOYSA-N 357.433 1.775 0 40 FDAB CCOC(=O)N1CCN(CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)CC1 16078402 VCWPSXVWILSOPS-HNNXBMFYSA-N 374.441 1.884 0 40 FDAB CN1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cn2)CC1 24259721 GLCFNAOSASACGJ-UHFFFAOYSA-N 369.425 1.884 0 40 FDAB Cc1cc(N2CCO[C@H]3CN(C(=O)c4ncc(F)cc4F)C[C@@H]32)ccn1 2056225026 VLZWVEUFACNWTE-HOTGVXAUSA-N 360.364 1.793 0 40 FDAB O=C1C[C@@]2(COCCN(Cc3ccncc3)C2)CN1Cc1cncs1 1615835456 XQKOECHFKFNEKP-SFHVURJKSA-N 358.467 1.789 0 40 FDAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)o1 1614927266 FLAXACQWFKTZMM-MRXNPFEDSA-N 352.410 1.716 0 40 FDAB O=C(c1cnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2)N1CCCC1 1565545839 QKODSRVBHMOBTJ-UHFFFAOYSA-N 352.385 1.897 0 40 FDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)CCc4cncnc4)C[C@@H]32)o1 1565548713 IULNKVXHVXXGJT-BZUAXINKSA-N 357.414 1.522 0 40 FDAB COc1cnccc1C(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C1 1565556696 RHYQRYCSDGLFNF-UHFFFAOYSA-N 350.382 1.479 0 40 FDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCc3ccccc3)n12 4250207 MOSJWLRKABKGCI-UHFFFAOYSA-N 357.439 1.779 0 40 FDAB CCOc1ccccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4370528 KNCWHFGVPGQGCA-UHFFFAOYSA-N 367.409 1.691 0 40 FDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@@H]2C1 2055715925 MIMNRALOOFHXKK-HEHGZKQESA-N 365.455 1.239 0 40 FDAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]21 2055750969 SRTOWDNECYBVDT-QZTJIDSGSA-N 358.442 1.664 0 40 FDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2cc(F)cc(F)c2)nn1 2069678853 APKVOUPOYPJSAR-CQSZACIVSA-N 363.324 1.737 0 40 FDAB C[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@@](CO)(CCO)O2 17122790 XYPPDQHBNJURHU-KWQGSUNZSA-N 356.503 1.855 0 40 FDAB C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 40047448 TUCREPRRHJSWAW-GASCZTMLSA-N 365.518 1.639 0 40 FDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 40154810 DIPUKDHSRDLFLW-GFCCVEGCSA-N 357.366 1.989 0 40 FDAB COC(=O)CN(C(=O)CN1C(=O)COc2ccccc21)c1ccccc1C 40150668 RBGQZIZRFQLAEL-UHFFFAOYSA-N 368.389 1.927 0 40 FDAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cc1F 23990344 JRZSBTZDIGLVML-UHFFFAOYSA-N 366.370 1.749 0 40 FDAB C[C@H](CC(=O)N1CCN(Cc2nccn2C)CC1)NC(=O)C1CCCC1 106028752 PRALZMJAJQEFGR-OAHLLOKOSA-N 361.490 1.149 0 40 FDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 806872 LXDWYJWPEJOBMN-UHFFFAOYSA-N 356.444 1.241 0 40 FDAB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)N1CCC(C)CC1 24835535 YVGYYFLKPZRKMH-UHFFFAOYSA-N 355.460 1.508 0 40 FDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1 106531243 DFESHQFESHDDKM-YGRLFVJLSA-N 362.398 1.888 0 40 FDAB Cc1cc2oc(=O)cc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2cc1C 4829833 RDCLDRPQANDDNC-UHFFFAOYSA-N 366.377 1.205 0 40 FDAB NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2c2cccnc2)c1 74816490 CTKMDXOXGZQXTB-KRWDZBQOSA-N 354.410 1.992 0 40 FDAB COc1cc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1Cl 6730183 POZZNRSKEPZBQL-QOBDMFJFSA-N 353.758 1.950 0 40 FDAB Cc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8026762 JYNFQYHTSOECRH-UHFFFAOYSA-N 367.402 1.577 0 40 FDAB CCn1c(SCc2nc(N)nc(N(C)C)n2)nc2ccsc2c1=O 23053656 ZNWMEJLKPAHCJW-UHFFFAOYSA-N 363.472 1.603 0 40 FDAB Cn1c(=O)n(CC(=O)Nc2ccnn2C[C@@H]2CCOC2)c2ccccc21 58280808 COUIEMJNLPVYDP-ZDUSSCGKSA-N 355.398 1.212 0 40 FDAB C[C@@H](CN(C)C)Sc1nc2ccccc2c(=O)n1O[C@H](C)CN(C)C 2409304 AKYMJUSVGAWJBS-KGLIPLIRSA-N 364.515 1.817 0 40 FDAB Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3cccnc3)C2=O)n(C)n1 173567946 YUXBKFNWQXZKGY-OAHLLOKOSA-N 356.430 1.461 0 40 FDAB CC(C)(C(=O)N1CCN(C(=O)CN2CCCC2=O)CC1)c1ccccc1 29372493 PQLZQZNJMKQNLC-UHFFFAOYSA-N 357.454 1.257 0 40 FDAB COCCNC(=O)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 11998575 JVYSCJGRHORZOB-CQSZACIVSA-N 363.439 1.286 0 40 FDAB CN(C)CCNC(=O)Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1 76021999 NRKJDAONBUNXAA-UHFFFAOYSA-N 355.442 1.231 0 40 FDAB O=C(Nc1cccnc1-n1cccn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 48196352 XMBRUAWMRXUXCR-OAHLLOKOSA-N 370.413 1.122 0 40 FDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 3348735 RZZMJGOZHPDAIJ-UHFFFAOYSA-N 357.318 1.617 0 40 FDAB COc1ccc([C@@H]2CCCN2C[C@@H](O)CN2CCOCC2)c(OC)c1 25301347 JWMHKTRBDKPMFD-YJBOKZPZSA-N 350.459 1.534 0 40 FDAB O=C1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c2ccccc2N1 3359572 CJSOWUHHUNMEIV-UHFFFAOYSA-N 351.284 1.852 0 40 FDAB COCCn1nc(C(=O)NCc2ccc(Br)s2)ccc1=O 25474036 TTXFAFFRVYYRTD-UHFFFAOYSA-N 372.244 1.644 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 13254830 KYJGWJJBPQMDCH-KBPBESRZSA-N 366.439 1.851 0 40 FDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC(=O)Nc1nccs1 13724304 QONIJEOEWXZULL-UHFFFAOYSA-N 357.395 1.067 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 5273398 XVZSWPNNWBTCNP-UHFFFAOYSA-N 365.389 1.579 0 40 FDAB CCCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 5348477 DDBNPHFKULZTKC-KSVNGYGVSA-N 353.422 1.713 0 40 FDAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1COc2ccccc2O1 14167869 IVDIHBAIFAAIKI-OAHLLOKOSA-N 355.394 1.496 0 40 FDAB COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2nc3nccc(C)n3n2)cc1 95458889 ZWYKPFIGRAGMJP-WFASDCNBSA-N 355.398 1.947 0 40 FDAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)c1 409289248 LTACZUYLQZYWHP-OLMMMNRUSA-N 373.361 1.080 0 40 FDAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCNC1=O 9501819 QEMCCRGJFJXDRQ-BDAKNGLRSA-N 357.461 1.161 0 40 FDAB CC(=O)c1cccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 23390760 BBCLOSBKGHQAHR-UHFFFAOYSA-N 354.409 1.337 0 40 FDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cncc(Br)c1 8038235 VJCCAWGCZNEUJR-CQSZACIVSA-N 360.211 1.897 0 40 FDAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)COc3ccccc3)cc2NC1=O 8014367 VXAJNWZZSQXPGP-LBPRGKRZSA-N 369.377 1.540 0 40 FDAB COc1ccccc1OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 17335656 MYADWUJUDFSUIG-UHFFFAOYSA-N 360.391 1.682 0 40 FDAB O=C(NCc1ccc(Cl)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 8513799 BRAKSGUEUYQUCY-UHFFFAOYSA-N 351.815 1.454 0 40 FDAB CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2cccnc2)cc1 67896762 KJENPTYUUMMOIV-IEBWSBKVSA-N 355.394 1.501 0 40 FDAB biogenic,in-vitro CC[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)CC1 89943364 BLKDLDKMKLSSJL-JKSUJKDBSA-N 356.470 1.950 0 40 FDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCC1CCCCC1 9157230 WMOGXGKDKIOUKZ-UHFFFAOYSA-N 351.472 1.393 0 40 FDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 95943055 KFSADKJHDMVWTQ-MRXNPFEDSA-N 364.467 1.392 0 40 FDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408701102 RJNRPPZIHNJXSY-CQSZACIVSA-N 354.472 1.965 0 40 FDAB Cc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C(=O)N(C)C)C3)n1 306129086 HUCMNDWBYZKOEO-AWEZNQCLSA-N 367.471 1.077 0 40 FDAB CNC(=O)c1cccc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)c1 524733740 LQERAZQLTBRTDA-AWEZNQCLSA-N 356.411 1.712 0 40 FDAB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@@H]1c1ccc(O)c(OC)c1 408730763 IMNLXMKQFGBBHL-CYBMUJFWSA-N 350.331 1.020 0 40 FDAB O=C(NC[C@]1(O)CCCc2occc21)C(=O)Nc1ccc2c(c1)OCCO2 1565523884 ZZKDCZGTJGNRKP-LJQANCHMSA-N 372.377 1.330 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218206601 KNHZHRMPRMFWBY-NTZNESFSSA-N 363.229 1.413 0 40 FDAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1cccc2nccnc12 72324737 QZKFMFHXOVGUIX-ZDUSSCGKSA-N 370.361 1.866 0 40 FDAB biogenic COc1cccc(C(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1OC 75163067 GQHJZCDFUCFXQM-UHFFFAOYSA-N 355.354 1.236 0 40 FDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)N2 40386747 WTTOBIWQETUJTK-VIFPVBQESA-N 364.203 1.946 0 40 FDAB Cc1cc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc12 195070609 JUFCZENSDOYADO-KBPBESRZSA-N 362.451 1.953 0 40 FDAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C(=O)C3CC3)C[C@H]21 514290313 XNMSCKPZMUKGEX-AEFFLSMTSA-N 366.421 1.541 0 40 FDAB biogenic,in-vitro CCCS(=O)(=O)N1CC[C@@]2(CN(c3ccccc3)C(=O)CN2C)C1 96230440 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RSCHFLKSFIMSSL-SFHVURJKSA-N 352.438 1.463 0 40 FDAB Cc1nccn1CC(=O)N1CC[C@H](O)[C@@H](N2CCC(F)(F)CC2)CC1 257276275 NTBOOIQDCXHSQB-GJZGRUSLSA-N 356.417 1.275 0 40 FDAB O=C(c1cc(-c2ccccn2)n[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 257198576 CNZBLUGIDNMYQC-UONOGXRCSA-N 361.405 1.893 0 40 FDAB Cc1cc(C(=O)NC2CCN(c3nc(O)c4cnn(C)c4n3)CC2)c(C)o1 590769634 ZLDKGVRPEXTWTI-UHFFFAOYSA-N 370.413 1.678 0 40 FDAB CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H](C)Oc2cccnc2)CC1 271956318 DILLBDBBPKKMRI-AWEZNQCLSA-N 369.487 1.415 0 40 FDAB CC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCN1Cc1ccccc1 274176605 IZTITACOSRHWOG-QGZVFWFLSA-N 367.515 1.391 0 40 FDAB CCn1nccc1S(=O)(=O)Nc1cc(C(=O)O)cc(OC)c1OC 274386388 BJNWYPFUBQYLGS-UHFFFAOYSA-N 355.372 1.419 0 40 FDAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1(Cc2ccccc2)CCOCC1 616766976 XYQYGYBOQPBCMI-RCCFBDPRSA-N 355.438 1.713 0 40 FDAB COCC(=O)N[C@@H]1[C@H]2CCCN(c3cc(C)nc(COC)n3)[C@@H]2C1(C)C 1615058294 RSZOPVOQFYSFFZ-XWIAVFTESA-N 362.474 1.687 0 40 FDAB Cc1c(Cl)c(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)nn1C 630193590 VJHVWZLPOXBPNM-UHFFFAOYSA-N 351.794 1.754 0 40 FDAB Cc1ccccc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1 630656382 QPUQOZFOHBFBNZ-IAGOWNOFSA-N 356.426 1.809 0 40 FDAB O=C(N[C@@H]1COc2cc(F)cc(F)c21)N1CCC(n2cnnc2O)CC1 664646040 VBEAFZWQQONRIU-GFCCVEGCSA-N 365.340 1.742 0 40 FDAB COc1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 675627823 AVKXNYMUAARRFD-UHFFFAOYSA-N 367.448 1.850 0 40 FDAB COc1ccccc1CC(=O)N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1775957397 SDIANFKEBPIHAK-CABCVRRESA-N 356.426 1.764 0 40 FDAB CCO[C@H](CC)C(=O)N[C@@H](C)CCNC(=O)c1cc(C(N)=O)cs1 1775990029 BYOSSUSUAKZGAI-CMPLNLGQSA-N 355.460 1.287 0 40 FDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096542 RYWBQZGSOGVGCS-UMVBOHGHSA-N 353.426 1.767 0 40 FDAB CN1CCC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H]1Cc1cccc(F)c1 585280385 HFBIDPYYEUJVAP-ROUUACIJSA-N 357.429 1.960 0 40 FDAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)c3ccccc3)C[C@H]12 585109213 ZZLRDQCMANSPFM-JKSUJKDBSA-N 350.378 1.225 0 40 FDAB COCCCCNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 47200012 FMZPOUHDSSEKHR-UHFFFAOYSA-N 356.488 1.823 0 40 FDAB COC1=Cc2c(nc3n(c2=O)[C@H](C(C)C)C(=O)N[C@@]3(O)C(C)C)OC=C1 1772591260 OZCWRYRBOZETGX-FZKQIMNGSA-N 361.398 1.265 0 40 FDAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)CN2CCCC2=O)C1 12364782 GVEGDKGCNHZGDM-MSOLQXFVSA-N 359.470 1.612 0 40 FDAB COc1cccc(-c2noc(COC(=O)CCCN3C(=O)CNC3=O)n2)c1 14197894 WYARYMVVTNUOTP-UHFFFAOYSA-N 374.353 1.120 0 40 FDAB COc1ccccc1NC(=O)[C@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 14607371 CTUILIZNSRXCMB-SNVBAGLBSA-N 362.411 1.056 0 40 FDAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(C)(=O)=O)c(=O)[nH]c12 16994888 VHEUKWRYEJQXTH-HNNXBMFYSA-N 350.440 1.777 0 40 FDAB Cc1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3)c2n1 19240627 HYTINCPAHYQGSW-UHFFFAOYSA-N 353.430 1.322 0 40 FDAB O=C(CN1CCN(c2ccccn2)CC1)N1[C@H]2CC[C@@H]1c1snnc1C2 19402118 MNPKCHSEWINYNS-DZGCQCFKSA-N 370.482 1.344 0 40 FDAB C[C@H](CN1CCOCC1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 19456238 SOWSAFRVLCCCJW-OAHLLOKOSA-N 371.485 1.643 0 40 FDAB CCCN(C[C@@H]1CCCO1)C(=O)c1cnc(N2CCOCC2)nc1CC 19502475 HAOVFSMYIXPNIA-HNNXBMFYSA-N 362.474 1.907 0 40 FDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)C3N2CCOCC2)cn1 19525007 UVZFODHDNVIDNR-FKEKPDDDSA-N 368.503 1.024 0 40 FDAB CN1CCc2nc([C@@H]3CCN(C(=O)COc4ccccc4)C3)ncc2C1 19590604 SLQLKIXDRQKLDU-OAHLLOKOSA-N 352.438 1.859 0 40 FDAB COCCn1nnnc1[C@H](c1ccccn1)N1CCc2ccccc2C1 19594137 AWKXMCDRFDLVKM-SFHVURJKSA-N 350.426 1.862 0 40 FDAB Cn1c(=O)oc2cc(NC(=O)CN3CCC[C@@H]3Cn3cccn3)ccc21 19658927 HNMVRQPFPZWDIR-CQSZACIVSA-N 355.398 1.431 0 40 FDAB CCc1cc2c(=O)n(CC(=O)N[C@@H](C)c3cnn(C)c3C)cnc2s1 19714920 LVQXCKJBRVXPEH-JTQLQIEISA-N 359.455 1.940 0 40 FDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2)C1=O 8336380 ATQNCCYADXPGAM-ZROIWOOFSA-N 364.423 1.803 0 40 FDAB N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)O 101273560 KNEYGOJFOKQPQX-SCZZXKLOSA-N 363.222 1.770 0 40 FDAB N[C@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)O 101273554 WEKRWNXUMVTXMR-APPZFPTMSA-N 363.222 1.770 0 40 FDAB O=C(Cc1cccnc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585974 JWCJGRLRPUGSPW-YVWKXTFCSA-N 356.397 1.909 0 40 FDAB COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)c1 3036030 DUVIKBPOFPVUKT-UHFFFAOYSA-N 362.451 1.988 0 40 FDAB CC(C)c1nc(N2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)nc(O)c1F 1888834136 APDQTAMBFGQJKF-CYBMUJFWSA-N 365.453 1.435 0 40 FDAB Cn1c(=O)c2c(ncn2CCC(=O)OC/C=C/c2ccccc2)n(C)c1=O 16162366 FYJRIWOHUJXQQK-RMKNXTFCSA-N 368.393 1.080 0 40 FDAB COc1ccc([C@H](CC(=O)NCCCN2CCCC2=O)NC(C)=O)cc1 22626840 WLUDWJBCSWIPAP-KRWDZBQOSA-N 361.442 1.391 0 40 FDAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1CC 23991836 NSFOSLPUXFSGRG-CHWSQXEVSA-N 367.446 1.170 0 40 FDAB CCn1cc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 2037840273 LIEZHXOGXSMOKL-UHFFFAOYSA-N 368.437 1.941 0 40 FDAB Cn1c(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc2cccnc21 2087131784 DGJPJNHFJSSVSR-CYBMUJFWSA-N 365.384 1.431 0 40 FDAB COc1ccc(C(=O)N2CCC(COc3ncnc(C)c3C)CC2)nn1 1565519203 HNCZPYUWRRZDNH-UHFFFAOYSA-N 357.414 1.823 0 40 FDAB Cc1ccc(-n2nnc3c(SCC(=O)N4CCOCC4)ncnc32)cc1 4166585 VAJRSDXTFBJJPP-UHFFFAOYSA-N 370.438 1.470 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O 32603286 XYQCSTPSQQNGIA-MGPLVRAMSA-N 374.393 1.979 0 40 FDAB biogenic O=C(c1cc(S(=O)(=O)Nc2nnc3ccccn23)c[nH]1)N1CCCC1 105565383 IEZRIDUATLNUDR-UHFFFAOYSA-N 360.399 1.094 0 40 FDAB O=C1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCN1 40079510 FXALFUYQGAGLAY-ZDUSSCGKSA-N 370.236 1.556 0 40 FDAB O=C(NCc1cccnc1-n1cncn1)c1cnn(Cc2ccccc2)c1 40108970 HVSALQQQAPTMBO-UHFFFAOYSA-N 359.393 1.837 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc2c(c1)OCCO2 40162214 LSVJJNYTDGOMIW-JEOXALJRSA-N 373.409 1.356 0 40 FDAB COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 100152501 CLBFLGWVCDRDMS-CQSZACIVSA-N 360.263 1.433 0 40 FDAB O=C(CNC(=O)c1ccccc1F)NCCN1CCc2ccccc2C1 31338695 XYOOITMOSAYQCZ-UHFFFAOYSA-N 355.413 1.730 0 40 FDAB NC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CCO1 50845572 LKAPHBJKDADEGF-KRWDZBQOSA-N 368.437 1.468 0 40 FDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCc3ccncc3)n2)cc1 20731059 UIKKEWOLNRPVES-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB CC(=O)N1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 23696093 IVXMSYNRZUOXBX-UHFFFAOYSA-N 358.442 1.306 0 40 FDAB C[C@H]1CCCN(C(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)C1 1344615 OSKWRPQGMDJQOX-LBPRGKRZSA-N 370.388 1.375 0 40 FDAB CCOC(=O)c1coc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)n1 79063295 FJZRHLTVKHRSPV-UHFFFAOYSA-N 370.383 1.978 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCN(c2cnccn2)CC1 25343446 LRWPVJJOVFATFP-OAHLLOKOSA-N 363.421 1.640 0 40 FDAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CCC[C@H](C(N)=O)C1 7097626 CIRNXBLHWPILLX-AWEZNQCLSA-N 373.482 1.700 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)NCCN3CCOCC3)CC2)cc1 26182623 FXHUCEUMASMUDH-UHFFFAOYSA-N 360.458 1.053 0 40 FDAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299784 BYHDCWATJHIPIB-IMJJTQAJSA-N 359.474 1.029 0 40 FDAB biogenic,in-vitro CCCn1nnnc1COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 8560244 UMUCAXZGVVNMEL-UHFFFAOYSA-N 360.342 1.436 0 40 FDAB O=C1CN(Cc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738495 XITWEJZQBPWIIM-QZTJIDSGSA-N 374.437 1.840 0 40 FDAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)C(=O)NCc3ccco3)cnc12 58052087 VHBKOTUNEQMJAX-CYBMUJFWSA-N 368.393 1.119 0 40 FDAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(c2cnccn2)CC1 48086341 XEYFCOWENKHVOS-UHFFFAOYSA-N 353.430 1.826 0 40 FDAB OC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 57718623 GZUFLELEEGVFOE-UHFFFAOYSA-N 368.416 1.739 0 40 FDAB CC(C)NC(=O)[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]1O2 107263378 NUZBTFSGUQQFQX-NWANDNLSSA-N 356.419 1.128 0 40 FDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1 10237754 WYJYSHODGSISTD-CQSZACIVSA-N 365.455 1.641 0 40 FDAB CC[C@H](C)N(C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 58328463 VYKNPLMVXNWTPV-ZDUSSCGKSA-N 356.492 1.789 0 40 FDAB O=C(CCC(=O)N1CCOCC1)NCCOc1ccc2ccccc2c1 10998342 YYCDUTJKOZXYLR-UHFFFAOYSA-N 356.422 1.974 0 40 FDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccccc1CN1C(=O)CNC1=O 46277948 GIZKXAAYLCIFQH-HNNXBMFYSA-N 365.389 1.472 0 40 FDAB CCn1ccc(CN(C)C(=O)c2cc3ncc(Br)cn3n2)n1 2791139 MFRARLWSMJMVEJ-UHFFFAOYSA-N 363.219 1.980 0 40 FDAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1OC 12296969 IMRYSERRFHBOLI-JTQLQIEISA-N 363.366 1.641 0 40 FDAB biogenic COc1ccccc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O 2940794 MGNHMSZSFRFETB-UHFFFAOYSA-N 366.377 1.160 0 40 FDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br 37575921 FGWKPSOHBAGUNQ-SECBINFHSA-N 351.197 1.227 0 40 FDAB COc1ccccc1C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 48235305 PBQAKRWQNQBTTQ-UHFFFAOYSA-N 358.375 1.930 0 40 FDAB COc1cc(NC(=O)COc2nnc3ccccn23)cc(OC)c1OC 12769235 JUBBARNTDUQJNT-UHFFFAOYSA-N 358.354 1.773 0 40 FDAB CNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1N 62006763 XBSHGSDKGNQICM-UHFFFAOYSA-N 359.455 1.356 0 40 FDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 48310636 HXFIZUSWDNTLGH-UHFFFAOYSA-N 366.443 1.598 0 40 FDAB COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4156534 QBJVVPUOAUUXKD-GGNLRSJOSA-N 369.373 1.228 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)CCCc2nnc3ccccn23)cc1 95480204 ZRZGRNNFKFPMOH-UHFFFAOYSA-N 373.438 1.016 0 40 FDAB Nc1c(C(=O)N2CCOCC2)sc(=S)n1CCCN1CCOCC1 13721212 LKPIYJNQSOJAMB-UHFFFAOYSA-N 372.516 1.056 0 40 FDAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CCCC[C@@H]1CO 95452977 VDWJXMMIMCLFGS-OCCSQVGLSA-N 374.890 1.676 0 40 FDAB CCOc1ccc2nc(NC3=NC[C@H](CC(=O)OC)C(=O)N3)nc(C)c2c1 22607718 QLMYMCZIDLUKTF-NSHDSACASA-N 371.397 1.414 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 5351940 KBKWSRPSKIHVNL-CFDQXOQFSA-N 361.829 1.879 0 40 FDAB O=C(NCC(=O)N1CCCC1)c1cccc(I)c1 14183257 QTMKZZWPEYBGHP-UHFFFAOYSA-N 358.179 1.643 0 40 FDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 14138926 AIFWIIFMYWFFMV-UHFFFAOYSA-N 361.423 1.237 0 40 FDAB CC(C)N1C(=O)C(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 6436164 IKRBOXGOJWCMHP-UHFFFAOYSA-N 353.172 1.831 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCCC2=O)o1 6609997 VIGRYLIFMGVKQE-NEPJUHHUSA-N 352.460 1.979 0 40 FDAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 408588670 XQDSIPBTWCHNSA-UHFFFAOYSA-N 371.459 1.590 0 40 FDAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)cc1 4971799 GRBAUBPUOOBPIH-UHFFFAOYSA-N 366.381 1.760 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)NC(C)C 9535933 KHTXEQYPEJNHKJ-JTQLQIEISA-N 350.375 1.217 0 40 FDAB COc1ccc(CNC(=O)COC(=O)[C@H](NC(C)=O)C(C)C)cc1OC 7007642 MIURCXRWFVNIMC-QGZVFWFLSA-N 366.414 1.024 0 40 FDAB CCOc1ccccc1NC(=O)[C@@H](C)N(C)CCCN1CCN(C)CC1 95405695 PPNMSCFHNXRXRX-QGZVFWFLSA-N 362.518 1.982 0 40 FDAB COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669292 QHPNIOZBONSPAO-QGZVFWFLSA-N 362.451 1.756 0 40 FDAB CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 7728853 CFBYGHLCMBCYOA-UHFFFAOYSA-N 365.499 1.972 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)cc1F 7883142 IWOXBZILOQYRFP-GFCCVEGCSA-N 355.366 1.624 0 40 FDAB CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 69131554 OWZDIRLFTBXKOY-UHFFFAOYSA-N 353.378 1.463 0 40 FDAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)C(C)C 75093324 UFWRAWPWEBHPCS-SFHVURJKSA-N 357.454 1.583 0 40 FDAB COc1ccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)c(OC)c1 22266963 RCTXUQFPULEMIH-HNNXBMFYSA-N 351.366 1.701 0 40 FDAB Cc1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 557089174 XDRRHFPUPGXXIK-IPYPFGDCSA-N 372.874 1.753 0 40 FDAB COC[C@@H](C)NC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327571 OUNXNQBBJZOYNT-VLIAUNLRSA-N 374.437 1.554 0 40 FDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3cccnc3=O)CC2=O)cc1C 675007940 GFWSLUOJFNUNGS-HNNXBMFYSA-N 354.410 1.029 0 40 FDAB CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1C 32508624 WLDDFPBVPHHBPD-UONOGXRCSA-N 367.496 1.388 0 40 FDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217629081 PQZIMCBAGAUQLY-LLVKDONJSA-N 368.411 1.903 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)cc1 75170313 JZIDOSVKXIUSKI-SFHVURJKSA-N 361.419 1.586 0 40 FDAB C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCO1 198298286 CKBWLBOEEVIKPX-LBPRGKRZSA-N 358.485 1.784 0 40 FDAB CN(c1cccc(NC(=S)NCCCN2CCCC2)c1)S(C)(=O)=O 225433471 GLNIDOAPYGBMMM-UHFFFAOYSA-N 370.544 1.855 0 40 FDAB O=C(c1cn(-c2ccc(F)cc2)cn1)N1CCN(c2ncccn2)CC1 226752952 ZUSFBIXNPUAVJQ-UHFFFAOYSA-N 352.373 1.764 0 40 FDAB O=C(c1cccc(Br)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48312817 WQAPNCNDYBOHMC-AWEZNQCLSA-N 367.243 1.913 0 40 FDAB Cc1csc(CNC(=O)Cn2cc(I)cn2)n1 223439472 XMYZDQBTOSIROL-UHFFFAOYSA-N 362.196 1.569 0 40 FDAB Cc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)cc1 49399717 NBTZCIQTVCZDKX-UHFFFAOYSA-N 352.398 1.438 0 40 FDAB CC(C)NC(=O)N1CCN(C(=O)c2cccs2)C[C@@]2(CNC(=O)C2)C1 96036016 UVCSFIRHEVDJNL-QGZVFWFLSA-N 364.471 1.130 0 40 FDAB COC(=O)c1nc(NC(=O)CCCn2c(C)cc(O)cc2=O)sc1C 96116756 MMIAXKGYFCEEGJ-UHFFFAOYSA-N 365.411 1.833 0 40 FDAB COCCN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96052522 PKSKFGIASRTEOM-UHFFFAOYSA-N 364.467 1.505 0 40 FDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)cn1 96199556 RJRMSHXIWCLVNM-HNNXBMFYSA-N 351.410 1.459 0 40 FDAB O=C(Cc1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)CC1 333317291 TUAIAZZSECYXOZ-QGPMSJSTSA-N 359.445 1.427 0 40 FDAB O=C(c1cnccn1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 96160127 CJMNLFGONHTVFY-HNAYVOBHSA-N 354.410 1.962 0 40 FDAB Cc1ccc2c(c1)CC[C@@H](c1nc(CCn3cc(C(N)=O)cn3)no1)O2 585084337 NDERQSMTYDUQPL-HNNXBMFYSA-N 353.382 1.982 0 40 FDAB CN(C)c1ncc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 257219334 DGLJXLHZZKPMJC-LPHOPBHVSA-N 356.426 1.587 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1[nH]cnc1C)CC[C@H]2O 257319544 VSYZYRBHAJPJGQ-KCLUMXDGSA-N 368.481 1.915 0 40 FDAB Cc1noc(C)c1CN1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 251922187 BAOKZLQFIJSBEF-QGZVFWFLSA-N 355.398 1.954 0 40 FDAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccn2)n1 604382053 BDEPDKHMNNUXME-NCXUSEDFSA-N 370.497 1.859 0 40 FDAB biogenic,in-vitro Cc1ncc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1C 257314790 UYLKKFGOCVZCED-CYBMUJFWSA-N 364.475 1.171 0 40 FDAB CCn1cc(O[C@@H]2CN(Cc3cc4ccccc4nc3O)C[C@H]2O)cn1 625620174 RGHOEHQIQBPGDC-QZTJIDSGSA-N 354.410 1.781 0 40 FDAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 647928721 TYDHLZAVAHALTR-CYBMUJFWSA-N 367.345 1.960 0 40 FDAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](OCCCc2ccccc2)C1 674454240 XEECKNWNUBRPEM-IRXDYDNUSA-N 351.468 1.671 0 40 FDAB CN1CCC(c2ncc(C(=O)N3CCOC[C@@H]3c3ccnn3C)[nH]2)CC1 685943003 ZNRSHPPVYQIGIJ-MRXNPFEDSA-N 358.446 1.166 0 40 FDAB CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)[C@@H]1C(C)C 1775956873 AOUMAPNCYVBTNK-FTEYMNFISA-N 356.470 1.934 0 40 FDAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc(C(=O)O)c2)CC1 576465570 GOUMBRSQDOUGHK-UHFFFAOYSA-N 361.442 1.401 0 40 FDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3ccncc3)C2)OC1)C1CC1 585104305 GZKACFVDLPJGDK-HNNXBMFYSA-N 351.472 1.144 0 40 FDAB COCCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282863 BHQMBNSUQNNARF-KRWDZBQOSA-N 370.833 1.228 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CC(F)C3)CC2)cc1 680266980 VYBGJOMKZIGLOR-UHFFFAOYSA-N 355.435 1.511 0 40 FDAB COc1ccc([C@@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)cc1 52712907 LGVXRGYIJUEESV-OAHLLOKOSA-N 364.833 1.917 0 40 FDAB CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2F)c1C 62132143 JADBGCOPTRVAFT-MRXNPFEDSA-N 373.384 1.282 0 40 FDAB CN(C(=O)[C@@H]1COc2ccccc2C1)C1CN(c2cc3c(nn2)CCC3)C1 585590227 LFHWMWXVEWDMCK-INIZCTEOSA-N 364.449 1.864 0 40 FDAB CC(=O)N1CCN([C@@H]2CCC[C@H](Oc3ccccc3)[C@@H]2O)C[C@H](CO)C1 1615108242 RVKXTPPVGCDMHB-RSPOEFSDSA-N 362.470 1.120 0 40 FDAB NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 5151489 RKGUAQDJSNXUNT-UHFFFAOYSA-N 366.768 1.923 0 40 FDAB OC[C@@H](O)[C@@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]21 5459359 FMZUHGYZWYNSOA-UPQMVPBKSA-N 358.390 1.937 0 40 FDAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146611 SRBVABDWTMBQMA-UHFFFAOYSA-N 370.365 1.741 0 40 FDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)n3cncn3)nn2c1O 12276323 NPCQZENWSFRBRE-DOMZBBRYSA-N 369.429 1.822 0 40 FDAB CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)OC)nc2c1CN(C)CC2 19711588 ONYVRPZAWLDNEC-HNNXBMFYSA-N 361.490 1.985 0 40 FDAB CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 100568683 PEBXGLALMHVYPY-KRWDZBQOSA-N 374.437 1.613 0 40 FDAB in-vitro CSCC[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 3886733 VFHKSFCDPODZMG-ZDUSSCGKSA-N 371.484 1.193 0 40 FDAB in-vitro CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCC)cc1)NC(=O)N2 9317333 FDDFHINVMMHPST-QGZVFWFLSA-N 359.426 1.962 0 40 FDAB CCCN1CCCc2cc(CCNC(=O)C(=O)NC[C@H]3CCCO3)ccc21 11613017 FZFFALPIPBKSAT-GOSISDBHSA-N 373.497 1.803 0 40 FDAB O=C(c1ccc2nsnc2c1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1888890805 LJOKCTZVIOSMLO-BETUJISGSA-N 352.423 1.690 0 40 FDAB Cc1nc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c2ccncc2n1 1888890909 XFPVCTRLMPPNTB-HOTGVXAUSA-N 359.389 1.959 0 40 FDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)c1C 14914229 WIFONANJIJHDRY-MRXNPFEDSA-N 366.483 1.542 0 40 FDAB COc1cccc(CNC(=O)NCCn2cnc3ccsc3c2=O)c1 238972580 ZOCCVXRIIVHYNK-UHFFFAOYSA-N 358.423 1.966 0 40 FDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1ccc2nsnc2c1 245053660 PFIWYACOYZDKPA-CQSZACIVSA-N 357.391 1.926 0 40 FDAB Cc1ncc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)c(C)n1 2037985828 XQBDDRNFLJQXMY-IBGZPJMESA-N 360.458 1.726 0 40 FDAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cc(C)on3)CC2)n1 2087126089 STTBFAXRTFUIPA-UHFFFAOYSA-N 358.446 1.240 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1ncnc(C)c1C)CC2 1565549353 PWZPLKDYFQSSEF-UHFFFAOYSA-N 354.410 1.824 0 40 FDAB Cc1nc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)cs1 1565553611 GAZAYVXDONSCGN-UHFFFAOYSA-N 359.455 1.260 0 40 FDAB CC(C)N(C)CC(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1 1565553763 IRCLWIMOZUSODC-UHFFFAOYSA-N 361.490 1.628 0 40 FDAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 4270547 UZQONTMGWSYNHW-UHFFFAOYSA-N 370.456 1.656 0 40 FDAB CNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(NC(C)=O)cc1 10256158 ZHKQTIYNLXRBLV-QGZVFWFLSA-N 373.434 1.511 0 40 FDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2055835275 JHRWGYDUZGUJQW-IBGZPJMESA-N 371.441 1.253 0 40 FDAB Oc1cc(C2CC2)nc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 2298049109 HZCHKSTWHLRBAB-UHFFFAOYSA-N 370.335 1.784 0 40 FDAB COc1cc(C)c(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 40071115 XDXVLCDKQRSXTG-GFCCVEGCSA-N 356.444 1.070 0 40 FDAB CCn1c(=S)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20410464 PHFHLINAMDVXAV-AWEZNQCLSA-N 363.439 1.884 0 40 FDAB biogenic Cn1c(=O)c2[nH]c(SCC(=O)c3ccc(Cl)cc3)nc2n(C)c1=O 100970395 NXIMWDAOBDJQRW-UHFFFAOYSA-N 364.814 1.589 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1 21209973 NYXLGOZXDOXPEK-UHFFFAOYSA-N 360.439 1.824 0 40 FDAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nc(CC(N)=O)cs1 21496398 HJZSAZHAAWUTQL-SNVBAGLBSA-N 356.407 1.625 0 40 FDAB CC(C)c1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(O)c1 53663127 HFYYRERYFVXBMX-UHFFFAOYSA-N 359.426 1.079 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 55318159 RNKMIBSJVZJGAC-UKRRQHHQSA-N 365.499 1.703 0 40 FDAB CC(C)[C@H](C(=O)NCCNC(=O)c1c(F)cccc1F)N1CCCC1=O 78673579 CXBDGUGSJRBMIS-MRXNPFEDSA-N 367.396 1.458 0 40 FDAB O=C(O)[C@@H](Cc1ccc(O)cc1)N[C@@H](c1ccccc1)P(=O)(O)O 1590383 JEUSOUAJTPGJSH-HUUCEWRRSA-N 351.295 1.854 0 40 FDAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCSC[C@@H]32)C1=O 25185404 GIRIPXULADFCFG-KDOFPFPSSA-N 359.451 1.638 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 2621746 KSBKGTKWFUQFHH-QWRGUYRKSA-N 366.414 1.601 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 10640683 LJAAXWJIRIWBLH-CYBMUJFWSA-N 358.394 1.474 0 40 FDAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCC1 10795568 PCLIAUALHPPVSM-NSHDSACASA-N 354.428 1.328 0 40 FDAB COc1cc(CNC(=O)c2ccccc2-n2cnnn2)cc(OC)c1OC 57837066 DMXIYDVGXLTZFH-UHFFFAOYSA-N 369.381 1.618 0 40 FDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 57578040 WLGAFURZCABPBS-JTQLQIEISA-N 362.382 1.440 0 40 FDAB Cc1ncsc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108532544 RHKOVOSSZAEQHI-ZDUSSCGKSA-N 359.517 1.514 0 40 FDAB Cn1ccnc1[C@](O)(CC(=O)NCCOc1ccccc1)C(F)(F)F 58162178 QZIXMTGSHMNOBX-OAHLLOKOSA-N 357.332 1.755 0 40 FDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 10259660 LQHNRVNGRAQDRS-UHFFFAOYSA-N 358.439 1.562 0 40 FDAB CCN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 58209416 JWIOKEVVWJHTAA-LLVKDONJSA-N 370.833 1.711 0 40 FDAB COC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1 9154975 NQQLYYFTVRJCJM-UHFFFAOYSA-N 362.407 1.780 0 40 FDAB Cc1cc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)no1 96005017 YWFSSFGKVWNNNC-ZDUSSCGKSA-N 356.448 1.841 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2ccc(F)cc21 59005329 QEGYXPMNGCGRBV-UHFFFAOYSA-N 353.353 1.808 0 40 FDAB Nn1c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)nc2ccccc2c1=O 102330387 CIEATEFQSHFURA-CQSZACIVSA-N 366.402 1.535 0 40 FDAB Cn1c(SCc2cccc(C(=O)O)c2)nnc1[C@H]1CCS(=O)(=O)C1 12789247 SLPIJAQYOJWLEQ-LBPRGKRZSA-N 367.452 1.708 0 40 FDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1F 12861794 BBOVRMLKIPDBPE-UHFFFAOYSA-N 365.430 1.879 0 40 FDAB CCC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 60252314 SXHUEBUADRLXNC-ZDUSSCGKSA-N 351.378 1.514 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)OCC)CC2)c1C 13135244 MUTODAJIRJRDBZ-UHFFFAOYSA-N 365.430 1.765 0 40 FDAB COc1ccc(-c2noc(CN3CCN(C(=O)C4CC4)CC3)n2)cc1OC 49611696 HJQBOMZRKHJRNN-UHFFFAOYSA-N 372.425 1.808 0 40 FDAB O=C1CCC(C(=O)OCC(=O)Nc2ccccc2Br)=NN1 4349375 RUOFOJCGPSMSMW-UHFFFAOYSA-N 354.160 1.197 0 40 FDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 4496020 XKGGSUHWNDRGKD-ZDUSSCGKSA-N 371.368 1.700 0 40 FDAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1 14099489 RECYVXSRFIRVMD-UHFFFAOYSA-N 351.403 1.536 0 40 FDAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3C(N)=O)cc2C[C@H]1C 9338411 OSSRUSCNRISJJF-LLVKDONJSA-N 373.434 1.884 0 40 FDAB NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccnc2)c1 15435922 KOLCIFLOVJBUBQ-UHFFFAOYSA-N 356.201 1.744 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nn1-c1ccccc1 7233174 OEKFOHOKGBXLMH-LLVKDONJSA-N 356.382 1.751 0 40 FDAB C[C@@H](NC(=O)CCN1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 22199532 YUSOOHWWFNZKMV-GOSISDBHSA-N 372.513 1.494 0 40 FDAB NS(=O)(=O)c1ccc(OCCOC(=O)CCc2ccsc2)cc1 7533316 BAQUPAZFFWZXTG-UHFFFAOYSA-N 355.437 1.950 0 40 FDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(=O)NCc1cccs1 9500298 URLJDIXAZYWFNV-UHFFFAOYSA-N 360.374 1.567 0 40 FDAB O=C(CSc1nnnn1C1CCCC1)N1CCN(c2ccccn2)CC1 8071106 GBAGVTWPJGYGKO-UHFFFAOYSA-N 373.486 1.624 0 40 FDAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccccc2)CN1CCN1CCOCC1 69141060 MZGKCYMVCJJLAA-OALUTQOASA-N 371.481 1.531 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 8392045 YPHGXCFZEGSIIG-INIZCTEOSA-N 374.418 1.292 0 40 FDAB CN(C)C(=O)CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8402029 SPDRTSLNJXYCRS-KRWDZBQOSA-N 352.390 1.959 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8502032 OZJXBZSKETVTDR-SFHVURJKSA-N 354.414 1.757 0 40 FDAB O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 8764346 GHIXAQUIRUXLLZ-CQSZACIVSA-N 366.425 1.634 0 40 FDAB biogenic C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCO2 8707187 OBJABZDDUJDVNC-LLVKDONJSA-N 359.382 1.457 0 40 FDAB CNC(=O)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 8943190 LVQTUUKFKHDJDE-UHFFFAOYSA-N 358.423 1.675 0 40 FDAB CCOCCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 409406839 DEWCVTZFXVSWSX-UHFFFAOYSA-N 366.842 1.788 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 95950216 SWLCIOBRWKSSFG-UHFFFAOYSA-N 369.468 1.913 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(N)=O)ccc32)cc1C(=O)O 95939625 QCWAVEOZYAENHD-UHFFFAOYSA-N 374.418 1.934 0 40 FDAB COCCCS(=O)(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)c(C)c1 95957604 VJTJKXOLVLBQKE-OAHLLOKOSA-N 372.512 1.983 0 40 FDAB COc1ccc2ccn([C@H](C)C(=O)N3CCN(C(C)=O)CC3)c(=O)c2c1 89507271 ZGIAYNVMUWKCTA-CYBMUJFWSA-N 357.410 1.262 0 40 FDAB COC[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 408619467 MQSXUPVKIMBZSH-SECBINFHSA-N 352.815 1.396 0 40 FDAB c1ccc(CO[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306138982 SMFMBNWZWPUBJT-HNNXBMFYSA-N 352.398 1.474 0 40 FDAB CCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 38270909 LIIPDBBFKAHOGU-UHFFFAOYSA-N 367.515 1.608 0 40 FDAB O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CCCC2(CCCCC2)CC1 527039562 ZVPNPBAPNOQYNU-OAHLLOKOSA-N 358.504 1.946 0 40 FDAB CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 34855042 KEWYNPQMDJAOHP-UHFFFAOYSA-N 373.478 1.656 0 40 FDAB COc1cccc2sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 30607157 FQSFXLWCVTYMBB-VIFPVBQESA-N 355.441 1.667 0 40 FDAB Cc1c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)N3CCCC3)c2)cnn1C 72392206 DTMKNVQADRDPDY-ZDUSSCGKSA-N 371.441 1.004 0 40 FDAB CN(C)C1(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)Cc2ccccc2C1 525033190 DKDWSPPXCJXWLZ-GOSISDBHSA-N 369.509 1.993 0 40 FDAB C[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(O)C1)c1nc(-c2ccccc2)no1 568793899 IURQSIANWBHKTN-ORAYPTAESA-N 372.425 1.330 0 40 FDAB NC(=O)NC(=O)CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 40023385 OWIHNYJTZNYJDM-UHFFFAOYSA-N 358.364 1.408 0 40 FDAB C[C@@H]1CCCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 47110878 ULARLUOBBOMBEW-MRXNPFEDSA-N 367.515 1.545 0 40 FDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccc(Cl)c1 224274827 QJIRLUQMTZUXIQ-UHFFFAOYSA-N 354.819 1.767 0 40 FDAB Cc1cc(S(=O)(=O)N(C)C)cc(NCC2(CS(C)(=O)=O)CC2)c1C 332039127 YZVFUADYBDGFCV-UHFFFAOYSA-N 374.528 1.790 0 40 FDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)COc3ccccc3)C1)COC2 96243997 IQGHEEFISRCXCI-FQEVSTJZSA-N 368.437 1.622 0 40 FDAB O=C(CC1CCCC1)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96197607 ASPHRQWEDINPIP-UHFFFAOYSA-N 356.430 1.196 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)COc3c[nH]c(C)cc3=O)c2c1 96114359 ZUWQDMRYQPLXMI-UHFFFAOYSA-N 355.394 1.911 0 40 FDAB biogenic O=C(c1cnccn1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230223 PFIRBKVCTNTLPP-UHFFFAOYSA-N 365.437 1.083 0 40 FDAB CCN1CC[C@@H](NC(=O)N2CCC(O)(Cc3ccccc3F)CC2)C1=O 585080653 RTSSAWVEXWISQA-MRXNPFEDSA-N 363.433 1.526 0 40 FDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1 248101038 DWUHYQAPZSGBRI-ZDUSSCGKSA-N 359.405 1.370 0 40 FDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccsc1)CC2 247900958 VUJGWAIGNZMZPX-HNNXBMFYSA-N 358.529 1.868 0 40 FDAB CN(Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN([C@H]3CCOC3)C2)O1 248021445 FOXYSEKAGOZVIK-YTQUADARSA-N 350.459 1.750 0 40 FDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cn4ccnc4C)C[C@@H]32)nn1 257221741 DQHZRBLDPJLMCX-IXDOHACOSA-N 354.458 1.663 0 40 FDAB Cc1cn(-c2ccnc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)c(C)n1 257277214 NWWWOVVRGXUAGD-OAHLLOKOSA-N 363.487 1.870 0 40 FDAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 257250579 JNCDCGPTJOLWCW-AWEZNQCLSA-N 361.423 1.899 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@H]1CCc1nccnc1C 257316532 VFZTZMGQGPULLR-QGZVFWFLSA-N 357.458 1.620 0 40 FDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)cc(N(C)C)n1 257267966 MJSJNDFHJXWPHV-INIZCTEOSA-N 355.442 1.835 0 40 FDAB Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)ccc2n1C 257278209 OBGVRZTYNZREOX-ATZDWAIDSA-N 372.469 1.226 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1cncnc1-c1ccccc1)[C@@H]1CCOC1 656731217 KQMNBYCZSVINEZ-GDBMZVCRSA-N 363.439 1.937 0 40 FDAB Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c1 656919572 RTBRGHQDZPQTFU-OAHLLOKOSA-N 365.499 1.590 0 40 FDAB Cn1cc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c(=O)n(C)c1=O 666441036 HXDQCHIQXVTAJY-KRWDZBQOSA-N 355.438 1.438 0 40 FDAB COc1ccc(CN(C)C(=O)CN2CCCC[C@@H](O)C2=O)cc1Cl 644499673 KPIHRSTYUVXKEV-CQSZACIVSA-N 354.834 1.680 0 40 FDAB Cc1cc(C)cc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 585112407 PEBDDILQTIHSEP-GOSISDBHSA-N 362.499 1.996 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1cccnc1-n1ccnc1 75836022 WWBBKWYVIZCQNA-UHFFFAOYSA-N 361.361 1.180 0 40 FDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1 5796519 VKJDNSLDKFXSPG-QWHCGFSZSA-N 352.412 1.187 0 40 FDAB CC(C)CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085957 NDZOKSVQSXWFMN-VLIAUNLRSA-N 372.469 1.711 0 40 FDAB Cn1c(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 12551904 WXSVBWGPGTUTOE-UHFFFAOYSA-N 372.450 1.470 0 40 FDAB CCc1nnsc1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 12914508 OTMPVRORPUYJTP-UHFFFAOYSA-N 354.457 1.117 0 40 FDAB O=C(NCCc1c[nH]cn1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13550223 KMDLGOKXJXBIRJ-UHFFFAOYSA-N 374.836 1.305 0 40 FDAB O=S(=O)(NC[C@H]1CCCO1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585674 XBYSCJAZFRIVBA-CYBMUJFWSA-N 370.452 1.182 0 40 FDAB CCN(Cc1cn(CC)nc1C)C(=O)C(=O)Nc1cccc2nonc12 13691467 ADLLSPIHOWKGAY-UHFFFAOYSA-N 356.386 1.735 0 40 FDAB COc1ncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 19572074 QUUYWUJHNLPWBQ-WMLDXEAASA-N 368.441 1.374 0 40 FDAB COCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccsc1 5412871 CWCGRLQKTHRALO-NSHDSACASA-N 363.395 1.146 0 40 FDAB C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 16418400 JRBYHXRAKRDQQJ-CHWSQXEVSA-N 366.439 1.571 0 40 FDAB Cc1ccc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)nn1 1565544081 HFDIPNLWXIISKK-NDUPCHFUSA-N 372.469 1.123 0 40 FDAB COC1(CC(=O)N2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)CCC1 1565549218 RVWCSJCIXMSAOA-APWZRJJASA-N 363.458 1.476 0 40 FDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 2710814 WQHZHMXZSVWPMW-UWVGGRQHSA-N 350.396 1.275 0 40 FDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1nccs1 10256771 ORHVOVQEZBPJNQ-UHFFFAOYSA-N 366.468 1.302 0 40 FDAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccccc1Cl 22996936 JWQAFOHHXIWZGK-HNNXBMFYSA-N 369.849 1.434 0 40 FDAB CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc(CC)cc3)nc12 49400355 YEISLZASJVKFEE-UHFFFAOYSA-N 368.441 1.938 0 40 FDAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]2N)c2ccncc21 19290475 LBKYVDLUWBHREI-GOEBONIOSA-N 374.441 1.828 0 40 FDAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccccc12 100030046 SVAGUPQNGYPJEF-KEYYUXOJSA-N 350.440 1.852 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c[nH]2)s1 40215782 ZPZXATAEZSIOKN-UHFFFAOYSA-N 364.246 1.416 0 40 FDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 51530199 XXHOQFDFCBTQGB-FUHWJXTLSA-N 362.451 1.644 0 40 FDAB CC(C)COC[C@@H](O)CNC(=O)NC1CCN(Cc2ccccc2)CC1 32927887 MCNCZGQJDMRZFG-IBGZPJMESA-N 363.502 1.984 0 40 FDAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 53281429 XKXCHIXCQMSXIT-GFCCVEGCSA-N 373.858 1.689 0 40 FDAB O=C1[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@H]([C@@H]2C2(OCCO2)[C@]35Br)[C@@]14Br 103646601 GABJUTVSUROVBC-JSVBDMHOSA-N 362.017 1.331 0 40 FDAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CCN2CCCC2)CC1 22782155 WDWUNBDWCMXWTR-UHFFFAOYSA-N 371.460 1.865 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1 806173 HTLHFOKVLNSBBD-UHFFFAOYSA-N 358.485 1.564 0 40 FDAB CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)NCc2cccnc2)c1 1717001 XTMUHCQNRXGBQD-UHFFFAOYSA-N 351.414 1.197 0 40 FDAB CCCCn1c(SCC(=O)N(C)C)nc2cc(S(N)(=O)=O)ccc21 6198971 FIMDTLUGFQBMJM-UHFFFAOYSA-N 370.500 1.664 0 40 FDAB COC(=O)C1=NOC2(CCN(CC(=O)N(C)Cc3ccccc3C)CC2)C1 96012849 FDWJLWAKKUKGOM-UHFFFAOYSA-N 373.453 1.737 0 40 FDAB COCCn1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O 57425689 OWPUAGFUVIZVFO-UHFFFAOYSA-N 353.469 1.819 0 40 FDAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 12557287 AKSRTAFTGDOGSB-UHFFFAOYSA-N 361.379 1.624 0 40 FDAB COc1ccc(N2CCn3c2nn(Cc2ccccc2F)c(=O)c3=O)cc1 8849269 ROAJWHIWMUXUQJ-UHFFFAOYSA-N 368.368 1.753 0 40 FDAB CN(C)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)C1CCCCC1 46949170 GVZAWNKCEXOJDL-GJZGRUSLSA-N 362.561 1.533 0 40 FDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)COCCOc1ccccc1 58217816 KLZYOAJSLBNCSC-HNNXBMFYSA-N 366.483 1.898 0 40 FDAB Cc1csc2nc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)cc(=O)n12 48309599 OVXGWYDYZKGTQP-CQSZACIVSA-N 360.483 1.803 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12877577 YLILZYMNGBTNHR-UHFFFAOYSA-N 373.434 1.739 0 40 FDAB C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)NC1CCCCC1 12805112 RBIVGQMOQNJBNS-CYBMUJFWSA-N 371.437 1.857 0 40 FDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cc(=O)n2ccsc2n1 3432960 PLGXHHCWXUSCQQ-GOSISDBHSA-N 366.402 1.650 0 40 FDAB COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)noc1C 65099982 VIBQAXZBJLHNBT-CQSZACIVSA-N 350.396 1.580 0 40 FDAB O=C(NCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)c1ccco1 74211909 HBDBCIJBJQJDAJ-INIZCTEOSA-N 369.421 1.821 0 40 FDAB CNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6486036 WCQNQMNNJFLKLA-UHFFFAOYSA-N 374.846 1.417 0 40 FDAB Cn1c(=O)c2c(nc3n(CCCCO)c(-c4cccs4)cn23)n(C)c1=O 5454540 FMZCMTKCDXKGQT-UHFFFAOYSA-N 373.438 1.187 0 40 FDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6719197 BYQNBLHTRQXNBC-NWDGAFQWSA-N 368.436 1.079 0 40 FDAB O=C1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccc1 9578902 OBLDUPYOTGPNQE-QGZVFWFLSA-N 365.437 1.174 0 40 FDAB O=C(Nc1ncn[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 7669589 FQWMDOCMIGYZPV-HNNXBMFYSA-N 371.422 1.750 0 40 FDAB Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O 7982298 JTZZMOOFZSUWKX-UHFFFAOYSA-N 368.418 1.835 0 40 FDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 95965183 AAFYQKNRMAKPRW-GXTWGEPZSA-N 365.865 1.480 0 40 FDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 97015883 SOPXEOQNBUCZEA-GFCCVEGCSA-N 356.835 1.619 0 40 FDAB O=C(CCNC(=O)c1ncccc1C(F)(F)F)NCc1ccncc1 92350637 YGRAERLURGEYJJ-UHFFFAOYSA-N 352.316 1.932 0 40 FDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O 8705770 YOXCUJOAYMPRPI-BZNIZROVSA-N 350.444 1.637 0 40 FDAB CC[C@H](C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCC(=O)O 8994897 YADRWJIIAAQRHW-BONVTDFDSA-N 362.386 1.420 0 40 FDAB biogenic NC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 8983352 FTBACPKAVIQQFP-UHFFFAOYSA-N 362.802 1.793 0 40 FDAB C[C@H](SCc1nc(N)nc(N(C)C)n1)C(=O)NCc1ccc(F)cc1 8935565 ZYTMBCWHLUZBPG-JTQLQIEISA-N 364.450 1.597 0 40 FDAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 95461079 XWMCEGZNCYFLHY-KGLIPLIRSA-N 354.476 1.840 0 40 FDAB Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CNC(=O)C1 95467312 RVXAZHNIBYEWNE-SNVBAGLBSA-N 350.216 1.717 0 40 FDAB O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)Nc1ccc(F)cc1 670105868 XGWBNJIVSYLHNT-UHFFFAOYSA-N 355.435 1.264 0 40 FDAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(C3CCC3)C[C@H]1C2 306130906 JSIHTVIVEOMYFY-HZPDHXFCSA-N 351.454 1.865 0 40 FDAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)o1 409213402 UFDCZMPTOGGHTP-BPLGCGBFSA-N 350.396 1.920 0 40 FDAB Cc1cnc(C(=O)N2Cc3cncn3[C@H](COc3ncccc3F)C2)cn1 306137963 RLCYETDZKOROFY-AWEZNQCLSA-N 368.372 1.792 0 40 FDAB O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 31874844 KEMKQPOIIONHIG-UHFFFAOYSA-N 368.386 1.370 0 40 FDAB CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)s1 35898006 UHCVYUMZZUAAFU-KXNHARMFSA-N 352.412 1.616 0 40 FDAB COC(=O)c1nc(NC(=O)CNC(=O)c2cnccn2)sc1C(C)C 72402716 YVNZHIWLLKNTOD-UHFFFAOYSA-N 363.399 1.212 0 40 FDAB COc1cccc(N2CCN(C(=O)COc3c(C)occc3=O)CC2)c1 40266203 TXRDWVKLWWEOHT-UHFFFAOYSA-N 358.394 1.684 0 40 FDAB CC(C)n1ncc(NC(=O)Cn2cc(-c3ncnc4nc[nH]c34)cn2)n1 48428174 KWRYLIBMKVMQRJ-UHFFFAOYSA-N 352.362 1.028 0 40 FDAB O=C(c1ccncc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159077 FSZHOZCXZQAYMH-UHFFFAOYSA-N 357.389 1.522 0 40 FDAB COCCN(C)c1nc(C2CCN(C(=O)N(C)C)CC2)cc2c1ncn2C 96267130 NHBVEVIOROTNPK-UHFFFAOYSA-N 374.489 1.912 0 40 FDAB CCS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 96207501 JEIAQTCXFBFGRQ-DLBZAZTESA-N 353.488 1.535 0 40 FDAB O=C(c1cocn1)N1CCOC[C@H]1c1nccc(NC2CCOCC2)n1 96217477 VSMAVUZGUUPKPW-AWEZNQCLSA-N 359.386 1.269 0 40 FDAB CCN1C(=O)[C@@H](c2cnn(C)c2)CC12CCN(C(=O)c1ccno1)CC2 96069637 LVYLIUWMCNZJEN-CQSZACIVSA-N 357.414 1.419 0 40 FDAB CNCCOc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 257222806 DUSZXPFVUIRZKO-RTBURBONSA-N 356.422 1.549 0 40 FDAB COc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cn1 257230759 GDUJEIQOMOLGIS-MRXNPFEDSA-N 355.385 1.398 0 40 FDAB O=C(O)C[C@@]1(C(=O)O)CCN(S(=O)(=O)c2csc3ccccc23)C1 285251181 URINJEZGHDTRGD-HNNXBMFYSA-N 369.420 1.841 0 40 FDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCC2 653496473 RXUBKBNHNWTYCH-CQSZACIVSA-N 362.407 1.381 0 40 FDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)Cc2ccccc2)[C@H]2CCO[C@@H]21 585109428 OOSGEYOBTPUHLA-ZIFCJYIRSA-N 354.406 1.754 0 40 FDAB CNC(=O)[C@@H]1COC2(CN(Cc3cccc(OC)c3)C2)CN1CC1CC1 585109326 IYDHGLWZVKFJTO-SFHVURJKSA-N 359.470 1.106 0 40 FDAB COc1cccc(N2CCC(O)(CN3CCC[C@](C)(C(N)=O)C3)CC2)c1 585285142 WFKLEOUMEQEXES-IBGZPJMESA-N 361.486 1.614 0 40 FDAB COc1cccc(O[C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)CC[C@@H]2O)c1 585290338 QKMXQOFZTQIGBR-FNYRVFDFSA-N 371.437 1.873 0 40 FDAB CS(=O)(=O)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 61020971 BPLPVIVSOKTEIJ-UHFFFAOYSA-N 359.517 1.304 0 40 FDAB COCCC(=O)N1CCCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 1615158145 FEOYGPKIVVZGKN-ZWKOTPCHSA-N 365.470 1.769 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 5631933 UCNBZBGXXQHDQJ-CQSZACIVSA-N 362.407 1.763 0 40 FDAB Cc1ccc(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)o1 12121463 LROURXAEMQFFIY-UHFFFAOYSA-N 355.441 1.863 0 40 FDAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cn1ccnc1)c1ccccc1O2 12221359 NWZASRJGPCGMRN-UZLBHIALSA-N 368.437 1.904 0 40 FDAB O=C(CNc1cccc(-n2cnnn2)c1)NC(=O)NCCc1cccs1 12538980 HCCCNUWBBLECEZ-UHFFFAOYSA-N 371.426 1.204 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 15191611 FNGCQAGWQGUJIG-UHFFFAOYSA-N 355.369 1.639 0 40 FDAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@@H]1COCCO1 15936073 NVNWGRLBTBGISV-CQSZACIVSA-N 363.801 1.095 0 40 FDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19576187 CNMYVKMJJWSQIQ-BXTJHSDWSA-N 357.454 1.778 0 40 FDAB CN1CCN(Cc2cccnc2N(C)C)C[C@H](Cc2ccccn2)C1=O 19696832 GYKIINDIULEPFE-KRWDZBQOSA-N 353.470 1.676 0 40 FDAB Cc1nnsc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)COCC2 225580860 JMZYNTRDJVJVSY-UHFFFAOYSA-N 373.360 1.701 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCCC2 3090167 GWWKIWHMPPAMFW-UHFFFAOYSA-N 364.423 1.891 0 40 FDAB NC(=O)C[C@@H]1COCCN1c1ccc(Br)c(C(F)(F)F)n1 649564919 DKPZUHADYANVPM-SSDOTTSWSA-N 368.153 1.944 0 40 FDAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)O 16899650 NCOUAWQFEJLBPV-JSGCOSHPSA-N 364.423 1.258 0 40 FDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)COC)C1=O 2726013 XGGBCYOODOHNDT-GTNSWQLSSA-N 351.378 1.134 0 40 FDAB O=C([C@@H]1OCCc2ccccc21)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888856904 VWIRFBBCPLOWBA-XYJFISCASA-N 350.422 1.685 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC=CC5)C[C@H]4C3)ncnc21 1888867106 PZPIHNPYENZZEU-GASCZTMLSA-N 352.442 1.707 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@@H]4C3)ncnc21 1888904310 OSEDKQXUOROZEX-KBPBESRZSA-N 363.425 1.450 0 40 FDAB CN([C@H]1CCN(c2ccc3nncn3n2)C1)S(=O)(=O)Cc1ccccc1 1888906367 VWUPANZVOLPNEQ-HNNXBMFYSA-N 372.454 1.165 0 40 FDAB Cc1cc(N2CCN(Cc3ccncc3)CC2)nc(N2CCOCC2)n1 1889108820 YNENKGZGQDIPME-UHFFFAOYSA-N 354.458 1.339 0 40 FDAB Cc1cnc(CNC(=O)[C@@H]2CN(c3ncccn3)CC23CCOCC3)nc1 1615101834 WPDZRWBPYJFNGS-HNNXBMFYSA-N 368.441 1.124 0 40 FDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(Cl)c1 4107521 FEXHDNZWDOUBMP-LBPRGKRZSA-N 350.799 1.357 0 40 FDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccn1C 11898948 SPOZINJANYZBJN-OAHLLOKOSA-N 350.369 1.661 0 40 FDAB COc1ccccc1C1(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)CC1 1775966251 VVSOGLBABQHKJG-UHFFFAOYSA-N 370.384 1.531 0 40 FDAB O=C(/C=C/c1ccco1)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206636398 PDQMJYSMCYRWOF-BQYQJAHWSA-N 365.393 1.864 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4cccc(-n5cccn5)n4)CC3)c21 2298080864 ZMLLZFDDDPCIJN-UHFFFAOYSA-N 361.413 1.271 0 40 FDAB CN1CCC(N[C@@H]2C[C@@H](c3nc(-c4cccnc4)nn3C)CC[C@H]2O)CC1 2332241582 JTZNLSPMADHVGX-BMGDILEWSA-N 370.501 1.558 0 40 FDAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 40088787 HKNYEXSRINIING-UHFFFAOYSA-N 373.475 1.343 0 40 FDAB CN(Cc1ccc(F)c(F)c1)C(=O)C1=NN(c2ccccc2)C(=O)CN1 40091033 SBKRZYDZDYGAMK-UHFFFAOYSA-N 358.348 1.873 0 40 FDAB C[C@H](NC(=O)c1ccc(-n2c(=O)n(C)c(=O)n2C)cc1)c1ccc(F)cc1 40146546 KQTGKXQSGABUDG-LBPRGKRZSA-N 370.384 1.505 0 40 FDAB CC[C@H]1CN(C(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)CCO1 30603715 KWPYVAYOOZIPHY-VIFPVBQESA-N 371.319 1.638 0 40 FDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1F 51137957 ILLGEDWNEFWPIZ-NSHDSACASA-N 358.341 1.479 0 40 FDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccccc1 20722494 JTDOTISFXDULJW-UHFFFAOYSA-N 364.405 1.330 0 40 FDAB CCc1nn2c(=O)cc(COC(=O)c3[nH]nc4c3CCCC4)nc2s1 32809877 YHGHORKLEQLMKL-UHFFFAOYSA-N 359.411 1.672 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCc2nnnn2Cc2ccccc2)s1 23192133 MKNQVCSVYVNVCX-UHFFFAOYSA-N 371.422 1.565 0 40 FDAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CCO)cc1 23640303 JZRGHWFEQCUHQC-SJORKVTESA-N 351.443 1.840 0 40 FDAB Cc1cc(C)nc(SCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 23640778 VKYAWRBNHDBEJX-HNNXBMFYSA-N 350.488 1.509 0 40 FDAB CCOc1ccc(/C=C/C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 42731855 BVVJUNIFERKODJ-FMIVXFBMSA-N 370.453 2.000 0 40 FDAB Cn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 61717744 FMZYKPILOLWHOX-CQSZACIVSA-N 361.467 1.123 0 40 FDAB COCCn1ccc(NC(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)n1 96013201 DWXIOOHZNJWOJN-UHFFFAOYSA-N 372.389 1.466 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccncc1 6957496 GZMFJMYZVZLPNE-LLVKDONJSA-N 353.831 1.718 0 40 FDAB COc1cccc(CC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 3234693 IPJIFVMUISEEQS-UHFFFAOYSA-N 357.362 1.826 0 40 FDAB O=C(NCCC(=O)N1CCN(C[C@H]2CCCO2)CC1)Nc1ccccc1 22090488 RVEXDZYWFPBGBX-QGZVFWFLSA-N 360.458 1.521 0 40 FDAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(c2ccccc2)C1 52412173 RXNVVCLIUDPPOD-ZDUSSCGKSA-N 364.357 1.836 0 40 FDAB CCN(CC)C(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1 21323039 URJGJTXPVMCNSV-UHFFFAOYSA-N 364.515 1.787 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(Br)o1 3348399 YYYICIRYHBALRZ-WVXIBAHESA-N 359.176 1.833 0 40 FDAB CC(C)C[C@H](NC(=O)NCC(=O)N[C@@H]1CCCc2ccccc21)C(=O)O 12865711 YFUIMRJZDYYMSB-CVEARBPZSA-N 361.442 1.979 0 40 FDAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc2[nH]c(=O)[nH]c2c1 12816920 VHGIVKZTHHLECT-UHFFFAOYSA-N 350.338 1.873 0 40 FDAB O=C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 3436448 NOGNKVBQKUISOM-UHFFFAOYSA-N 350.440 1.666 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)N1 12940349 VQSCMAOABMCXGY-UHFFFAOYSA-N 356.407 1.624 0 40 FDAB O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)NCc2ccc(Cl)cc2)N1 13608608 OPAWKRDPDFMHHA-QWHCGFSZSA-N 367.858 1.136 0 40 FDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(Cc2ccc(Cl)s2)CC1 96316705 STZFZYNFDBFENU-NSHDSACASA-N 370.906 1.896 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnccn3)CC2)cc1 14158316 QHYBOYCSUBWVMU-UHFFFAOYSA-N 360.439 1.368 0 40 FDAB C[C@@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(SCC(N)=O)n1-3 5477795 USQWHUOZHRRGCG-SSDOTTSWSA-N 373.467 1.907 0 40 FDAB C[C@H](SC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1)C(N)=O 6589023 VZLDQDSZUGSXCK-UFZXGQNFSA-N 363.446 1.257 0 40 FDAB O=C1CC[C@@H](C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)N1 19800331 JJUZLNXUXCBRFU-HNNXBMFYSA-N 353.378 1.618 0 40 FDAB CCN1CCN(C(=O)CC2CCN(C(=O)Cc3ccccc3O)CC2)CC1 66651342 VWEIUUCSSJGZKK-UHFFFAOYSA-N 373.497 1.728 0 40 FDAB CC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C 6846818 PYFSVLKLSUNUKF-INIZCTEOSA-N 367.471 1.570 0 40 FDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)C1=O 6881803 LZKIQCCQVRQBQB-MRXNPFEDSA-N 374.426 1.462 0 40 FDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 9503205 OUSZOGHHRMPUAC-VIFPVBQESA-N 373.374 1.393 0 40 FDAB COc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C(N)=O)cc2)c1 7467557 NMMIJIPKKCGAJB-UHFFFAOYSA-N 371.393 1.270 0 40 FDAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 68441225 DAENSWZGFANEMY-BZSNNMDCSA-N 368.437 1.958 0 40 FDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C 7781480 JATYLLXWKXAPMC-NSHDSACASA-N 358.826 1.877 0 40 FDAB O=C1CCc2cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc2N1 9870986 MUFBASJKKHASGA-ZDUSSCGKSA-N 373.438 1.712 0 40 FDAB Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cnc1Cl 84101610 IWIXMTVOKXACSV-CYBMUJFWSA-N 353.831 1.418 0 40 FDAB CC(C)n1cnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 9114551 OPUKRODDNLYOOD-UHFFFAOYSA-N 365.459 1.139 0 40 FDAB C[C@@H](c1nc(-c2cccnc2)no1)N1CCN([C@H](C)C(=O)NC2CC2)CC1 97127748 IUWNKJUJYZMMCU-KGLIPLIRSA-N 370.457 1.477 0 40 FDAB Cc1ccc2nc(CN3CCN(Cc4noc(C)n4)CC3)cc(=O)n2c1 95959677 ZEBCLEZELHDYQH-UHFFFAOYSA-N 354.414 1.012 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(NCC3CC3)ncn2)CC1 89927896 JCBMKYGAQUDBLW-MRXNPFEDSA-N 372.517 1.822 0 40 FDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Br)cc1 22809440 ZXKGKYXJKUEQAC-LBPRGKRZSA-N 356.220 1.136 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cc4cccc(F)c4)CC3)c2n1 72335976 LSUIAOQFYBAPGW-UHFFFAOYSA-N 370.388 1.781 0 40 FDAB O=C(/C=C/c1ccc(O)cc1)N[C@@H](CC[n+]1cccc(C(=O)O)c1)C(=O)O 77257587 MAGGNDAVKNPXCA-INIZCTEOSA-O 371.369 1.051 0 40 FDAB biogenic,in-vitro CC(C)C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)C(=O)N(C)C 40114351 ZGNRASDRVVSVML-AWEZNQCLSA-N 361.442 1.994 0 40 FDAB Cc1cc(CNC(=O)Cn2cc(COc3ccc(F)cc3)nn2)n(C)n1 227161366 KMNCGZDEMRHESH-UHFFFAOYSA-N 358.377 1.355 0 40 FDAB COCCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225738007 UMRJJEMWXFOYEY-UHFFFAOYSA-N 353.216 1.917 0 40 FDAB O=C(CSCc1ccccc1)NCCn1nnc2ccccc2c1=O 225796937 YLAODRXZXGCQQO-UHFFFAOYSA-N 354.435 1.841 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)cc1 90583837 ICVIESWHLUAWNX-UHFFFAOYSA-N 354.410 1.831 0 40 FDAB CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96216234 HGWZOUOININVLX-CGTJXYLNSA-N 353.426 1.233 0 40 FDAB COc1ccc2[nH]cc(CCNC(=O)Cn3c(C)cc(O)cc3=O)c2c1 96222257 OIGFBSYCRSUDGB-UHFFFAOYSA-N 355.394 1.711 0 40 FDAB biogenic CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1ccsc1)C2 96230500 BBTWHOXPCLSRCH-GOSISDBHSA-N 356.451 1.706 0 40 FDAB CN1CCN(C[C@@H]2CO[C@]3(CCCN(C(=O)c4ccncc4)C3)C2)CC1 96228465 CFZBLXZUBZATMS-YLJYHZDGSA-N 358.486 1.340 0 40 FDAB O=C1COC2(CCN(C(=O)C3CC=CC3)CC2)CN1Cc1cccnc1 96159095 IMSRNTKXPVYKCT-UHFFFAOYSA-N 355.438 1.768 0 40 FDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 248319123 PSTXTNUXOQBKLG-QOKNQOGYSA-N 359.426 1.800 0 40 FDAB Cn1ccc(NC(=O)CN2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 257340438 ZGCVVFBIKRCXRN-GOSISDBHSA-N 362.405 1.404 0 40 FDAB COc1ccccc1C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(N)=O 257220813 DMGKRMPMGZOYEH-QGZVFWFLSA-N 353.422 1.507 0 40 FDAB Cc1noc([C@@H]2CN(C(=O)C3=NNC(=O)CC3)C[C@H]2c2ccccc2)n1 253472928 QQZLAWOAKWWQQD-UONOGXRCSA-N 353.382 1.354 0 40 FDAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)[C@H]1O 257265486 LYVSNDXCDYBQDC-GUDVDZBRSA-N 362.470 1.819 0 40 FDAB CCc1nccn1CCC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257310104 UDRUYDAHSCIFOR-AWEZNQCLSA-N 359.430 1.049 0 40 FDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCCC[C@@H](O)C1=O 644283699 CAWQPHPYZAKWSD-QGZVFWFLSA-N 356.426 1.204 0 40 FDAB CO[C@H](CS(=O)(=O)Nc1noc(-c2ccccc2F)n1)[C@H]1CCOC1 656734384 LOGVKDVYMZGZQC-GXFFZTMASA-N 371.390 1.669 0 40 FDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1C 663057580 SINOUSKURFZFLU-RRFJBIMHSA-N 351.424 1.117 0 40 FDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCO[C@H](C(=O)O)C2)c1 666516427 SQZCKVJMQOGKBU-DOMZBBRYSA-N 363.414 1.210 0 40 FDAB C[C@H](NCCCN(CCCN)CCN(C)C)c1cccc([C@@H](C)O)n1 68606233 RKLOQNYOPIWXFS-DLBZAZTESA-N 351.539 1.388 0 40 FDAB biogenic Cn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21 96345241 NBSDBHITQLRGPM-UHFFFAOYSA-N 365.437 1.715 0 40 FDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H]([C@H]2C[C@H](N)CCO2)C1 652165984 GFYLVKFYMQRQLX-ZHCJQAHYSA-N 355.479 1.108 0 40 FDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(C)nc1-c1ccc(F)cc1 585294829 KQRHUAIHVQTTRT-LULLPPNCSA-N 363.433 1.149 0 40 FDAB COc1ccccc1-c1ccc(CN2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1 585168403 VZUOSAWQGWLPFR-IBGZPJMESA-N 367.449 1.880 0 40 FDAB Cc1noc([C@H]2CN(C3CN(C(=O)c4cc(C5CC5)on4)C3)CCO2)n1 685941916 JJBDWHFBOYAYBC-OAHLLOKOSA-N 359.386 1.141 0 40 FDAB C[S@](=O)CCN1CCN(C(=O)c2ccccc2Br)CC1 76020582 LOFFRTAXLSSQTO-HXUWFJFHSA-N 359.289 1.585 0 40 FDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 97021209 VCIBVDRHNWGFHE-OAHLLOKOSA-N 367.475 1.041 0 40 FDAB O=C(c1ccc2oc(O)nc2c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 517050059 YTYCJDKGLXZBOX-JSGCOSHPSA-N 350.396 1.715 0 40 FDAB Cn1nccc1[C@@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CCO1 1262292385 VPOSWEPNYIDULT-HIFRSBDPSA-N 360.418 1.259 0 40 FDAB O=C(Cn1nc(-c2ccncc2)oc1=O)N1CCN(c2ccccc2)CC1 12115887 PMCQRXISPIHJJG-UHFFFAOYSA-N 365.393 1.247 0 40 FDAB CCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)cc1 15936108 NFNGAHNNJZWFAO-VWLOTQADSA-N 361.423 1.806 0 40 FDAB C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCCC1 19078105 BJSZUBFXLSYPEK-OAHLLOKOSA-N 357.502 1.703 0 40 FDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCn1nnnc1C 19130380 DENAAACGXCFPEL-GXTWGEPZSA-N 352.402 1.011 0 40 FDAB CC(C)n1nnc(CC(=O)NCC2(c3ccccc3F)CCOCC2)n1 19455039 YSRAJMCHRCIVMI-UHFFFAOYSA-N 361.421 1.800 0 40 FDAB C[C@]1(CNC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CCCO1 19749446 ZAPFAYDNXLHHSK-LJQANCHMSA-N 374.416 1.889 0 40 FDAB C[C@H](NC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O)c1ccccn1 19750622 GUUDYHJEZSVFIW-ZDUSSCGKSA-N 354.410 1.261 0 40 FDAB COC[C@]1(C(N)=O)CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 643826812 VTTQENSWFXGWGZ-INIZCTEOSA-N 350.806 1.856 0 40 FDAB COc1ccc(NC(=O)C(=O)NCC2CCN(C(C)C)CC2)cc1OC 12441402 HUZHHLVFRBBCGN-UHFFFAOYSA-N 363.458 1.879 0 40 FDAB CCc1nc(CNC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)n[nH]1 563341308 DLRIJGNEZJUYKJ-SFHVURJKSA-N 355.398 1.687 0 40 FDAB CCc1ncnc(N2C[C@H]3CN(c4nc(COC)ns4)C[C@@H]3C2)c1F 1888863507 HKQRAVARWDWDPE-QWRGUYRKSA-N 364.450 1.749 0 40 FDAB O=S(=O)(CCC(F)(F)F)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888864377 ZDTIBEKIPSPORD-QWRGUYRKSA-N 350.366 1.127 0 40 FDAB Fc1cncnc1N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888882270 PLBNAEZYNRTJEM-LLVKDONJSA-N 355.377 1.836 0 40 FDAB COC[C@H](C)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O 16694973 HJZQTORYHSMTCS-QWRGUYRKSA-N 353.806 1.648 0 40 FDAB CC(C)c1n[nH]c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n1 16826702 VLIHEJMPUYOZPE-SECBINFHSA-N 369.472 1.695 0 40 FDAB CNC(=O)NC(=O)[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 23717880 GXDSCCPRBKSWLV-PBHICJAKSA-N 355.394 1.613 0 40 FDAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 25099952 DRSFGUKYQBMZOO-CPUCHLNUSA-N 366.483 1.213 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(COc2cccc(F)c2)c1 26010081 CIFSSMFBIDQBPH-UHFFFAOYSA-N 369.352 1.893 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(N2C(=O)COC2=O)CC1 244975084 IARWMIKPHOLGSG-UHFFFAOYSA-N 368.411 1.136 0 40 FDAB CN(C)CC(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037840113 HGVQTZAFPQDJSF-IBGZPJMESA-N 363.433 1.502 0 40 FDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@@H]32)cs1 2056224830 YCNKCPGAEKZYAZ-GJZGRUSLSA-N 362.430 1.711 0 40 FDAB Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)C2CC(C)C2)C3)cn1 1614932287 ARWALJDZWFXFAD-OGCXIMQWSA-N 372.469 1.455 0 40 FDAB O=C(c1cc[nH]c1)N1CCc2ccc(OCCN3CCOCC3)nc2CC1 1565545920 OROCYRQVYMBGHS-UHFFFAOYSA-N 370.453 1.362 0 40 FDAB COc1cc(C(=O)N2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)on1 1565554345 PFAQICXTVISODP-ARFHVFGLSA-N 373.409 1.915 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)cc3)ccc2c1=O 4791800 OKBNWSFXZVIUNR-UHFFFAOYSA-N 369.377 1.597 0 40 FDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(OC)c2)CC1 2055747263 QUSJHGJYINRXBJ-UHFFFAOYSA-N 357.458 1.621 0 40 FDAB O=C(NC1CCC1)c1nnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 2055845164 AOONOVXOSWCLEQ-UHFFFAOYSA-N 353.373 1.338 0 40 FDAB O=S(=O)(NCc1nccnc1-c1ccncc1)c1ccc2c(c1)CCO2 585150646 HQEYWGXQZJDBQN-UHFFFAOYSA-N 368.418 1.952 0 40 FDAB CCSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 4959707 UKDRKKLGRQPJRS-UHFFFAOYSA-N 350.400 1.734 0 40 FDAB COCCNC(=O)Cn1c(CO)cnc1SCc1ccc(F)cc1 9827558 VMWVPTOKLAXZDR-UHFFFAOYSA-N 353.419 1.569 0 40 FDAB O=C(CNC(=O)c1ccc(Br)o1)NCCCn1cccn1 30169446 PMURBHFCSCKLIR-UHFFFAOYSA-N 355.192 1.175 0 40 FDAB CCOC(=O)c1sc(C)c2c(=O)n(CCCN3CCOCC3)cnc12 20025674 JBRNFVLHTIUMCO-UHFFFAOYSA-N 365.455 1.665 0 40 FDAB O=C(Cn1nnc2ccccc21)NCCC(=O)N1CCCc2ccccc21 40122572 DCBMMJYJWCEUBT-UHFFFAOYSA-N 363.421 1.917 0 40 FDAB C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(S(C)(=O)=O)cc1 31497620 YFWKCWJNLGOLDQ-GFCCVEGCSA-N 371.422 1.557 0 40 FDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 20762905 LOTQOMOEKPMTDI-MEDUHNTESA-N 358.398 1.637 0 40 FDAB biogenic CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccncc2)c2cc(Cl)ccc21 101432760 INQBDRMWOBTROA-OAHLLOKOSA-N 372.812 1.575 0 40 FDAB CCCCC[C@@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21197838 WEGMQXIEZKTMTE-CHWSQXEVSA-N 357.476 1.237 0 40 FDAB CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O 32895053 AXDPRSUYTVDKLD-UHFFFAOYSA-N 367.500 1.889 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815984 PTZANUQJSGJXHD-OLZOCXBDSA-N 356.444 1.609 0 40 FDAB COC(=O)c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 32956359 XVTGHDCYZYPIMJ-UHFFFAOYSA-N 371.349 1.669 0 40 FDAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)cc1 33018720 RTMXUZOJZIOMAB-KRWDZBQOSA-N 372.421 1.680 0 40 FDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)NC3CCCC3)CC2)c1C 22804720 WWDYQQXFWUPCJZ-UHFFFAOYSA-N 372.513 1.918 0 40 FDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cccc(Cl)c1 22913260 MTEKVLZIAHLZHL-UHFFFAOYSA-N 350.850 1.175 0 40 FDAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCCC2)nc1 42497355 FOJJUHBWCOZQQN-ZDUSSCGKSA-N 354.476 1.016 0 40 FDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 23376366 JOUVREDQWRPAOM-MRXNPFEDSA-N 358.467 1.802 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)N1CCN(Cc2ccccc2)CC1 24001833 USECVQYGSLFBMQ-UHFFFAOYSA-N 368.462 1.802 0 40 FDAB COCc1nc2[nH]c(=O)c3c(n2n1)NC(=O)C[C@@H]3c1ccc(SC)cc1 61717953 KHZVMUFDDULIPC-LLVKDONJSA-N 371.422 1.760 0 40 FDAB CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3189725 MQZIHJVWRAGGLW-GFCCVEGCSA-N 368.484 1.713 0 40 FDAB COc1ccc(CCNC(=O)Cn2nnc(-c3ccncc3)n2)cc1OC 1223059 YDEAKCFYIKOKAJ-UHFFFAOYSA-N 368.397 1.111 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)NCCc3ccccc3)cnc21 4101426 OHXGHIMHKYBRAN-UHFFFAOYSA-N 353.426 1.707 0 40 FDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6778969 LWOCUOHZYFVZAW-CQSZACIVSA-N 354.472 1.931 0 40 FDAB O=C(Nc1cccc(-c2nnco2)c1)N1CCN(c2ncccn2)CC1 44087398 SYQGVWGQERFQIS-UHFFFAOYSA-N 351.370 1.881 0 40 FDAB COC(=O)C1(NC(=O)CCNC(=O)OCC(F)(F)F)CCC(C)CC1 57232720 VPWGPVNBFHZUQW-UHFFFAOYSA-N 368.352 1.903 0 40 FDAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CC 108381485 LJEMFLSJIDXVJB-CHWSQXEVSA-N 370.471 1.876 0 40 FDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 12545880 UYRJCTDMWYQKTF-OAHLLOKOSA-N 365.393 1.525 0 40 FDAB CCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 105041311 ZUTJBAYPQHVYSN-UHFFFAOYSA-N 352.456 1.718 0 40 FDAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c(OC)c1 22274468 ARSHOFUABDTWRQ-UHFFFAOYSA-N 350.396 1.384 0 40 FDAB C[C@@H](NC(=O)c1cc(F)ccc1Br)C(=O)N1CCOCC1 58341852 JBWAEGGGBGYTSA-SECBINFHSA-N 359.195 1.565 0 40 FDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1nccs1 36359778 VEDACCIENRNUEQ-UHFFFAOYSA-N 356.367 1.128 0 40 FDAB C[C@@]1(c2ccco2)NC(=O)N(CCCN2C(=O)c3ccccc3C2=O)C1=O 45540463 BOSDDBOHPWDGQA-IBGZPJMESA-N 367.361 1.733 0 40 FDAB C[C@@H]1CN(c2ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cc2F)C[C@@H](C)O1 46070133 JISBPQXXFOOVMT-IJLUTSLNSA-N 358.435 1.811 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCN3CCCCC3)n2)cc1OC 12409330 UPXGTXHGINOVJL-UHFFFAOYSA-N 360.414 1.970 0 40 FDAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12612430 VZANXOWQDCJGTI-CJNGLKHVSA-N 356.513 1.751 0 40 FDAB COc1cccc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c1 104279901 MDWDMHAQRUPRNF-MRXNPFEDSA-N 355.398 1.221 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccs1 60060120 OZRSEZWMPWSQDE-UHFFFAOYSA-N 358.466 1.408 0 40 FDAB CC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3433963 ZNCKEYQMBVOYNS-UHFFFAOYSA-N 368.455 1.400 0 40 FDAB CCN1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@H]23)CC1 22457081 RZJXEISZQFKAGA-FIAZYZPESA-N 362.514 1.909 0 40 FDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ccccc1 3418363 LKPAEKSKSXKYCY-AWEZNQCLSA-N 371.462 1.863 0 40 FDAB O=C(COc1ccccc1)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 5094270 AWIAEBGVQLDPDQ-UHFFFAOYSA-N 371.412 1.670 0 40 FDAB CC(C)C[C@@H](CO)NC(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 13724255 XGDHPVBDCXKSNW-NSHDSACASA-N 371.484 1.805 0 40 FDAB CN(C)C(=O)[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 5185606 HMFQCXOVMYLPEF-SFHVURJKSA-N 365.389 1.838 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 4305847 HAJFORXNMIYQPX-IBGZPJMESA-N 372.425 1.612 0 40 FDAB COc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1F 21933143 IGCFXHRHMJEHEF-UHFFFAOYSA-N 373.402 1.232 0 40 FDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1COc2ccccc2O1 14140353 BQAJOYFLXFYRNE-CYBMUJFWSA-N 361.419 1.968 0 40 FDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NC1CCCCCC1 6653552 CYMZBNGITBNXEP-UHFFFAOYSA-N 357.410 1.779 0 40 FDAB NC(=O)Cc1csc(NC(=O)CCNC(=O)NC2CCCCC2)n1 14900214 PKYNJEOTMAUWKR-UHFFFAOYSA-N 353.448 1.131 0 40 FDAB CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2C)CC1 4863531 BWEXIYBFNOYFJB-UHFFFAOYSA-N 363.410 1.719 0 40 FDAB CCN1CCN(CCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 97139908 FXSGUEFGLCEDJB-VGOFMYFVSA-N 357.907 1.868 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCO1 5860348 LEESMVDILZIQFY-MRXNPFEDSA-N 368.455 1.987 0 40 FDAB CCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 9503107 CQCZISLIHMXAFU-UHFFFAOYSA-N 358.398 1.795 0 40 FDAB O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccccc2)CC1 17972056 FAJXQLQTDNSYJS-UHFFFAOYSA-N 354.439 1.794 0 40 FDAB C[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCOCC1)N1C(=O)CCC1=O 83967318 BJXNHOJZMFMOCH-ZDUSSCGKSA-N 362.401 1.528 0 40 FDAB NS(=O)(=O)CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 84576832 BZFIGVPOHIJAIH-UHFFFAOYSA-N 350.465 1.922 0 40 FDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 85601214 OVUBXQZYPLZIFE-MELADBBJSA-N 367.405 1.702 0 40 FDAB C[C@@]1([C@@H]2CCCN(C(=O)CCn3ccc4ccccc43)C2)NC(=O)NC1=O 75094524 MNEUGXKWJBQOPC-QRWLVFNGSA-N 368.437 1.868 0 40 FDAB CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 554306605 MWGJBRXGUOSMTA-GJZGRUSLSA-N 361.508 1.257 0 40 FDAB COCCn1ccc(=O)c(OCC(=O)NCc2ccccc2OC)c1C 524734289 QOVBJGHHQJJTJC-UHFFFAOYSA-N 360.410 1.507 0 40 FDAB CC(=O)O[C@H]1CN2C(=O)OC[C@@H]2[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O 139799732 MQRAYGYYYPMEKX-YYIAUSFCSA-N 363.366 1.270 0 40 FDAB Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 224040532 UEAKRRLYFYLZKW-OAHLLOKOSA-N 354.472 1.470 0 40 FDAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 222643686 LTIKPELIBGEGPL-UHFFFAOYSA-N 354.457 1.874 0 40 FDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 223308686 BAZUOKXTVUDXTQ-UHFFFAOYSA-N 360.435 1.905 0 40 FDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)C1 330680778 FZNIEJSXTZYJSR-WCQYABFASA-N 357.480 1.708 0 40 FDAB O=C(COCc1nnn2c1CN(Cc1ccoc1)CCC2)N1CCCC1 96259006 PYFRGLRJBNHDKT-UHFFFAOYSA-N 359.430 1.416 0 40 FDAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3cc(C)on3)C2)C1 96228498 AHEOFIPOVAIDGA-YJBOKZPZSA-N 351.447 1.573 0 40 FDAB Cc1csc(N2CCN(C(=O)NCC3(N4CCOCC4)CC3)CC2)n1 333044667 PGKOLXNIRVOFKZ-UHFFFAOYSA-N 365.503 1.148 0 40 FDAB COc1c(C(=O)Nc2cccc(C(N)=O)c2)nnn1Cc1ccccc1 96183449 JIHDBFXULBDPRW-UHFFFAOYSA-N 351.366 1.686 0 40 FDAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(Cc4ccncc4)C3)C2)nn1 96240565 SNPYKHLKJHRBOP-AZUAARDMSA-N 369.469 1.900 0 40 FDAB NC(=O)COc1cccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 503094009 NBTPNPDDVKKXFL-UHFFFAOYSA-N 364.361 1.966 0 40 FDAB Cc1cc(CN2Cc3ccnn3[C@@H](COCC(=O)N3CCCC3)C2)no1 247889301 FLPAEVKXPNKGSD-QGZVFWFLSA-N 359.430 1.375 0 40 FDAB Cc1ccsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 248001756 AQYCWVSNLVWBGH-IIAWOOMASA-N 360.483 1.667 0 40 FDAB CC(=O)N1CCC(C)(c2cc(C(=O)NC3CCOCC3)nc(C)n2)CC1 257272473 NCOCREMWKHDSIH-UHFFFAOYSA-N 360.458 1.594 0 40 FDAB Cc1nc([C@@H]([C@@H]2CCCNC2)n2cc(C(=O)O)ccc2=O)sc1CO 257240534 HTZJRSXTIQTNCR-IAQYHMDHSA-N 363.439 1.393 0 40 FDAB Cc1nc2cc(CCC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc2[nH]1 257245629 IQJMAWUZNVJCCG-YVWKXTFCSA-N 372.469 1.144 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1 257219005 DFFVINDHTCFWQI-QUCCMNQESA-N 373.497 1.775 0 40 FDAB NCC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1 257240519 HTXKPABJKPWRAR-UHFFFAOYSA-N 367.453 1.859 0 40 FDAB CN1C[C@H]2C[C@@]2(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260832578 KPKGGLGYPLCSKE-MEBBXXQBSA-N 354.453 1.153 0 40 FDAB CCc1ncnc(N[C@]23CC[C@H]2CN(C(=O)c2cncnc2C)C3)c1F 1615057638 VIFWYCJZPUTSLH-SGTLLEGYSA-N 356.405 1.993 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 298096144 OVHRWTBCATVDCD-LUVWLHFXSA-N 368.389 1.284 0 40 FDAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1CCc2ncncc2C1 649248868 BPYHLHQSVPCITF-CYBMUJFWSA-N 355.394 1.647 0 40 FDAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](OC2CCC2)C1 654557241 QHWHDJPPUIWPFW-IMJJTQAJSA-N 373.519 1.447 0 40 FDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c2ncccc12 654772494 VJVBXBFXJPYKOL-GFCCVEGCSA-N 350.396 1.871 0 40 FDAB CN1C[C@@H](NC(=O)C2(Oc3ccccc3F)CC2)[C@H](c2cncn2C)C1 1775960022 NRSJZZAGBNOUHU-UKRRQHHQSA-N 358.417 1.685 0 40 FDAB CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1 1775996362 DMNNQIYGJQXSJG-LREFGLRZSA-N 374.441 1.332 0 40 FDAB CC(C)N1CCC(C(=O)N2CCN(c3ccccc3)[C@H](C(=O)O)C2)CC1 95524225 CBCDWALEYZJEOG-SFHVURJKSA-N 359.470 1.909 0 40 FDAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-n2cncn2)nn1 96097893 UPYNTLLDQWTINF-UHFFFAOYSA-N 350.367 1.828 0 40 FDAB O=S(=O)(N1CC2(C[C@H](OCc3cccnc3)CCO2)C1)C(F)(F)F 575404561 OCYVNHMDOBKGFZ-GFCCVEGCSA-N 366.361 1.681 0 40 FDAB CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)O2)CC1 661071336 HGCGIFPJJRCXEH-HIFRSBDPSA-N 361.508 1.446 0 40 FDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21 585112334 NFUPOZJJZWYTNZ-INIZCTEOSA-N 366.462 1.909 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1)N1CCOCC1 585099153 QIBHMCZMOZZKQA-GOSISDBHSA-N 361.486 1.595 0 40 FDAB Cc1snnc1C(=O)N1CCOC[C@@H]1c1nccc(N2CCCCC2)n1 585113156 PTIUOSXGYSTSEE-CYBMUJFWSA-N 374.470 1.841 0 40 FDAB O=C(CCCc1cn[nH]c1)N1CCOC[C@](O)(COc2ccccc2)C1 585273985 XTKYISVDWQAWKZ-IBGZPJMESA-N 359.426 1.401 0 40 FDAB CC(C)C[C@@H](NC(=O)CCCCC(=O)N[C@H](CC(C)C)C(=O)O)C(=O)O 5633095 UQZBADFHPYULOV-ZIAGYGMSSA-N 372.462 1.778 0 40 FDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cccnc3)CC1)CNC2=O 12225899 PXVMMAZHRXCEEE-UHFFFAOYSA-N 367.405 1.887 0 40 FDAB COCc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C)cc4)CO[C@@H]32)nn1 15709235 XZMULISPAKEMLW-YLFCFFPRSA-N 374.397 1.689 0 40 FDAB biogenic,in-vitro CN(C)c1ncc(CN2CC[C@H](C(=O)NCCc3ccccc3)C2)cn1 19748158 UURRFNOEOZTEQU-SFHVURJKSA-N 353.470 1.723 0 40 FDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 19749056 YRNPQQBNUCCPIX-AWEZNQCLSA-N 356.430 1.252 0 40 FDAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 169313928 ISDWVUPBHPGSMC-DEXNDLTESA-N 370.430 1.692 0 40 FDAB CCn1ncc(S(=O)(=O)Nc2ccc3c(c2)nc(C)n3CCO)c1C 12143853 RVHNFOTYTWZJDL-UHFFFAOYSA-N 363.443 1.663 0 40 FDAB COc1ccnc(N2C[C@@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)n1 1888850110 PWSKDRFZHHHKCP-KBPBESRZSA-N 357.414 1.227 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888913316 LKCNOROQBZYVKT-BETUJISGSA-N 370.434 1.646 0 40 FDAB Cc1cc(=O)n(C2CCCC2)c2nc(=NCCN3CCOCC3)[nH]cc12 1889098436 OAHFBPXIMONJRS-UHFFFAOYSA-N 357.458 1.381 0 40 FDAB COc1ccc(OC)c([C@H]2CCCN2C[C@@H](O)CN2CCOCC2)c1 25233064 QTZHNTONJKXWAH-MAUKXSAKSA-N 350.459 1.534 0 40 FDAB Cn1cc(C(=O)N2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037984442 BNNYIBJXLFJZRP-IBGZPJMESA-N 354.410 1.316 0 40 FDAB C[C@@]1(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)CC=CCC1 1565546230 XDQWNEKAVVXFCK-NVXWUHKLSA-N 370.515 1.822 0 40 FDAB Cc1cccc(Cn2c(SC[C@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)c1 839488 LLZLKHRQUWGUCX-NSHDSACASA-N 360.439 1.253 0 40 FDAB CC(=O)[C@H](C)n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4370691 SYDQGCRNJOHKJQ-NSHDSACASA-N 365.393 1.503 0 40 FDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccs3)nc21 4338401 OWLIDKZZXQRXRH-UHFFFAOYSA-N 367.390 1.945 0 40 FDAB COC(=O)c1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346925 BKNJAFKYTIGCPL-MRXNPFEDSA-N 367.361 1.717 0 40 FDAB CN([C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)S(=O)(=O)C1CC1 2086886985 LTMNFZPUDGKPCG-SNVBAGLBSA-N 364.393 1.888 0 40 FDAB O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccccc2F)on1 38754202 LRESOUYGIONZQY-UHFFFAOYSA-N 358.329 1.037 0 40 FDAB CCN1CCN(C(=O)N2CC[C@@H](c3ccc4c(c3)CCO4)C2)C(=O)C1=O 585149116 YSCZEJBMIXHBRH-OAHLLOKOSA-N 357.410 1.222 0 40 FDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)CSc2ccc(F)cc2)C1 585322736 BVAUIGPJNMXWNJ-UHFFFAOYSA-N 369.443 1.336 0 40 FDAB O=C(Cc1cccnc1)N1CCC(n2nnc3ccsc3c2=O)CC1 390831931 WBDBQADTMDKOOI-UHFFFAOYSA-N 355.423 1.654 0 40 FDAB Cn1cnc2c(N3CCC[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2298047897 RUINLESLUWUGOO-GFCCVEGCSA-N 364.400 1.837 0 40 FDAB O=C1NC2(CCOCC2)C(=O)N1Cc1cn(Cc2ccccc2F)nn1 2298053047 CPTZLONEUNTXSS-UHFFFAOYSA-N 359.361 1.067 0 40 FDAB O=c1c(Cl)c(N2CCN(CCO)CC2)cnn1-c1cccc(Cl)c1 20030774 LVZHJEKNBHMANV-UHFFFAOYSA-N 369.252 1.654 0 40 FDAB Cn1cc(-c2nc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)cs2)cn1 40145644 XEQMAZMSBWOXOT-CYBMUJFWSA-N 369.454 1.732 0 40 FDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 30848401 GMBTYIBIZZKJHZ-CYBMUJFWSA-N 366.414 1.138 0 40 FDAB O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31285021 GMJOGRLLDMNFOS-OAHLLOKOSA-N 365.393 1.525 0 40 FDAB O=C(Cn1ccc2cc(Br)ccc21)N[C@H]1C=CS(=O)(=O)C1 20722339 SXUCLHLYQYBSCZ-LBPRGKRZSA-N 369.240 1.831 0 40 FDAB CCn1c([C@@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)nc2ccccc21 101680149 YHHGXBLLRBJHTB-DOMZBBRYSA-N 364.471 1.657 0 40 FDAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102232273 IWHOIHUIJSXKEG-IYBDPMFKSA-N 372.421 1.906 0 40 FDAB Cc1cc(N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)nc(C)n1 32923685 VZKKCUFDTYEEJI-UHFFFAOYSA-N 353.492 1.192 0 40 FDAB C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C[C@H](C)O1 24975081 OWPBXDYCHSNQPD-KBPBESRZSA-N 369.487 1.062 0 40 FDAB CCOC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc(C(N)=O)c1C 3645266 WFDJARUSZULKLY-UHFFFAOYSA-N 374.382 1.022 0 40 FDAB COc1ccc(CCN2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1OC 25305378 KARXPQZXEMPXDH-CQSZACIVSA-N 372.425 1.467 0 40 FDAB CN(Cc1nc2ccccc2s1)C(=O)C1CCN(S(C)(=O)=O)CC1 25450787 DKJJHCUJEKBRBE-UHFFFAOYSA-N 367.496 1.926 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(OCCOC)nc1 56869181 XWWXEHLTQHKPHA-ZDUSSCGKSA-N 352.435 1.211 0 40 FDAB COc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cn1 8133711 MEPZHECNRSEFQC-UHFFFAOYSA-N 360.395 1.158 0 40 FDAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 9064319 DDUIQDHOLBRCFV-UHFFFAOYSA-N 354.863 1.841 0 40 FDAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@@H]1CC(=O)N(c2ccccc2)C1 58283421 LXPFGLCLBHCCDN-HUUCEWRRSA-N 354.410 1.911 0 40 FDAB O=C(Nc1cccnc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44903666 FHWHFGRMGHVSMX-KRWDZBQOSA-N 354.410 1.673 0 40 FDAB CCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 28238417 FGBAYYPTMDAYHM-HNNXBMFYSA-N 357.428 1.714 0 40 FDAB CCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCN(C)CC1 21595972 PIPFAYQVSASZHB-UHFFFAOYSA-N 364.471 1.448 0 40 FDAB CCCNc1nnc(S(=O)(=O)[C@H](C)C(=O)NC2CCCCC2)s1 61042146 NRYBISFPMMIZMW-SNVBAGLBSA-N 360.505 1.971 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(Cc2nccs2)C1 12203745 FJKOXGVAOMVPOO-ZDUSSCGKSA-N 369.454 1.970 0 40 FDAB NC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 58154640 AQORPYNYBIPXHH-UHFFFAOYSA-N 367.405 1.408 0 40 FDAB CN1CCN(C(=O)c2nnc3sc(-c4cccc(Cl)c4)nn23)CC1 57354678 FDDWOIHZHKSBEW-UHFFFAOYSA-N 362.846 1.894 0 40 FDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 61722027 HVTLHFHZUTYZJG-JKSUJKDBSA-N 360.410 1.416 0 40 FDAB C[C@H](CNC(=O)Nc1nc(CS(C)(=O)=O)no1)N(C)c1ccccc1 95460796 ZEMNWLZVHGSIJH-LLVKDONJSA-N 367.431 1.261 0 40 FDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NCc1ccccc1 3318321 FCRLDMMTMUCHRM-FQEVSTJZSA-N 365.389 1.533 0 40 FDAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)NCCNc1ncccn1)(C3)C2 101468747 SECUQNAXJWYJSY-QAQJPARQSA-N 357.458 1.480 0 40 FDAB CN1CC(=O)N(CCCC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 48302240 HJGNIXGAKDHMPZ-UHFFFAOYSA-N 355.398 1.163 0 40 FDAB CC1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 10112517 ZFLWZQHFZHGVIM-UHFFFAOYSA-N 353.488 1.910 0 40 FDAB COCCNC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10361457 ACVMYRVOWLGMIJ-JTQLQIEISA-N 364.851 1.266 0 40 FDAB CCCCNS(=O)(=O)c1cccc(NC(=O)CN2CCSC2=O)c1 12893532 INADGPHNLIOMNW-UHFFFAOYSA-N 371.484 1.872 0 40 FDAB NC(=O)c1cccc(CCNC(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 178886155 RMKSORUCANMOOO-HKUYNNGSSA-N 370.497 1.986 0 40 FDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC[C@@H](CO)C2)c1 12909357 LCDZRLJWUPQWDP-LLVKDONJSA-N 350.371 1.496 0 40 FDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 25896116 BJROVRACDXAXNB-AWEZNQCLSA-N 367.471 1.133 0 40 FDAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(N2CCOCC2)N1 9225276 OSYIQFGULZWNIR-ZDUSSCGKSA-N 350.806 1.164 0 40 FDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2CN1 4086319 FUBNLFDSTCWVKM-OALUTQOASA-N 363.417 1.994 0 40 FDAB biogenic COCCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C 9337861 WDSVPFBUSIJJRT-UHFFFAOYSA-N 366.395 1.821 0 40 FDAB COCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2C)n(C)c1=O 4249416 OGKGJTDRRHGFIM-UHFFFAOYSA-N 369.425 1.393 0 40 FDAB Cc1ccccc1N(CC(=O)NCc1nnc2ccccn12)S(C)(=O)=O 14235157 ZGXOXSHZBPQZSF-UHFFFAOYSA-N 373.438 1.120 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)Oc1ccc(Br)cc1Cl 6578764 MIEYNKKHQFXKGR-UHFFFAOYSA-N 359.563 1.558 0 40 FDAB CCCCn1c(N)c(N(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)c(=O)[nH]c1=O 14655083 KWEBAAAACWNPDQ-CYBMUJFWSA-N 374.441 1.658 0 40 FDAB O=C(CSc1nnnn1-c1cccnc1)Nc1ccc2c(c1)OCO2 4708734 MGWIEWXVZLNMEF-UHFFFAOYSA-N 356.367 1.517 0 40 FDAB CN(C)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 7437607 LMPQQVBPDSJIPB-UHFFFAOYSA-N 374.418 1.754 0 40 FDAB C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16034091 GXIDXARVELAHFA-KDSOVNPWSA-N 361.829 1.879 0 40 FDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1F 8071704 LCVQAQXJBAYMDS-UHFFFAOYSA-N 353.353 1.836 0 40 FDAB Cc1ccc(Nc2nc(N)nc(COC(=O)CN3CCCC3=O)n2)cc1 8024847 MHMVUNXPPKRBMV-UHFFFAOYSA-N 356.386 1.171 0 40 FDAB CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 8283586 HFWGPZZTDFEZSH-MLGOLLRUSA-N 372.421 1.908 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1 69347788 FCGSCNFMSLUOQK-UHFFFAOYSA-N 369.443 1.409 0 40 FDAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 69369204 VEEVCVZCWYANDQ-UKRRQHHQSA-N 370.471 1.137 0 40 FDAB COCCn1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8617893 NOEJGZGZKOCVDQ-UHFFFAOYSA-N 367.409 1.308 0 40 FDAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C)s2)n1 8916812 IZUURHUHHFAAFM-UHFFFAOYSA-N 361.836 1.726 0 40 FDAB OC1CCN(c2ncccc2NCc2cnc(N3CCOCC3)nc2)CC1 89773233 IXZUVDSYORQHFH-UHFFFAOYSA-N 370.457 1.281 0 40 FDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1cnc(C2CC2)s1 1548453981 NTDPANJAGHKXAB-LLVKDONJSA-N 353.425 1.390 0 40 FDAB Cc1sc2ncn3c(=O)n(CC(=O)NCc4ccco4)nc3c2c1C 64945595 OAYJDGXDQUCXOR-UHFFFAOYSA-N 357.395 1.632 0 40 FDAB Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(-n2cnnc2)c1 32646655 XFQFHWHZEGETKK-UHFFFAOYSA-N 366.377 2.000 0 40 FDAB O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 32101661 NPPGRRHEJBVVBI-OAHLLOKOSA-N 365.455 1.668 0 40 FDAB C[C@H](NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ncsc2c1 512076850 BWOHYKLXKWNVED-ZKYQVNSYSA-N 372.450 1.211 0 40 FDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCSCC1 71279107 HHFMMWAUEHSELA-UHFFFAOYSA-N 366.462 1.233 0 40 FDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 72391638 XYIPMKKHEMZDDK-ZDUSSCGKSA-N 358.446 1.324 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1F 30848278 CGGLWSIZNTZIFE-UHFFFAOYSA-N 366.418 1.150 0 40 FDAB COc1cccc(Cn2c(=O)c3c(nc4n3[C@@H](C)C(C)=NN4)n(C)c2=O)c1 72236031 ZXSJHZQFLIXFMA-NSHDSACASA-N 368.397 1.316 0 40 FDAB COc1ccc([C@H](CC(=O)N[C@@H](C)C(N)=O)c2oc(C)cc(=O)c2O)cc1 1547139148 ISONGPNENJUCIJ-FZMZJTMJSA-N 374.393 1.174 0 40 FDAB biogenic O=C(NC[C@@]1(O)CCCc2occc21)C(=O)Nc1ccc2c(c1)OCCO2 1565523883 ZZKDCZGTJGNRKP-IBGZPJMESA-N 372.377 1.330 0 40 FDAB COCCn1c(C(=O)NC[C@@H](O)c2ccccc2)nc2ccccc2c1=O 32073581 GPIAZBZBOPFVIH-QGZVFWFLSA-N 367.405 1.506 0 40 FDAB CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3cccnc3)n2)c1 40267371 ADTJASLJAFMLSR-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 47030249 GNKTZBADRDPCHJ-ZDUSSCGKSA-N 365.407 1.822 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Oc2cccnn2)C1 225452504 BNOLQCOBQCHRMS-CQSZACIVSA-N 365.393 1.257 0 40 FDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 42293473 QHJHMEDQIHEMCX-UHFFFAOYSA-N 362.407 1.450 0 40 FDAB CC(C)(C)n1cc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)nn1 330130448 PBBSGNVKOIVZLR-CQSZACIVSA-N 363.462 1.277 0 40 FDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccncc3)C[C@@H]21 96043504 ZDWKFYHJLSMOLO-BRWVUGGUSA-N 353.426 1.737 0 40 FDAB O=C([C@@H]1CCC2(CCN(CC3CCOCC3)CC2)O1)N1CCCCO1 96110016 RFTFIPPZGYMEAL-KRWDZBQOSA-N 352.475 1.981 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2ccccn2)C1 96110100 RSPHVOPXSXTWTD-RDTXWAMCSA-N 358.467 1.611 0 40 FDAB COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3coc(C)c3)C2)c(=O)c1 583620179 PFPMHAQJZYGAKB-INIZCTEOSA-N 374.441 1.705 0 40 FDAB c1cc(CN2CCOC[C@@]3(C2)CN(Cc2ccncc2)CCO3)ccn1 96049845 SEBZNVMDSUCKGK-HXUWFJFHSA-N 354.454 1.580 0 40 FDAB CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106938 UMOGYIZRCDOQCS-HNNXBMFYSA-N 355.460 1.028 0 40 FDAB CNC(=O)[C@@]12CCC3(CCN(Cc4ccoc4)CC3)[C@@H]1CN(C(C)=O)C2 96036264 QADYNDCLZXVYGT-FXAWDEMLSA-N 359.470 1.866 0 40 FDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 96209287 RAIZLEIVWCRMCJ-AWEZNQCLSA-N 352.398 1.363 0 40 FDAB C[C@H]1CCN(Cc2ccccc2)C[C@H]1N=c1nc(O)c2cnn(C)c2[nH]1 585138477 UWXGCXIVCPSQCB-XJKSGUPXSA-N 352.442 1.813 0 40 FDAB CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ncccn1)C2 248120879 KEICTDMLBUVLID-MRXNPFEDSA-N 367.453 1.625 0 40 FDAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC[C@H](O)C2)Oc2ccccc21 247853344 IGNOGTUSSJKHTN-MXUQFAONSA-N 370.449 1.925 0 40 FDAB COCC(=O)NCC[C@@H]1CN(Cc2ccccc2OC)Cc2ccnn2C1 248143098 QZAVWIIYMMQHKU-MRXNPFEDSA-N 372.469 1.676 0 40 FDAB C[C@@H]1CC[C@]23COC(=O)C2=C[C@H](O)C[C@@H]3[C@]1(C)CCC1=CC(=O)O[C@H]1O 253390281 FSXIRVCJYLNVMM-FHQQXRQJSA-N 362.422 1.855 0 40 FDAB biogenic,in-vitro Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257344475 ZXJRBHUDRNVFCS-JXXFODFXSA-N 356.470 1.679 0 40 FDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ocnc3C)CC2)cn1 257237756 HIAPXGMMZJPYAL-UHFFFAOYSA-N 357.414 1.504 0 40 FDAB O=C(O)[C@@H]1CC12CCN(C(=O)[C@H]1CCN(c3ccc(F)cc3)C1=O)CC2 262443771 OFILNXDMJORTSE-CABCVRRESA-N 360.385 1.892 0 40 FDAB O=C(O)c1cn(C2CCN(C(=O)c3cccc4c3OCCCO4)CC2)nn1 659222531 WLQHNXZAXQJFQK-UHFFFAOYSA-N 372.381 1.615 0 40 FDAB CO[C@H]1CN[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 1776002651 XJTBBACJVOLIJH-LXZKKBNFSA-N 364.465 1.132 0 40 FDAB Cn1cc(O[C@@H]2CN(Cc3ncc(-c4ccccc4F)o3)C[C@H]2O)cn1 625625552 PPNCFSUZQXBQMX-NVXWUHKLSA-N 358.373 1.838 0 40 FDAB CCn1ccnc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 295862288 XBVMNISWDDFHFJ-UHFFFAOYSA-N 362.455 1.545 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cnn(C[C@@H]2CCCCO2)c1 390828167 PGUNEFXMFHCEMZ-AWEZNQCLSA-N 356.382 1.999 0 40 FDAB Cc1snnc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NC3CCCC3)CC[C@H]21 585108752 VYHMBIOXQBHFGB-MGPQQGTHSA-N 364.471 1.667 0 40 FDAB CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 79110779 HDKWOZURGSJGEI-KGLIPLIRSA-N 374.484 1.520 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615122625 PZJFBSYHYZLVHE-LJQANCHMSA-N 372.400 1.597 0 40 FDAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1N 5242146 CFMPQMOOUUZJHH-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB CCOC(=O)C1=C(COC(=O)Cc2ccccc2F)NC(=O)N[C@H]1C 5780968 PYBZWWYAZGNKPU-JTQLQIEISA-N 350.346 1.430 0 40 FDAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@@H]3CCCO3)n2)CC1 12142275 DHSABCPAQZDMNZ-HNNXBMFYSA-N 357.414 1.960 0 40 FDAB Cc1ccn(C[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n1 19237918 OUDLBDZOMHWUNX-AWEZNQCLSA-N 368.485 1.670 0 40 FDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19500725 MSDMPJYASGGKHD-NRTGNBEESA-N 362.401 1.803 0 40 FDAB Cn1cc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)on2)cn1 19664718 DEZJGDBRJKJANY-CYBMUJFWSA-N 369.356 1.750 0 40 FDAB Cc1noc(CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)n1 19664747 WRVWLSCPFJHKRN-UHFFFAOYSA-N 364.427 1.879 0 40 FDAB Cc1nn(C)c(Cl)c1S(=O)(=O)Oc1cc(C(F)(F)F)nn1C 2380482 ISDUAPKZQJGGBB-UHFFFAOYSA-N 358.729 1.902 0 40 FDAB CCn1nnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13406923 PVYSYXAKFOGAIL-CYBMUJFWSA-N 374.426 1.079 0 40 FDAB Cc1nsc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888868606 OFOXPYHWBHKBFY-CQSZACIVSA-N 352.485 1.887 0 40 FDAB Cn1c(O)nc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)cc1=O 1888888024 AUYCDNJBSDKUDA-STQMWFEESA-N 364.409 1.002 0 40 FDAB COc1ccc2sc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)nc2c1 1889139414 LYBHFUSWGMDDHD-CQSZACIVSA-N 363.439 1.369 0 40 FDAB O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 1615101670 GUPRNKZVFLHSKG-IEBWSBKVSA-N 374.416 1.437 0 40 FDAB CC(=O)N1CCN(c2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)CC1 2087131602 QJJDENTXULHSRR-UHFFFAOYSA-N 355.442 1.884 0 40 FDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O 2128512 XRTRKJPGAGGYEC-KRWDZBQOSA-N 365.389 1.599 0 40 FDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCc4cccnc4)cc1c32 9708735 FVBCFWTVQYXYRL-GFCCVEGCSA-N 364.405 1.733 0 40 FDAB Cc1cccc(OCC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1 17135457 UAUDNEUGJYTHKL-UHFFFAOYSA-N 359.336 1.944 0 40 FDAB COc1ccc(S(=O)(=O)CC(=O)Nc2sccc2C(N)=O)cc1 10219387 OBPCENKDDWIADF-UHFFFAOYSA-N 354.409 1.268 0 40 FDAB CCCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1 2211061 AWTHHAMVWPRTND-UHFFFAOYSA-N 368.459 1.575 0 40 FDAB O=S(=O)(CCc1ccccc1)NCc1ccc(Cn2cncn2)cc1 40088531 ZSQAEKMGCKVIAB-UHFFFAOYSA-N 356.451 1.989 0 40 FDAB O=C(NCc1ccn[nH]1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 40154546 HUAJICUQUUWHOQ-UHFFFAOYSA-N 357.395 1.536 0 40 FDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 40154102 SEYFFVIKSDYOHV-UONOGXRCSA-N 371.507 1.052 0 40 FDAB CN1C(=O)c2ccc(C(=O)NC[C@@H](O)c3ccc(F)c(F)c3)cc2C1=O 31296389 XPDWWEMEYYIKON-OAHLLOKOSA-N 360.316 1.654 0 40 FDAB COc1cccc(CN(CCCN2CCOCC2)C(=O)N(C)C)c1OC 20573774 MXMGLRWKNSKSMQ-UHFFFAOYSA-N 365.474 1.910 0 40 FDAB COc1ccc(O[C@@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 32892757 OYXHFYCIUWADRH-SCLBCKFNSA-N 354.406 1.901 0 40 FDAB C[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCc2ccccc21 32815228 ITRFCMVRGHJKJB-RRFJBIMHSA-N 353.488 1.381 0 40 FDAB O=C(NC1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1)c1ccccc1 32860398 FNHZKUMCEBOYRR-MOPGFXCFSA-N 362.470 1.437 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CSc2ccc(F)cc2)CC1 21823744 OEYJZYSMEVMEQK-CYBMUJFWSA-N 365.474 1.729 0 40 FDAB CNC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102915313 CZONBBNZRITUMS-GASCZTMLSA-N 355.394 1.326 0 40 FDAB CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 53268619 FJDMANABTQIVNA-ZDUSSCGKSA-N 357.476 1.997 0 40 FDAB CC(C)C[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 607750 HGBFRHCDYZJRAO-LLVKDONJSA-N 353.853 1.063 0 40 FDAB world COC(=O)COc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 24953026 NNMKYJDECHKKRR-AWEZNQCLSA-N 370.409 1.884 0 40 FDAB NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl 79104106 UHATXNCALDZUKA-QWHCGFSZSA-N 350.806 1.714 0 40 FDAB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 4040867 LXIQMFKOABADKQ-WWKFEUJKSA-N 357.362 1.411 0 40 FDAB CCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(COC)n2)cc1 96000573 QYDGKMJADDZQPN-AWEZNQCLSA-N 367.427 1.541 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)S(=O)(=O)c2cccs2)c1C 9390027 SUVBWCGZVIQJFY-UHFFFAOYSA-N 370.452 1.983 0 40 FDAB COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)n3cncn3)[C@H](C)C2)cc1 58342132 UMWJRPGCXVDTTO-ZIAGYGMSSA-N 357.414 1.363 0 40 FDAB CCn1nccc1/C=c1\sc2n(c1=O)[C@@H]1C[C@@](C)(N=2)Oc2ccccc21 102449767 WNDIDGUEWXLWMR-JUTIEOKJSA-N 366.446 1.676 0 40 FDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cnccn2)CC1 28057493 RZXHGTSQLNVIPY-UHFFFAOYSA-N 358.467 1.866 0 40 FDAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)c1ccccc1 11689640 RBNZSMWZKDVDGZ-UHFFFAOYSA-N 360.391 1.728 0 40 FDAB CCN(CC)C(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520102 ZNPBBUNQLSHDPJ-UHFFFAOYSA-N 374.470 1.515 0 40 FDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ccccc1 3418366 LKPAEKSKSXKYCY-CQSZACIVSA-N 371.462 1.863 0 40 FDAB O=C(NCc1cccnc1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13548798 LKPXPRBIBXVTBJ-UHFFFAOYSA-N 371.832 1.934 0 40 FDAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4cccnc4)C[C@H]32)cc1 67897225 CXFXWZPVMNKDJJ-MOPGFXCFSA-N 353.422 1.702 0 40 FDAB biogenic,in-vitro Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@@H]1CCCO1 6025174 ZDMQQAULUHPGKH-LBPRGKRZSA-N 362.455 1.924 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 5091427 MNHNNZZJJRVKLE-WPRPVWTQSA-N 371.136 1.377 0 40 FDAB NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 6144305 DRLDIUOETCLBKX-MDZDMXLPSA-N 360.391 1.741 0 40 FDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1CC(=O)N(Cc2ccco2)C1 5204387 OZYZKNYLPNLMRJ-NSHDSACASA-N 373.390 1.441 0 40 FDAB Cn1c(N)c(-c2cc3n(c2)CCc2cc4c(cc2-3)OCO4)c(=O)n(C)c1=O 5425468 LXXBHUZPZWFPQT-UHFFFAOYSA-N 366.377 1.087 0 40 FDAB O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)cc2o1 6623671 PVKGASGRNLMGPG-XCLNPWKQSA-N 370.357 1.278 0 40 FDAB biogenic COC(=O)c1c(SCC(=O)N[C@@H](C)c2ccccc2)nc(=O)[nH]c1C 31618341 VBLIIEVGFGDKQN-JTQLQIEISA-N 361.423 1.834 0 40 FDAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCc3ccccc31)CS2 5877384 LIYASVZTONEPMI-KSSFIOAISA-N 360.435 1.573 0 40 FDAB Cc1cc(C)c(CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(=O)[nH]1 7118683 YBCLTAUBPYZUBM-UHFFFAOYSA-N 364.405 1.776 0 40 FDAB COC(=O)[C@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 16230767 FRBRCRJBVZWEFY-JTQLQIEISA-N 363.439 1.405 0 40 FDAB CNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 71819752 RIGLISDFZYVQMU-UHFFFAOYSA-N 356.382 1.291 0 40 FDAB CNC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 8294874 XTIDZILUAJDIDL-UHFFFAOYSA-N 350.378 1.854 0 40 FDAB biogenic Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)n1 69438035 KYFZBQRGQDIHTJ-HUUCEWRRSA-N 371.445 1.726 0 40 FDAB COc1cc2[nH]c(O)c(C(=O)NCc3ccccn3)c(=O)c2cc1OC 17719703 WXHBSPUVISMMBF-UHFFFAOYSA-N 355.350 1.576 0 40 FDAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 9183890 WYAPNAOONRSOQS-JTQLQIEISA-N 359.404 1.877 0 40 FDAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccc3F)C2)cn1 306136247 POBFUXZEFATYJL-CQSZACIVSA-N 368.372 1.619 0 40 FDAB Cc1csc(=O)n1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 9980504 JVKUFKYLCSOXRD-UHFFFAOYSA-N 373.478 1.773 0 40 FDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(Cc2ccsc2)CC1 23249018 GJUNFVGNJCOWRG-ZDUSSCGKSA-N 352.504 1.879 0 40 FDAB CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2cccc(OCC(N)=O)c2)C1 32913133 CPHRNFNXRTUFNV-ZDUSSCGKSA-N 362.430 1.319 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CC(F)(F)C1 306132251 LCYNXXAUDHMFQZ-OAHLLOKOSA-N 354.401 1.534 0 40 FDAB COc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)NC(C)C)n4C[C@H]3C2)cc1 306139880 UDJFGDOKYHALKE-JKSUJKDBSA-N 369.469 1.729 0 40 FDAB O=C(NCCCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cnccn1 72405954 OTHFQCKGOFZMIL-QGZVFWFLSA-N 354.410 1.587 0 40 FDAB CO[C@@H](C(=O)N1[C@H]2CC[C@@H]1Cc1nc(C)[nH]c(=O)c1C2)c1ccccc1 72373141 AGDHTKBTRWCSSS-HDMKZQKVSA-N 353.422 1.924 0 40 FDAB CC(=O)N1CCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)CC1 72340773 JSXANQBKUJNPFJ-UHFFFAOYSA-N 352.398 1.806 0 40 FDAB O=C(NC1CCN(C(=O)CCCN2C(=O)CCC2=O)CC1)c1ccccc1 32931365 JGXGDHUPPRIIRR-UHFFFAOYSA-N 371.437 1.337 0 40 FDAB CNc1cc(Nc2nccc([C@H]3CCCN(CC(=O)N(C)C)C3)n2)ncn1 72377913 VUZXYAPWJNVZLW-ZDUSSCGKSA-N 370.461 1.320 0 40 FDAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)nn1C1CCOCC1 530261699 DXTSIOMKDKGSQA-MRXNPFEDSA-N 367.413 1.576 0 40 FDAB CC1(C)NC(=O)N(CCN2CCCN(Cc3ccc(F)cc3)CC2)C1=O 45736648 TWYNHLUCMUZFRT-UHFFFAOYSA-N 362.449 1.664 0 40 FDAB O=C(NCCc1nccs1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478676 PLXSOXHZELMJIG-LLVKDONJSA-N 355.423 1.731 0 40 FDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 96040212 DICNALMOVPTVOP-IAGOWNOFSA-N 354.472 1.819 0 40 FDAB Nc1nc(CCC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)cs1 97642302 UQXYGJXSAAAAHZ-MRXNPFEDSA-N 354.439 1.950 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)n1 96106878 FSCNVNHOJIIFGT-INIZCTEOSA-N 356.426 1.796 0 40 FDAB O=C(CC1CC1)N1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2 96240210 DEIOHYPZWHUEDN-KRWDZBQOSA-N 350.440 1.509 0 40 FDAB O=S(=O)(NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2)C1CC1 96108386 DWZORQFIQKSWFA-AEFFLSMTSA-N 350.484 1.259 0 40 FDAB CS(=O)(=O)CCCNC(=O)c1nccnc1Sc1ccccc1 582690136 TWCFPAVRHURVAM-UHFFFAOYSA-N 351.453 1.792 0 40 FDAB CN(C)C(=O)CO[C@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 248051684 XPHBOXLEDQHGRG-HNNXBMFYSA-N 362.426 1.254 0 40 FDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2ccn(C)n2)C3)nc1 248108660 GQBHPGUGXCTLIM-AWEZNQCLSA-N 356.430 1.252 0 40 FDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1ccco1 247864822 OCOVWWZLLJCWCJ-QGZVFWFLSA-N 358.442 1.966 0 40 FDAB Cc1cn(C)c([C@H]2CN(C(=O)Cn3c(C)nc4ccccc43)CCO2)n1 257319109 VQUJOBIJXARVGY-QGZVFWFLSA-N 353.426 1.987 0 40 FDAB C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3nonc3N)[C@H]1CCCC(=O)N2 257322834 WHPHZQDHWKTOGI-LXIYXOSZSA-N 355.398 1.666 0 40 FDAB Cc1nccc([C@@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)n1 257267719 MINHRIYSMUJPOX-KRWDZBQOSA-N 350.382 1.579 0 40 FDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cc(C)ncn3)C2)cn1 257306209 STHRXRDTZAJVLH-IBGZPJMESA-N 355.442 1.592 0 40 FDAB CC(C)Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)on1 257257170 KOISKJZLPXSQKU-SFHVURJKSA-N 359.430 1.377 0 40 FDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc1 263326643 OUZLGYXFKIOXJH-BETUJISGSA-N 354.428 1.214 0 40 FDAB CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)COc2cc(C)ccc2C)C1 1775960372 HZNLNMSSAMXEFJ-HOTGVXAUSA-N 358.442 1.777 0 40 FDAB CC1(C)CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1c1cccnc1 292755085 WKGCKKBQAVDHMQ-HIFRSBDPSA-N 366.487 1.456 0 40 FDAB Cn1cccc(C(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)c1=O 96121646 DGMHIGSCSDBDMN-UHFFFAOYSA-N 363.421 1.951 0 40 FDAB O=C(CCc1ccc(Br)cc1)N1CC(N2C(=O)CNC2=O)C1 390827961 MMWJWRJJMUQZIW-UHFFFAOYSA-N 366.215 1.144 0 40 FDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 575404463 MVALQXSBCQKOKA-ZDUSSCGKSA-N 359.426 1.796 0 40 FDAB CC(C)n1cc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cn1 585112861 XGWANQHMEBBKEB-INIZCTEOSA-N 366.491 1.157 0 40 FDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 585290635 YYRBWXQTHMQPSL-SGUAIBKKSA-N 362.474 1.174 0 40 FDAB CC(C)N(Cc1cccnc1)C(=O)c1nn(C)cc1CN1CC[C@H](N)C1 685942913 SYHIJCHOHXMGQQ-KRWDZBQOSA-N 356.474 1.399 0 40 FDAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 31684089 JDNKZLUGJHLBHI-VIFPVBQESA-N 354.350 1.843 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Cn2cccn2)CC1 75154709 JOQWJQQRDQBGIE-UHFFFAOYSA-N 363.439 1.755 0 40 FDAB O=S(=O)(c1ccc(F)cc1F)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 632618207 XRLXENWHZGNQAP-HUUCEWRRSA-N 355.362 1.778 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786357 REUFFVNKBRIMPD-UHFFFAOYSA-N 354.409 1.120 0 40 FDAB COCCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407807 DKCXFRFIRPLJCT-NWDGAFQWSA-N 361.368 1.841 0 40 FDAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCn4nc(C)nc4C3)cc2n1 13225449 FPWVSOYADGNBPR-UHFFFAOYSA-N 365.319 1.612 0 40 FDAB CN(C)CCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 13674301 HYGJIENLDKGGOT-UHFFFAOYSA-N 365.858 1.313 0 40 FDAB COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc1Cn1cccn1 19575892 SFNAMEGVEFTYQQ-ZYSHUDEJSA-N 356.470 1.579 0 40 FDAB Cc1cccn2c(O)c(C(=O)NCc3ccc4c(c3)OCO4)c(=O)nc12 164570880 QZLWVFIMKWBGLA-UHFFFAOYSA-N 353.334 1.367 0 40 FDAB Cc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1S(C)(=O)=O 157059320 XDLFTLYCCSMCKL-ZDUSSCGKSA-N 351.346 1.538 0 40 FDAB O=C(CNS(=O)(=O)C1CC1)N1CCC[C@@H](Oc2ccccc2Cl)C1 585080154 MDONANZQZLTWQS-GFCCVEGCSA-N 372.874 1.792 0 40 FDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 4513898 BDQPRWIQHOEMQT-QGZVFWFLSA-N 364.377 1.217 0 40 FDAB Cc1c(C(=O)N2CCc3c(cccc3C(N)=O)C2)cnn1-c1ccncc1 1131647384 RDQPQOJOGCWMGJ-UHFFFAOYSA-N 361.405 1.873 0 40 FDAB COCCN1C(=O)CN(C2CCN(c3ncc(Cl)cn3)CC2)C1=O 1888853105 NYUWRALTHVKVNZ-UHFFFAOYSA-N 353.810 1.009 0 40 FDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cc(C)on4)cnc32)cc1 4165858 WPESRVDOIFKAGQ-UHFFFAOYSA-N 364.365 1.826 0 40 FDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1ccc(F)c(F)c1)CC2 2055730151 FXSBQZMAUKEYHW-LLVKDONJSA-N 371.409 1.649 0 40 FDAB Cn1ccc(C(=O)N2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)n1 2055745570 KLNNWJIOFSTRTP-UHFFFAOYSA-N 374.470 1.242 0 40 FDAB CN(C)S(=O)(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970888 IUOJMCXRRDVZFD-UHFFFAOYSA-N 362.455 1.354 0 40 FDAB O=S(=O)(NCc1cn(-c2cccnc2)nn1)c1cccc2nsnc12 575617482 CTSLYUPMYWVFHL-UHFFFAOYSA-N 373.423 1.146 0 40 FDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(-c3cccnc3)on1)C2 606440856 WZNZOBZXVUGIMB-AWEZNQCLSA-N 364.409 1.880 0 40 FDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)nn(C)c2C)N(C)C)cc1 40266837 APRUAIZXVWPAKV-INIZCTEOSA-N 373.457 1.403 0 40 FDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100893933 HQPXDFPTFKWDST-XRRVDJEJSA-N 360.439 1.797 0 40 FDAB CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O 32859640 YIKPERZEDXBGRJ-CYBMUJFWSA-N 359.382 1.015 0 40 FDAB O=C(CN1CSC[C@@H]1C(=O)N1CCOCC1)Nc1ccccc1Cl 32809758 QWMLLBSQNNWTSC-CQSZACIVSA-N 369.874 1.512 0 40 FDAB CNC(=O)[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)c2ccccc2O1 41785243 VRAQBJWUAQVOPV-QZTJIDSGSA-N 365.389 1.720 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(c3ccncc3)CC1)C2=O 23641284 VBNYDCDDJKBYGP-BEFAXECRSA-N 357.458 1.662 0 40 FDAB CC(=O)c1cc2c(cc1NC(=O)Cn1c(=O)cnc3ccccc31)OCO2 24974163 DTIMYBHSOKVRAR-UHFFFAOYSA-N 365.345 1.967 0 40 FDAB COc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c1 2234200 UFGOIDALACYUNF-UHFFFAOYSA-N 356.411 1.793 0 40 FDAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccccc1 34866177 WUFFZIIJBJCFDT-UHFFFAOYSA-N 352.438 1.835 0 40 FDAB Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1 2630113 YYEOCXZFGMTCDO-UHFFFAOYSA-N 368.484 1.525 0 40 FDAB COC(=O)c1ccccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 35269262 CXTAVYVVMWGOAD-KRWDZBQOSA-N 367.405 1.324 0 40 FDAB CNC(=O)c1cc(NC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1Cl 58197729 HQTGRWSJWNZOAS-UHFFFAOYSA-N 372.812 1.992 0 40 FDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC2CCCCC2)C1 58192736 RSAHQCVBANQQRC-KGLIPLIRSA-N 352.479 1.382 0 40 FDAB COc1cc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc(OC)c1OC 58292074 KBWHFIAREFJWEJ-GXTWGEPZSA-N 364.442 1.757 0 40 FDAB O=C(Nc1nccs1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 9306570 MYRUJLQRUFUBIV-LKQDWFRTSA-N 357.391 1.657 0 40 FDAB CS(=O)(=O)NC1CCN(C(=O)CCSc2ccccc2F)CC1 10665320 MWYJKRRHYWZAKX-UHFFFAOYSA-N 360.476 1.848 0 40 FDAB COc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3265977 LIDQOPDQZVRQIP-UHFFFAOYSA-N 372.377 1.430 0 40 FDAB C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(-n2cncn2)cc1 173766419 HLBZPNYECBNPFN-QAPCUYQASA-N 370.457 1.444 0 40 FDAB COc1ccc(-c2noc(C(=O)NCCCN3CCCC3=O)n2)cc1OC 12390480 ZPCSQNIQERLKDN-UHFFFAOYSA-N 374.397 1.496 0 40 FDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cccc(C(=O)O)c1 12408051 SBHVSPDDNPTFEZ-GFCCVEGCSA-N 363.395 1.044 0 40 FDAB O=C(O)c1nccnc1C(=O)N1CCN(c2nsc3ccccc23)CC1 61721330 QIGDFNZFGIQXOZ-UHFFFAOYSA-N 369.406 1.747 0 40 FDAB O=C(Nc1cccnc1-n1cccn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48196351 XMBRUAWMRXUXCR-HNNXBMFYSA-N 370.413 1.122 0 40 FDAB CCOc1ccccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 104278588 LUOXKFDDCSIAJQ-HNNXBMFYSA-N 360.410 1.556 0 40 FDAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN(CC(N)=O)CC1 48326264 CBTQRSNNJITFBG-UHFFFAOYSA-N 358.467 1.798 0 40 FDAB C[C@]1(NC(=O)CSc2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 12880023 UCLRPWWKVJAWDM-INIZCTEOSA-N 371.480 1.633 0 40 FDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 12994368 WEGNXXXBNCCYHN-KRWDZBQOSA-N 354.370 1.797 0 40 FDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12920459 JZVKDKTUMAOGIB-NSHDSACASA-N 356.382 1.362 0 40 FDAB CCCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 49462062 KQZOXYQUSWRSSS-INIZCTEOSA-N 366.483 1.558 0 40 FDAB O=C(CCCc1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 39985498 MEEOQHSSPYOPSC-CQSZACIVSA-N 356.513 1.402 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14182876 XJGJWRSHMXOQIO-ZDUSSCGKSA-N 363.433 1.709 0 40 FDAB 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CCn1cc(CN2CC[C@H]3[C@H](CC(=O)NCC(F)(F)F)OC[C@H]3C2)cn1 1565543512 GYMRLPOWXOVUII-KFWWJZLASA-N 374.407 1.809 0 40 FDAB COc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1OC 4941503 AEWMSIWHCHOLCS-ZDUSSCGKSA-N 364.398 1.444 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)n1 2055771550 HJXFVHGFRCVWGC-IBGZPJMESA-N 371.441 1.482 0 40 FDAB CN(C)CC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055708206 UXEUONIQWQUNOL-UHFFFAOYSA-N 355.442 1.401 0 40 FDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cc(C)oc2C)CC1 2055772960 CQPLHMKZUCLQMI-UHFFFAOYSA-N 374.441 1.487 0 40 FDAB O=C([C@@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCC(F)(F)CC1 2086884544 IJLCUQNZGQFTND-AWEZNQCLSA-N 352.385 1.817 0 40 FDAB Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2ccccc21 101344952 NFRYBTQFFXYVGS-YZSSSTSJSA-N 353.469 1.339 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)CC1 618256591 KJQJTDQGXARDCO-OAHLLOKOSA-N 371.528 1.110 0 40 FDAB CC(C)CN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 230030479 ANPFDDAXPMKPNQ-HUUCEWRRSA-N 356.875 1.810 0 40 FDAB CCN(CC)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1 40050956 SSBBXBWOELGVTQ-QGZVFWFLSA-N 367.453 1.695 0 40 FDAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1ccc2c(c1)OCCO2 31352312 KHSVKNCQCNYYIP-GOSISDBHSA-N 368.389 1.906 0 40 FDAB CN(C(=O)CCCn1c(=O)oc2ccccc21)[C@H]1CCS(=O)(=O)C1 32780688 PHJPCSMINXIQJY-LBPRGKRZSA-N 352.412 1.020 0 40 FDAB Nc1ccccc1C1=NN[C@]2(CC(c3ccccc3Cl)=NN2)C(=O)N1 32815320 OSSNCNFWQQGZQZ-QGZVFWFLSA-N 354.801 1.397 0 40 FDAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)NCc2ccccn2)c1C 21718452 AJFRBANAUKMZSX-UHFFFAOYSA-N 370.434 1.927 0 40 FDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2cnc(N3CCCC3)nc2)s1 103232530 PESKIXSHGJSRPW-LHHRFCNSSA-N 358.467 1.051 0 40 FDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCOc1ccc(Cl)cc1 103619247 VXATZJXOVGJUOT-SYWGBEHUSA-N 374.824 1.642 0 40 FDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 1344749 ZXQJABPTLRDMMA-KBPBESRZSA-N 366.425 1.767 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 4275853 VVSILPIHCMHNLR-BQJWPVKWSA-N 351.399 1.116 0 40 FDAB COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4559393 CABUCOANRKPPFY-UHFFFAOYSA-N 374.890 1.893 0 40 FDAB CCS(=O)(=O)Nc1ccc2c(c1)c(C(=O)O)c(C)n2S(=O)(=O)CC 4945012 DHMHPFISRUIUAS-UHFFFAOYSA-N 374.440 1.607 0 40 FDAB OC[C@@H](O)[C@H](O)[C@H](O)C(Sc1ccccc1)Sc1ccccc1 4974714 KSOONRGIPJUSRL-PMPSAXMXSA-N 352.477 1.972 0 40 FDAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1Cc2ccccc2O1 56892502 WYOBHEJAQDFZDM-YPMHNXCESA-N 366.464 1.535 0 40 FDAB O=C(OCc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 6249260 AJFMEKXMCYNZGH-UHFFFAOYSA-N 362.407 1.460 0 40 FDAB COc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(OC)c1C 6279934 OADVNXJOERWXAJ-UHFFFAOYSA-N 350.396 1.912 0 40 FDAB Cc1csc(=O)n1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 7780347 XPVNERRRNPSUAG-UHFFFAOYSA-N 362.379 1.853 0 40 FDAB CC(=O)NCCOC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8157366 FYJYMWSEFNRHGX-UHFFFAOYSA-N 354.428 1.154 0 40 FDAB COCCN(C(=O)/C=C/c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1810608 KUAFUDGPXRBIBH-SBJJXXPASA-N 353.440 1.371 0 40 FDAB O=C(NCCCN1CCCC1=O)c1ccc(S(=O)(=O)C(F)F)cc1 27478076 NBOBIRBXOQNDQI-UHFFFAOYSA-N 360.382 1.425 0 40 FDAB O=C(NCCC(=O)N1CCOCC1)c1ccn(-c2cccc(Cl)c2)n1 58227611 PWDVMLOQYGELFI-UHFFFAOYSA-N 362.817 1.504 0 40 FDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 58366514 BETISEGQXFKMSY-GFCCVEGCSA-N 362.407 1.708 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCSc4ccccc43)cnc21 11238476 YTPQTWMOZABNSU-ZDUSSCGKSA-N 355.423 1.483 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCc2sccc2[C@@H]1c1ccccc1 29280294 AFOZVOLWVCIKTR-SFHVURJKSA-N 367.430 1.772 0 40 FDAB NC(=O)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 45867444 SRKWUQFUWNHQTJ-CMPLNLGQSA-N 350.385 1.356 0 40 FDAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 29508882 WGJBLXXBVNCXKP-GOSISDBHSA-N 354.366 1.496 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 100440696 WWDVLZKMJFIERE-FMKPAKJESA-N 351.472 1.604 0 40 FDAB COc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cc1OC[C@@H]1CCCO1 48152058 YHKJZTLFPYPPRG-YPMHNXCESA-N 357.428 1.625 0 40 FDAB c1ccc(CN2CCOC[C@@]3(C[C@@H](CNc4ncccn4)CO3)C2)nc1 107243633 UJIVQZOAGQGYIW-QFBILLFUSA-N 355.442 1.591 0 40 FDAB Cc1cccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 12917676 FGGYHBXDJIKPDD-UHFFFAOYSA-N 356.426 1.795 0 40 FDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)Cc1nc2ccccc2c(=O)[nH]1 13095500 JMXSLQINFKWTIV-MCIONIFRSA-N 358.442 1.379 0 40 FDAB O=C(CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)NC1CCCC1 13237509 ONLFXSOOTGCHIB-MRXNPFEDSA-N 372.425 1.522 0 40 FDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCNC1=O 9316082 LWTPBQNVGPPWAZ-GFCCVEGCSA-N 368.393 1.458 0 40 FDAB O=C(Nc1ccccc1C(=O)NCc1ccccn1)C(=O)N1CCCC1 13689217 IJJLFOZBIHLNCL-UHFFFAOYSA-N 352.394 1.573 0 40 FDAB CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14202031 NZOGECPWQGDZHJ-UHFFFAOYSA-N 368.455 1.385 0 40 FDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cnc2ccccn2c1=O 14848986 IQNLQIJALDIIFG-UHFFFAOYSA-N 366.377 1.322 0 40 FDAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(N)(=O)=O 29647425 PWZBORTZIABUIC-UHFFFAOYSA-N 354.815 1.926 0 40 FDAB CCn1c([C@H]2CCCNC2)nn(Cc2cc(OC)c(OC)cc2F)c1=O 67770875 PWHKAZKWGCMCIW-LBPRGKRZSA-N 364.421 1.736 0 40 FDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 7451296 XDJDQGBKHZZLRF-OAHLLOKOSA-N 359.470 1.991 0 40 FDAB CCCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 7985401 TXEITKSSZQWCIQ-UHFFFAOYSA-N 369.425 1.267 0 40 FDAB CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1F)NS(C)(=O)=O 68940713 FMRFMMNZVJTZBX-UHFFFAOYSA-N 358.844 1.085 0 40 FDAB CC(C)Cc1nnc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 21746161 XGZFWKJGJBVCTO-UHFFFAOYSA-N 353.448 1.786 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cccc2nsnc12 19107607 VWKHACHHBCZBJF-UHFFFAOYSA-N 373.394 1.363 0 40 FDAB Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1[nH]nc2c1CCC2 9108884 PERSXZBEOGVRDH-UHFFFAOYSA-N 361.475 1.412 0 40 FDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccco1 85601217 GZWAIPJKSKDBHX-GASCZTMLSA-N 362.451 1.970 0 40 FDAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306140707 VBLUVTGCDMNCOJ-UHFFFAOYSA-N 366.469 1.794 0 40 FDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 72391639 XYIPMKKHEMZDDK-CYBMUJFWSA-N 358.446 1.324 0 40 FDAB Cc1oncc1C(=O)N1CC[C@]2(C1)OCc1cnc(NCC3CC3)nc12 306144216 YZKQOHJSOKLGQB-GOSISDBHSA-N 355.398 1.867 0 40 FDAB O=C(CN1CCCNC1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 522555416 ARZCBEUQGILIDZ-UHFFFAOYSA-N 370.413 1.253 0 40 FDAB Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2C)c1 32508638 IPMYUXHNRNMXQE-KBPBESRZSA-N 367.496 1.442 0 40 FDAB Cc1cccc(C)c1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C 32508627 KSNLCWZEHRXQGD-CHWSQXEVSA-N 367.496 1.442 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)c4ccc(F)cc4)CC3)c2n1 72335971 WLYHDGCHDJGMPQ-UHFFFAOYSA-N 356.361 1.852 0 40 FDAB Cc1nnsc1C(=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 72346565 XXUYRPVXFJRZFK-UHFFFAOYSA-N 355.427 1.977 0 40 FDAB NCC1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218155985 PLNOAWJXJULBTK-SJORKVTESA-N 360.435 1.259 0 40 FDAB O=C(COc1ccccc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436098 ZCTVGYCOKDELGB-MRXNPFEDSA-N 359.426 1.193 0 40 FDAB biogenic,in-vitro COc1ccccc1CNS(=O)(=O)c1ccc(OCC(N)=O)cc1 223298876 FHGTVYIWDXDBBB-UHFFFAOYSA-N 350.396 1.038 0 40 FDAB CN1CCO[C@@H]2CCN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)C[C@H]21 578088257 CUZWRLGYUCOSBA-HZPDHXFCSA-N 362.405 1.647 0 40 FDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc(F)cc1)CC[C@H]2OC 96218680 FPGRPQMMVXBOLE-RCCFBDPRSA-N 350.434 1.562 0 40 FDAB O=C1CO[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1ccccc1 96051258 JQZSSUIIYFTZAS-HXUWFJFHSA-N 353.422 1.716 0 40 FDAB Cn1cc(CN2Cc3nccn3C[C@H](COCc3cccnc3)C2)cn1 96059143 FSZIQVWIPYKECU-GOSISDBHSA-N 352.442 1.860 0 40 FDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106782 OUPFFAGIYUKLCS-INIZCTEOSA-N 354.472 1.962 0 40 FDAB COCC(=O)N1C[C@@H]2Oc3cc(-c4cccnc4)ccc3C(=O)N(C)[C@@H]2C1 514288720 AZYLAZJZBNGXIM-AEFFLSMTSA-N 367.405 1.439 0 40 FDAB biogenic,in-vitro O=C(c1cnccn1)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040394 KBGMGVZJWXGBRJ-APWZRJJASA-N 354.410 1.962 0 40 FDAB O=S(=O)(NCC[C@@H]1CCOC12CN(c1ncccn1)C2)c1ccccc1 247343783 TUROBNRRLALQRW-OAHLLOKOSA-N 374.466 1.441 0 40 FDAB COC(=O)[C@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230186 MZOGZDBHDYRXRZ-NXEZDXNNSA-N 372.352 1.801 0 40 FDAB Cn1cnc2c1[C@@H](C(=O)NCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 248001886 AVPPSTCQQBRZNP-HNNXBMFYSA-N 368.437 1.774 0 40 FDAB NCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cc1 257324808 WQGSKUGSWJEZDT-KZNAEPCWSA-N 358.442 1.495 0 40 FDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1CCCn2nccc21 636380093 RETWDQJDVBJMBD-LBPRGKRZSA-N 373.804 1.786 0 40 FDAB O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644070121 CMSHYYHKAZSAKI-JZXOWHBKSA-N 355.442 1.049 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 653307156 DNKICBZLTOEOTE-LSDHHAIUSA-N 356.426 1.479 0 40 FDAB CS(=O)(=O)CCc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1 647697892 VFIMRJHLTIQKPR-GXTWGEPZSA-N 354.428 1.649 0 40 FDAB CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccccc1)CC3 585110184 UAXZPQPFYOMJIG-INIZCTEOSA-N 366.465 1.881 0 40 FDAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)/C=C/CN(C)C)n1 585291775 FYQAEDLROSZHKK-BIENSFFJSA-N 367.457 2.100 0 40 FDAB C[C@H]1Cc2nnc(COc3ccccn3)n2CCN1CC1=CCCOC1 585097003 DKAVCCWAOYEBEH-HNNXBMFYSA-N 355.442 1.845 0 40 FDAB Cc1nc(C)c(CN2CCC[C@@]3(C2)CN(CCS(C)(=O)=O)C3=O)s1 585099449 JZRACJOLKUDXTQ-MRXNPFEDSA-N 371.528 1.229 0 40 FDAB CN(C)CCOc1cccc(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1 585292212 GEBBWIODTALGAM-YPAWHYETSA-N 370.493 1.948 0 40 FDAB Cc1nnc2ccc(N3CC(N(C)c4ncnc5sccc45)C3)nn12 585607658 RJRYPOPDZSRJNH-UHFFFAOYSA-N 352.427 1.762 0 40 FDAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380473 CTYYJTREICLFQR-HNNXBMFYSA-N 369.491 1.416 0 40 FDAB Cc1cc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)nc(C)n1 77938683 UPJCOZQTVRDRSF-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB COC(=O)C1=C(C)O[C@H](CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)C1 95462926 PJMNSTZSIYELFD-GVXVVHGQSA-N 350.415 1.969 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](Cc1ccccc1)C(=O)O 1643987 BAIZNEMAFFNNOX-OAHLLOKOSA-N 352.346 1.095 0 40 FDAB CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699763 AUPYRHZPVZPKRM-HNNXBMFYSA-N 350.463 1.040 0 40 FDAB O=C(CSc1ccc(F)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965685 JZKPKWADXLCPCR-UHFFFAOYSA-N 364.377 1.722 0 40 FDAB CN(C)c1cccc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c1 12117610 GBMLQKXCLNIVLI-UHFFFAOYSA-N 367.453 1.635 0 40 FDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 12366168 CRRYRFUXSBNMAT-GOEBONIOSA-N 366.483 1.163 0 40 FDAB COc1cc(COC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC 16609455 QZZNBGSXFVUYCE-OFQRWUPVSA-N 369.458 1.699 0 40 FDAB O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014473 SBDMDDFSZKWDKH-QGZVFWFLSA-N 372.469 1.381 0 40 FDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)COc3ccccc3)C[C@H]1C2 19021882 ZQRIDAKWRZAIES-QAPCUYQASA-N 368.437 1.196 0 40 FDAB C[C@@H](Cc1ccccn1)NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 19457050 ZZIXEGQGZKDKKN-AGKSTNPPSA-N 357.454 1.940 0 40 FDAB CCCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1 19501742 RGXFGOPGPXHADV-UHFFFAOYSA-N 359.474 1.481 0 40 FDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)ccc1NC(=O)CN1CCCCC1 19570965 NNMBVWAQNGZQOD-OAHLLOKOSA-N 372.469 1.836 0 40 FDAB C[C@@H](C(=O)N1CCC(c2cc(CN(C)C)n(C)n2)CC1)N1CCCC1=O 19710184 QRHKYWVJUXHFOB-AWEZNQCLSA-N 361.490 1.199 0 40 FDAB CC(C)n1cnnc1SCC(=O)NCC(=O)Nc1ccc(F)cc1 5417728 ZLBVALDXMFFZID-UHFFFAOYSA-N 351.407 1.845 0 40 FDAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 5535183 JNTPAFZBASPPNW-UHFFFAOYSA-N 373.430 1.832 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 5506202 SHTVJSFBKBSXOG-QGZVFWFLSA-N 372.385 1.169 0 40 FDAB COCCN(CCOC)C(=O)COC(=O)/C=C/c1cccc(OC)c1 6053214 GYGLFFCKIHNPLW-BQYQJAHWSA-N 351.399 1.373 0 40 FDAB Cc1nc(N2C[C@@H]3CN(c4nccn5nccc45)C[C@H]3C2)nc(O)c1F 1888897630 GWLVLFPIRAREHP-RYUDHWBXSA-N 355.377 1.245 0 40 FDAB CC(C)c1nccc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1889139189 HLJNIWMRILQWQA-UHFFFAOYSA-N 350.430 1.902 0 40 FDAB CC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)[C@@]2(CCNC2=O)C1 1614929150 VGRVMUYWHHXUKQ-SFHVURJKSA-N 351.466 1.575 0 40 FDAB COCCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479770 JOZFYRNEVGAYDU-GFCCVEGCSA-N 351.403 1.145 0 40 FDAB CC(=O)CSc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839530 RXORSCKGQOQPET-UHFFFAOYSA-N 372.450 1.472 0 40 FDAB Cc1nc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cs1 2055730135 CFOSUAKVBLDXOL-GFCCVEGCSA-N 362.455 1.559 0 40 FDAB CCc1ccc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 10049282 ILAHVOKFAIDPHL-UHFFFAOYSA-N 366.425 1.659 0 40 FDAB Cc1cc2nc(Sc3nnc(CCC(N)=O)n3C)c3ccccc3n2n1 40071555 ZSVQXUFZMALFGI-UHFFFAOYSA-N 367.438 1.889 0 40 FDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 40057774 RXXQMCSEMFRGBE-UHFFFAOYSA-N 351.406 1.876 0 40 FDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100893937 HQPXDFPTFKWDST-UKJIMTQDSA-N 360.439 1.797 0 40 FDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)n(C)c3cccc(C)c23)CC1 20480060 VFXDSKASTLEMHS-UHFFFAOYSA-N 372.469 1.849 0 40 FDAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)Cn2cnnn2)cc1 20982905 FGZLBKUXIBDUOV-UHFFFAOYSA-N 359.386 1.618 0 40 FDAB C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 102085322 KTPAOCHQVWUUSJ-OELWXQPESA-N 373.380 1.971 0 40 FDAB O=C(NCCc1ccccn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32657624 JYPFDPDGNRJVQM-DLBZAZTESA-N 373.453 1.722 0 40 FDAB C[C@H]1CN(S(=O)(=O)NCc2ccccc2Cn2cccn2)C[C@@H](C)O1 32895793 JDGSMNGGZNFBLF-GASCZTMLSA-N 364.471 1.375 0 40 FDAB CCOC(=O)c1n[nH]c2c(-c3ccc(OC)cc3)c(COC)nn2c1=N 102751539 QJOCGUUMGUZVNU-UHFFFAOYSA-N 357.370 1.536 0 40 FDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CCn2ncc(=O)c3ccccc32)C1 53024998 DCRGIINCDBHIBE-HUUCEWRRSA-N 371.437 1.834 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)N(CCOC)Cc2cccs2)cc1 22475473 SUQFTCFIWWRSBO-UHFFFAOYSA-N 368.480 1.945 0 40 FDAB COc1ccc(CNC(=O)[C@@H](C)n2nnc3ccccc3c2=O)cc1OC 54914607 XSFOHNUEYNNFME-GFCCVEGCSA-N 368.393 1.686 0 40 FDAB COC(=O)CC1CCN(C(=O)CCN2C(=O)CC3(CCCC3)C2=O)CC1 79494907 UJXKKNWVPFNBEH-UHFFFAOYSA-N 364.442 1.498 0 40 FDAB O=C(NCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 26182412 IQRVMQDYKJLILL-UHFFFAOYSA-N 352.866 1.504 0 40 FDAB Cc1csc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 6465624 CFIQOJUVHVEFPI-UHFFFAOYSA-N 351.457 1.381 0 40 FDAB COc1cc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC(F)F 7138365 URKMTBVEDWNFKC-UHFFFAOYSA-N 366.324 1.092 0 40 FDAB CCCCn1nnnc1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 7262118 GFHQKFCXFGFERC-UHFFFAOYSA-N 368.825 1.611 0 40 FDAB O=C([C@H](c1ccccc1)N1CCN(c2ncccn2)CC1)N1CCCC1 35388086 GESKOWOGTQJIGX-SFHVURJKSA-N 351.454 1.962 0 40 FDAB Cc1cnn([C@H]2CCCN(C(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)C2)c1 109056358 KOTORBQVKWAPJR-HNNXBMFYSA-N 368.441 1.551 0 40 FDAB COC(=O)c1cc(OC)ccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 58166636 BJYCDPQIIBDFMP-STQMWFEESA-N 374.393 1.596 0 40 FDAB C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCc1ccco1 58208828 WIMXBSFNFNMICQ-KBPBESRZSA-N 370.409 1.389 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)NCc3cn4c(n3)CCCC4)ccc2c1=O 58316824 OFRAFXIQNDSRFP-UHFFFAOYSA-N 367.409 1.173 0 40 FDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(N(C)C)cc1 10619823 MHBHUQMKIZVSCZ-VXGBXAGGSA-N 354.428 1.058 0 40 FDAB C[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9985687 ZAASXZLHMMFRMZ-NHYWBVRUSA-N 365.455 1.167 0 40 FDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2cccnc2)n1 36357192 GKENGTWOXFVRIR-UHFFFAOYSA-N 367.365 1.932 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626943 ASEHECICOLPMQJ-CJNGLKHVSA-N 352.456 1.121 0 40 FDAB COC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 36618373 FVXIJPVTDJAYCD-UHFFFAOYSA-N 369.333 1.830 0 40 FDAB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)[C@@H]3CCCO3)nc2N1 2413129 PPIBKJLRFYZDKL-NEPJUHHUSA-N 361.789 1.981 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)nc1 29292613 ANUPDQPNJYOTSS-UHFFFAOYSA-N 370.409 1.751 0 40 FDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)nc1 46821016 DXZYZFBJFHWNRR-ZDUSSCGKSA-N 357.414 1.175 0 40 FDAB CC(C)[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)N1CCc2sccc2C1 61470395 IIVQJYZNIIJNTO-MLGOLLRUSA-N 364.467 1.727 0 40 FDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)c1 3302620 XDYNSTBWUMOKML-UHFFFAOYSA-N 360.439 1.240 0 40 FDAB Cc1ccccc1CCNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 12877165 GZBZOZYBRZRXRH-AWEZNQCLSA-N 371.462 1.781 0 40 FDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3cn[nH]c23)cc1 13023856 OUDAVRABFNEBHG-UHFFFAOYSA-N 374.422 1.740 0 40 FDAB Cc1ccccc1[C@@H](OC[C@H](O)CN(CCO)CCO)c1ccccc1 9218194 IQXJESSNJFFGID-CTNGQTDRSA-N 359.466 1.749 0 40 FDAB COc1ccc(CCNC(=O)c2noc(-c3ccc[nH]c3=O)n2)cc1OC 96125546 BOBAMSRDJURMIV-UHFFFAOYSA-N 370.365 1.415 0 40 FDAB CCCCn1c(S[C@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6143889 OZMZIVUIZFRFLP-ZDUSSCGKSA-N 369.468 1.891 0 40 FDAB O=C(CCN1C(=O)COc2ccccc21)NCc1nnc2ccccn12 15097293 PZJXEZVAWXHITI-UHFFFAOYSA-N 351.366 1.161 0 40 FDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)C1 9503939 AUQFJRANTATMRN-GUYCJALGSA-N 368.437 1.889 0 40 FDAB O=C(COC(=O)c1n[nH]c2ccccc12)NC[C@@H]1COc2ccccc2O1 4958754 ACDFEIHAQWISSG-GFCCVEGCSA-N 367.361 1.676 0 40 FDAB CC(=O)N1CCN(Cn2nc(-c3ccc4c(c3)OCO4)oc2=S)CC1 16077559 VGTSFORHALZCKI-UHFFFAOYSA-N 362.411 1.723 0 40 FDAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1nccnc1N 9609206 KKQKJVMVKOQTLI-UHFFFAOYSA-N 365.187 1.925 0 40 FDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c1 16736662 DDUOBXXKDOMOLB-UHFFFAOYSA-N 359.451 1.791 0 40 FDAB COc1ccc(Cl)cc1CN(C)CC(=O)NCCCN1CCCC1=O 96982395 DWWYLOLUPGWOBX-UHFFFAOYSA-N 367.877 1.909 0 40 FDAB CC(C)(C)NC(=O)CN1CCCN(c2nnnn2-c2ccccc2)CC1 8750756 LUNZOHHUHACLNV-UHFFFAOYSA-N 357.462 1.089 0 40 FDAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc2c1CCCC2 19368042 XWKCXVJIYZZKKA-UHFFFAOYSA-N 365.499 1.990 0 40 FDAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(OC)c2)cn1C 72305603 ZRSCYXPLUJJDGB-UHFFFAOYSA-N 352.412 1.641 0 40 FDAB O=C1CN(c2ccc(NC(=O)c3cc4c(cc3O)CCCC4)cn2)CCN1 84429109 OXRYRSOHHSWEJD-UHFFFAOYSA-N 366.421 1.855 0 40 FDAB CNC(=O)COC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 21542409 PLSUSSSTKHPZBU-UHFFFAOYSA-N 363.420 1.476 0 40 FDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350957 ZVGYEUXMVCRQME-PWSUYJOCSA-N 351.476 1.428 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1=O 520626981 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257279106 OFANSTPMZUWFRJ-GOSISDBHSA-N 374.485 1.051 0 40 FDAB Cc1cccc2c(=O)n(CCC(=O)NCc3nnc4ccccn34)cnc12 27106091 CZWFSSBDJFXWAB-UHFFFAOYSA-N 362.393 1.454 0 40 FDAB CC(C)c1noc(CCC(=O)N2CCO[C@H](CCc3ccncn3)C2)n1 257271001 MWLKIKGHWKILTK-OAHLLOKOSA-N 359.430 1.776 0 40 FDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26821932 XJINMYWNNOBQNC-VHSXEESVSA-N 369.411 1.481 0 40 FDAB CC(=O)Nc1cc(C(=O)NCc2ccnc([C@]3(C)CCCO3)n2)ccn1 257236030 HANQPGUTIQIKGK-SFHVURJKSA-N 355.398 1.786 0 40 FDAB O=C1c2ccccc2C(=O)N1CCc1nnn(CC2(O)CCCCC2)n1 65172304 VOUNVSIZWJRHDJ-UHFFFAOYSA-N 355.398 1.207 0 40 FDAB O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@@H](c2cc[nH]n2)C1 588216767 ZKPIXALYESYBOD-GFCCVEGCSA-N 353.382 1.231 0 40 FDAB Cc1cccc(C2=CCN(c3nc4c(c(=O)nc(O)n4C)n3C)CC2)c1 271306070 HPBREPZGVANTPE-UHFFFAOYSA-N 351.410 1.975 0 40 FDAB Cc1cn(C(C)(C)C(=O)N=c2ccn(CC(=O)O)[nH]2)nc1C(F)(F)F 630135185 JTZUNMNYJXVLBL-UHFFFAOYSA-N 359.308 1.287 0 40 FDAB Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c(F)c1 643771507 UZDZRXSDICLVKG-OIISXLGYSA-N 356.463 1.541 0 40 FDAB Cc1cc(Br)cc(C(=O)N2CCC[C@](O)(CC(N)=O)C2)c1 644002431 MRQYIDHHBLQVJR-HNNXBMFYSA-N 355.232 1.600 0 40 FDAB O=C(NC[C@H]1CCCS(=O)(=O)C1)c1nc(N2CCCC2)ncc1Cl 673342924 MYEWQUIYSBFBSN-LLVKDONJSA-N 372.878 1.285 0 40 FDAB Cn1ccc(CC(=O)N2CC[C@H]3O[C@@H](C(=O)NC4CCCC4)CC[C@H]32)n1 585108745 SMLGKDACZFGBLE-BRWVUGGUSA-N 360.458 1.170 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096026 NFSDXTXLZZSIAT-INIZCTEOSA-N 358.467 1.987 0 40 FDAB COCCN1CC[C@@]2(CN(C(=O)c3cc(C)no3)CC(F)(F)C2)C1=O 585093196 IJDHGMGNGQZIDN-OAHLLOKOSA-N 357.357 1.329 0 40 FDAB CCOCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@H]2C 585096895 FDACWBJXRHKAFS-LBPRGKRZSA-N 358.398 1.803 0 40 FDAB Cc1cc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)ccn1 580153937 NKFZPJXYFAYBDU-OKILXGFUSA-N 357.414 1.475 0 40 FDAB Cc1ccc(Cn2[nH]cc/c2=N\C(=O)Cc2n[nH]c(=O)c3ccccc23)o1 105907157 YJIVARXVOMNOGC-HEHNFIMWSA-N 363.377 1.672 0 40 FDAB COCC[C@](C)(O)CNS(=O)(=O)c1ccc(Br)s1 178737498 HEVJZEABPRSDSD-JTQLQIEISA-N 358.279 1.576 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@@H]4CCCN4C[C@@H]3CCO)CC2)cc1 1615193264 UPJSHEMBPBMYMQ-SFTDATJTSA-N 373.541 1.857 0 40 FDAB O=C(c1cnccn1)N1CCC[C@H](Cn2nnc(-c3cccs3)n2)C1 12471341 OHJICEYOCPBXAP-LBPRGKRZSA-N 355.427 1.744 0 40 FDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 16018642 ATYKZEDSZQYXFT-UHFFFAOYSA-N 353.334 1.691 0 40 FDAB Cc1cnn(CCC(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c1 19240016 WJFRIDZADAZOMK-INIZCTEOSA-N 370.457 1.230 0 40 FDAB CCC(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19498976 ISCRTGOUXIFVTK-HXUWFJFHSA-N 353.422 1.784 0 40 FDAB Cc1cc(CN(C)C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)n[nH]1 19749360 KOUMPISHCZOHIC-UHFFFAOYSA-N 371.441 1.165 0 40 FDAB CC(=O)N1CCCN(C)CCN(C(=O)c2cnc(O)[nH]2)Cc2ccccc21 643557486 OFKCCBFQGNLNHH-UHFFFAOYSA-N 371.441 1.446 0 40 FDAB C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCNCC2)C(=O)N1 643577198 OENOHPWAXVHRFE-OAHLLOKOSA-N 359.470 1.854 0 40 FDAB O[C@@H]1[C@@H](CNCC2(O)CCOCC2)CCC[C@H]1Oc1cccc(F)c1 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TXHNPUCRDNGEKB-KVULBXGLSA-N 351.472 1.359 0 40 FDAB COc1ccc(OC)c(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)c1 4313446 MVWROGJKXIRDPH-UHFFFAOYSA-N 365.353 1.979 0 40 FDAB Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@H](C)c2ccccc2)n1 11931010 UOBNIILSCUFDGA-OAHLLOKOSA-N 356.426 1.541 0 40 FDAB COC(CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2)OC 12345647 KOTXMOITKASWKG-AWEZNQCLSA-N 351.790 1.409 0 40 FDAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)C(C)(C)C)CC2)[nH]1 2055708128 MVBJKNMZXVHJSC-UHFFFAOYSA-N 358.446 1.041 0 40 FDAB CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3cc(C)cs3)C2)C1 2055819323 YPNKBRVSUHAKGP-SFHVURJKSA-N 365.499 1.357 0 40 FDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4ncccc34)CC2)n1 2086889681 MOMYQYVXHOUYTE-UHFFFAOYSA-N 350.430 1.516 0 40 FDAB CSc1ncccc1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 618256608 UZIKJFWDWRVYNX-UHFFFAOYSA-N 372.516 1.052 0 40 FDAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)NCc1ccco1 2298107090 WYMXYBNOTHIAJT-CQSZACIVSA-N 369.412 1.866 0 40 FDAB O=C(NCCCOCc1ccccc1)N1CCN(c2ncccn2)CC1 40069027 OBSVEQZOOJOGJS-UHFFFAOYSA-N 355.442 1.915 0 40 FDAB Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)N1CCOCC1)S2 20060477 VXHPFNKZNZATJK-KBPBESRZSA-N 363.418 1.344 0 40 FDAB Cc1nc(C2(NC(=O)CCNC(=O)OCC(F)(F)F)CCCC2)no1 40157987 VOWJLZSJBDGULV-UHFFFAOYSA-N 364.324 1.942 0 40 FDAB O=C(CCCNc1ncccn1)Oc1ccc(C[C@@H]2COC(=O)N2)cc1 40156538 CMODFDHSTSZHGL-CQSZACIVSA-N 356.382 1.925 0 40 FDAB CC(C)NC(=O)CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 40478401 NDOWUQZFHLTFDE-UHFFFAOYSA-N 373.432 1.498 0 40 FDAB O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2cccs2)CC1 21214281 QQARBYJJAPFGMU-UHFFFAOYSA-N 358.470 1.639 0 40 FDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 102181088 YFNOWARRCOEZNN-NWLJZCLZSA-N 362.455 1.779 0 40 FDAB CC(C)CCN1C(=O)C[C@H](N(C)Cc2nc3ccsc3c(=O)[nH]2)C1=O 102181039 NCNQCDPNBVEVGG-LBPRGKRZSA-N 362.455 1.590 0 40 FDAB CCOc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22409458 BCBJKUPZQXLJAU-UHFFFAOYSA-N 356.425 1.534 0 40 FDAB CC[C@H](C)NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 22916726 NBFHKLJZEVCTME-YESZJQIVSA-N 352.523 1.214 0 40 FDAB Cc1noc(C)c1S(=O)(=O)NCC1(N2CCOCC2)CCCCC1 23652423 DTESOLBUNTYUDP-UHFFFAOYSA-N 357.476 1.605 0 40 FDAB O=C(NCCN1CCc2ccccc2C1)N1CCC(N2CCCC2=O)CC1 105125332 WNJUSMCZWWCDIL-UHFFFAOYSA-N 370.497 1.841 0 40 FDAB Nc1nc(N)nc(COC(=O)c2cnc3ccccc3c2C(F)(F)F)n1 25247086 CCZARHFNVLJQHO-UHFFFAOYSA-N 364.287 1.960 0 40 FDAB COc1ccc(C(N)=O)cc1S(=O)(=O)N1C[C@H](c2ccccc2)CC1=O 1440686 UVIVXXOYRZZKSL-CQSZACIVSA-N 374.418 1.499 0 40 FDAB O=C(NC[C@@H]1CCCOC1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 55924439 MRBZFJYJNFPWBN-LBPRGKRZSA-N 356.419 1.377 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCOc2ccc(OC)cc2)CC1 25954771 VFGFRECDEHEGKC-UHFFFAOYSA-N 370.471 1.394 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)c1 4952512 FKIXKUGDAPRWLF-NSHDSACASA-N 367.427 1.102 0 40 FDAB CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 1810593 BLYWWGMNCXSPPB-IZPAUZPXSA-N 353.440 1.753 0 40 FDAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@H](C2)N1C(=O)CN 100222816 IVDGUDBBNHJWHU-UKRRQHHQSA-N 352.442 1.833 0 40 FDAB COCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 57372693 OZONAWUTSPHZHQ-UHFFFAOYSA-N 352.412 1.443 0 40 FDAB NC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 58185613 UIGIMMLROMOERO-UHFFFAOYSA-N 360.321 1.189 0 40 FDAB NC(=O)COc1cccc(COC(=O)c2cc(=O)[nH]c3ccccc23)c1 58181097 YPKAHOPRUMCERT-UHFFFAOYSA-N 352.346 1.749 0 40 FDAB O=C(CN1CCCC[C@H]1C(=O)N1CCCC1)NC(=O)Nc1ccccc1 58215184 FHYQFWWYGIYLAT-INIZCTEOSA-N 358.442 1.812 0 40 FDAB CCOCCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58264955 HTOAPYHHFYEHBH-HOTGVXAUSA-N 357.410 1.413 0 40 FDAB NC(=O)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 2117267 RQYVLDJZDBTSRL-UHFFFAOYSA-N 370.405 1.384 0 40 FDAB biogenic COc1ccc(OC)c(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 9879921 SZPCSNUFFNJDQF-UHFFFAOYSA-N 363.395 1.352 0 40 FDAB C[C@H](NC(=O)c1cc(F)ccc1Br)C(=O)N1CCOCC1 58341851 JBWAEGGGBGYTSA-VIFPVBQESA-N 359.195 1.565 0 40 FDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(O)nc2)cc1 10746900 IIOVUPXJZYFNPU-UHFFFAOYSA-N 363.439 1.545 0 40 FDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCCc1ccc(O)cc1 27976108 LBIIVZYLWNFWQO-ZDUSSCGKSA-N 353.382 1.494 0 40 FDAB CCOC(=O)c1cc(CC)sc1NC(=O)C[C@@H]1SC(=N)NC1=O 2484563 APXUQHGXSMWLMY-VIFPVBQESA-N 355.441 1.982 0 40 FDAB CN(C)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cn1 29993071 QINMRGRTMIJFLQ-HNNXBMFYSA-N 370.388 1.345 0 40 FDAB NS(=O)(=O)c1cccc(NC(=O)COc2cc(F)c(F)cc2F)c1 12600186 UTOPHCUTOKUNSO-UHFFFAOYSA-N 360.313 1.769 0 40 FDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccoc1 12778872 BHOYPNOIJUZWHV-UHFFFAOYSA-N 366.395 1.561 0 40 FDAB C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CCO1 48365045 LJCZYOCBBLYPBL-RKDXNWHRSA-N 361.261 1.876 0 40 FDAB CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 12931878 QTTHPIRUZNVBOL-UHFFFAOYSA-N 360.501 1.938 0 40 FDAB O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 3896121 GFQYJVLOPVAPGJ-UHFFFAOYSA-N 356.371 1.222 0 40 FDAB in-vitro COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)c1OC 13654693 UTBCXDAFTPBUCD-YOEHRIQHSA-N 363.435 1.983 0 40 FDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 39995562 FTDKVIPEVRODPE-LLVKDONJSA-N 352.822 1.494 0 40 FDAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](C)C(=O)O 5451963 YPDCLSAPHLXKOR-FZMZJTMJSA-N 373.413 1.180 0 40 FDAB CCOC(=O)C1=NO[C@@H](Cc2c(C=O)c(OC)c3c(c2OC)OCO3)C1 14987903 GIBKSLLHUFHDOK-VIFPVBQESA-N 365.338 1.496 0 40 FDAB CCOC(=O)C1=NO[C@@H](Cc2c(C=O)c3c(c(OC)c2OC)OCO3)C1 14988003 FKNFBYGQLIXSNP-VIFPVBQESA-N 365.338 1.496 0 40 FDAB CNC(=O)NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 15319465 YMJMGUNDVMXDAT-UHFFFAOYSA-N 368.459 1.119 0 40 FDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)cc1 408554782 UJWZDKDQTKNFDF-UHFFFAOYSA-N 368.393 1.647 0 40 FDAB CN(CC(=O)NCc1ccco1)C(=O)C1CCN(C(=O)c2ccco2)CC1 8709655 KWTVQJZPELQHBY-UHFFFAOYSA-N 373.409 1.500 0 40 FDAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 8706277 VEEHMKICKLBGSW-SKDRFNHKSA-N 359.430 1.887 0 40 FDAB Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1[nH]nc2c1CCC2 9109531 YLEPSGXTQVOKEK-UHFFFAOYSA-N 373.417 1.741 0 40 FDAB CC(C)CCn1nc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c2ccccc2c1=O 84510828 ODPRCXBULYEWGM-NSHDSACASA-N 374.397 1.183 0 40 FDAB O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 28225340 XCZGDDVLKQDRJT-UHFFFAOYSA-N 354.366 1.716 0 40 FDAB Cc1cc(S(=O)(=O)NCC(=O)NC2CCCCC2)ccc1C(=O)O 505816462 XPTZLSMLHAGFSX-UHFFFAOYSA-N 354.428 1.420 0 40 FDAB CCS(=O)(=O)N(C)CC(=O)N1CCc2cc(Br)ccc21 176214507 DZZHUDDMOCVCLS-UHFFFAOYSA-N 361.261 1.620 0 40 FDAB Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)c1 306123588 AQXKUTMOJHRLEU-CVEARBPZSA-N 351.454 1.783 0 40 FDAB CN(CN1C(=O)C(=O)c2c(Cl)ccc(F)c21)[C@H]1CCS(=O)(=O)C1 26607602 YJWALNKZBQYZFL-QMMMGPOBSA-N 360.794 1.085 0 40 FDAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1OC 72227077 IFDYLBFRWVQIHF-ROUUACIJSA-N 356.378 1.843 0 40 FDAB COc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2cc(C)sc21 32071797 HVPKJHCVSKEQDN-UHFFFAOYSA-N 359.407 1.717 0 40 FDAB Cc1cccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 224382673 XDMBSJQZAQNNPC-HNNXBMFYSA-N 369.487 1.008 0 40 FDAB CN(C)CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224254370 LXEVQALUBWESKZ-UHFFFAOYSA-N 361.467 1.803 0 40 FDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(Cl)ccn2)c1 64535480 GMNJGZGAWNUTJE-UHFFFAOYSA-N 353.831 1.714 0 40 FDAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 224296249 GBKLLHGCJMCQIM-UHFFFAOYSA-N 364.427 1.731 0 40 FDAB O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc(Br)cc1 40386556 PNRUIDICQHGLNF-MRVPVSSYSA-N 350.176 1.638 0 40 FDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(F)cc2)cc1 224195949 WSPPYTPJWKKWIW-UHFFFAOYSA-N 366.414 1.885 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2)N1CCCC1 96205969 FOENRBUIIKIIAK-UZLBHIALSA-N 358.438 1.876 0 40 FDAB Cc1nc(C(=O)N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 96182767 AIHOPONYYDSIPP-UHFFFAOYSA-N 367.453 1.584 0 40 FDAB CC(C)C(=O)N1CCN(C(=O)c2cccs2)C[C@@]2(CC(=O)N(C)C2)C1 96036075 SCXZMENRTVZVKL-GOSISDBHSA-N 363.483 1.537 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H](c1ccccc1)n1cnnn1 95476433 KTONMNVQKHJQAC-GOSISDBHSA-N 361.409 1.888 0 40 FDAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(S(=O)(=O)C2CC2)CC3)c1 96051737 CDNGOIVOOXPPSS-HNNXBMFYSA-N 351.472 1.492 0 40 FDAB Cc1oncc1C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C 96050260 LCDHUOCBKZZFTE-IBGZPJMESA-N 372.400 1.685 0 40 FDAB Cc1cc(C)nc(NCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 95477144 RCJYQKNSGBOBHN-UHFFFAOYSA-N 369.351 1.548 0 40 FDAB Cc1csc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)n1 247977155 VQHHMRNJXZMUMF-CYBMUJFWSA-N 371.528 1.514 0 40 FDAB Cn1nccc1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 248077384 ZRASJBKMAGUBJS-CYBMUJFWSA-N 360.389 1.654 0 40 FDAB CC(C)(C(=O)NC[C@@]1(O)CCN(c2cnccn2)C1)c1cccc(F)c1 257309405 UAUXJYXGZMDVDU-IBGZPJMESA-N 358.417 1.651 0 40 FDAB COCCN(Cc1ccoc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 85474364 KHOUBLCQAHHJEA-UHFFFAOYSA-N 366.439 1.819 0 40 FDAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257279410 OGLFVZOHFRIDLZ-MBOZVWFJSA-N 372.469 1.226 0 40 FDAB CNc1cc(C)nc([C@@H]2COCCN2S(=O)(=O)c2cccs2)n1 257267273 MGOZGORBKVIXFK-NSHDSACASA-N 354.457 1.650 0 40 FDAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 257268764 MNBCIIJYHAEMHK-ZDUSSCGKSA-N 351.414 1.549 0 40 FDAB COc1ccccc1Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 257271195 MXFYXLFFZLPGRY-QGZVFWFLSA-N 374.462 1.940 0 40 FDAB O=C(c1cccc(O)n1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257269471 MQBWJPWQULUWHC-FQEVSTJZSA-N 353.422 1.423 0 40 FDAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 257255496 KHSOFDKPZNMVNY-CYBMUJFWSA-N 353.382 1.941 0 40 FDAB CC(=O)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@@H]1C(N)=O 257221339 DOOWZMMNULNNTR-GOSISDBHSA-N 367.405 1.637 0 40 FDAB CC[C@H](C)[C@H](C(=O)N[C@H](c1ccccc1)c1nccn1C)n1cnnn1 1615154247 FJHIVKZFRIPOMA-NUEKZKHPSA-N 353.430 1.900 0 40 FDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C(=O)NCCC2 96124399 FXFZSWHOAWTHTB-QMMMGPOBSA-N 354.432 1.671 0 40 FDAB Cn1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C2CCOCC2)n1 644406966 HBQUOBOUKNYMCW-CQSZACIVSA-N 358.446 1.458 0 40 FDAB Cc1cncc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)c1 575403522 FXVAJXLRMVGESA-KZNAEPCWSA-N 366.421 1.302 0 40 FDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)N1CCN(Cc2ccccc2)CC1 585281421 ZVRMZQUTQYVYIH-FQEVSTJZSA-N 359.470 1.094 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)c(=O)n1C 585273996 XVQVRHLGERGEKG-HXUWFJFHSA-N 356.422 1.140 0 40 FDAB COCCN1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104783 TUNTUWKMWPABOB-HNNXBMFYSA-N 374.363 1.197 0 40 FDAB COCC(=O)N1CC(F)(F)C[C@@]2(CCN(c3ccc(C)nc3)C2=O)C1 585093059 IDKMLYMMLWEDNE-INIZCTEOSA-N 353.369 1.627 0 40 FDAB COCCN1CC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O 585093247 LPZMWHQRWQGWAK-HNNXBMFYSA-N 356.373 1.064 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)CCOc2cccc(F)c2)CC[C@H]1OC 585275367 DFPOSEMOGMRJMS-CZUORRHYSA-N 352.406 1.594 0 40 FDAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4cc(C)ccc4o3)C2)C1 685941883 IWSGTUKWSQUFEW-ZDUSSCGKSA-N 355.394 1.160 0 40 FDAB C=CC(=O)Nc1ccc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc1 1297349770 HPQHNYFLAGBYIR-UHFFFAOYSA-N 350.440 1.850 0 40 FDAB CCOC(=O)CN(C)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 58018035 WNGKCEMVDIEREX-INIZCTEOSA-N 350.415 1.471 0 40 FDAB CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)C1CC1 1565522916 VXXUWFYTMSLDHG-UHFFFAOYSA-N 362.459 1.004 0 40 FDAB O=C(c1csnn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615153959 DAHHLTWTXHFKHK-KRWDZBQOSA-N 358.423 1.576 0 40 FDAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCC3)c(=O)n12 12145244 MHHDNGQBVUKQLN-UHFFFAOYSA-N 353.426 1.964 0 40 FDAB O=C(c1ccncc1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267388 DFJINEDEFANUOQ-KRWDZBQOSA-N 372.450 1.664 0 40 FDAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(C(=O)C2CC2)CC1 14083453 GOSKNENZUHPGMZ-UHFFFAOYSA-N 362.451 1.631 0 40 FDAB CCCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14397273 BYEGUOBCIGSGIW-UHFFFAOYSA-N 356.444 1.878 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)c1 17074224 GXLSGIGXNYFEDT-AWEZNQCLSA-N 360.414 1.373 0 40 FDAB CN(C)C(=S)/N=c1\ss/c(=N\S(=O)(=O)c2ccccc2)n1C 17779054 SBKWMFIUFUWODE-XSYHWHKQSA-N 374.538 1.185 0 40 FDAB CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19523578 NHSGKNQKPKXFEJ-LSDHHAIUSA-N 368.485 1.533 0 40 FDAB Cc1nn(C)cc1CN1CCC[C@H](c2nnsc2S(C)(=O)=O)C1 19583801 FKVSFAHDYAQHTQ-NSHDSACASA-N 355.489 1.363 0 40 FDAB C[C@H](NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)C1CC1 19751647 GHSNYHACPALQKA-ZDUSSCGKSA-N 371.412 1.832 0 40 FDAB O=S(=O)(N1CCCC1)N1C[C@H](CN2CCOCC2)c2ccccc21 19374938 LTYOTYQCIFFESJ-HNNXBMFYSA-N 351.472 1.263 0 40 FDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(N2CCC(OC)CC2)C1 575611537 ZWAUVABHCMGAMH-UHFFFAOYSA-N 374.890 1.832 0 40 FDAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)N3CCNC3=O)c2C)cc1 5448690 VOFFPCGOYQKDQQ-UHFFFAOYSA-N 370.409 1.565 0 40 FDAB COc1ccc([C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C(C)C)cc1 10678899 BFIBZIFQWUTTFT-QGZVFWFLSA-N 369.425 1.652 0 40 FDAB CC(C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 11396023 YLEIKXWRNXXMSZ-UHFFFAOYSA-N 356.444 1.339 0 40 FDAB O=C(c1cccc(O)n1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850038 XYPYGEHPLVLOKL-ZIAGYGMSSA-N 351.410 1.663 0 40 FDAB CC(C)CS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888869708 UNFVDIIUOYDVPF-GASCZTMLSA-N 362.499 1.927 0 40 FDAB Cn1cnc2c(N3C[C@H]4CCC[C@]4(COc4ncc(F)cn4)C3)ncnc21 1888903947 LITXHQSRJWHYDV-KZULUSFZSA-N 369.404 1.978 0 40 FDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1=O 2056214949 IIDIVDKLGFAMNB-UZLBHIALSA-N 358.438 1.145 0 40 FDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cc(C2CC2)on1 1614929159 VRSGGASLOPAPGI-LLVKDONJSA-N 353.386 1.605 0 40 FDAB CC(C)(C)c1cn2nc(N3CCCN(CCn4nccn4)CC3)ccc2n1 2087022426 SSZBFEUBDFUUDE-UHFFFAOYSA-N 368.489 1.831 0 40 FDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)n1 1565555694 FVMGQBGXVGHMSX-HNNXBMFYSA-N 357.414 1.191 0 40 FDAB Cc1cccc(F)c1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565542593 CTADHSVTROBVEM-AWEZNQCLSA-N 354.389 1.895 0 40 FDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2ccnnc2)CC1 2055730280 UAJOVZQCYCUMJE-UHFFFAOYSA-N 371.416 1.791 0 40 FDAB CN(C)CCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714796 RUENDGAJYQRZRP-AWEZNQCLSA-N 361.490 1.186 0 40 FDAB CSc1nc(C)c(C)c(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)n1 2086856802 OGHYAGOTZPBZNP-HNNXBMFYSA-N 363.531 1.947 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccc(OC)c1 4314888 KEXBIGFVSSZNMX-AWEZNQCLSA-N 356.378 1.950 0 40 FDAB CC(C)N1C(=O)c2ccc(C(=O)NCC[C@H]3CCCO3)cc2S1(=O)=O 40153344 VHKKKKKMKNCRML-CYBMUJFWSA-N 366.439 1.538 0 40 FDAB O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)N[C@@H]1CCS(=O)(=O)C1 32089504 INUMCPYVVCHUTO-OAHLLOKOSA-N 374.422 1.643 0 40 FDAB C[C@H]1CN(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc32)C[C@@H](C)O1 32815226 ITRFCMVRGHJKJB-KFWWJZLASA-N 353.488 1.381 0 40 FDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 52949818 IBQRVCRSFZPELK-CYBMUJFWSA-N 362.407 1.165 0 40 FDAB COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccco2)N(C)C)cc1 23976211 PWGIRIQFKKKIDA-MRXNPFEDSA-N 359.426 1.827 0 40 FDAB CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 664568 YWYPBJNGTLWTES-UHFFFAOYSA-N 365.386 1.701 0 40 FDAB CC(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 1378076 MOONESHRTWQWSH-HNNXBMFYSA-N 358.394 1.827 0 40 FDAB C[C@H](Sc1nncn1C)C(=O)NCCNc1ccc(C(F)(F)F)cn1 56883167 CCENZXYGAFVJBU-VIFPVBQESA-N 374.392 1.938 0 40 FDAB CCOc1cccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)c1O 6964954 VQZMHRIWDUDWSZ-FLIBITNWSA-N 350.396 1.364 0 40 FDAB O=C(N[C@@H]1CCCc2ccccc21)C1=CN2CCS(=O)(=O)N=C2C=C1 7038006 GSOXHEYCUDZFCE-MRXNPFEDSA-N 357.435 1.678 0 40 FDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 7685660 NYTCWTDNHBZMAM-ZDUSSCGKSA-N 361.485 1.591 0 40 FDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cn(C)nc32)c(OC)c2c1OCO2 35326508 XBXQHRLYTXSVHU-GFCCVEGCSA-N 371.349 1.534 0 40 FDAB Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)cc1 8605449 NUEXXPQYZVAUBQ-UHFFFAOYSA-N 357.391 1.538 0 40 FDAB COc1ccccc1C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 97569671 VBMCSGMHRUNQHW-BETUJISGSA-N 357.362 1.372 0 40 FDAB CC1CCN([C@H](C)CNC(=O)CCn2nnc3ccccc3c2=O)CC1 58179932 QYVQFYAMAXHJOO-OAHLLOKOSA-N 357.458 1.418 0 40 FDAB CCOC(=O)NCC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 58328221 YLHDWBGUYOKUAV-UHFFFAOYSA-N 372.219 1.558 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2Cl)CC1 58209018 YWNILDGVZFQIPL-UHFFFAOYSA-N 359.879 1.811 0 40 FDAB Cc1nn(C)c(C)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 10953854 NRQQSCHXPLXSFH-UHFFFAOYSA-N 351.428 1.644 0 40 FDAB C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)N(C)C 28948342 UHUFKCTZIGIGCD-SECBINFHSA-N 353.473 1.451 0 40 FDAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23402421 NDVNBRIOKJYFDN-UHFFFAOYSA-N 351.409 1.099 0 40 FDAB COC(=O)CCNC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61722115 QHDDKVXHHFTZRG-UHFFFAOYSA-N 364.785 1.900 0 40 FDAB Cc1cc(=O)oc2cc(OCC(=O)NCc3nnc4ccccn34)ccc12 19603742 IUUKMYYOMAZZAL-UHFFFAOYSA-N 364.361 1.839 0 40 FDAB biogenic O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)CCC2 12972934 CTBYZKOCTDKABF-UHFFFAOYSA-N 373.478 1.885 0 40 FDAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@H]5C3=O)nc2c1 3882697 ZTKYSQQEFVALOZ-FIHUPRISSA-N 358.375 1.676 0 40 FDAB CCCn1nnnc1COC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 14067492 KKUHMHYVVAUVLQ-UHFFFAOYSA-N 367.431 1.127 0 40 FDAB O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCO2 65567477 GAFNVGOLABOMCG-UHFFFAOYSA-N 372.406 1.721 0 40 FDAB O=C(O)C[C@]1(C(=O)O)CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O 96318896 YEBVCWDLKFOAJG-BMIGLBTASA-N 367.404 1.925 0 40 FDAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 4794560 WNPCADDTHHEWIB-DGCLKSJQSA-N 354.428 1.624 0 40 FDAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)C1=COCCO1 62022985 YZOLRCYCISVUAT-NSHDSACASA-N 356.338 1.417 0 40 FDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCOCC2)cc1 6831227 XSJXTYGBDGLCRX-UHFFFAOYSA-N 364.405 1.872 0 40 FDAB CCN1CCC[C@H]1CNC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 9530502 MZOISPPSQSFVLT-NSHDSACASA-N 365.869 1.799 0 40 FDAB CC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 7813279 HXZNGVFSXTWPOG-UHFFFAOYSA-N 355.394 1.879 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCO2)c1 8326230 VLXSRIJIAJWODE-CQSZACIVSA-N 354.472 1.934 0 40 FDAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409387979 BSBYABAYHVYIAB-SECBINFHSA-N 369.270 1.813 0 40 FDAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1CC 95994930 LJEMFLSJIDXVJB-QWHCGFSZSA-N 370.471 1.876 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409298045 VOQCSMAVAUIYMP-MMMWYMCRSA-N 357.362 1.271 0 40 FDAB Cc1nc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)sc1C 32093070 KEYCXNPDTTXBIF-ZDUSSCGKSA-N 372.450 1.868 0 40 FDAB O=C(NC[C@@H](CC1CC1)C(=O)O)[C@H]1CCCN(C(=O)N2CCCC2)C1 563261562 HNOGTWDARONFCR-LSDHHAIUSA-N 351.447 1.531 0 40 FDAB COc1cccc(-c2c3c(=O)n(-c4ccn[nH]4)ccc3nc3ncnn23)c1 40398283 DJONFXKEQOTIGA-UHFFFAOYSA-N 359.349 1.827 0 40 FDAB CN(C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cn(C)c2ccccc12 75149169 FYRQILWOSJQJSR-MRXNPFEDSA-N 356.426 1.046 0 40 FDAB CSc1nn(CCN2CCOCC2)c2nc3sc(C)cc3c(=O)n12 40287465 LBJFLBFABYIPAK-UHFFFAOYSA-N 365.484 1.468 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCC3)s1 48278527 CGFQVWFBTCDECT-UHFFFAOYSA-N 350.465 1.857 0 40 FDAB CC(=O)c1cc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)n(C)c1 331797732 ANVKXSVDMUMYEK-UHFFFAOYSA-N 361.427 1.570 0 40 FDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccccc1 96223846 UOHPEMXHJOMDMU-INIZCTEOSA-N 355.394 1.839 0 40 FDAB Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239025 JYRBKEDWESCMKY-IBGZPJMESA-N 354.410 1.778 0 40 FDAB CCOC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1 96207343 URGGQUQQZZVNPZ-HNNXBMFYSA-N 357.410 1.849 0 40 FDAB COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)on1 502712926 OSECEEPQRWLIPH-RYUDHWBXSA-N 352.366 1.630 0 40 FDAB CCS(=O)(=O)C[C@@]1(c2ccc(Br)cc2)OC[C@H](CO)O1 96531778 ZXNQLFJLXXQDJT-QWHCGFSZSA-N 365.245 1.444 0 40 FDAB Cc1ccoc1C(=O)N1CC[C@H]2OCC[C@@]2(CCNS(C)(=O)=O)C1 96206711 GIONLHRHFSFPPS-CJNGLKHVSA-N 356.444 1.149 0 40 FDAB CCn1cc(N2C[C@@H](C(=O)Nc3cc(OC)ccc3OC)CC2=O)cn1 96101478 GMQVUIKBUABAFN-LBPRGKRZSA-N 358.398 1.912 0 40 FDAB COc1ncccc1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 247839930 KMRINTYCXUJUFM-HNNXBMFYSA-N 369.421 1.933 0 40 FDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257305787 SRMVZTOYVGYUNE-KRWDZBQOSA-N 357.458 1.499 0 40 FDAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(CC(=O)N(C)C)C2)n1 257257458 KPQLZKGKCAQYEX-CQSZACIVSA-N 355.446 1.586 0 40 FDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCCn2cccn2)n1 257291748 QILKUBXPSVSNJU-KRWDZBQOSA-N 356.430 1.453 0 40 FDAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCOCC2)cc1OC 253409167 ZSFNWTCAPHIRJG-NSHDSACASA-N 362.382 1.885 0 40 FDAB biogenic,in-vitro CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc2sc(C(=O)O)cc2c1 263244084 MDPPYZJWFLJIMU-UHFFFAOYSA-N 356.425 1.866 0 40 FDAB Cc1cc2nc(NC(=O)c3cccc(-n4cncn4)n3)cc(N(C)C)n2n1 1775997268 DCHJWYACYUCPSN-UHFFFAOYSA-N 363.385 1.332 0 40 FDAB CO[C@H](CS(=O)(=O)N1CCO[C@@H]2CCOC[C@H]21)c1ccc(F)cc1 625227445 OGULBMNZDSVFNN-BZUAXINKSA-N 359.419 1.333 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](n3cccn3)C2)s1 643417662 NFMGUZWXAZFXFE-NSHDSACASA-N 354.457 1.505 0 40 FDAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)c(C)c2)C1 643695532 QZKXIKLEVSJLOC-KRWDZBQOSA-N 354.472 1.096 0 40 FDAB CCN(c1cnn(C)c1)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 655593381 JXRVDMQNGTZYRI-UHFFFAOYSA-N 357.363 1.238 0 40 FDAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCO[C@](C)(C(F)F)C1 663315928 QCLBZQGYMLSRNQ-GTNSWQLSSA-N 356.369 1.746 0 40 FDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccc(-c2ccccn2)n1 96098894 XOKJCCNIJDAUET-UHFFFAOYSA-N 363.377 1.669 0 40 FDAB O=C(CCCn1ccnc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585271985 JHVUNCGYFJGMMV-LJQANCHMSA-N 359.426 1.332 0 40 FDAB COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 55219269 RZINSIGUCWGATE-GJZGRUSLSA-N 356.488 1.781 0 40 FDAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccccc1-n1cccn1 57074244 RCJBLJYYCJWMRI-LBPRGKRZSA-N 351.453 1.731 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCN1CCC[C@H](N2CCCC2)C1 77315333 CPBULQSJOIHUDF-ZDUSSCGKSA-N 350.488 1.736 0 40 FDAB O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc(N2CCCC2)nn1 557024673 GCSCVAGOGIYWOZ-KRWDZBQOSA-N 367.453 1.896 0 40 FDAB COc1ccc([C@@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)O)OCO4)cc1 5809684 RQIGESLKGRMDPM-AOIWGVFYSA-N 374.345 1.330 0 40 FDAB Cc1nccn1CCC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 12116294 CKWUHQHGHLQHMR-UHFFFAOYSA-N 354.410 1.723 0 40 FDAB Cc1nnc(NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)s1 12229761 JFYQESZLQVDZBK-JTQLQIEISA-N 367.456 1.532 0 40 FDAB COCCC(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3cnccn3)n2)C1 19584662 DCHDWZXCTGWQBA-AWEZNQCLSA-N 370.457 1.742 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCC(C)(C)c3cccc(F)c3)cnc21 19716130 MYSLJYNLXMZFOZ-UHFFFAOYSA-N 357.389 1.363 0 40 FDAB COc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc(OC)c1 5127910 UYUVAJWFIUUJBO-KPJFGDCZSA-N 357.387 1.539 0 40 FDAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@H]3CCCCO3)C2)n1 1888857201 IHUUJERHQXZITL-GOSISDBHSA-N 369.421 1.871 0 40 FDAB Cc1noc(C)c1C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888904170 IGRFABIMOMREIN-CHWSQXEVSA-N 367.413 1.177 0 40 FDAB C[C@@]1(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)CC=CCC1 1565546228 XDQWNEKAVVXFCK-DOTOQJQBSA-N 370.515 1.822 0 40 FDAB Cc1ccccc1Cn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4370661 ILEYUDIQDNRAMS-UHFFFAOYSA-N 351.410 1.660 0 40 FDAB Cc1ccc(C(=O)Nc2ccc(SCC(=O)N3CCOCC3)nn2)cc1 13701675 NXFYHIVMXGKOJW-UHFFFAOYSA-N 372.450 1.988 0 40 FDAB CN(CC(=O)Nc1nc(-c2cccnc2)cs1)C(=O)c1ccc(=O)[nH]c1 44458975 DCQAKNYBZKJBSW-UHFFFAOYSA-N 369.406 1.604 0 40 FDAB COc1ccc(OC)c2c1CN([C@@H](C)c1nc(N)nc(N(C)C)n1)C[C@H]2O 40086086 OYQCEEJKOREFHH-CMPLNLGQSA-N 374.445 1.147 0 40 FDAB CN1CCN(C(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 20412068 DFJYNJMGDYJTJO-UHFFFAOYSA-N 358.442 1.024 0 40 FDAB COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 101023619 MNHNNZZJJRVKLE-SCZZXKLOSA-N 371.136 1.377 0 40 FDAB CN(C)[C@@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 32202804 WTQMLUAHSJIXBO-SFHVURJKSA-N 365.437 1.601 0 40 FDAB O=C(O)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 32918686 KELLYVJVBVOQSG-UHFFFAOYSA-N 356.353 1.895 0 40 FDAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@H]3CCS(=O)(=O)C3)cc12 32925911 GUHCSILQBOOWEA-NSHDSACASA-N 365.407 1.993 0 40 FDAB CCOC(=O)NCCC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 52807671 JZMAXDJNXHBUGS-UHFFFAOYSA-N 368.821 1.351 0 40 FDAB Cc1ccc(NC(=O)c2cccc(C(=O)N(C)C)c2)cc1-n1cnnn1 102987188 YHXXIQNKILEPQI-UHFFFAOYSA-N 350.382 1.925 0 40 FDAB CN(C)C(=O)[C@H]1CCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 54173123 KDUCAMTZOXQDQD-CYBMUJFWSA-N 368.363 1.734 0 40 FDAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c(F)c1 23249270 TZYHIDYIPZKTJD-UHFFFAOYSA-N 362.449 1.313 0 40 FDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O 106758950 AHYKESFVVARNCQ-DVOMOZLQSA-N 364.467 1.913 0 40 FDAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 4303876 WMQVUFQHFHOUOZ-LBPRGKRZSA-N 365.393 1.597 0 40 FDAB Cc1ccccc1CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 35286690 HWXFDPFTCBAVEE-LJQANCHMSA-N 351.450 1.566 0 40 FDAB Cc1ccc(NC(=O)Cn2nc3c(N4CCCC4)nccn3c2=O)c(C)c1 71328195 GRMTYHOEIGATGK-UHFFFAOYSA-N 366.425 1.747 0 40 FDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ccccc1 7988239 QFYOXUJMXXURGK-OAHLLOKOSA-N 364.423 1.672 0 40 FDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NCc1ccc(F)cc1 35301236 WCWURPNSOXHZNZ-UHFFFAOYSA-N 361.442 1.961 0 40 FDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35485417 GHLXWEHCRWFQQO-KZOCLIRJSA-N 355.438 1.842 0 40 FDAB C[C@H]1CCCN1CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 73333715 ZSVRCNJACWLUKZ-INIZCTEOSA-N 374.485 1.171 0 40 FDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 58161513 ZHSMHOLYGDIGJQ-OAHLLOKOSA-N 361.442 1.391 0 40 FDAB Cc1nnc(C)n1N1CN(C[C@@H]2CCCO2)c2nc3ccccc3n2C1 9262144 WWSZGNWBPPCFRI-HNNXBMFYSA-N 353.430 1.797 0 40 FDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1 9288624 RAUQCPFTHNBTSP-JSGCOSHPSA-N 366.439 1.496 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C 9682993 WVBSBIZDPAACFO-LBPRGKRZSA-N 352.387 1.212 0 40 FDAB O=C1C[C@@H](C(=O)c2ccccc2)NC(N2CCN(c3ccccc3)CC2)=N1 9936864 FXHCZHFQEADORC-SFHVURJKSA-N 362.433 1.936 0 40 FDAB CCNc1nc(OC)nc(N(OC)S(=O)(=O)c2ccc(C)cc2)n1 2258475 AESSXMSYLSSKOV-UHFFFAOYSA-N 353.404 1.377 0 40 FDAB CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2F)cc1 10758279 VYHDIQQTLALXHH-UHFFFAOYSA-N 372.443 1.353 0 40 FDAB O=C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 12391165 ZGBIYBLJBZDAES-SFHVURJKSA-N 351.406 1.614 0 40 FDAB COc1ccc2[nH]cc(CC(=O)NCCC(=O)NCc3ccccn3)c2c1 96012238 LZKYNHBOXPIJEZ-UHFFFAOYSA-N 366.421 1.937 0 40 FDAB Cc1cc(C)cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 12755774 RGJDNPSUEWAPDD-UHFFFAOYSA-N 356.426 1.996 0 40 FDAB O=C(Nc1cccc(Cl)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12910402 RJDXMMMYYYYITI-AWEZNQCLSA-N 357.863 1.677 0 40 FDAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 39518220 GWOFWKLWPADWLW-ZDUSSCGKSA-N 370.453 1.767 0 40 FDAB Cc1csc2nc(COC(=O)CCNC(=O)c3ccco3)cc(=O)n12 6180506 BHMHUBGAVPDSGF-UHFFFAOYSA-N 361.379 1.521 0 40 FDAB O=C(Cn1nc(-c2ccco2)oc1=O)Nc1cccc(C(=O)NC2CC2)c1 9389898 XQAQLDDBMITPGB-UHFFFAOYSA-N 368.349 1.627 0 40 FDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 6905534 ILDGBVZBDXUUTK-UHFFFAOYSA-N 369.377 1.828 0 40 FDAB CC1CCN(C(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1 15842659 UMVUHSWOIIWHIP-CYBMUJFWSA-N 350.440 1.871 0 40 FDAB COc1cccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)c1 9096620 VVZVNRPSDRGTBD-UHFFFAOYSA-N 362.444 1.932 0 40 FDAB COc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1Cl 9043409 KGFSBTIWPSBRIU-UHFFFAOYSA-N 359.769 1.991 0 40 FDAB CN(CC(=O)NC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)CC(=O)NC(C)(C)C 95995921 JEDCOIQHQUYVFY-HOTGVXAUSA-N 368.566 1.991 0 40 FDAB O=C(NCC1(OCCO)CCC(C(F)F)CC1)c1cnc2[nH]cnc2c1 1558610292 AJSPZCJRPXPGLO-UHFFFAOYSA-N 368.384 1.891 0 40 FDAB NC(=O)c1cccc(CCNC(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 178886136 RMKSORUCANMOOO-MJGOQNOKSA-N 370.497 1.986 0 40 FDAB COc1ccc([C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C2CC2)cn1 527917574 LTSBMSVDSFCYHZ-SQWLQELKSA-N 358.402 1.072 0 40 FDAB CCc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3occc3n12 72346403 GTHKZZKXFYRGBE-UHFFFAOYSA-N 368.397 1.208 0 40 FDAB C[C@H]1Cc2ccccc2N1C(=O)CNC1=NS(=O)(=O)c2ccccc21 32975213 LQHFKIDYCQDTTA-LBPRGKRZSA-N 355.419 1.703 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 32081743 VLONFNAPHUMULR-UHFFFAOYSA-N 350.396 1.912 0 40 FDAB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)NC1=S 39556412 WPYNMWFXGBYBME-DHDCSXOGSA-N 368.462 1.997 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ncc4ccccn34)ccc21 36055879 FAEPWOXUVSYUML-UHFFFAOYSA-N 372.406 1.300 0 40 FDAB O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCO 40692166 BURKNBQIGKAWAC-UHFFFAOYSA-N 358.641 1.078 0 40 FDAB COc1ccc(C(=O)N2CCN3C(=O)N(Cc4nccn4C)C[C@H]3C2)cc1 77266406 ASUXPXCRVBFESC-OAHLLOKOSA-N 369.425 1.191 0 40 FDAB biogenic,in-vitro Cc1ccccc1NCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 570658949 LIANEAQNZXCEJI-HOTGVXAUSA-N 352.456 1.212 0 40 FDAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(CC3CCCCC3)C2)C1=O 225380276 WULCZNZHPZCUHR-SJORKVTESA-N 363.502 1.225 0 40 FDAB biogenic,in-vitro CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 224736120 ICHPHQWZYZIQQL-UHFFFAOYSA-N 360.848 1.971 0 40 FDAB Cc1cccc(C(=O)NC[C@@H]2CNCCO2)c1I 235924748 WDQMTGCKHNCQHW-JTQLQIEISA-N 360.195 1.318 0 40 FDAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc2ccccc2n1C 237320176 BYYRLSKJJDMBJD-UHFFFAOYSA-N 357.410 1.574 0 40 FDAB CN(C)C(=O)COC[C@@H]1CN(c2noc(C(C)(C)C)n2)CC(C)(C)O1 583616721 IASHTSQKMXWCDN-LBPRGKRZSA-N 354.451 1.456 0 40 FDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 96079308 NKSGFYDYIYQZLH-OAHLLOKOSA-N 350.422 1.884 0 40 FDAB COc1ccc2[nH]c(C(=O)N3CCN(S(C)(=O)=O)CC3)c(C)c2c1 96118746 SFDCIPARKRSJEN-UHFFFAOYSA-N 351.428 1.202 0 40 FDAB CC(C)NC(=O)N1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2 96240208 GKIVPGIAOWQAAK-INIZCTEOSA-N 353.444 1.300 0 40 FDAB CCOCCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 96145707 KHWWSCZTBPWVNV-GJZGRUSLSA-N 354.472 1.569 0 40 FDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 247884894 SMHPQXIBSFJITF-MRXNPFEDSA-N 354.410 1.770 0 40 FDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(F)cc1C)C2 247856878 XXSMVYSNTGJVJG-CYBMUJFWSA-N 355.431 1.800 0 40 FDAB COc1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)c2cccn2C)ncn1 248106176 FZLLXLHIXALGTE-AWEZNQCLSA-N 371.441 1.239 0 40 FDAB Cn1cc(CN2CC[C@H](N[C@@H]3CCc4ccc(F)cc43)C2)c(C(N)=O)n1 1775961700 TUSPOTDONCPRQP-DOTOQJQBSA-N 357.433 1.510 0 40 FDAB COCC(=O)N[C@@H]1[C@H]2CCCN(c3cc(C)nc(COC)n3)[C@H]2C1(C)C 1615058287 RSZOPVOQFYSFFZ-FSPWUOQZSA-N 362.474 1.687 0 40 FDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)N1CC(=O)N(C2CC2)C1 644454919 FZGVPDQHMJCELQ-FQEVSTJZSA-N 357.454 1.194 0 40 FDAB CCNC(=O)C(C)(C)CNC(=O)N[C@@H](CC)C(=O)NCc1cccs1 645285984 DRZDZOOVYVWZPS-ZDUSSCGKSA-N 368.503 1.604 0 40 FDAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 652057160 VXDVNMXEODVEMU-KBPBESRZSA-N 368.455 1.308 0 40 FDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1nc(-c2cnn(C)c2)no1 390830817 NQRFFMCRIPBOJW-SNVBAGLBSA-N 371.353 1.283 0 40 FDAB Cn1cc(CN2Cc3ncn(C)c3C[C@H]2COCc2cccnc2)cn1 585094981 YEURVAPSVFCUMS-KRWDZBQOSA-N 352.442 1.692 0 40 FDAB Cc1cc(C)cc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 585112408 PEBDDILQTIHSEP-SFHVURJKSA-N 362.499 1.996 0 40 FDAB Cc1ccnn1CCC(=O)N1CCOC[C@@](O)(COc2ccccc2)C1 585279353 YIGDBJFYEWXCNP-LJQANCHMSA-N 359.426 1.251 0 40 FDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cccn2C1 585099248 YTOUKTRURCMBDQ-OAHLLOKOSA-N 361.467 1.753 0 40 FDAB Cn1cnc(C(=O)N2CCN3C[C@H](OCc4ccccc4F)C[C@H]3C2)n1 585107894 CCPMPEPSLBZEKY-LSDHHAIUSA-N 359.405 1.070 0 40 FDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)CC2)ccc1C(=O)O 671648013 WCQMHDUXABVIJE-GFCCVEGCSA-N 354.428 1.359 0 40 FDAB Cc1csc([C@](O)(CC(=O)N[C@H]2CCCCNC2=O)C(F)(F)F)n1 70004655 OBSPSCBVEHUZAD-TVQRCGJNSA-N 365.377 1.376 0 40 FDAB C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 1151343991 ZEZNGPNNLNVXPX-RTBURBONSA-N 366.417 1.753 0 40 FDAB O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H](Cc1ccccc1)C(=O)O 2164479 BAIZNEMAFFNNOX-HNNXBMFYSA-N 352.346 1.095 0 40 FDAB Cc1ccn(CCC(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)CO3)n1 1615122875 BIGVDFRVECGFIE-FQEVSTJZSA-N 368.437 1.616 0 40 FDAB O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)NCC1CC1 12117421 RWMAFBMGJODFHW-UHFFFAOYSA-N 355.423 1.684 0 40 FDAB COCCN(C(=O)c1cnccn1)c1nc2c(s1)CCc1c-2cnn1C 12146073 MEGOKCBIVHBKBH-UHFFFAOYSA-N 370.438 1.725 0 40 FDAB O=C(c1ccco1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 13267383 OQHBCDDZXWTQJX-MRXNPFEDSA-N 361.423 1.862 0 40 FDAB O=C([C@@H]1CCOC1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268074 NWZQWNWMXWZZBP-CHWSQXEVSA-N 355.398 1.382 0 40 FDAB CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1=O 19460184 WIYXFOOWHPFCFD-UHFFFAOYSA-N 354.366 1.458 0 40 FDAB CC[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccc(OC)c2)no1 19659609 WKAUHULHCYHTPC-CQSZACIVSA-N 358.398 1.415 0 40 FDAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2nnc3n2CCNC3)C1 19710986 FCNJXWPYQXQIAV-OAHLLOKOSA-N 362.437 1.949 0 40 FDAB CC(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19815746 UCMWURRLJSDMHD-UHFFFAOYSA-N 351.406 1.600 0 40 FDAB Cc1csc([C@H]2COCCN2Cc2ccccc2S(N)(=O)=O)n1 606442996 JKAIMPXVPLVYDT-CYBMUJFWSA-N 353.469 1.672 0 40 FDAB COCCn1cc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)cn1 632778514 GRSDCSGOLZOYQB-UHFFFAOYSA-N 372.425 1.563 0 40 FDAB O=C(/C=C/c1cnc[nH]1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643586120 ZFVUZGNDVSOWMZ-QFXKRQDISA-N 357.385 1.708 0 40 FDAB O=C1[C@@H]2[C@H]3[C@H]4[C@H]5[C@@H]([C@H]2[C@@]5(Br)C32OCCO2)[C@]14Br 103646597 GABJUTVSUROVBC-PCZGEFMISA-N 362.017 1.331 0 40 FDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)nc1 1888850447 SOKGNVDATHPIDE-FZKQIMNGSA-N 355.398 1.602 0 40 FDAB CCn1cnc2c(N3CCN(c4ncnc5c4CCC5)CC3)ncnc21 1888897169 YXGYIDIOEKXENL-UHFFFAOYSA-N 350.430 1.452 0 40 FDAB Cn1cnc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 2037840416 MBUUFHUNPLSBLC-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@]12CCN(Cc1cccnc1)C2=O 1614933029 CQPGNLUHIWUNCX-FOIQADDNSA-N 357.454 1.584 0 40 FDAB Cc1nc(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cs1 1565556467 UPWYZQKUNZNWQP-UHFFFAOYSA-N 373.438 1.280 0 40 FDAB O=C(c1csnn1)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565548272 ADVLBZLZUMZMGK-ILXRZTDVSA-N 363.443 1.214 0 40 FDAB COC(CNC(=O)c1c[nH]c2c(c(C)nn2-c2ccccc2)c1=O)OC 10166788 IQHXGONFHHHDDU-UHFFFAOYSA-N 356.382 1.371 0 40 FDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)COc3ccc(F)cc3)cnc21 10250889 YEZYVRIMDMRTMY-UHFFFAOYSA-N 359.361 1.636 0 40 FDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@@H](c2ccc3c(c2)OCO3)N1 12347271 NFSXUGGADPHMTQ-MRXNPFEDSA-N 353.334 1.659 0 40 FDAB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCC2)c2ccsc2)CC1 22766146 RANGHKBAMDRPLT-INIZCTEOSA-N 364.515 1.212 0 40 FDAB O=C1CN(S(=O)(=O)CCc2ccccc2)CCN1c1nccs1 1775966319 XYXZRQKYGRTMEL-UHFFFAOYSA-N 351.453 1.364 0 40 FDAB Cc1cc(=O)c(C(=O)NCc2nnc3n2CCC3)nn1-c1ccccc1 40037556 IPVWYJHXBRCKPZ-UHFFFAOYSA-N 350.382 1.009 0 40 FDAB CN(Cc1ccc(F)cc1F)C(=O)Cn1nc2n(c1=O)CCCCC2 30803170 CUXWCAIHGOUXLO-UHFFFAOYSA-N 350.369 1.708 0 40 FDAB CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 20324115 RRUJDKLONNZXKQ-JQIJEIRASA-N 358.442 1.865 0 40 FDAB CCN(CC)C(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 32272433 UUCIWWYKGPFZLG-UHFFFAOYSA-N 369.469 1.703 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983907 WUXYACOFEURIER-UHFFFAOYSA-N 363.776 1.766 0 40 FDAB COc1cccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102081860 MLBZDPXVBJLMEN-RPLLJCPNSA-N 371.389 1.452 0 40 FDAB Cn1ncc2c(=O)n(C[C@@H](O)COc3ccc4ccccc4c3)cnc21 21491906 VHTXQFAKRDOZHE-OAHLLOKOSA-N 350.378 1.723 0 40 FDAB COc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)C)cc1NS(C)(=O)=O 32771579 MNGABZNQMGIKPU-JTQLQIEISA-N 372.447 1.101 0 40 FDAB CN1CCN(CC(=O)Nc2ccc3c(c2)c(-c2nccn2C)nn3C)CC1 41181223 SUYIXEXOTKPPDG-UHFFFAOYSA-N 367.457 1.160 0 40 FDAB COC(=O)[C@@H](CN1CCN(C)CC1)[C@@H](O)c1ccccc1Br 22916216 WDMWPIJVZPESSG-ZFWWWQNUSA-N 371.275 1.519 0 40 FDAB Cc1noc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 23358637 IZIQMAUNNLJORP-UHFFFAOYSA-N 374.825 1.677 0 40 FDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2cccs2)CC1 24672675 NNFWFCISUAEVLU-NSHDSACASA-N 361.475 1.100 0 40 FDAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789561 HYENQQZUTLADHJ-UHFFFAOYSA-N 359.451 1.799 0 40 FDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cccc(F)c1C(=O)OC 79098269 UQIAZHMQNXTZLC-UHFFFAOYSA-N 360.407 1.148 0 40 FDAB O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Br)cc1 1497563 KSPLRINUGOKVDP-UHFFFAOYSA-N 352.188 1.125 0 40 FDAB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@@]312 4090878 FJCQSIDXADHVFH-LTEYYHEHSA-N 360.450 1.942 0 40 FDAB biogenic COC(=O)COc1cc(OCC(=O)OC)c2c3c(c(=O)oc2c1)CCC3 1776367 KEFMWEOXNSYSAT-UHFFFAOYSA-N 362.334 1.385 0 40 FDAB biogenic CCN(c1ccc(OCC(=O)NCc2cccnc2)cc1)S(C)(=O)=O 10009971 ZMVJCFUBCPJZOP-UHFFFAOYSA-N 363.439 1.563 0 40 FDAB CCOCCCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10010041 OOYYXTWCBMJYBM-UHFFFAOYSA-N 358.460 1.394 0 40 FDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)no1 8039634 CKZCQRDRQDNRTM-ZDUSSCGKSA-N 357.366 1.826 0 40 FDAB C[C@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N1CCNC1=O 58163519 HGSNJRDELIGHMW-HNNXBMFYSA-N 371.485 1.571 0 40 FDAB Cc1csc([C@@](O)(CC(=O)NCC(=O)NC(C)(C)C)C(F)(F)F)n1 58209137 UBIXAJBJJVEAQB-ZDUSSCGKSA-N 367.393 1.622 0 40 FDAB COC(=O)C1(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCC(C)CC1 58227471 BHDGDUXBDVHOLD-BTUGKURYSA-N 350.459 1.873 0 40 FDAB CN1C(=O)c2cccc3c(S(=O)(=O)NCCCCC(N)=O)ccc1c23 95461672 OZRUOLIAOUYPIP-UHFFFAOYSA-N 361.423 1.364 0 40 FDAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 58325338 YZEUQQBUCPLSRH-UHFFFAOYSA-N 372.425 1.317 0 40 FDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCN1CCCc2ccccc21 58393955 VRCDSOXTOXADHQ-OAHLLOKOSA-N 368.524 1.476 0 40 FDAB COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)cn1 10742367 KBIHLXXVRSJLJP-HNNXBMFYSA-N 353.382 1.790 0 40 FDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)Nc1ccc2c(c1)OC(F)(F)O2 45359962 RDUCZVXFMUDLJK-JTQLQIEISA-N 363.338 1.540 0 40 FDAB CN(C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccsc1 29665759 NWJNMDKJOJGHQZ-UTUOFQBUSA-N 363.405 1.924 0 40 FDAB CCCNC(=O)[C@@H](C)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466713 IXAJWPZFHWJVDU-CJNGLKHVSA-N 366.893 1.399 0 40 FDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(C)cc1C(=O)OC 48269790 BBIFZMUYKOEYOL-UHFFFAOYSA-N 367.383 1.482 0 40 FDAB COC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 61721505 TXZICXYKTARUMB-UHFFFAOYSA-N 355.394 1.938 0 40 FDAB Cc1c(C(=O)NCc2ccc(-n3cncn3)nc2)[nH]c2c1C(=O)CCC2 48288590 GBAJJZYVQDPNLP-UHFFFAOYSA-N 350.382 1.748 0 40 FDAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1S(N)(=O)=O 12780749 SOKHNZYQGDUSBF-UHFFFAOYSA-N 362.407 1.942 0 40 FDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)no1 3406731 BMICGDSGCGVAGF-QGZVFWFLSA-N 372.337 1.117 0 40 FDAB COc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1 20149931 QHEAREBENILWNA-UHFFFAOYSA-N 354.414 1.568 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)C1 12997401 HTFIOTDNXVFDPB-BETUJISGSA-N 357.410 1.595 0 40 FDAB Cc1cc(N2CCn3cc(CC(=O)NC(C)C)nc3[C@H]2C)n2ncnc2n1 306144829 ZPRWAPUTTIDJQX-CYBMUJFWSA-N 368.445 1.278 0 40 FDAB O=C(N[C@@H](C(=O)O)[C@@H](O)c1ccc2c(c1)OCO2)OCc1ccccc1 39475098 PHFXRWNRHDASFI-CVEARBPZSA-N 359.334 1.828 0 40 FDAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)c(C)c1 6064428 CHHGIPFOFFHDOQ-UHFFFAOYSA-N 361.467 1.944 0 40 FDAB CSCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9484461 OTDSMVYOJVUPEG-UHFFFAOYSA-N 350.412 1.161 0 40 FDAB CN(C)c1nc(N)nc(COc2cccc(I)c2)n1 13985002 JQJBOCWCVXNBAC-UHFFFAOYSA-N 371.182 1.703 0 40 FDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 6882196 DMNBQKXOBSEDEE-GFCCVEGCSA-N 352.354 1.243 0 40 FDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1)N1CCOCC1 66936045 JGAFBOUEBYJNPG-HNNXBMFYSA-N 374.409 1.367 0 40 FDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NCCC1=CCCCC1 5870860 SKHPPFRRBHKIFC-UHFFFAOYSA-N 369.421 1.984 0 40 FDAB Cc1nc(C)n(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)n1 4937243 XNVXILALCIJAQJ-ZDUSSCGKSA-N 355.394 1.930 0 40 FDAB O=S1(=O)N=C2N=CN(Cc3nc(-c4ccco4)no3)N2c2ccccc21 71890320 PYQFXMXTDXTSFW-UHFFFAOYSA-N 370.350 1.653 0 40 FDAB CC(C)c1cccc(N(C)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 68300805 VWORALPYAVJBKA-AWEZNQCLSA-N 367.471 1.259 0 40 FDAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 69565215 DFEVASPLJSAWDI-CYBMUJFWSA-N 363.462 1.845 0 40 FDAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8746437 VVBQOUDKUGJYIZ-GDBMZVCRSA-N 365.499 1.781 0 40 FDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N1CCc2ccccc2C1 8987699 DWDBDJPZONEZGA-SFHVURJKSA-N 363.417 1.734 0 40 FDAB CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409221839 VJNSCFOMDDPSNA-UXBLZVDNSA-N 369.171 1.825 0 40 FDAB O=C(CNC(=O)NC1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1=O 89834905 XEGCFFYVTCPYQC-KRWDZBQOSA-N 372.469 1.536 0 40 FDAB CN(C)c1nccc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 77193123 RYSOECHKRHJATQ-UHFFFAOYSA-N 361.471 1.444 0 40 FDAB COc1ccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)cc1 306124747 BYHJTDCQYFJGBH-INIZCTEOSA-N 355.442 1.541 0 40 FDAB COCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941571 BTETZBBLJCKGRB-SNVBAGLBSA-N 364.851 1.266 0 40 FDAB C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@H]1O 67903613 UGXCXZZEKHRPJT-ZKFXQVPSSA-N 368.470 1.505 0 40 FDAB biogenic,in-vitro CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1=O 32859570 DFYUAFNHSJWLDH-NSHDSACASA-N 361.398 1.703 0 40 FDAB CCCNC(=O)COC(=O)CNC(=O)c1ccc(OCC)c(OCC)c1 32896004 OQWTXANQFNWTHV-UHFFFAOYSA-N 366.414 1.283 0 40 FDAB CCCS(=O)(=O)N1CCC(NC(=O)CC2CCC(C(=O)O)CC2)CC1 520587174 WTWAKKPDDJQWDV-UHFFFAOYSA-N 374.503 1.588 0 40 FDAB Cc1nc2ncc3c(=O)n(CC(=O)NCCC4=CCCCC4)ccc3n2n1 79484098 CKOYJBWQZQEKTC-UHFFFAOYSA-N 366.425 1.754 0 40 FDAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)ncc1C(N)=O 72345407 IPDMWRPBBXUEJZ-AWEZNQCLSA-N 364.402 1.549 0 40 FDAB CN(c1ccccc1)S(=O)(=O)c1cncc(Br)c1NN 72210867 FFWQBDAMVUQEMG-UHFFFAOYSA-N 357.233 1.955 0 40 FDAB CC(C)c1nnc(NC(=O)CSc2nnc(SCC(N)=O)s2)o1 40087956 VMAVQCPLHHMUTK-UHFFFAOYSA-N 374.473 1.353 0 40 FDAB O=C(NCc1cccnc1)c1cnc(O)n(Cc2ccccc2F)c1=O 75172516 AZIFNXJEOKWTCV-UHFFFAOYSA-N 354.341 1.461 0 40 FDAB Cc1nc(NC(=S)NCCN2CCOCC2)ccc1Br 223891685 TZFNPBDLRDDNSY-UHFFFAOYSA-N 359.293 1.771 0 40 FDAB C[C@H]1N=Cc2c([nH]c(=O)n(C)c2=O)N1C(=O)c1ccc(OC(F)F)cc1 226820472 RHIRASSOECVFEY-QMMMGPOBSA-N 364.308 1.100 0 40 FDAB CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)c2ccc3c(c2)OCO3)n1 98211180 FYLRRXCIBWSTPB-UHFFFAOYSA-N 374.349 1.848 0 40 FDAB Cc1csc(CN2CC[C@H]3OCC[C@@]3(COCC(=O)N(C)C)C2)n1 96111167 QIFGMQBAJQAVEW-PBHICJAKSA-N 353.488 1.537 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)COCCN(c2cccnc2)C3)[nH]n1 96239982 YRHXLQXQWBVLRN-UHFFFAOYSA-N 355.442 1.872 0 40 FDAB COc1ccc(-n2cc(CNC(=O)N3CCC[C@@H](CC(=O)O)C3)nn2)cc1 583250598 OTBQNSHAISVLLH-ZDUSSCGKSA-N 373.413 1.672 0 40 FDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](OCc2ccncc2)CO3)n1 96106879 FSCNVNHOJIIFGT-MRXNPFEDSA-N 356.426 1.796 0 40 FDAB O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 95477327 TUNANFRWQCJMEM-AWEZNQCLSA-N 357.462 1.965 0 40 FDAB COc1ccccc1-n1nc(C)nc1CN(C)[C@@H]1CCS(=O)(=O)C1 96133238 IGYMGMNGOKJBAM-CYBMUJFWSA-N 350.444 1.203 0 40 FDAB COc1cc(N2C[C@@H]3C[C@H](C(=O)NCC4CC4)N(C(C)C)[C@@H]3C2)ncn1 96185749 PKMSPPDAFPNPMH-ARFHVFGLSA-N 359.474 1.299 0 40 FDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)NCc3cccnc3)C2)c1 247890432 ASTWHLBPAVFHCQ-VAMGGRTRSA-N 367.449 1.996 0 40 FDAB Cc1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)n(C)n1 248029393 KQAQJIILEKCMEU-MRXNPFEDSA-N 364.515 1.427 0 40 FDAB CCCN1CCC(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 248181121 YRNPAVHBFNXETG-QFBILLFUSA-N 363.527 1.866 0 40 FDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2F)CCOCC1 257308460 TWUDBLKKVKVUSK-AWEZNQCLSA-N 355.431 1.468 0 40 FDAB CCn1ncc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)c1C 257238276 HKGSHZDWRQDHBY-UONOGXRCSA-N 354.476 1.233 0 40 FDAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cnc4ncccn34)n2)C1 257287423 PPXMNMSUUXRUPL-CYBMUJFWSA-N 372.454 1.400 0 40 FDAB CC(C)(C)c1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)[nH]n1 257205044 AXJZCXDSYHEGKT-LJQANCHMSA-N 364.490 1.397 0 40 FDAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2cccc3occc23)C1 257293377 QPFMXBTZYFDKHQ-MRXNPFEDSA-N 358.438 1.783 0 40 FDAB Cn1c(=O)n(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)c2ccccc21 257261231 LGHGVXXBKDTCCY-JXFKEZNVSA-N 370.453 1.390 0 40 FDAB O=C(O)[C@@H]1CC[C@H](C(=O)NCCCn2cccn2)N1Cc1ccccc1 630651251 BESUFMIKIKBWGG-SJORKVTESA-N 356.426 1.507 0 40 FDAB COc1ccc2occ([C@@H](CC(=O)O)c3n(O)c(C)c(C)[n+]3C)c(=O)c2c1 604403981 HDKAYZHGAULWOB-CYBMUJFWSA-O 373.385 1.888 0 40 FDAB biogenic CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccccc2Br)C1 644030706 NWVMFWWSSGLLPD-HNNXBMFYSA-N 355.232 1.552 0 40 FDAB CNc1cc(N2CCC[C@@H]2CNc2cc(OC)nc(COC)n2)ncn1 680331832 ASRGPDLZIPWYEH-GFCCVEGCSA-N 359.434 1.544 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 681943886 PEKMOUBUEUAWCR-MRXNPFEDSA-N 371.393 1.009 0 40 FDAB Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3cncn3C)C2)c(C)n1-c1ccon1 1775960249 ARQSFTGWFUNCLP-HUUCEWRRSA-N 354.414 1.383 0 40 FDAB CN(C)S(=O)(=O)N1CCC(CNc2ncnc3ccsc23)CC1 1776007814 GGCXNTVBCCNSNM-UHFFFAOYSA-N 355.489 1.622 0 40 FDAB CNS(=O)(=O)c1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)co1 292346814 KTDCMUARMVQSGE-GFCCVEGCSA-N 355.460 1.134 0 40 FDAB Cc1noc(CC(=O)N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 585100980 QBWUPOCSFDOWMS-GOSISDBHSA-N 355.398 1.361 0 40 FDAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@]1(O)CCCOC1 585091639 CQAQFHJQWYFECQ-VQTJNVASSA-N 373.453 1.115 0 40 FDAB C[C@@H]1CCCN(C(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 49389720 KREQJMMYRWUIFG-CQSZACIVSA-N 359.426 1.958 0 40 FDAB Cn1c(N2CC[C@@](C)(CCc3ccccc3)C2)nc2c1c(=O)[nH]c(=O)n2C 75106864 GWPIQWFCWCWCBO-HXUWFJFHSA-N 367.453 1.810 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(N2CCC[C@@H]2CO)CC1 96099746 XAVICDLXAMMKBG-OAHLLOKOSA-N 372.462 1.444 0 40 FDAB CCN1CCN(C(=O)NCC2(c3ccsc3)CCOCC2)C(=O)C1=O 952987059 PCDGBKJUWLOXCH-UHFFFAOYSA-N 365.455 1.197 0 40 FDAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 5279250 JKGHKZOZZDNOEG-UHFFFAOYSA-N 360.435 1.947 0 40 FDAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 5886178 AZIPQMRYPVQYKV-UHFFFAOYSA-N 362.407 1.746 0 40 FDAB CCCCN1C(=O)[C@]2(N=C(N)NC(N3CCCCC3)=N2)c2ccccc21 19330871 MWHRSYVXPYLSMF-IBGZPJMESA-N 354.458 1.746 0 40 FDAB CN1CCN(C(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 19617995 UMKROQIKDAUCQJ-UVTDQMKNSA-N 363.414 1.636 0 40 FDAB O=C(CN1CCC[C@@H](NC(=O)c2cnccn2)CC1)Nc1nccs1 19749192 OUBRLNDTXDOHQY-GFCCVEGCSA-N 360.443 1.156 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 583619494 RKQRYYYBAFLATK-NVXWUHKLSA-N 359.430 1.220 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 1254424007 XFDPIBGLERANPO-UHFFFAOYSA-N 371.481 1.895 0 40 FDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccc2nsnc2c1 245053659 PFIWYACOYZDKPA-AWEZNQCLSA-N 357.391 1.926 0 40 FDAB CC(=O)N1CCC(N2CCC3(CC2)CC(=O)NCc2ccccc2N3)CC1 2037981193 YSDJOWLTWQBCLT-UHFFFAOYSA-N 370.497 1.964 0 40 FDAB Cn1cnc(C(=O)N2CCO[C@]3(CCCCN(c4ccccc4)C3=O)C2)c1 2037984859 PZDKDNTZKFOTDJ-HXUWFJFHSA-N 368.437 1.848 0 40 FDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCN(C)C)c2ccccc21 3007573 DYTCTDQVZFRIAA-UHFFFAOYSA-N 372.469 1.370 0 40 FDAB NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4574434 KAJNEQMXZBCRCT-UHFFFAOYSA-N 369.462 1.320 0 40 FDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)Cc3ccc(OC)c(F)c3)C[C@H]2O1 2055714788 RNLWGNIDOJKVRH-WOSRLPQWSA-N 350.390 1.129 0 40 FDAB O=C(COc1ccccc1)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734515 FQHRUNLHFCMKFG-OAHLLOKOSA-N 371.437 1.559 0 40 FDAB CC1CCN(C(=O)CN2CCC(Oc3ccn4nccc4n3)CC2)CC1 2298049391 XZMOWZFVPAKTBA-UHFFFAOYSA-N 357.458 1.831 0 40 FDAB CC(=O)N[C@H]1[C@H](Oc2cc(C)ccc2C)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4042772 YSVLWEZRMAGNEW-DUQPFJRNSA-N 365.426 1.424 0 40 FDAB biogenic O=C(CN1CCN(CCO)CC1)N(Cc1ccccc1)c1ccccc1 40020128 PKZUBXHJXKMQPG-UHFFFAOYSA-N 353.466 1.830 0 40 FDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(F)cc1 40069000 KFODIOXWIRJFLR-UHFFFAOYSA-N 362.405 1.880 0 40 FDAB C[C@@H]1CN(C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 40047453 TUCREPRRHJSWAW-HUUCEWRRSA-N 365.518 1.639 0 40 FDAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22782521 REZPKECDTIQOSV-CYBMUJFWSA-N 364.877 1.563 0 40 FDAB CCc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O 806619 VWLYOHLJGCCJEV-QGZVFWFLSA-N 374.422 1.297 0 40 FDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cn1nc2ccccn2c1=O 24806290 OAUYYOTXVGXIEY-UHFFFAOYSA-N 367.409 1.210 0 40 FDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2nnc(C)o2)C1=O 24919069 KLBSAHKUWPWWTJ-KRWDZBQOSA-N 358.354 1.279 0 40 FDAB C[C@@H](Sc1nncs1)C(=O)N1CCN(C(=O)c2ccco2)CC1 24972248 IMJFFATVMLFZMA-SNVBAGLBSA-N 352.441 1.596 0 40 FDAB CC(C)=C[C@H]1[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C 78553879 MGJIHMJBUMZGAB-KBPBESRZSA-N 360.545 1.720 0 40 FDAB CCn1c(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc21 7091917 PPVXSMOJUFWQTA-RYUDHWBXSA-N 367.496 1.840 0 40 FDAB O=C1[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@H]2[C@]5(Br)C32OCCO2)[C@]14Br 101179036 GABJUTVSUROVBC-JAAJBYRGSA-N 362.017 1.331 0 40 FDAB O=C(CNC(=O)c1cccs1)NCC(=O)OCC(=O)c1ccccc1 1861885 IDMAAMPWOWFGSL-UHFFFAOYSA-N 360.391 1.020 0 40 FDAB CC1=NNc2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1 8725052 ARSLZLIYMUEXPI-UHFFFAOYSA-N 374.404 1.900 0 40 FDAB Cc1nn(C[C@@H](O)COc2ccc3c(c2)OCO3)c(=O)c2ccccc12 58171251 AXAJJSOCYIXWOB-CYBMUJFWSA-N 354.362 1.874 0 40 FDAB O=C(Nc1ccc2ccccc2n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 58225060 UPHOSXHGSWYMSM-INIZCTEOSA-N 368.437 1.354 0 40 FDAB CCNC(=O)CN1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 58214397 IXLWBRKQKUFRJJ-UHFFFAOYSA-N 355.841 1.692 0 40 FDAB COc1ccc(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1F 58505613 ODFVEHQEPJYABZ-UHFFFAOYSA-N 356.405 1.833 0 40 FDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(F)cc1)C2=O 2619774 UZJVJQJZOKBZNE-DJJJIMSYSA-N 361.417 1.985 0 40 FDAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)NC1CCCCCC1 2941611 WCYUYMXEDABKAO-UHFFFAOYSA-N 356.426 1.352 0 40 FDAB CCOC(=O)c1[nH]ncc1CNc1cc(C(=O)OC)cc(C(=O)OC)c1 95467778 FFJKBHUSTCEQHS-UHFFFAOYSA-N 361.354 1.772 0 40 FDAB COCCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2cc(Cl)ccc21 95479887 RSNFZGZLWJMTAG-CYBMUJFWSA-N 370.858 1.858 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@H](c2nncn2C)C1 75111072 SXBLPZYESGVZPE-ZDUSSCGKSA-N 367.417 1.511 0 40 FDAB O=CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 10112073 LSPJILYTOMCSFO-UHFFFAOYSA-N 373.434 1.402 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 3555722 HFFQKRMHIPZTMY-MRXNPFEDSA-N 362.407 1.715 0 40 FDAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3ccccc3C)CC2)C1=O 13068651 HEUHAIACWOWETM-LJQANCHMSA-N 358.442 1.364 0 40 FDAB O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)N1 67896896 ASCMRVFZHHMPLT-CZUORRHYSA-N 361.785 1.536 0 40 FDAB biogenic,in-vitro CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 24436805 UNYLNAQFDVLLOG-UHFFFAOYSA-N 372.512 1.221 0 40 FDAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1 6582336 PZYIQHZBQJRJHN-UHFFFAOYSA-N 373.394 1.480 0 40 FDAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCC(O)CC1 20950945 BUYWFNCMJFFYTB-UHFFFAOYSA-N 364.471 1.993 0 40 FDAB Cc1ccccc1Cn1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1N 4852650 JBDFNXBBJOBVKM-UHFFFAOYSA-N 365.393 1.876 0 40 FDAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 8075333 XQFVGMCPOAEIRC-UHFFFAOYSA-N 357.341 1.967 0 40 FDAB COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(OC)c(OC)c1 72285144 SWCICRFGEIRWHY-OAHLLOKOSA-N 365.426 1.817 0 40 FDAB CCOC(=O)c1c(C)oc(NC(=O)CSc2ccccn2)c1C(N)=O 8780270 LHWDPRSXSRZBKJ-UHFFFAOYSA-N 363.395 1.989 0 40 FDAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(N)=O)cc1 8937227 IOIBOCOIJIQTCF-ZDUSSCGKSA-N 362.407 1.246 0 40 FDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 8936923 FHLJJOUBYOYJAC-NSHDSACASA-N 364.345 1.561 0 40 FDAB CCOc1ccc2nc(SCC(=O)N3CCCC[C@H]3C(N)=O)[nH]c2c1 9156731 DECCMBSPFNRQMO-AWEZNQCLSA-N 362.455 1.920 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccccc1F 72402103 FNIBIHXNNMXBEN-UHFFFAOYSA-N 358.377 1.086 0 40 FDAB Cc1cc(CN2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)on1 75605171 IJCORIGUCLRBRN-UHFFFAOYSA-N 353.430 1.898 0 40 FDAB Cc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1O 408593015 NZTVBOBHSPYIPO-RUDMXATFSA-N 355.144 1.440 0 40 FDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NCc1ccco1)O2 64988378 NZGUSLWJEUYNAU-MRXNPFEDSA-N 364.423 1.822 0 40 FDAB CCCCC(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306136271 POKKIEAEVLGYMV-HNNXBMFYSA-N 366.483 1.804 0 40 FDAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 408600888 DCKGKGKKBQWZTK-ZDUSSCGKSA-N 358.460 1.295 0 40 FDAB Cc1ccc(C(=O)c2c(CN3CCCCC3)n(C)c(=O)n(C)c2=O)cc1 35326757 ZRDIZKMTDSVJSC-UHFFFAOYSA-N 355.438 1.609 0 40 FDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 36393623 OVNDPUIRWWSIHA-NSHDSACASA-N 371.402 1.903 0 40 FDAB Cc1nnsc1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 36621439 HHOJBQDFWZGZQV-UHFFFAOYSA-N 372.454 1.781 0 40 FDAB O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCc2ccccc21 32768080 WZRPRUCGQCIEGV-UHFFFAOYSA-N 361.423 1.239 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cccn2C)c1 39566894 BDTPXNAHQWBBAA-UHFFFAOYSA-N 351.428 1.100 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCO1)c1cn(C)c2ccccc12 75149261 LNMSYQOHPFWUHF-KDOFPFPSSA-N 372.469 1.192 0 40 FDAB CCN1C[C@H](C)N(C(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C[C@H]1C 1578214882 FXKCJFQFLFAVQU-CABCVRRESA-N 356.474 1.967 0 40 FDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccnc3)c(Cl)cc21 223342023 SKDBQMDJBNFTSD-UHFFFAOYSA-N 353.787 1.658 0 40 FDAB O=C(NCCCn1ncccc1=O)c1ccnc(O[C@@H]2CCSC2)c1 225723377 XIYBXICCXDCXOB-CQSZACIVSA-N 360.439 1.343 0 40 FDAB CS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccccc2)Oc2ccccc21 44909335 UKSJUSMRNWUXDA-GOSISDBHSA-N 374.462 1.963 0 40 FDAB Cc1nnc(CCNC(=O)c2n[nH]c(C(C)C)c2Br)n1C 330628291 YTHSYXZHVMKXLK-UHFFFAOYSA-N 355.240 1.705 0 40 FDAB COc1ccc(N2CCC[C@H](C(=O)Nc3n[nH]c(CC(C)C)n3)C2)nn1 96116591 SZQBHSOZNFXPAE-LBPRGKRZSA-N 359.434 1.657 0 40 FDAB COC[C@H]1CC2(CCN(Cc3ccccc3)CC2)CN1S(C)(=O)=O 96220775 ZKRLOERZDCDNPG-QGZVFWFLSA-N 352.500 1.949 0 40 FDAB CS(=O)(=O)N1CC[C@H]2[C@H](CC(=O)NCc3cccs3)OC[C@H]2C1 96208404 GXXGYJBRLZXKML-BNOWGMLFSA-N 358.485 1.051 0 40 FDAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](N(C)C)CN(C)C(=O)C2)cc1 96113451 ZGGBFOZOPTZETO-IAGOWNOFSA-N 361.486 1.890 0 40 FDAB biogenic,in-vitro Cc1noc(CCC(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)n1 331799123 RXDBMWZQAJYBRP-UHFFFAOYSA-N 351.384 1.140 0 40 FDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2cnn(C)c2)C(=O)N3)c(C)o1 96069626 HZFIHMKAPZDMRA-MRXNPFEDSA-N 356.426 1.908 0 40 FDAB CCCNC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C)n2c1 96156606 CLKNHDJRBFGIHL-MRXNPFEDSA-N 356.474 1.568 0 40 FDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(c1ncc(F)cn1)C2 96230446 LRNYQBWJUQOUEA-LJQANCHMSA-N 369.400 1.460 0 40 FDAB Cc1cc(C)n(CCCC(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)n1 257260368 LCOAXXJVTLTDEG-IBGZPJMESA-N 357.458 1.433 0 40 FDAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257224977 FEFQLXQAKYBJOV-AWEZNQCLSA-N 350.382 1.783 0 40 FDAB O=C(CN1CCN(C(=O)c2ccccn2)CC1)N1CCc2ccccc2C1 27147895 IRTYUBBLJSQFKF-UHFFFAOYSA-N 364.449 1.424 0 40 FDAB CN1C(=O)C(c2[nH]c(O)nc2-c2ccc(F)c(F)c2)C(=O)N(C)C1=O 604419383 ZVGFSERINHJGOK-UHFFFAOYSA-N 350.281 1.195 0 40 FDAB NC(=O)N[C@H](CC(=O)N1CCN(c2ccccc2)C(=O)C1)c1ccccc1 680926455 ZHDOOYJFLXNIEP-QGZVFWFLSA-N 366.421 1.662 0 40 FDAB CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1Cc1ccc2c(c1)ncn2C 1775956986 LDRREWGQMPYZKV-BBRMVZONSA-N 356.430 1.852 0 40 FDAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 299161060 ZKGACBNGONGGSM-SNVBAGLBSA-N 373.804 1.352 0 40 FDAB CCOC[C@H]1CN(C(=O)c2ncn(C)n2)Cc2cnn(CC3CCCC3)c21 585110840 NCDAEEVEOYBKJJ-MRXNPFEDSA-N 372.473 1.978 0 40 FDAB COC[C@@]1(CC(=O)NCCc2ccccc2F)CN(C(C)=O)CCO1 585280604 LKLAHHKHYBCUQP-GOSISDBHSA-N 352.406 1.138 0 40 FDAB CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)Cc1cccc(O)c1)CC2 585100012 CICKWXJYUBWFFM-NRFANRHFSA-N 373.497 1.870 0 40 FDAB CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 5053041 AUGQEEXBDZWUJY-LYPURALISA-N 366.410 1.125 0 40 FDAB in-man Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)c4cccc(F)c4)C3)c2n1 12085002 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O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CC1 21128349 ICIYHGAOYVUXHS-HNNXBMFYSA-N 366.439 1.052 0 40 FDAB CC(C)C(=O)N1CCC(NC(=O)NCc2ccc(-n3cccn3)nc2)CC1 32803314 YBXJFTWHOMOAAH-UHFFFAOYSA-N 370.457 1.714 0 40 FDAB CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc2ccccc12 33039562 RJAQXQQMOSZQJR-ZDUSSCGKSA-N 356.426 1.944 0 40 FDAB CS(=O)(=O)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 53002063 NVYDEDNDRMULTF-UHFFFAOYSA-N 358.419 1.527 0 40 FDAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1 719648 IBNVYBRXXYXUSH-CQSZACIVSA-N 371.393 1.097 0 40 FDAB O=C(C[C@@H]1C=CCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436957 DSLYQTLFTXICKJ-CYBMUJFWSA-N 370.496 1.742 0 40 FDAB CCOc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1OCC(=O)O 6964961 VDEIWFCVDMMLSC-UVTDQMKNSA-N 360.366 1.314 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H](C(F)(F)F)C1 10290138 ZTMVBMZUYQDIKG-NSHDSACASA-N 369.343 1.881 0 40 FDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)s1 58214793 CZVCVNHWNNZAQX-CYBMUJFWSA-N 357.501 1.243 0 40 FDAB O=C1CC2(CCN(C(=O)c3cnccn3)CC2)CN1Cc1ccncc1 108525200 DUGMCYQBRVGVDG-UHFFFAOYSA-N 351.410 1.527 0 40 FDAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3cc(F)ccc23)C[C@@H](C)O1 58218518 WJGZFVSEHWUMRX-TXEJJXNPSA-N 368.434 1.620 0 40 FDAB COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)ccc1OC 45882695 ZYUQRVYMKANUGQ-AWEZNQCLSA-N 362.426 1.603 0 40 FDAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 11665628 PYMUAFIBCZTBIE-WMLDXEAASA-N 357.410 1.715 0 40 FDAB O=C(COC(=O)CN1C(=O)COc2ccccc21)NCc1ccc(F)cc1 24720630 JHCKXSCZLPJYNF-UHFFFAOYSA-N 372.352 1.411 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 11916904 XJJLVUFBJVETNR-UHFFFAOYSA-N 373.434 1.974 0 40 FDAB CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC1 100779272 ZVDLSJPOZVWMBQ-ARKGTOAJSA-N 369.506 1.508 0 40 FDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC(=O)Nc3ccccc31)C2=O 3595663 IYQIHLZXDOWXPZ-HXPMCKFVSA-N 370.409 1.472 0 40 FDAB Cc1ccc(NC(=O)COC(=O)c2nccnc2N)c(Br)c1 9256020 VIVVGPIMBVGPRK-UHFFFAOYSA-N 365.187 1.925 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 4108485 MVVRECSWYQVSNV-CFAJVAMVSA-N 354.786 1.726 0 40 FDAB C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5226264 UUPDJFHVXGUSAA-YOEHRIQHSA-N 370.405 1.941 0 40 FDAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CN(C)CC(=O)NC(C)C)C1=O 14189746 SLGMWJMRAPXOEL-LJQANCHMSA-N 360.458 1.566 0 40 FDAB Cc1cnc(C(=O)NCCCCCCNC(=O)c2cnc(C)cn2)cn1 6509161 AKJVAHRDKJGVRE-UHFFFAOYSA-N 356.430 1.604 0 40 FDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Br)cc3F)[C@@H]2C1 6673590 IRKGYSQUAMSPPE-PSASIEDQSA-N 365.249 1.448 0 40 FDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 4844386 AXCRNWLUWGWNQH-LKFCYVNXSA-N 356.165 1.374 0 40 FDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)C1CC1 7289675 IRQCYUOSBNHTMC-XTZNXHDOSA-N 359.382 1.097 0 40 FDAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2C)n1 8487647 SKHWMVOMAULUSP-UHFFFAOYSA-N 358.431 1.935 0 40 FDAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)CCO 18143267 CQLQKJKNQZSLPC-UHFFFAOYSA-N 373.434 1.511 0 40 FDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 8945690 QRTFBELXIJOAJX-HNAYVOBHSA-N 359.426 1.529 0 40 FDAB NC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 9114257 LRKWAFJPQZVWJR-UHFFFAOYSA-N 356.334 1.352 0 40 FDAB O=C(NC[C@@H]1CCOC1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 95460710 YSFPPUJXFJTQHU-JTQLQIEISA-N 357.407 1.424 0 40 FDAB Cc1nonc1C(=O)NCC(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412824 MHUKQJPRJAZPOK-JSSFPYSZSA-N 354.410 1.806 0 40 FDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)n1 306128249 GVFWIBCODBIJRL-INIZCTEOSA-N 366.425 1.782 0 40 FDAB Cc1ccc(-c2cc(CNC(=O)CCn3ccc(=O)[nH]c3=O)no2)cc1 38752603 QSHZEFFCDQJQBC-UHFFFAOYSA-N 354.366 1.207 0 40 FDAB O=C(C[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)NCc1ccccn1 306143012 XQRACDIIUNQPRX-LJQANCHMSA-N 362.437 1.937 0 40 FDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccc(Cl)cc1 71980091 GXQGXLJRMMMTST-AWEZNQCLSA-N 352.818 1.616 0 40 FDAB Cc1ncc(CNC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)c(N)n1 563196983 YYIYKNWFVUDSNN-CQSZACIVSA-N 363.425 1.505 0 40 FDAB O=C(NCCc1cccs1)[C@@H]1COCC(=O)N1Cc1cccs1 85472613 RHEWFSGDJXHLRG-AWEZNQCLSA-N 350.465 1.896 0 40 FDAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N(C)C 223241689 DTWITZAKTXYFMS-UHFFFAOYSA-N 362.451 1.941 0 40 FDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(c1cccnc1)C2 96077318 IMVNJRQQVCEPOI-GOSISDBHSA-N 356.451 1.987 0 40 FDAB O=C(c1ccnnc1)N1CCC2(CC1)COCCN(c1nccs1)C2 96078268 LWUXXRGQGAKQPQ-UHFFFAOYSA-N 359.455 1.692 0 40 FDAB CCOC(=O)[C@]12CCCN(C(=O)c3cccnc3)C[C@H]1CN(C(C)=O)C2 96056013 WJWZRVHEDZKMDL-LPHOPBHVSA-N 359.426 1.345 0 40 FDAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)CC[C@H]2C)cc1-n1cnnn1 96191693 BRZCKPFRGILVLJ-YRGRVCCFSA-N 365.459 1.774 0 40 FDAB O=C(c1ccncn1)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106106 UMPYEMIMUHZCPF-INIZCTEOSA-N 354.410 1.962 0 40 FDAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccccn1)CC2 96050130 LYZDDSAGSRYDOG-UHFFFAOYSA-N 365.481 1.785 0 40 FDAB Cc1nc(C(=O)N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)cs1 248045841 QIXBKHQUTCUGDV-CYBMUJFWSA-N 359.455 1.975 0 40 FDAB Cc1ncsc1CN1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 248045618 QEWMYFKXOPFYHL-HNNXBMFYSA-N 361.471 1.454 0 40 FDAB CCc1noc(CCC(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)n1 257317103 VIKWSXBQXHVWAO-GOSISDBHSA-N 359.430 1.059 0 40 FDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@](C)(C(=O)N(C)C)C3)cn2)n1 257278590 OCVRAJIDSKOCMF-LJQANCHMSA-N 371.441 1.203 0 40 FDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(Cc1cncn1C)CC[C@H]2O 257332825 XYVJAWWIUPOBEA-BQJUDKOJSA-N 368.481 1.617 0 40 FDAB Cc1noc(C)c1CC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257317615 VKMWJPKKIANZOU-UHFFFAOYSA-N 355.398 1.988 0 40 FDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc(F)cc1 257327187 XAIZZWBHLQGBSB-GFCCVEGCSA-N 353.375 1.166 0 40 FDAB CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2Cn2cncn2)cc1 602298104 IEMDRXKVZVHFJI-AWEZNQCLSA-N 363.443 1.056 0 40 FDAB CC(C)(C)CN(CC(=O)O)C(=O)C1CCN(C(=O)N2CCCC2)CC1 659782812 HUIHNVYTRBSABX-UHFFFAOYSA-N 353.463 1.874 0 40 FDAB CC(C)(C(=O)O)C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 668324514 VNCZLNMQFALPHF-UHFFFAOYSA-N 367.345 1.836 0 40 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O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1 15674471 YZWWDUIGVYZCIH-UHFFFAOYSA-N 352.441 1.965 0 40 FDAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16576572 WWCIWRDAXHDRFK-CYBMUJFWSA-N 370.471 1.437 0 40 FDAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCCO3)ncc2C1 19018479 MDRHMJYRHMDLAA-IAGOWNOFSA-N 358.442 1.614 0 40 FDAB O=C(CN1CCc2nnc([C@H]3CCCN3)n2CC1)Nc1ccccc1F 19706295 OLADLXFPXXHEEG-OAHLLOKOSA-N 358.421 1.339 0 40 FDAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 165684014 KWZJYHOLNHSDHI-DSIZOQBWSA-N 370.405 1.508 0 40 FDAB COC(=O)C1CCN(C(=O)Cc2csc(NC(=O)C3CC3)n2)CC1 9659474 LVQVXXDCXBPAJE-UHFFFAOYSA-N 351.428 1.446 0 40 FDAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(S(=O)(=O)c1cccnc1)C2 19589046 YTWJOQYZKVUKPJ-KRWDZBQOSA-N 373.482 1.775 0 40 FDAB O=C([C@@H]1CN(c2ncnc3ccsc23)CCO1)N1CCSCC1 1888855847 RBFHVUMMOPANPL-LBPRGKRZSA-N 350.469 1.472 0 40 FDAB Cn1nc(N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)ccc1=O 2086988612 ZEVJXWAQFYUEHF-UHFFFAOYSA-N 363.393 1.995 0 40 FDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 1565542961 NEYUUVVBVDBAAS-KYHREEPGSA-N 372.465 1.888 0 40 FDAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4314146 GKBLWSLWCBFTQO-LLVKDONJSA-N 369.381 1.249 0 40 FDAB O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(F)cc1 11744794 IJVSCZJZAGONCS-UHFFFAOYSA-N 374.397 1.423 0 40 FDAB O=C(CNC(=O)c1ccccc1)NCc1nc(C2CCSCC2)no1 575615546 DSIOAKSJJRWZEQ-UHFFFAOYSA-N 360.439 1.726 0 40 FDAB C[C@H]1CCCCN1CC(=O)NCCn1nc([C@@H]2CCNC2)c2cccnc21 19496354 UJHWMOPKEZRGQK-JKSUJKDBSA-N 370.501 1.499 0 40 FDAB COc1ccccc1CNC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 90584535 FOFYTUXLRKJUQX-IBGZPJMESA-N 374.462 1.787 0 40 FDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C(N)=O)cc1 40040391 JINQPMIZONTAKT-SNPRPXQTSA-N 366.439 1.280 0 40 FDAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 30595673 RIOKRUBEYZWTDI-QGZVFWFLSA-N 366.483 1.822 0 40 FDAB COCCN1CNC2=N[C@H](c3ccco3)n3c(nc4ccccc43)N2C1 20101777 BIIVMPZRWMHYPC-INIZCTEOSA-N 352.398 1.819 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(-n3cnnn3)cc2)c1C 21836320 GMJHVNSWNUWGOQ-UHFFFAOYSA-N 355.354 1.656 0 40 FDAB COc1ccc(CNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cn1 54729401 JJLDYIIAKZPSQZ-UHFFFAOYSA-N 356.382 1.937 0 40 FDAB CCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 880847 KJFNKDAZZDURDF-UHFFFAOYSA-N 372.450 1.819 0 40 FDAB CCN(c1ccc(C(=O)NCCC2CCN(C)CC2)cc1)S(C)(=O)=O 78578800 ZQJURJFCNAVAES-UHFFFAOYSA-N 367.515 1.934 0 40 FDAB CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 4999830 FKLDIARPYQXRHU-ZDUSSCGKSA-N 355.394 1.719 0 40 FDAB CCCn1nnnc1NC(=S)NC(=O)c1c(OC)cccc1OC 6948115 GNIWDASILAUFJV-UHFFFAOYSA-N 350.404 1.227 0 40 FDAB O=C(c1cc[nH]n1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001421 ZILAOHNQBJBXOB-SFHVURJKSA-N 367.453 1.359 0 40 FDAB COC(=O)c1ccc(OC[C@@H](O)CNC2CCC(O)CC2)c(OC)c1 8428515 SPBRDDWUZVCOFM-NRXISQOPSA-N 353.415 1.115 0 40 FDAB O=S1(=O)CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 57846296 LJBAONVJWYBLCO-UHFFFAOYSA-N 361.345 1.986 0 40 FDAB CCn1cnnc1C1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 95417380 GLOCAAKZUNIOGO-UHFFFAOYSA-N 356.430 1.826 0 40 FDAB CCN(CC)[C@@H](CNC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccco1 58290948 ZLROJFGNVIKWDR-KRWDZBQOSA-N 368.441 1.997 0 40 FDAB Cn1c(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 9609168 AXKRVQQWTIFELG-UHFFFAOYSA-N 366.377 1.348 0 40 FDAB CC(C)(C)OC(=O)NN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 2152091 VUWLDCQLFRPKFB-OAHLLOKOSA-N 370.409 1.703 0 40 FDAB biogenic Cc1nn(CCCNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Cl 101615551 KPSPKXULKTWTAU-RVMXOQNASA-N 355.822 1.538 0 40 FDAB Cc1c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1C 36614514 RBDFVHGFXJVQJV-UHFFFAOYSA-N 362.455 1.676 0 40 FDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 102331900 IPAVQMVJBOUHJL-SDADXPQNSA-N 357.341 1.663 0 40 FDAB Cc1cc(C)cc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1 101664479 UGBGUAQVWHZEJX-YDMUCJKGSA-N 358.394 1.264 0 40 FDAB O=C(CN1CCN(C(=O)C2(O)CCCC2)CC1)Nc1ccccc1Cl 12976394 FNBOKVHBWBFVMD-UHFFFAOYSA-N 365.861 1.728 0 40 FDAB CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2c(c1)OCO2 12979657 QLIURAAZLWONAN-UHFFFAOYSA-N 354.366 1.655 0 40 FDAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2OC)c1 13098935 TWEAOCHSABBPPA-UHFFFAOYSA-N 364.423 1.412 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 13003460 PARXNXFOVFLQMT-UHFFFAOYSA-N 362.455 1.416 0 40 FDAB CN(Cc1csc(Br)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 48963572 WNJNNEJNKCRDCK-VIFPVBQESA-N 367.290 1.839 0 40 FDAB CC(C)(C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943161 YSRMYDXHLQZEGD-UHFFFAOYSA-N 356.444 1.876 0 40 FDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nncs1)C2=O 5101213 GSUBHLPQSQJCCE-UHFFFAOYSA-N 355.445 1.162 0 40 FDAB Cc1oc(CO)cc1C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 9316430 TVHRLPHTZIVDRD-UHFFFAOYSA-N 364.398 1.953 0 40 FDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1F 13961535 FTVRAXIJDHORPC-UHFFFAOYSA-N 350.325 1.423 0 40 FDAB COc1ccc(CC(=O)Nc2cc(=O)[nH]c3nc(-c4ccco4)nn23)cc1 9332462 UNRFZYZCCHZQMU-UHFFFAOYSA-N 365.349 1.867 0 40 FDAB Cc1cc(O)c2c(C)c(CC(=O)NCCCN3CCCC3=O)c(=O)oc2c1 6660850 AXKVZNKUAGEGGX-UHFFFAOYSA-N 372.421 1.787 0 40 FDAB Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cnccn1 4776356 DTQQXBROAYRNTL-UHFFFAOYSA-N 370.394 1.701 0 40 FDAB O=C1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCN1 7216349 WLPURPHSCJGPSO-UHFFFAOYSA-N 353.625 1.223 0 40 FDAB C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2O)CCN1 22056246 DXDATEPTOGKWES-SECBINFHSA-N 361.373 1.677 0 40 FDAB in-vitro CC1=C(C(=O)NCCOc2nonc2C)[C@H](c2ccsc2)NC(=O)N1 67843497 HJBUGLHADIIKFM-LBPRGKRZSA-N 363.399 1.263 0 40 FDAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 22266909 YIJROOFUBIRRIC-VIFPVBQESA-N 350.797 1.619 0 40 FDAB C[C@@H](C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1)n1cncn1 81118973 QBERPEMZMDALEF-ZDUSSCGKSA-N 361.833 1.406 0 40 FDAB CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)CC(=O)NC(C)(C)C 16560367 BGXDFJPFLCMVQU-UHFFFAOYSA-N 364.446 1.580 0 40 FDAB CC(C)(Cc1ccccc1)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 97045889 YYRPAWNNQXYUBE-CQSZACIVSA-N 352.456 1.610 0 40 FDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 19432052 WPJQQPWQPWPRIQ-LLVKDONJSA-N 361.398 1.876 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 28284030 RWESBPSAZFIAQO-MNOVXSKESA-N 373.456 1.576 0 40 FDAB COCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 409389471 ZXSXSNWRQACEPV-UHFFFAOYSA-N 372.487 1.461 0 40 FDAB CN1CC[C@@H](N2CCC(NC(=O)c3cncc(C(F)(F)F)c3)CC2)C1=O 515377213 LQMKWUSIJRKNRX-CQSZACIVSA-N 370.375 1.525 0 40 FDAB COc1ccc(CC(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1 72346937 NVIOEPNBCKVAIG-UHFFFAOYSA-N 368.437 1.506 0 40 FDAB O=C(c1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 72380528 IMEOFTCLCSNRHN-INIZCTEOSA-N 368.437 1.902 0 40 FDAB CCOc1ccc(C(=O)NC(=S)Nc2nnn(CC)n2)cc1Cl 32126199 KPZKQZFQAXELBW-UHFFFAOYSA-N 354.823 1.872 0 40 FDAB COC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1C 32899225 RVAHHKKNRVRCNT-RYUDHWBXSA-N 351.447 1.647 0 40 FDAB O=C1NC2(CCN(Cc3ccccc3)CC2)c2nnnn2-c2ccccc21 35606361 WLPLXDIINPXINB-UHFFFAOYSA-N 360.421 1.897 0 40 FDAB NC(=O)c1ccc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 32817848 YXNLQWLYQXTFHJ-UHFFFAOYSA-N 367.405 1.829 0 40 FDAB CS(=O)(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 43979959 YYIZCQOWKHLPQW-UHFFFAOYSA-N 356.513 1.957 0 40 FDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 225522244 CMGCXDIBAIJFLP-HZPDHXFCSA-N 352.438 1.740 0 40 FDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cccs1)C2 96050389 YMSZUZAKBMNAMN-KRWDZBQOSA-N 359.455 1.045 0 40 FDAB O=c1c2cc(F)ccc2ncn1CCNS(=O)(=O)c1cccs1 95473271 ZEOSFPCUJVRBGP-UHFFFAOYSA-N 353.400 1.576 0 40 FDAB Cc1csc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)n1 96208783 HWVYQQUJJOZGLI-RDTXWAMCSA-N 358.467 1.611 0 40 FDAB Cn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1CCOC2 96104010 GALSFQMKBWNPBD-GFCCVEGCSA-N 372.400 1.301 0 40 FDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)CCc2ccnn2C)n1 257343081 ZRKMCZWWADSIGK-HNNXBMFYSA-N 358.446 1.117 0 40 FDAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCN(c2ncccn2)CC1 252488804 IZHIJXUSEZDEDY-OAHLLOKOSA-N 355.398 1.002 0 40 FDAB COc1ccccc1CC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257225155 FFCHKMFQELRWAE-AWEZNQCLSA-N 357.410 1.451 0 40 FDAB CN1CCCN([C@H]2CCN(C(=O)Cc3cccs3)CC[C@@H]2O)CC1 257278980 OEMOOVHMFWFANZ-IRXDYDNUSA-N 351.516 1.280 0 40 FDAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@@H](Cc2ccc3nccn3c2)C1 257313950 UUUMVNIIGDINDD-LSDHHAIUSA-N 359.426 1.587 0 40 FDAB CCS(=O)(=O)N1c2ccc(C(=O)NC[C@H]3CCCO3)cc2C[C@H]1C 260179895 SUKNZUKMCRBZBO-IUODEOHRSA-N 352.456 1.696 0 40 FDAB CC[C@H]1CCc2nc(NC(=O)c3ccc(S(N)(=O)=O)nc3)sc2C1 270742071 SBFYGFQNDBJHBE-VIFPVBQESA-N 366.468 1.953 0 40 FDAB Cc1ccc2c(c1)CN(C(=O)[C@@H](C)n1cnc3c(N)ncnc31)CCO2 614731141 YPXPVIGRBOMFOZ-GFCCVEGCSA-N 352.398 1.699 0 40 FDAB Cn1cc(O[C@@H]2CN(CCc3nc(-c4ccccc4)no3)C[C@H]2O)cn1 625626566 ZQPGMOLHPLGHFH-HZPDHXFCSA-N 355.398 1.137 0 40 FDAB O=C(O)[C@H]1CC[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)N1C1CC1 630658467 YXSYYZVWJZZWPA-IAGOWNOFSA-N 354.410 1.569 0 40 FDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)Cc2ccccc21 599504981 JYNFONYVPOUJCU-CZUORRHYSA-N 352.456 1.878 0 40 FDAB COC1CCN(S(=O)(=O)NCC[C@@H]2CCc3ccccc3N2)CC1 658383243 DHPBJFNIGDQTAL-HNNXBMFYSA-N 353.488 1.749 0 40 FDAB C[C@H](NC(=O)NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1cscn1 661637277 LXWGQTMJMBPRGA-CQDKDKBSSA-N 364.475 1.309 0 40 FDAB CNc1cc(N2CCC[C@H]2CNc2cc(OC)nc(COC)n2)ncn1 680331833 ASRGPDLZIPWYEH-LBPRGKRZSA-N 359.434 1.544 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccoc3)nc2)CC1 390829903 HJTDDSIJIDAQHR-UHFFFAOYSA-N 363.439 1.629 0 40 FDAB CC(=O)N1CC[C@H](CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)C1 585503241 AMBKGXQLALQVLI-QGZVFWFLSA-N 358.486 1.701 0 40 FDAB CN(C)C(=O)COCC[C@H]1CN(c2ncc(F)cn2)Cc2cccn2C1 585095215 IKMQQYNOHOSWQE-CQSZACIVSA-N 361.421 1.549 0 40 FDAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@](C)(O)CN1CCOCC1 76092339 GWONVEUDTBLERT-IBGZPJMESA-N 359.426 1.463 0 40 FDAB CCCNC(=O)C[C@H](C(N)=O)N(CCC)CC(=O)N1CCc2ccccc21 96007154 MBJTVKPENOIXCF-QGZVFWFLSA-N 374.485 1.058 0 40 FDAB CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1 12529695 ZFAMNRCWHAAOCJ-ZFWWWQNUSA-N 350.382 1.702 0 40 FDAB biogenic,in-vitro C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 13000402 SPPQQYRLECRUHJ-LBPRGKRZSA-N 354.453 1.716 0 40 FDAB Cc1[nH]c2nc(C(=O)NC(C)(C)CN3CCCC[C@@H]3C)nn2c(=O)c1C 19576953 JYBIWPATUPVOEY-NSHDSACASA-N 360.462 1.417 0 40 FDAB CN1C(=O)NC2(CCN(C(=O)c3ccc(Br)o3)CC2)C1=O 8769337 FDKCNBLRAYUDHI-UHFFFAOYSA-N 356.176 1.199 0 40 FDAB Cc1ccccc1Cn1nc([C@H]2CCCN(S(C)(=O)=O)C2)n(C)c1=O 23141199 GZKCKKIPGYQKRM-HNNXBMFYSA-N 364.471 1.078 0 40 FDAB Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 585147431 YFNFSBWZZGBNAX-AWEZNQCLSA-N 366.443 1.930 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 4575079 GQECZASJHCYICF-HOCLYGCPSA-N 352.456 1.443 0 40 FDAB Nn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccco1 4537552 KAAKWRVXYDKXPN-UHFFFAOYSA-N 361.402 1.842 0 40 FDAB Cc1ccnc(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]3C2)n1 1888866655 YZIVOYSTNFKYHP-IAGOWNOFSA-N 358.467 1.683 0 40 FDAB CS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)CCCc3sccc32)CC1 1889148925 KGSKXVQXWGJBOP-MRXNPFEDSA-N 372.512 1.060 0 40 FDAB Cn1cnc2c(N3CCN(c4nccc(-c5ccccn5)n4)CC3)ncnc21 2087045368 DJNYAURVFOYBQM-UHFFFAOYSA-N 373.424 1.542 0 40 FDAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C 4250907 ISJUGCHZJIZCSJ-UHFFFAOYSA-N 357.801 1.697 0 40 FDAB NC(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4374226 QBZRIRSWODSTLI-CQSZACIVSA-N 356.357 1.852 0 40 FDAB COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)c1OC 7418829 UIHMVAWONXKCDB-UHFFFAOYSA-N 369.381 1.842 0 40 FDAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cccn(C)c1=O)C2 2055754561 AXJDFAXAPOSOFN-HNNXBMFYSA-N 356.426 1.285 0 40 FDAB O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(F)cc1 18286713 JNCPDDJRBFCKIG-KRWDZBQOSA-N 369.396 1.985 0 40 FDAB O=C([C@H]1CCOC1)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775976056 UXLXWRHKDPQZIO-HNNXBMFYSA-N 356.401 1.968 0 40 FDAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)c2cccs2)CC1 26920458 XAXYGINEOJQZER-GFCCVEGCSA-N 358.510 1.850 0 40 FDAB O=c1ccc(-n2cccn2)nn1CC1CCN([C@H]2CCCC[C@H]2O)CC1 585501183 BNROBEKCOKCXJQ-DLBZAZTESA-N 357.458 1.445 0 40 FDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncc(Br)cc2F)C1 682239338 MWIHRDMPHRVMAU-SECBINFHSA-N 352.229 1.501 0 40 FDAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40051578 XXKLOZDYZDJAEF-UHFFFAOYSA-N 371.528 1.556 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)CCc3cccnc3)CC2)nc1 30434778 IXYGPNFUOZKRFT-UHFFFAOYSA-N 368.437 1.935 0 40 FDAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)nc1 30435340 DLQVEFWTEPZWLI-UHFFFAOYSA-N 372.425 1.754 0 40 FDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 51342563 DFQZFBVUPUJETN-UHOSZYNNSA-N 370.497 1.730 0 40 FDAB O=C(O)CCc1nnc(S[C@H]2CCc3ccccc3NC2=O)[nH]c1=O 20724547 SJHCJESRUUJJNZ-LBPRGKRZSA-N 360.395 1.228 0 40 FDAB CCOc1ccccc1NC(=O)CN(Cc1ccccn1)S(C)(=O)=O 32935609 KANPNAYSNMWMNE-UHFFFAOYSA-N 363.439 1.881 0 40 FDAB C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1cc(F)ccc1F 23199453 FKSBNYXZAFZKSC-SNVBAGLBSA-N 350.325 1.761 0 40 FDAB COc1ccc(NC(=O)CN(C)C(=O)c2ccccc2-n2cnnn2)cc1 12568894 XOHDRTYNAHQVTJ-UHFFFAOYSA-N 366.381 1.382 0 40 FDAB Cn1cnc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)c1Cl 79054858 AUIBBLWNMOMARR-UHFFFAOYSA-N 371.802 1.922 0 40 FDAB CC(=O)NCc1ccc(C(=O)COC(=O)Cc2c(C)noc2C)s1 24931277 SXIPALLGZKJFDW-UHFFFAOYSA-N 350.396 1.958 0 40 FDAB OC[C@@H]1O[C@H](Oc2ccc(Cl)cc2C2CCCC2)[C@@H](O)[C@H](O)[C@@H]1O 2522532 OIPLGSGCPWWFRT-BIVLZKPYSA-N 358.818 1.176 0 40 FDAB NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 26233198 FTBWVNLWRWXDIB-UHFFFAOYSA-N 353.331 1.815 0 40 FDAB CS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3)CC2)c1 57403165 BPALXLXAWXYSMN-UHFFFAOYSA-N 373.478 1.851 0 40 FDAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1 8157515 FUTPJJMTDVMFMJ-UHFFFAOYSA-N 350.396 1.621 0 40 FDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2c(=O)[nH]1 8393480 DJNFIOSSEPRDRS-LLVKDONJSA-N 362.349 1.817 0 40 FDAB O=C(O)COc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1 8732560 ZRVLTQKENWGDHX-OAHLLOKOSA-N 368.389 1.819 0 40 FDAB COc1ccc(C(=O)NC2CCC(O)CC2)cc1S(=O)(=O)NC1CC1 10027938 VUJSWVCDVROMEA-UHFFFAOYSA-N 368.455 1.169 0 40 FDAB COc1ccc([C@H]2[C@@H](n3cnnn3)C(=O)N2CCCOCC2CC2)cc1 58154843 MQIRDAARIXYYBZ-DLBZAZTESA-N 357.414 1.623 0 40 FDAB CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)COCC(F)(F)F)cc1 58186215 HLMSDOZEIXLEBP-NSHDSACASA-N 362.348 1.899 0 40 FDAB CCn1c(=O)[nH]c2cc(C(=O)Nc3cccnc3N(C)C)ccc2c1=O 58249721 JEMVEVBJRDFUIP-UHFFFAOYSA-N 353.382 1.423 0 40 FDAB Cc1cccc(C(C)(C)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 58228099 FSSCCTWADHTICT-INIZCTEOSA-N 352.500 1.508 0 40 FDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58203233 LECMFUAKQKRUHW-MNOVXSKESA-N 363.451 1.932 0 40 FDAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3C)cc1OC 26850758 RKZXPUYSNIKLCD-ZDUSSCGKSA-N 351.428 1.793 0 40 FDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 57426482 STDGOIZVLOAXFY-UHFFFAOYSA-N 372.406 1.359 0 40 FDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccnc(N3CCOCC3)n2)C1 100175144 GKEMHWFCIYNKEI-HOTGVXAUSA-N 367.453 1.094 0 40 FDAB CS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1 48354593 DOTCXMOJLMJRBO-UHFFFAOYSA-N 366.483 1.275 0 40 FDAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 408962932 LFOFOQLHVSJBDS-YVLHZVERSA-N 365.389 1.952 0 40 FDAB Cn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)[nH]c1=O 38141159 BHBSAQZVNKDWOE-UHFFFAOYSA-N 373.372 1.497 0 40 FDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)C[C@@H](C)O1 13131414 QXPWONXMFLYAMH-PHIMTYICSA-N 365.434 1.526 0 40 FDAB O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 13324262 RKFQNAMPCDHHKF-OAHLLOKOSA-N 354.809 1.871 0 40 FDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1OC 3904273 URHYRWVIWDEJME-HNNXBMFYSA-N 350.371 1.521 0 40 FDAB COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F 14189912 KBOZENLSDWXJOR-UHFFFAOYSA-N 352.387 1.341 0 40 FDAB NC(=O)COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 14482233 FJDCHSLUFOEMAK-UHFFFAOYSA-N 353.378 1.695 0 40 FDAB COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 6650239 NGVJOUYBUOCCEI-ZZXKWVIFSA-N 369.377 1.554 0 40 FDAB COC(=O)COC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 9338803 PDGYPJXBFRCQRR-UHFFFAOYSA-N 374.374 1.577 0 40 FDAB O=c1c2ccccc2nnn1CSc1nnnn1-c1cccc(F)c1 7169776 DOSQQEZWRQOSJM-UHFFFAOYSA-N 355.358 1.656 0 40 FDAB NC(=O)c1oc2ccccc2c1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 67773208 LNHLDLNMBITKAS-QWRGUYRKSA-N 369.377 1.645 0 40 FDAB O=C(NCC(=O)N1CCCCC1)[C@H]1CCCN1C(=O)Cc1ccccc1 67843117 LJVXLJGYKQTQFQ-QGZVFWFLSA-N 357.454 1.349 0 40 FDAB CC(C)(C)NC(=O)COC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7574446 ZQPTXQXRSDSTDS-UHFFFAOYSA-N 353.419 1.089 0 40 FDAB Cc1nn(C)c(C)c1CCC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 71793587 FDWZWOVJSOAZOJ-CQSZACIVSA-N 352.504 1.786 0 40 FDAB COc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1Br 7760465 TZRNANWGXSHIMD-NSHDSACASA-N 372.215 1.910 0 40 FDAB CN(CCS(=O)(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 16555600 FYEGDEHEXIYZQO-UHFFFAOYSA-N 357.435 1.829 0 40 FDAB CCN1CCO[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)C1 91842698 OHNQFJQOZITYTL-QWHCGFSZSA-N 354.476 1.333 0 40 FDAB COC1(C(=O)N2CC[C@@H](c3ccccc3)O[C@H](C)C2)CS(=O)(=O)C1 1551349120 SYNONTMTBQSWGS-HIFRSBDPSA-N 353.440 1.179 0 40 FDAB Cc1ccc(-c2nnc(CCC(=O)N[C@]3(C)CCS(=O)(=O)C3)o2)cc1 39995463 TVXMOCKWWUZBPV-QGZVFWFLSA-N 363.439 1.671 0 40 FDAB CC(=O)Oc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1 34107625 AZBLTVAPPMVSDE-GDNBJRDFSA-N 364.386 1.686 0 40 FDAB COc1c(CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)oc2ccccc12 563892541 TUNNTQQXUCCGRP-GOSISDBHSA-N 372.381 1.277 0 40 FDAB C[C@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326791 GVADOCYUNBUVED-XCLFUZPHSA-N 370.453 1.608 0 40 FDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=S)N(C)[C@]1(O)C(F)(F)F 35268021 XHFUEAPNRAWBBO-COPLHBTASA-N 362.373 1.978 0 40 FDAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2nccs2)s1 139052495 HBUHGWKOGSVFDK-UHFFFAOYSA-N 355.401 1.204 0 40 FDAB NC(=O)c1cc(C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)n[nH]1 225557621 IWRRLCFWFRWJEP-UHFFFAOYSA-N 365.397 1.109 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@](O)(c1ccco1)C1CC1 75154935 YEBQPPJHLHZLQE-GOSISDBHSA-N 363.435 1.857 0 40 FDAB O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccn1 40268024 KWMHZJJMKLQEFA-UHFFFAOYSA-N 353.426 1.934 0 40 FDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCc1ccccc1 225880856 LNVPMYYEMTWNCQ-UHFFFAOYSA-N 353.469 1.820 0 40 FDAB COc1ccccc1CN(C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 140175607 JPWRUASWSMQGHJ-IYBDPMFKSA-N 356.422 1.995 0 40 FDAB C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(F)(F)F)nn1 576527454 LJIVGULFWCPCMW-NSHDSACASA-N 373.379 2.212 0 40 FDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 333369459 ISESWBXYKHYDRC-JSGCOSHPSA-N 364.471 1.284 0 40 FDAB CC(C)n1ncc2cc(S(=O)(=O)N[C@@H]3CCC(=O)N[C@H]3C)ccc21 577139727 JZYBIAQGSUSJAL-SMDDNHRTSA-N 350.444 1.563 0 40 FDAB CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CN(C(C)=O)CCN3C)n2c1 96156738 OBZJKHKERQYGEJ-INIZCTEOSA-N 372.473 1.483 0 40 FDAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CN(C(C)=O)CCN3C)n2c1 96156739 OBZJKHKERQYGEJ-MRXNPFEDSA-N 372.473 1.483 0 40 FDAB Cn1cccc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 96057557 PFMZOIPJXRFUSK-DJIMGWMZSA-N 357.410 1.697 0 40 FDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)CCO)cc2)cc1 95116918 AKQBVPYITATTJJ-UHFFFAOYSA-N 362.451 1.884 0 40 FDAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 331372890 AKQKHKVWHFRBTP-ACJLOTCBSA-N 361.446 1.288 0 40 FDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96043212 ULUNZQUSLPPCBX-JQHSSLGASA-N 352.475 1.188 0 40 FDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccnnc2)cs1 96056589 BNTBMBAYJOVXDV-HUUCEWRRSA-N 357.439 1.647 0 40 FDAB COc1cc(N2CC3(C2)OCC[C@H]3CCNC(=O)c2cccn2C)ncn1 248106185 FZLLXLHIXALGTE-CQSZACIVSA-N 371.441 1.239 0 40 FDAB Cc1cc(O)nc(N2CCC(NC(=O)c3cc(-c4ccco4)n[nH]3)CC2)n1 253537709 NVJIKLNDXIZPRK-UHFFFAOYSA-N 368.397 1.873 0 40 FDAB COC(=O)c1cc(C)nc2nc(SCCc3cnn(C)c3)nc(O)c12 584440159 FSDAMBIFMOORIE-UHFFFAOYSA-N 359.411 1.894 0 40 FDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257306639 SVCOYUQWVJAILH-OAHLLOKOSA-N 364.475 1.519 0 40 FDAB COCc1c(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)noc1C 257240773 HVDSHMZXVLIVLA-ZDUSSCGKSA-N 359.430 1.987 0 40 FDAB COC(C)(C)C(=O)N1CCO[C@H](c2ncncc2-c2ccnc(N)c2)C1 257307778 TUBYHTOMQXFXGQ-AWEZNQCLSA-N 357.414 1.446 0 40 FDAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2cncs2)CC1 257318393 VNSXUVRTVSSTPV-UHFFFAOYSA-N 367.500 1.661 0 40 FDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cccc(OC)c1Cl 585110741 PFCMJSQFFSXQSH-KRWDZBQOSA-N 354.834 1.645 0 40 FDAB CNC(=O)CN1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 257267842 MIYNRCLMPAXTMJ-OAHLLOKOSA-N 369.473 1.861 0 40 FDAB Cn1nccc1CCC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257275831 NRCNWUQGFQJYBH-HNNXBMFYSA-N 354.414 1.855 0 40 FDAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C(=O)O 443468331 VKOUYALQLYOPNC-UHFFFAOYSA-N 350.400 1.658 0 40 FDAB O=C(O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(F)c1 262374982 KOYQRRYRVPPCGM-CYBMUJFWSA-N 364.373 1.235 0 40 FDAB Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1C 451097752 FHFUEVAPVGJLLR-LBPRGKRZSA-N 365.411 1.960 0 40 FDAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnc3ccc(C)cn3c2=O)C1 644117780 OULAEQNCKFMTLZ-OCCSQVGLSA-N 353.382 1.328 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(CCc2c(F)cccc2Cl)CCO1 648048969 YVNXEERHGPPMKY-CYBMUJFWSA-N 372.824 1.656 0 40 FDAB CC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2ccccc2C(=O)O)CC1 656181952 XSKADAFABZBIIG-UHFFFAOYSA-N 368.455 1.700 0 40 FDAB COC[C@@H](C)NC(=O)Cc1noc(-c2cc(OC)nc3ccccc23)n1 664845198 WRJQRAOAFNUWTA-LLVKDONJSA-N 356.382 1.987 0 40 FDAB NC(=O)c1cc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F 671456483 MGSBWHYWWKYDRM-DAXOMENPSA-N 365.405 1.708 0 40 FDAB COC1(CO)CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 683677124 KDFBPCPQMOMCEG-UHFFFAOYSA-N 362.474 1.484 0 40 FDAB O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN2CCOC[C@H]2C1 606444774 OAXOAYGEYJQWIP-FRRDWIJNSA-N 351.369 1.212 0 40 FDAB Cn1cc(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)nn1 90582765 RRRBFTHDIZGBAZ-UHFFFAOYSA-N 358.383 1.315 0 40 FDAB Cc1ccc(CS(=O)(=O)N2CC3(CCNCC3)[C@H]3COC[C@H]32)cc1F 1615589876 MCSKUBQWXYTZFU-DOTOQJQBSA-N 368.474 1.664 0 40 FDAB O=C(c1cccc(O)c1)N1Cc2cncn2[C@H](C(=O)N2CCCCO2)C1 585095917 BIHOVBLUKHIWSW-INIZCTEOSA-N 356.382 1.340 0 40 FDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)N3CCCC3)C2)cn1 585112031 HJWWSQCLNFMEEM-INIZCTEOSA-N 357.462 1.369 0 40 FDAB Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3cn4ccccc4n3)C2)n1 1775959761 VDUWFEXWNTUFQM-SFHVURJKSA-N 355.398 1.164 0 40 FDAB O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C2(C(=O)O)CCC2)CC1 583633589 MWTNOUWNPWDFLS-UHFFFAOYSA-N 364.829 1.808 0 40 FDAB Cc1ccc(CNC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1 585188716 KUVYPYVPYAPRRW-HNNXBMFYSA-N 373.478 1.970 0 40 FDAB Cc1ccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)cc1F 11927695 BCSQNYPOPXAPKK-UHFFFAOYSA-N 360.389 1.750 0 40 FDAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)[C@H]2CC(=O)N(C)C2)cc1 12145677 KRMQCYWPFFQHTO-GUYCJALGSA-N 368.437 1.853 0 40 FDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccn2)cc1 14094615 GCEAJTIVOCHQNT-LBPRGKRZSA-N 361.423 1.898 0 40 FDAB O=c1nc(N2CCOCC2)[nH]c2c1CCN(Cc1cccc(F)c1)CC2 19293906 QMWBGJPSPIEBGE-UHFFFAOYSA-N 358.417 1.346 0 40 FDAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19376670 VTMWUCRJISENSO-GOSISDBHSA-N 362.437 1.836 0 40 FDAB CN(C)CCN(C)c1nc(O)cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 19582500 LFBPLZGKBXCTEM-ZDUSSCGKSA-N 373.432 1.840 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)NCc3ccccc3N3CCCC3)cnc21 19715850 BVJKDSZQISBEQD-UHFFFAOYSA-N 366.425 1.047 0 40 FDAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1OC 12145370 FWOIKHQDCAAWQG-HNNXBMFYSA-N 366.421 1.938 0 40 FDAB O=C1Cc2cc(S(=O)(=O)Nc3cnn(-c4ccncc4)c3)ccc2N1 589149082 DNIJKHFXCXRXHX-UHFFFAOYSA-N 355.379 1.563 0 40 FDAB Cn1cnc2ncnc(N3CCN(c4nc(O)cc(C5CC5)n4)CC3)c21 1888899157 MJQLCNGIMKWWKC-UHFFFAOYSA-N 352.402 1.063 0 40 FDAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C[C@@H]1CCCO1 17180282 RUJLPDSNCLQIPC-AWEZNQCLSA-N 369.425 1.610 0 40 FDAB Cc1nc2sccc2c(=O)n1CCNS(=O)(=O)c1cccs1 238948032 WPLOVKYHNBUIAF-UHFFFAOYSA-N 355.466 1.806 0 40 FDAB Cc1ncnc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)c1C 1565543470 MXFAEXGDGYRTFB-RYRKJORJSA-N 354.410 1.939 0 40 FDAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565547937 UEIYVHCPRVLGNV-RCCFBDPRSA-N 365.449 1.490 0 40 FDAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1 8954879 NJXWQDYGWFYWSI-UHFFFAOYSA-N 361.448 1.950 0 40 FDAB O=C(NCc1cccnc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 10188513 KNGUFYXCZFWPFC-UHFFFAOYSA-N 352.394 1.853 0 40 FDAB O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1cc(Cl)cc(Cl)c1 10186501 GKRABCIWHWSNPV-GFCCVEGCSA-N 365.213 1.374 0 40 FDAB CC(=O)Nc1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)nn1 11738668 BWYYYCBTJJFVRC-UHFFFAOYSA-N 360.395 1.572 0 40 FDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4cnn5ccccc45)C[C@H]3O2)n[nH]1 2055771679 QQSNNWIFXAMBGA-APHBMKBZSA-N 352.398 1.753 0 40 FDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cc(C)on2)CC1 2055734695 MDGFYDNGVCAMIU-UHFFFAOYSA-N 360.389 1.955 0 40 FDAB Cc1ccc(NCCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1 10049276 YYYWJDWKSUQSEV-UHFFFAOYSA-N 366.425 1.713 0 40 FDAB O=S(=O)(c1ccc(Br)s1)N1CC(Cn2cncn2)C1 952964496 DEOCRHRDCJFZDT-UHFFFAOYSA-N 363.262 1.423 0 40 FDAB COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 36697311 QWSKRWHJXGDPNG-UHFFFAOYSA-N 354.362 1.860 0 40 FDAB CCOC(=O)c1sc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)nc1C 40129526 HUEYNCTZPUREED-UHFFFAOYSA-N 374.426 1.864 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ncccn2)CC1 40159423 XTPNNXJIGBKVMG-OAHLLOKOSA-N 357.414 1.173 0 40 FDAB CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1=O 101461396 UZQIEGRTJGGLFX-SNVBAGLBSA-N 365.238 1.808 0 40 FDAB CN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc2ccccc2c1 814538 YNXSCAQLTSRWLL-INIZCTEOSA-N 362.451 1.756 0 40 FDAB CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 820157 ZIOGHKKMAHBMBE-UHFFFAOYSA-N 374.422 1.127 0 40 FDAB COc1cccc(NC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 24193347 SJIFJQQGXXOECV-CQSZACIVSA-N 353.444 1.032 0 40 FDAB O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1CCCN(c2ncccn2)C1 43078177 PDIGQJMEOZMMEK-HUUCEWRRSA-N 369.425 1.585 0 40 FDAB COc1cccc([C@@H](NS(=O)(=O)N2CCCCC2)c2nccn2C)c1 24758782 ODJHHWHYBBUUKK-MRXNPFEDSA-N 364.471 1.838 0 40 FDAB COC(=O)COc1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 24957938 MKOVVYPEKLSKIR-UHFFFAOYSA-N 371.392 1.799 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 922385 WZFSSFJYINWXLB-UHFFFAOYSA-N 355.412 1.437 0 40 FDAB COc1ccc(C)cc1CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 26212389 JUZNNVJWXHKFDU-HNNXBMFYSA-N 354.472 1.476 0 40 FDAB O=C(NCc1ccco1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 6759055 JUCBXOUDXLICGZ-OAFZBRQQSA-N 354.362 1.471 0 40 FDAB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1NC(=O)c1ccccc1 8334746 MGBXQOLYBCTZPE-UHFFFAOYSA-N 368.418 1.403 0 40 FDAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 44667918 SZKVUYXULVMBFX-UHFFFAOYSA-N 369.424 1.345 0 40 FDAB COc1ccc(CCC(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 58194515 DVZWXXALEPJHTB-UHFFFAOYSA-N 354.410 1.402 0 40 FDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1OC 58227501 IDWQLFIUUJBDGH-UHFFFAOYSA-N 360.435 1.735 0 40 FDAB CCCCCS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](O)c1ccc(OC)cc1 95444128 AYZLHBPVCYKJKH-SUMWQHHRSA-N 357.472 1.838 0 40 FDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 54323009 GDQRHMOGLOHNOO-INIZCTEOSA-N 366.465 1.902 0 40 FDAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 10666026 GCXWGGRQKAKNTE-UHFFFAOYSA-N 353.400 1.340 0 40 FDAB CN(C)C(=O)CNC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22800165 IQUFCKGCKLKBPX-UHFFFAOYSA-N 374.510 1.223 0 40 FDAB CCOC(=O)N1[C@H]2C=C(C)[C@@H](ON2C(=O)c2ccccc2)[C@H]2[C@@H](C)C(=O)N21 101039832 IGNFLHPTHATALL-DTZQCDIJSA-N 371.393 1.949 0 40 FDAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccccc1 57414360 FULJYVLEHRXZKM-MRXNPFEDSA-N 361.467 1.907 0 40 FDAB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc(C(N)=O)c1C 2486620 XGWGLUQSFGODKH-DTWKUNHWSA-N 366.395 1.548 0 40 FDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCc2sccc2[C@H]1c1ccccc1 29280296 AFOZVOLWVCIKTR-GOSISDBHSA-N 367.430 1.772 0 40 FDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 29362138 WJMMMZXCPMTQCY-APWZRJJASA-N 371.481 1.535 0 40 FDAB CCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)s2)CC1 12734384 JTYGKVNLKQIRIW-UHFFFAOYSA-N 372.512 1.950 0 40 FDAB COc1ccc(O)c(C(=O)c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 48375435 YYNJWQHDBFPVJN-MRXNPFEDSA-N 350.396 1.362 0 40 FDAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1cccc(S(N)(=O)=O)c1 48326017 XOCRXKIJYXBINY-LBPRGKRZSA-N 354.453 1.515 0 40 FDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc3n(c2=O)CCS3)cc1 12963758 IFIBRBBVQXKMBN-LLVKDONJSA-N 359.407 1.841 0 40 FDAB CCOC(=O)c1c[nH]c(N2CCN(c3cccc(OC)c3)CC2)nc1=O 20636445 WOOSNSGJEIRSJQ-UHFFFAOYSA-N 358.398 1.282 0 40 FDAB COc1ccccc1S(=O)(=O)N1CCO[C@H](c2noc(C(C)C)n2)C1 96000521 LXYMHFJICIKGQD-ZDUSSCGKSA-N 367.427 1.964 0 40 FDAB COc1ccc(NC2=NC(=O)[C@@H](CC(=O)NCCc3ccccc3)N2)cc1 13722467 CGEBUHGHKZCCGQ-QGZVFWFLSA-N 366.421 1.711 0 40 FDAB CCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 14141842 NIEFCTCQEZYXCD-BOLDSZDNSA-N 357.454 1.579 0 40 FDAB C[C@H](NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C(=O)O 9484359 CBNZKURGBBWQGZ-ZDUSSCGKSA-N 372.425 1.427 0 40 FDAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccco2)Oc2ccc(Cl)cc21 20045469 PBDUYPQLVAWMNF-AWEZNQCLSA-N 370.814 1.776 0 40 FDAB O=C(CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3)NCCO 8582880 NNVTUKLUIBQQHJ-UHFFFAOYSA-N 353.469 1.454 0 40 FDAB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2ccccc2)CC1 8710952 BKVQDTWRJUSFBD-UHFFFAOYSA-N 354.435 1.807 0 40 FDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1 224618465 UKDZGRMVMLNABQ-UHFFFAOYSA-N 370.412 1.662 0 40 FDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 71285459 YHQOBDGIDSCHNR-STQMWFEESA-N 352.412 1.304 0 40 FDAB COC(=O)Cn1cnc2c(sc3nc(N4CCOCC4)cc(C)c32)c1=O 71280431 KXEORDDNMIZXEP-UHFFFAOYSA-N 374.422 1.324 0 40 FDAB CCCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1 9184000 GJHDOTBIRIZUDN-UHFFFAOYSA-N 355.441 1.912 0 40 FDAB COc1ccc(-c2nc(CNC(=O)[C@H]3CCc4nnc(C)n4C3)no2)cc1 89740885 LXPVBYPWZVKKFY-ZDUSSCGKSA-N 368.397 1.524 0 40 FDAB CC(C)Oc1ccccc1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 89890935 SUNWCXFMDCSYML-KRWDZBQOSA-N 352.500 1.779 0 40 FDAB Cn1cc([C@@]2(C)NC(=O)N(Cc3nc(Cc4ccccc4)no3)C2=O)cn1 89917131 ZEJJJSAMPKPCJG-GOSISDBHSA-N 366.381 1.361 0 40 FDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCO[C@H](c2nccs2)C1 171665856 FMQZOPHOUAYYCB-DOMZBBRYSA-N 372.450 1.890 0 40 FDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1 547554307 KSFZABDZNJNSIR-SWLSCSKDSA-N 365.411 1.030 0 40 FDAB CS(=O)(=O)N1CC([C@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306137500 QXVVNXROSILHLI-MRXNPFEDSA-N 357.435 1.717 0 40 FDAB CS(=O)(=O)N1CCO[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 306130325 JCNOJRAXNQIQLM-AWEZNQCLSA-N 359.411 1.124 0 40 FDAB O=C(N[C@]1(CO)COc2ccccc2C1)c1cc(N2CCOCC2)ccn1 529821686 WRASHMSQGKKGGO-HXUWFJFHSA-N 369.421 1.014 0 40 FDAB O=C(Cn1c(=O)n(CCO)c(=O)c2ccccc21)c1ccc(Cl)cc1 71280174 LLNCQFFEXHWPOU-UHFFFAOYSA-N 358.781 1.692 0 40 FDAB COc1cc(N2CCC[C@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)ncn1 96075643 YRAAQTGBBUVOHP-LPHOPBHVSA-N 361.490 1.108 0 40 FDAB Cn1cc(N2C[C@@]3(COCCN(Cc4cccs4)C3)OCC2=O)cn1 96051421 MWFREVIALFWDFC-KRWDZBQOSA-N 362.455 1.116 0 40 FDAB CCN1C[C@@]23CN(C(=O)Nc4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96264050 PZABGKOTCNUTLL-YCPHGPKFSA-N 351.428 1.096 0 40 FDAB CC(=O)N1CCO[C@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1 96157147 KNFDPFGTDDWKPW-MRXNPFEDSA-N 356.419 1.228 0 40 FDAB Cn1cccc1C(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 248110708 HBSFUULIDUYEPH-MRXNPFEDSA-N 357.458 1.577 0 40 FDAB Cc1ncc(-c2cccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)n1C 257322382 WFTGEFRBXWWKJW-CQSZACIVSA-N 363.487 1.776 0 40 FDAB CN(C)C(=O)c1cnn2c([C@H]3CCCCN3c3ncccn3)ccnc12 257202185 AKUJEUKNXOQDAL-CQSZACIVSA-N 351.414 1.953 0 40 FDAB C[C@H]1c2nc(C(=O)NCCc3cccs3)cn2CCN1S(C)(=O)=O 253591298 LPKKNUBYBUZWLO-NSHDSACASA-N 368.484 1.253 0 40 FDAB COCc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)c1 257240598 HUGLYBDLPMNRAH-IBGZPJMESA-N 356.426 1.336 0 40 FDAB Cc1ncncc1C(=O)N1CCC(c2nccnc2-c2cncn2C)CC1 257218055 DBRDPCQJJHUHNW-UHFFFAOYSA-N 363.425 1.995 0 40 FDAB Cc1cncc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)c1 257232407 GKSXFUGFEOYOLF-IAGOWNOFSA-N 356.378 1.281 0 40 FDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCN(C)C2)c1 257270137 MSXTXVKGDZPKTQ-MRXNPFEDSA-N 369.469 1.580 0 40 FDAB O=C(CCc1cccc(F)c1)NC[C@]1(O)CCCN(c2cnccn2)C1 257218310 DCPQZCFQNKFCSC-LJQANCHMSA-N 358.417 1.696 0 40 FDAB COc1cccc2ncnc(N3CCN([C@H](C)C(=O)N4CCCC4)CC3)c12 543977373 VBYZTDJRHZXTBX-OAHLLOKOSA-N 369.469 1.771 0 40 FDAB COc1ncc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 257342093 ZNBVLPMSBJHJPA-HNNXBMFYSA-N 351.414 1.841 0 40 FDAB CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2ccc(N(C)C)nc2)cn1 589207434 YSQPQLCXLFDPPR-MRXNPFEDSA-N 363.487 1.336 0 40 FDAB Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)O)c2)cnn1[C@@H]1CCOC1 451098181 GTSSUEVSDZKGJL-GFCCVEGCSA-N 369.374 1.791 0 40 FDAB Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1Cn2c(C)nnc2CN1C 644414161 GRQQJOWDPZVGID-MRXNPFEDSA-N 351.414 1.533 0 40 FDAB COCCc1ccc(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)O)cc1 647927446 ONOXBWWQBNQCKB-MRXNPFEDSA-N 357.428 1.130 0 40 FDAB Cc1cc(N2CCC[C@H](NC(=O)c3cn4nccc4nc3C)C2)nc(C)n1 648297021 FNNXTMJXOYYSPX-HNNXBMFYSA-N 365.441 1.843 0 40 FDAB C=CC(=O)Nc1cc(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)ccc1F 1149122990 VVYNLEKTVQWSDX-OAHLLOKOSA-N 356.375 1.092 0 40 FDAB Cn1ncc(C(=O)N[C@H]2Cc3cccnc3NC2=O)c1Cc1ccccc1 1176671258 YDDSVUARNDGMNQ-INIZCTEOSA-N 361.405 1.699 0 40 FDAB Cc1ccoc1C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575404771 PWOOSJXUCILQKD-HNNXBMFYSA-N 362.426 1.601 0 40 FDAB Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)sc1C 570622830 MWMSMTJADWCSSR-LBPRGKRZSA-N 354.453 1.982 0 40 FDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCC2CC2)[C@@H](O)C1 585285069 NUCNVDZQZJXPBN-WMZOPIPTSA-N 352.862 1.206 0 40 FDAB O=C(C[C@@H]1CN(c2ncc(F)cn2)Cc2cccn2C1)N1CCOCC1 585099225 WKNSMNOBDZYAFN-AWEZNQCLSA-N 359.405 1.303 0 40 FDAB Cc1ccc(N2CCC(O)(CN3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)CC2)cc1 585282993 LTLACCSYGMHPFX-YSIASYRMSA-N 359.514 1.466 0 40 FDAB O=C1NC2(CCN(C(=O)c3cccs3)CC2)[C@H]2CN(CC3CC3)C[C@@H]12 585106062 IQHUXTPFTRANNR-CABCVRRESA-N 359.495 1.811 0 40 FDAB CCC1(N2CCOCC2)CCN(C(=O)N=c2cc[nH]cc2N(C)C)CC1 952994652 CWBKRGSUPCEEQJ-UHFFFAOYSA-N 361.490 1.678 0 40 FDAB CN(C(=O)c1cnn(C)c1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523705 XRZCFMZFLXVVMK-UHFFFAOYSA-N 368.445 1.116 0 40 FDAB COC(=O)CNC(=O)c1cccc(NC(=O)[C@](C)(O)Cc2ccccc2)c1 78902980 NBDNTIIDHQUCAC-HXUWFJFHSA-N 370.405 1.522 0 40 FDAB COc1ncccc1C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 548021567 IWGLCARSFJWMFJ-STQMWFEESA-N 374.420 1.293 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1nccn1C 515681084 FCALTTSGDFSQKO-KBXCAEBGSA-N 356.426 1.525 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)N3CC(Oc4ccncc4)C3)CC2=O)cc1 591047019 HTHHEWKGIAEBNV-AWEZNQCLSA-N 367.405 1.733 0 40 FDAB CC(=O)N[C@@]12CCN(C(=O)CCc3ccccc3)C[C@@H]1CN(C(C)=O)C2 19713050 RTJNFSYXFNDRTM-UYAOXDASSA-N 357.454 1.205 0 40 FDAB Cc1nn(C)cc1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326179 PTAOKUPRJDMCRF-UHFFFAOYSA-N 360.433 1.581 0 40 FDAB COC(=O)c1cccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)c1 12587975 PQIMFTDXQNEYKA-UHFFFAOYSA-N 364.361 1.947 0 40 FDAB CCOC(=O)[C@H](C(=O)C(F)(F)F)[C@H](NC(N)=S)c1ccsc1 13464146 KJHDTGFPBYGSCW-JGVFFNPUSA-N 354.375 1.933 0 40 FDAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2c(s1)CCCC2 15879938 KIPTWBMEFOKZML-ZETCQYMHSA-N 351.457 1.807 0 40 FDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16637314 LSVDURQTNYAMHP-GFCCVEGCSA-N 358.460 1.629 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)N(C)Cc3nonc3C)C2)c1 19750521 APOKKBLMCADZLQ-CQSZACIVSA-N 358.398 1.507 0 40 FDAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2C(=O)C(C)(C)C)n1 19767118 ADMQFBVYCFURDS-OAHLLOKOSA-N 360.458 1.967 0 40 FDAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccnc1 19991143 NDMRRZXWCQBUEX-HXUWFJFHSA-N 367.405 1.179 0 40 FDAB O=S1(=O)C[C@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1Br 321880743 RXULENALKZZZDH-BDAKNGLRSA-N 366.258 1.009 0 40 FDAB CC1(C)O[C@@H]2[C@H](NC(=O)OCc3ccccc3)C[C@@H](OCCO)[C@H]2O1 309897605 OCBUGPAQVZSMFX-KLHDSHLOSA-N 351.399 1.583 0 40 FDAB CCOc1c(Cl)cc(CN2CCC[C@](O)(CC(N)=O)C2)cc1OC 643745306 BPGWXFBJKDQBCI-KRWDZBQOSA-N 356.850 1.950 0 40 FDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC2(CCCC2)C1=O 4547905 PLGJVWIBSZABGC-UHFFFAOYSA-N 361.398 1.856 0 40 FDAB COC[C@H](C)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 6845858 GKKYBSUSAWCCKE-VIFPVBQESA-N 354.208 1.254 0 40 FDAB CCn1cnc2c(N3C[C@H]4CN(c5nc(C)cc(C)n5)C[C@H]4C3)ncnc21 1888897435 FCHJOPDFUAGWIF-GASCZTMLSA-N 364.457 1.826 0 40 FDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CC1CCCCC1)CCO2 2037984814 OVGCXNQXZSLUGK-IBGZPJMESA-N 352.475 1.822 0 40 FDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)Cc1ccc(F)cn1)C2 1614933936 RINDTPAKSQTPSB-ZDUSSCGKSA-N 359.405 1.444 0 40 FDAB CS(=O)(=O)CCC(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 1565553314 TVWPOCSIVOJYOF-RHSMWYFYSA-N 367.471 1.078 0 40 FDAB COc1cccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4846592 IVCBTLWUAMTMFI-UHFFFAOYSA-N 360.391 1.156 0 40 FDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 8863597 SCJVCJKTJPFCTK-ZDUSSCGKSA-N 361.423 1.834 0 40 FDAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1cccc(Cl)n1 2055759327 LQZLRYIBNNIQIS-LLVKDONJSA-N 350.806 1.622 0 40 FDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CCCN(c2nccs2)C1 206834499 RQYYXQZFTDRNGV-CQSZACIVSA-N 358.467 1.906 0 40 FDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccncc2)CC1 21182409 AFNNPLJJXCZXMO-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB Cn1cnc2c1c(=O)n(CCCN1CCC[C@H]1c1ccsc1)c(=O)n2C 40154244 AOHJRKVZXKPEGH-AWEZNQCLSA-N 373.482 1.722 0 40 FDAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc12 40286137 ZWLVJRZSAZRYGG-LBPRGKRZSA-N 356.382 1.450 0 40 FDAB CC(C)(C)c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 20468187 LJAKRGLKGLVXIU-UHFFFAOYSA-N 354.472 1.467 0 40 FDAB COC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1)OC 40930146 YSDITNPNXBPBQS-UHFFFAOYSA-N 374.441 1.684 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1COc2ccccc2C1 53044621 PSADOIIXSSPBBD-CQSZACIVSA-N 365.389 1.200 0 40 FDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCOc1ccc2c(c1)CCC2 103649084 WWEKWRKQQDCBJJ-HDICACEKSA-N 370.449 1.846 0 40 FDAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)N1CCCCCC1 23401662 JYFYRCLEIANWDQ-UHFFFAOYSA-N 358.460 1.923 0 40 FDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1c(F)cccc1Cl 47636323 VKNKQMHECSDTAH-WFASDCNBSA-N 356.825 1.946 0 40 FDAB CN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 78881133 RREYVGAKZPKQDR-OAHLLOKOSA-N 355.479 1.613 0 40 FDAB CC(C)Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 4734791 DIHKYQCRADQJHG-GFCCVEGCSA-N 358.358 1.907 0 40 FDAB CCOC(=O)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112423 ZFQDQIGZZHQEJI-UHFFFAOYSA-N 354.160 1.432 0 40 FDAB CC(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 7939488 YWRDALYLVMBENA-GIDYTXSJSA-N 358.346 1.535 0 40 FDAB COCCCn1c(SCc2nc3ccsc3c(=O)[nH]2)n[nH]c1=O 7990730 PJHXWVSSQLHILX-UHFFFAOYSA-N 353.429 1.198 0 40 FDAB Cn1c(=O)c2c(ncn2C[C@@](C)(O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 57986997 PHIAYZMRMVGJDO-SVXLOUQOSA-N 372.469 1.401 0 40 FDAB O=C(Cn1c(-c2ccccc2)noc1=O)NC(=O)NCc1cccs1 58179940 IKGQOHHGTFUBJK-UHFFFAOYSA-N 358.379 1.591 0 40 FDAB CCOc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cn1 58160273 MTNLHVSWXJFGMO-SFHVURJKSA-N 354.366 1.787 0 40 FDAB Cc1ccc2nc(CNC(=O)CCNS(=O)(=O)c3ccccc3)cn2c1 58278244 RNKWDVAJSHOIAO-UHFFFAOYSA-N 372.450 1.628 0 40 FDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)o1 58217373 ABAMIPOJISDQRR-LJQANCHMSA-N 373.384 1.853 0 40 FDAB O=C(OCc1nnnn1-c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 58247376 XTTXEHZZUWIWKR-AWEZNQCLSA-N 363.377 1.759 0 40 FDAB COc1ccc2nc(COC(=O)c3ccncc3)c(C(C)=O)[n+]([O-])c2c1 2448295 KVKRLKSUXJAUCH-UHFFFAOYSA-N 353.334 1.831 0 40 FDAB CC1CCC(N(C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 46562629 XNCYALWPVZJQIT-RUXDESIVSA-N 369.487 1.189 0 40 FDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1cc2ccccc2cc1O 2635557 JHSQDZCJDIOOBV-UHFFFAOYSA-N 352.346 1.997 0 40 FDAB O=C(NCCCN1CCOCC1)NCCc1cnn(-c2ccccc2)c1 60906296 OWKYXWLLWCZLIN-UHFFFAOYSA-N 357.458 1.436 0 40 FDAB CCOC(=O)Cn1cc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12388862 AJZGFMKAOWMDHI-UHFFFAOYSA-N 359.357 1.408 0 40 FDAB COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c2ccccc12 12869894 PFVSINJQTGWNFH-UHFFFAOYSA-N 350.440 1.147 0 40 FDAB CN(C)C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 3427721 JFGHXYJDAFHIED-UHFFFAOYSA-N 362.407 1.732 0 40 FDAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12997586 QTKRIDRESGWYPQ-RYUDHWBXSA-N 372.516 1.131 0 40 FDAB CNC(=O)C1CCN(C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)CC1 12975396 PMCBTEPSJSKNMO-UHFFFAOYSA-N 373.482 1.527 0 40 FDAB Cc1cc(CC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)no1 96005343 AXFJMXXQJQHMHG-OAHLLOKOSA-N 355.460 1.379 0 40 FDAB Cn1c(=O)c2c(nc3[nH]c(C45CC6CC(CC(C6)C4)C5)cn32)n(C)c1=O 4171235 BAROQDMXTCPIGM-UHFFFAOYSA-N 353.426 1.681 0 40 FDAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 96116900 KASMMUUSVBQMJE-UHFFFAOYSA-N 351.345 1.650 0 40 FDAB Cc1cccc(COC[C@H]2CCOC23CN(c2ccc4nncn4n2)C3)n1 306130551 JJJYKAUXRMRVJV-OAHLLOKOSA-N 366.425 1.640 0 40 FDAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925111 XIMHBRWYDJFACW-BSOBWXRESA-N 366.498 1.796 0 40 FDAB COC(=O)c1ccc([C@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC)cc1 4649793 VJSBWJNRJPOCLH-WRSAYESZSA-N 360.366 1.130 0 40 FDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nnc(C2CC2)s1 96230677 UGBZLXVOHHJICI-LBPRGKRZSA-N 371.422 1.865 0 40 FDAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCO1 7033719 FFBLOTHEOSXIAM-NSHDSACASA-N 353.172 1.679 0 40 FDAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)on2)c2ccccc2O1 7274962 QXTWLXMRSWXVMJ-OAHLLOKOSA-N 358.398 1.715 0 40 FDAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1F 7348969 NFBRVLKAXMTWGR-LBPRGKRZSA-N 366.418 1.929 0 40 FDAB C[C@H](NC(=O)NCCN1CCOCC1)c1nc(-c2cccc(F)c2)no1 80656673 QSVSUQGQEXFCQT-LBPRGKRZSA-N 363.393 1.568 0 40 FDAB CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C(=O)OC 8151860 VZCBFBGRVCOVON-LKFCYVNXSA-N 357.790 1.906 0 40 FDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1CCN1CCOCC1 69141057 MZGKCYMVCJJLAA-RTBURBONSA-N 371.481 1.531 0 40 FDAB CCOC(=O)c1sc(NC(=O)CN(C)Cc2cnn(C)c2C)nc1C 17075109 PNZYRISIAWXKIH-UHFFFAOYSA-N 365.459 1.741 0 40 FDAB Cn1c(SCC(=O)N2CCN(c3ccccn3)CC2)nnc1C1CC1 8474023 PYVJPGDLBWWDAP-UHFFFAOYSA-N 358.471 1.528 0 40 FDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 8735548 GQPKHQKRDFCTAZ-UHFFFAOYSA-N 362.407 1.296 0 40 FDAB COC(=O)[C@H](CCSC)NC(=O)Cn1c(=O)c(C)nc2ccccc21 72325971 DWOZZIYVNVVJKW-ZDUSSCGKSA-N 363.439 1.116 0 40 FDAB biogenic Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCCN1CCOCC1 98071158 CCHJYDMRSWIVFG-UHFFFAOYSA-N 363.849 1.681 0 40 FDAB CCCCNC(=O)CN1CCN(CC(=O)NCCCC)[C@H](CCC)C1 84744534 YTAOPSFOFUFDKD-QGZVFWFLSA-N 354.539 1.605 0 40 FDAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 95469789 GJPXNONTXWABGY-SFHVURJKSA-N 372.513 1.494 0 40 FDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc(C(N)=O)cc1 95474161 CCXWXHGLQKQKBA-UHFFFAOYSA-N 354.341 1.582 0 40 FDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccccc2)CC1 9943714 UJHUGBACXGPFLB-UHFFFAOYSA-N 363.417 1.928 0 40 FDAB CS[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C[C@H]1N(C)C 89568459 VMYCFYIHQALSEZ-WBVHZDCISA-N 372.494 1.659 0 40 FDAB CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 75610434 ORXXSIZGGFSVDA-CYBMUJFWSA-N 350.415 1.386 0 40 FDAB CN(CC(=O)N1CCC[C@H]1COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 113434835 GFZGDOVLJRWGTO-JKSUJKDBSA-N 366.483 1.175 0 40 FDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)CC1 408625757 UDMRTDBDDGMVQE-UHFFFAOYSA-N 368.455 1.917 0 40 FDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(CC(F)(F)F)CC1 38679318 GSOIYMAXQOKGPG-UHFFFAOYSA-N 364.389 1.557 0 40 FDAB COc1ccc(OC)c(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1 408999341 RHAFFPNPJRESOH-GFCCVEGCSA-N 367.402 1.411 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1F 32101992 UEIKMXHDWKDVPV-ZDUSSCGKSA-N 355.369 1.934 0 40 FDAB CC(=O)OCC[C@@H](SC(=S)NCc1cnc(C)nc1N)C(C)=O 38643887 KGQSETSDUBYCAU-GFCCVEGCSA-N 356.473 1.386 0 40 FDAB in-vitro O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636535 MLKNGGKUPDWZHS-OAHLLOKOSA-N 372.368 1.931 0 40 FDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 72354754 OXOPQILRECRSEI-CQSZACIVSA-N 365.434 1.808 0 40 FDAB O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 138899974 ZNUOISOGOILODA-FQEVSTJZSA-N 368.433 1.975 0 40 FDAB COc1c(CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)oc2ccccc12 563892542 TUNNTQQXUCCGRP-SFHVURJKSA-N 372.381 1.277 0 40 FDAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cc1 44843769 NBWAKHXMSAGUJG-HNNXBMFYSA-N 351.516 1.930 0 40 FDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(C4C(C)(C)C4(C)C)[nH]n3)cnc21 572455003 FCWVBPVUNZFAIC-UHFFFAOYSA-N 369.429 1.641 0 40 FDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223298234 XDJINMGTKJNCPG-UHFFFAOYSA-N 364.379 1.138 0 40 FDAB Cc1nc(CN2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)cs1 96197576 RJWRIAWXXBRKGL-UHFFFAOYSA-N 356.455 1.659 0 40 FDAB Cn1cc(S(=O)(=O)NC[C@@H](Cc2cccc(Cl)c2)C(=O)O)cn1 578108123 ZNVOBXKUXYGWJY-LLVKDONJSA-N 357.819 1.295 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnc2scc(C)n2c1=O 95472850 DVOGOLFGPNXOHO-CQSZACIVSA-N 371.418 1.579 0 40 FDAB COC(=O)CCC(=O)N1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2C1 96245448 UHYYCOVGOWOAON-IAGOWNOFSA-N 358.438 1.489 0 40 FDAB Cc1noc(-c2ccn3c(CNC(=O)c4snnc4C)nnc3c2)n1 238836131 GTBHYPPAZWUMCD-UHFFFAOYSA-N 356.371 1.178 0 40 FDAB C[C@@H](C(=O)O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 580194649 ZFABBKNDPIVHCY-KCJUWKMLSA-N 360.288 1.527 0 40 FDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cnccn2)C1 96057721 MRYKJADMRIXAQF-APHBMKBZSA-N 356.382 1.006 0 40 FDAB CN(C)C(=O)COC[C@H]1CC2(CCN(CC3CCOCC3)CC2)CO1 96105955 IVWKWDZFRGROMN-QGZVFWFLSA-N 354.491 1.389 0 40 FDAB CC(C)n1ccnc1CN1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257327701 XCHSPEJVNLTJMT-GFCCVEGCSA-N 353.448 1.164 0 40 FDAB COc1cccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1C 614647700 VKMIBMBPLFNCEA-RDTXWAMCSA-N 356.426 1.829 0 40 FDAB O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1cc(O)nc(C2CC2)n1 623036342 XJKUVNJLKLCCEZ-AWEZNQCLSA-N 359.407 1.459 0 40 FDAB CNC(=O)C[C@]1(O)CCCN(C(=O)Cc2c(C)nn(C(C)C)c2C)C1 644033368 RMOKPSSHRIVWPY-GOSISDBHSA-N 350.463 1.113 0 40 FDAB COc1ccc(Cn2nnc(C(=O)NC(C)(C)c3noc(C)n3)c2C)cc1 649673275 LWLRNIMIFDSDOA-UHFFFAOYSA-N 370.413 2.000 0 40 FDAB Cc1nc[nH]c1CC(=O)N1CCOC2(CCN(C(=O)C3CC=CC3)CC2)C1 1775990003 BSBJMUMFUKOSTM-UHFFFAOYSA-N 372.469 1.447 0 40 FDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 585098738 YQIAKRVYEMREQE-IOASZLSFSA-N 356.426 1.894 0 40 FDAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 585095422 XGAXJYNYPYSHGO-INIZCTEOSA-N 361.471 1.510 0 40 FDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)Cn2ccnc2C)C1 585276172 DHALBOFMYPUOFB-IBGZPJMESA-N 359.426 1.515 0 40 FDAB CN(C)C(=O)[C@H]1CC[C@H](C(=O)O)N(Cc2ccc(-n3ccnc3)cc2)C1 685940335 FBENFKKQHXYLHX-DOTOQJQBSA-N 356.426 1.626 0 40 FDAB CN(C(=O)CCC(F)(F)F)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565520651 ATYNBWGTSSTCGN-UHFFFAOYSA-N 368.363 1.991 0 40 FDAB COCCS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC)CCC2)cc1 75105520 VXQPVQFYRJPZDI-UHFFFAOYSA-N 369.439 1.322 0 40 FDAB COCCn1cc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cn1 58162875 ONAVEUUYNCGAIL-UHFFFAOYSA-N 364.837 1.932 0 40 FDAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(c2ncccn2)CC1 96025850 GZXZETHREQZGTN-UHFFFAOYSA-N 364.475 1.022 0 40 FDAB O=S(=O)(NCC1(OCCO)CCCC1)c1cccc2nsnc12 888107210 YSBSGUHMHDAGNT-UHFFFAOYSA-N 357.457 1.291 0 40 FDAB Cc1cc(Br)cn2c(CNC[C@H]3CN(C)CCN3C)cnc12 1620791368 KKDMSTQPKSKUSQ-HNNXBMFYSA-N 366.307 1.741 0 40 FDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)C1 5016704 XKYCVYXIDKXDQM-ZDUSSCGKSA-N 371.455 1.976 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1 5703327 NYWQEEQPHFWZDJ-UHFFFAOYSA-N 353.444 1.278 0 40 FDAB CC(=O)N1CCN(C(=O)CCc2c(C)c3ccc(O)cc3oc2=O)CC1 13693379 KXPUWAMNZFXICI-UHFFFAOYSA-N 358.394 1.430 0 40 FDAB CC(C)c1nccn1CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19454386 RGVAFBIASYYPFW-MRXNPFEDSA-N 354.458 1.806 0 40 FDAB Cc1[nH]c2nc(C(=O)NC(C)(C)CN3CCCC[C@H]3C)nn2c(=O)c1C 19576952 JYBIWPATUPVOEY-LLVKDONJSA-N 360.462 1.417 0 40 FDAB CN(C)c1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 19656627 ATVGLQKYGVTZPU-UHFFFAOYSA-N 360.439 1.443 0 40 FDAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C(C)C)C1)C2=O 19699903 ILVCFPSXYGUKPF-AWEZNQCLSA-N 350.463 1.040 0 40 FDAB Cc1ccc2c(c1)cc(C(=O)N1CC(C(=O)N3CCN(C)CC3)C1)n2C 19748669 HADLWOQXLVXGRR-UHFFFAOYSA-N 354.454 1.333 0 40 FDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1=O)S[C@H](C)C2 4107900 XKCFORHLNNZAMP-MNOVXSKESA-N 369.512 1.687 0 40 FDAB CN1CC[C@]2(CCN(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)C2)C1 579305301 FMECEBCPRFRKLQ-SFHVURJKSA-N 358.421 1.848 0 40 FDAB COc1cc(C(=O)N2CCN(c3cnccn3)CC2)cc(OC)c1OC 11544104 CUYZQPRSRJYWMG-UHFFFAOYSA-N 358.398 1.465 0 40 FDAB COC(CNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)OC 5438121 RUWPHEKFVXHBCT-UHFFFAOYSA-N 356.448 1.059 0 40 FDAB Cc1ccc(OCC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 9570918 CVBFHYCZHWDTDJ-UHFFFAOYSA-N 359.336 1.944 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38490380 QYEMGUQXZLFKAM-QWHCGFSZSA-N 374.466 1.578 0 40 FDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cc3cccnc3)CC2)c1=O 575616070 VMXYRHOMTHKGFJ-UHFFFAOYSA-N 369.347 1.402 0 40 FDAB CCn1nnc2c(SCC(=O)Nc3ccc(C(N)=O)cc3)ncnc21 13532227 ZUJIGXGXTQZCRD-UHFFFAOYSA-N 357.399 1.071 0 40 FDAB CCOC(=O)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cs1 40154103 GKNBOPMUGWJQDN-LLVKDONJSA-N 361.489 1.081 0 40 FDAB O=C(OCC(=O)N1CCC2(CC1)OCCO2)C1C2CC3CC(C2)CC1C3 50548527 ISJFVGJAHYZJFS-UHFFFAOYSA-N 363.454 1.967 0 40 FDAB Cn1cccc1C(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100518737 OIDIJSQQJYCMLX-NYYJTOMGSA-N 360.410 1.156 0 40 FDAB COc1ccccc1-n1ccn(CC(=O)Nc2cccc(C)c2)c(=O)c1=O 22725509 QUISSBABCNUUQN-UHFFFAOYSA-N 365.389 1.955 0 40 FDAB Cc1ccc(Cn2c(SCCC(=O)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 850087 NWBNPUXEOUPUBM-UHFFFAOYSA-N 374.422 1.347 0 40 FDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccccn2)CC1 23731364 UBSUQZBKGQIHCM-UHFFFAOYSA-N 353.394 1.866 0 40 FDAB CC(C)(C)NC(=O)CN1CCN(C[C@H](O)COCc2cccs2)CC1 24587879 CKLNYXKCUWSVMZ-HNNXBMFYSA-N 369.531 1.158 0 40 FDAB CCOC(=O)Cc1nnc2c(Nc3ccc(C)cc3)nc3nonc3n12 820937 LIJQIYAPVORAER-UHFFFAOYSA-N 353.342 1.818 0 40 FDAB CN(C)c1nc(N)nc(COC(=O)Cc2csc(-c3ccccc3)n2)n1 25033461 IFLUGFOQAXVWBC-UHFFFAOYSA-N 370.438 1.929 0 40 FDAB CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(S(=O)(=O)NC)c1C 95427223 NWXVPFHXXBEOJS-NSHDSACASA-N 370.475 1.329 0 40 FDAB O=C(NC[C@H]1COCCO1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 55846195 AKYLRBMYMUVOFT-AWEZNQCLSA-N 368.380 1.349 0 40 FDAB COc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@@H]1CS(=O)(=O)C[C@@H]14 1430278 HGRQOINXIAPQCS-WDEREUQCSA-N 363.420 1.330 0 40 FDAB C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@]2(C)[C@@]1(O)C(=O)CO 3982462 GBDXNHBVYAMODG-RABMAFIESA-N 372.461 1.964 0 40 FDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC[C@@H]1COCCO1 56453891 JKXLGTGJOCYOJX-OAHLLOKOSA-N 356.426 1.576 0 40 FDAB O=C(CSc1ncc2ccccn12)NN1C(=O)NC2(CCCCC2)C1=O 26372213 RQLHXKJIWINJET-UHFFFAOYSA-N 373.438 1.712 0 40 FDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 8937958 LAEBJZDKHDCQJB-UHFFFAOYSA-N 359.470 1.979 0 40 FDAB CC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2Cl)CC1 57332425 YWHPYWWUFRZSMM-GFCCVEGCSA-N 365.817 1.446 0 40 FDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(OC)c(OC)c1 58196307 WQBJKGBKYDMWGV-ZDUSSCGKSA-N 350.415 1.319 0 40 FDAB COc1ccc(CCNC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 57363934 TUJUGZZVHAVKLZ-UHFFFAOYSA-N 369.465 1.882 0 40 FDAB Nc1nc(CN2C(=O)NC3(CCCC3)C2=O)nc(Nc2ccc(F)cc2)n1 12568989 XSKCCAINKOYELD-UHFFFAOYSA-N 371.376 1.701 0 40 FDAB CN(C)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 2114809 ZVKUNIULNHUQAG-KRWDZBQOSA-N 368.481 1.950 0 40 FDAB biogenic CC(=O)NCCNC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 29273646 QTUJBDAYHMSQLL-UHFFFAOYSA-N 368.389 1.720 0 40 FDAB O=C(CNC(=O)c1ccccc1)Nc1nc(CN2CCOCC2)cs1 45828210 INZFFJRKQQTTPX-UHFFFAOYSA-N 360.439 1.344 0 40 FDAB O=C(NCc1ccccn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29517528 MMAMQBIAWQXOKV-CVEARBPZSA-N 359.426 1.680 0 40 FDAB CCOc1c(Cl)cc(C(=O)NCCNS(C)(=O)=O)cc1OC 29678159 OONMLBSSHBQAJD-UHFFFAOYSA-N 350.824 1.026 0 40 FDAB Cc1c2c(=O)n(-c3ccc(F)cc3)nc-2cc(O)n1CCN1CCOCC1 102492432 QAYZYQFJRRXYNY-UHFFFAOYSA-N 372.400 1.624 0 40 FDAB O=C(c1cccnc1)N1CC[C@@H](c2nc(O)cc(-c3cccnc3O)n2)C1 100745125 JLFZUEYJXKEHOP-CYBMUJFWSA-N 363.377 1.975 0 40 FDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)nn12 37330595 YMYCVSDVJZMKEV-SCUASFONSA-N 359.430 1.919 0 40 FDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100506344 BZCKFAMFKFJLMX-MWDDYTRKSA-N 368.389 1.609 0 40 FDAB CC(C)NC(=O)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101454709 KFPIXVRROZGOFL-QGZVFWFLSA-N 351.406 1.915 0 40 FDAB CC1CCN(C(=O)[C@@H](C)OC(=O)CCN2C(=O)COc3ccccc32)CC1 12743586 GJZZDNZYIKUYIC-OAHLLOKOSA-N 374.437 1.992 0 40 FDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1cscn1)C2=O 48356048 KNNHWDAEDYVSFD-BZNIZROVSA-N 350.444 1.602 0 40 FDAB Cc1ccc(-c2nc(COC(=O)CCNC(=O)c3cnccn3)no2)cc1 48302763 JHMJSEWQMIDKFU-UHFFFAOYSA-N 367.365 1.698 0 40 FDAB O=C(CNC(=O)Cc1cccc(F)c1)NCCC(=O)Nc1ccccn1 48367850 NLLOHZSNKPWUHM-UHFFFAOYSA-N 358.373 1.024 0 40 FDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C/C=C/c1ccccc1 62720454 BUEUMGXJXDELIO-VMPITWQZSA-N 361.199 1.899 0 40 FDAB CCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 12901343 ADBHUGGPGVLGKO-AWEZNQCLSA-N 374.466 1.859 0 40 FDAB CC(C)(C)c1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 13001792 QSEIONPHSJKGAF-UHFFFAOYSA-N 374.528 1.686 0 40 FDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1(c2ccccc2)CC1 14095774 DCIKDCVHYMYXJQ-UHFFFAOYSA-N 363.417 1.928 0 40 FDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCCOC(C)C 408556171 CLUWLOOHCOXTLY-CQSZACIVSA-N 372.487 1.602 0 40 FDAB O=c1[nH]c(CSc2nnnn2C[C@H]2CCCO2)nc2ccsc12 9548622 CRORZODVSSUPBT-MRVPVSSYSA-N 350.429 1.442 0 40 FDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(=O)NC2CC2)C1=O 9578776 UASSEKHRBLHTAZ-MRXNPFEDSA-N 364.789 1.095 0 40 FDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 7479008 SAOKMNVOSWSLLL-IBGZPJMESA-N 354.410 1.547 0 40 FDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccco3)cc2)C1=O 15843069 JRUCJMRIGWMMIK-UHFFFAOYSA-N 362.407 1.912 0 40 FDAB COc1ccc(-c2nnc(CN(C)C(=O)N3CCOCC3)o2)cc1OC 408714927 YQHRJZXLHRXGAO-UHFFFAOYSA-N 362.386 1.638 0 40 FDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 8503813 FGTMJDJNFSIQAM-VIFPVBQESA-N 362.411 1.432 0 40 FDAB COc1ccccc1OCCNC(=O)Cn1cnc2ccccc2c1=O 18223365 XTHZJHXTKJADNY-UHFFFAOYSA-N 353.378 1.600 0 40 FDAB CCOc1ncccc1C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 8935490 BDUXOCXIGJVABJ-UHFFFAOYSA-N 363.439 1.460 0 40 FDAB Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 28226841 SZZVETTXZBWLIM-UHFFFAOYSA-N 362.333 1.016 0 40 FDAB COC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 8937001 QXYWYZNZCGNCDY-ZDUSSCGKSA-N 368.455 1.073 0 40 FDAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 71279448 VEPVARCWQVAIKZ-VXGBXAGGSA-N 363.443 1.717 0 40 FDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 67849226 CFYIQDBZMOMUSX-CQSZACIVSA-N 372.421 1.865 0 40 FDAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944789 YBTCEFCLFGKYJV-LBPRGKRZSA-N 369.468 1.959 0 40 FDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[C@@H](O)C(C)C 76022709 FRDBKYQFIOCBSS-ZBFHGGJFSA-N 374.478 1.652 0 40 FDAB CN(C(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12)c1ccc(N2CCOCC2)nc1 515001632 WSNMUCKNLPWDFS-HQHMLRRESA-N 365.433 1.208 0 40 FDAB CCN1CCC[C@@H]1CNC(=O)CSc1ccc2nnc(C(C)C)n2n1 524735046 QLEKZNJPOBMIKM-CYBMUJFWSA-N 362.503 1.940 0 40 FDAB Cc1c(C)[n+]([O-])c([C@H](C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CC=CCC2)n1C 524734100 XCSXZLOFSVASSJ-KGLIPLIRSA-N 374.441 1.382 0 40 FDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@]1(CO)COc2ccccc2C1 529819227 ICSKALMTXJJWPO-YHJVDBJQSA-N 355.390 1.697 0 40 FDAB CNC(=O)[C@@]1(CCCc2cccc(Br)n2)CCN1C(C)=O 72350892 OLZHJYNKSDVQOV-OAHLLOKOSA-N 354.248 1.904 0 40 FDAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2cccc(C)c2C)s1 223970379 XZCVXVCOHAQCKY-UHFFFAOYSA-N 370.456 1.471 0 40 FDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(-n3ccnn3)cc1)CC2 89832306 PUSLKPRZQXDDCT-IAGOWNOFSA-N 356.426 1.659 0 40 FDAB CCC(C)(C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225855754 XEEGRUDNRKSIJU-UHFFFAOYSA-N 354.428 1.816 0 40 FDAB O=C1NC(=O)C2(CCN(C(=O)COc3ccc(F)cc3Cl)CC2)N1 40023686 KPAMJZLCVAQROG-UHFFFAOYSA-N 355.753 1.059 0 40 FDAB Cc1ccc(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)o1 223243035 ZHBQIYNIFWXSEK-ZWKOTPCHSA-N 360.385 1.984 0 40 FDAB Cc1ccc([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C)C2)cc1 575937000 NKOZQLFEKGRPDG-HIFRSBDPSA-N 363.487 1.728 0 40 FDAB Cc1ccc(CN2CC[C@@H]3CN(S(=O)(=O)C4CC4)CCO[C@@H]3C2)o1 96249838 KNDDFBFNQWIUAK-RHSMWYFYSA-N 354.472 1.603 0 40 FDAB CN1CCN(CC2CC2)C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 96230283 GRTONTMXJWTTAY-UHFFFAOYSA-N 371.481 1.934 0 40 FDAB CC(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251263 AZLXIUSPKKFCFY-JXFKEZNVSA-N 358.486 1.871 0 40 FDAB O=C(O)[C@]12CCCN(c3ncccn3)C[C@H]1CN(Cc1cccnc1)C2 96185208 FLNUUHNOFIVCRY-APWZRJJASA-N 353.426 1.675 0 40 FDAB O=C(N1CCOCC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215861 AXGANNOOWOWRES-QGZVFWFLSA-N 350.488 1.883 0 40 FDAB CO[C@H]1CCN(C(=O)c2cscn2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96209027 XYKWAVJVINYTHK-UAGQMJEPSA-N 358.467 1.900 0 40 FDAB Cc1nsc(NC2CC2)c1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 581146173 PNFMSYALZIGPTF-JTQLQIEISA-N 358.489 1.167 0 40 FDAB COCCNC(=O)[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 247834720 ISRALRAEVZUKFX-MRXNPFEDSA-N 366.824 1.995 0 40 FDAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cc[nH]n4)OCC[C@@]31C2 257328261 XEWIYMYEOOGWOX-ODBZRCMLSA-N 374.485 1.876 0 40 FDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3ccccc3F)C2)ncn1 257288017 PSLQRGZBSQVEKX-LJQANCHMSA-N 358.417 1.566 0 40 FDAB O=C(C1CCNCC1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257277469 NYCOMGIXTNIJLO-KRWDZBQOSA-N 359.461 1.461 0 40 FDAB CNC(=O)c1cnn2c([C@H]3CCCN(c4cc(C)ncn4)C3)ccnc12 257276864 NVKKOIUBCXTICU-ZDUSSCGKSA-N 351.414 1.571 0 40 FDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3cccc4cccnc34)C2)CC1 257240764 HVCJDYZBMCOSEC-FQEVSTJZSA-N 354.454 1.059 0 40 FDAB C[C@H](N1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1)C(F)(F)F 267407143 JXFKYUMRHWVNNX-LBPRGKRZSA-N 353.348 1.976 0 40 FDAB NC(=O)c1cnn2c1C[C@@H](CNC(=O)[C@@H]1CCCc3c(O)cccc31)CC2 277645386 XOXIIQNUEWFYBV-SWLSCSKDSA-N 368.437 1.486 0 40 FDAB C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CN)C1)c1nnc2n1CCCC2 627001513 GESCBKHRHKKKJO-SRVKXCTJSA-N 374.411 1.844 0 40 FDAB Cc1cccc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c1Br 644004781 VRZLUTHKJCZOPK-OAHLLOKOSA-N 355.232 1.600 0 40 FDAB Cc1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298096141 OVHRWTBCATVDCD-DSIZOQBWSA-N 368.389 1.284 0 40 FDAB Cc1cccc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)n1 96105214 XZJFWBWGKFYOFL-UHFFFAOYSA-N 364.413 1.616 0 40 FDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(OC)cc3)C2)OC1 585104462 IVUIAPRXOHZXFY-MRXNPFEDSA-N 368.499 1.616 0 40 FDAB Cc1snnc1C(=O)N1CC[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 585106949 LUZBKNNBBROUIG-KSSFIOAISA-N 356.451 1.935 0 40 FDAB O=C(CN1CCO[C@](CO)(Cc2cccc(F)c2)C1)Nc1ccccn1 585278319 RVMMTOIURYEWMV-LJQANCHMSA-N 359.401 1.465 0 40 FDAB Cc1cc(C)n(CCNC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)n1 85472514 PYZIHROSZFCWEO-HNNXBMFYSA-N 362.455 1.105 0 40 FDAB Cc1c([C@@H]2[C@@H](C(=O)N3CCCc4occc4C3)CC(=O)N2C)cnn1C 685211565 DBFLTBMWXIEYFO-KSSFIOAISA-N 356.426 1.816 0 40 FDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 43496846 YNUDCMIOFMKGMT-UHFFFAOYSA-N 371.422 1.444 0 40 FDAB CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1=C(C)OCCS1(=O)=O 1632697565 RDPRWULPMQMKQZ-YGRLFVJLSA-N 357.403 1.694 0 40 FDAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCSC3=O)CC2)c(F)c1 11008193 CRWNDSHPVFQXHY-UHFFFAOYSA-N 365.430 1.846 0 40 FDAB C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 5223485 XOFYZVNMUHMLCC-GGMGRWIBSA-N 358.434 1.766 0 40 FDAB CC(=O)Nc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N2CCOCC2)cc1 5860828 NPEXNYXCQOJUQJ-MRXNPFEDSA-N 374.466 1.297 0 40 FDAB Cc1cnc(C(=O)N2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cn1 12132627 PWTZPUIKSRIFQH-CYBMUJFWSA-N 360.439 1.603 0 40 FDAB CC(C)OC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12220251 REBHLZYRRAYIGP-UHFFFAOYSA-N 359.426 1.175 0 40 FDAB COc1ccc(C2(O)CCN(CCNC(=O)c3ccncc3)CC2)cc1 12326331 WPNDSQMIXMCPCD-UHFFFAOYSA-N 355.438 1.804 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 12391905 PLIJVEZUKJQKOJ-SJLPKXTDSA-N 366.417 1.940 0 40 FDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc3[nH]cnc3c2)cc1 19662477 VTDWBVBXUFUHJO-UHFFFAOYSA-N 372.450 1.672 0 40 FDAB Cc1ccnn1CCC(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585917 BZXQMASEPVHUDE-QWFCFKBJSA-N 355.438 1.728 0 40 FDAB Cc1nc2c(c(N3CCN(c4ccnc(N5CCCC5)n4)CC3)n1)CCC2 1889108585 YVUZDLUUFYXJKI-UHFFFAOYSA-N 365.485 1.991 0 40 FDAB COc1cccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)c1OC 2037971302 ZZTJYRBDEPNMKC-KVPLUYHFSA-N 373.449 1.213 0 40 FDAB COc1ncc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cn1 2037980624 BFQFXPPWTKMQLJ-UHFFFAOYSA-N 367.453 1.952 0 40 FDAB CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479154 PKQTUAGOLPFGDZ-CQSZACIVSA-N 373.800 1.454 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 4785201 RDLRVEBACNLRHC-SNVBAGLBSA-N 356.429 1.540 0 40 FDAB Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)cc1 33249871 HXMWKFHCCACRBA-UHFFFAOYSA-N 365.436 1.616 0 40 FDAB COc1ncc(C(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)cn1 575614963 ANLHKVRVGORXMM-CQSZACIVSA-N 365.393 1.672 0 40 FDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccc(OC)c1 4314889 KEXBIGFVSSZNMX-CQSZACIVSA-N 356.378 1.950 0 40 FDAB Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3nccnc23)cc1 22735918 RVKPUPHSBHIWRW-UHFFFAOYSA-N 365.441 1.586 0 40 FDAB O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@@H](O)c2cccs2)CC1 28965985 ASKJDMPGLHZYMB-CQSZACIVSA-N 360.435 1.968 0 40 FDAB Cc1csc(=O)n1CC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 40001116 QELKOPSADACNGD-ZDUSSCGKSA-N 357.439 1.667 0 40 FDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 40154101 SEYFFVIKSDYOHV-ZIAGYGMSSA-N 371.507 1.052 0 40 FDAB Cn1ncc2c(N3CCN(C[C@@H](O)c4ccc(F)c(F)c4)CC3)ncnc21 51288005 MLUHBOMPCFYCQM-MRXNPFEDSA-N 374.395 1.497 0 40 FDAB O=c1c(NCc2ccncc2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101707923 MPWJNKUWSGYOKJ-UHFFFAOYSA-N 366.396 1.755 0 40 FDAB O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CC(=O)N(C2CC2)C1 32817407 SRMNHLFMQPJGKM-NSHDSACASA-N 357.332 1.650 0 40 FDAB CC(=O)c1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 32907370 AGTBDSCPTJIPRI-AEFFLSMTSA-N 361.442 1.748 0 40 FDAB Cc1nn(CCC(=O)N[C@@H](C)CN2CCOCC2)c(C)c1Br 22289114 XTGUXCJSCGDLNM-NSHDSACASA-N 373.295 1.489 0 40 FDAB NC(=O)CSc1ccccc1NCC(=O)NC(=O)NCc1ccccc1 12522884 ILGOICBTXIXGHS-UHFFFAOYSA-N 372.450 1.702 0 40 FDAB Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCCC1 1325489 BFFPTVDFGBIYNM-UHFFFAOYSA-N 360.439 1.849 0 40 FDAB O=C1OC[C@@]2(C(=O)OCc3ccccc3)C(=O)C(=O)N(C3CCCCC3)[C@@H]12 1714901 OIUSZHXYFDKCQE-YWZLYKJASA-N 371.389 1.386 0 40 FDAB Cc1c([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)cnn1C 25004595 PAMWJXJFCPBVPM-RYUDHWBXSA-N 354.414 1.244 0 40 FDAB C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 3881944 VHRSUDSXCMQTMA-NMXVXXMGSA-N 374.477 1.804 0 40 FDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccc(Cl)cc3)nnc12 1409205 UYPOIBTVKZVNEJ-UHFFFAOYSA-N 360.761 1.789 0 40 FDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc2c(c1)OCO2 1466699 GHSUHQIKRPYKIU-UHFFFAOYSA-N 352.346 1.718 0 40 FDAB OC[C@@H]1O[C@@H](n2ccc3c(SCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 4775769 XAYGKALBZYZZRV-JTOWHCCKSA-N 373.434 1.335 0 40 FDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 57486033 WSIBSWKUSFPPQG-GFCCVEGCSA-N 365.455 1.176 0 40 FDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 35511018 NHXQOMHIHZBLSW-UHFFFAOYSA-N 361.423 1.364 0 40 FDAB O=C(CSc1nnc(N2CCOCC2)s1)NCc1cccs1 58167673 UNGGAERNIVOLAK-UHFFFAOYSA-N 356.498 1.845 0 40 FDAB CC1CCN([C@H](C)CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 58209754 FEMRYLQBBHSZKE-OAHLLOKOSA-N 372.469 1.317 0 40 FDAB CCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209614 KRDQOXFNLXLTNK-ZFWWWQNUSA-N 352.456 1.980 0 40 FDAB O=C(CN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1)NC1CC1 12688688 VIROYADLVLQHHW-UHFFFAOYSA-N 355.482 1.531 0 40 FDAB CS(=O)(=O)Cc1ccccc1N/C=C1/C(=O)NC(=O)c2ccccc21 58469059 HPEBZYSLHVIQBU-XNTDXEJSSA-N 356.403 1.954 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58442684 JRBGJAWRVZLDPM-UHFFFAOYSA-N 355.369 1.878 0 40 FDAB COc1ccc(OCCN2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 36392161 DFFPOYXKXHWVJQ-UHFFFAOYSA-N 369.487 1.032 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCCCO2 103061667 IKFYHIOQTGFGHI-KBPBESRZSA-N 356.378 1.738 0 40 FDAB CNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 36812044 NPKOIYOKAKVENZ-ZETCQYMHSA-N 365.484 1.946 0 40 FDAB CCOC(=O)N(C)CC(=O)N(CC)CC(=O)Nc1c(F)cccc1F 48191755 TVMZOGUFXQBURT-UHFFFAOYSA-N 357.357 1.840 0 40 FDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2cccc(Cl)c2)C1 47023895 NOGCXJWBOBHMFJ-GFCCVEGCSA-N 360.863 1.507 0 40 FDAB NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3322840 DJUVPAKZHVHCFA-UHFFFAOYSA-N 360.391 1.080 0 40 FDAB O=C(CCN1C(=O)CCC1=O)NCCc1ccc(F)c(Br)c1 48368256 MOEQGANZSGWIEM-UHFFFAOYSA-N 371.206 1.786 0 40 FDAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3407085 KVNZRCQGNSFLSY-UHFFFAOYSA-N 366.464 1.699 0 40 FDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1[C@@H](C)CCC[C@@H]1C 23989844 MHFLYXDPHGDICG-STQMWFEESA-N 372.473 1.258 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12920454 JZVKDKTUMAOGIB-LLVKDONJSA-N 356.382 1.362 0 40 FDAB Cn1ncc2c(N3CCN(Cn4c(=O)oc5ccccc54)CC3)ncnc21 12984679 OFSILBDWUMNZGB-UHFFFAOYSA-N 365.397 1.051 0 40 FDAB Cc1ccc(NC(=O)CCCCCNC(N)=O)cc1S(=O)(=O)N(C)C 12975571 DQKPHTYVBIRNBB-UHFFFAOYSA-N 370.475 1.413 0 40 FDAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCCC1=CCCCC1 72400765 WXHGHYFWLQXJJJ-UHFFFAOYSA-N 372.473 1.315 0 40 FDAB COC(=O)C1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 20050154 ANDFTLVZQLQBCE-UHFFFAOYSA-N 374.846 1.737 0 40 FDAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 4614355 QXXGRRCUIHQHMT-KPKJPENVSA-N 364.379 1.150 0 40 FDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC[C@@H]1COCCO1 95365205 UJRSCXLUSABVLY-GOSISDBHSA-N 354.406 1.615 0 40 FDAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccccc3C)n2N)n1 7530201 ZFTLRCZXQXKCAN-UHFFFAOYSA-N 357.443 1.834 0 40 FDAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8109242 AFBOAKUMPZYVRP-CYBMUJFWSA-N 358.847 1.352 0 40 FDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 8185906 UUKKPCKQSUSRPU-AWEZNQCLSA-N 372.454 1.581 0 40 FDAB Cc1nc(CCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 83996368 YWKRVWGRMHNUEG-UHFFFAOYSA-N 363.421 1.869 0 40 FDAB CCNC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 8746831 RRCDCDDXEDBYNX-CYBMUJFWSA-N 361.471 1.721 0 40 FDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(OC)cc3)nn2c1=O 9088335 XIMRAYVYHKAVDE-UHFFFAOYSA-N 357.370 1.062 0 40 FDAB O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1CCCN(C(=O)C2CC2)C1 72306539 WIOQJLRPZDKRGL-MRXNPFEDSA-N 350.459 1.685 0 40 FDAB Cc1ccc(S(N)(=O)=O)c(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c1 89611965 MCSCSOJDWQDIAG-CYBMUJFWSA-N 368.455 1.590 0 40 FDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 22624612 APVQUTJODYDDJN-CHWSQXEVSA-N 358.435 1.378 0 40 FDAB CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)cc1 409305765 OBCUXUCCZMJTDA-NNFUDEMPSA-N 357.362 1.461 0 40 FDAB C[C@@H]1c2nc(C(=O)NCC3CCC3)cn2CCN1c1ccc2nncn2n1 306142875 XNCFFTFKIGMUSI-GFCCVEGCSA-N 366.429 1.432 0 40 FDAB CSCC[C@@H]1NC(=S)N(CCNC(=O)c2ccc(Cl)cc2)C1=O 32778526 VNSOCDYFFXGAIQ-LBPRGKRZSA-N 371.915 1.908 0 40 FDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)COc4ccccc4)C3)ccc2n1 557100739 QCXHWLFXLJSQMZ-OAHLLOKOSA-N 351.410 2.130 0 40 FDAB Cc1ccc(N2CCCN(C(=O)[C@@]3(c4ccccc4)CCNC3)CC2)nn1 564827394 KJIVEEKRVFNKOA-NRFANRHFSA-N 365.481 1.755 0 40 FDAB COC(=O)c1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc1C 79485230 JPDMSFCDXWJEIU-NSHDSACASA-N 361.427 1.883 0 40 FDAB CC(C)OCCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223920489 UNUBKJBZNXLOHW-UHFFFAOYSA-N 350.466 1.226 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCCO)ccc32)cc1 223380578 BVSSLODVPZNJCB-UHFFFAOYSA-N 374.462 1.859 0 40 FDAB CC(C)N1[C@@H]2CN(Cc3ccncc3)C[C@@H]2C[C@@H]1C(=O)NCCN(C)C 96064518 USEACMFJEDYUCQ-IPMKNSEASA-N 359.518 1.043 0 40 FDAB Cc1cccc(CN2CCO[C@]3(COCCN(c4cccnc4)C3)C2)n1 96229459 QTONPQDBRYUOHR-HXUWFJFHSA-N 354.454 1.893 0 40 FDAB CC(C)C(=O)N1CC2(CN(CCc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514288480 BDSRDVRTBQYXNU-RTBURBONSA-N 357.498 1.217 0 40 FDAB biogenic,in-vitro COC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 146395629 XPGHHALICCIICF-UHFFFAOYSA-N 367.354 1.820 0 40 FDAB Cn1cc(CN2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)cn1 96187720 ZJLZZDPJJHZWIK-SFHVURJKSA-N 352.442 1.865 0 40 FDAB COc1ccccc1[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)OC 96385067 IRCFMUSGYYQUPD-HNNXBMFYSA-N 353.444 1.712 0 40 FDAB O=C(c1ccnnc1)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061760 YFGNXHBDAZKXMI-GQIGUUNPSA-N 361.405 1.274 0 40 FDAB CC(=O)N1CCO[C@@H](c2nccc(CNC(=O)c3cccc(F)c3)n2)C1 257204409 AUKMITJGDVEKAL-MRXNPFEDSA-N 358.373 1.466 0 40 FDAB COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(O)c32)cc1 585655823 WBNWLXRTWHGYMQ-ZDUSSCGKSA-N 356.382 1.502 0 40 FDAB CCn1nccc1-c1nccnc1C[C@@H]1CCN(S(=O)(=O)N(C)C)C1 257300905 RWDUWMFDIABTNT-ZDUSSCGKSA-N 364.475 1.031 0 40 FDAB CC(C)c1nc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc2[nH]1 257312253 UNAQUAIZYQYSTE-KBAYOESNSA-N 372.469 1.640 0 40 FDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 257279883 OINVOLOBGXFWCU-CYBMUJFWSA-N 364.475 1.171 0 40 FDAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H](O)C(F)(F)F 270785562 FDUABYJWVBHRJP-ZWNOBZJWSA-N 369.361 1.828 0 40 FDAB Cc1cc(NC(=O)Cn2ccc(O)nc2=O)cnc1N1CCCC[C@H]1C 272610869 UOGQFKCLIXCLMP-CYBMUJFWSA-N 357.414 1.670 0 40 FDAB Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1cn(Cc2ccccc2)nn1 623087226 GHWWQNHZPQDVPH-GDBMZVCRSA-N 367.413 1.712 0 40 FDAB C[C@H](C(=O)N[C@H](C(N)=O)c1ccc(F)cc1)n1ccc(C(F)(F)F)n1 632489402 JLXORSDGABKQMY-PELKAZGASA-N 358.295 1.945 0 40 FDAB CC1(C)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)c2ncco2)C1=O 655386783 LDKYDJLCVSSZKU-ZDUSSCGKSA-N 356.382 1.405 0 40 FDAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)N2CCCC2)CC1 96096695 RXXYUKRVGDNAJN-UHFFFAOYSA-N 371.528 1.459 0 40 FDAB O=C(NCCOCCN1C(=O)CCC1=O)c1ccccc1Br 575620170 QPFXEIHPYMOGIS-UHFFFAOYSA-N 369.215 1.345 0 40 FDAB Cc1cncc(CN2CCn3c(COc4ccccn4)nnc3[C@H]2C)n1 585097346 KHZINMHUDPOGBX-CQSZACIVSA-N 351.414 1.927 0 40 FDAB Cc1noc(C)c1CN1C[C@]2(COCCN(c3cnccn3)C2)CC1=O 585104407 LVRUBDCETRCLAK-SFHVURJKSA-N 357.414 1.337 0 40 FDAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 585113081 ZCKXUBASDQEJRW-ZENOOKHLSA-N 361.442 1.856 0 40 FDAB Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CCN([C@H]2CCOC2)CC1 585091367 ZEUYVEGVWNBWIV-SNRMKQJTSA-N 365.497 1.175 0 40 FDAB O=C(NCc1ccncc1O[C@H]1CCNC1)c1ncc2c(F)cccn12 685941244 VOHZMPFBIJPVTP-ZDUSSCGKSA-N 355.373 1.539 0 40 FDAB O=C(NCC(F)(F)F)[C@@H]1CSCN1S(=O)(=O)c1cccs1 46814004 MMFPSWUMNKPTKN-ZETCQYMHSA-N 360.404 1.490 0 40 FDAB O=C(Cc1ccon1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 76321767 GLAMRYFZQLTTTD-QGZVFWFLSA-N 369.469 1.673 0 40 FDAB Cc1ncsc1CN1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 1615159555 WUFBIQVNUJRDNG-HZPDHXFCSA-N 356.451 1.923 0 40 FDAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cnn(C)c1)CC3 12185596 HSEFZCYVERUXOW-UHFFFAOYSA-N 369.425 1.206 0 40 FDAB C[C@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCCC1=O 19078471 WGFKMBXDERKSHB-HUUCEWRRSA-N 371.485 1.181 0 40 FDAB CCCC(=O)N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 19228709 SZEUAESLXOLMRD-CBAPKCEASA-N 351.683 1.376 0 40 FDAB COc1ccc(N2C[C@H](C(=O)N(C)Cc3nonc3C)CC2=O)c(OC)c1 19559079 WHLDXVLDPBDJJL-GFCCVEGCSA-N 374.397 1.407 0 40 FDAB CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)N1CCCCC1)CC2 19711551 PBVUIQZGTYNXEM-MRXNPFEDSA-N 358.490 1.313 0 40 FDAB CS(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2cccc(Cl)c2Cl)C1 572729251 VMQMKTCQOXFTCR-UFBFGSQYSA-N 367.254 1.743 0 40 FDAB CC(C)(C)OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 5936176 NWDXZZCFMYWNPP-UHFFFAOYSA-N 369.439 1.970 0 40 FDAB COc1ccc2c(=O)n(CC3CCN(Cc4nnco4)CC3)cnc2c1 1848669577 CXZMWPUDJDOWFI-UHFFFAOYSA-N 355.398 1.700 0 40 FDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccc(=O)n(C)n2)C3)nc1 1888869869 QRPQPMORYKARHZ-KUHUBIRLSA-N 369.425 1.200 0 40 FDAB Cc1nc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c2cnn(C)c2n1 1888890495 KOLPWCYCQZYQHY-GASCZTMLSA-N 362.393 1.298 0 40 FDAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3cnn(-c4ccccc4)n3)C2)nn1 1888901221 YIHNUYFRSBQUGE-OAHLLOKOSA-N 364.409 1.907 0 40 FDAB COCCOc1cc(C(=O)NCc2nncn2-c2ccc(F)cc2)ccn1 240122477 VZSAOLTZWAGOKV-UHFFFAOYSA-N 371.372 1.757 0 40 FDAB CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3ccc(C)cc3)CCO2)n1 2037716147 BYBXDNFCVWBTOX-KRWDZBQOSA-N 354.410 1.635 0 40 FDAB O=C(CN1CCCC1)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984705 KZKPTKHWSPMNKS-NRFANRHFSA-N 371.481 1.897 0 40 FDAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1 9122494 NOUUYFKLCQYTCS-UHFFFAOYSA-N 361.427 1.046 0 40 FDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccc(C)cc2)C1 2055772054 SZMYGLSUOCBNHM-LJQANCHMSA-N 356.426 1.334 0 40 FDAB O=C1C[C@H](CN2C(=O)NC3(CCCC3)C2=O)CN1CCc1ccccc1 2298048602 GIQUQDUOFPFYJD-INIZCTEOSA-N 355.438 1.942 0 40 FDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@](O)(c1cccs1)C1CC1 75155338 MYIFDWIDPXFGHS-GOSISDBHSA-N 362.426 1.917 0 40 FDAB Cn1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 20614102 LHULYKNDDNBFOU-UHFFFAOYSA-N 354.863 1.580 0 40 FDAB CC(C)[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 32768675 VOJRFVPMQOTHLL-CJNGLKHVSA-N 353.440 1.706 0 40 FDAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 52919493 KHIXUWRDBYCZIO-UHFFFAOYSA-N 361.423 1.725 0 40 FDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](O)C1 22738099 FDGYOJUAZVHWRT-CQSZACIVSA-N 364.423 1.355 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C1 22928648 XQNGIUOOUHAKQI-HNNXBMFYSA-N 353.440 1.647 0 40 FDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NN4CCOCC4)ccc1c23 956875 NZYFBGCTGJLMRK-UHFFFAOYSA-N 361.423 1.345 0 40 FDAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 42669174 IDUPEKIGWIVZHG-CQSZACIVSA-N 356.419 1.146 0 40 FDAB O=S(=O)(c1ccc(NCc2cc(F)cc(F)c2)nc1)N1CCOCC1 105942943 NISKVGNZPITCBN-UHFFFAOYSA-N 369.393 1.993 0 40 FDAB Cc1cc(C)n(CCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 25449042 PDKRZZXYWCGUPK-UHFFFAOYSA-N 353.426 1.496 0 40 FDAB CCc1nnc2c(N3CCN(c4ncccn4)CC3)nc3ccccc3n12 7504126 JQTALFOYRNGDIU-UHFFFAOYSA-N 360.425 1.957 0 40 FDAB CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C 8706146 CQQHVJQJCKXYCI-UHFFFAOYSA-N 366.425 1.469 0 40 FDAB O=C(Cc1ccc(-n2cnnn2)cc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 58247799 QQAYDWKOGLGLOP-HDICACEKSA-N 371.441 1.391 0 40 FDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@H]4[C@H]2[C@H]2C([C@H]21)C34c1ccccc1 104284696 OJBCEBJEDIRAOB-DPRFIBGSSA-N 355.397 1.970 0 40 FDAB Cc1nc(/C=C/C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)cs1 12272830 VSMKMTHRKQTRFP-ONEGZZNKSA-N 373.438 1.147 0 40 FDAB COCCn1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)ccc1=O 47305448 GZBIANMOWFXJBH-KRWDZBQOSA-N 360.385 1.848 0 40 FDAB c1ccc(CN2CCOC[C@]3(C[C@@H](CNc4ncccn4)CO3)C2)nc1 107243638 UJIVQZOAGQGYIW-LPHOPBHVSA-N 355.442 1.591 0 40 FDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)CCN1 12795214 HCSINJGRUNYLCZ-UHFFFAOYSA-N 359.407 1.059 0 40 FDAB CC(=O)NCC1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 48357313 JCVVBYQKBIBCLR-UHFFFAOYSA-N 359.426 1.325 0 40 FDAB Cc1ccnc2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)nn12 9115144 XKCWOIJBXKUDIY-UHFFFAOYSA-N 361.365 1.650 0 40 FDAB CCN1CCC[C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 63852626 SMNHVEXFVMFMMH-HNNXBMFYSA-N 365.499 1.688 0 40 FDAB CCN1CCN(Cc2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)CC1 23248698 DOQQOUCAGGNNRK-UHFFFAOYSA-N 350.444 1.217 0 40 FDAB O=C(CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)NC1CC1 14169574 QOEMXRZIAHPWAS-UHFFFAOYSA-N 368.481 1.913 0 40 FDAB COc1ncccc1CN1CCOC[C@H](CC(=O)N2CC(F)(F)C2)[C@H]1C 306127157 FPWDDRCKBBFNSU-HIFRSBDPSA-N 369.412 1.795 0 40 FDAB CCOC(=O)/C=C/C(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O 4698678 BKGUCKKBKALPIV-AATRIKPKSA-N 355.441 1.396 0 40 FDAB CCOC(=O)N1CCN(C(=O)CSc2ccc3c(c2)OCCO3)CC1 6916377 CTJVTVIKEXPKFT-UHFFFAOYSA-N 366.439 1.851 0 40 FDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67626784 QAHKNRMVVGAJLP-RBSFLKMASA-N 361.508 1.305 0 40 FDAB CC(C)CCNc1nc(C(=O)OCC(=O)NC(=O)NC(C)C)cs1 7353044 XRHWKPBZHIVGHT-UHFFFAOYSA-N 356.448 1.992 0 40 FDAB Cc1ccc(F)cc1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8281339 HPZGOGIPYUVWNF-UHFFFAOYSA-N 373.388 1.300 0 40 FDAB Cc1cccc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 8280957 PSUXOMQLONMQJA-UHFFFAOYSA-N 355.398 1.161 0 40 FDAB CC(=O)N1CCN(C(=O)CSc2nccn2-c2ccccc2C)CC1 8342635 LMOUPHDCVRFSKA-UHFFFAOYSA-N 358.467 1.964 0 40 FDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 8314068 YOMIGZOWLAWMMJ-RHSMWYFYSA-N 370.446 1.274 0 40 FDAB Cc1ccn2c(=O)cc(CN(C)S(=O)(=O)c3c(C)noc3C)nc2c1 17480815 WORQCOWZOUWCOO-UHFFFAOYSA-N 362.411 1.428 0 40 FDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCO2 9606783 IHYKRGFNAHDTJV-UHFFFAOYSA-N 359.382 1.999 0 40 FDAB COCCN1CC[C@H](NC(=O)NC(C)C)c2ccccc2S1(=O)=O 306136956 QHKKSWUJTQYBDJ-AWEZNQCLSA-N 355.460 1.476 0 40 FDAB COC[C@@](C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 84775668 PZIHVDGCHGGSDT-QGZVFWFLSA-N 366.439 1.620 0 40 FDAB Cc1cc(C)n2nc(CCCOC(=O)c3ccc4nnc(C)n4c3)nc2n1 89595973 VMJDXQYKNIMPSM-UHFFFAOYSA-N 365.397 1.882 0 40 FDAB CCOc1cccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 20456454 INMYELJIVYYYRX-UHFFFAOYSA-N 374.418 1.546 0 40 FDAB COc1ncccc1CN1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306128705 HIRFCCJVLODCPM-OAHLLOKOSA-N 365.441 1.821 0 40 FDAB COc1ccc(CN2CCO[C@]3(CN(C)C[C@H]3c3cccnc3)C2=O)cc1 306135963 PFESAZDELHOKKL-FPOVZHCZSA-N 367.449 1.917 0 40 FDAB O=C([C@H]1CCc2nnc([C@H]3CCN(c4ncccn4)C3)n2C1)N1CCCC1 306140480 UUQQUPCSWJUNQZ-GJZGRUSLSA-N 367.457 1.247 0 40 FDAB Nc1ccc2c(N3CCC[C@H](CNC(=O)c4ccco4)C3)ncnc2n1 509477542 HICWTIYJDWOXKL-GFCCVEGCSA-N 352.398 1.846 0 40 FDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N(C)Cc3ccnn3C)c12 36618981 WPJRARNCZFPNFX-UHFFFAOYSA-N 365.397 1.937 0 40 FDAB O=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1cccs1 56997660 SOFJEUKKHAHODZ-UHFFFAOYSA-N 369.487 1.988 0 40 FDAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCc1ccc2c(c1)OCO2 72326288 MUYFLQOTVQAXMJ-CQSZACIVSA-N 367.361 1.822 0 40 FDAB biogenic CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 70708968 JDSDKYQAIKTDHE-UHFFFAOYSA-N 371.890 1.512 0 40 FDAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3ccccc3)c2)N2N=CNC2=N1 38198670 OWIXTJCHADZLEY-INIZCTEOSA-N 363.377 1.880 0 40 FDAB NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 40399595 FIENMTNOIMKDJV-LURJTMIESA-N 368.180 1.731 0 40 FDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1 224432080 XMLTUKJISFCFQM-UHFFFAOYSA-N 365.480 1.740 0 40 FDAB Cn1cc(CN2CC[C@@]3(C[C@@H](NC(=O)c4ccncc4)CCO3)C2)cn1 96206401 CWUCILZPKXWOKG-PKOBYXMFSA-N 355.442 1.369 0 40 FDAB COc1ccc(CC(C)(C)NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 331246027 LZKBCPLBLWLVHO-UHFFFAOYSA-N 369.487 1.048 0 40 FDAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)cc1OC 95474897 MLKMONYSGGAAQD-LLVKDONJSA-N 365.411 1.011 0 40 FDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2cccnc2)C1 96110075 MOZALPPQVCQENG-CRAIPNDOSA-N 358.467 1.611 0 40 FDAB Cn1cccc1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 248130618 NDMVBWFNXQKJCK-AWEZNQCLSA-N 352.456 1.081 0 40 FDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@H](N(C)C)[C@H]2O)c1 257317883 VLOSESKHEWSGPI-YRXWBPOGSA-N 371.437 1.331 0 40 FDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 252490032 KHRMGSRNNGJCSP-OAHLLOKOSA-N 354.428 1.597 0 40 FDAB CCn1ccc(C(=O)N2CCC[C@H](CC(=O)N(C)Cc3nonc3C)C2)n1 257298321 RLESFZDIABUJNY-CQSZACIVSA-N 374.445 1.495 0 40 FDAB COCC(=O)N1CCC(c2cncc(N3C(=O)OC[C@H]3C(C)C)n2)CC1 257215383 CPWXVIZPQANMPX-HNNXBMFYSA-N 362.430 1.810 0 40 FDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257277742 NZEQJNOXXBSASK-QGZVFWFLSA-N 357.458 1.641 0 40 FDAB COc1cccc(-c2cc(NC(=O)[C@@H]3CCc4nnnn4CC3)n(C)n2)c1 521255516 FGLHXFNZQKWIBZ-GFCCVEGCSA-N 367.413 1.673 0 40 FDAB Cc1cc(-c2cncc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)[nH]n1 257223136 DWBAMKDRWZSAPZ-UHFFFAOYSA-N 350.448 1.161 0 40 FDAB Cc1ccsc1C(=O)N1CC2(CC[C@@H](CNS(C)(=O)=O)CO2)C1 253599013 YNZBVABYWSXVME-LBPRGKRZSA-N 358.485 1.227 0 40 FDAB CNc1ncccc1CN1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257281110 ONQQLUCXNQYXMC-ROUUACIJSA-N 352.438 1.735 0 40 FDAB Cn1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c2ccccc21 257268348 MLHQYCIONSAYKM-BHIYHBOVSA-N 357.454 1.522 0 40 FDAB Cc1nc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ccc1Br 643718773 GTJJSRJCRAKYQD-HNNXBMFYSA-N 356.264 1.962 0 40 FDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cccc4c3OCCCO4)C2)nn1 652073740 OYCPBGFQJKYVDR-GFCCVEGCSA-N 372.381 1.615 0 40 FDAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)OCCO2 656857521 IOKHARJEUZODKQ-KUHUBIRLSA-N 356.426 1.784 0 40 FDAB Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3C(N)=O)CC2)cc1 1614850445 FEBRKRJJRMJUEZ-CVEARBPZSA-N 352.456 1.286 0 40 FDAB O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 96099486 POXDXVJYFCDOSB-UHFFFAOYSA-N 373.431 1.176 0 40 FDAB CNC(=O)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cccn2C1 585099135 OXHNOZWYEHYLEX-AWEZNQCLSA-N 369.421 1.668 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@@H](CN1CCC(O)CC1)C2 585104834 UBDKCGFCLWRLEE-LJQANCHMSA-N 374.481 1.860 0 40 FDAB C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CCN1S(C)(=O)=O 585096709 AVYZWPVWTSEWFD-VIFPVBQESA-N 357.823 1.242 0 40 FDAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3coc(C)n3)cc2NC1=O 585281964 VRWYKCFTNOIIIJ-LBPRGKRZSA-N 365.367 1.211 0 40 FDAB Cn1ncc2c(N3CCN(c4cc(C(C)(C)C)ncn4)CC3)ncnc21 685265088 KCHXJPJPOWAIBC-UHFFFAOYSA-N 352.446 1.777 0 40 FDAB NC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCOCC1 55055567 RVTCBTYJXOJQIY-UHFFFAOYSA-N 356.220 1.239 0 40 FDAB COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38490384 QYEMGUQXZLFKAM-CHWSQXEVSA-N 374.466 1.578 0 40 FDAB O=C(O)[C@@H](C1CC1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 635015925 IKTJPZKNKRUMGQ-RBUKOAKNSA-N 371.481 1.658 0 40 FDAB O=c1[nH]cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)[nH]1 5375894 JZRRFJNTWBHVSZ-UHFFFAOYSA-N 369.708 1.536 0 40 FDAB O=C(Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O)N1CCCC1 12117394 BRONQXYOYPSEIQ-UHFFFAOYSA-N 367.384 1.858 0 40 FDAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cc4ccccc4C)CC3)c2n1 12336930 PSOOVPGQFNFZES-UHFFFAOYSA-N 366.425 1.950 0 40 FDAB CCNS(=O)(=O)c1cc(C(=O)NCCCOC(C)C)ccc1OC 16681794 PPNKNSKUGPLBJP-UHFFFAOYSA-N 358.460 1.538 0 40 FDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529542 DKSOAYFCYKQHCY-NEULZYRMSA-N 350.802 1.537 0 40 FDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 226318318 RJTCRJOZAZYLME-OLZOCXBDSA-N 365.455 1.088 0 40 FDAB Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cnn(CC3CC3)c2)cn1 633324268 YBNLWNPDGKEAJA-INIZCTEOSA-N 356.430 1.061 0 40 FDAB Cc1occc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)n1N 21093592 WDGLMCHKGCEATN-AOOOYVTPSA-N 351.432 1.288 0 40 FDAB Cc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncncc4C)C[C@H]3C2)s1 1889147553 GAVBATKJDLKGEA-KBPBESRZSA-N 364.496 1.912 0 40 FDAB Cc1ncoc1C(=O)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985058 WRKSSADHMVGYJC-IBGZPJMESA-N 371.393 1.258 0 40 FDAB Cc1c(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)nc2ccccn12 1614937885 SNDWMSNUTKQYPV-DLBZAZTESA-N 354.454 1.826 0 40 FDAB COCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3)ccc2c1=O 3906583 SKJNXRZJJZGQMF-UHFFFAOYSA-N 353.378 1.266 0 40 FDAB O=C(c1cocn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751266 BLMRDLAFOYJNAB-UHFFFAOYSA-N 354.410 1.994 0 40 FDAB Cc1cccc(NC(=O)c2cn(CC(N)=O)c3nc(C)ccc3c2=O)c1 49002119 SRUPPPJEPYZRKB-UHFFFAOYSA-N 350.378 1.751 0 40 FDAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 102224750 DFIGHUIBAWSHJD-OKILXGFUSA-N 364.409 1.957 0 40 FDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 50727725 QQICLUPAEQMGGN-LBPRGKRZSA-N 353.463 1.807 0 40 FDAB Cc1cc(NC(=O)CN2CCCN(C(=O)c3ccc(F)cc3)CC2)no1 32776819 CWEAHBYKFXJCMH-UHFFFAOYSA-N 360.389 1.909 0 40 FDAB C[C@@]1(C(=O)N2CCN(c3nccs3)CC2)Cc2ccccc2C(=O)O1 32904494 UIVDWSQDRKKDPI-SFHVURJKSA-N 357.435 1.964 0 40 FDAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)C)c1 33026244 WAHYLGAJNNCRPF-UHFFFAOYSA-N 365.249 1.076 0 40 FDAB O=C1CCc2cc(OC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)ccc2N1 102885442 GULFADYWBYKABC-GNTOHDJUSA-N 366.373 1.284 0 40 FDAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NCc1ccc(F)cc1 33434167 WHUHPCXAPZYHBU-CVEARBPZSA-N 355.413 1.723 0 40 FDAB O=C1COc2cc(C(=O)NS(=O)(=O)c3cc(F)ccc3F)ccc2N1 42269710 XXKWIAOPFYZSRB-UHFFFAOYSA-N 368.317 1.414 0 40 FDAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cccnc2)CC1 849941 BCCXBZMDTNLUAS-UHFFFAOYSA-N 355.394 1.697 0 40 FDAB O=C(Cn1ccnc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 12559530 QRCYKMCWPAUVGC-UHFFFAOYSA-N 374.466 1.647 0 40 FDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4008913 XYZJRDWLOIGRFN-VKPHEEHNSA-N 355.390 1.832 0 40 FDAB CN1CCC[C@H]1CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984213 RYKPYIDOGUSMPT-WSTOHFRZSA-N 356.426 1.979 0 40 FDAB COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1Cl 57364073 BSVKUKYRIFLENM-UHFFFAOYSA-N 361.833 1.899 0 40 FDAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2cc(C)on2)nc1N 12517214 LCQOHVYWSFMTIA-MRVPVSSYSA-N 351.388 1.651 0 40 FDAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 8110873 VKRHTVHQQGDJAT-UHFFFAOYSA-N 356.425 1.452 0 40 FDAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@H]1CCCN(c2ncccn2)C1 58379814 OLLZVBGHISZDLT-GJZGRUSLSA-N 356.430 1.565 0 40 FDAB O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 2240633 DUZXCCIHCKNACF-DHDCSXOGSA-N 356.838 1.842 0 40 FDAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 53723454 WHFZPWUOJHLRQL-UHFFFAOYSA-N 363.377 1.455 0 40 FDAB C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cnn(C)c3)cn2)CCO1 45877229 WGJSVWVUTLQNBO-AWEZNQCLSA-N 358.446 1.382 0 40 FDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2 54810343 FVSGCNFKYBWIRB-GFCCVEGCSA-N 368.455 1.307 0 40 FDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)c(OC)c1)NC(=O)N2 11665641 MEIQPNOGMTWIHG-MRXNPFEDSA-N 361.398 1.191 0 40 FDAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 29461688 JAXFAOCFNQLLGW-ROJDOSBLSA-N 365.437 1.343 0 40 FDAB CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 11866620 IIDSDTWGXOECFP-UHFFFAOYSA-N 373.409 1.362 0 40 FDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cnn(C)c2)n1 61717829 MBZFICRQPMQTFZ-UHFFFAOYSA-N 357.345 1.430 0 40 FDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2ccccc2C1 12618291 RNYSXOPQLSLOGZ-CYBMUJFWSA-N 356.378 1.526 0 40 FDAB C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1CCCO1 48169645 XJSMQULEGSCMTR-RKDXNWHRSA-N 361.261 1.924 0 40 FDAB CCc1nnc(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)o1 48236976 UDFGOTYROWYQQL-OAHLLOKOSA-N 358.398 1.116 0 40 FDAB COc1ccccc1CC(=O)NCc1ccnc(N2CCN(C)CC2)c1 48309974 WLZGQYIUCWZUEA-UHFFFAOYSA-N 354.454 1.701 0 40 FDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCc2ccco2)C1=O 3430131 UPLPVMMZZVVGJH-SFHVURJKSA-N 371.349 1.092 0 40 FDAB CCN(c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O 10009970 WAUPUFAYAQBXEV-OAHLLOKOSA-N 356.444 1.147 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)NCC(=O)Nc1ccc(F)cc1 13020980 FGXYCSXZZSFTBG-IUODEOHRSA-N 364.421 1.758 0 40 FDAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1CC 13057062 PFPDLLUOKNSYAY-MRXNPFEDSA-N 372.469 1.717 0 40 FDAB COC(=O)COc1ccc([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 4148830 GSMBUENEANXJIL-UHFFFAOYSA-N 372.381 1.893 0 40 FDAB O=C(N1CCCC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 306132760 LRNVBEWJMIIIOM-OAHLLOKOSA-N 355.446 1.823 0 40 FDAB Cc1ccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)s1 306143658 YIFPJLJCLKUFFD-OLZOCXBDSA-N 357.483 1.845 0 40 FDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408559548 MJVZZLBIFRWHQX-LLVKDONJSA-N 360.863 1.885 0 40 FDAB COc1ccc(CN(C)C(=O)c2ccccc2-n2cnnn2)cc1OC 9512557 UEWGPSCBDIAVKA-UHFFFAOYSA-N 353.382 1.952 0 40 FDAB Cc1noc(N)c1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 9514183 HGHZGMRJYHWOSO-UHFFFAOYSA-N 358.354 1.488 0 40 FDAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1S(=O)(=O)N(C)C 8388917 MDMDORVXCRRFKW-UHFFFAOYSA-N 350.400 1.296 0 40 FDAB CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 8546542 KATUDGSASHGCDJ-SFHVURJKSA-N 359.357 1.844 0 40 FDAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 8705533 QMCPHMPUBULAIE-UHFFFAOYSA-N 358.416 1.294 0 40 FDAB COCCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 9060869 KKTVAEKVCWOBKM-RYUDHWBXSA-N 370.452 1.137 0 40 FDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 95959128 NVXUXZQTZVEOSP-DZGCQCFKSA-N 352.456 1.483 0 40 FDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3ncon3)cc2)C1 95393087 VPQRPCLVGDPKBH-XJKSGUPXSA-N 372.425 1.740 0 40 FDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 84686773 CNGZWVPUZVDRLN-WFASDCNBSA-N 364.467 1.532 0 40 FDAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2OC)cc1 408554913 VNEDAXVULYXYHF-UHFFFAOYSA-N 371.393 1.787 0 40 FDAB CC(C)(C)N1C[C@H](NC(=O)COc2ccc3c(c2)NC(=O)CC3)CC1=O 1565524836 QBZZNJQCRHKNOX-CYBMUJFWSA-N 359.426 1.466 0 40 FDAB O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)C[C@]12CCOC2 565459045 CROOJQDAHONTDJ-DOMZBBRYSA-N 361.366 1.218 0 40 FDAB COCC(=O)Nn1c(C)cc2c(cnc3nc(-c4ccccc4)nn32)c1=O 38784051 OTVGNUDCUAEUOR-UHFFFAOYSA-N 364.365 1.131 0 40 FDAB COC(=O)C1(NC(=O)CCN2C(=O)c3ccccc3C2=O)CCCCC1 32900517 QNGHSWYSYOFORN-UHFFFAOYSA-N 358.394 1.665 0 40 FDAB CN(C)Cc1ccc(C(=O)N2CCc3c(nnn3-c3ccccc3)C2)cn1 562034824 FFRUTEOADQMXPY-UHFFFAOYSA-N 362.437 1.922 0 40 FDAB CS[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 33228715 DAKZOGKFSMJLRM-CYBMUJFWSA-N 370.496 1.474 0 40 FDAB O=C(O)CC[C@@H]1C[C@@H](C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)CO1 1574682961 YQIHBQGCZDAARX-BRWVUGGUSA-N 374.437 1.216 0 40 FDAB Cc1cc(S(=O)(=O)N(CCO)CCO)c(Cl)cc1Br 41096526 DPHAUTDBQKYTIR-UHFFFAOYSA-N 372.668 1.386 0 40 FDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)o1 40025569 MITFXNXGJQLBJD-NBOVPLECSA-N 352.456 1.956 0 40 FDAB Cc1ccc(-n2cnnn2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44600980 RQNHYYCHXJPDFQ-AWEZNQCLSA-N 362.393 1.962 0 40 FDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(OC)cc2)s1 223134312 WCAOVZJUWDOBGP-UHFFFAOYSA-N 370.456 1.416 0 40 FDAB C[C@H](c1ccsc1)N1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 333369466 ISESWBXYKHYDRC-TZMCWYRMSA-N 364.471 1.284 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)C2CCOCC2)Oc2ccccc21 96111974 JPZXSFCEPFJDPT-RDJZCZTQSA-N 374.437 1.455 0 40 FDAB biogenic,in-vitro COC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)N1S(C)(=O)=O 96217431 KPBUPADJQFYDMG-MRXNPFEDSA-N 353.488 1.487 0 40 FDAB Cc1ccccc1-n1cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)nn1 584153438 NVWGUMWBCCHDRQ-SFHVURJKSA-N 368.485 1.362 0 40 FDAB CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96219979 YPLCJLOUCKKRPM-CGTJXYLNSA-N 353.426 1.233 0 40 FDAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)nn1 96074850 CEBWAWYGBUTIST-SFHVURJKSA-N 356.430 1.328 0 40 FDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040468 HQWNWHDFUSSROF-GDBMZVCRSA-N 355.460 1.138 0 40 FDAB CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12 96250940 SYSGUNLWQFOADI-GVDBMIGSSA-N 368.474 1.585 0 40 FDAB CC(=O)N1C[C@H](NC(=O)c2cn3c(n2)CCCC3)CC[C@@H]1C(F)(F)F 583620095 XUGAZEXUPDDOAE-DGCLKSJQSA-N 358.364 1.891 0 40 FDAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)O)C1 96198753 YCWCCJBFWWJMDM-DOTOQJQBSA-N 356.426 1.610 0 40 FDAB COc1ccc(CN2CCO[C@H]3CN(C(=O)C4CC4)CC[C@H]3C2=O)cc1 96107168 JAAFXNYNKGFWHT-MSOLQXFVSA-N 358.438 1.681 0 40 FDAB CN(CC(=O)N1CCOC[C@H](Cc2ccncn2)C1)Cc1cccnc1 257295489 QYMPYVOUHQUJSM-QGZVFWFLSA-N 355.442 1.021 0 40 FDAB Cc1cccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)n1 257286559 PMABIXOZHAEMFV-VDHUWJSZSA-N 360.385 1.591 0 40 FDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc1 257211563 BZJBNYKKOCNKAJ-KRWDZBQOSA-N 354.410 1.394 0 40 FDAB COCCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl 257245654 IQMQDSZATFNUSY-PBHICJAKSA-N 367.877 1.554 0 40 FDAB Cc1cc(C)n(Cc2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)n1 273808537 JTDZXVPLEMWMOJ-UHFFFAOYSA-N 353.430 1.745 0 40 FDAB COCCN1CCC[C@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1 606843576 XZNQENGYXAOVTF-LBPRGKRZSA-N 361.364 1.863 0 40 FDAB CN1CCN(C(=O)c2sccc2-n2cnnn2)CCC12CCOCC2 1615589491 QKJBNRDBMAVGQO-UHFFFAOYSA-N 362.459 1.051 0 40 FDAB CO[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C1 630253073 VKDRAGUPOIYAOY-HNAYVOBHSA-N 360.410 1.188 0 40 FDAB CCN(C)C(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 667093825 DSFPGIGLBZGFOJ-DOMZBBRYSA-N 367.471 1.866 0 40 FDAB O=C(c1cncnc1-c1ccccc1)N1CCC(c2nc(O)n[nH]2)CC1 673434622 BQWUJIWEODNHRB-UHFFFAOYSA-N 350.382 1.987 0 40 FDAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)c4ccnnc4)C[C@@H]23)n1 585094045 OJFGDNPYZLCAFB-WDSOQIARSA-N 368.437 1.874 0 40 FDAB O=C(c1ccc(O)cc1)N1CCC2(CC1)CO[C@H](CN1CCC[C@H](O)C1)C2 585104582 QOBRIAUDCCMONL-OALUTQOASA-N 374.481 1.860 0 40 FDAB CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(OCCOC)nc1 56869180 XWWXEHLTQHKPHA-CYBMUJFWSA-N 352.435 1.211 0 40 FDAB O=C(NCCN1CCOCC1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 57031154 BEXCLBJBGBGQFP-UHFFFAOYSA-N 368.359 1.953 0 40 FDAB CS[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)C[C@@H]1N(C)C 89568456 VMYCFYIHQALSEZ-DOTOQJQBSA-N 372.494 1.659 0 40 FDAB Nc1cccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c1 5616308 ORKITLRKAFJQEE-UHFFFAOYSA-N 361.832 1.370 0 40 FDAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1=O 5861020 YNWCLROSRSGIBB-UHFFFAOYSA-N 374.466 1.756 0 40 FDAB Cc1cccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12795135 CMSVSCLLVVYASS-AWEZNQCLSA-N 364.423 1.204 0 40 FDAB Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCC1 15278798 GMAWRSBHIIIBLD-UHFFFAOYSA-N 365.434 1.861 0 40 FDAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)[C@H]2CCCO2)CC1 19288967 MSSBEEFRTQMGAH-LJQANCHMSA-N 369.469 1.742 0 40 FDAB CCC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19498977 ISCRTGOUXIFVTK-FQEVSTJZSA-N 353.422 1.784 0 40 FDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCn3ccc(C)n3)C2)c1 19750256 FQSIXSTZSKKFBS-MRXNPFEDSA-N 356.426 1.479 0 40 FDAB CCn1cc(O[C@@H]2CN(c3nc(NC)c4ccccc4n3)C[C@H]2O)cn1 624421436 OAXDHDJBMKCAHX-HZPDHXFCSA-N 354.414 1.516 0 40 FDAB CN(C)c1ccnc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 648429387 BUCPSVBOJHOPHA-KSSFIOAISA-N 353.426 1.492 0 40 FDAB Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)CC1CCOCC1 657201179 SFWGRNWILQJENP-GOEBONIOSA-N 357.476 1.234 0 40 FDAB CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)O)[C@@H]1O 35270752 AGWIINKICRXDEB-JTABCQBRSA-N 352.427 1.706 0 40 FDAB biogenic,in-vitro COc1ccccc1-n1cc(Cn2ccn(C3CCCC3)c(=O)c2=O)nn1 1888909617 ORYPATLKLIXTIN-UHFFFAOYSA-N 367.409 1.763 0 40 FDAB Cc1cc(N2CCN(c3nccn4nc(C)cc34)CC2)nc(N(C)C)n1 1889136227 NFCNRGMPEXDWJS-UHFFFAOYSA-N 352.446 1.529 0 40 FDAB Cc1ccc(N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)nn1 1889138760 BSQFZHACIBBCTQ-UHFFFAOYSA-N 350.430 1.704 0 40 FDAB Cc1cccc(CN2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)c1 23249324 IIKFPKOUXQISAQ-UHFFFAOYSA-N 372.494 1.912 0 40 FDAB CCN(C(=O)c1ccccc1I)[C@H]1CC(=O)NC1=O 103391794 YXNLKKFOITYGGO-JTQLQIEISA-N 372.162 1.168 0 40 FDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2cnoc2C)CC1 238863998 LIHXYLBPFFTWBL-UHFFFAOYSA-N 369.418 1.637 0 40 FDAB O=C([C@H]1CN(c2ccc(C3CC3)nn2)CCO1)N1CCC(F)(F)CC1 2087127719 KGUJSESAQXXRLW-CQSZACIVSA-N 352.385 1.817 0 40 FDAB Cc1snnc1C(=O)N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 1565543174 DKLJUNKXNCFODM-MRXNPFEDSA-N 360.443 1.239 0 40 FDAB C[C@@H]1CCCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)C1 7425820 BTZRZXIXAUWRIQ-CQSZACIVSA-N 367.453 1.718 0 40 FDAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccnc3)CC2=O)cc1 8808609 NGWKNXPVPFHUCU-CYBMUJFWSA-N 361.423 1.422 0 40 FDAB Cn1cc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)nn1 1775965946 MKEYEPZRWHMOMF-UHFFFAOYSA-N 358.446 1.834 0 40 FDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)NC3CC3)C2)n(-c2cccnc2)n1 2332241649 RUKOGEAQKUACEE-APHBMKBZSA-N 356.430 1.429 0 40 FDAB CCN(C)C[C@H]1COC2(CN(C(=O)Nc3ccccc3)C2)CS1(=O)=O 2332243282 XKVBAERHBIHOOV-HNNXBMFYSA-N 367.471 1.038 0 40 FDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(C)=C2C(=O)OC)cc1 100128654 RGQVHWJHYLQHBC-CYBMUJFWSA-N 360.366 1.385 0 40 FDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncccn2)C1 32417432 DCWIFCFTWUJXDX-OAHLLOKOSA-N 354.410 1.781 0 40 FDAB Cc1nc(CC(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)cs1 21242838 HPFKLWYZWZMHJZ-UHFFFAOYSA-N 354.453 1.988 0 40 FDAB Cc1cc(C)n(CC(=O)Nc2ccccc2OC(F)F)c(=O)c1C(N)=O 32859750 CBAQTJYBRZPASX-UHFFFAOYSA-N 365.336 1.804 0 40 FDAB CC(=O)Nc1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)ccc1C 52939073 DGVWWFNUNDUJHS-CQSZACIVSA-N 367.471 1.355 0 40 FDAB NS(=O)(=O)c1ccc(CCNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 103136770 NRSPOXZIUNTYIF-YDHLFZDLSA-N 353.513 1.529 0 40 FDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)cc1 802968 BYLIOHVLWRTTJL-UHFFFAOYSA-N 364.810 1.801 0 40 FDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)N1CCCc2ccccc21 23173716 DSLNPQPYHKAQHE-AWEZNQCLSA-N 354.410 1.824 0 40 FDAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC1CC1 982811 CPRCFVBIXALFSZ-UHFFFAOYSA-N 352.456 1.955 0 40 FDAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCC4(CC3)NC(=O)NC4=O)c2c1 24681160 SSSHDUWQIKLPJH-UHFFFAOYSA-N 354.410 1.528 0 40 FDAB Cc1cc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc(C(=O)O)c1C 79107645 KLTSRCNFWZXYJP-UHFFFAOYSA-N 373.394 1.778 0 40 FDAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 3334240 SXTDTSNKWOJGGJ-GFCCVEGCSA-N 367.361 1.058 0 40 FDAB CCCCn1c(=O)c2sccc2n(CC(=O)NCCCOC)c1=O 57427144 MXWGPTFWTNKXLT-UHFFFAOYSA-N 353.444 1.178 0 40 FDAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(F)c1 27591008 YPYYEXKJVZXYFH-QGZVFWFLSA-N 354.389 1.834 0 40 FDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 58141796 FTYLCANETILOLE-CYBMUJFWSA-N 369.464 1.666 0 40 FDAB C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](c2cccc(Br)c2)C1 58277985 MKMUNYFQXAXXFH-CABZTGNLSA-N 356.220 1.406 0 40 FDAB O=C(CNC(=O)NCc1ccc(Cn2cncn2)cc1)NC1CCCCC1 58393746 CUZCMKHHNJAKAL-UHFFFAOYSA-N 370.457 1.575 0 40 FDAB CCc1ccc(O)c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 58331677 UYCDFUSMIAEWEQ-UHFFFAOYSA-N 359.470 1.725 0 40 FDAB O=S(=O)(c1cccc2nsnc12)N1CCN(C2CCCC2)CC1 45713469 INIVLJAZMZQFFN-UHFFFAOYSA-N 352.485 1.940 0 40 FDAB C[C@H](CCc1ccccc1)NC(=O)NC1CCN(S(C)(=O)=O)CC1 29319821 YAWOQIFNCWMMLC-CQSZACIVSA-N 353.488 1.731 0 40 FDAB CCCCn1c(N)c(N(C)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O 108955746 KHOSVBBWUIKXGI-SDDRHHMPSA-N 365.503 1.418 0 40 FDAB CCN(CC)C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 103362451 OLZDJMZHPQMMOK-QAQJPARQSA-N 350.459 1.873 0 40 FDAB C[C@H]1CCCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)C1 10541802 PJRPWQSJNSJESV-AWEZNQCLSA-N 354.472 1.715 0 40 FDAB Cc1cnc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 10626835 GLDMOYJIPLWHSH-VIFPVBQESA-N 350.425 1.517 0 40 FDAB Cc1nn(C)c(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 10953452 VVNCAOQNYPTWAX-LBPRGKRZSA-N 359.382 1.627 0 40 FDAB CCn1nccc1/C=c1\sc2n(c1=O)[C@H]1C[C@](C)(N=2)Oc2ccccc21 102449774 WNDIDGUEWXLWMR-ODFRGYAVSA-N 366.446 1.676 0 40 FDAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 12869885 UVKGWRFUJUWBOC-UHFFFAOYSA-N 353.271 1.600 0 40 FDAB C[C@@H]1c2cc(F)ccc2O[C@@]1(O)C(=O)N1CCN(C(=O)c2ccco2)CC1 12978104 ORFARLUUBHTQTN-CWTRNNRKSA-N 374.368 1.588 0 40 FDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ncc(-c3ccccc3)o2)n(C)c1=O 6083773 JGZMAWRTDLHZQD-UHFFFAOYSA-N 371.784 1.790 0 40 FDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O 9494683 BNRBZQIEXZXIFL-SJKOYZFVSA-N 373.384 1.436 0 40 FDAB COCCNC(=O)CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9457140 WNIMUEQAAGHMME-UHFFFAOYSA-N 359.382 1.367 0 40 FDAB Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 5387392 MVRLAKVIJFLMTN-UHFFFAOYSA-N 366.377 1.654 0 40 FDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCCCC1 5324131 NFGQIWIZAAPZAW-KBPBESRZSA-N 361.417 1.696 0 40 FDAB O=C(C[C@@H]1C=CCC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 14140539 AOXDNOSOPCIHEG-OAHLLOKOSA-N 364.467 1.680 0 40 FDAB CCOC(=O)C1=NN(C(=O)Cn2nc(C)cc2C)[C@@](O)(c2ccccc2)C1 4557488 TWMOPIPBLRIEQT-IBGZPJMESA-N 370.409 1.497 0 40 FDAB Cc1cc(=O)n(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 75092034 KPSJBXRXJDIATK-KZULUSFZSA-N 360.414 1.133 0 40 FDAB C[C@@H](C(=O)NCC1(CC(=O)O)CCCCC1)n1nnc2ccccc2c1=O 6760721 PLNLZJKEJPFNCB-ZDUSSCGKSA-N 372.425 1.894 0 40 FDAB CCc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCCOC)n2)cc1 6916190 QGXDFUSWHFLLEW-UHFFFAOYSA-N 363.443 1.598 0 40 FDAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 8013256 AULZSSTZGJEWOA-UHFFFAOYSA-N 361.361 1.719 0 40 FDAB Cc1c(C(=O)O[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccccc1Cl 95947898 RAYWAOHJXFDIEU-SNVBAGLBSA-N 355.803 1.573 0 40 FDAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)NC)c2)s1 21281290 KBCWYPARTFPROW-UHFFFAOYSA-N 358.470 1.811 0 40 FDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCCCOc1ccccc1 8993907 CSARZFHQPCFJBB-UHFFFAOYSA-N 367.405 1.665 0 40 FDAB O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 97147770 LIXKOXQIKQLQJC-UHFFFAOYSA-N 367.452 1.571 0 40 FDAB C[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3n2)CCN1C[C@@H](C)O 95461104 VTPBZGLNDAUDQL-QWHCGFSZSA-N 365.865 1.584 0 40 FDAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC1CC1 408709532 CXRDGGHCKSKYMG-UHFFFAOYSA-N 367.405 1.842 0 40 FDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(O)c1 32072324 QKUNNAWQCWIPGF-LBPRGKRZSA-N 371.368 1.639 0 40 FDAB COc1ccc(N2C[C@@H](C(=O)Nc3ncccc3O)CC2=O)cc1OC 30516386 HLEFOYZTZVPLAF-NSHDSACASA-N 357.366 1.796 0 40 FDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)C(=O)O 218204294 IXKAONPVWWUNET-NTZNESFSSA-N 362.245 1.379 0 40 FDAB COc1cccc(-c2nnn(CC(=O)N[C@H]3CCOc4ccccc43)n2)c1 72390371 RSNWREPQTLGRCK-INIZCTEOSA-N 365.393 1.989 0 40 FDAB NC(=O)C1(CNc2ccccc2S(=O)(=O)C(F)(F)F)CCOCC1 78724318 OKPHUBDNNSENPP-UHFFFAOYSA-N 366.361 1.674 0 40 FDAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225897253 NLBNXIGJOVMPTN-UHFFFAOYSA-N 364.519 2.000 0 40 FDAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40002587 NDKVKPCXIVULHA-KXBFYZLASA-N 371.481 1.826 0 40 FDAB Cc1ncsc1CN1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1 96207853 NMVMNNOMEAQSLF-DZGCQCFKSA-N 359.517 1.514 0 40 FDAB Cc1cnc(C(=O)N2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cn1 96183504 FAAMHFXCEAILCH-DLBZAZTESA-N 353.426 1.296 0 40 FDAB CN1CC[C@@H](NC(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)C1=O 583623795 XRCRYYRRGURFTK-GOEBONIOSA-N 374.489 1.354 0 40 FDAB COC[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1c1ncccn1 96051830 DVQZCQRQMCIUOI-AWEZNQCLSA-N 366.487 1.276 0 40 FDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)no1 248117699 JBFRIRMIBNXFQJ-OAHLLOKOSA-N 358.442 1.733 0 40 FDAB Cc1cc(N)cc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257262413 LLHLXVWXCGQZJI-GOSISDBHSA-N 354.458 1.936 0 40 FDAB CN(C)c1nccnc1[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 257211475 BYZWQBLLMVQPEF-QGZVFWFLSA-N 356.426 1.887 0 40 FDAB COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(C)cc1N 1775964964 NVNFQPGMNNLOAR-UHFFFAOYSA-N 362.367 1.452 0 40 FDAB O[C@@]1(Cc2cccc(Cl)c2)CCN(Cc2nnc3n2CCOCC3)C1 1614994909 WPFWXKGIQFHYLM-GOSISDBHSA-N 362.861 1.684 0 40 FDAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)cc1 585111312 NYTLPCYNUUSXIO-MRXNPFEDSA-N 368.437 1.930 0 40 FDAB O=C(NCC(=O)N1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 678948242 RCERYPKKYFGVJT-GXTWGEPZSA-N 371.359 1.719 0 40 FDAB COc1cc2nc(N3CCN(C)[C@@H](c4ncc[nH]4)C3)nc(N)c2cc1OC 684599943 NKPDBHJTCJVZLG-CYBMUJFWSA-N 369.429 1.445 0 40 FDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCC(C)(C)CN(C)C 48287917 ROYHAQGNRODBNC-MRXNPFEDSA-N 362.453 1.608 0 40 FDAB NC(=O)CC1(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CCOCC1 75094350 BGIKJNVZBVGLEF-UHFFFAOYSA-N 360.332 1.669 0 40 FDAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(Cc2ccccc2)c1 97012983 DBOJFGITUYNYJG-INIZCTEOSA-N 372.454 1.645 0 40 FDAB CCOC(=O)[C@H]1CCCN(C(=O)c2nn(CC)c(=O)c3ccccc23)C1 15615335 LCZQYIXNWRJIAG-ZDUSSCGKSA-N 357.410 1.832 0 40 FDAB Cc1noc(C)c1CC(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19580474 GUSFQVDATYFGDO-UHFFFAOYSA-N 371.441 1.482 0 40 FDAB Cn1c(=O)n(C)c2cc(CN3CCCN(c4ccccn4)CC3)ccc21 19657815 RZDITVXOSACMLE-UHFFFAOYSA-N 351.454 1.984 0 40 FDAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CN(C)C)CC2 19711594 WBMZEPCGPAZJJK-INIZCTEOSA-N 374.489 1.038 0 40 FDAB CC1(CNC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)COC1 19718214 JBMSFHONDZAXLC-OAHLLOKOSA-N 355.438 1.712 0 40 FDAB CCOC(=O)c1c(OC(C)=O)c2ncc(Br)cc2n(C)c1=O 169028142 CNMOYYFFWXGTRL-UHFFFAOYSA-N 369.171 1.798 0 40 FDAB COCCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCN(C)CC2)c1=O 22697903 YMZARUQNYSXTRK-LJQANCHMSA-N 372.469 1.241 0 40 FDAB O=c1c2ccc(F)cc2ncn1CC1CCN(C[C@H]2COCCO2)CC1 1849427433 WRRLNAPDXXLLED-INIZCTEOSA-N 361.417 1.663 0 40 FDAB CC(=O)N1[C@@H](CNC(=O)c2cnc(C)nc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 1848354224 FGPYUNSGWBUZRZ-VXIBKDFQSA-N 360.458 1.445 0 40 FDAB CC(C)c1nnc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)s1 1888897539 PVIZOYHQXUETJY-TXEJJXNPSA-N 370.486 1.911 0 40 FDAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2CCS(=O)(=O)C2)cc1 14671259 CMCDYGFAEFRFMK-HYEKCJMVSA-N 350.465 1.768 0 40 FDAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 17401998 AXFUOKISWJTUBN-UHFFFAOYSA-N 356.444 1.292 0 40 FDAB Cc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 23762658 NUYWXLCYLLSEBN-UHFFFAOYSA-N 374.510 1.963 0 40 FDAB COc1ccc(CNC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 25229900 INMHGJNEQBDXEC-AEFFLSMTSA-N 363.458 1.232 0 40 FDAB CCOc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 25404897 MHGYXFNULAOSMF-SFHVURJKSA-N 371.437 1.860 0 40 FDAB Cn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cn1 248118728 JGOXJOWHPJDIOF-KSZLIROESA-N 358.442 1.557 0 40 FDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cccc(=O)n1C)CC2 1565551119 JOXWBJAYKNTFMS-UHFFFAOYSA-N 355.394 1.116 0 40 FDAB CCSc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 4139115 DHNHBCWGACVVHS-UHFFFAOYSA-N 358.423 1.815 0 40 FDAB O=C(Cn1nc2c3sccc3ncn2c1=O)Nc1ccc2c(c1)OCO2 21705155 IUUSIEOIGRCPQQ-UHFFFAOYSA-N 369.362 1.473 0 40 FDAB COCCN1CCC(CNC(=O)C(=O)Nc2cc(C)ccc2OC)CC1 23127339 BNAJMIWQJYAEBB-UHFFFAOYSA-N 363.458 1.417 0 40 FDAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5ncccc45)CC3)nn2)n1 2086889560 UADFIQSNISUKIL-UHFFFAOYSA-N 373.424 1.636 0 40 FDAB Cc1cc(C(=O)N2CC[C@@H](c3nn(CCN)c4nccnc34)C2)cs1 19571616 OCECKKUBHBCFSM-GFCCVEGCSA-N 356.455 1.785 0 40 FDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)c1ccccc1 23115272 PGSQJRFBOHSNDP-AWEZNQCLSA-N 371.441 1.235 0 40 FDAB Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 31388420 GLHGCWNBNBXPRA-UHFFFAOYSA-N 351.472 1.022 0 40 FDAB CN1CC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O 32667952 ZNJMTZIBIDSAIS-UHFFFAOYSA-N 358.398 1.192 0 40 FDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(C(F)(F)F)cc1 32689149 OKCOEROUTWOZSK-UHFFFAOYSA-N 355.272 1.597 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 22496570 FBUNLAOVHAMURU-KBPBESRZSA-N 371.437 1.524 0 40 FDAB CN(CCCNS(C)(=O)=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106574806 BLNFMKJPYWYLMH-ZIAGYGMSSA-N 367.298 1.823 0 40 FDAB C[C@@H](c1ccccn1)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005402 YSPLGWHIJBKPSS-ZDUSSCGKSA-N 351.472 1.805 0 40 FDAB CNC(=O)[C@H](C)NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 55960614 SURGEYBKMAJHFB-AWEZNQCLSA-N 365.437 1.961 0 40 FDAB NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3478625 HPEOGRFDXISZFI-UHFFFAOYSA-N 369.450 1.838 0 40 FDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1 3523380 ULINPQWLHZLZKK-UHFFFAOYSA-N 355.460 1.428 0 40 FDAB CS[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C[C@@H]1N(C)C 107542313 FSGFFWODVDENCJ-LSDHHAIUSA-N 371.528 1.055 0 40 FDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1 6545315 ZOKYXLAXJJHJAI-UHFFFAOYSA-N 362.451 1.675 0 40 FDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 6778974 LWOCUOHZYFVZAW-AWEZNQCLSA-N 354.472 1.931 0 40 FDAB CCCN(C(=O)Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 26407648 MSJHAAROTOYAOW-CQSZACIVSA-N 353.440 1.426 0 40 FDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCN(C2CC2)C1 58202542 PDSZLMKAIOWWSN-ZDUSSCGKSA-N 353.426 1.036 0 40 FDAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 58225059 UPHOSXHGSWYMSM-MRXNPFEDSA-N 368.437 1.354 0 40 FDAB CCOC(=O)c1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58213145 JAPXZMBKWGOSGU-OAHLLOKOSA-N 369.381 1.352 0 40 FDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 25699361 WIVJXQBKUAQPBD-KBXCAEBGSA-N 362.357 1.763 0 40 FDAB COC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(F)cc1 52870364 KGFUSNHPKDXBQK-CYBMUJFWSA-N 350.346 1.085 0 40 FDAB CSC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2121917 REOVMVORQWFXQZ-LBPRGKRZSA-N 365.407 1.590 0 40 FDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(OC(F)F)cc1 9366689 AIOALJGZVNDKBV-LURJTMIESA-N 356.358 1.757 0 40 FDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 58403315 TWJBAOAVPFGIRF-INIZCTEOSA-N 361.442 1.874 0 40 FDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc2c(c1)OCCCO2 10814364 IZZCZUUYUBDFNQ-UHFFFAOYSA-N 373.394 1.291 0 40 FDAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(CN2C(=O)CNC2=O)cc1 28665998 UHRVBWBNHXNPJS-MRXNPFEDSA-N 365.389 1.992 0 40 FDAB COc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)c2nccn2C)cc1 29987423 FGZLVYBQVMCTHF-INIZCTEOSA-N 355.398 1.243 0 40 FDAB COCCN1C[C@@H](C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1=O 47455919 WQEDBYPDSWJZSX-IBGZPJMESA-N 373.497 1.524 0 40 FDAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(N)=O)cc2)c1 3368994 XOCMRBRGEMZNFY-UHFFFAOYSA-N 358.350 1.355 0 40 FDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccccc2F)C1 3484667 FCKYNNPAJXAQHG-STQMWFEESA-N 350.390 1.603 0 40 FDAB CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1F 3484579 PEFBGGUKGPUKTO-UHFFFAOYSA-N 372.352 1.940 0 40 FDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 12901692 KUBIHSKQJYMNPN-QAPCUYQASA-N 370.405 1.598 0 40 FDAB Nc1nccnc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 5174392 KWSWTNUWHFNQDV-UHFFFAOYSA-N 357.395 1.593 0 40 FDAB COc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc2c1OCCO2 9449850 BFGNFLWROGQOMO-UHFFFAOYSA-N 369.329 1.877 0 40 FDAB NC(=O)Cc1csc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 14167038 RPCTVKGZPVZUIP-LLVKDONJSA-N 362.436 1.613 0 40 FDAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cnc2n(c1=O)CCS2 14162205 HEKZSXKXENBDRX-UHFFFAOYSA-N 367.434 1.524 0 40 FDAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC(=O)NCC(F)(F)F 14321447 OBZWOVPAPDFBDK-UHFFFAOYSA-N 371.359 1.969 0 40 FDAB COc1ccc(CN(C(=O)CSc2nc(N)nc(N)n2)C2CC2)cc1 7020712 TUMVIEPNPADXTL-UHFFFAOYSA-N 360.443 1.328 0 40 FDAB NS(=O)(=O)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1 15512858 RJKJRUWBEZQFCS-UHFFFAOYSA-N 360.222 1.966 0 40 FDAB CNC(=O)NC(=O)[C@H](OC(=O)c1c(C)nsc1NC)c1ccccc1 16554242 DEJWMDPUFGIJCR-GFCCVEGCSA-N 362.411 1.847 0 40 FDAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC(=O)NCC(F)(F)F 8133083 PWPZCQQCHSILGU-UHFFFAOYSA-N 363.365 1.971 0 40 FDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nc(-c2ccccn2)cs1 9658110 PVKNYHHUNSGMGM-UHFFFAOYSA-N 364.390 1.949 0 40 FDAB Cc1cc(CNC(=O)CN2CCN(Cc3ccccn3)CC2)ccc1F 84090187 RWHULSSQNIABGV-UHFFFAOYSA-N 356.445 1.963 0 40 FDAB O[C@H](CNCc1c[nH]nc1-c1ccc(Cl)cc1)CN1CCOCC1 8746363 PUCOLXZHYHIZIU-MRXNPFEDSA-N 350.850 1.513 0 40 FDAB NS(=O)(=O)c1cccc(CNC(=O)N2CCC(C(F)(F)F)CC2)c1 73743536 CLVKKJZQPKCSEN-UHFFFAOYSA-N 365.377 1.818 0 40 FDAB COC(=O)c1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)s1 75108295 XEROIVJDSJOSCC-UHFFFAOYSA-N 353.425 1.575 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCCCn3cncc3C)CC2=O)cc1 89702454 HPGHLKSNDIOOCB-OAHLLOKOSA-N 356.426 1.760 0 40 FDAB CC[C@@H](CO)N1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 89943496 JPASPIZKWOXZRH-HNNXBMFYSA-N 372.469 1.506 0 40 FDAB COC(=O)[C@H]1NS(=O)(=O)c2ccc(Cl)cc2[C@]1(O)c1ccccc1 67244941 VSAUTXCFBDZUPA-GDBMZVCRSA-N 367.810 1.409 0 40 FDAB COc1c[nH]c(C(=O)Nc2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1=O 524735084 UGXFHEIARFSEJX-UHFFFAOYSA-N 350.338 1.902 0 40 FDAB CN1C(=O)C[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1nccn1C 560398511 DQNSJCUTFYNXBZ-SUMWQHHRSA-N 351.410 1.851 0 40 FDAB CN(C)CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cn1 225930124 RTMSFQPVQHEBCJ-UHFFFAOYSA-N 374.466 1.985 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccccc1F 222536751 PLHAOEZPCIFUJN-UHFFFAOYSA-N 351.403 1.299 0 40 FDAB CC(C)Cn1cnc2ccc(NC(=O)c3ccn4nnnc4c3)cc2c1=O 95476053 KGGXVAQSSLJMQK-UHFFFAOYSA-N 363.381 1.743 0 40 FDAB CCOC(=O)[C@]12CCCN(CC3CCOCC3)C[C@H]1CN(C(C)=O)C2 96056019 FDQDRZROZFSEOP-HKUYNNGSSA-N 352.475 1.537 0 40 FDAB O=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95472222 UFVHLCVELJBJCV-CQSZACIVSA-N 364.405 1.980 0 40 FDAB CN(Cc1cnc2cnccn12)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619056 AWEJFCHGSQPLBL-HNAYVOBHSA-N 353.474 1.978 0 40 FDAB C[C@@H](CNC(=O)C1=NO[C@]2(CCN(C(=O)NC3CC3)C2)C1)c1ccccc1 96225780 KHSGIZSZHBZJQH-VBKZILBWSA-N 370.453 1.999 0 40 FDAB O=C(Nc1ccccc1)N1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96240947 KVYVGBRESXYQHD-QGZVFWFLSA-N 373.453 1.806 0 40 FDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(CC1CCOCC1)CC2 96059500 XXTPMVJZURQXMA-UHFFFAOYSA-N 357.458 1.394 0 40 FDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2nccn2C)Oc2ccccc21 96111949 LTTSCAJSCYJZPA-HOCLYGCPSA-N 356.426 1.435 0 40 FDAB biogenic,in-vitro Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)Cc1ccccc1)CC2 96254788 FXRNPXHHRZGCLT-UHFFFAOYSA-N 366.465 1.792 0 40 FDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 242575065 NQOYUQOQQJGVHR-IIDMSEBBSA-N 368.499 1.982 0 40 FDAB O=C(CC1CCOCC1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257309706 UCBHTQPKNVKUJJ-MRXNPFEDSA-N 358.442 1.564 0 40 FDAB C[C@H]1C[C@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)N1 252693070 AKIJNLMQHHSTSZ-DABQJJPHSA-N 370.544 1.752 0 40 FDAB CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CCN1CCc1ccccc1 257275076 NNUOJHSKZMVNHY-SFHVURJKSA-N 352.438 1.197 0 40 FDAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCCN(C(=O)C2CC2)CC1 635830420 NNYGXUWMZVJXNQ-UHFFFAOYSA-N 357.332 1.891 0 40 FDAB CO[C@@]1(c2nnc(Cn3nc(C)c(Br)c3C)o2)CCOC1 643646357 WVKUFUNRZRDLFQ-ZDUSSCGKSA-N 357.208 1.956 0 40 FDAB COc1ccccc1CC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 648430385 NRJMQUWKLUYMBV-JXFKEZNVSA-N 353.422 1.969 0 40 FDAB COC[C@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)c1cccc(OC)c1 656720238 QGVQPBBHYQNSLN-HNNXBMFYSA-N 372.443 1.014 0 40 FDAB CCN1C(=O)CC[C@H](C(=O)NCCn2ccnc2C)[C@H]1c1nccn1C 667662630 PYEAQYFRIPQIGD-HOCLYGCPSA-N 358.446 1.041 0 40 FDAB O=C(N[C@H]1COc2ccc3ccccc3c2C1)[C@H]1CCc2nnnn2CC1 606444657 BIICYFXFDMZWGK-LSDHHAIUSA-N 363.421 1.899 0 40 FDAB COc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCO 585262521 JYWXHFRYRIOQGG-QGZVFWFLSA-N 361.438 1.938 0 40 FDAB Cc1ccc(OCc2nnc3n2CCN(C(=O)c2cocn2)[C@@H]3C)cn1 585096989 GLHHDTCYNBWCGZ-GFCCVEGCSA-N 354.370 1.766 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC(COc2ncccn2)CC1 1775996261 LSQNWAUAFGWYQT-UHFFFAOYSA-N 352.416 1.561 0 40 FDAB CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)[C@@H]1CCNC1=O 1776008860 PNHRIMSYTWSREH-CQSZACIVSA-N 359.380 1.431 0 40 FDAB O=S(=O)(NCC1(OCCO)CCCC1)c1ccc(-n2cccn2)cc1 888106959 GTYQUYZYZNYVEO-UHFFFAOYSA-N 365.455 1.472 0 40 FDAB C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 5273641 XOFYZVNMUHMLCC-YKAMNDFBSA-N 358.434 1.766 0 40 FDAB Cc1ccc(C2(O)CCN(CCNC(=O)CCn3nccc3C)CC2)cc1 12326428 NNVAWHXQPOMXNY-UHFFFAOYSA-N 370.497 1.990 0 40 FDAB CC(C)(C)NC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 19083055 YKOFZEBEWCXLKU-UHFFFAOYSA-N 372.469 1.138 0 40 FDAB COc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c(OC)c1 19552552 WFUBSNPREDCLSE-CYBMUJFWSA-N 358.398 1.070 0 40 FDAB CN(C)C[C@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 19749820 HTUYHBSLFQYHKK-OAHLLOKOSA-N 370.457 1.331 0 40 FDAB CC1(NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)CCC1 19751556 NSYOEOZYYDLUCP-UHFFFAOYSA-N 371.412 1.976 0 40 FDAB COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 156021420 PAJCGNQLELRGMM-LRDDRELGSA-N 363.439 1.819 0 40 FDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1F 245171826 XWZJTEHNAQZKEG-RLCCDNCMSA-N 359.419 1.839 0 40 FDAB CCOc1ccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 6993156 GFVLHHPODWFBQU-UHFFFAOYSA-N 361.398 1.750 0 40 FDAB Cn1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cc1=O 1888850249 BOASWQVVYKVXDU-IAGOWNOFSA-N 351.406 1.002 0 40 FDAB COc1cnc(OC2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)nc1 1889078119 ZHWKMVMUDHRCGB-CYBMUJFWSA-N 374.363 1.492 0 40 FDAB CNC(=O)CN1CCC(NC(=O)c2csc(Br)c2)CC1 25235724 ZJYYLXLILIJXIX-UHFFFAOYSA-N 360.277 1.451 0 40 FDAB c1ccc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)nc1 2087043976 NIOWIFFBFHRXCK-OAHLLOKOSA-N 365.441 1.727 0 40 FDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cc(C2CC2)on1 1565546206 VRSGGASLOPAPGI-NSHDSACASA-N 353.386 1.605 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)[C@@]2(C)CC=CCC2)C[C@]2(CNC(=O)C2)C1 1565553491 AVYXXDKUDFCUBQ-OALUTQOASA-N 362.474 1.065 0 40 FDAB O=S(=O)(c1cnc[nH]1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565519317 KUEMHXQYYLFBKC-UHFFFAOYSA-N 363.443 1.557 0 40 FDAB CCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)cn23)n(C)c1=O 4370421 BGPUYYYEVZYRIG-UHFFFAOYSA-N 355.373 1.996 0 40 FDAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 5241825 HRWYFURLSCIXSF-UHFFFAOYSA-N 358.375 1.616 0 40 FDAB NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)Cc1ccccc1 10620773 AMFXQTCHOIKZKP-UHFFFAOYSA-N 352.437 1.791 0 40 FDAB COc1cccc(-c2cc(CC(=O)NCCCN3CCOCC3)no2)c1 12865250 QFRUMQYORNODLB-UHFFFAOYSA-N 359.426 1.731 0 40 FDAB COc1cccc(NC2(C(=O)N(C)C)CCN(CC(=O)N(C)C)CC2)c1 2055750930 NZLWGFFWZOVHSS-UHFFFAOYSA-N 362.474 1.118 0 40 FDAB COc1ccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)cc1 2055772283 QOEAIKWBWJDXJX-UHFFFAOYSA-N 356.426 1.611 0 40 FDAB Cc1nc(NC(=O)Cn2nc(C3CC3)ccc2=O)sc1C(=O)N(C)C 575620319 PSDFBGAXAFFWQJ-UHFFFAOYSA-N 361.427 1.226 0 40 FDAB CN(CCCNC(=O)CN1CCN(c2ccccn2)CC1)c1ccccc1 24014447 VFJLDSUVTICRRH-UHFFFAOYSA-N 367.497 1.846 0 40 FDAB CN(C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Cl 40086972 PUHJAEAAUIJCHB-OAHLLOKOSA-N 373.844 1.569 0 40 FDAB COc1cccc(N2CCN([C@H](C)C(=O)NC(=O)NCC(C)C)CC2)c1 30964369 INIRMFFQBUJQFS-OAHLLOKOSA-N 362.474 1.688 0 40 FDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)nc21 31874251 LEXKACYTVUBBPJ-CQSZACIVSA-N 350.378 1.429 0 40 FDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 101002230 OUSSJXBSQFYHGD-ONGXEEELSA-N 350.718 1.114 0 40 FDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCCN2CC=CC2)cc1 101416875 UXKIEAGTNVWGNK-UHFFFAOYSA-N 365.499 1.709 0 40 FDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCn1c(C)csc1=O 32740691 JMMMDFDESCVNPM-OAHLLOKOSA-N 362.451 1.899 0 40 FDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1cccc(OC)c1 41157889 GUJVMONLGYYCTD-HNNXBMFYSA-N 350.415 1.519 0 40 FDAB CN(CCOc1cccc(F)c1)CC(=O)N1CCN(c2cnccn2)CC1 53186734 FBQOSAJGQPBSNQ-UHFFFAOYSA-N 373.432 1.275 0 40 FDAB C[C@H](CCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 1570643 MPQWSYJGFLADEW-PXAZEXFGSA-N 372.421 1.864 0 40 FDAB in-man Cn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 12508247 QSFUDWZKRAHZEP-UHFFFAOYSA-N 370.456 1.005 0 40 FDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F 4269850 RMBQHRPHRFGDRH-SOCHQFKDSA-N 354.375 1.697 0 40 FDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 25581751 SAWSBKJQCIQHCD-QGZVFWFLSA-N 361.467 1.867 0 40 FDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(OC)cc2)c1=O 4999905 LARXZESWUDQRST-UHFFFAOYSA-N 367.405 1.508 0 40 FDAB CCn1cc(C2=NO[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c(C)n1 6804929 KYZXWTNFZABMGN-KRWDZBQOSA-N 356.382 1.750 0 40 FDAB NC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 7770594 CPWCYPPBLVZKSX-UHFFFAOYSA-N 373.434 1.822 0 40 FDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-n3ccnc3)nc1)CS2 58343868 YTAVHZWLQDMAJI-SUMWQHHRSA-N 357.439 1.338 0 40 FDAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nncn1C1CC1 10649136 KZDNEEKWPCCPPR-UHFFFAOYSA-N 350.425 1.550 0 40 FDAB CC1(C)CCCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)C1 20459317 AUAUBLUCGFGHIY-HNNXBMFYSA-N 352.456 1.862 0 40 FDAB COc1ccc(CNS(=O)(=O)CCn2ccc3ccccc3c2=O)cn1 12516301 HRNPKXGMEQBECG-UHFFFAOYSA-N 373.434 1.525 0 40 FDAB Cc1csc(=O)n1CCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 10805828 PTXUCESGCUBVOI-KRWDZBQOSA-N 374.422 1.107 0 40 FDAB NC(=O)C1CCN(C(=O)CCCCCn2nnc3ccccc3c2=O)CC1 36357252 QVJXMKQURJFSND-UHFFFAOYSA-N 371.441 1.076 0 40 FDAB COc1cccc2c1C(=O)c1ccc3c(c1[C@@H]2O)[C@H](O)[C@H](O)[C@H](C)[C@@H]3O 28537800 XJODQKSMDGEWCE-OBKGSKDTSA-N 356.374 1.399 0 40 FDAB Cc1nc(SC[C@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 11597401 IWLSHMHIZHIUQT-GFCCVEGCSA-N 364.471 1.726 0 40 FDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(N(C)C)cc1 101040190 ZDBRIPNGYGPMKT-OAFZBRQQSA-N 363.410 1.138 0 40 FDAB O=C(CN1CCSC1=O)NC[C@H](c1cccs1)N1CCOCC1 48277978 GEOXOHFFOFKHEJ-GFCCVEGCSA-N 355.485 1.406 0 40 FDAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F 113947434 AINDASDUSSAWRM-UMVBOHGHSA-N 369.462 1.743 0 40 FDAB C[C@H]1CCc2c(sc3nc(CC/C(O)=N/S(C)(=O)=O)[nH]c(=O)c23)C1 48480018 JVLPEYNTOJVWMM-QMMMGPOBSA-N 369.468 1.958 0 40 FDAB O=S(=O)(Nc1nc(O)c2[nH]cnc2n1)c1ccc(Br)cc1 28249527 XGBMSSBQRVNHBJ-UHFFFAOYSA-N 370.188 1.622 0 40 FDAB COC(=O)[C@H](C)SC1=N/C(=C/c2ccc(-n3cncn3)cc2)C(=O)N1 13125353 HDUDKMVYWDXVEP-JLATVTFTSA-N 357.395 1.389 0 40 FDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 13167088 FMMVMVALOYWRFB-UHFFFAOYSA-N 368.455 1.654 0 40 FDAB C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)c1cccnc1 49022798 XUTNDTGHGOESPZ-GFCCVEGCSA-N 353.382 1.427 0 40 FDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc(C(N)=O)cc1 6290249 JKFSXTGTNVILLY-UHFFFAOYSA-N 359.357 1.401 0 40 FDAB CN(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)Cc1ccccc1 14072270 JWGCGDRBJGKJRP-HNNXBMFYSA-N 350.422 1.826 0 40 FDAB COC(=O)C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1 14185982 RGOGMEXVFGGXHL-INIZCTEOSA-N 365.389 1.817 0 40 FDAB COc1ccccc1-c1noc(CN2C(=O)C(=O)N(CC(C)C)C2=O)n1 14114267 IVCQKOCSGKTGJK-UHFFFAOYSA-N 358.354 1.692 0 40 FDAB CCCCn1nnnc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 5469505 CQWIGBKDUQNIJV-SFHVURJKSA-N 354.414 1.757 0 40 FDAB CS(=O)(=O)N1CCc2cc(NC(=O)CNC(=O)c3ccccc3)ccc21 19819377 WZBLWJZSMHFGNP-UHFFFAOYSA-N 373.434 1.377 0 40 FDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7044107 UCVGXGSXLPSQMT-WYRIXSBYSA-N 370.409 1.471 0 40 FDAB COC(=O)[C@H](O)C1CCN(C(=O)CCCOCCc2ccccc2)CC1 83884272 MPJAFMUAXPFKOK-LJQANCHMSA-N 363.454 1.798 0 40 FDAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)Nc1cccc(F)c1 7348891 JOSKQDJVQDTQCI-GFCCVEGCSA-N 352.391 1.620 0 40 FDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCCC3)ccc21 71906067 WSFVZXDPQDWILG-UHFFFAOYSA-N 351.472 1.360 0 40 FDAB Cc1ccc(C)c(OCCOn2nnc3ccc(S(C)(=O)=O)cc32)c1 9722363 QKHIIQZAIVTWNM-UHFFFAOYSA-N 361.423 1.959 0 40 FDAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)Oc2ccccc21 7985711 ZFGUNNJRHAJULN-KRWDZBQOSA-N 364.365 1.415 0 40 FDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 8097237 YHJLDXJCMKYXBV-RYUDHWBXSA-N 367.471 1.042 0 40 FDAB CCOC(=O)c1c(C)oc(NC(=O)CSc2ncccn2)c1C(N)=O 8069810 NXDLJDCNTSCNGD-UHFFFAOYSA-N 364.383 1.384 0 40 FDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 8241950 ZJHMWZSTJRWIGB-UHFFFAOYSA-N 367.377 1.507 0 40 FDAB O=C1C(=O)N(Cc2cccs2)C(=O)N1CC(=O)N1CCc2ccccc21 8325393 WJOGYZOLUFVKSK-UHFFFAOYSA-N 369.402 1.628 0 40 FDAB COc1cccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)c1O 69620907 WZFUXXXTSHYUEV-GFCCVEGCSA-N 373.361 1.514 0 40 FDAB O=C1CCCN1C[C@@H](O)CN1CCC(OCc2ccc(F)cc2)CC1 91888121 ARFHQMBPHQCZFI-KRWDZBQOSA-N 350.434 1.790 0 40 FDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccc(OC)c1OC 18266133 UEIYZJVRZWSAFO-CYBMUJFWSA-N 372.377 1.568 0 40 FDAB biogenic NC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ncc(Cl)cc2[nH]1 8775867 RNDWKJSMGRNKNJ-JTQLQIEISA-N 353.835 1.570 0 40 FDAB C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 8709026 MNGPSTSOVWZNMI-CQSZACIVSA-N 352.456 1.722 0 40 FDAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)c(I)c1 8721514 BBOMQQTXIUEWNO-MRVPVSSYSA-N 361.183 1.856 0 40 FDAB CC(C)NC(=O)NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 9120514 HGKVBPLHCSPBAW-UHFFFAOYSA-N 354.432 1.390 0 40 FDAB CS[C@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1N1CCCC1 95941530 PGIVEXRCUPZBJG-KBPBESRZSA-N 350.513 1.768 0 40 FDAB O=S(=O)(Nc1ccncc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 95950215 ZYMIZBGSQJHFEA-UHFFFAOYSA-N 367.452 1.667 0 40 FDAB CC(C)(O)[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89761636 IOTGYTHAMSJIMY-CQSZACIVSA-N 361.485 1.233 0 40 FDAB O=C1O[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 89834902 RJVBGELSFKLPQR-MSOLQXFVSA-N 364.401 1.685 0 40 FDAB Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)n1 27741821 DIJRMKSSEMYPHK-UHFFFAOYSA-N 371.216 1.598 0 40 FDAB O=C1CCc2ccc(OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc21 36708236 SLYNFMCCAPFQLO-UHFFFAOYSA-N 368.389 1.772 0 40 FDAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[C@@H]1CSC[C@H]1O 36569746 GDADARBDJPFRRR-KKPWCVQLSA-N 370.477 1.377 0 40 FDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)CC1 408593396 QDMIHRNUESSLBU-UHFFFAOYSA-N 366.487 1.641 0 40 FDAB C[C@@H]1Cc2c(NC(=O)c3cc(=O)c4ccccc4o3)nn(C)c2NC1=O 35597745 VGEFHBVVNZLMMV-SECBINFHSA-N 352.350 1.910 0 40 FDAB Cn1c(CN2CC3(CCOCC3)CC[C@@H]2CO)nc2ccccc2c1=O 528643487 YOFRPUZPADUBFZ-OAHLLOKOSA-N 357.454 1.687 0 40 FDAB O=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCO)c1 217458457 PFPUETPMIVYJSU-UHFFFAOYSA-N 364.423 1.310 0 40 FDAB O=c1cc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)nc2ccccn12 40009498 UAHCPXFWNOEAOE-OAHLLOKOSA-N 373.434 1.477 0 40 FDAB Cc1nnc(CNC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)o1 75163721 LEEVRSZORQILCC-UHFFFAOYSA-N 353.264 1.303 0 40 FDAB O=C(c1ccccc1)[C@@H](C(=O)N1CCOCC1)n1cc(Cl)ccc1=O 199407870 URNGLDFGZXOKEQ-INIZCTEOSA-N 360.797 1.785 0 40 FDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 224081843 GZWXGBDGEGFKJE-UHFFFAOYSA-N 363.417 1.743 0 40 FDAB O=C(NCc1nc(Cc2ccccc2)no1)C(=O)Nc1cccc(O)c1 40266289 OBAZVBYXOVIDDM-UHFFFAOYSA-N 352.350 1.621 0 40 FDAB NCCc1ccc(C(=O)NCc2nc(COc3ccccc3)n[nH]2)cc1 1580314910 AJISHCOUNYMYPV-UHFFFAOYSA-N 351.410 1.815 0 40 FDAB C[C@@H]1CN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC[S@@](=O)C1 574282430 WEDDWDQOBOSWPH-SGANQWHYSA-N 360.483 1.825 0 40 FDAB COC(=O)CCc1c(C)[nH]c(SCC(=O)NCc2ccco2)nc1=O 223809516 HUQIVBXKWIHTQR-UHFFFAOYSA-N 365.411 1.185 0 40 FDAB O=C(NCCNC(=O)c1cc(=O)c2cccc(F)c2[nH]1)c1cccnc1 97742867 GITIPNOVZXNPKK-UHFFFAOYSA-N 354.341 1.222 0 40 FDAB O=C(C[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)NCc1cccnc1 96207437 PRJHOGWHCBEFAZ-KDOFPFPSSA-N 357.389 1.170 0 40 FDAB Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)c1 248025174 NQAWGWHGGXHHRG-USXIJHARSA-N 364.467 1.253 0 40 FDAB CNC(=O)[C@H]1COC2(CN(C(=O)CC3=CCCCC3)C2)CN1CC1CC1 247988689 ZZOGHXFNIONTEP-QGZVFWFLSA-N 361.486 1.315 0 40 FDAB O=S(=O)(c1cccnc1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257324665 WPQGCWBNONRUPR-HNNXBMFYSA-N 372.450 1.838 0 40 FDAB Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C 257306954 SWRLRQPRRYEABR-YRXWBPOGSA-N 373.428 1.770 0 40 FDAB COCC(=O)N[C@@H]1[C@@H]2CCCN(c3cc(C)nc(COC)n3)[C@H]2C1(C)C 1615058292 RSZOPVOQFYSFFZ-MORSLUCNSA-N 362.474 1.687 0 40 FDAB Cc1cnn([C@@H]2CCN(C(=O)Nc3ccc(-c4nnnn4C)cc3)C2)c1 626769603 LRFJOZWPBDMISJ-OAHLLOKOSA-N 352.402 1.861 0 40 FDAB CC[C@@](C)(O)CN1CC2(C1)CN(C(=O)CCc1c(C)n[nH]c1C)CCO2 1775960486 OKPJUBASTQQMAY-GOSISDBHSA-N 364.490 1.033 0 40 FDAB Cc1ccc(C[C@]2(CO)CN(C(=O)COc3cccnc3)CCO2)cc1 585276271 FMBBGKBOCIDUFN-HXUWFJFHSA-N 356.422 1.601 0 40 FDAB CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2cc(C)nn2C)C3)C1 585113064 YIARVRYMOIRAIL-AWEZNQCLSA-N 359.430 1.136 0 40 FDAB Cc1cccc(OC[C@@]2(O)CCCN(CC(=O)Nc3cnn(C)c3)C2)c1 585276565 MTFCCLLHGJNQAW-LJQANCHMSA-N 358.442 1.573 0 40 FDAB Cc1ccn2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)nc2c1 55103808 MLWQIOAUFDUVIH-OAHLLOKOSA-N 356.426 1.354 0 40 FDAB Cn1cc(CN2CCNC(=O)[C@@H]2c2ccccc2Br)nn1 678087083 QYRCZEZLHOQXPI-ZDUSSCGKSA-N 350.220 1.251 0 40 FDAB CC1CN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)C(F)(F)F)c2)C1 1188769419 FTXOXBODGGDFSW-UHFFFAOYSA-N 361.338 1.760 0 40 FDAB Cn1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)n1 1549162940 XBEGQGVWCWYQIG-GOSISDBHSA-N 367.453 1.311 0 40 FDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NC1CC1 5060452 CJDQGGXICIGREN-UHFFFAOYSA-N 374.846 1.018 0 40 FDAB Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2cc3ccsc3n12 12088506 VOKNANQDZXHYBE-UHFFFAOYSA-N 353.407 1.731 0 40 FDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)o1 12182621 PPLMXVMEFHYDGJ-UHFFFAOYSA-N 368.349 1.761 0 40 FDAB Cn1nc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c2ccccc2c1=O 12238155 OHDUCJPRYLTWPX-MRXNPFEDSA-N 368.481 1.953 0 40 FDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2ccccc2F)n1 12735390 AEOGJPVMMLSXGK-UHFFFAOYSA-N 369.400 1.716 0 40 FDAB CC[C@H](C(=O)N1CCN(c2ncnc3c2nnn3C)CC1)c1ccccc1 13532727 LWCTZUFJWFWOLF-HNNXBMFYSA-N 365.441 1.601 0 40 FDAB CCOCCCNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13715641 XXSLRFVRIZPECD-OAHLLOKOSA-N 360.451 1.913 0 40 FDAB COc1ccccc1N1CCN(Cc2cc(=O)n3oc(C)cc3n2)CC1 15731933 VCVQWZYCKPQURG-UHFFFAOYSA-N 354.410 1.927 0 40 FDAB COc1cccc(C(=O)N2C[C@H]3Cc4cn(CCNC(C)=O)nc4[C@H]3C2)c1 19021909 IOWHSFKVVCMVQQ-QAPCUYQASA-N 368.437 1.440 0 40 FDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 19868846 HSLGLCQRRRZPRP-AWEZNQCLSA-N 371.528 1.313 0 40 FDAB Cc1cc(C)cc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 4329672 JBRSLXXJHYNRJF-UHFFFAOYSA-N 370.457 1.905 0 40 FDAB O=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccc(-c2ccc(Cl)cc2)[nH]1 643585210 SRXSPGHMWZXPQA-LYRGGWFBSA-N 350.802 1.433 0 40 FDAB CN(Cc1ccsc1)C(=O)COC(=O)Cn1c(=O)oc2ccccc21 19316441 MGRDELFBVGBKIB-UHFFFAOYSA-N 360.391 1.858 0 40 FDAB CSc1ncc(Br)c(=NC2CN(c3cnccn3)C2)[nH]1 1889098729 ZIKXUPPZBDWNHX-UHFFFAOYSA-N 353.249 1.474 0 40 FDAB O=C(Cn1cncn1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889211691 YVCBDVADOVAOSX-UHFFFAOYSA-N 365.397 1.200 0 40 FDAB CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c1C 14043532 YVOMKCGCERWZOV-UHFFFAOYSA-N 361.442 1.545 0 40 FDAB NC(=O)NCc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 24621452 LUMMBPBHAYDPTM-UHFFFAOYSA-N 366.465 1.855 0 40 FDAB COC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 34287795 KQKWBQWQIAVCLZ-GXTWGEPZSA-N 350.415 1.800 0 40 FDAB CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 1565541892 LQCGMIANZRGLEJ-YLJYHZDGSA-N 369.469 1.426 0 40 FDAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21)C1CC1 9823121 FIBOIMHBOXHXIW-UHFFFAOYSA-N 371.828 1.821 0 40 FDAB COc1ccccc1CN1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055747079 DGCMDNKBPIOZQH-UHFFFAOYSA-N 371.485 1.964 0 40 FDAB Cc1nc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)c2cnn(C)c2n1 1775965861 MWDXCBSJRJEUGH-UHFFFAOYSA-N 365.441 1.947 0 40 FDAB Cc1nnc2ccc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nn12 1775965537 CARNNCMNDHTCOF-UHFFFAOYSA-N 351.414 1.708 0 40 FDAB CC(C)c1noc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884353 GCJBTDPKOKMLBJ-GFCCVEGCSA-N 358.389 1.652 0 40 FDAB CCOc1ccc(C(=O)C[C@H](NCCN2CCOCC2)C(=O)O)cc1 20432510 CCZXUQMGMGAJDF-INIZCTEOSA-N 350.415 1.033 0 40 FDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1Br 101675784 KVJHSGBIQQTXCJ-VIFPVBQESA-N 352.148 1.428 0 40 FDAB CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)NCc2nc(C)cs2)c1 21482911 NELZMNDUFHGNKL-UHFFFAOYSA-N 356.473 1.740 0 40 FDAB CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 32854322 NKRCMBSJOAZCAY-DOTOQJQBSA-N 360.410 1.375 0 40 FDAB C[C@@H]1CN(S(=O)(=O)NCc2ccccc2Cn2cccn2)C[C@@H](C)O1 32895792 JDGSMNGGZNFBLF-HUUCEWRRSA-N 364.471 1.375 0 40 FDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 21894061 BCMAJPMSUNVDJV-CYBMUJFWSA-N 364.427 1.726 0 40 FDAB CCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3[C@@H]2C)CC1 54421045 ORWLQOGDXYPJIF-LBPRGKRZSA-N 373.500 1.686 0 40 FDAB Cn1c(=O)c2c(nc(N3CCCC3)n2Cc2cccc(Cl)c2)n(C)c1=O 1238415 QLIXRICENROUHI-UHFFFAOYSA-N 373.844 1.736 0 40 FDAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(NC(=O)C2CC2)C3)cc1 1377917 BVZDFQCZDXLEFX-GOOCMWNKSA-N 364.467 1.906 0 40 FDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 6241317 RNTRZMJWDLBLJS-UKRRQHHQSA-N 370.361 1.988 0 40 FDAB Cc1cccnc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 6969408 CKTKJMAIWDDBQF-UHFFFAOYSA-N 365.345 1.615 0 40 FDAB C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(S(N)(=O)=O)cc1 7988550 UMMQIIOYWQMZTL-GFCCVEGCSA-N 371.422 1.406 0 40 FDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3nccs3)[C@@H]4C2=O)no1 107079078 BVVFSEWLWPTESF-JRFJBVBDSA-N 358.379 1.365 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2nccs2)CC1 10270132 LWNQUNYSFWRFGZ-UHFFFAOYSA-N 371.470 1.479 0 40 FDAB Cc1cc(C)cc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)c1 2233705 MRYCLFAZMQGULL-YVLHZVERSA-N 350.447 1.805 0 40 FDAB CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(C)C 11006333 CWILBFZOOBJRNL-GOSISDBHSA-N 363.433 1.838 0 40 FDAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 89635009 VKQSRXCLUBIDII-DZGCQCFKSA-N 363.483 1.827 0 40 FDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccnc1-n1cncn1 58190869 YWYXMKZQSCEQTG-UHFFFAOYSA-N 363.385 1.288 0 40 FDAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 11904841 MZPFJKMSGFGBGY-GFCCVEGCSA-N 372.468 1.174 0 40 FDAB CNC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 27399706 MVYGPMDWBKCXAL-UHFFFAOYSA-N 362.389 1.904 0 40 FDAB O=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48171469 IKTBDOWDFODVHA-INIZCTEOSA-N 373.457 1.537 0 40 FDAB Cc1ccccc1S(=O)(=O)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 107226402 JPQHSHSMVWSEBF-QAPCUYQASA-N 374.466 1.819 0 40 FDAB CN(CC(=O)NCC1(N(C)C)CCCCCC1)c1ncnc2[nH]cnc12 47403743 CRELACYIWWXECS-UHFFFAOYSA-N 359.478 1.560 0 40 FDAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(C(=O)C2CC2)CC1 12771530 OTMAGVAGSXGEBQ-XVNBXDOJSA-N 356.422 1.942 0 40 FDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(Cc2ccccc2)CC1 101183374 RHEZTYQRAMSEBZ-ROUUACIJSA-N 367.449 1.282 0 40 FDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 3329694 YBWWYMPHEYZPTC-KRWDZBQOSA-N 352.390 1.857 0 40 FDAB COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(OC)c1 3385796 IISBRDZWRPHYHK-UHFFFAOYSA-N 370.361 1.846 0 40 FDAB COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103125835 PKYZLGKPEGEMAS-HOTGVXAUSA-N 371.389 1.858 0 40 FDAB CCOc1ccc(CN(C)C(=O)CN2CCN(c3cnccn3)CC2)cc1 48333339 YSMCOMZCDIHREQ-UHFFFAOYSA-N 369.469 1.656 0 40 FDAB CCOC(=O)CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179672 HRTAGXZCVMIAKW-DINUWMAGSA-N 372.421 1.621 0 40 FDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccc(Cl)c1 10339405 HFZUIAPBMUGGHP-ZIAGYGMSSA-N 365.817 1.378 0 40 FDAB Cc1cc(C)c(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c(=O)[nH]1 12924322 SAWBNPYYHOGUBA-ZDUSSCGKSA-N 355.394 1.422 0 40 FDAB Cc1ccc(C(=O)N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)o1 13002393 DEZGXPMPYBDRIU-UHFFFAOYSA-N 359.411 1.323 0 40 FDAB CN(C)C(=O)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)C1 408127000 ULJYMJJXIYTPPR-UHFFFAOYSA-N 361.368 1.506 0 40 FDAB CCC1(CC)NC(=O)N(C[C@H](O)COCc2ccc(OC)cc2)C1=O 14242079 ZHYYNASFVVGFFR-AWEZNQCLSA-N 350.415 1.683 0 40 FDAB Cc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C 6607068 UROIEMZNOCHPDQ-UHFFFAOYSA-N 368.434 1.206 0 40 FDAB Cn1nc(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2c1=O 7124443 GXGURHKTUKZQJA-UHFFFAOYSA-N 351.362 1.521 0 40 FDAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 8092331 IETXWGHOUADERC-UHFFFAOYSA-N 362.407 1.878 0 40 FDAB CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)O 8429597 BOJSELZSSXPQKR-HNNXBMFYSA-N 368.455 1.700 0 40 FDAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 69806629 AHXVWBLLBQTBIT-AMXDTQDGSA-N 360.501 1.100 0 40 FDAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1S(N)(=O)=O 8754182 PEICFRWDRQUTSM-UHFFFAOYSA-N 366.395 1.612 0 40 FDAB C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 409000525 XJABGSFFRMKWAP-GDBMZVCRSA-N 361.442 1.724 0 40 FDAB COC[C@H](O)CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 95451828 USXSSNBHQVRGKA-SJLPKXTDSA-N 362.470 1.669 0 40 FDAB Cc1c(S(=O)(=O)N2CCSC[C@H]2CO)cnn1-c1ccc(F)cc1 95461960 HJHRIPKULQXKLT-CQSZACIVSA-N 371.459 1.418 0 40 FDAB COc1ccccc1OCc1nn2c(CN3CCOCC3)nnc2s1 36359038 AYZXHITWASHXOW-UHFFFAOYSA-N 361.427 1.606 0 40 FDAB CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 68191741 SWWSWLWLYZUWEH-GFCCVEGCSA-N 359.879 1.171 0 40 FDAB CN(C)C(=O)NC[C@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 306129610 IIBYODKAMQZVRQ-IAOVAPTHSA-N 367.877 1.937 0 40 FDAB CC(C)(C)OC(=O)N1CCc2c(sc3ncn(CCO)c(=O)c23)C1 39319947 CXNWQVMMTBRCQN-UHFFFAOYSA-N 351.428 1.744 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)c1 72378816 MRLRFYLVCRMVMJ-CQSZACIVSA-N 372.454 1.569 0 40 FDAB O=C(CNC(=O)c1ccccc1F)Nc1cccc(N2C(=O)CNC2=O)c1 31536296 UNKJDHDZAKKOHN-UHFFFAOYSA-N 370.340 1.250 0 40 FDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ncccc3[nH]2)cc1 79481118 HNSKTXXYCMNOSI-UHFFFAOYSA-N 373.438 1.780 0 40 FDAB CCOc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224341297 QWLYXHWZXVCKII-UHFFFAOYSA-N 365.459 1.808 0 40 FDAB C[C@@H](NS(=O)(=O)c1ccc(Nc2cc(Cl)ncn2)cc1)C(=O)O 226105376 WYPBMBLXWMVYFW-MRVPVSSYSA-N 356.791 1.625 0 40 FDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)n1 49550511 CKRQUHNWQKSCQZ-XBFCOCLRSA-N 352.398 1.144 0 40 FDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(Cc2ccccc2)s1 48232268 JIXYNOPDWJTLRA-GFCCVEGCSA-N 366.468 1.491 0 40 FDAB COc1cc(OC)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226013993 JNUXRBOJWNKCCL-UHFFFAOYSA-N 362.411 1.752 0 40 FDAB O=C(NCCn1cnc2ccc(F)cc2c1=O)[C@H]1COc2ccccc2O1 95475603 DILCLPZBVNYDQJ-QGZVFWFLSA-N 369.352 1.492 0 40 FDAB O=S(=O)(c1cccnc1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107487 YDZBEHLEPCBPPR-RDJZCZTQSA-N 352.456 1.820 0 40 FDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1 96229083 WBJUYFSPNNACQS-MRXNPFEDSA-N 357.451 1.489 0 40 FDAB CCc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)nn1 579326467 PJDLJEBYKNXQGG-CYBMUJFWSA-N 367.413 1.673 0 40 FDAB Cn1ccc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)n1 248151566 UJSDHTKWPUPEKD-CQSZACIVSA-N 351.472 1.563 0 40 FDAB Cn1nccc1C(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 248064786 VSMGJONSGFRFIJ-AWEZNQCLSA-N 351.472 1.563 0 40 FDAB CN1CCC(N2CC[C@H](c3ccnc4c(C(=O)N(C)C)cnn34)C2)CC1 257288153 PTCIQNCNKODYMC-AWEZNQCLSA-N 356.474 1.315 0 40 FDAB Cc1cnc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 257307469 SYSVGCNRFRICCH-OAHLLOKOSA-N 351.410 1.764 0 40 FDAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cc(-c4nccn4C)ncn3)C2)n1 257279456 OGTDQGMZHKLVEO-ZDUSSCGKSA-N 351.414 1.315 0 40 FDAB O=S(=O)(c1ccc(F)cc1)N1CCOC[C@@H]1CCc1cnccn1 257239897 HRHFWKQOZRTBBG-HNNXBMFYSA-N 351.403 1.638 0 40 FDAB CC(=O)N1CC2(CCN(C(=O)CCc3cccnc3)CC2)C[C@]1(C)CO 257327411 XBFHDLSZJAKOME-LJQANCHMSA-N 359.470 1.626 0 40 FDAB O=C(CCc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257306323 STURVGILDPSERY-KRWDZBQOSA-N 353.413 1.709 0 40 FDAB Cc1cc(CC[C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)ncn1 257214744 CNGLCMMFVXLFCT-GOSISDBHSA-N 357.458 1.620 0 40 FDAB O=S(=O)(NCc1ccnc([C@@H]2CCCOC2)n1)c1cccc(F)c1 257235047 GWEZCKYXAVVVBA-GFCCVEGCSA-N 351.403 1.988 0 40 FDAB CN([C@H](C(=O)NCCCN1CCCC1)c1ccccc1)S(C)(=O)=O 260839131 IWKHPPBOFPWZFI-INIZCTEOSA-N 353.488 1.221 0 40 FDAB COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](c3ccccc3)C1)CC2 281620101 TZXQQMCLEGWDJP-BZUAXINKSA-N 355.442 1.985 0 40 FDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H](N)CCO2)C1 652165982 GFYLVKFYMQRQLX-HMDCTGQHSA-N 355.479 1.108 0 40 FDAB COc1ccc2[nH]cc(CC(=O)N3CCN(Cc4nc[nH]n4)CC3)c2c1 652902847 AIARLCLKVKLUCA-UHFFFAOYSA-N 354.414 1.182 0 40 FDAB O=C(CCCS(=O)(=O)N1CCCC1)N1CCOCC12CCCCC2 654132292 KPLWGRQMPBBHIA-UHFFFAOYSA-N 358.504 1.754 0 40 FDAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1onc2c1CCCC2 667549776 WPPXXRWMPZHYNQ-UHFFFAOYSA-N 354.410 1.983 0 40 FDAB Cn1cnc2c1C[C@@H](COCc1cccnc1)N(C(=O)c1cocn1)C2 585094985 YGDLIQPDGSLTCI-AWEZNQCLSA-N 353.382 1.587 0 40 FDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1)C1CC1 585103934 DXFIVUKVDTWMCI-HNNXBMFYSA-N 368.474 1.889 0 40 FDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)c1 585274042 ZBOSDLBHLUEWLQ-GJZGRUSLSA-N 353.419 1.316 0 40 FDAB COC(=O)COc1c2ccoc2c(OCC(=O)OC)c2oc(=O)ccc12 141454633 AYLJSNKGTFZKNW-UHFFFAOYSA-N 362.290 1.643 0 40 FDAB O=C(COc1ccccc1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 12407186 FVBGMCNTBBUHHE-INIZCTEOSA-N 364.409 1.805 0 40 FDAB NC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12553922 YSEVWUGGDDPPNB-UHFFFAOYSA-N 352.394 1.963 0 40 FDAB CCc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1 12803752 BYHHHZHNIQPQBP-GOEBONIOSA-N 374.437 1.392 0 40 FDAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCc2ccccc2C1 14914243 VNDSUTMVEAVCLT-CYBMUJFWSA-N 359.451 1.719 0 40 FDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)c1 16609150 TVIRRYQRAWLBGV-UHFFFAOYSA-N 370.471 1.583 0 40 FDAB NS(=O)(=O)c1ccc(NC(=O)NCCCOC[C@@H]2CCCO2)cc1 17742891 ARDONJKRSPQDKA-ZDUSSCGKSA-N 357.432 1.041 0 40 FDAB O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCNC3)ncc2C1 19375476 XLKPGSRTXSPYIN-KXBFYZLASA-N 364.449 1.752 0 40 FDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Cl)s2)CCO1 681943496 XHYXDFRKYRUSON-SNVBAGLBSA-N 360.819 1.176 0 40 FDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCCCC1 36383852 HBQDFYXHGVBFBH-UHFFFAOYSA-N 351.472 1.005 0 40 FDAB Cc1ccc(C)c(N2C(=O)N(CC(N)=O)c3ccccc3S2(=O)=O)c1 1888999966 VWNXTLKAOLVHDN-UHFFFAOYSA-N 359.407 1.924 0 40 FDAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCN2S(C)(=O)=O)c(C)c1 25043772 IITFARAUALXJQT-CQSZACIVSA-N 367.471 1.091 0 40 FDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)Cc1cccc(F)c1)CCO2 2037985296 DXDAXXIQIOQQGE-LJQANCHMSA-N 364.417 1.233 0 40 FDAB Cc1ccc(C(=O)N2CCO[C@]3(COCCN(c4cnccn4)C3)C2)o1 1614940949 SZQRWGXGJCWKHS-SFHVURJKSA-N 358.398 1.126 0 40 FDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]21 1146922157 VITFUBXYCUWCRG-AEFFLSMTSA-N 372.425 1.882 0 40 FDAB Cc1cc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2)no1 4329615 OPVGITMHYUISNF-UHFFFAOYSA-N 352.397 1.825 0 40 FDAB Cc1cccc2sc(N(CCN(C)C)C(=O)CN3C(=O)CCC3=O)nc12 5115495 IIMXFTDJSFMDMW-UHFFFAOYSA-N 374.466 1.648 0 40 FDAB COCCNC(=O)Cn1c(CO)cnc1SCc1ccccc1F 9827561 INFVJQSUPOSZJW-UHFFFAOYSA-N 353.419 1.569 0 40 FDAB CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2 10256172 CARTVUNEWHKKKJ-HNNXBMFYSA-N 374.418 1.324 0 40 FDAB Cn1ccc2cc(C(=O)N3C[C@H]4ON=C(C(=O)N5CCCC5)[C@H]4C3)ccc21 2055713829 PHMUOYRIGPVYAN-DOTOQJQBSA-N 366.421 1.628 0 40 FDAB Cc1cccc(OC[C@H]2CCCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)n1 1775972259 VVBLXVVMUOPPDJ-KRWDZBQOSA-N 370.453 1.881 0 40 FDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)cc1 23106916 DXFCVWZTBNRVNZ-OAHLLOKOSA-N 358.398 1.111 0 40 FDAB COCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccc(OC)cc2)c1N 19592807 LWPMHLFFXOSZPH-HNNXBMFYSA-N 358.398 1.283 0 40 FDAB O=C(c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)N1CCOCC1 100568479 TXEAKGNGVYRGGV-OTRWWLKZSA-N 352.390 1.471 0 40 FDAB Cc1nc2nc(SCCn3nc4ccccn4c3=O)nn2c(C)c1C 32938030 QWXVCIGWLRBYEG-UHFFFAOYSA-N 355.427 1.651 0 40 FDAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccn1 32935611 MEHSQMGHVLMRKN-UHFFFAOYSA-N 367.858 1.813 0 40 FDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 814680 VLTWDQWVLHZYQQ-UHFFFAOYSA-N 364.379 1.950 0 40 FDAB